A0A5K4F0F3_SCHMA Loading...

2',3'-cyclic-nucleotide 3'-phosphodiesterase

Myelin-associated enzyme that catalyzes the phosphodiester hydrolysis of 2',3'-cyclic nucleotides to 2'-nucleotides. In the mitochondria, regulates the functioning of the mitochondrial permeability transition pore (mPTP), and thus is involved in the mechanisms of cell death, both apoptosis and necrosis. Acts as an antiviral factor by suppressing the assembly of SARS-CoV-2 virions.

AlphaFold DB , UniProt , Accession A0A5K4F0F3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 610 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	30.8	Very low	243 Å²	243	169.3 Å²	169.3	100%	1.197	83%	0.827	S	S	*	*				0	113.4	0	-79.6	174	169.3	0	0	106.2
2	V	35.5	Very low	31	Very low	142 Å²	142	170.8 Å²	170.8	86%	0.861	83%	0.83	S	S	*	*			cis	-142.8	133.3	16.8	166	0	0	0	0	107.5
3	R	26.4	Very low	30.9	Very low	222 Å²	222	166.4 Å²	166.4	84%	0.838	82%	0.819	S	S	*	*			trans	-86.7	155.9	175.5	-132.7	175.7	-175.4	174.1	0.1	107.5
4	L	28.1	Very low	30.9	Very low	143 Å²	143	163.9 Å²	163.9	75%	0.749	82%	0.819	S	S	*	*			trans	72.4	118.3	153.2	-78.8	143.4	0	0	0	119.3
5	L	34.9	Very low	30.7	Very low	141 Å²	141	160.3 Å²	160.3	74%	0.738	82%	0.815	S	S	*	*				-169.2	98.6	126.7	-94.5	153.5	0	0	0	107.6
6	R	31.3	Very low	30.5	Very low	205 Å²	205	158.7 Å²	158.7	77%	0.774	82%	0.821	S	S	*	*				88.2	107.4	107.4	-80.8	-176.3	-173.6	165.1	-4.5	112.8
7	L	28.3	Very low	30.3	Very low	166 Å²	166	163.4 Å²	163.4	87%	0.869	83%	0.826	S	S	*	*				54.6	128.9	82.7	-77.2	157.7	0	0	0	111.2
8	A	29.2	Very low	30	Very low	78 Å²	78	159.9 Å²	159.9	65%	0.645	82%	0.819	S	S	*	*			cis	-169.2	152.9	7.1	0	0	0	0	0	106.3
9	F	31.5	Very low	29.7	Very low	193 Å²	193	159.3 Å²	159.3	85%	0.846	82%	0.817	S	S	*	*			trans	-177.8	107.8	136.8	-107.5	-85.1	0	0	0	110
10	F	31.5	Very low	29.4	Very low	186 Å²	186	162.3 Å²	162.3	82%	0.816	82%	0.819	S	S	*	*			trans	73.3	107.8	148.1	-85.3	-104.8	0	0	0	123.3
11	N	29.3	Very low	29.2	Very low	143 Å²	143	159.2 Å²	159.2	77%	0.765	81%	0.809	S	S	*	*			trans	-58	132.4	152.7	-67.9	-47	0	0	0	112.4
12	H	32.7	Very low	28.6	Very low	187 Å²	187	156.5 Å²	156.5	87%	0.866	79%	0.793	S	S	*	*				-164.4	117.3	109.2	-121.7	-76.4	0	0	0	111.2
13	V	29.7	Very low	28.2	Very low	114 Å²	114	158.9 Å²	158.9	69%	0.691	79%	0.792	S	S	*	*			trans	-69.8	140	172.4	176	0	0	0	0	107.7
14	T	31.5	Very low	27.9	Very low	132 Å²	132	157 Å²	157	81%	0.81	79%	0.793	S	S	*	*				-165.9	125.3	90.6	38.7	0	0	0	0	114.9
15	S	26.8	Very low	27.8	Very low	110 Å²	110	156 Å²	156	77%	0.769	79%	0.792	S	S	*	*			trans	71.5	93.4	138.6	-168	0	0	0	0	120.7
16	C	27.9	Very low	27.4	Very low	134 Å²	134	153.6 Å²	153.6	91%	0.905	79%	0.787	S	S	*	*				-144.7	94.6	127.6	-120.3	0	0	0	0	108.9	S18	C16-S18 PolarHBondContact O-N 2.97Å
17	R	26.8	Very low	27.1	Very low	238 Å²	238	154 Å²	154	90%	0.898	79%	0.789	S	S	*	*			trans	-61.6	121.5	170.4	-90	-179.9	167.9	177.2	-3.8	108.9	L19	R17-L19 PolarHBondContact O-N 3.46Å
18	S	25	Very low	27.2	Very low	102 Å²	102	156.8 Å²	156.8	71%	0.713	79%	0.789	S	S	*	*			trans	-63.3	107.1	166.5	-169.9	0	0	0	0	108.9	C16	C16-S18 PolarHBondContact O-N 2.97Å
19	L	25.2	Very low	27.2	Very low	148 Å²	148	161 Å²	161	78%	0.775	80%	0.8	S	S	*	*			trans	-95.6	106.9	161	-106.2	108.3	0	0	0	107.8	R17 V21	R17-L19 PolarHBondContact O-N 3.46Å; L19-V21 HydrophobicContact CD2-CG2 4.31Å; L19-V21 PolarHBondContact O-N 3.19Å
20	Y	23.5	Very low	27.2	Very low	218 Å²	218	159.5 Å²	159.5	86%	0.855	80%	0.8	S	S	*	*			trans	-62	117.7	158.4	-91.6	-104.2	0	0	0	108
21	V	25.4	Very low	27.2	Very low	99 Å²	99	156.7 Å²	156.7	60%	0.6	80%	0.8	S	S	*	*			trans	-133.3	114.6	159.9	-175.4	0	0	0	0	107.6	L19 F23	L19-V21 HydrophobicContact CD2-CG2 4.31Å; L19-V21 PolarHBondContact O-N 3.19Å; V21-F23 HydrophobicContact CG1-CD2 3.6Å; V21-F23 HydrophobicContact CG1-CE2 3.48Å; V21-F23 VanDerWaalsContact CG1-CE2 3.48Å
22	Q	21.3	Very low	27.1	Very low	186 Å²	186	159.5 Å²	159.5	87%	0.869	81%	0.806	S	S	*	*			trans	-78.3	118.5	177.4	-171.4	169.3	-16.6	0	0	107.5
23	F	25.6	Very low	27.2	Very low	192 Å²	192	160.9 Å²	160.9	84%	0.842	81%	0.809	S	S	*	*			trans	-132.1	121.6	165	-89.6	-74.1	0	0	0	110.7	V21	V21-F23 HydrophobicContact CG1-CD2 3.6Å; V21-F23 HydrophobicContact CG1-CE2 3.48Å; V21-F23 VanDerWaalsContact CG1-CE2 3.48Å
24	E	20.7	Very low	27.3	Very low	182 Å²	182	165 Å²	165	85%	0.85	82%	0.818	S	S	*	*			trans	-78.8	170.9	174.2	-165.4	165.6	-162	0	0	109.9
25	V	26.5	Very low	27.1	Very low	123 Å²	123	164.7 Å²	164.7	75%	0.745	82%	0.818	S	S	*	*			trans	106.3	90	160.1	-169.3	0	0	0	0	117.3
26	S	25.3	Very low	27.4	Very low	90 Å²	90	168.1 Å²	168.1	63%	0.629	83%	0.827	S	S	*	*				94.5	124.9	114.8	-72.5	0	0	0	0	123.8
27	R	25.7	Very low	27.5	Very low	214 Å²	214	172.9 Å²	172.9	81%	0.808	83%	0.826	S	S	*	*			trans	85.4	101	134.8	-70.8	170.4	-166	-161.5	5.1	118.6
28	Y	30.9	Very low	27.6	Very low	223 Å²	223	166.8 Å²	166.8	88%	0.875	82%	0.82	S	S	*	*			trans	-125.4	127.3	132.9	-84.6	-81.1	0	0	0	110.7
29	L	27.5	Very low	27.9	Very low	167 Å²	167	166.9 Å²	166.9	87%	0.874	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.5	128.9	-176.2	-70.8	152.3	0	0	0	110.7
30	L	31.5	Very low	28	Very low	162 Å²	162	167.3 Å²	167.3	85%	0.848	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-100.8	135.6	158	-77.4	167.7	0	0	0	109
31	P	32.5	Very low	28.3	Very low	126 Å²	126	162.3 Å²	162.3	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.3	128.2	178	29.6	-30	0	0	0	111.1
32	K	26.9	Very low	28.3	Very low	203 Å²	203	162.7 Å²	162.7	88%	0.883	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-65.3	135	174.3	-66.5	-179.3	174.9	-179.1	0	111.8
33	K	35	Very low	28.6	Very low	215 Å²	215	160.1 Å²	160.1	94%	0.935	82%	0.824	S	S	*	*			trans	-124	138.2	149.7	-90.9	-172	176.3	-179.4	0	110.4
34	K	31.6	Very low	28.6	Very low	202 Å²	202	158.2 Å²	158.2	88%	0.878	82%	0.821	S	S	*	*			trans	-71.8	156.4	-162.2	-69.7	173.3	173.3	177.7	0	114.4
35	P	28.3	Very low	28.9	Very low	124 Å²	124	156.8 Å²	156.8	81%	0.805	82%	0.819	S	S	*	*			trans	-90.9	151.8	170.7	36.7	-30.5	0	0	0	111.8
36	L	32.2	Very low	28.8	Very low	183 Å²	183	156.2 Å²	156.2	96%	0.958	82%	0.821	S	S	*	*			trans	-122.9	136.5	163.7	-92.6	157.7	0	0	0	109.4
37	R	29.3	Very low	28.9	Very low	233 Å²	233	161.1 Å²	161.1	88%	0.879	84%	0.836	S	S	*	*			trans	-84.1	161.2	-165.8	-81	176.4	163.8	177.9	-5.3	114.2
38	S	30	Very low	28.9	Very low	111 Å²	111	154.4 Å²	154.4	78%	0.776	83%	0.834	S	S	*	*			trans	67.3	140.6	145.4	55.6	0	0	0	0	117.8
39	S	31.5	Very low	28.6	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	83%	0.833	S	S	*	*			cis	-173	149.1	13.2	29.8	0	0	0	0	109.3
40	N	26.8	Very low	28.5	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	83%	0.828	S	S	*	*			trans	16.9	121	150.6	-62.1	-12.9	0	0	0	119.7
41	S	29.1	Very low	28.1	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	83%	0.83	S	S	*	*				165.4	144.4	93.5	52.9	0	0	0	0	111.3
42	S	25.5	Very low	27.9	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	83%	0.825	S	S	*	*			trans	-11.7	135.9	165.3	54.1	0	0	0	0	118.3
43	V	28.6	Very low	28	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	81%	0.809	S	S	*	*				180	135.3	104	156.3	0	0	0	0	109.2
44	I	25.6	Very low	27.7	Very low	152 Å²	152	139.1 Å²	139.1	78%	0.779	78%	0.783	S	S	*	*			trans	-44.5	128.6	171.1	-64.8	154.1	0	0	0	111.5
45	N	27.4	Very low	27.6	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	76%	0.755	S	S	*	*			trans	-170.5	141.7	138.3	-95.9	-25.1	0	0	0	113	M47	N45-M47 PolarHBondContact O-N 3.45Å
46	S	24.2	Very low	27.7	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	73%	0.731	S	S	*	*			trans	-57.5	119.5	-178.5	58.3	0	0	0	0	114.4
47	M	26.4	Very low	27.7	Very low	193 Å²	193	126.9 Å²	126.9	95%	0.951	72%	0.719	S	S	*	*			trans	-155.3	122.7	148.1	-65.1	-169.6	87.8	0	0	104.1	N45	N45-M47 PolarHBondContact O-N 3.45Å
48	G	26.2	Very low	27.9	Very low	74 Å²	74	119.6 Å²	119.6	76%	0.763	70%	0.703	S	S	*	*				130	111	53.4	0	0	0	0	0	105.2
49	N	24.6	Very low	28.1	Very low	159 Å²	159	119.7 Å²	119.7	85%	0.85	70%	0.699	S	S	*	*			trans	-32.5	135.3	175.3	-62.5	-42.5	0	0	0	114.7
50	I	24.8	Very low	28.2	Very low	152 Å²	152	117.6 Å²	117.6	78%	0.779	68%	0.684	S	S	*	*			trans	174.3	92.7	134.1	-83.7	147.9	0	0	0	106.8
51	C	24.6	Very low	28.6	Very low	132 Å²	132	115.6 Å²	115.6	89%	0.892	67%	0.665	S	S	*	*			trans	-143.2	73.4	163	-87	0	0	0	0	106.7	F53	C51-F53 PolarHBondContact O-N 3.49Å
52	N	27.8	Very low	28.5	Very low	132 Å²	132	114.8 Å²	114.8	71%	0.706	66%	0.658	S	S	*	*			trans	-85.7	113.9	-176.4	-84.2	-14.9	0	0	0	111.7
53	F	28.2	Very low	28.6	Very low	125 Å²	125	117.3 Å²	117.3	55%	0.548	66%	0.663	S	S	.	*			trans	53.2	99.2	136.6	-68	-89.3	0	0	0	119.7	C51	C51-F53 PolarHBondContact O-N 3.49Å
54	L	29.3	Very low	28.6	Very low	75 Å²	75	115.6 Å²	115.6	39%	0.393	66%	0.656	S	S	.	*	S	Bend	trans	-128.1	21.9	152.1	-76.6	176.1	0	0	0	112.8	F171 W265	L54-F171 HydrophobicContact CD2-CD2 3.96Å; L54-F171 HydrophobicContact CD2-CE2 3.95Å; L54-F171 HydrophobicContact CD2-CG 4.37Å; L54-F171 HydrophobicContact CD2-CZ 4.35Å; L54-W265 HydrophobicContact CD1-CH2 4.05Å; L54-W265 HydrophobicContact CD1-CZ2 3.91Å
55	C	29.3	Very low	28.6	Very low	41 Å²	41	115.1 Å²	115.1	28%	0.277	66%	0.661	S	S	.	*	S	Bend	trans	-145.3	125.7	171.9	-158.3	0	0	0	0	108.7	K57 V277	C55-K57 PolarHBondContact O-N 3.06Å; C55-V277 HydrophobicContact CB-CG1 3.76Å
56	P	31.5	Very low	28.7	Very low	46 Å²	46	112.7 Å²	112.7	30%	0.299	66%	0.656	S	S	.	*			trans	-61.6	135.8	168.2	-13.4	27.1	0	0	0	108.7	S58	P56-S58 PolarHBondContact O-N 2.69Å
57	K	31.3	Very low	29	Very low	165 Å²	165	116.1 Å²	116.1	72%	0.717	66%	0.659	S	S	*	*			trans	-63.8	122.3	167.2	-68.9	-177.5	176.6	-176.9	0	107.9	C55 V59	C55-K57 PolarHBondContact O-N 3.06Å; K57-V59 PolarHBondContact O-N 2.77Å
58	S	34.4	Very low	29.2	Very low	79 Å²	79	114.7 Å²	114.7	55%	0.552	66%	0.655	S	S	*	*			trans	23.8	94.7	158.1	57.6	0	0	0	0	115.8	P56	P56-S58 PolarHBondContact O-N 2.69Å
59	V	33.2	Very low	29.3	Very low	113 Å²	113	118.3 Å²	118.3	69%	0.685	66%	0.657	S	S	*	*			trans	-103.9	111.2	158.4	-179.5	0	0	0	0	107	K57 R61	K57-V59 PolarHBondContact O-N 2.77Å; V59-R61 PolarHBondContact O-N 3.12Å
60	S	33.4	Very low	29.6	Very low	60 Å²	60	113.9 Å²	113.9	42%	0.42	64%	0.642	S	S	.	*			trans	-47.7	105.7	168.7	46.6	0	0	0	0	110.3	C62	S60-C62 PolarHBondContact O-N 3.26Å
61	R	34.4	Very low	30.1	Very low	115 Å²	115	112.7 Å²	112.7	43%	0.434	64%	0.642	S	S	.	*	S	Bend	trans	-77.1	11.7	-178	-97.5	-177.2	-177.7	163.3	5.8	115.2	V59 D190	V59-R61 PolarHBondContact O-N 3.12Å; R61-D190 IonicContact NH1-OD1 2.89Å; R61-D190 PolarHBondContact NH1-OD1 3.05Å; R61-D190 IonicContact NH1-OD2 3.61Å; R61-D190 PolarHBondContact NH1-OD2 2.96Å
62	C	28.1	Very low	30.6	Very low	95 Å²	95	113.5 Å²	113.5	64%	0.642	64%	0.636	S	S	*	*			trans	-119.5	96.6	173.4	-67.1	0	0	0	0	108.5	S60	S60-C62 PolarHBondContact O-N 3.26Å
63	L	28.2	Very low	31	Very low	161 Å²	161	113.5 Å²	113.5	84%	0.843	63%	0.632	S	S	*	*			trans	-168.2	135.9	155.3	-98.5	158.4	0	0	0	109.7
64	S	28.1	Very low	31.9	Very low	96 Å²	96	109 Å²	109	67%	0.671	61%	0.614	S	S	*	*			trans	-61.8	154.9	178.7	48	0	0	0	0	113.2	S66	S64-S66 PolarHBondContact O-N 3.45Å; S64-S66 VanDerWaalsContact O-N 3.08Å
65	T	25.7	Very low	32.7	Very low	143 Å²	143	108.6 Å²	108.6	88%	0.877	62%	0.617	S	S	*	*	S	Bend	trans	-44.8	104.3	173.2	47.2	0	0	0	0	114.2
66	S	29.4	Very low	33.1	Very low	100 Å²	100	110.6 Å²	110.6	70%	0.699	63%	0.625	S	S	*	*			trans	178.9	126.7	141.5	43.7	0	0	0	0	109.6	S64	S64-S66 PolarHBondContact O-N 3.45Å; S64-S66 VanDerWaalsContact O-N 3.08Å
67	E	29.5	Very low	34	Very low	182 Å²	182	109.3 Å²	109.3	85%	0.85	62%	0.616	S	S	*	*			trans	40.8	117.2	156.1	-61.7	177	167	0	0	119.7
68	L	30.5	Very low	34.8	Very low	164 Å²	164	108.4 Å²	108.4	86%	0.859	61%	0.608	S	S	*	*			trans	-178.3	121.2	135.8	-95.6	146.8	0	0	0	113.1
69	D	28.9	Very low	35.6	Very low	149 Å²	149	107 Å²	107	80%	0.797	59%	0.594	S	S	*	*			trans	37.5	96.7	148.8	-68	-27.3	0	0	0	121
70	A	30.3	Very low	36.2	Very low	66 Å²	66	102.9 Å²	102.9	55%	0.545	57%	0.568	S	S	.	*			trans	-120.2	99	170.3	0	0	0	0	0	110.5
71	T	35.7	Very low	36.8	Very low	127 Å²	127	101.3 Å²	101.3	78%	0.779	56%	0.556	S	S	*	*	S	Bend	trans	-136.1	-6.9	178.8	48.4	0	0	0	0	117.1
72	I	36.1	Very low	37.2	Very low	150 Å²	150	99 Å²	99	77%	0.769	56%	0.563	S	S	*	*	S	Bend	trans	-132.2	-32.6	179.4	-55	179.5	0	0	0	114.2	D74	I72-D74 VanDerWaalsContact C-N 3.28Å; I72-D74 PolarHBondContact O-N 3.38Å
73	H	35.1	Very low	38	Very low	132 Å²	132	98.9 Å²	98.9	61%	0.611	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-4.1	-176.4	-149.4	-61	0	0	0	114
74	D	46.8	Very low	38.4	Very low	31 Å²	31	100 Å²	100	17%	0.166	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	-23.4	-169.7	-126	-21.4	0	0	0	113.8	I72 D76 R78	I72-D74 VanDerWaalsContact C-N 3.28Å; I72-D74 PolarHBondContact O-N 3.38Å; D74-D76 PolarHBondContact O-N 3.05Å; D74-R78 WeakPolarHBondContact O-CB 3.07Å; D74-R78 VanDerWaalsContact O-CG 3.23Å; D74-R78 WeakPolarHBondContact O-CG 3.36Å; D74-R78 PolarHBondContact O-N 3.38Å; D74-R78 VanDerWaalsContact O-N 3.11Å; D74-R78 VanDerWaalsContact OD1-CD 3.28Å; D74-R78 WeakPolarHBondContact OD1-CD 3.39Å; D74-R78 WeakPolarHBondContact OD1-CG 3.12Å; D74-R78 IonicContact OD1-CZ 3.59Å; D74-R78 VanDerWaalsContact OD1-CZ 3.3Å; D74-R78 IonicContact OD1-NE 3.94Å; D74-R78 PolarHBondContact OD1-NE 2.87Å; D74-R78 IonicContact OD1-NH2 3.3Å; D74-R78 PolarHBondContact OD1-NH2 2.89Å; D74-R78 IonicContact OD2-CZ 3.82Å; D74-R78 IonicContact OD2-NE 2.62Å; D74-R78 PolarHBondContact OD2-NE 3.21Å; D74-R78 VanDerWaalsContact OD2-NE 3.1Å; D74-R78 IonicContact OD2-NH1 3.1Å; D74-R78 PolarHBondContact OD2-NH1 3.2Å; D74-R78 IonicContact OD2-NH2 2.82Å; D74-R78 PolarHBondContact OD2-NH2 3.45Å
75	S	46.3	Very low	38.6	Very low	65 Å²	65	100.2 Å²	100.2	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-65.9	-46.8	-166.3	60	0	0	0	0	112.6	L79	S75-L79 WeakPolarHBondContact O-CB 3.46Å; S75-L79 PolarHBondContact O-N 3.28Å; S75-L79 VanDerWaalsContact O-N 3.15Å
76	D	39	Very low	38.9	Very low	84 Å²	84	98.7 Å²	98.7	45%	0.449	55%	0.554	S	S	.	*	H	α-helix	trans	-77	-33	-166.8	-71.9	2.6	0	0	0	112.5	D74	D74-D76 PolarHBondContact O-N 3.05Å
77	V	49.8	Very low	38.9	Very low	18 Å²	18	99.7 Å²	99.7	11%	0.109	56%	0.558	C	S	.	*	H	α-helix	trans	-88.9	-35	-179.6	-167.1	0	0	0	0	111.6	L79 L80 I178	V77-L79 VanDerWaalsContact C-N 3.28Å; V77-L79 PolarHBondContact O-N 2.92Å; V77-L80 WeakPolarHBondContact O-CB 3.03Å; V77-L80 PolarHBondContact O-N 3.06Å; V77-I178 HydrophobicContact CB-CD1 3.43Å; V77-I178 VanDerWaalsContact CB-CD1 3.43Å; V77-I178 HydrophobicContact CG1-CB 4.25Å; V77-I178 HydrophobicContact CG1-CD1 3.24Å; V77-I178 HydrophobicContact CG1-CG1 4.28Å; V77-I178 HydrophobicContact CG1-CG2 4.41Å; V77-I178 HydrophobicContact CG2-CD1 4.37Å
78	R	47.7	Very low	39	Very low	147 Å²	147	96.5 Å²	96.5	56%	0.555	55%	0.551	S	S	*	*	H	α-helix	trans	-62.7	-34.4	170.7	-73.7	-174.3	178	179.8	3.6	112.5	D74 L80 C81 A82 I178	D74-R78 WeakPolarHBondContact O-CB 3.07Å; D74-R78 VanDerWaalsContact O-CG 3.23Å; D74-R78 WeakPolarHBondContact O-CG 3.36Å; D74-R78 PolarHBondContact O-N 3.38Å; D74-R78 VanDerWaalsContact O-N 3.11Å; D74-R78 VanDerWaalsContact OD1-CD 3.28Å; D74-R78 WeakPolarHBondContact OD1-CD 3.39Å; D74-R78 WeakPolarHBondContact OD1-CG 3.12Å; D74-R78 IonicContact OD1-CZ 3.59Å; D74-R78 VanDerWaalsContact OD1-CZ 3.3Å; D74-R78 IonicContact OD1-NE 3.94Å; D74-R78 PolarHBondContact OD1-NE 2.87Å; D74-R78 IonicContact OD1-NH2 3.3Å; D74-R78 PolarHBondContact OD1-NH2 2.89Å; D74-R78 IonicContact OD2-CZ 3.82Å; D74-R78 IonicContact OD2-NE 2.62Å; D74-R78 PolarHBondContact OD2-NE 3.21Å; D74-R78 VanDerWaalsContact OD2-NE 3.1Å; D74-R78 IonicContact OD2-NH1 3.1Å; D74-R78 PolarHBondContact OD2-NH1 3.2Å; D74-R78 IonicContact OD2-NH2 2.82Å; D74-R78 PolarHBondContact OD2-NH2 3.45Å; R78-L80 PolarHBondContact O-N 3.1Å; R78-L80 VanDerWaalsContact O-N 3.1Å; R78-C81 PolarHBondContact O-N 3.42Å; R78-C81 VanDerWaalsContact O-N 3.14Å; R78-A82 PolarHBondContact O-N 2.93Å; R78-I178 HydrophobicContact CG-CG2 4.17Å
79	L	50.5	Low	39	Very low	48 Å²	48	94.4 Å²	94.4	25%	0.251	55%	0.547	S	S	.	.	H	α-helix	trans	-61.1	-19	177.8	-126	86.2	0	0	0	114.1	S75 V77 L128	S75-L79 WeakPolarHBondContact O-CB 3.46Å; S75-L79 PolarHBondContact O-N 3.28Å; S75-L79 VanDerWaalsContact O-N 3.15Å; V77-L79 VanDerWaalsContact C-N 3.28Å; V77-L79 PolarHBondContact O-N 2.92Å; L79-L128 HydrophobicContact CD1-CG 4.4Å; L79-L128 HydrophobicContact CD2-CB 3.74Å; L79-L128 HydrophobicContact CD2-CD2 3.98Å; L79-L128 HydrophobicContact CD2-CG 3.92Å; L79-L128 HydrophobicContact CG-CB 4.39Å; L79-L128 HydrophobicContact CG-CD2 3.77Å; L79-L128 HydrophobicContact CG-CG 4Å
80	L	47.1	Very low	39.2	Very low	27 Å²	27	93.4 Å²	93.4	14%	0.141	55%	0.546	C	S	.	.	H	α-helix	trans	-86.1	-21.5	-178.6	-65.3	165.2	0	0	0	112.3	V77 R78 I134 K135 V138	V77-L80 WeakPolarHBondContact O-CB 3.03Å; V77-L80 PolarHBondContact O-N 3.06Å; R78-L80 PolarHBondContact O-N 3.1Å; R78-L80 VanDerWaalsContact O-N 3.1Å; L80-I134 HydrophobicContact CD1-CG2 4.27Å; L80-K135 HydrophobicContact CD2-CB 3.97Å; L80-K135 HydrophobicContact CD2-CD 3.89Å; L80-K135 HydrophobicContact CD2-CG 3.56Å; L80-V138 HydrophobicContact CD1-CG2 4.12Å; L80-V138 HydrophobicContact CD2-CG2 4.09Å
81	C	45.8	Very low	39.4	Very low	27 Å²	27	99.2 Å²	99.2	18%	0.182	56%	0.562	C	S	.	*	H	α-helix	trans	-103.6	-8.5	-173.7	-61.1	0	0	0	0	113.9	R78 N83 I178	R78-C81 PolarHBondContact O-N 3.42Å; R78-C81 VanDerWaalsContact O-N 3.14Å; C81-N83 PolarHBondContact O-N 3.39Å; C81-I178 HydrophobicContact CB-CG2 4.41Å
82	A	43.5	Very low	39	Very low	68 Å²	68	100.4 Å²	100.4	56%	0.562	56%	0.564	S	S	*	*			trans	-92.7	80.9	177.6	0	0	0	0	0	111.4	R78	R78-A82 PolarHBondContact O-N 2.93Å
83	N	43.3	Very low	39	Very low	92 Å²	92	98.5 Å²	98.5	49%	0.492	56%	0.563	S	S	.	*			trans	-108.2	93.7	163	-77.9	-26	0	0	0	108.7	C81 N146	C81-N83 PolarHBondContact O-N 3.39Å; N83-N146 PolarHBondContact O-ND2 3.23Å
84	E	37.2	Very low	38.8	Very low	184 Å²	184	99.6 Å²	99.6	86%	0.86	57%	0.574	S	S	*	*			trans	-98.1	115.8	159.1	-77.2	-173.2	164.4	0	0	108.4
85	A	33.2	Very low	38.1	Very low	101 Å²	101	105.9 Å²	105.9	84%	0.835	60%	0.602	S	S	*	*			trans	-92.7	97.7	167.9	0	0	0	0	0	108.3
86	V	31.1	Very low	37.4	Very low	110 Å²	110	110.5 Å²	110.5	67%	0.667	62%	0.616	S	S	*	*			trans	-80.5	124.6	163.6	179.5	0	0	0	0	107.7	V88	V86-V88 PolarHBondContact O-N 2.7Å
87	P	30.3	Very low	37.1	Very low	121 Å²	121	111.8 Å²	111.8	79%	0.786	63%	0.627	S	S	*	*			trans	-78.6	111.6	172.5	10.4	3.5	0	0	0	109.4
88	V	30.4	Very low	36	Very low	116 Å²	116	117 Å²	117	70%	0.703	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-88.7	132.2	166.5	-176.4	0	0	0	0	108.4	V86	V86-V88 PolarHBondContact O-N 2.7Å
89	P	31.8	Very low	35.2	Very low	119 Å²	119	114.1 Å²	114.1	77%	0.773	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-73.3	131.7	174.6	1.8	14.2	0	0	0	109.9
90	V	32.5	Very low	34.1	Very low	128 Å²	128	118.3 Å²	118.3	78%	0.776	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-91.5	117.1	172.4	178.3	0	0	0	0	108.5
91	E	33.8	Very low	33.3	Very low	189 Å²	189	122.5 Å²	122.5	88%	0.883	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-82.2	133.5	160	-75.8	-176.2	159.6	0	0	109.3
92	N	28	Very low	32.5	Very low	152 Å²	152	129.3 Å²	129.3	81%	0.813	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-79.8	135	178.5	-71.6	-30.3	0	0	0	111.2
93	S	35	Very low	32.1	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	76%	0.757	S	S	*	*			trans	-177.8	99.4	132.7	55.4	0	0	0	0	110.8
94	D	30.7	Very low	31.6	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	77%	0.765	S	S	*	*				41.6	137	125.2	-69.6	-26	0	0	0	123.5
95	E	32	Very low	31.3	Very low	163 Å²	163	134 Å²	134	76%	0.762	76%	0.757	S	S	*	*			trans	102	108.2	147.5	-73.2	-176.7	-179.6	0	0	122.1
96	H	33.6	Very low	31.1	Very low	162 Å²	162	135 Å²	135	75%	0.75	75%	0.753	S	S	*	*			trans	62.1	144.9	133.3	-64.2	-58.5	0	0	0	120.6
97	V	31.3	Very low	31.2	Very low	111 Å²	111	134.1 Å²	134.1	67%	0.673	75%	0.752	S	S	*	*			cis	-169.8	142.1	-2.7	137.5	0	0	0	0	106.8
98	T	26.4	Very low	31.4	Very low	126 Å²	126	137.4 Å²	137.4	77%	0.773	75%	0.754	S	S	*	*			trans	5.3	137.1	161.5	61.5	0	0	0	0	123.2
99	A	31.6	Very low	31.5	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	76%	0.761	S	S	*	*				146.6	108.9	103.8	0	0	0	0	0	116.6
100	V	27.1	Very low	31.7	Very low	135 Å²	135	143 Å²	143	82%	0.818	76%	0.761	S	S	*	*			trans	44.4	134.4	130.6	-145.8	0	0	0	0	124
101	V	31.2	Very low	31.7	Very low	115 Å²	115	143.5 Å²	143.5	70%	0.697	76%	0.755	S	S	*	*			trans	121.4	112.6	135.7	-172.6	0	0	0	0	117
102	H	29.5	Very low	31.7	Very low	171 Å²	171	142.1 Å²	142.1	79%	0.792	75%	0.746	S	S	*	*			trans	18.3	143	141.7	-64.7	-69.8	0	0	0	120.6
103	K	34.5	Very low	32.1	Very low	164 Å²	164	139.5 Å²	139.5	71%	0.713	74%	0.74	S	S	*	*			cis	177.3	151.3	49.7	-138.1	175.7	-179	-163.4	0	109.2
104	E	32.4	Very low	32	Very low	145 Å²	145	141.1 Å²	141.1	68%	0.678	74%	0.74	S	S	*	*			trans	39.7	150.1	142.2	-72.5	171.6	151.2	0	0	121.3
105	L	31.1	Very low	32.1	Very low	132 Å²	132	140.4 Å²	140.4	69%	0.691	74%	0.736	S	S	*	*			cis	-177	133.8	-1.6	-105.8	155.8	0	0	0	105.9
106	V	29.8	Very low	32.1	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	73%	0.734	S	S	*	*				55.6	134.1	129.4	171.4	0	0	0	0	118.7
107	S	32.2	Very low	32	Very low	91 Å²	91	136 Å²	136	64%	0.636	74%	0.736	S	S	*	*			cis	-179.7	172.8	7.7	52.9	0	0	0	0	111.5
108	K	35.5	Very low	32.2	Very low	189 Å²	189	138.9 Å²	138.9	82%	0.822	74%	0.742	S	S	*	*			trans	96.5	95.3	148.7	-73.8	177.1	-179.7	-178.7	0	120.8
109	H	32.3	Very low	32.3	Very low	183 Å²	183	140.9 Å²	140.9	85%	0.847	75%	0.748	S	S	*	*				4.1	139	129.9	-68.8	-68.7	0	0	0	121.4
110	Q	34.9	Very low	32.4	Very low	169 Å²	169	144.2 Å²	144.2	79%	0.79	75%	0.749	S	S	*	*				-168.7	119.2	113.1	-103.2	173.3	-12.8	0	0	109.5
111	E	32.8	Very low	32.5	Very low	139 Å²	139	146.6 Å²	146.6	65%	0.65	76%	0.756	S	S	*	*				72.1	133.6	105.6	-74	-168.6	177.1	0	0	113.7
112	K	34.5	Very low	32.4	Very low	160 Å²	160	149.4 Å²	149.4	70%	0.696	76%	0.759	S	S	*	*			cis	-173.5	155	23.7	-119.2	163.2	-177.3	148.6	0	110.1
113	S	35.3	Very low	32.3	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	76%	0.76	S	S	*	*			trans	61.6	141.2	148.3	59.5	0	0	0	0	120.2
114	N	32.9	Very low	31.9	Very low	143 Å²	143	145 Å²	145	77%	0.765	76%	0.757	S	S	*	*			cis	-169	160.7	7.8	-104.4	-7.9	0	0	0	109.6
115	N	33.9	Very low	31.6	Very low	141 Å²	141	143.6 Å²	143.6	75%	0.754	76%	0.763	S	S	*	*			trans	101.7	110.3	152.2	-64.9	-11.2	0	0	0	121.2
116	S	30.5	Very low	31.5	Very low	101 Å²	101	146.4 Å²	146.4	71%	0.706	77%	0.766	S	S	*	*			trans	59.3	112.2	138.3	63.6	0	0	0	0	119.4
117	T	31.5	Very low	31.6	Very low	131 Å²	131	145.3 Å²	145.3	80%	0.804	76%	0.763	S	S	*	*				166.5	144.1	123.5	34.1	0	0	0	0	112.3
118	H	36.7	Very low	31.6	Very low	173 Å²	173	146 Å²	146	80%	0.801	76%	0.759	S	S	*	*			trans	68.1	109.3	159.1	-85.5	-77.4	0	0	0	120.5	Q120	H118-Q120 PolarHBondContact O-N 3.34Å; H118-Q120 VanDerWaalsContact O-N 3.1Å
119	D	28.9	Very low	31.8	Very low	168 Å²	168	145.2 Å²	145.2	90%	0.898	76%	0.759	S	S	*	*			trans	-51.6	106.5	159.8	-77.1	-43.3	0	0	0	111.4
120	Q	33.1	Very low	32.7	Very low	158 Å²	158	137.1 Å²	137.1	74%	0.738	72%	0.724	S	S	*	*			trans	-126.4	102.2	159.4	-75.4	-170.5	-2.1	0	0	107.8	H118 K122	H118-Q120 PolarHBondContact O-N 3.34Å; H118-Q120 VanDerWaalsContact O-N 3.1Å; Q120-K122 VanDerWaalsContact C-N 3.31Å; Q120-K122 PolarHBondContact O-N 2.92Å
121	L	29.7	Very low	33.6	Very low	185 Å²	185	132.3 Å²	132.3	97%	0.969	71%	0.708	S	S	*	*			trans	-64.4	90.6	167.1	-78.6	159.2	0	0	0	108.9	S123	L121-S123 PolarHBondContact O-N 3.3Å
122	K	29.1	Very low	34.8	Very low	174 Å²	174	134 Å²	134	76%	0.757	71%	0.713	S	S	*	*			trans	-72.6	116.5	168	-81.7	-179.6	176.7	175.8	0	109.1	Q120 I124	Q120-K122 VanDerWaalsContact C-N 3.31Å; Q120-K122 PolarHBondContact O-N 2.92Å; K122-I124 PolarHBondContact O-N 3.36Å
123	S	26.8	Very low	36	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	70%	0.702	S	S	*	*			trans	-53.8	116.9	170.3	55.6	0	0	0	0	111.3	L121 S125	L121-S123 PolarHBondContact O-N 3.3Å; S123-S125 PolarHBondContact O-N 2.93Å
124	I	25.8	Very low	37.3	Very low	124 Å²	124	127.5 Å²	127.5	64%	0.636	68%	0.68	S	S	*	*			trans	-84.8	108.1	168.6	-62.3	172.1	0	0	0	107.5	K122 Y126	K122-I124 PolarHBondContact O-N 3.36Å; I124-Y126 HydrophobicContact CB-CE2 4.19Å; I124-Y126 HydrophobicContact CG2-CD1 4.48Å; I124-Y126 HydrophobicContact CG2-CD2 3.99Å; I124-Y126 HydrophobicContact CG2-CE1 4.08Å; I124-Y126 HydrophobicContact CG2-CE2 3.53Å; I124-Y126 HydrophobicContact CG2-CG 4.45Å
125	S	26.8	Very low	39.1	Very low	116 Å²	116	123.8 Å²	123.8	81%	0.811	66%	0.657	S	S	*	*			trans	-79.8	114.7	169.3	59.3	0	0	0	0	109.8	S123	S123-S125 PolarHBondContact O-N 2.93Å
126	Y	29	Very low	41.1	Very low	191 Å²	191	122 Å²	122	75%	0.749	65%	0.645	S	S	*	*			trans	-89.1	124.9	171.8	-70	-82.7	0	0	0	110.6	I124	I124-Y126 HydrophobicContact CB-CE2 4.19Å; I124-Y126 HydrophobicContact CG2-CD1 4.48Å; I124-Y126 HydrophobicContact CG2-CD2 3.99Å; I124-Y126 HydrophobicContact CG2-CE1 4.08Å; I124-Y126 HydrophobicContact CG2-CE2 3.53Å; I124-Y126 HydrophobicContact CG2-CG 4.45Å
127	S	31.7	Very low	43.7	Very low	100 Å²	100	119.7 Å²	119.7	70%	0.699	62%	0.621	S	S	*	*			trans	-78.5	125	176.2	75	0	0	0	0	111.7	Q129	S127-Q129 PolarHBondContact O-N 3.29Å
128	L	31.4	Very low	46.1	Very low	105 Å²	105	113.8 Å²	113.8	55%	0.55	59%	0.585	S	S	.	*			trans	-75.9	108.7	178	-80.7	87.9	0	0	0	112.6	L79	L79-L128 HydrophobicContact CD1-CG 4.4Å; L79-L128 HydrophobicContact CD2-CB 3.74Å; L79-L128 HydrophobicContact CD2-CD2 3.98Å; L79-L128 HydrophobicContact CD2-CG 3.92Å; L79-L128 HydrophobicContact CG-CB 4.39Å; L79-L128 HydrophobicContact CG-CD2 3.77Å; L79-L128 HydrophobicContact CG-CG 4Å
129	Q	41.2	Very low	48.5	Very low	174 Å²	174	111.4 Å²	111.4	81%	0.813	57%	0.572	S	S	*	*			trans	-136.7	73.9	173.2	-68.4	-170.8	6.4	0	0	113.7	S127	S127-Q129 PolarHBondContact O-N 3.29Å
130	G	50	Low	51.4	Low	12 Å²	12	103.5 Å²	103.5	12%	0.124	53%	0.53	C	S	.	.	S	Bend	trans	-73.8	157.2	154.2	0	0	0	0	0	110.8	K132	G130-K132 PolarHBondContact O-N 2.92Å
131	P	53	Low	54.1	Low	68 Å²	68	97.6 Å²	97.6	44%	0.442	51%	0.505	S	S	.	.			trans	-56.7	122.2	-178.4	-21.6	30.9	0	0	0	111.4	V133 I134 K135	P131-V133 PolarHBondContact O-N 3.48Å; P131-I134 HydrophobicContact CB-CD1 4.24Å; P131-I134 HydrophobicContact CB-CG1 4.29Å; P131-I134 HydrophobicContact CG-CD1 3.99Å; P131-I134 PolarHBondContact O-N 3.26Å; P131-K135 PolarHBondContact O-N 3.14Å
132	K	59.5	Low	56.9	Low	175 Å²	175	88.8 Å²	88.8	76%	0.761	46%	0.459	S	S	*	.	H	α-helix	trans	-49.6	-37.1	-179.4	-75.5	-176.2	178	179	0	112.8	G130 I134 K135 E136	G130-K132 PolarHBondContact O-N 2.92Å; K132-I134 PolarHBondContact O-N 3.09Å; K132-K135 WeakPolarHBondContact O-CB 3.31Å; K132-K135 PolarHBondContact O-N 3.41Å; K132-E136 PolarHBondContact O-N 2.95Å
133	V	58.8	Low	59.9	Low	78 Å²	78	81 Å²	81	47%	0.473	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-40.8	-178.4	-177.7	0	0	0	0	112.3	P131 E136 Y137	P131-V133 PolarHBondContact O-N 3.48Å; V133-E136 PolarHBondContact O-N 2.71Å; V133-Y137 HydrophobicContact CG1-CE1 4.41Å; V133-Y137 HydrophobicContact CG1-CE2 3.68Å; V133-Y137 VanDerWaalsContact CG1-OH 3.23Å; V133-Y137 WeakPolarHBondContact CG1-OH 3.37Å
134	I	63.7	Low	62.8	Low	42 Å²	42	78.2 Å²	78.2	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-67	-42.6	177.9	-64.3	176.7	0	0	0	109.8	L80 P131 K132 E136 Y137 F171	L80-I134 HydrophobicContact CD1-CG2 4.27Å; P131-I134 HydrophobicContact CB-CD1 4.24Å; P131-I134 HydrophobicContact CB-CG1 4.29Å; P131-I134 HydrophobicContact CG-CD1 3.99Å; P131-I134 PolarHBondContact O-N 3.26Å; K132-I134 PolarHBondContact O-N 3.09Å; I134-E136 PolarHBondContact O-N 2.91Å; I134-E136 VanDerWaalsContact O-N 3.15Å; I134-Y137 PolarHBondContact O-N 3.41Å; I134-Y137 VanDerWaalsContact O-N 3.12Å; I134-F171 HydrophobicContact CG2-CE1 4.03Å; I134-F171 HydrophobicContact CG2-CZ 3.52Å
135	K	70	Confident	65.8	Low	65 Å²	65	75.3 Å²	75.3	28%	0.283	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-31.1	179.5	-51.4	-146.7	172.5	-175.5	0	112.2	L80 P131 K132 K139	L80-K135 HydrophobicContact CD2-CB 3.97Å; L80-K135 HydrophobicContact CD2-CD 3.89Å; L80-K135 HydrophobicContact CD2-CG 3.56Å; P131-K135 PolarHBondContact O-N 3.14Å; K132-K135 WeakPolarHBondContact O-CB 3.31Å; K132-K135 PolarHBondContact O-N 3.41Å; K135-K139 WeakPolarHBondContact O-CG 3.4Å
136	E	76.8	Confident	68.8	Low	104 Å²	104	73 Å²	73	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-71.8	-33.1	179.8	-73	177.2	179	0	0	113.7	K132 V133 I134 V138	K132-E136 PolarHBondContact O-N 2.95Å; V133-E136 PolarHBondContact O-N 2.71Å; I134-E136 PolarHBondContact O-N 2.91Å; I134-E136 VanDerWaalsContact O-N 3.15Å; E136-V138 VanDerWaalsContact C-N 3.28Å; E136-V138 PolarHBondContact O-N 3.17Å
137	Y	84.1	Confident	71.7	Confident	52 Å²	52	67.2 Å²	67.2	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-81.3	-8.7	-176.7	-54.3	-25.1	0	0	0	113.9	V133 I134 F140 T263 P264 W265	V133-Y137 HydrophobicContact CG1-CE1 4.41Å; V133-Y137 HydrophobicContact CG1-CE2 3.68Å; V133-Y137 VanDerWaalsContact CG1-OH 3.23Å; V133-Y137 WeakPolarHBondContact CG1-OH 3.37Å; I134-Y137 PolarHBondContact O-N 3.41Å; I134-Y137 VanDerWaalsContact O-N 3.12Å; Y137-F140 WeakPolarHBondContact O-CE2 3.34Å; Y137-T263 HydrophobicContact CD2-CG2 4.09Å; Y137-T263 HydrophobicContact CG-CG2 4.32Å; Y137-P264 HydrophobicContact CE1-CG 3.69Å; Y137-W265 HydrophobicContact CD2-CH2 4.26Å; Y137-W265 AromaticContact CE2-CH2 3.75Å; Y137-W265 HydrophobicContact CE2-CH2 3.75Å; Y137-W265 AromaticContact CE2-CZ3 3.77Å; Y137-W265 HydrophobicContact CE2-CZ3 3.77Å
138	V	83.1	Confident	74.4	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.048	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	21.1	-179.4	-61.9	0	0	0	0	113.1	L80 E136 F140 L143 F171	L80-V138 HydrophobicContact CD1-CG2 4.12Å; L80-V138 HydrophobicContact CD2-CG2 4.09Å; E136-V138 VanDerWaalsContact C-N 3.28Å; E136-V138 PolarHBondContact O-N 3.17Å; V138-F140 PolarHBondContact O-N 2.93Å; V138-L143 HydrophobicContact CB-CD1 4.03Å; V138-F171 HydrophobicContact CG1-CD1 4.37Å; V138-F171 HydrophobicContact CG1-CE1 3.69Å
139	K	86	Confident	77.2	Confident	122 Å²	122	57.5 Å²	57.5	53%	0.53	29%	0.288	S	S	.	.			trans	-75.8	54.9	175.2	-64.2	-175.5	175.4	170	0	111.9	K135	K135-K139 WeakPolarHBondContact O-CG 3.4Å
140	F	89.7	Confident	79.4	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	26%	0.261	C	S	.	.			trans	-90.8	132.9	172.7	-64.4	-84.4	0	0	0	109.3	Y137 V138 F142 L143 T144 L172 V259 Q262 L437	Y137-F140 WeakPolarHBondContact O-CE2 3.34Å; V138-F140 PolarHBondContact O-N 2.93Å; F140-F142 HydrophobicContact CB-CD1 3.8Å; F140-F142 HydrophobicContact CB-CD2 4.22Å; F140-F142 HydrophobicContact CB-CE1 3.42Å; F140-F142 VanDerWaalsContact CB-CE1 3.42Å; F140-F142 HydrophobicContact CB-CE2 3.87Å; F140-F142 HydrophobicContact CB-CG 4.16Å; F140-F142 HydrophobicContact CB-CZ 3.43Å; F140-F142 VanDerWaalsContact CB-CZ 3.43Å; F140-F142 AromaticContact CD1-CE1 3.58Å; F140-F142 HydrophobicContact CD1-CE1 3.58Å; F140-F142 AromaticContact CD1-CZ 3.75Å; F140-F142 HydrophobicContact CD1-CZ 3.75Å; F140-F142 HydrophobicContact CD2-CZ 4.04Å; F140-F142 HydrophobicContact CG-CD1 4.49Å; F140-F142 AromaticContact CG-CE1 3.65Å; F140-F142 HydrophobicContact CG-CE1 3.65Å; F140-F142 HydrophobicContact CG-CE2 4.24Å; F140-F142 AromaticContact CG-CZ 3.47Å; F140-F142 HydrophobicContact CG-CZ 3.47Å; F140-F142 VanDerWaalsContact CG-CZ 3.47Å; F140-F142 PolarHBondContact O-N 3.37Å; F140-L143 HydrophobicContact CB-CD1 4.38Å; F140-L143 HydrophobicContact CB-CG 4.31Å; F140-L143 HydrophobicContact CD2-CD1 4.07Å; F140-L143 PolarHBondContact O-N 3.44Å; F140-T144 PolarHBondContact O-N 2.75Å; F140-T144 PolarHBondContact O-OG1 3.3Å; F140-T144 VanDerWaalsContact O-OG1 3.13Å; F140-L172 HydrophobicContact CD2-CD1 3.79Å; F140-L172 HydrophobicContact CE2-CD1 3.62Å; F140-L172 HydrophobicContact CE2-CD2 3.99Å; F140-L172 HydrophobicContact CE2-CG 4.48Å; F140-L172 HydrophobicContact CZ-CD1 4.49Å; F140-L172 HydrophobicContact CZ-CD2 4.07Å; F140-V259 HydrophobicContact CD1-CG1 4.02Å; F140-V259 HydrophobicContact CE1-CG1 3.47Å; F140-V259 VanDerWaalsContact CE1-CG1 3.47Å; F140-V259 HydrophobicContact CZ-CG1 3.81Å; F140-Q262 HydrophobicContact CE1-CG 3.94Å; F140-Q262 HydrophobicContact CE2-CG 4.47Å; F140-Q262 HydrophobicContact CZ-CB 4.31Å; F140-Q262 HydrophobicContact CZ-CG 3.66Å; F140-L437 HydrophobicContact CD1-CD1 3.84Å; F140-L437 HydrophobicContact CD1-CD2 3.99Å; F140-L437 HydrophobicContact CD1-CG 4.39Å; F140-L437 HydrophobicContact CE1-CD1 4.28Å; F140-L437 HydrophobicContact CE1-CD2 4.26Å
141	P	89.1	Confident	81.3	Confident	35 Å²	35	50.9 Å²	50.9	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-48.8	-45.4	176.3	-29.3	34.7	0	0	0	112.8	L143 T144 D145 I148 L437	P141-L143 PolarHBondContact O-N 3.37Å; P141-L143 VanDerWaalsContact O-N 3.07Å; P141-T144 PolarHBondContact O-N 3.35Å; P141-T144 VanDerWaalsContact O-N 3.11Å; P141-D145 WeakPolarHBondContact O-CB 3.34Å; P141-D145 PolarHBondContact O-N 3.49Å; P141-I148 WeakPolarHBondContact O-CG2 3.4Å; P141-L437 HydrophobicContact CG-CB 4.22Å
142	F	90.3	Very high	83.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-16.2	177.4	65	-105.8	0	0	0	115.4	F140 I152 F159 I176 F180 I257 V259 L437	F140-F142 HydrophobicContact CB-CD1 3.8Å; F140-F142 HydrophobicContact CB-CD2 4.22Å; F140-F142 HydrophobicContact CB-CE1 3.42Å; F140-F142 VanDerWaalsContact CB-CE1 3.42Å; F140-F142 HydrophobicContact CB-CE2 3.87Å; F140-F142 HydrophobicContact CB-CG 4.16Å; F140-F142 HydrophobicContact CB-CZ 3.43Å; F140-F142 VanDerWaalsContact CB-CZ 3.43Å; F140-F142 AromaticContact CD1-CE1 3.58Å; F140-F142 HydrophobicContact CD1-CE1 3.58Å; F140-F142 AromaticContact CD1-CZ 3.75Å; F140-F142 HydrophobicContact CD1-CZ 3.75Å; F140-F142 HydrophobicContact CD2-CZ 4.04Å; F140-F142 HydrophobicContact CG-CD1 4.49Å; F140-F142 AromaticContact CG-CE1 3.65Å; F140-F142 HydrophobicContact CG-CE1 3.65Å; F140-F142 HydrophobicContact CG-CE2 4.24Å; F140-F142 AromaticContact CG-CZ 3.47Å; F140-F142 HydrophobicContact CG-CZ 3.47Å; F140-F142 VanDerWaalsContact CG-CZ 3.47Å; F140-F142 PolarHBondContact O-N 3.37Å; F142-I152 HydrophobicContact CB-CD1 3.53Å; F142-F159 HydrophobicContact CB-CE1 4.14Å; F142-F159 HydrophobicContact CB-CZ 4.18Å; F142-F159 AromaticContact CD1-CE1 3.83Å; F142-F159 HydrophobicContact CD1-CE1 3.83Å; F142-F159 AromaticContact CD2-CE1 3.68Å; F142-F159 HydrophobicContact CD2-CE1 3.68Å; F142-F159 AromaticContact CD2-CZ 3.94Å; F142-F159 HydrophobicContact CD2-CZ 3.94Å; F142-F159 HydrophobicContact CE1-CE1 4.12Å; F142-F159 HydrophobicContact CE2-CE1 4Å; F142-F159 AromaticContact CG-CE1 3.63Å; F142-F159 HydrophobicContact CG-CE1 3.63Å; F142-F159 HydrophobicContact CG-CZ 4.04Å; F142-F159 HydrophobicContact CZ-CE1 4.23Å; F142-I176 HydrophobicContact CD2-CG1 4.46Å; F142-I176 HydrophobicContact CE2-CD1 4.03Å; F142-I176 HydrophobicContact CE2-CG1 3.86Å; F142-F180 WeakPolarHBondContact O-CE2 3.38Å; F142-F180 VanDerWaalsContact O-CZ 3.27Å; F142-F180 WeakPolarHBondContact O-CZ 3.32Å; F142-I257 HydrophobicContact CD1-CG2 4.4Å; F142-I257 HydrophobicContact CE1-CG2 4.38Å; F142-V259 HydrophobicContact CE1-CG1 4.18Å; F142-V259 HydrophobicContact CE1-CG2 3.84Å; F142-V259 HydrophobicContact CZ-CG1 3.99Å; F142-V259 HydrophobicContact CZ-CG2 3.95Å; F142-L437 HydrophobicContact CD1-CB 4.36Å; F142-L437 WeakPolarHBondContact CD1-O 3.33Å; F142-L437 HydrophobicContact CE1-CD2 4.27Å
143	L	91	Very high	84.5	Confident	9 Å²	9	42 Å²	42	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-98.1	-32.5	172.6	-65.8	179.1	0	0	0	112.7	V138 F140 P141 L172 C175 I176 R179	V138-L143 HydrophobicContact CB-CD1 4.03Å; F140-L143 HydrophobicContact CB-CD1 4.38Å; F140-L143 HydrophobicContact CB-CG 4.31Å; F140-L143 HydrophobicContact CD2-CD1 4.07Å; F140-L143 PolarHBondContact O-N 3.44Å; P141-L143 PolarHBondContact O-N 3.37Å; P141-L143 VanDerWaalsContact O-N 3.07Å; L143-L172 HydrophobicContact CD1-CD1 3.8Å; L143-C175 HydrophobicContact CD1-CB 4Å; L143-C175 HydrophobicContact CD2-CB 4.42Å; L143-I176 HydrophobicContact CD2-CG1 4.02Å; L143-R179 HydrophobicContact CD2-CB 4Å; L143-R179 HydrophobicContact CD2-CG 4.38Å
144	T	88.5	Confident	85.9	Confident	60 Å²	60	39.9 Å²	39.9	37%	0.368	20%	0.197	S	C	.	.	H	α-helix	trans	-103.2	-26.7	-167.3	58.6	0	0	0	0	114.7	F140 P141	F140-T144 PolarHBondContact O-N 2.75Å; F140-T144 PolarHBondContact O-OG1 3.3Å; F140-T144 VanDerWaalsContact O-OG1 3.13Å; P141-T144 PolarHBondContact O-N 3.35Å; P141-T144 VanDerWaalsContact O-N 3.11Å
145	D	88.4	Confident	87	Confident	64 Å²	64	37.9 Å²	37.9	34%	0.342	19%	0.187	S	C	.	.			trans	-98.6	123.8	-177.4	173.3	-25.4	0	0	0	109.8	P141 E147 I148 G149	P141-D145 WeakPolarHBondContact O-CB 3.34Å; P141-D145 PolarHBondContact O-N 3.49Å; D145-E147 WeakPolarHBondContact OD1-CA 3.48Å; D145-E147 WeakPolarHBondContact OD1-CB 3.34Å; D145-E147 PolarHBondContact OD1-N 2.94Å; D145-I148 HydrophobicContact CB-CG2 3.49Å; D145-I148 VanDerWaalsContact CB-CG2 3.49Å; D145-I148 WeakPolarHBondContact O-CG2 3.42Å; D145-I148 PolarHBondContact OD1-N 3.16Å; D145-I148 VanDerWaalsContact OD1-N 3.17Å; D145-G149 PolarHBondContact O-N 2.95Å
146	N	90.1	Very high	88	Confident	68 Å²	68	37.4 Å²	37.4	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-73.7	-29.7	-175.9	-72.2	-26.9	0	0	0	113.3	N83 G149 N150 R179	N83-N146 PolarHBondContact O-ND2 3.23Å; N146-G149 PolarHBondContact O-N 3.43Å; N146-N150 WeakPolarHBondContact O-CB 3.43Å; N146-N150 PolarHBondContact O-N 3.08Å; N146-R179 PolarHBondContact OD1-NH2 3.38Å
147	E	88.6	Confident	88.8	Confident	69 Å²	69	32.5 Å²	32.5	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-70.1	-46	179.3	-161.4	-169.4	164.1	0	0	110.1	D145 G149 N150 W151 L440 R603	D145-E147 WeakPolarHBondContact OD1-CA 3.48Å; D145-E147 WeakPolarHBondContact OD1-CB 3.34Å; D145-E147 PolarHBondContact OD1-N 2.94Å; E147-G149 VanDerWaalsContact C-N 3.32Å; E147-G149 PolarHBondContact O-N 3.27Å; E147-N150 PolarHBondContact O-N 3.03Å; E147-W151 WeakPolarHBondContact O-CB 3.21Å; E147-W151 PolarHBondContact O-N 2.98Å; E147-L440 HydrophobicContact CB-CD1 3.99Å; E147-L440 HydrophobicContact CG-CD1 3.6Å; E147-R603 IonicContact OE1-CZ 3.13Å; E147-R603 IonicContact OE1-NE 2.8Å; E147-R603 PolarHBondContact OE1-NE 3.16Å; E147-R603 IonicContact OE1-NH2 2.67Å; E147-R603 PolarHBondContact OE1-NH2 3.45Å; E147-R603 IonicContact OE2-CZ 3.15Å; E147-R603 IonicContact OE2-NH2 3.32Å; E147-R603 PolarHBondContact OE2-NH2 3.02Å
148	I	88.5	Confident	89.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-36.3	172.4	-177.4	61.9	0	0	0	111.7	P141 D145 N150 W151 I152 G438 L440 T605	P141-I148 WeakPolarHBondContact O-CG2 3.4Å; D145-I148 HydrophobicContact CB-CG2 3.49Å; D145-I148 VanDerWaalsContact CB-CG2 3.49Å; D145-I148 WeakPolarHBondContact O-CG2 3.42Å; D145-I148 PolarHBondContact OD1-N 3.16Å; D145-I148 VanDerWaalsContact OD1-N 3.17Å; I148-N150 PolarHBondContact O-N 2.53Å; I148-W151 HydrophobicContact CD1-CB 4.24Å; I148-W151 HydrophobicContact CD1-CG 4.43Å; I148-W151 WeakPolarHBondContact O-CB 3.5Å; I148-W151 PolarHBondContact O-N 2.82Å; I148-I152 HydrophobicContact CD1-CD1 4.1Å; I148-I152 HydrophobicContact CD1-CG1 4.03Å; I148-I152 HydrophobicContact CG1-CD1 3.72Å; I148-I152 HydrophobicContact CG1-CG1 4.15Å; I148-I152 WeakPolarHBondContact O-CB 3.31Å; I148-I152 VanDerWaalsContact O-CG1 3.28Å; I148-I152 WeakPolarHBondContact O-CG1 3.37Å; I148-I152 PolarHBondContact O-N 2.82Å; I148-G438 WeakPolarHBondContact CD1-O 3.23Å; I148-G438 WeakPolarHBondContact CG1-O 3.49Å; I148-L440 HydrophobicContact CB-CD1 4.38Å; I148-L440 HydrophobicContact CB-CG 4.49Å; I148-L440 HydrophobicContact CD1-CD2 4.34Å; I148-L440 HydrophobicContact CD1-CG 4.21Å; I148-T605 HydrophobicContact CD1-CG2 4.48Å
149	G	90.3	Very high	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-49.2	173.3	0	0	0	0	0	112	D145 N146 E147 W151 I152 I153	D145-G149 PolarHBondContact O-N 2.95Å; N146-G149 PolarHBondContact O-N 3.43Å; E147-G149 VanDerWaalsContact C-N 3.32Å; E147-G149 PolarHBondContact O-N 3.27Å; G149-W151 VanDerWaalsContact C-N 3.31Å; G149-W151 PolarHBondContact O-N 3.39Å; G149-I152 PolarHBondContact O-N 3.48Å; G149-I153 PolarHBondContact O-N 3.24Å; G149-I153 VanDerWaalsContact O-N 3.17Å
150	N	88.7	Confident	90.6	Very high	44 Å²	44	23.8 Å²	23.8	24%	0.235	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-33.5	176.6	-74.3	-5.8	0	0	0	112.5	N146 E147 I148 I153 K154 H337	N146-N150 WeakPolarHBondContact O-CB 3.43Å; N146-N150 PolarHBondContact O-N 3.08Å; E147-N150 PolarHBondContact O-N 3.03Å; I148-N150 PolarHBondContact O-N 2.53Å; N150-I153 WeakPolarHBondContact O-CG1 3.42Å; N150-K154 WeakPolarHBondContact O-CG 3.16Å; N150-K154 PolarHBondContact O-N 3.44Å; N150-H337 PolarHBondContact ND2-CE1 2.65Å; N150-H337 PolarHBondContact ND2-ND1 3.17Å; N150-H337 PolarHBondContact ND2-NE2 2.93Å
151	W	89.4	Confident	91	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-66.3	-40.8	174.4	-171.3	-90.1	0	0	0	112	E147 I148 G149 K154 S155 F157 P305 S338 P340 L440 R603 T605	E147-W151 WeakPolarHBondContact O-CB 3.21Å; E147-W151 PolarHBondContact O-N 2.98Å; I148-W151 HydrophobicContact CD1-CB 4.24Å; I148-W151 HydrophobicContact CD1-CG 4.43Å; I148-W151 WeakPolarHBondContact O-CB 3.5Å; I148-W151 PolarHBondContact O-N 2.82Å; G149-W151 VanDerWaalsContact C-N 3.31Å; G149-W151 PolarHBondContact O-N 3.39Å; W151-K154 PolarHBondContact O-N 2.89Å; W151-S155 PolarHBondContact O-N 3.14Å; W151-S155 PolarHBondContact O-OG 3.09Å; W151-F157 AromaticContact CD1-CE2 3.89Å; W151-F157 AromaticContact CD1-CZ 3.94Å; W151-P305 HydrophobicContact CZ2-CG 4.02Å; W151-S338 WeakPolarHBondContact CZ3-OG 3.19Å; W151-P340 HydrophobicContact CD2-CG 3.46Å; W151-P340 VanDerWaalsContact CD2-CG 3.46Å; W151-P340 HydrophobicContact CE3-CG 3.54Å; W151-P340 HydrophobicContact CG-CG 4.11Å; W151-P340 HydrophobicContact CH2-CB 4.03Å; W151-P340 HydrophobicContact CH2-CG 3.76Å; W151-P340 HydrophobicContact CZ2-CB 4Å; W151-P340 HydrophobicContact CZ2-CG 3.76Å; W151-P340 HydrophobicContact CZ3-CB 4.36Å; W151-P340 HydrophobicContact CZ3-CG 3.66Å; W151-L440 HydrophobicContact CB-CD1 4.14Å; W151-L440 HydrophobicContact CB-CD2 4.26Å; W151-L440 HydrophobicContact CD2-CD1 4.5Å; W151-L440 HydrophobicContact CD2-CD2 3.52Å; W151-L440 HydrophobicContact CE3-CD2 4Å; W151-L440 HydrophobicContact CG-CD1 4.38Å; W151-L440 HydrophobicContact CG-CD2 3.66Å; W151-L440 HydrophobicContact CZ2-CD2 4.25Å; W151-R603 HydrophobicContact CH2-CB 3.85Å; W151-R603 VanDerWaalsContact CH2-O 3.22Å; W151-R603 WeakPolarHBondContact CH2-O 3.41Å; W151-R603 HydrophobicContact CZ3-CB 3.64Å; W151-T605 VanDerWaalsContact CD1-OG1 3.29Å; W151-T605 PolarHBondContact NE1-OG1 2.73Å
152	I	90	Very high	91.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-45.5	178.9	-73.7	165.6	0	0	0	111.5	F142 I148 G149 K154 S155 F157 F159 F180 P229	F142-I152 HydrophobicContact CB-CD1 3.53Å; I148-I152 HydrophobicContact CD1-CD1 4.1Å; I148-I152 HydrophobicContact CD1-CG1 4.03Å; I148-I152 HydrophobicContact CG1-CD1 3.72Å; I148-I152 HydrophobicContact CG1-CG1 4.15Å; I148-I152 WeakPolarHBondContact O-CB 3.31Å; I148-I152 VanDerWaalsContact O-CG1 3.28Å; I148-I152 WeakPolarHBondContact O-CG1 3.37Å; I148-I152 PolarHBondContact O-N 2.82Å; G149-I152 PolarHBondContact O-N 3.48Å; I152-K154 VanDerWaalsContact C-N 3.25Å; I152-K154 PolarHBondContact O-N 2.95Å; I152-S155 PolarHBondContact O-N 3.29Å; I152-F157 HydrophobicContact CB-CD2 4.06Å; I152-F157 HydrophobicContact CB-CE2 4.37Å; I152-F157 HydrophobicContact CB-CG 4.42Å; I152-F157 HydrophobicContact CG1-CD1 4.2Å; I152-F157 HydrophobicContact CG1-CD2 3.87Å; I152-F157 HydrophobicContact CG1-CE1 4.22Å; I152-F157 HydrophobicContact CG1-CE2 3.89Å; I152-F157 HydrophobicContact CG1-CG 4.03Å; I152-F157 HydrophobicContact CG1-CZ 4.07Å; I152-F157 HydrophobicContact CG2-CB 4.05Å; I152-F157 HydrophobicContact CG2-CD2 4.14Å; I152-F157 HydrophobicContact CG2-CG 4.15Å; I152-F159 HydrophobicContact CD1-CZ 4.04Å; I152-F159 HydrophobicContact CG2-CE2 4.4Å; I152-F159 HydrophobicContact CG2-CZ 4.49Å; I152-F180 HydrophobicContact CB-CE1 4.29Å; I152-F180 HydrophobicContact CB-CZ 4.27Å; I152-F180 HydrophobicContact CD1-CZ 4.13Å; I152-F180 HydrophobicContact CG2-CE1 4.14Å; I152-F180 HydrophobicContact CG2-CE2 4.49Å; I152-F180 HydrophobicContact CG2-CZ 4.08Å; I152-P229 HydrophobicContact CG2-CB 4.09Å; I152-P229 HydrophobicContact CG2-CG 4.21Å
153	I	89	Confident	91.7	Very high	57 Å²	57	22.5 Å²	22.5	29%	0.292	11%	0.113	S	C	.	.	H	α-helix	trans	-66.2	-28.5	179.9	65.6	176.6	0	0	0	112.7	G149 N150 S155 F180	G149-I153 PolarHBondContact O-N 3.24Å; G149-I153 VanDerWaalsContact O-N 3.17Å; N150-I153 WeakPolarHBondContact O-CG1 3.42Å; I153-S155 VanDerWaalsContact C-N 3.3Å; I153-F180 HydrophobicContact CG2-CD1 3.55Å; I153-F180 HydrophobicContact CG2-CE1 3.94Å
154	K	87.6	Confident	91.9	Very high	34 Å²	34	22.1 Å²	22.1	15%	0.148	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.3	179.2	-62.4	-171	-170.1	-148.9	0	113.1	N150 W151 I152 P308 D316 N339	N150-K154 WeakPolarHBondContact O-CG 3.16Å; N150-K154 PolarHBondContact O-N 3.44Å; W151-K154 PolarHBondContact O-N 2.89Å; I152-K154 VanDerWaalsContact C-N 3.25Å; I152-K154 PolarHBondContact O-N 2.95Å; K154-P308 WeakPolarHBondContact O-CD 3.44Å; K154-D316 WeakPolarHBondContact CE-OD2 3.41Å; K154-D316 IonicContact NZ-OD1 2.91Å; K154-D316 PolarHBondContact NZ-OD1 3.44Å; K154-D316 IonicContact NZ-OD2 3.23Å; K154-D316 PolarHBondContact NZ-OD2 3.27Å; K154-N339 HydrophobicContact CD-CB 4.35Å
155	S	88.4	Confident	92.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-138.2	168.9	179	-30	0	0	0	0	113	W151 I152 I153 F157 S228 P305 A306 P340	W151-S155 PolarHBondContact O-N 3.14Å; W151-S155 PolarHBondContact O-OG 3.09Å; I152-S155 PolarHBondContact O-N 3.29Å; I153-S155 VanDerWaalsContact C-N 3.3Å; S155-F157 PolarHBondContact O-N 2.86Å; S155-S228 WeakPolarHBondContact O-CB 3.12Å; S155-S228 PolarHBondContact O-OG 3.3Å; S155-P305 VanDerWaalsContact CB-CG 3.4Å; S155-P305 WeakPolarHBondContact OG-CG 3.35Å; S155-A306 CarbonylContact C-O 3.59Å; S155-A306 WeakPolarHBondContact CA-O 3.4Å; S155-A306 WeakPolarHBondContact CB-O 2.79Å; S155-P340 VanDerWaalsContact OG-CG 3.29Å; S155-P340 WeakPolarHBondContact OG-CG 3.19Å
156	R	90.6	Very high	92.6	Very high	54 Å²	54	17.9 Å²	17.9	20%	0.204	9%	0.092	C	C	.	.			trans	-81.7	105.4	171	-67.8	-179.6	-172.2	-162.7	-3.8	110.6	F252 Y254 F255 A306 P307	R156-F252 WeakPolarHBondContact CD-O 3.39Å; R156-F252 PolarHBondContact NH1-O 3.08Å; R156-Y254 HydrophobicContact CB-CD1 3.78Å; R156-Y254 HydrophobicContact CB-CD2 4.05Å; R156-Y254 HydrophobicContact CB-CE1 3.94Å; R156-Y254 HydrophobicContact CB-CE2 4.21Å; R156-Y254 HydrophobicContact CB-CG 3.82Å; R156-Y254 HydrophobicContact CG-CE1 4.38Å; R156-Y254 HydrophobicContact CG-CE2 4.24Å; R156-Y254 WeakPolarHBondContact O-CA 3.44Å; R156-F255 PolarHBondContact O-N 2.73Å; R156-A306 PolarHBondContact N-O 3.31Å; R156-P307 WeakPolarHBondContact CD-O 3.45Å; R156-P307 WeakPolarHBondContact CG-O 3.49Å; R156-P307 PolarHBondContact NE-O 3.18Å
157	F	93.5	Very high	92.9	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.4	176.6	-86.5	-90.5	0	0	0	111.4	W151 I152 S155 S228 P229 I230 Y254 F255 I257 P305	W151-F157 AromaticContact CD1-CE2 3.89Å; W151-F157 AromaticContact CD1-CZ 3.94Å; I152-F157 HydrophobicContact CB-CD2 4.06Å; I152-F157 HydrophobicContact CB-CE2 4.37Å; I152-F157 HydrophobicContact CB-CG 4.42Å; I152-F157 HydrophobicContact CG1-CD1 4.2Å; I152-F157 HydrophobicContact CG1-CD2 3.87Å; I152-F157 HydrophobicContact CG1-CE1 4.22Å; I152-F157 HydrophobicContact CG1-CE2 3.89Å; I152-F157 HydrophobicContact CG1-CG 4.03Å; I152-F157 HydrophobicContact CG1-CZ 4.07Å; I152-F157 HydrophobicContact CG2-CB 4.05Å; I152-F157 HydrophobicContact CG2-CD2 4.14Å; I152-F157 HydrophobicContact CG2-CG 4.15Å; S155-F157 PolarHBondContact O-N 2.86Å; F157-S228 PolarHBondContact N-OG 2.97Å; F157-P229 HydrophobicContact CB-CB 4.27Å; F157-P229 CarbonylContact O-C 3.58Å; F157-P229 VanDerWaalsContact O-CA 3.3Å; F157-P229 WeakPolarHBondContact O-CA 3.42Å; F157-I230 PolarHBondContact O-N 3.06Å; F157-Y254 WeakPolarHBondContact O-CD1 3.4Å; F157-F255 CarbonylContact C-O 3.1Å; F157-F255 WeakPolarHBondContact CA-O 3.32Å; F157-F255 HydrophobicContact CD1-CB 3.76Å; F157-F255 HydrophobicContact CE1-CB 3.66Å; F157-F255 HydrophobicContact CG-CB 4.3Å; F157-F255 HydrophobicContact CZ-CB 4.11Å; F157-I257 HydrophobicContact CD1-CD1 3.81Å; F157-I257 HydrophobicContact CD1-CG1 4.07Å; F157-I257 HydrophobicContact CE1-CD1 3.82Å; F157-I257 HydrophobicContact CE1-CG1 4.17Å; F157-P305 HydrophobicContact CE2-CB 4.24Å; F157-P305 HydrophobicContact CE2-CG 4.16Å
158	M	96.2	Very high	93.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116	173	-175.2	-178	-69.3	0	0	109	I160 V219 V223 I230 I232 A249 Y254 F255 V256 I257	M158-I160 HydrophobicContact CG-CG1 4.05Å; M158-I160 HydrophobicContact SD-CD1 4.11Å; M158-I160 HydrophobicContact SD-CG1 4.04Å; M158-V219 HydrophobicContact CE-CG1 4.47Å; M158-V223 HydrophobicContact CE-CG1 3.81Å; M158-I230 CarbonylContact C-O 3.57Å; M158-I230 VanDerWaalsContact CA-O 3.3Å; M158-I230 WeakPolarHBondContact CA-O 3.15Å; M158-I230 HydrophobicContact CE-CG2 4.41Å; M158-I230 HydrophobicContact CG-CB 4.4Å; M158-I230 HydrophobicContact CG-CG2 4.3Å; M158-I232 HydrophobicContact CG-CG1 4.22Å; M158-I232 HydrophobicContact SD-CG1 4.19Å; M158-A249 HydrophobicContact CE-CB 4.14Å; M158-A249 HydrophobicContact SD-CB 4.06Å; M158-Y254 HydrophobicContact CB-CD1 4.1Å; M158-Y254 HydrophobicContact CB-CG 4.5Å; M158-F255 PolarHBondContact N-O 2.87Å; M158-V256 CarbonylContact O-C 3.51Å; M158-V256 VanDerWaalsContact O-CA 3.3Å; M158-V256 WeakPolarHBondContact O-CA 3.44Å; M158-I257 PolarHBondContact O-N 3.3Å
159	F	96.9	Very high	93.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.7	167.9	-63.7	-81.9	0	0	0	108.8	F142 I152 I176 F180 P229 I230 V231 I232 I257 V259	F142-F159 HydrophobicContact CB-CE1 4.14Å; F142-F159 HydrophobicContact CB-CZ 4.18Å; F142-F159 AromaticContact CD1-CE1 3.83Å; F142-F159 HydrophobicContact CD1-CE1 3.83Å; F142-F159 AromaticContact CD2-CE1 3.68Å; F142-F159 HydrophobicContact CD2-CE1 3.68Å; F142-F159 AromaticContact CD2-CZ 3.94Å; F142-F159 HydrophobicContact CD2-CZ 3.94Å; F142-F159 HydrophobicContact CE1-CE1 4.12Å; F142-F159 HydrophobicContact CE2-CE1 4Å; F142-F159 AromaticContact CG-CE1 3.63Å; F142-F159 HydrophobicContact CG-CE1 3.63Å; F142-F159 HydrophobicContact CG-CZ 4.04Å; F142-F159 HydrophobicContact CZ-CE1 4.23Å; I152-F159 HydrophobicContact CD1-CZ 4.04Å; I152-F159 HydrophobicContact CG2-CE2 4.4Å; I152-F159 HydrophobicContact CG2-CZ 4.49Å; F159-I176 HydrophobicContact CB-CD1 4.3Å; F159-I176 HydrophobicContact CD1-CD1 4.24Å; F159-I176 HydrophobicContact CD2-CD1 4.34Å; F159-I176 HydrophobicContact CD2-CG2 4.13Å; F159-I176 HydrophobicContact CE2-CG2 4.07Å; F159-I176 HydrophobicContact CG-CD1 4.05Å; F159-F180 HydrophobicContact CZ-CE2 4.48Å; F159-P229 HydrophobicContact CD2-CB 3.9Å; F159-P229 HydrophobicContact CE2-CB 3.61Å; F159-P229 HydrophobicContact CE2-CG 4.14Å; F159-I230 PolarHBondContact N-O 2.91Å; F159-V231 HydrophobicContact CB-CB 4.48Å; F159-V231 HydrophobicContact CB-CG1 4.23Å; F159-V231 HydrophobicContact CB-CG2 4.31Å; F159-V231 HydrophobicContact CD2-CG2 4.07Å; F159-V231 CarbonylContact O-C 3.54Å; F159-V231 WeakPolarHBondContact O-CA 3.44Å; F159-I232 PolarHBondContact O-N 2.76Å; F159-I257 WeakPolarHBondContact CA-O 3.27Å; F159-I257 HydrophobicContact CD1-CB 3.84Å; F159-I257 HydrophobicContact CD1-CD1 4.38Å; F159-I257 HydrophobicContact CD1-CG2 4.13Å; F159-I257 HydrophobicContact CE1-CB 4.08Å; F159-I257 HydrophobicContact CE1-CD1 3.74Å; F159-I257 HydrophobicContact CE1-CG1 4.43Å; F159-I257 HydrophobicContact CE1-CG2 4.25Å; F159-I257 HydrophobicContact CZ-CD1 4.34Å; F159-V259 HydrophobicContact CD1-CG2 3.91Å
160	I	97.6	Very high	93.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.6	171	-61.1	178.2	0	0	0	106.8	M158 R162 I232 N236 A242 T246 V256 I257 M258 V259	M158-I160 HydrophobicContact CG-CG1 4.05Å; M158-I160 HydrophobicContact SD-CD1 4.11Å; M158-I160 HydrophobicContact SD-CG1 4.04Å; I160-R162 HydrophobicContact CG2-CG 4.47Å; I160-I232 HydrophobicContact CG1-CB 4.49Å; I160-I232 HydrophobicContact CG1-CG1 4.24Å; I160-N236 HydrophobicContact CG2-CB 4.17Å; I160-N236 WeakPolarHBondContact CG2-ND2 3.33Å; I160-A242 HydrophobicContact CG2-CB 4.45Å; I160-T246 HydrophobicContact CD1-CG2 3.81Å; I160-V256 HydrophobicContact CB-CG1 4.48Å; I160-V256 HydrophobicContact CD1-CG1 3.64Å; I160-V256 HydrophobicContact CD1-CG2 4.48Å; I160-V256 HydrophobicContact CG1-CG1 4.01Å; I160-I257 PolarHBondContact N-O 3.38Å; I160-M258 HydrophobicContact CB-CE 4.42Å; I160-M258 HydrophobicContact CB-SD 3.57Å; I160-M258 VanDerWaalsContact CB-SD 3.57Å; I160-M258 HydrophobicContact CD1-CE 3.81Å; I160-M258 HydrophobicContact CD1-SD 4.12Å; I160-M258 HydrophobicContact CG1-SD 4.39Å; I160-M258 HydrophobicContact CG2-CE 4.4Å; I160-M258 HydrophobicContact CG2-SD 3.64Å; I160-M258 WeakPolarHBondContact O-CA 3.33Å; I160-V259 PolarHBondContact O-N 3.32Å
161	L	97.6	Very high	93.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.4	177.9	-53.9	-170.5	0	0	0	109.5	K169 L172 I176 V231 I232 D233 N234 N236 V259	L161-K169 HydrophobicContact CB-CB 4.3Å; L161-K169 HydrophobicContact CB-CD 4.27Å; L161-K169 HydrophobicContact CB-CG 4.35Å; L161-K169 HydrophobicContact CD1-CB 4.14Å; L161-K169 WeakPolarHBondContact CD1-O 3.43Å; L161-L172 HydrophobicContact CD2-CD2 4.1Å; L161-I176 HydrophobicContact CD2-CD1 4.31Å; L161-V231 HydrophobicContact CD1-CG1 4.03Å; L161-V231 HydrophobicContact CD2-CG1 4.46Å; L161-V231 HydrophobicContact CG-CG1 4.07Å; L161-I232 WeakPolarHBondContact CB-O 3.43Å; L161-I232 PolarHBondContact N-O 3.29Å; L161-D233 HydrophobicContact CD1-CB 4.14Å; L161-N234 VanDerWaalsContact O-O 3.08Å; L161-N236 WeakPolarHBondContact O-CB 3.35Å; L161-N236 PolarHBondContact O-ND2 2.99Å; L161-V259 CarbonylContact C-O 3.52Å; L161-V259 WeakPolarHBondContact CA-O 3.47Å; L161-V259 HydrophobicContact CD2-CB 3.82Å; L161-V259 HydrophobicContact CD2-CG2 4.25Å
162	R	97	Very high	94.2	Very high	9 Å²	9	15.3 Å²	15.3	3%	0.034	9%	0.087	C	C	.	.			trans	-136.8	132.8	-176.2	-58.2	-170.1	65	-137	-8.2	110.5	I160 T235 N236 T237 M258 V259 I260 P261 F292 E293	I160-R162 HydrophobicContact CG2-CG 4.47Å; R162-T235 CarbonylContact C-O 3.56Å; R162-T235 WeakPolarHBondContact CA-O 3.23Å; R162-N236 HydrophobicContact CG-CB 3.89Å; R162-N236 PolarHBondContact NE-O 2.88Å; R162-N236 PolarHBondContact NH2-O 3.27Å; R162-N236 VanDerWaalsContact NH2-O 3.12Å; R162-T237 PolarHBondContact NH2-O 2.93Å; R162-M258 HydrophobicContact CG-SD 4.32Å; R162-V259 PolarHBondContact N-O 3.19Å; R162-I260 HydrophobicContact CB-CG1 3.9Å; R162-I260 WeakPolarHBondContact O-CA 3.4Å; R162-P261 WeakPolarHBondContact O-CD 3.15Å; R162-F292 HydrophobicContact CB-CE2 4.45Å; R162-F292 HydrophobicContact CB-CZ 4.26Å; R162-E293 PolarHBondContact NH1-O 3.12Å; R162-E293 PolarHBondContact NH2-O 3.38Å
163	G	96.8	Very high	94.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	9%	0.088	C	C	.	.			trans	152.6	154.9	176.2	0	0	0	0	0	113.6	K169 T235	G163-K169 WeakPolarHBondContact O-CD 3.39Å; G163-K169 WeakPolarHBondContact O-CE 3.31Å; G163-K169 PolarHBondContact O-NZ 3.39Å; G163-T235 PolarHBondContact N-O 2.91Å; G163-T235 WeakPolarHBondContact O-CA 3.47Å
164	P	96.9	Very high	94.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.			trans	-61.6	162	175.1	27.8	-35.2	0	0	0	112	S167 K169 R266 L272 K288 V289	P164-S167 VanDerWaalsContact O-CB 3.31Å; P164-S167 WeakPolarHBondContact O-CB 3.38Å; P164-S167 PolarHBondContact O-N 2.87Å; P164-S167 PolarHBondContact O-OG 3.39Å; P164-K169 PolarHBondContact O-NZ 3.48Å; P164-R266 VanDerWaalsContact CG-O 3.28Å; P164-R266 WeakPolarHBondContact CG-O 3.15Å; P164-L272 HydrophobicContact CB-CD1 4.03Å; P164-L272 HydrophobicContact CG-CD1 3.42Å; P164-L272 VanDerWaalsContact CG-CD1 3.42Å; P164-L272 HydrophobicContact CG-CD2 4.14Å; P164-L272 HydrophobicContact CG-CG 4.42Å; P164-K288 HydrophobicContact CB-CB 4.26Å; P164-V289 HydrophobicContact CB-CG2 4.25Å; P164-V289 HydrophobicContact CG-CG2 3.99Å
165	P	96.7	Very high	95	Very high	16 Å²	16	12.7 Å²	12.7	10%	0.104	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	141.1	169.7	-26.8	36.1	0	0	0	111.8	S167 T235 L272 N276 V280 I285 K288	P165-S167 VanDerWaalsContact C-N 3.33Å; P165-S167 PolarHBondContact O-N 3.25Å; P165-T235 HydrophobicContact CG-CG2 4.37Å; P165-L272 WeakPolarHBondContact O-CD2 3.27Å; P165-N276 HydrophobicContact CB-CB 4Å; P165-V280 HydrophobicContact CB-CB 4.36Å; P165-V280 HydrophobicContact CB-CG2 4.14Å; P165-V280 HydrophobicContact CG-CB 4.35Å; P165-V280 HydrophobicContact CG-CG1 4.28Å; P165-V280 HydrophobicContact CG-CG2 4.04Å; P165-I285 HydrophobicContact CB-CD1 4.49Å; P165-I285 HydrophobicContact CB-CG1 4.48Å; P165-K288 HydrophobicContact CG-CD 4.34Å
166	G	94.9	Very high	95.3	Very high	20 Å²	20	12.7 Å²	12.7	21%	0.206	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-3.2	-177.7	0	0	0	0	0	116	G168 W265	G166-G168 VanDerWaalsContact C-N 3.31Å; G166-G168 PolarHBondContact O-N 3.38Å; G166-W265 PolarHBondContact O-NE1 3.05Å
167	S	96.1	Very high	95.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.085	C	C	.	.	S	Bend	trans	-75.4	-14.4	-176.8	68.7	0	0	0	0	115	P164 P165 P261 T263 L272	P164-S167 VanDerWaalsContact O-CB 3.31Å; P164-S167 WeakPolarHBondContact O-CB 3.38Å; P164-S167 PolarHBondContact O-N 2.87Å; P164-S167 PolarHBondContact O-OG 3.39Å; P165-S167 VanDerWaalsContact C-N 3.33Å; P165-S167 PolarHBondContact O-N 3.25Å; S167-P261 VanDerWaalsContact O-CB 3.23Å; S167-P261 WeakPolarHBondContact O-CB 3.4Å; S167-T263 WeakPolarHBondContact O-CG2 3.25Å; S167-T263 PolarHBondContact O-OG1 3.06Å; S167-L272 VanDerWaalsContact CA-CD2 3.47Å; S167-L272 VanDerWaalsContact N-CD2 3.32Å
168	G	94	Very high	95.4	Very high	21 Å²	21	16.9 Å²	16.9	22%	0.216	9%	0.093	C	C	.	.	S	Bend	trans	103	15.7	-177.9	0	0	0	0	0	115.4	G166 F171 L172	G166-G168 VanDerWaalsContact C-N 3.31Å; G166-G168 PolarHBondContact O-N 3.38Å; G168-F171 PolarHBondContact O-N 2.83Å; G168-L172 PolarHBondContact O-N 2.82Å
169	K	96.1	Very high	95.2	Very high	17 Å²	17	18.9 Å²	18.9	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-51.8	177.7	-60.5	-176	-58.1	-64.3	0	112.7	L161 G163 P164 F171 L172 S173 D233 N234 P261	L161-K169 HydrophobicContact CB-CB 4.3Å; L161-K169 HydrophobicContact CB-CD 4.27Å; L161-K169 HydrophobicContact CB-CG 4.35Å; L161-K169 HydrophobicContact CD1-CB 4.14Å; L161-K169 WeakPolarHBondContact CD1-O 3.43Å; G163-K169 WeakPolarHBondContact O-CD 3.39Å; G163-K169 WeakPolarHBondContact O-CE 3.31Å; G163-K169 PolarHBondContact O-NZ 3.39Å; P164-K169 PolarHBondContact O-NZ 3.48Å; K169-F171 VanDerWaalsContact C-N 3.27Å; K169-F171 PolarHBondContact O-N 2.89Å; K169-L172 CarbonylContact O-C 3.57Å; K169-L172 WeakPolarHBondContact O-CA 3.5Å; K169-L172 WeakPolarHBondContact O-CB 3.48Å; K169-L172 PolarHBondContact O-N 3.38Å; K169-S173 PolarHBondContact O-N 3.22Å; K169-D233 WeakPolarHBondContact CB-OD1 3.4Å; K169-N234 VanDerWaalsContact CD-O 3.31Å; K169-N234 WeakPolarHBondContact CD-O 3.31Å; K169-N234 WeakPolarHBondContact CE-O 3.09Å; K169-P261 HydrophobicContact CB-CG 4.45Å; K169-P261 HydrophobicContact CG-CG 3.84Å
170	S	93.8	Very high	95.1	Very high	51 Å²	51	19 Å²	19	36%	0.357	10%	0.101	S	C	.	.	H	α-helix	trans	-68.5	-28	-178.5	-47.8	0	0	0	0	113.5	S173 E174 D233	S170-S173 WeakPolarHBondContact CA-OG 3.17Å; S170-S173 PolarHBondContact O-OG 2.87Å; S170-E174 WeakPolarHBondContact O-CB 3.36Å; S170-E174 PolarHBondContact O-N 2.92Å; S170-E174 VanDerWaalsContact O-N 3.12Å; S170-D233 WeakPolarHBondContact CA-OD2 3.44Å; S170-D233 VanDerWaalsContact CB-OD2 3.26Å; S170-D233 WeakPolarHBondContact CB-OD2 3.35Å; S170-D233 PolarHBondContact N-OD1 3.02Å; S170-D233 PolarHBondContact OG-OD1 3.05Å; S170-D233 PolarHBondContact OG-OD2 3.3Å
171	F	93.6	Very high	94.8	Very high	35 Å²	35	23.7 Å²	23.7	15%	0.154	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-44.4	168	178.7	-98.7	0	0	0	111.3	L54 I134 V138 G168 K169 E174 C175	L54-F171 HydrophobicContact CD2-CD2 3.96Å; L54-F171 HydrophobicContact CD2-CE2 3.95Å; L54-F171 HydrophobicContact CD2-CG 4.37Å; L54-F171 HydrophobicContact CD2-CZ 4.35Å; I134-F171 HydrophobicContact CG2-CE1 4.03Å; I134-F171 HydrophobicContact CG2-CZ 3.52Å; V138-F171 HydrophobicContact CG1-CD1 4.37Å; V138-F171 HydrophobicContact CG1-CE1 3.69Å; G168-F171 PolarHBondContact O-N 2.83Å; K169-F171 VanDerWaalsContact C-N 3.27Å; K169-F171 PolarHBondContact O-N 2.89Å; F171-E174 WeakPolarHBondContact O-CB 3.46Å; F171-E174 PolarHBondContact O-N 2.9Å; F171-C175 PolarHBondContact O-N 2.89Å; F171-C175 PolarHBondContact O-SG 3.44Å
172	L	94.5	Very high	94.5	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-38.2	177	-178.8	62.6	0	0	0	112.7	F140 L143 L161 G168 K169 E174 C175 I176 V259	F140-L172 HydrophobicContact CD2-CD1 3.79Å; F140-L172 HydrophobicContact CE2-CD1 3.62Å; F140-L172 HydrophobicContact CE2-CD2 3.99Å; F140-L172 HydrophobicContact CE2-CG 4.48Å; F140-L172 HydrophobicContact CZ-CD1 4.49Å; F140-L172 HydrophobicContact CZ-CD2 4.07Å; L143-L172 HydrophobicContact CD1-CD1 3.8Å; L161-L172 HydrophobicContact CD2-CD2 4.1Å; G168-L172 PolarHBondContact O-N 2.82Å; K169-L172 CarbonylContact O-C 3.57Å; K169-L172 WeakPolarHBondContact O-CA 3.5Å; K169-L172 WeakPolarHBondContact O-CB 3.48Å; K169-L172 PolarHBondContact O-N 3.38Å; L172-E174 VanDerWaalsContact C-N 3.25Å; L172-E174 PolarHBondContact O-N 2.83Å; L172-C175 WeakPolarHBondContact O-CB 3.21Å; L172-C175 PolarHBondContact O-N 3.48Å; L172-I176 HydrophobicContact CG-CD1 4.38Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.67Å; L172-V259 HydrophobicContact CD2-CB 4.22Å; L172-V259 HydrophobicContact CD2-CG1 3.47Å; L172-V259 VanDerWaalsContact CD2-CG1 3.47Å
173	S	95.5	Very high	94.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-39.4	175.5	76.1	0	0	0	0	110.7	K169 S170 I176 R177 I185 D233	K169-S173 PolarHBondContact O-N 3.22Å; S170-S173 WeakPolarHBondContact CA-OG 3.17Å; S170-S173 PolarHBondContact O-OG 2.87Å; S173-I176 WeakPolarHBondContact O-CB 3.44Å; S173-I176 PolarHBondContact O-N 3.16Å; S173-R177 PolarHBondContact O-N 3.4Å; S173-I185 VanDerWaalsContact O-CD1 3.31Å; S173-I185 WeakPolarHBondContact O-CD1 3.42Å; S173-D233 PolarHBondContact OG-OD2 2.97Å
174	E	93.8	Very high	94.4	Very high	30 Å²	30	33.2 Å²	33.2	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-42.7	173.5	-176.9	55.2	-155.5	0	0	112.9	S170 F171 L172 I176 R177 I178	S170-E174 WeakPolarHBondContact O-CB 3.36Å; S170-E174 PolarHBondContact O-N 2.92Å; S170-E174 VanDerWaalsContact O-N 3.12Å; F171-E174 WeakPolarHBondContact O-CB 3.46Å; F171-E174 PolarHBondContact O-N 2.9Å; L172-E174 VanDerWaalsContact C-N 3.25Å; L172-E174 PolarHBondContact O-N 2.83Å; E174-I176 VanDerWaalsContact C-N 3.29Å; E174-I176 PolarHBondContact O-N 2.81Å; E174-R177 WeakPolarHBondContact O-CB 3.3Å; E174-R177 PolarHBondContact O-N 3.37Å; E174-R177 IonicContact OE1-CZ 3.39Å; E174-R177 VanDerWaalsContact OE1-CZ 3.28Å; E174-R177 IonicContact OE1-NE 3.54Å; E174-R177 PolarHBondContact OE1-NE 2.88Å; E174-R177 IonicContact OE1-NH2 2.97Å; E174-R177 PolarHBondContact OE1-NH2 3.3Å; E174-R177 IonicContact OE2-CZ 3.85Å; E174-R177 VanDerWaalsContact OE2-CZ 3.23Å; E174-R177 IonicContact OE2-NE 2.67Å; E174-R177 PolarHBondContact OE2-NE 2.83Å; E174-R177 IonicContact OE2-NH2 3.91Å; E174-R177 PolarHBondContact OE2-NH2 2.84Å; E174-I178 HydrophobicContact CG-CD1 4.32Å; E174-I178 PolarHBondContact O-N 2.79Å; E174-I178 WeakPolarHBondContact OE1-CD1 3.35Å
175	C	94.6	Very high	94.5	Very high	4 Å²	4	34 Å²	34	3%	0.027	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-39.9	172.4	-62.8	0	0	0	0	112.2	L143 F171 L172 I178 R179	L143-C175 HydrophobicContact CD1-CB 4Å; L143-C175 HydrophobicContact CD2-CB 4.42Å; F171-C175 PolarHBondContact O-N 2.89Å; F171-C175 PolarHBondContact O-SG 3.44Å; L172-C175 WeakPolarHBondContact O-CB 3.21Å; L172-C175 PolarHBondContact O-N 3.48Å; C175-I178 PolarHBondContact O-N 3.48Å; C175-R179 PolarHBondContact O-N 2.73Å
176	I	94.3	Very high	94.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-43.3	175.2	-65.3	167.3	0	0	0	110.3	F142 L143 F159 L161 L172 S173 E174 I178 R179 F180 V231	F142-I176 HydrophobicContact CD2-CG1 4.46Å; F142-I176 HydrophobicContact CE2-CD1 4.03Å; F142-I176 HydrophobicContact CE2-CG1 3.86Å; L143-I176 HydrophobicContact CD2-CG1 4.02Å; F159-I176 HydrophobicContact CB-CD1 4.3Å; F159-I176 HydrophobicContact CD1-CD1 4.24Å; F159-I176 HydrophobicContact CD2-CD1 4.34Å; F159-I176 HydrophobicContact CD2-CG2 4.13Å; F159-I176 HydrophobicContact CE2-CG2 4.07Å; F159-I176 HydrophobicContact CG-CD1 4.05Å; L161-I176 HydrophobicContact CD2-CD1 4.31Å; L172-I176 HydrophobicContact CG-CD1 4.38Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.67Å; S173-I176 WeakPolarHBondContact O-CB 3.44Å; S173-I176 PolarHBondContact O-N 3.16Å; E174-I176 VanDerWaalsContact C-N 3.29Å; E174-I176 PolarHBondContact O-N 2.81Å; I176-I178 VanDerWaalsContact C-N 3.32Å; I176-I178 PolarHBondContact O-N 2.81Å; I176-R179 PolarHBondContact O-N 2.9Å; I176-F180 HydrophobicContact CG2-CD2 3.83Å; I176-F180 HydrophobicContact CG2-CE2 4.47Å; I176-F180 WeakPolarHBondContact O-CB 3.4Å; I176-F180 WeakPolarHBondContact O-CD2 3.38Å; I176-F180 PolarHBondContact O-N 3.39Å; I176-V231 HydrophobicContact CB-CG2 4.35Å; I176-V231 HydrophobicContact CD1-CG1 4.31Å; I176-V231 HydrophobicContact CD1-CG2 4.45Å; I176-V231 HydrophobicContact CG2-CG2 3.58Å
177	R	94.3	Very high	94.6	Very high	109 Å²	109	33.9 Å²	33.9	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-58.7	-42.6	176.8	-166	169.7	64.4	92.8	-8.5	112.6	S173 E174 F180 P181 I185	S173-R177 PolarHBondContact O-N 3.4Å; E174-R177 WeakPolarHBondContact O-CB 3.3Å; E174-R177 PolarHBondContact O-N 3.37Å; E174-R177 IonicContact OE1-CZ 3.39Å; E174-R177 VanDerWaalsContact OE1-CZ 3.28Å; E174-R177 IonicContact OE1-NE 3.54Å; E174-R177 PolarHBondContact OE1-NE 2.88Å; E174-R177 IonicContact OE1-NH2 2.97Å; E174-R177 PolarHBondContact OE1-NH2 3.3Å; E174-R177 IonicContact OE2-CZ 3.85Å; E174-R177 VanDerWaalsContact OE2-CZ 3.23Å; E174-R177 IonicContact OE2-NE 2.67Å; E174-R177 PolarHBondContact OE2-NE 2.83Å; E174-R177 IonicContact OE2-NH2 3.91Å; E174-R177 PolarHBondContact OE2-NH2 2.84Å; R177-F180 CarbonylContact O-C 3.57Å; R177-F180 PolarHBondContact O-N 2.95Å; R177-F180 VanDerWaalsContact O-O 3.09Å; R177-P181 VanDerWaalsContact O-CA 3.28Å; R177-P181 WeakPolarHBondContact O-CA 3.31Å; R177-I185 HydrophobicContact CB-CD1 3.88Å; R177-I185 HydrophobicContact CG-CD1 4.34Å
178	I	92.5	Very high	94.6	Very high	35 Å²	35	34 Å²	34	18%	0.179	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-39.4	-180	-74	170.2	0	0	0	110.8	V77 R78 C81 E174 C175 I176	V77-I178 HydrophobicContact CB-CD1 3.43Å; V77-I178 VanDerWaalsContact CB-CD1 3.43Å; V77-I178 HydrophobicContact CG1-CB 4.25Å; V77-I178 HydrophobicContact CG1-CD1 3.24Å; V77-I178 HydrophobicContact CG1-CG1 4.28Å; V77-I178 HydrophobicContact CG1-CG2 4.41Å; V77-I178 HydrophobicContact CG2-CD1 4.37Å; R78-I178 HydrophobicContact CG-CG2 4.17Å; C81-I178 HydrophobicContact CB-CG2 4.41Å; E174-I178 HydrophobicContact CG-CD1 4.32Å; E174-I178 PolarHBondContact O-N 2.79Å; E174-I178 WeakPolarHBondContact OE1-CD1 3.35Å; C175-I178 PolarHBondContact O-N 3.48Å; I176-I178 VanDerWaalsContact C-N 3.32Å; I176-I178 PolarHBondContact O-N 2.81Å
179	R	92.6	Very high	94.5	Very high	41 Å²	41	35.3 Å²	35.3	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-68.3	-36	175.4	-176.1	61.3	-176.3	93.2	-11.5	112.9	L143 N146 C175 I176	L143-R179 HydrophobicContact CD2-CB 4Å; L143-R179 HydrophobicContact CD2-CG 4.38Å; N146-R179 PolarHBondContact OD1-NH2 3.38Å; C175-R179 PolarHBondContact O-N 2.73Å; I176-R179 PolarHBondContact O-N 2.9Å
180	F	93.5	Very high	94.4	Very high	4 Å²	4	36 Å²	36	2%	0.018	18%	0.183	C	C	.	.			trans	-128.3	83.5	-176.6	-52.6	-69.8	0	0	0	109.6	F142 I152 I153 F159 I176 R177 M182 A183 P229	F142-F180 WeakPolarHBondContact O-CE2 3.38Å; F142-F180 VanDerWaalsContact O-CZ 3.27Å; F142-F180 WeakPolarHBondContact O-CZ 3.32Å; I152-F180 HydrophobicContact CB-CE1 4.29Å; I152-F180 HydrophobicContact CB-CZ 4.27Å; I152-F180 HydrophobicContact CD1-CZ 4.13Å; I152-F180 HydrophobicContact CG2-CE1 4.14Å; I152-F180 HydrophobicContact CG2-CE2 4.49Å; I152-F180 HydrophobicContact CG2-CZ 4.08Å; I153-F180 HydrophobicContact CG2-CD1 3.55Å; I153-F180 HydrophobicContact CG2-CE1 3.94Å; F159-F180 HydrophobicContact CZ-CE2 4.48Å; I176-F180 HydrophobicContact CG2-CD2 3.83Å; I176-F180 HydrophobicContact CG2-CE2 4.47Å; I176-F180 WeakPolarHBondContact O-CB 3.4Å; I176-F180 WeakPolarHBondContact O-CD2 3.38Å; I176-F180 PolarHBondContact O-N 3.39Å; R177-F180 CarbonylContact O-C 3.57Å; R177-F180 PolarHBondContact O-N 2.95Å; R177-F180 VanDerWaalsContact O-O 3.09Å; F180-M182 PolarHBondContact O-N 2.87Å; F180-A183 HydrophobicContact CB-CB 4.14Å; F180-A183 WeakPolarHBondContact O-CB 3.44Å; F180-A183 PolarHBondContact O-N 2.91Å; F180-P229 HydrophobicContact CB-CG 3.88Å; F180-P229 HydrophobicContact CD2-CG 4.21Å; F180-P229 HydrophobicContact CG-CG 4.04Å
181	P	92.4	Very high	94.5	Very high	97 Å²	97	34.2 Å²	34.2	63%	0.63	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.6	-174.8	-29.7	36.9	0	0	0	115.1	R177 A183	R177-P181 VanDerWaalsContact O-CA 3.28Å; R177-P181 WeakPolarHBondContact O-CA 3.31Å; P181-A183 VanDerWaalsContact C-N 3.32Å
182	M	91.3	Very high	94.5	Very high	114 Å²	114	32.9 Å²	32.9	56%	0.562	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.9	177.6	-61	-62.1	99.5	0	0	114	F180 K184 Y312	F180-M182 PolarHBondContact O-N 2.87Å; M182-K184 PolarHBondContact O-N 3.18Å; M182-Y312 HydrophobicContact CB-CE1 4.4Å; M182-Y312 WeakPolarHBondContact CB-OH 3.47Å; M182-Y312 HydrophobicContact CG-CE1 4.4Å
183	A	95	Very high	94.4	Very high	11 Å²	11	35.4 Å²	35.4	9%	0.091	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-59.5	135.7	-179.9	0	0	0	0	0	111.4	F180 P181 P229 V231	F180-A183 HydrophobicContact CB-CB 4.14Å; F180-A183 WeakPolarHBondContact O-CB 3.44Å; F180-A183 PolarHBondContact O-N 2.91Å; P181-A183 VanDerWaalsContact C-N 3.32Å; A183-P229 VanDerWaalsContact CA-O 3.27Å; A183-P229 WeakPolarHBondContact CA-O 3.45Å; A183-P229 HydrophobicContact CB-CG 3.83Å; A183-V231 HydrophobicContact CB-CG2 4.43Å
184	K	96.5	Very high	94.2	Very high	85 Å²	85	38.2 Å²	38.2	37%	0.37	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.7	173.2	-62.7	-60.4	-174.3	180	0	109.3	M182 F186 Y227 P229 I230 V231	M182-K184 PolarHBondContact O-N 3.18Å; K184-F186 HydrophobicContact CB-CE2 3.59Å; K184-F186 HydrophobicContact CB-CZ 3.74Å; K184-Y227 HydrophobicContact CG-CD1 4.25Å; K184-Y227 HydrophobicContact CG-CD2 4.22Å; K184-Y227 HydrophobicContact CG-CG 3.9Å; K184-P229 PolarHBondContact N-O 3.07Å; K184-I230 CarbonylContact O-C 3.58Å; K184-I230 WeakPolarHBondContact O-CA 3.35Å; K184-V231 PolarHBondContact O-N 3.06Å
185	I	97.7	Very high	94	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.087	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.1	179.4	-51.2	-174.6	0	0	0	109.1	S173 R177 V231 D233	S173-I185 VanDerWaalsContact O-CD1 3.31Å; S173-I185 WeakPolarHBondContact O-CD1 3.42Å; R177-I185 HydrophobicContact CB-CD1 3.88Å; R177-I185 HydrophobicContact CG-CD1 4.34Å; I185-V231 CarbonylContact C-O 3.58Å; I185-V231 WeakPolarHBondContact CA-O 3.43Å; I185-V231 HydrophobicContact CB-CB 4.41Å; I185-V231 HydrophobicContact CG1-CB 4.01Å; I185-V231 HydrophobicContact CG1-CG2 4.24Å; I185-V231 HydrophobicContact CG2-CB 4.32Å; I185-V231 HydrophobicContact CG2-CG1 4.44Å; I185-D233 HydrophobicContact CG2-CB 4.06Å
186	F	98	Very high	93.6	Very high	29 Å²	29	43 Å²	43	13%	0.127	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.7	176.5	-57.7	-74.7	0	0	0	110	K184 N218 V219 A222 I230 V231 I232 D233	K184-F186 HydrophobicContact CB-CE2 3.59Å; K184-F186 HydrophobicContact CB-CZ 3.74Å; F186-N218 HydrophobicContact CD1-CB 3.72Å; F186-N218 HydrophobicContact CE1-CB 3.76Å; F186-V219 HydrophobicContact CB-CG2 3.62Å; F186-V219 HydrophobicContact CD1-CG2 4.34Å; F186-V219 HydrophobicContact CD2-CG2 3.61Å; F186-V219 HydrophobicContact CE2-CG2 4.38Å; F186-V219 HydrophobicContact CG-CG2 3.58Å; F186-A222 HydrophobicContact CE2-CB 3.62Å; F186-A222 HydrophobicContact CZ-CB 3.46Å; F186-A222 VanDerWaalsContact CZ-CB 3.46Å; F186-I230 HydrophobicContact CD2-CG2 3.85Å; F186-I230 HydrophobicContact CE2-CG2 3.94Å; F186-V231 PolarHBondContact N-O 2.89Å; F186-I232 HydrophobicContact CB-CD1 4.37Å; F186-I232 HydrophobicContact CD2-CD1 4.35Å; F186-D233 PolarHBondContact O-N 2.89Å
187	S	97	Very high	93.2	Very high	4 Å²	4	50 Å²	50	3%	0.028	25%	0.247	C	C	.	.			trans	-133.9	145.1	169.8	-172.5	0	0	0	0	109.5	D189 D190 D233 N234	S187-D189 PolarHBondContact O-N 2.68Å; S187-D189 PolarHBondContact OG-N 3.46Å; S187-D189 VanDerWaalsContact OG-N 3.15Å; S187-D190 PolarHBondContact N-OD2 3.19Å; S187-D190 WeakPolarHBondContact O-CB 3.45Å; S187-D190 PolarHBondContact O-N 3.17Å; S187-D233 WeakPolarHBondContact CB-O 3.29Å; S187-D233 PolarHBondContact OG-O 2.87Å; S187-N234 PolarHBondContact OG-OD1 2.87Å
188	A	95.4	Very high	92.8	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24.5	167.9	0	0	0	0	0	110.8	D190 F191 C215 N234	A188-D190 PolarHBondContact O-N 2.73Å; A188-F191 VanDerWaalsContact O-CB 3.31Å; A188-F191 WeakPolarHBondContact O-CB 3.36Å; A188-F191 PolarHBondContact O-N 2.93Å; A188-C215 HydrophobicContact CB-CB 4.18Å; A188-N234 PolarHBondContact N-OD1 3.43Å
189	D	93.2	Very high	92.4	Very high	50 Å²	50	48.5 Å²	48.5	27%	0.267	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-68.1	-21.5	178.5	-67.8	-21.6	0	0	0	112.5	S187 F191 W192 Y193 Y201 H278	S187-D189 PolarHBondContact O-N 2.68Å; S187-D189 PolarHBondContact OG-N 3.46Å; S187-D189 VanDerWaalsContact OG-N 3.15Å; D189-F191 PolarHBondContact O-N 2.64Å; D189-W192 PolarHBondContact O-N 3.02Å; D189-Y193 VanDerWaalsContact O-CD2 3.28Å; D189-Y193 WeakPolarHBondContact O-CD2 3.46Å; D189-Y193 WeakPolarHBondContact O-CE2 3.48Å; D189-Y201 HydrophobicContact CB-CE2 4.2Å; D189-H278 IonicContact OD2-CD2 3.76Å; D189-H278 IonicContact OD2-NE2 2.84Å
190	D	94	Very high	92.2	Very high	32 Å²	32	52.5 Å²	52.5	17%	0.171	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.4	-24.8	176.3	-68.9	-27.7	0	0	0	111.9	R61 S187 A188 W192 Y193 W214	R61-D190 IonicContact NH1-OD1 2.89Å; R61-D190 PolarHBondContact NH1-OD1 3.05Å; R61-D190 IonicContact NH1-OD2 3.61Å; R61-D190 PolarHBondContact NH1-OD2 2.96Å; S187-D190 PolarHBondContact N-OD2 3.19Å; S187-D190 WeakPolarHBondContact O-CB 3.45Å; S187-D190 PolarHBondContact O-N 3.17Å; A188-D190 PolarHBondContact O-N 2.73Å; D190-W192 VanDerWaalsContact C-N 3.32Å; D190-W192 PolarHBondContact O-N 3.19Å; D190-Y193 PolarHBondContact O-N 2.89Å; D190-W214 HydrophobicContact CB-CH2 3.84Å; D190-W214 HydrophobicContact CB-CZ3 3.8Å
191	F	95.3	Very high	92.1	Very high	12 Å²	12	55.4 Å²	55.4	5%	0.053	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63.3	-37.2	177.1	-180	-95.3	0	0	0	112.5	A188 D189 Y193 L194 E210 A211 W214	A188-F191 VanDerWaalsContact O-CB 3.31Å; A188-F191 WeakPolarHBondContact O-CB 3.36Å; A188-F191 PolarHBondContact O-N 2.93Å; D189-F191 PolarHBondContact O-N 2.64Å; F191-Y193 PolarHBondContact O-N 2.78Å; F191-Y193 VanDerWaalsContact O-N 3.11Å; F191-L194 HydrophobicContact CD2-CD1 3.64Å; F191-L194 HydrophobicContact CE2-CD1 4.13Å; F191-L194 HydrophobicContact CG-CD1 4.26Å; F191-L194 WeakPolarHBondContact O-CB 3.25Å; F191-L194 VanDerWaalsContact O-CG 3.3Å; F191-L194 WeakPolarHBondContact O-CG 3.22Å; F191-L194 PolarHBondContact O-N 2.73Å; F191-E210 HydrophobicContact CE2-CG 4.03Å; F191-E210 HydrophobicContact CZ-CB 4.27Å; F191-E210 VanDerWaalsContact CZ-CD 3.43Å; F191-E210 HydrophobicContact CZ-CG 3.72Å; F191-A211 HydrophobicContact CB-CB 3.79Å; F191-A211 HydrophobicContact CD1-CB 3.47Å; F191-A211 VanDerWaalsContact CD1-CB 3.47Å; F191-A211 HydrophobicContact CD2-CB 4.49Å; F191-A211 HydrophobicContact CE1-CB 4.15Å; F191-A211 HydrophobicContact CG-CB 3.67Å; F191-W214 HydrophobicContact CB-CD2 4.42Å; F191-W214 HydrophobicContact CB-CE3 4.09Å; F191-W214 HydrophobicContact CD2-CB 3.66Å; F191-W214 HydrophobicContact CD2-CD2 4.04Å; F191-W214 AromaticContact CD2-CG 3.65Å; F191-W214 HydrophobicContact CD2-CG 3.65Å; F191-W214 HydrophobicContact CE2-CB 4.14Å; F191-W214 HydrophobicContact CE2-CG 4.3Å
192	W	94.1	Very high	92	Very high	7 Å²	7	54.4 Å²	54.4	3%	0.027	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-73.3	-4	-175	-52.5	117.2	0	0	0	114.1	D189 D190 Y201 Q202 F203 D204 R207 L208 A211	D189-W192 PolarHBondContact O-N 3.02Å; D190-W192 VanDerWaalsContact C-N 3.32Å; D190-W192 PolarHBondContact O-N 3.19Å; W192-Y201 HydrophobicContact CB-CD2 3.74Å; W192-Y201 HydrophobicContact CB-CE2 3.68Å; W192-Y201 HydrophobicContact CB-CG 4.38Å; W192-Y201 AromaticContact CD1-CE2 3.45Å; W192-Y201 VanDerWaalsContact CD1-CE2 3.45Å; W192-Y201 AromaticContact CD1-CZ 3.69Å; W192-Y201 HydrophobicContact CG-CD2 4.41Å; W192-Y201 AromaticContact CG-CE2 3.85Å; W192-Y201 HydrophobicContact CG-CE2 3.85Å; W192-Q202 PolarHBondContact O-N 3.45Å; W192-F203 HydrophobicContact CD2-CD2 4.1Å; W192-F203 AromaticContact CE2-CD2 3.58Å; W192-F203 HydrophobicContact CH2-CD2 4.37Å; W192-F203 AromaticContact CZ2-CD2 3.74Å; W192-F203 HydrophobicContact CZ2-CD2 3.74Å; W192-F203 AromaticContact CZ2-CE2 3.84Å; W192-F203 HydrophobicContact CZ2-CE2 3.84Å; W192-F203 AromaticContact NE1-CD2 3.74Å; W192-D204 WeakPolarHBondContact CH2-O 3.13Å; W192-D204 HydrophobicContact CZ3-CB 4Å; W192-D204 VanDerWaalsContact CZ3-N 3.25Å; W192-D204 WeakPolarHBondContact CZ3-O 3.48Å; W192-R207 HydrophobicContact CH2-CB 3.99Å; W192-R207 HydrophobicContact CZ3-CB 4.01Å; W192-L208 HydrophobicContact CZ2-CD1 4.26Å; W192-A211 HydrophobicContact CH2-CB 3.96Å; W192-A211 HydrophobicContact CZ2-CB 3.5Å
193	Y	92.3	Very high	92	Very high	58 Å²	58	54 Å²	54	23%	0.227	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-100.1	-8	173.6	-63.7	-84.2	0	0	0	112.7	D189 D190 F191 S196 N197 G198 Y201	D189-Y193 VanDerWaalsContact O-CD2 3.28Å; D189-Y193 WeakPolarHBondContact O-CD2 3.46Å; D189-Y193 WeakPolarHBondContact O-CE2 3.48Å; D190-Y193 PolarHBondContact O-N 2.89Å; F191-Y193 PolarHBondContact O-N 2.78Å; F191-Y193 VanDerWaalsContact O-N 3.11Å; Y193-S196 PolarHBondContact O-N 2.81Å; Y193-S196 PolarHBondContact O-OG 3.35Å; Y193-S196 VanDerWaalsContact O-OG 3.08Å; Y193-N197 PolarHBondContact O-N 3.2Å; Y193-G198 WeakPolarHBondContact O-CA 3.44Å; Y193-G198 PolarHBondContact O-N 2.89Å; Y193-Y201 HydrophobicContact CD2-CD2 4.33Å; Y193-Y201 HydrophobicContact CE1-CD2 4.32Å; Y193-Y201 AromaticContact CE2-CD2 3.68Å; Y193-Y201 HydrophobicContact CE2-CD2 3.68Å; Y193-Y201 HydrophobicContact CE2-CE2 4.43Å; Y193-Y201 AromaticContact CZ-CD2 3.68Å
194	L	91.4	Very high	91.8	Very high	61 Å²	61	56.4 Å²	56.4	32%	0.319	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-44.6	-172.3	-65.8	175.7	0	0	0	112.3	F191 S196 N197 W214	F191-L194 HydrophobicContact CD2-CD1 3.64Å; F191-L194 HydrophobicContact CE2-CD1 4.13Å; F191-L194 HydrophobicContact CG-CD1 4.26Å; F191-L194 WeakPolarHBondContact O-CB 3.25Å; F191-L194 VanDerWaalsContact O-CG 3.3Å; F191-L194 WeakPolarHBondContact O-CG 3.22Å; F191-L194 PolarHBondContact O-N 2.73Å; L194-S196 VanDerWaalsContact C-N 3.27Å; L194-S196 PolarHBondContact O-N 3.06Å; L194-N197 PolarHBondContact O-N 3.48Å; L194-N197 VanDerWaalsContact O-N 3.12Å; L194-W214 HydrophobicContact CD1-CD2 4.36Å; L194-W214 HydrophobicContact CD1-CZ2 4.09Å; L194-W214 HydrophobicContact CD2-CZ2 4.15Å
195	E	88.2	Confident	91.6	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.1	-176.4	-65.2	-172.8	163.8	0	0	113.1	N197 R207	E195-N197 VanDerWaalsContact C-N 3.32Å; E195-R207 IonicContact OE1-CZ 3.33Å; E195-R207 IonicContact OE1-NH1 3.49Å; E195-R207 PolarHBondContact OE1-NH1 2.75Å; E195-R207 IonicContact OE1-NH2 2.77Å; E195-R207 PolarHBondContact OE1-NH2 3.22Å; E195-R207 IonicContact OE2-NH1 3.02Å; E195-R207 PolarHBondContact OE2-NH1 2.78Å; E195-R207 VanDerWaalsContact OE2-NH1 3.15Å
196	S	86.6	Confident	91.5	Very high	18 Å²	18	62.2 Å²	62.2	13%	0.126	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	12	175.8	65.7	0	0	0	0	112.9	Y193 L194 G198 C199 E200	Y193-S196 PolarHBondContact O-N 2.81Å; Y193-S196 PolarHBondContact O-OG 3.35Å; Y193-S196 VanDerWaalsContact O-OG 3.08Å; L194-S196 VanDerWaalsContact C-N 3.27Å; L194-S196 PolarHBondContact O-N 3.06Å; S196-G198 PolarHBondContact O-N 3.25Å; S196-G198 VanDerWaalsContact O-N 3.16Å; S196-C199 VanDerWaalsContact O-CB 3.28Å; S196-C199 WeakPolarHBondContact O-CB 3.44Å; S196-C199 PolarHBondContact O-N 3.46Å; S196-C199 PolarHBondContact O-SG 2.94Å; S196-C199 PolarHBondContact OG-N 3.27Å; S196-E200 WeakPolarHBondContact CB-O 3.35Å; S196-E200 PolarHBondContact OG-N 3.25Å; S196-E200 PolarHBondContact OG-O 3.05Å
197	N	86.4	Confident	91.3	Very high	147 Å²	147	63.4 Å²	63.4	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	34.6	-174.6	-66.4	-33.8	0	0	0	113.6	Y193 L194 E195	Y193-N197 PolarHBondContact O-N 3.2Å; L194-N197 PolarHBondContact O-N 3.48Å; L194-N197 VanDerWaalsContact O-N 3.12Å; E195-N197 VanDerWaalsContact C-N 3.32Å
198	G	84.9	Confident	91.2	Very high	15 Å²	15	66.3 Å²	66.3	16%	0.155	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-8.8	-179.4	0	0	0	0	0	115.1	Y193 S196	Y193-G198 WeakPolarHBondContact O-CA 3.44Å; Y193-G198 PolarHBondContact O-N 2.89Å; S196-G198 PolarHBondContact O-N 3.25Å; S196-G198 VanDerWaalsContact O-N 3.16Å
199	C	85.1	Confident	91.1	Very high	99 Å²	99	70.9 Å²	70.9	67%	0.669	38%	0.376	S	S	*	.	S	Bend	trans	-82.7	-40.5	-167.1	-63.7	0	0	0	0	114.2	S196	S196-C199 VanDerWaalsContact O-CB 3.28Å; S196-C199 WeakPolarHBondContact O-CB 3.44Å; S196-C199 PolarHBondContact O-N 3.46Å; S196-C199 PolarHBondContact O-SG 2.94Å; S196-C199 PolarHBondContact OG-N 3.27Å
200	E	89	Confident	91.3	Very high	125 Å²	125	72.8 Å²	72.8	58%	0.584	38%	0.383	S	S	*	.			trans	-133.5	139.5	-171.5	-65.2	-173.8	168.1	0	0	112	S196 Q202	S196-E200 WeakPolarHBondContact CB-O 3.35Å; S196-E200 PolarHBondContact OG-N 3.25Å; S196-E200 PolarHBondContact OG-O 3.05Å; E200-Q202 HydrophobicContact CB-CG 4.37Å; E200-Q202 PolarHBondContact O-N 3.41Å
201	Y	90.1	Very high	91.4	Very high	65 Å²	65	71.3 Å²	71.3	26%	0.255	38%	0.375	S	S	.	.			trans	-81.8	110.4	175	-178.6	-96.5	0	0	0	110.2	D189 W192 Y193 F203 H278	D189-Y201 HydrophobicContact CB-CE2 4.2Å; W192-Y201 HydrophobicContact CB-CD2 3.74Å; W192-Y201 HydrophobicContact CB-CE2 3.68Å; W192-Y201 HydrophobicContact CB-CG 4.38Å; W192-Y201 AromaticContact CD1-CE2 3.45Å; W192-Y201 VanDerWaalsContact CD1-CE2 3.45Å; W192-Y201 AromaticContact CD1-CZ 3.69Å; W192-Y201 HydrophobicContact CG-CD2 4.41Å; W192-Y201 AromaticContact CG-CE2 3.85Å; W192-Y201 HydrophobicContact CG-CE2 3.85Å; Y193-Y201 HydrophobicContact CD2-CD2 4.33Å; Y193-Y201 HydrophobicContact CE1-CD2 4.32Å; Y193-Y201 AromaticContact CE2-CD2 3.68Å; Y193-Y201 HydrophobicContact CE2-CD2 3.68Å; Y193-Y201 HydrophobicContact CE2-CE2 4.43Å; Y193-Y201 AromaticContact CZ-CD2 3.68Å; Y201-F203 HydrophobicContact CD1-CB 4.22Å; Y201-F203 HydrophobicContact CE1-CB 3.47Å; Y201-F203 VanDerWaalsContact CE1-CB 3.47Å; Y201-F203 HydrophobicContact CE1-CG 4.37Å; Y201-H278 AromaticContact CD1-ND1 3.87Å; Y201-H278 AromaticContact CD2-CE1 3.74Å; Y201-H278 AromaticContact CD2-ND1 3.49Å; Y201-H278 WeakPolarHBondContact CD2-ND1 3.38Å; Y201-H278 HydrophobicContact CE1-CB 3.95Å; Y201-H278 AromaticContact CE1-ND1 3.76Å; Y201-H278 AromaticContact CE2-CE1 3.65Å; Y201-H278 AromaticContact CE2-ND1 3.36Å; Y201-H278 WeakPolarHBondContact CE2-ND1 3.29Å; Y201-H278 AromaticContact CG-ND1 3.75Å; Y201-H278 AromaticContact CZ-CG 3.82Å; Y201-H278 AromaticContact CZ-ND1 3.54Å
202	Q	89.7	Confident	91.4	Very high	75 Å²	75	74 Å²	74	35%	0.35	39%	0.387	S	S	.	.			trans	-114.6	72.3	-173.4	-65.3	179.8	-13.5	0	0	111.2	W192 E200 D204	W192-Q202 PolarHBondContact O-N 3.45Å; E200-Q202 HydrophobicContact CB-CG 4.37Å; E200-Q202 PolarHBondContact O-N 3.41Å; Q202-D204 PolarHBondContact O-N 2.93Å
203	F	91.5	Very high	91.5	Very high	107 Å²	107	79.4 Å²	79.4	47%	0.469	41%	0.413	S	S	.	.			trans	-69.9	125.7	-178.4	178.9	-96.5	0	0	0	112.7	W192 Y201 I205 L208	W192-F203 HydrophobicContact CD2-CD2 4.1Å; W192-F203 AromaticContact CE2-CD2 3.58Å; W192-F203 HydrophobicContact CH2-CD2 4.37Å; W192-F203 AromaticContact CZ2-CD2 3.74Å; W192-F203 HydrophobicContact CZ2-CD2 3.74Å; W192-F203 AromaticContact CZ2-CE2 3.84Å; W192-F203 HydrophobicContact CZ2-CE2 3.84Å; W192-F203 AromaticContact NE1-CD2 3.74Å; Y201-F203 HydrophobicContact CD1-CB 4.22Å; Y201-F203 HydrophobicContact CE1-CB 3.47Å; Y201-F203 VanDerWaalsContact CE1-CB 3.47Å; Y201-F203 HydrophobicContact CE1-CG 4.37Å; F203-I205 HydrophobicContact CE1-CB 3.95Å; F203-I205 HydrophobicContact CZ-CB 4.2Å; F203-I205 HydrophobicContact CZ-CG1 4.47Å; F203-L208 HydrophobicContact CE2-CD1 4.37Å
204	D	91.6	Very high	91.8	Very high	61 Å²	61	80.1 Å²	80.1	33%	0.326	42%	0.415	S	S	.	.			trans	-127.8	109.3	172.7	178.9	-2.3	0	0	0	110.2	W192 Q202 S206 R207	W192-D204 WeakPolarHBondContact CH2-O 3.13Å; W192-D204 HydrophobicContact CZ3-CB 4Å; W192-D204 VanDerWaalsContact CZ3-N 3.25Å; W192-D204 WeakPolarHBondContact CZ3-O 3.48Å; Q202-D204 PolarHBondContact O-N 2.93Å; D204-S206 PolarHBondContact O-N 2.95Å; D204-S206 VanDerWaalsContact O-N 3.08Å; D204-S206 VanDerWaalsContact OD1-CB 3.31Å; D204-S206 WeakPolarHBondContact OD1-CB 3.44Å; D204-S206 PolarHBondContact OD1-N 2.88Å; D204-S206 PolarHBondContact OD1-OG 2.78Å; D204-S206 PolarHBondContact OD2-OG 2.91Å; D204-R207 HydrophobicContact CB-CB 4.5Å; D204-R207 PolarHBondContact O-N 2.98Å; D204-R207 WeakPolarHBondContact OD2-CD 3.48Å
205	I	91.9	Very high	92.1	Very high	127 Å²	127	77.2 Å²	77.2	65%	0.651	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-56.9	-28.9	-179.1	-165.3	168.5	0	0	0	113.1	F203 R207 L208	F203-I205 HydrophobicContact CE1-CB 3.95Å; F203-I205 HydrophobicContact CZ-CB 4.2Å; F203-I205 HydrophobicContact CZ-CG1 4.47Å; I205-R207 PolarHBondContact O-N 2.86Å; I205-L208 WeakPolarHBondContact O-CB 3.46Å; I205-L208 PolarHBondContact O-N 2.69Å
206	S	95	Very high	92.5	Very high	96 Å²	96	73.7 Å²	73.7	67%	0.671	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67.6	-19.9	179.6	77	0	0	0	0	112.9	D204	D204-S206 PolarHBondContact O-N 2.95Å; D204-S206 VanDerWaalsContact O-N 3.08Å; D204-S206 VanDerWaalsContact OD1-CB 3.31Å; D204-S206 WeakPolarHBondContact OD1-CB 3.44Å; D204-S206 PolarHBondContact OD1-N 2.88Å; D204-S206 PolarHBondContact OD1-OG 2.78Å; D204-S206 PolarHBondContact OD2-OG 2.91Å
207	R	95.4	Very high	93	Very high	54 Å²	54	76.6 Å²	76.6	20%	0.204	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-108.3	11.3	-179	-63.8	173.7	64.1	-166.2	11.2	113.1	W192 E195 D204 I205 S209 E210 A211	W192-R207 HydrophobicContact CH2-CB 3.99Å; W192-R207 HydrophobicContact CZ3-CB 4.01Å; E195-R207 IonicContact OE1-CZ 3.33Å; E195-R207 IonicContact OE1-NH1 3.49Å; E195-R207 PolarHBondContact OE1-NH1 2.75Å; E195-R207 IonicContact OE1-NH2 2.77Å; E195-R207 PolarHBondContact OE1-NH2 3.22Å; E195-R207 IonicContact OE2-NH1 3.02Å; E195-R207 PolarHBondContact OE2-NH1 2.78Å; E195-R207 VanDerWaalsContact OE2-NH1 3.15Å; D204-R207 HydrophobicContact CB-CB 4.5Å; D204-R207 PolarHBondContact O-N 2.98Å; D204-R207 WeakPolarHBondContact OD2-CD 3.48Å; I205-R207 PolarHBondContact O-N 2.86Å; R207-S209 PolarHBondContact O-N 2.69Å; R207-E210 HydrophobicContact CB-CB 4.42Å; R207-E210 IonicContact CZ-OE2 3.69Å; R207-E210 IonicContact NE-OE2 2.8Å; R207-E210 PolarHBondContact NE-OE2 2.84Å; R207-E210 IonicContact NH2-OE1 2.63Å; R207-E210 IonicContact NH2-OE2 3.7Å; R207-E210 WeakPolarHBondContact O-CA 3.34Å; R207-E210 WeakPolarHBondContact O-CB 3.37Å; R207-E210 PolarHBondContact O-N 2.89Å; R207-A211 PolarHBondContact O-N 3.22Å
208	L	93.4	Very high	93.6	Very high	66 Å²	66	71.8 Å²	71.8	35%	0.346	37%	0.372	S	S	.	.	H	α-helix	trans	-57.3	-38.5	-179	-178.3	61.9	0	0	0	112.4	W192 F203 I205 A211 H212	W192-L208 HydrophobicContact CZ2-CD1 4.26Å; F203-L208 HydrophobicContact CE2-CD1 4.37Å; I205-L208 WeakPolarHBondContact O-CB 3.46Å; I205-L208 PolarHBondContact O-N 2.69Å; L208-A211 PolarHBondContact O-N 2.94Å; L208-H212 PolarHBondContact O-CD2 2.88Å; L208-H212 VanDerWaalsContact O-CD2 3.23Å; L208-H212 PolarHBondContact O-N 2.88Å; L208-H212 VanDerWaalsContact O-N 3.11Å
209	S	94.5	Very high	94.2	Very high	99 Å²	99	71 Å²	71	69%	0.692	36%	0.364	S	S	*	.	H	α-helix	trans	-63.8	-40.9	175.1	-64	0	0	0	0	112.4	R207 H212 E213	R207-S209 PolarHBondContact O-N 2.69Å; S209-H212 PolarHBondContact O-N 2.83Å; S209-E213 WeakPolarHBondContact O-CB 3.39Å; S209-E213 PolarHBondContact O-N 2.98Å
210	E	96.9	Very high	94.8	Very high	90 Å²	90	70.5 Å²	70.5	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-44.7	177	-170.2	-171.5	175.2	0	0	110.9	F191 R207 H212 E213 W214	F191-E210 HydrophobicContact CE2-CG 4.03Å; F191-E210 HydrophobicContact CZ-CB 4.27Å; F191-E210 VanDerWaalsContact CZ-CD 3.43Å; F191-E210 HydrophobicContact CZ-CG 3.72Å; R207-E210 HydrophobicContact CB-CB 4.42Å; R207-E210 IonicContact CZ-OE2 3.69Å; R207-E210 IonicContact NE-OE2 2.8Å; R207-E210 PolarHBondContact NE-OE2 2.84Å; R207-E210 IonicContact NH2-OE1 2.63Å; R207-E210 IonicContact NH2-OE2 3.7Å; R207-E210 WeakPolarHBondContact O-CA 3.34Å; R207-E210 WeakPolarHBondContact O-CB 3.37Å; R207-E210 PolarHBondContact O-N 2.89Å; E210-H212 VanDerWaalsContact C-N 3.34Å; E210-H212 PolarHBondContact O-N 3.18Å; E210-E213 PolarHBondContact O-N 2.61Å; E210-W214 WeakPolarHBondContact O-CB 3.48Å; E210-W214 PolarHBondContact O-N 3.31Å
211	A	96	Very high	95.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.3	-43.6	176.7	0	0	0	0	0	112.4	F191 W192 R207 L208 C215	F191-A211 HydrophobicContact CB-CB 3.79Å; F191-A211 HydrophobicContact CD1-CB 3.47Å; F191-A211 VanDerWaalsContact CD1-CB 3.47Å; F191-A211 HydrophobicContact CD2-CB 4.49Å; F191-A211 HydrophobicContact CE1-CB 4.15Å; F191-A211 HydrophobicContact CG-CB 3.67Å; W192-A211 HydrophobicContact CH2-CB 3.96Å; W192-A211 HydrophobicContact CZ2-CB 3.5Å; R207-A211 PolarHBondContact O-N 3.22Å; L208-A211 PolarHBondContact O-N 2.94Å; A211-C215 PolarHBondContact O-N 2.91Å
212	H	95.6	Very high	95.5	Very high	69 Å²	69	65.9 Å²	65.9	32%	0.319	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-40.6	175.4	-79.1	-59.4	0	0	0	112.5	L208 S209 E210 C215 H216	L208-H212 PolarHBondContact O-CD2 2.88Å; L208-H212 VanDerWaalsContact O-CD2 3.23Å; L208-H212 PolarHBondContact O-N 2.88Å; L208-H212 VanDerWaalsContact O-N 3.11Å; S209-H212 PolarHBondContact O-N 2.83Å; E210-H212 VanDerWaalsContact C-N 3.34Å; E210-H212 PolarHBondContact O-N 3.18Å; H212-C215 PolarHBondContact O-N 2.74Å; H212-H216 WeakPolarHBondContact O-CB 3.08Å; H212-H216 PolarHBondContact O-CD2 2.67Å; H212-H216 PolarHBondContact O-N 3Å; H212-H216 PolarHBondContact O-ND1 3.01Å
213	E	96.7	Very high	95.7	Very high	121 Å²	121	62.4 Å²	62.4	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-62.8	-42.6	175.8	-175.9	170.5	-171.6	0	0	111.9	S209 E210 C215 H216 N217	S209-E213 WeakPolarHBondContact O-CB 3.39Å; S209-E213 PolarHBondContact O-N 2.98Å; E210-E213 PolarHBondContact O-N 2.61Å; E213-C215 PolarHBondContact O-N 3.01Å; E213-H216 WeakPolarHBondContact O-CB 3.47Å; E213-H216 PolarHBondContact O-N 3.04Å; E213-N217 WeakPolarHBondContact O-CB 3.46Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 2.89Å; E213-N217 PolarHBondContact O-ND2 3.14Å
214	W	97.3	Very high	95.9	Very high	72 Å²	72	60.2 Å²	60.2	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-47.8	173.5	178.6	93	0	0	0	111.6	D190 F191 L194 E210 H216 N217 N218	D190-W214 HydrophobicContact CB-CH2 3.84Å; D190-W214 HydrophobicContact CB-CZ3 3.8Å; F191-W214 HydrophobicContact CB-CD2 4.42Å; F191-W214 HydrophobicContact CB-CE3 4.09Å; F191-W214 HydrophobicContact CD2-CB 3.66Å; F191-W214 HydrophobicContact CD2-CD2 4.04Å; F191-W214 AromaticContact CD2-CG 3.65Å; F191-W214 HydrophobicContact CD2-CG 3.65Å; F191-W214 HydrophobicContact CE2-CB 4.14Å; F191-W214 HydrophobicContact CE2-CG 4.3Å; L194-W214 HydrophobicContact CD1-CD2 4.36Å; L194-W214 HydrophobicContact CD1-CZ2 4.09Å; L194-W214 HydrophobicContact CD2-CZ2 4.15Å; E210-W214 WeakPolarHBondContact O-CB 3.48Å; E210-W214 PolarHBondContact O-N 3.31Å; W214-H216 PolarHBondContact O-N 2.82Å; W214-N217 PolarHBondContact O-N 3.46Å; W214-N218 VanDerWaalsContact CD2-ND2 3.26Å; W214-N218 WeakPolarHBondContact CH2-ND2 3.48Å; W214-N218 WeakPolarHBondContact CZ2-ND2 3.45Å; W214-N218 WeakPolarHBondContact CZ3-ND2 3.4Å; W214-N218 PolarHBondContact O-N 3.36Å; W214-N218 VanDerWaalsContact O-N 3.07Å; W214-N218 PolarHBondContact O-ND2 3.39Å
215	C	97.7	Very high	95.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-43.6	176.6	-177.2	0	0	0	0	111.5	A188 A211 H212 E213 N218 V219	A188-C215 HydrophobicContact CB-CB 4.18Å; A211-C215 PolarHBondContact O-N 2.91Å; H212-C215 PolarHBondContact O-N 2.74Å; E213-C215 PolarHBondContact O-N 3.01Å; C215-N218 PolarHBondContact O-N 2.94Å; C215-V219 WeakPolarHBondContact O-CG2 3.07Å; C215-V219 PolarHBondContact O-N 3.09Å
216	H	97.7	Very high	95.8	Very high	42 Å²	42	54.2 Å²	54.2	19%	0.194	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-46.2	177.2	-72.4	170.4	0	0	0	111.7	H212 E213 W214 N218 V219 Y220 Y244 Y245	H212-H216 WeakPolarHBondContact O-CB 3.08Å; H212-H216 PolarHBondContact O-CD2 2.67Å; H212-H216 PolarHBondContact O-N 3Å; H212-H216 PolarHBondContact O-ND1 3.01Å; E213-H216 WeakPolarHBondContact O-CB 3.47Å; E213-H216 PolarHBondContact O-N 3.04Å; W214-H216 PolarHBondContact O-N 2.82Å; H216-N218 PolarHBondContact O-N 3.48Å; H216-V219 PolarHBondContact O-N 3.29Å; H216-Y220 WeakPolarHBondContact O-CB 3.29Å; H216-Y220 PolarHBondContact O-N 2.88Å; H216-Y244 HydrophobicContact CB-CD1 4.07Å; H216-Y244 HydrophobicContact CB-CE1 3.54Å; H216-Y244 HydrophobicContact CB-CE2 4.02Å; H216-Y244 AromaticContact CD2-CD1 3.38Å; H216-Y244 WeakPolarHBondContact CD2-CD1 3.47Å; H216-Y244 AromaticContact CD2-CE1 3.78Å; H216-Y244 AromaticContact CD2-CG 3.75Å; H216-Y244 AromaticContact CE1-CG 3.89Å; H216-Y244 AromaticContact CG-CD1 3.61Å; H216-Y244 AromaticContact CG-CE1 3.65Å; H216-Y244 AromaticContact CG-CG 3.82Å; H216-Y244 AromaticContact CG-CZ 3.86Å; H216-Y244 AromaticContact ND1-CD2 3.89Å; H216-Y244 AromaticContact ND1-CG 3.91Å; H216-Y244 AromaticContact NE2-CD1 3.86Å; H216-Y244 AromaticContact NE2-CG 3.79Å; H216-Y244 PolarHBondContact O-OH 3.04Å; H216-Y245 AromaticContact CD2-CE1 3.9Å; H216-Y245 AromaticContact CD2-CZ 3.82Å; H216-Y245 PolarHBondContact CD2-OH 3.47Å; H216-Y245 AromaticContact NE2-CZ 3.9Å
217	N	97.7	Very high	95.8	Very high	78 Å²	78	54 Å²	54	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-40.7	178.5	-72.8	-25.8	0	0	0	112.3	E213 W214 Y220 N221	E213-N217 WeakPolarHBondContact O-CB 3.46Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 2.89Å; E213-N217 PolarHBondContact O-ND2 3.14Å; W214-N217 PolarHBondContact O-N 3.46Å; N217-Y220 WeakPolarHBondContact O-CB 3.25Å; N217-Y220 PolarHBondContact O-N 3.41Å; N217-N221 PolarHBondContact O-N 3.18Å; N217-N221 PolarHBondContact O-ND2 2.89Å
218	N	97.7	Very high	95.6	Very high	46 Å²	46	51.4 Å²	51.4	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-42.4	175.3	-73.4	-32.9	0	0	0	112.5	F186 W214 C215 H216 N221 A222	F186-N218 HydrophobicContact CD1-CB 3.72Å; F186-N218 HydrophobicContact CE1-CB 3.76Å; W214-N218 VanDerWaalsContact CD2-ND2 3.26Å; W214-N218 WeakPolarHBondContact CH2-ND2 3.48Å; W214-N218 WeakPolarHBondContact CZ2-ND2 3.45Å; W214-N218 WeakPolarHBondContact CZ3-ND2 3.4Å; W214-N218 PolarHBondContact O-N 3.36Å; W214-N218 VanDerWaalsContact O-N 3.07Å; W214-N218 PolarHBondContact O-ND2 3.39Å; C215-N218 PolarHBondContact O-N 2.94Å; H216-N218 PolarHBondContact O-N 3.48Å; N218-N221 PolarHBondContact O-N 3.12Å; N218-A222 WeakPolarHBondContact O-CB 3.32Å; N218-A222 PolarHBondContact O-N 3.37Å
219	V	97.9	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-43.4	174.5	174.3	0	0	0	0	110.8	M158 F186 C215 H216 N221 A222 V223 I232 Y245	M158-V219 HydrophobicContact CE-CG1 4.47Å; F186-V219 HydrophobicContact CB-CG2 3.62Å; F186-V219 HydrophobicContact CD1-CG2 4.34Å; F186-V219 HydrophobicContact CD2-CG2 3.61Å; F186-V219 HydrophobicContact CE2-CG2 4.38Å; F186-V219 HydrophobicContact CG-CG2 3.58Å; C215-V219 WeakPolarHBondContact O-CG2 3.07Å; C215-V219 PolarHBondContact O-N 3.09Å; H216-V219 PolarHBondContact O-N 3.29Å; V219-N221 PolarHBondContact O-N 2.97Å; V219-A222 WeakPolarHBondContact O-CB 3.28Å; V219-A222 PolarHBondContact O-N 2.8Å; V219-A222 VanDerWaalsContact O-N 3.09Å; V219-V223 HydrophobicContact CG1-CG1 4.33Å; V219-V223 WeakPolarHBondContact O-CG2 3.47Å; V219-V223 PolarHBondContact O-N 2.95Å; V219-I232 HydrophobicContact CB-CD1 4.49Å; V219-I232 HydrophobicContact CG1-CD1 4.07Å; V219-I232 HydrophobicContact CG2-CD1 3.52Å; V219-Y245 HydrophobicContact CG1-CD1 4.18Å; V219-Y245 HydrophobicContact CG2-CD1 4.36Å; V219-Y245 HydrophobicContact CG2-CE1 4.03Å
220	Y	97.8	Very high	95.8	Very high	87 Å²	87	43.6 Å²	43.6	34%	0.341	22%	0.215	S	C	.	.	H	α-helix	trans	-56.6	-48.7	176.4	180	-99.6	0	0	0	111.7	H216 N217 A222 V223 C224 M248 F252	H216-Y220 WeakPolarHBondContact O-CB 3.29Å; H216-Y220 PolarHBondContact O-N 2.88Å; N217-Y220 WeakPolarHBondContact O-CB 3.25Å; N217-Y220 PolarHBondContact O-N 3.41Å; Y220-A222 PolarHBondContact O-N 3.5Å; Y220-V223 WeakPolarHBondContact O-CG2 2.93Å; Y220-V223 PolarHBondContact O-N 3.35Å; Y220-C224 VanDerWaalsContact CE1-SG 3.59Å; Y220-C224 WeakPolarHBondContact O-CB 3.47Å; Y220-C224 PolarHBondContact O-N 3.48Å; Y220-C224 PolarHBondContact O-SG 3.36Å; Y220-M248 HydrophobicContact CD2-SD 3.84Å; Y220-M248 HydrophobicContact CE2-SD 4.46Å; Y220-F252 HydrophobicContact CE2-CE2 4.3Å; Y220-F252 HydrophobicContact CE2-CZ 4.18Å
221	N	97.1	Very high	95.9	Very high	90 Å²	90	39.3 Å²	39.3	48%	0.481	20%	0.195	S	C	.	.	H	α-helix	trans	-59.5	-38.2	176.3	-68.6	-24	0	0	0	111.6	N217 N218 V219 S225	N217-N221 PolarHBondContact O-N 3.18Å; N217-N221 PolarHBondContact O-ND2 2.89Å; N218-N221 PolarHBondContact O-N 3.12Å; V219-N221 PolarHBondContact O-N 2.97Å; N221-S225 WeakPolarHBondContact O-CB 3.33Å; N221-S225 PolarHBondContact O-N 3.46Å; N221-S225 PolarHBondContact O-OG 3.03Å
222	A	96.1	Very high	96	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-71.2	-42.1	-179.4	0	0	0	0	0	113.7	F186 N218 V219 Y220 S225 G226 Y227 I230	F186-A222 HydrophobicContact CE2-CB 3.62Å; F186-A222 HydrophobicContact CZ-CB 3.46Å; F186-A222 VanDerWaalsContact CZ-CB 3.46Å; N218-A222 WeakPolarHBondContact O-CB 3.32Å; N218-A222 PolarHBondContact O-N 3.37Å; V219-A222 WeakPolarHBondContact O-CB 3.28Å; V219-A222 PolarHBondContact O-N 2.8Å; V219-A222 VanDerWaalsContact O-N 3.09Å; Y220-A222 PolarHBondContact O-N 3.5Å; A222-S225 PolarHBondContact O-N 3.16Å; A222-G226 PolarHBondContact O-N 3.26Å; A222-G226 VanDerWaalsContact O-N 3.14Å; A222-Y227 HydrophobicContact CB-CD2 4.05Å; A222-Y227 PolarHBondContact O-N 3.48Å; A222-Y227 VanDerWaalsContact O-N 3.13Å; A222-I230 HydrophobicContact CB-CD1 3.93Å
223	V	95.3	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-69.2	-36.5	175.9	-62.2	0	0	0	0	111.6	M158 V219 Y220 S225 G226 I230 M248 F252 Y254	M158-V223 HydrophobicContact CE-CG1 3.81Å; V219-V223 HydrophobicContact CG1-CG1 4.33Å; V219-V223 WeakPolarHBondContact O-CG2 3.47Å; V219-V223 PolarHBondContact O-N 2.95Å; Y220-V223 WeakPolarHBondContact O-CG2 2.93Å; Y220-V223 PolarHBondContact O-N 3.35Å; V223-S225 VanDerWaalsContact C-N 3.27Å; V223-S225 PolarHBondContact O-N 2.97Å; V223-G226 PolarHBondContact O-N 2.98Å; V223-G226 VanDerWaalsContact O-N 3.08Å; V223-I230 HydrophobicContact CB-CD1 4.46Å; V223-I230 HydrophobicContact CG1-CD1 3.53Å; V223-M248 HydrophobicContact CG2-CB 4.49Å; V223-F252 HydrophobicContact CB-CB 4.15Å; V223-F252 HydrophobicContact CB-CD2 3.92Å; V223-F252 HydrophobicContact CB-CE2 4.48Å; V223-F252 HydrophobicContact CB-CG 3.99Å; V223-F252 HydrophobicContact CG2-CD2 3.47Å; V223-F252 VanDerWaalsContact CG2-CD2 3.47Å; V223-F252 HydrophobicContact CG2-CE2 3.6Å; V223-F252 HydrophobicContact CG2-CG 4Å; V223-F252 HydrophobicContact CG2-CZ 4.21Å; V223-Y254 HydrophobicContact CB-CE2 4Å; V223-Y254 HydrophobicContact CG1-CD2 4.43Å; V223-Y254 HydrophobicContact CG1-CE2 4.01Å
224	C	93.8	Very high	96.1	Very high	62 Å²	62	31.1 Å²	31.1	42%	0.419	16%	0.158	S	C	.	.	H	α-helix	trans	-61.1	-37.2	172.2	-74.8	0	0	0	0	112	Y220 G226 F252	Y220-C224 VanDerWaalsContact CE1-SG 3.59Å; Y220-C224 WeakPolarHBondContact O-CB 3.47Å; Y220-C224 PolarHBondContact O-N 3.48Å; Y220-C224 PolarHBondContact O-SG 3.36Å; C224-G226 VanDerWaalsContact C-N 3.26Å; C224-G226 PolarHBondContact O-N 2.97Å; C224-F252 VanDerWaalsContact SG-CZ 3.53Å
225	S	92.6	Very high	96	Very high	60 Å²	60	29.2 Å²	29.2	42%	0.42	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.2	176.7	-54.9	0	0	0	0	113.4	N221 A222 V223 Y227 S309	N221-S225 WeakPolarHBondContact O-CB 3.33Å; N221-S225 PolarHBondContact O-N 3.46Å; N221-S225 PolarHBondContact O-OG 3.03Å; A222-S225 PolarHBondContact O-N 3.16Å; V223-S225 VanDerWaalsContact C-N 3.27Å; V223-S225 PolarHBondContact O-N 2.97Å; S225-Y227 VanDerWaalsContact C-N 3.34Å; S225-Y227 PolarHBondContact O-N 2.84Å; S225-S309 WeakPolarHBondContact O-CB 3.4Å; S225-S309 PolarHBondContact O-OG 2.97Å
226	G	90.6	Very high	95.9	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	25.9	-179.5	0	0	0	0	0	114.7	A222 V223 C224 Y254 S309	A222-G226 PolarHBondContact O-N 3.26Å; A222-G226 VanDerWaalsContact O-N 3.14Å; V223-G226 PolarHBondContact O-N 2.98Å; V223-G226 VanDerWaalsContact O-N 3.08Å; C224-G226 VanDerWaalsContact C-N 3.26Å; C224-G226 PolarHBondContact O-N 2.97Å; G226-Y254 WeakPolarHBondContact CA-OH 3.45Å; G226-S309 PolarHBondContact O-N 3.02Å; G226-S309 PolarHBondContact O-OG 2.86Å
227	Y	93.4	Very high	95.8	Very high	91 Å²	91	27.5 Å²	27.5	36%	0.357	15%	0.146	S	C	.	.			trans	-62.7	142.2	176.2	-76.2	-62.9	0	0	0	111.5	K184 A222 S225 I230 Y254	K184-Y227 HydrophobicContact CG-CD1 4.25Å; K184-Y227 HydrophobicContact CG-CD2 4.22Å; K184-Y227 HydrophobicContact CG-CG 3.9Å; A222-Y227 HydrophobicContact CB-CD2 4.05Å; A222-Y227 PolarHBondContact O-N 3.48Å; A222-Y227 VanDerWaalsContact O-N 3.13Å; S225-Y227 VanDerWaalsContact C-N 3.34Å; S225-Y227 PolarHBondContact O-N 2.84Å; Y227-I230 WeakPolarHBondContact O-CG1 3.36Å; Y227-Y254 PolarHBondContact N-OH 3.1Å; Y227-Y254 WeakPolarHBondContact O-CE1 3.38Å; Y227-Y254 VanDerWaalsContact O-CZ 3.26Å; Y227-Y254 PolarHBondContact O-OH 2.82Å
228	S	92	Very high	95.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-152.2	145.3	176.4	-172.1	0	0	0	0	111.2	S155 F157 Y312	S155-S228 WeakPolarHBondContact O-CB 3.12Å; S155-S228 PolarHBondContact O-OG 3.3Å; F157-S228 PolarHBondContact N-OG 2.97Å; S228-Y312 PolarHBondContact O-OH 3.4Å
229	P	95.2	Very high	95.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.146	C	C	.	.	S	Bend	cis	-72	152.2	-11.7	30.1	-32.4	0	0	0	111.6	I152 F157 F159 F180 A183 K184	I152-P229 HydrophobicContact CG2-CB 4.09Å; I152-P229 HydrophobicContact CG2-CG 4.21Å; F157-P229 HydrophobicContact CB-CB 4.27Å; F157-P229 CarbonylContact O-C 3.58Å; F157-P229 VanDerWaalsContact O-CA 3.3Å; F157-P229 WeakPolarHBondContact O-CA 3.42Å; F159-P229 HydrophobicContact CD2-CB 3.9Å; F159-P229 HydrophobicContact CE2-CB 3.61Å; F159-P229 HydrophobicContact CE2-CG 4.14Å; F180-P229 HydrophobicContact CB-CG 3.88Å; F180-P229 HydrophobicContact CD2-CG 4.21Å; F180-P229 HydrophobicContact CG-CG 4.04Å; A183-P229 VanDerWaalsContact CA-O 3.27Å; A183-P229 WeakPolarHBondContact CA-O 3.45Å; A183-P229 HydrophobicContact CB-CG 3.83Å; K184-P229 PolarHBondContact N-O 3.07Å
230	I	97.4	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.1	168	-68.9	172.8	0	0	0	108.2	F157 M158 F159 K184 F186 A222 V223 Y227 I232 Y254	F157-I230 PolarHBondContact O-N 3.06Å; M158-I230 CarbonylContact C-O 3.57Å; M158-I230 VanDerWaalsContact CA-O 3.3Å; M158-I230 WeakPolarHBondContact CA-O 3.15Å; M158-I230 HydrophobicContact CE-CG2 4.41Å; M158-I230 HydrophobicContact CG-CB 4.4Å; M158-I230 HydrophobicContact CG-CG2 4.3Å; F159-I230 PolarHBondContact N-O 2.91Å; K184-I230 CarbonylContact O-C 3.58Å; K184-I230 WeakPolarHBondContact O-CA 3.35Å; F186-I230 HydrophobicContact CD2-CG2 3.85Å; F186-I230 HydrophobicContact CE2-CG2 3.94Å; A222-I230 HydrophobicContact CB-CD1 3.93Å; V223-I230 HydrophobicContact CB-CD1 4.46Å; V223-I230 HydrophobicContact CG1-CD1 3.53Å; Y227-I230 WeakPolarHBondContact O-CG1 3.36Å; I230-I232 HydrophobicContact CG2-CD1 3.76Å; I230-Y254 HydrophobicContact CD1-CE1 3.72Å; I230-Y254 HydrophobicContact CG1-CE1 4.16Å
231	V	98.2	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.2	177.9	-172.8	0	0	0	0	109.2	F159 L161 I176 A183 K184 I185 F186	F159-V231 HydrophobicContact CB-CB 4.48Å; F159-V231 HydrophobicContact CB-CG1 4.23Å; F159-V231 HydrophobicContact CB-CG2 4.31Å; F159-V231 HydrophobicContact CD2-CG2 4.07Å; F159-V231 CarbonylContact O-C 3.54Å; F159-V231 WeakPolarHBondContact O-CA 3.44Å; L161-V231 HydrophobicContact CD1-CG1 4.03Å; L161-V231 HydrophobicContact CD2-CG1 4.46Å; L161-V231 HydrophobicContact CG-CG1 4.07Å; I176-V231 HydrophobicContact CB-CG2 4.35Å; I176-V231 HydrophobicContact CD1-CG1 4.31Å; I176-V231 HydrophobicContact CD1-CG2 4.45Å; I176-V231 HydrophobicContact CG2-CG2 3.58Å; A183-V231 HydrophobicContact CB-CG2 4.43Å; K184-V231 PolarHBondContact O-N 3.06Å; I185-V231 CarbonylContact C-O 3.58Å; I185-V231 WeakPolarHBondContact CA-O 3.43Å; I185-V231 HydrophobicContact CB-CB 4.41Å; I185-V231 HydrophobicContact CG1-CB 4.01Å; I185-V231 HydrophobicContact CG1-CG2 4.24Å; I185-V231 HydrophobicContact CG2-CB 4.32Å; I185-V231 HydrophobicContact CG2-CG1 4.44Å; F186-V231 PolarHBondContact N-O 2.89Å
232	I	98.3	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	100.8	175.3	-49.1	-54.9	0	0	0	108.3	M158 F159 I160 L161 F186 V219 I230 N234 Y245	M158-I232 HydrophobicContact CG-CG1 4.22Å; M158-I232 HydrophobicContact SD-CG1 4.19Å; F159-I232 PolarHBondContact O-N 2.76Å; I160-I232 HydrophobicContact CG1-CB 4.49Å; I160-I232 HydrophobicContact CG1-CG1 4.24Å; L161-I232 WeakPolarHBondContact CB-O 3.43Å; L161-I232 PolarHBondContact N-O 3.29Å; F186-I232 HydrophobicContact CB-CD1 4.37Å; F186-I232 HydrophobicContact CD2-CD1 4.35Å; V219-I232 HydrophobicContact CB-CD1 4.49Å; V219-I232 HydrophobicContact CG1-CD1 4.07Å; V219-I232 HydrophobicContact CG2-CD1 3.52Å; I230-I232 HydrophobicContact CG2-CD1 3.76Å; I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 HydrophobicContact CG2-CB 4.2Å; I232-N234 PolarHBondContact O-N 3.42Å; I232-Y245 HydrophobicContact CB-CD1 4.48Å; I232-Y245 HydrophobicContact CB-CG 4.5Å; I232-Y245 HydrophobicContact CD1-CD1 3.75Å; I232-Y245 HydrophobicContact CD1-CE1 4.02Å; I232-Y245 HydrophobicContact CD1-CG 4.44Å; I232-Y245 HydrophobicContact CG1-CD1 3.8Å; I232-Y245 HydrophobicContact CG1-CE1 4.3Å; I232-Y245 HydrophobicContact CG1-CG 3.99Å; I232-Y245 HydrophobicContact CG2-CD1 3.9Å; I232-Y245 HydrophobicContact CG2-CD2 3.79Å; I232-Y245 HydrophobicContact CG2-CE1 3.7Å; I232-Y245 HydrophobicContact CG2-CE2 3.62Å; I232-Y245 HydrophobicContact CG2-CG 3.94Å
233	D	97.6	Very high	95.1	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	17%	0.173	C	C	.	.			trans	-93.7	59.6	-179.8	-169.5	15	0	0	0	111.1	L161 K169 S170 S173 I185 F186 S187	L161-D233 HydrophobicContact CD1-CB 4.14Å; K169-D233 WeakPolarHBondContact CB-OD1 3.4Å; S170-D233 WeakPolarHBondContact CA-OD2 3.44Å; S170-D233 VanDerWaalsContact CB-OD2 3.26Å; S170-D233 WeakPolarHBondContact CB-OD2 3.35Å; S170-D233 PolarHBondContact N-OD1 3.02Å; S170-D233 PolarHBondContact OG-OD1 3.05Å; S170-D233 PolarHBondContact OG-OD2 3.3Å; S173-D233 PolarHBondContact OG-OD2 2.97Å; I185-D233 HydrophobicContact CG2-CB 4.06Å; F186-D233 PolarHBondContact O-N 2.89Å; S187-D233 WeakPolarHBondContact CB-O 3.29Å; S187-D233 PolarHBondContact OG-O 2.87Å
234	N	96.5	Very high	95.1	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.059	18%	0.184	C	C	.	.	S	Bend	trans	-114.9	172.7	174.4	-76.8	-32.7	0	0	0	110.6	L161 K169 S187 A188 I232 Y245	L161-N234 VanDerWaalsContact O-O 3.08Å; K169-N234 VanDerWaalsContact CD-O 3.31Å; K169-N234 WeakPolarHBondContact CD-O 3.31Å; K169-N234 WeakPolarHBondContact CE-O 3.09Å; S187-N234 PolarHBondContact OG-OD1 2.87Å; A188-N234 PolarHBondContact N-OD1 3.43Å; I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 HydrophobicContact CG2-CB 4.2Å; I232-N234 PolarHBondContact O-N 3.42Å; N234-Y245 PolarHBondContact ND2-OH 3.29Å
235	T	95.5	Very high	95.3	Very high	31 Å²	31	36.5 Å²	36.5	19%	0.19	17%	0.165	C	C	.	.			trans	-69.1	-40.1	-176.1	59.7	0	0	0	0	113.3	R162 G163 P165 T237 E241 K288	R162-T235 CarbonylContact C-O 3.56Å; R162-T235 WeakPolarHBondContact CA-O 3.23Å; G163-T235 PolarHBondContact N-O 2.91Å; G163-T235 WeakPolarHBondContact O-CA 3.47Å; P165-T235 HydrophobicContact CG-CG2 4.37Å; T235-T237 PolarHBondContact O-N 3.17Å; T235-E241 PolarHBondContact OG1-OE2 3.22Å; T235-K288 HydrophobicContact CG2-CD 4.49Å; T235-K288 PolarHBondContact OG1-NZ 3.26Å; T235-K288 VanDerWaalsContact OG1-NZ 3.08Å
236	N	96.3	Very high	95.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	15%	0.149	C	C	.	.			trans	42.7	39	177.2	-60.6	-46.3	0	0	0	113.8	I160 L161 R162 R238 E241 A242	I160-N236 HydrophobicContact CG2-CB 4.17Å; I160-N236 WeakPolarHBondContact CG2-ND2 3.33Å; L161-N236 WeakPolarHBondContact O-CB 3.35Å; L161-N236 PolarHBondContact O-ND2 2.99Å; R162-N236 HydrophobicContact CG-CB 3.89Å; R162-N236 PolarHBondContact NE-O 2.88Å; R162-N236 PolarHBondContact NH2-O 3.27Å; R162-N236 VanDerWaalsContact NH2-O 3.12Å; N236-R238 VanDerWaalsContact C-N 3.31Å; N236-E241 VanDerWaalsContact CA-OE2 3.23Å; N236-E241 WeakPolarHBondContact CA-OE2 3.42Å; N236-E241 PolarHBondContact N-OE2 3.44Å; N236-E241 PolarHBondContact OD1-O 3.25Å; N236-A242 HydrophobicContact CB-CB 4.26Å
237	T	95.2	Very high	95.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	16%	0.162	C	C	.	.			trans	-74	-26.7	-175.7	56	0	0	0	0	111.7	R162 T235 E241 K288 F292 E293	R162-T237 PolarHBondContact NH2-O 2.93Å; T235-T237 PolarHBondContact O-N 3.17Å; T237-E241 PolarHBondContact N-OE2 3.37Å; T237-E241 PolarHBondContact OG1-OE1 3.23Å; T237-E241 PolarHBondContact OG1-OE2 3.44Å; T237-E241 VanDerWaalsContact OG1-OE2 3.12Å; T237-K288 HydrophobicContact CG2-CB 4.37Å; T237-F292 HydrophobicContact CG2-CD2 3.95Å; T237-F292 HydrophobicContact CG2-CE2 4.32Å; T237-E293 PolarHBondContact O-N 3.23Å
238	R	95.1	Very high	95.6	Very high	71 Å²	71	34 Å²	34	27%	0.268	15%	0.151	S	C	.	.	S	Bend	trans	-113.6	152.6	175.8	-55.1	-65.6	-71.8	-162.3	-5.4	110.7	N236 W240 E241 A242 N291 E293	N236-R238 VanDerWaalsContact C-N 3.31Å; R238-W240 VanDerWaalsContact C-N 3.25Å; R238-W240 VanDerWaalsContact CB-CD1 3.44Å; R238-W240 HydrophobicContact CB-CD2 4.4Å; R238-W240 HydrophobicContact CB-CG 4.13Å; R238-W240 VanDerWaalsContact CB-NE1 3.28Å; R238-W240 PolarHBondContact O-N 3.47Å; R238-E241 HydrophobicContact CB-CG 4.24Å; R238-E241 WeakPolarHBondContact O-CB 3.49Å; R238-E241 PolarHBondContact O-N 3.46Å; R238-E241 VanDerWaalsContact O-N 3.1Å; R238-A242 PolarHBondContact O-N 3.2Å; R238-N291 WeakPolarHBondContact CD-O 3.2Å; R238-N291 PolarHBondContact NH1-O 3.45Å; R238-E293 IonicContact CZ-OE1 3.46Å; R238-E293 IonicContact NE-OE1 2.7Å; R238-E293 PolarHBondContact NE-OE1 3.46Å; R238-E293 IonicContact NE-OE2 2.65Å; R238-E293 IonicContact NH1-OE1 2.89Å; R238-E293 PolarHBondContact NH1-OE1 3.44Å; R238-E293 IonicContact NH2-OE1 3.1Å; R238-E293 PolarHBondContact NH2-OE1 2.94Å
239	S	92.6	Very high	95.7	Very high	57 Å²	57	34.1 Å²	34.1	40%	0.399	15%	0.151	S	C	.	.	H	α-helix	trans	-54.3	-40.5	174.4	51.4	0	0	0	0	112.7	E241 A242 R243 E293	S239-E241 VanDerWaalsContact C-N 3.34Å; S239-E241 PolarHBondContact O-N 3.25Å; S239-A242 PolarHBondContact O-N 3.24Å; S239-R243 PolarHBondContact O-N 3.36Å; S239-R243 VanDerWaalsContact O-N 3.11Å; S239-E293 WeakPolarHBondContact CB-OE2 3.3Å; S239-E293 PolarHBondContact N-OE2 3.42Å; S239-E293 PolarHBondContact OG-OE2 3.46Å
240	W	94.3	Very high	95.4	Very high	168 Å²	168	40.6 Å²	40.6	64%	0.636	18%	0.175	S	C	*	.	H	α-helix	trans	-67.3	-30.6	178.3	68.1	-101.3	0	0	0	113.3	R238 A242 R243	R238-W240 VanDerWaalsContact C-N 3.25Å; R238-W240 VanDerWaalsContact CB-CD1 3.44Å; R238-W240 HydrophobicContact CB-CD2 4.4Å; R238-W240 HydrophobicContact CB-CG 4.13Å; R238-W240 VanDerWaalsContact CB-NE1 3.28Å; R238-W240 PolarHBondContact O-N 3.47Å; W240-A242 VanDerWaalsContact C-N 3.32Å; W240-R243 PolarHBondContact O-N 3.33Å
241	E	95.3	Very high	95.1	Very high	32 Å²	32	47.7 Å²	47.7	15%	0.15	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-36.9	175.6	-69.6	179.9	-173.8	0	0	110.6	T235 N236 T237 R238 S239 K288	T235-E241 PolarHBondContact OG1-OE2 3.22Å; N236-E241 VanDerWaalsContact CA-OE2 3.23Å; N236-E241 WeakPolarHBondContact CA-OE2 3.42Å; N236-E241 PolarHBondContact N-OE2 3.44Å; N236-E241 PolarHBondContact OD1-O 3.25Å; T237-E241 PolarHBondContact N-OE2 3.37Å; T237-E241 PolarHBondContact OG1-OE1 3.23Å; T237-E241 PolarHBondContact OG1-OE2 3.44Å; T237-E241 VanDerWaalsContact OG1-OE2 3.12Å; R238-E241 HydrophobicContact CB-CG 4.24Å; R238-E241 WeakPolarHBondContact O-CB 3.49Å; R238-E241 PolarHBondContact O-N 3.46Å; R238-E241 VanDerWaalsContact O-N 3.1Å; S239-E241 VanDerWaalsContact C-N 3.34Å; S239-E241 PolarHBondContact O-N 3.25Å; E241-K288 IonicContact OE1-NZ 3.3Å
242	A	95.8	Very high	94.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-84.1	-16.5	-179.5	0	0	0	0	0	114.1	I160 N236 R238 S239 W240 Y244 Y245 T246 M258 I295	I160-A242 HydrophobicContact CG2-CB 4.45Å; N236-A242 HydrophobicContact CB-CB 4.26Å; R238-A242 PolarHBondContact O-N 3.2Å; S239-A242 PolarHBondContact O-N 3.24Å; W240-A242 VanDerWaalsContact C-N 3.32Å; A242-Y244 PolarHBondContact O-N 3.48Å; A242-Y245 PolarHBondContact O-N 3.41Å; A242-Y245 VanDerWaalsContact O-N 3.13Å; A242-T246 PolarHBondContact O-N 2.93Å; A242-T246 VanDerWaalsContact O-N 3.1Å; A242-M258 HydrophobicContact CB-CE 4.36Å; A242-I295 HydrophobicContact CB-CD1 3.71Å
243	R	95.1	Very high	94.2	Very high	163 Å²	163	52 Å²	52	62%	0.615	22%	0.222	S	C	*	.	H	α-helix	trans	-58.7	-41	-166.6	-177.6	177.3	-179.8	175	-0.5	113.8	S239 W240 Y245 T246 E247	S239-R243 PolarHBondContact O-N 3.36Å; S239-R243 VanDerWaalsContact O-N 3.11Å; W240-R243 PolarHBondContact O-N 3.33Å; R243-Y245 VanDerWaalsContact C-N 3.31Å; R243-Y245 PolarHBondContact O-N 2.81Å; R243-T246 WeakPolarHBondContact CA-OG1 3.32Å; R243-T246 PolarHBondContact O-N 3.39Å; R243-T246 PolarHBondContact O-OG1 3.47Å; R243-E247 HydrophobicContact CG-CG 4.4Å; R243-E247 WeakPolarHBondContact O-CB 3.45Å; R243-E247 WeakPolarHBondContact O-CG 3.43Å; R243-E247 PolarHBondContact O-N 3.37Å
244	Y	96.1	Very high	94	Very high	63 Å²	63	52.3 Å²	52.3	25%	0.247	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-46.9	179.1	179.3	-90.5	0	0	0	110.8	H216 A242 E247 M248	H216-Y244 HydrophobicContact CB-CD1 4.07Å; H216-Y244 HydrophobicContact CB-CE1 3.54Å; H216-Y244 HydrophobicContact CB-CE2 4.02Å; H216-Y244 AromaticContact CD2-CD1 3.38Å; H216-Y244 WeakPolarHBondContact CD2-CD1 3.47Å; H216-Y244 AromaticContact CD2-CE1 3.78Å; H216-Y244 AromaticContact CD2-CG 3.75Å; H216-Y244 AromaticContact CE1-CG 3.89Å; H216-Y244 AromaticContact CG-CD1 3.61Å; H216-Y244 AromaticContact CG-CE1 3.65Å; H216-Y244 AromaticContact CG-CG 3.82Å; H216-Y244 AromaticContact CG-CZ 3.86Å; H216-Y244 AromaticContact ND1-CD2 3.89Å; H216-Y244 AromaticContact ND1-CG 3.91Å; H216-Y244 AromaticContact NE2-CD1 3.86Å; H216-Y244 AromaticContact NE2-CG 3.79Å; H216-Y244 PolarHBondContact O-OH 3.04Å; A242-Y244 PolarHBondContact O-N 3.48Å; Y244-E247 PolarHBondContact O-N 3.48Å; Y244-M248 HydrophobicContact CD1-CG 4.2Å; Y244-M248 HydrophobicContact CE1-CG 3.75Å; Y244-M248 WeakPolarHBondContact O-CG 3.49Å; Y244-M248 PolarHBondContact O-N 3.22Å
245	Y	97.5	Very high	93.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-41	-178.6	-50.8	-64.6	0	0	0	112.3	H216 V219 I232 N234 A242 R243 M248 A249	H216-Y245 AromaticContact CD2-CE1 3.9Å; H216-Y245 AromaticContact CD2-CZ 3.82Å; H216-Y245 PolarHBondContact CD2-OH 3.47Å; H216-Y245 AromaticContact NE2-CZ 3.9Å; V219-Y245 HydrophobicContact CG1-CD1 4.18Å; V219-Y245 HydrophobicContact CG2-CD1 4.36Å; V219-Y245 HydrophobicContact CG2-CE1 4.03Å; I232-Y245 HydrophobicContact CB-CD1 4.48Å; I232-Y245 HydrophobicContact CB-CG 4.5Å; I232-Y245 HydrophobicContact CD1-CD1 3.75Å; I232-Y245 HydrophobicContact CD1-CE1 4.02Å; I232-Y245 HydrophobicContact CD1-CG 4.44Å; I232-Y245 HydrophobicContact CG1-CD1 3.8Å; I232-Y245 HydrophobicContact CG1-CE1 4.3Å; I232-Y245 HydrophobicContact CG1-CG 3.99Å; I232-Y245 HydrophobicContact CG2-CD1 3.9Å; I232-Y245 HydrophobicContact CG2-CD2 3.79Å; I232-Y245 HydrophobicContact CG2-CE1 3.7Å; I232-Y245 HydrophobicContact CG2-CE2 3.62Å; I232-Y245 HydrophobicContact CG2-CG 3.94Å; N234-Y245 PolarHBondContact ND2-OH 3.29Å; A242-Y245 PolarHBondContact O-N 3.41Å; A242-Y245 VanDerWaalsContact O-N 3.13Å; R243-Y245 VanDerWaalsContact C-N 3.31Å; R243-Y245 PolarHBondContact O-N 2.81Å; Y245-M248 PolarHBondContact O-N 3.09Å; Y245-A249 WeakPolarHBondContact O-CB 3.16Å; Y245-A249 PolarHBondContact O-N 3.07Å
246	T	95.5	Very high	93.6	Very high	14 Å²	14	51.5 Å²	51.5	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-38.2	177.4	56.2	0	0	0	0	112.2	I160 A242 R243 A249 R250 M258 Y610	I160-T246 HydrophobicContact CD1-CG2 3.81Å; A242-T246 PolarHBondContact O-N 2.93Å; A242-T246 VanDerWaalsContact O-N 3.1Å; R243-T246 WeakPolarHBondContact CA-OG1 3.32Å; R243-T246 PolarHBondContact O-N 3.39Å; R243-T246 PolarHBondContact O-OG1 3.47Å; T246-A249 PolarHBondContact O-N 2.91Å; T246-R250 WeakPolarHBondContact O-CB 3.33Å; T246-R250 PolarHBondContact O-N 3.18Å; T246-M258 HydrophobicContact CG2-CE 3.41Å; T246-M258 VanDerWaalsContact CG2-CE 3.41Å; T246-Y610 HydrophobicContact CG2-CG 4.25Å
247	E	94.1	Very high	93.5	Very high	66 Å²	66	51.6 Å²	51.6	31%	0.308	22%	0.217	S	C	.	.	H	α-helix	trans	-66.9	-39.2	174.6	-73.5	-69.5	174.6	0	0	112.4	R243 Y244 R250 R251	R243-E247 HydrophobicContact CG-CG 4.4Å; R243-E247 WeakPolarHBondContact O-CB 3.45Å; R243-E247 WeakPolarHBondContact O-CG 3.43Å; R243-E247 PolarHBondContact O-N 3.37Å; Y244-E247 PolarHBondContact O-N 3.48Å; E247-R250 PolarHBondContact O-N 3.2Å; E247-R250 IonicContact OE2-CZ 3.74Å; E247-R250 IonicContact OE2-NE 2.89Å; E247-R250 PolarHBondContact OE2-NE 3.49Å; E247-R250 IonicContact OE2-NH2 3.06Å; E247-R250 PolarHBondContact OE2-NH2 3.16Å; E247-R251 WeakPolarHBondContact O-CB 3.48Å; E247-R251 PolarHBondContact O-N 2.81Å
248	M	94.4	Very high	93.5	Very high	22 Å²	22	52.7 Å²	52.7	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-46.4	171.9	-71.8	-54.4	98.9	0	0	110.9	Y220 V223 Y244 Y245 R250 R251 F252	Y220-M248 HydrophobicContact CD2-SD 3.84Å; Y220-M248 HydrophobicContact CE2-SD 4.46Å; V223-M248 HydrophobicContact CG2-CB 4.49Å; Y244-M248 HydrophobicContact CD1-CG 4.2Å; Y244-M248 HydrophobicContact CE1-CG 3.75Å; Y244-M248 WeakPolarHBondContact O-CG 3.49Å; Y244-M248 PolarHBondContact O-N 3.22Å; Y245-M248 PolarHBondContact O-N 3.09Å; M248-R250 VanDerWaalsContact C-N 3.33Å; M248-R250 PolarHBondContact O-N 3.12Å; M248-R251 PolarHBondContact O-N 3.37Å; M248-F252 WeakPolarHBondContact O-CD2 3.5Å; M248-F252 PolarHBondContact O-N 3.24Å; M248-F252 HydrophobicContact SD-CD2 4.45Å; M248-F252 HydrophobicContact SD-CE2 4.02Å
249	A	93.6	Very high	93.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-45.8	178	0	0	0	0	0	111.8	M158 Y245 T246 F252 H253 Y254 V256	M158-A249 HydrophobicContact CE-CB 4.14Å; M158-A249 HydrophobicContact SD-CB 4.06Å; Y245-A249 WeakPolarHBondContact O-CB 3.16Å; Y245-A249 PolarHBondContact O-N 3.07Å; T246-A249 PolarHBondContact O-N 2.91Å; A249-F252 PolarHBondContact O-N 3.37Å; A249-H253 CarbonylContact O-C 3.58Å; A249-H253 WeakPolarHBondContact O-CA 3.38Å; A249-H253 PolarHBondContact O-N 2.84Å; A249-Y254 PolarHBondContact O-N 3.46Å; A249-V256 HydrophobicContact CB-CG2 3.32Å
250	R	90.1	Very high	93.6	Very high	137 Å²	137	49.2 Å²	49.2	52%	0.517	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-47.6	175.5	-173	-171	64.5	72	1.5	112.1	T246 E247 M248 F252 H253	T246-R250 WeakPolarHBondContact O-CB 3.33Å; T246-R250 PolarHBondContact O-N 3.18Å; E247-R250 PolarHBondContact O-N 3.2Å; E247-R250 IonicContact OE2-CZ 3.74Å; E247-R250 IonicContact OE2-NE 2.89Å; E247-R250 PolarHBondContact OE2-NE 3.49Å; E247-R250 IonicContact OE2-NH2 3.06Å; E247-R250 PolarHBondContact OE2-NH2 3.16Å; M248-R250 VanDerWaalsContact C-N 3.33Å; M248-R250 PolarHBondContact O-N 3.12Å; R250-F252 VanDerWaalsContact C-N 3.34Å; R250-F252 PolarHBondContact O-N 2.99Å; R250-H253 PolarHBondContact O-N 3.39Å
251	R	89.5	Confident	93.6	Very high	149 Å²	149	41.4 Å²	41.4	56%	0.562	18%	0.175	S	C	*	.	H	α-helix	trans	-64.7	-35.9	-178.1	-179.4	175.2	178	169.8	-0.9	113	E247 M248	E247-R251 WeakPolarHBondContact O-CB 3.48Å; E247-R251 PolarHBondContact O-N 2.81Å; M248-R251 PolarHBondContact O-N 3.37Å
252	F	90.3	Very high	93.4	Very high	35 Å²	35	43.5 Å²	43.5	15%	0.154	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	12.6	-176.7	-66.9	-84.8	0	0	0	113.5	R156 Y220 V223 C224 M248 A249 R250 Y254	R156-F252 WeakPolarHBondContact CD-O 3.39Å; R156-F252 PolarHBondContact NH1-O 3.08Å; Y220-F252 HydrophobicContact CE2-CE2 4.3Å; Y220-F252 HydrophobicContact CE2-CZ 4.18Å; V223-F252 HydrophobicContact CB-CB 4.15Å; V223-F252 HydrophobicContact CB-CD2 3.92Å; V223-F252 HydrophobicContact CB-CE2 4.48Å; V223-F252 HydrophobicContact CB-CG 3.99Å; V223-F252 HydrophobicContact CG2-CD2 3.47Å; V223-F252 VanDerWaalsContact CG2-CD2 3.47Å; V223-F252 HydrophobicContact CG2-CE2 3.6Å; V223-F252 HydrophobicContact CG2-CG 4Å; V223-F252 HydrophobicContact CG2-CZ 4.21Å; C224-F252 VanDerWaalsContact SG-CZ 3.53Å; M248-F252 WeakPolarHBondContact O-CD2 3.5Å; M248-F252 PolarHBondContact O-N 3.24Å; M248-F252 HydrophobicContact SD-CD2 4.45Å; M248-F252 HydrophobicContact SD-CE2 4.02Å; A249-F252 PolarHBondContact O-N 3.37Å; R250-F252 VanDerWaalsContact C-N 3.34Å; R250-F252 PolarHBondContact O-N 2.99Å; F252-Y254 HydrophobicContact CB-CD2 3.83Å; F252-Y254 HydrophobicContact CB-CE2 3.85Å; F252-Y254 WeakPolarHBondContact O-CD2 3.43Å; F252-Y254 PolarHBondContact O-N 2.95Å
253	H	88.5	Confident	93.3	Very high	57 Å²	57	43.9 Å²	43.9	26%	0.264	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	38.8	174.2	-52.2	-59.8	0	0	0	115	A249 R250 A306 I392 I407	A249-H253 CarbonylContact O-C 3.58Å; A249-H253 WeakPolarHBondContact O-CA 3.38Å; A249-H253 PolarHBondContact O-N 2.84Å; R250-H253 PolarHBondContact O-N 3.39Å; H253-A306 HydrophobicContact CB-CB 4.07Å; H253-I392 WeakPolarHBondContact CE1-CD1 3.47Å; H253-I392 WeakPolarHBondContact NE2-CD1 3.34Å; H253-I407 HydrophobicContact CB-CD1 3.97Å; H253-I407 HydrophobicContact CB-CG1 4.47Å
254	Y	92	Very high	93.2	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.047	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-86.2	139.2	172	-76.4	-109.6	0	0	0	111.6	R156 F157 M158 V223 G226 Y227 I230 A249 F252	R156-Y254 HydrophobicContact CB-CD1 3.78Å; R156-Y254 HydrophobicContact CB-CD2 4.05Å; R156-Y254 HydrophobicContact CB-CE1 3.94Å; R156-Y254 HydrophobicContact CB-CE2 4.21Å; R156-Y254 HydrophobicContact CB-CG 3.82Å; R156-Y254 HydrophobicContact CG-CE1 4.38Å; R156-Y254 HydrophobicContact CG-CE2 4.24Å; R156-Y254 WeakPolarHBondContact O-CA 3.44Å; F157-Y254 WeakPolarHBondContact O-CD1 3.4Å; M158-Y254 HydrophobicContact CB-CD1 4.1Å; M158-Y254 HydrophobicContact CB-CG 4.5Å; V223-Y254 HydrophobicContact CB-CE2 4Å; V223-Y254 HydrophobicContact CG1-CD2 4.43Å; V223-Y254 HydrophobicContact CG1-CE2 4.01Å; G226-Y254 WeakPolarHBondContact CA-OH 3.45Å; Y227-Y254 PolarHBondContact N-OH 3.1Å; Y227-Y254 WeakPolarHBondContact O-CE1 3.38Å; Y227-Y254 VanDerWaalsContact O-CZ 3.26Å; Y227-Y254 PolarHBondContact O-OH 2.82Å; I230-Y254 HydrophobicContact CD1-CE1 3.72Å; I230-Y254 HydrophobicContact CG1-CE1 4.16Å; A249-Y254 PolarHBondContact O-N 3.46Å; F252-Y254 HydrophobicContact CB-CD2 3.83Å; F252-Y254 HydrophobicContact CB-CE2 3.85Å; F252-Y254 WeakPolarHBondContact O-CD2 3.43Å; F252-Y254 PolarHBondContact O-N 2.95Å
255	F	90.3	Very high	93.1	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.066	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.8	165.8	-77.2	-83.2	0	0	0	110.4	R156 F157 M158 F303 P305 I407 A607	R156-F255 PolarHBondContact O-N 2.73Å; F157-F255 CarbonylContact C-O 3.1Å; F157-F255 WeakPolarHBondContact CA-O 3.32Å; F157-F255 HydrophobicContact CD1-CB 3.76Å; F157-F255 HydrophobicContact CE1-CB 3.66Å; F157-F255 HydrophobicContact CG-CB 4.3Å; F157-F255 HydrophobicContact CZ-CB 4.11Å; M158-F255 PolarHBondContact N-O 2.87Å; F255-F303 HydrophobicContact CD1-CB 4.14Å; F255-F303 HydrophobicContact CD1-CG 4.28Å; F255-F303 HydrophobicContact CE1-CB 3.18Å; F255-F303 AromaticContact CE1-CD1 3.43Å; F255-F303 HydrophobicContact CE1-CD1 3.43Å; F255-F303 VanDerWaalsContact CE1-CD1 3.43Å; F255-F303 AromaticContact CE1-CD2 3.96Å; F255-F303 HydrophobicContact CE1-CD2 3.96Å; F255-F303 HydrophobicContact CE1-CE1 4.21Å; F255-F303 AromaticContact CE1-CG 3.28Å; F255-F303 HydrophobicContact CE1-CG 3.28Å; F255-F303 HydrophobicContact CZ-CB 3.48Å; F255-F303 VanDerWaalsContact CZ-CB 3.48Å; F255-F303 AromaticContact CZ-CD1 3.83Å; F255-F303 HydrophobicContact CZ-CD1 3.83Å; F255-F303 AromaticContact CZ-CG 3.91Å; F255-F303 HydrophobicContact CZ-CG 3.91Å; F255-P305 HydrophobicContact CD2-CB 3.09Å; F255-P305 HydrophobicContact CE2-CB 3.26Å; F255-P305 HydrophobicContact CG-CB 3.9Å; F255-P305 HydrophobicContact CZ-CB 4.12Å; F255-I407 HydrophobicContact CE2-CD1 3.47Å; F255-I407 VanDerWaalsContact CE2-CD1 3.47Å; F255-I407 HydrophobicContact CZ-CD1 3.81Å; F255-I407 HydrophobicContact CZ-CG2 4.23Å; F255-A607 HydrophobicContact CD1-CB 4.12Å
256	V	93.9	Very high	93	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.2	-179.7	178.6	0	0	0	0	109.9	M158 I160 A249 M258 Y610	M158-V256 CarbonylContact O-C 3.51Å; M158-V256 VanDerWaalsContact O-CA 3.3Å; M158-V256 WeakPolarHBondContact O-CA 3.44Å; I160-V256 HydrophobicContact CB-CG1 4.48Å; I160-V256 HydrophobicContact CD1-CG1 3.64Å; I160-V256 HydrophobicContact CD1-CG2 4.48Å; I160-V256 HydrophobicContact CG1-CG1 4.01Å; A249-V256 HydrophobicContact CB-CG2 3.32Å; V256-M258 HydrophobicContact CG1-CE 3.93Å; V256-M258 HydrophobicContact CG1-CG 4.13Å; V256-M258 HydrophobicContact CG1-SD 4.18Å; V256-Y610 HydrophobicContact CB-CD2 3.83Å; V256-Y610 HydrophobicContact CB-CE2 4.26Å; V256-Y610 HydrophobicContact CG1-CD2 3.88Å; V256-Y610 HydrophobicContact CG1-CE2 4.07Å
257	I	94.3	Very high	93	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	108.4	164.2	-58.8	178.7	0	0	0	107.2	F142 F157 M158 F159 I160 V259 L437	F142-I257 HydrophobicContact CD1-CG2 4.4Å; F142-I257 HydrophobicContact CE1-CG2 4.38Å; F157-I257 HydrophobicContact CD1-CD1 3.81Å; F157-I257 HydrophobicContact CD1-CG1 4.07Å; F157-I257 HydrophobicContact CE1-CD1 3.82Å; F157-I257 HydrophobicContact CE1-CG1 4.17Å; M158-I257 PolarHBondContact O-N 3.3Å; F159-I257 WeakPolarHBondContact CA-O 3.27Å; F159-I257 HydrophobicContact CD1-CB 3.84Å; F159-I257 HydrophobicContact CD1-CD1 4.38Å; F159-I257 HydrophobicContact CD1-CG2 4.13Å; F159-I257 HydrophobicContact CE1-CB 4.08Å; F159-I257 HydrophobicContact CE1-CD1 3.74Å; F159-I257 HydrophobicContact CE1-CG1 4.43Å; F159-I257 HydrophobicContact CE1-CG2 4.25Å; F159-I257 HydrophobicContact CZ-CD1 4.34Å; I160-I257 PolarHBondContact N-O 3.38Å; I257-V259 HydrophobicContact CB-CG2 4.49Å; I257-V259 HydrophobicContact CG2-CG2 3.67Å; I257-V259 PolarHBondContact O-N 2.91Å; I257-L437 HydrophobicContact CG2-CD2 4.38Å
258	M	94.7	Very high	93.2	Very high	26 Å²	26	46.1 Å²	46.1	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.7	171.3	-67.6	-70.4	-175.4	0	0	108.8	I160 R162 A242 T246 V256 I295 Y610	I160-M258 HydrophobicContact CB-CE 4.42Å; I160-M258 HydrophobicContact CB-SD 3.57Å; I160-M258 VanDerWaalsContact CB-SD 3.57Å; I160-M258 HydrophobicContact CD1-CE 3.81Å; I160-M258 HydrophobicContact CD1-SD 4.12Å; I160-M258 HydrophobicContact CG1-SD 4.39Å; I160-M258 HydrophobicContact CG2-CE 4.4Å; I160-M258 HydrophobicContact CG2-SD 3.64Å; I160-M258 WeakPolarHBondContact O-CA 3.33Å; R162-M258 HydrophobicContact CG-SD 4.32Å; A242-M258 HydrophobicContact CB-CE 4.36Å; T246-M258 HydrophobicContact CG2-CE 3.41Å; T246-M258 VanDerWaalsContact CG2-CE 3.41Å; V256-M258 HydrophobicContact CG1-CE 3.93Å; V256-M258 HydrophobicContact CG1-CG 4.13Å; V256-M258 HydrophobicContact CG1-SD 4.18Å; M258-I295 HydrophobicContact CE-CD1 4.45Å; M258-I295 HydrophobicContact CE-CG2 4.4Å; M258-Y610 HydrophobicContact CE-CD1 3.93Å; M258-Y610 HydrophobicContact CE-CD2 4.3Å; M258-Y610 HydrophobicContact CE-CE1 4.01Å; M258-Y610 HydrophobicContact CE-CE2 4.34Å; M258-Y610 HydrophobicContact CE-CG 4.08Å; M258-Y610 HydrophobicContact CG-CE1 4.01Å; M258-Y610 HydrophobicContact CG-CE2 3.77Å; M258-Y610 VanDerWaalsContact CG-CZ 3.44Å; M258-Y610 WeakPolarHBondContact CG-OH 3.48Å
259	V	95	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.3	-176.3	-162.1	0	0	0	0	112	F140 F142 F159 I160 L161 R162 L172 I257	F140-V259 HydrophobicContact CD1-CG1 4.02Å; F140-V259 HydrophobicContact CE1-CG1 3.47Å; F140-V259 VanDerWaalsContact CE1-CG1 3.47Å; F140-V259 HydrophobicContact CZ-CG1 3.81Å; F142-V259 HydrophobicContact CE1-CG1 4.18Å; F142-V259 HydrophobicContact CE1-CG2 3.84Å; F142-V259 HydrophobicContact CZ-CG1 3.99Å; F142-V259 HydrophobicContact CZ-CG2 3.95Å; F159-V259 HydrophobicContact CD1-CG2 3.91Å; I160-V259 PolarHBondContact O-N 3.32Å; L161-V259 CarbonylContact C-O 3.52Å; L161-V259 WeakPolarHBondContact CA-O 3.47Å; L161-V259 HydrophobicContact CD2-CB 3.82Å; L161-V259 HydrophobicContact CD2-CG2 4.25Å; R162-V259 PolarHBondContact N-O 3.19Å; L172-V259 HydrophobicContact CD2-CB 4.22Å; L172-V259 HydrophobicContact CD2-CG1 3.47Å; L172-V259 VanDerWaalsContact CD2-CG1 3.47Å; I257-V259 HydrophobicContact CB-CG2 4.49Å; I257-V259 HydrophobicContact CG2-CG2 3.67Å; I257-V259 PolarHBondContact O-N 2.91Å
260	I	94.9	Very high	93.5	Very high	55 Å²	55	52.1 Å²	52.1	28%	0.282	24%	0.24	S	C	.	.			trans	-101.4	126	169	-59.4	169	0	0	0	107.4	R162 Q262 F267 F292	R162-I260 HydrophobicContact CB-CG1 3.9Å; R162-I260 WeakPolarHBondContact O-CA 3.4Å; I260-Q262 PolarHBondContact O-N 2.98Å; I260-F267 HydrophobicContact CG2-CZ 4.23Å; I260-F292 HydrophobicContact CD1-CE1 3.81Å; I260-F292 HydrophobicContact CD1-CZ 3.63Å; I260-F292 HydrophobicContact CG1-CZ 3.99Å
261	P	94.1	Very high	93.8	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.026	22%	0.222	C	C	.	.			trans	-51.3	139.2	174.1	-28.4	36	0	0	0	111.6	R162 S167 K169 T263 R266	R162-P261 WeakPolarHBondContact O-CD 3.15Å; S167-P261 VanDerWaalsContact O-CB 3.23Å; S167-P261 WeakPolarHBondContact O-CB 3.4Å; K169-P261 HydrophobicContact CB-CG 4.45Å; K169-P261 HydrophobicContact CG-CG 3.84Å; P261-T263 VanDerWaalsContact C-N 3.28Å; P261-T263 PolarHBondContact O-N 3.36Å; P261-R266 WeakPolarHBondContact O-CD 3.3Å
262	Q	91.7	Very high	94.2	Very high	76 Å²	76	39.6 Å²	39.6	36%	0.355	20%	0.195	S	C	.	.			trans	-89.8	14	-177.7	-70.5	178.9	1.3	0	0	113.5	F140 I260	F140-Q262 HydrophobicContact CE1-CG 3.94Å; F140-Q262 HydrophobicContact CE2-CG 4.47Å; F140-Q262 HydrophobicContact CZ-CB 4.31Å; F140-Q262 HydrophobicContact CZ-CG 3.66Å; I260-Q262 PolarHBondContact O-N 2.98Å
263	T	93.2	Very high	94.4	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.055	20%	0.198	C	C	.	.			trans	-59	140.9	177.9	57.9	0	0	0	0	110.6	Y137 S167 P261 W265 R266	Y137-T263 HydrophobicContact CD2-CG2 4.09Å; Y137-T263 HydrophobicContact CG-CG2 4.32Å; S167-T263 WeakPolarHBondContact O-CG2 3.25Å; S167-T263 PolarHBondContact O-OG1 3.06Å; P261-T263 VanDerWaalsContact C-N 3.28Å; P261-T263 PolarHBondContact O-N 3.36Å; T263-W265 HydrophobicContact CG2-CH2 3.98Å; T263-W265 HydrophobicContact CG2-CZ2 3.63Å; T263-W265 PolarHBondContact O-N 2.7Å; T263-R266 WeakPolarHBondContact O-CB 3.48Å; T263-R266 WeakPolarHBondContact O-CD 3.44Å; T263-R266 VanDerWaalsContact O-CG 3.29Å; T263-R266 WeakPolarHBondContact O-CG 3.41Å; T263-R266 PolarHBondContact O-N 3.2Å; T263-R266 PolarHBondContact O-NH1 3.23Å; T263-R266 WeakPolarHBondContact OG1-CB 3.47Å
264	P	93.4	Very high	94.7	Very high	88 Å²	88	43.1 Å²	43.1	57%	0.571	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.2	-178.6	-27.4	34.7	0	0	0	113.7	Y137	Y137-P264 HydrophobicContact CE1-CG 3.69Å
265	W	94.9	Very high	94.8	Very high	28 Å²	28	48 Å²	48	11%	0.106	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7.6	-177.1	63.6	83.3	0	0	0	114.2	L54 Y137 G166 T263 F267 D268 T271 R275	L54-W265 HydrophobicContact CD1-CH2 4.05Å; L54-W265 HydrophobicContact CD1-CZ2 3.91Å; Y137-W265 HydrophobicContact CD2-CH2 4.26Å; Y137-W265 AromaticContact CE2-CH2 3.75Å; Y137-W265 HydrophobicContact CE2-CH2 3.75Å; Y137-W265 AromaticContact CE2-CZ3 3.77Å; Y137-W265 HydrophobicContact CE2-CZ3 3.77Å; G166-W265 PolarHBondContact O-NE1 3.05Å; T263-W265 HydrophobicContact CG2-CH2 3.98Å; T263-W265 HydrophobicContact CG2-CZ2 3.63Å; T263-W265 PolarHBondContact O-N 2.7Å; W265-F267 PolarHBondContact O-N 3Å; W265-D268 HydrophobicContact CB-CB 4.18Å; W265-D268 PolarHBondContact O-N 2.99Å; W265-T271 HydrophobicContact CB-CG2 3.31Å; W265-T271 HydrophobicContact CD2-CG2 4.19Å; W265-T271 HydrophobicContact CG-CG2 3.4Å; W265-R275 VanDerWaalsContact NE1-CD 3.27Å
266	R	94.7	Very high	94.8	Very high	87 Å²	87	48 Å²	48	33%	0.328	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-16.4	-173.5	65.8	-172	176.9	-94.2	5.4	115.8	P164 P261 T263	P164-R266 VanDerWaalsContact CG-O 3.28Å; P164-R266 WeakPolarHBondContact CG-O 3.15Å; P261-R266 WeakPolarHBondContact O-CD 3.3Å; T263-R266 WeakPolarHBondContact O-CB 3.48Å; T263-R266 WeakPolarHBondContact O-CD 3.44Å; T263-R266 VanDerWaalsContact O-CG 3.29Å; T263-R266 WeakPolarHBondContact O-CG 3.41Å; T263-R266 PolarHBondContact O-N 3.2Å; T263-R266 PolarHBondContact O-NH1 3.23Å; T263-R266 WeakPolarHBondContact OG1-CB 3.47Å
267	F	95.8	Very high	94.6	Very high	82 Å²	82	51 Å²	51	36%	0.36	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	13.9	175.8	-62	-61	0	0	0	113.2	I260 W265 V289 F292	I260-F267 HydrophobicContact CG2-CZ 4.23Å; W265-F267 PolarHBondContact O-N 3Å; F267-V289 HydrophobicContact CB-CG1 4.25Å; F267-V289 WeakPolarHBondContact O-CG1 3.42Å; F267-F292 HydrophobicContact CE1-CB 4.32Å; F267-F292 AromaticContact CE1-CD1 3.91Å; F267-F292 HydrophobicContact CE1-CD1 3.91Å; F267-F292 AromaticContact CE1-CD2 3.78Å; F267-F292 HydrophobicContact CE1-CD2 3.78Å; F267-F292 HydrophobicContact CE1-CE1 4.14Å; F267-F292 HydrophobicContact CE1-CE2 4.03Å; F267-F292 AromaticContact CE1-CG 3.72Å; F267-F292 HydrophobicContact CE1-CG 3.72Å; F267-F292 HydrophobicContact CE1-CZ 4.2Å; F267-F292 HydrophobicContact CZ-CD1 4.05Å; F267-F292 HydrophobicContact CZ-CD2 4.48Å; F267-F292 AromaticContact CZ-CE1 3.94Å; F267-F292 HydrophobicContact CZ-CE1 3.94Å; F267-F292 HydrophobicContact CZ-CE2 4.39Å; F267-F292 HydrophobicContact CZ-CG 4.32Å; F267-F292 HydrophobicContact CZ-CZ 4.12Å
268	D	97.3	Very high	94.3	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.374	26%	0.263	S	S	.	.			trans	-94	101	175.3	174.9	19.8	0	0	0	109.8	W265 E270 T271 L272	W265-D268 HydrophobicContact CB-CB 4.18Å; W265-D268 PolarHBondContact O-N 2.99Å; D268-E270 PolarHBondContact O-N 3.18Å; D268-T271 PolarHBondContact O-N 3.29Å; D268-T271 WeakPolarHBondContact OD2-CB 3.46Å; D268-T271 PolarHBondContact OD2-OG1 3.19Å; D268-L272 WeakPolarHBondContact O-CB 3.27Å; D268-L272 WeakPolarHBondContact O-CD1 3.37Å; D268-L272 WeakPolarHBondContact O-CG 3.48Å; D268-L272 PolarHBondContact O-N 2.95Å
269	A	97.4	Very high	94	Very high	16 Å²	16	60.5 Å²	60.5	13%	0.132	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-40.5	-168.4	0	0	0	0	0	113.8	L272 A273 L282 I285 E286	A269-L272 PolarHBondContact O-N 3.49Å; A269-A273 WeakPolarHBondContact O-CB 3.45Å; A269-A273 PolarHBondContact O-N 3.35Å; A269-L282 HydrophobicContact CB-CD1 4.04Å; A269-L282 WeakPolarHBondContact O-CD1 3.33Å; A269-I285 HydrophobicContact CB-CG2 4.12Å; A269-E286 HydrophobicContact CB-CB 4.46Å; A269-E286 HydrophobicContact CB-CG 3.59Å
270	E	97.1	Very high	93.9	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-63.7	-47.6	178.5	-66.9	-179.8	-167.8	0	0	110.7	D268 L272 A273 M274	D268-E270 PolarHBondContact O-N 3.18Å; E270-L272 PolarHBondContact O-N 3.12Å; E270-A273 PolarHBondContact O-N 2.8Å; E270-M274 WeakPolarHBondContact O-CG 3.36Å; E270-M274 PolarHBondContact O-N 2.9Å
271	T	96.6	Very high	93.9	Very high	22 Å²	22	62.5 Å²	62.5	14%	0.135	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-40.6	177.5	-71.7	0	0	0	0	112.6	W265 D268 M274 R275	W265-T271 HydrophobicContact CB-CG2 3.31Å; W265-T271 HydrophobicContact CD2-CG2 4.19Å; W265-T271 HydrophobicContact CG-CG2 3.4Å; D268-T271 PolarHBondContact O-N 3.29Å; D268-T271 WeakPolarHBondContact OD2-CB 3.46Å; D268-T271 PolarHBondContact OD2-OG1 3.19Å; T271-M274 PolarHBondContact O-N 3.47Å; T271-R275 HydrophobicContact CG2-CG 4.45Å; T271-R275 WeakPolarHBondContact O-CB 3.49Å; T271-R275 WeakPolarHBondContact O-CG 3.35Å; T271-R275 PolarHBondContact O-N 3.45Å
272	L	97.2	Very high	94	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-44.4	175.6	-71.5	167.1	0	0	0	110.8	P164 P165 S167 D268 A269 E270 M274 R275 N276 I285 V289	P164-L272 HydrophobicContact CB-CD1 4.03Å; P164-L272 HydrophobicContact CG-CD1 3.42Å; P164-L272 VanDerWaalsContact CG-CD1 3.42Å; P164-L272 HydrophobicContact CG-CD2 4.14Å; P164-L272 HydrophobicContact CG-CG 4.42Å; P165-L272 WeakPolarHBondContact O-CD2 3.27Å; S167-L272 VanDerWaalsContact CA-CD2 3.47Å; S167-L272 VanDerWaalsContact N-CD2 3.32Å; D268-L272 WeakPolarHBondContact O-CB 3.27Å; D268-L272 WeakPolarHBondContact O-CD1 3.37Å; D268-L272 WeakPolarHBondContact O-CG 3.48Å; D268-L272 PolarHBondContact O-N 2.95Å; A269-L272 PolarHBondContact O-N 3.49Å; E270-L272 PolarHBondContact O-N 3.12Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.16Å; L272-R275 PolarHBondContact O-N 2.97Å; L272-R275 VanDerWaalsContact O-N 3.14Å; L272-N276 WeakPolarHBondContact O-CB 3.42Å; L272-N276 PolarHBondContact O-N 3.13Å; L272-I285 HydrophobicContact CB-CD1 4.42Å; L272-I285 HydrophobicContact CB-CG2 3.63Å; L272-I285 HydrophobicContact CD1-CG2 3.88Å; L272-I285 HydrophobicContact CG-CG2 4.43Å; L272-V289 HydrophobicContact CD1-CG2 3.73Å
273	A	96.1	Very high	94.3	Very high	26 Å²	26	69.3 Å²	69.3	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-61	-41.3	176	0	0	0	0	0	111.9	A269 E270 R275 N276 L282 I285	A269-A273 WeakPolarHBondContact O-CB 3.45Å; A269-A273 PolarHBondContact O-N 3.35Å; E270-A273 PolarHBondContact O-N 2.8Å; A273-R275 VanDerWaalsContact C-N 3.3Å; A273-R275 PolarHBondContact O-N 2.77Å; A273-N276 PolarHBondContact O-ND2 3.31Å; A273-L282 HydrophobicContact CB-CB 4.23Å; A273-L282 HydrophobicContact CB-CD1 3.88Å; A273-I285 VanDerWaalsContact CA-CD1 3.47Å; A273-I285 HydrophobicContact CB-CD1 3.92Å
274	M	94.8	Very high	94.4	Very high	141 Å²	141	71.8 Å²	71.8	70%	0.695	36%	0.363	S	S	*	.	H	α-helix	trans	-66.5	-28.9	175.1	-70.4	-172.9	-72.6	0	0	113.9	E270 T271 L272	E270-M274 WeakPolarHBondContact O-CG 3.36Å; E270-M274 PolarHBondContact O-N 2.9Å; T271-M274 PolarHBondContact O-N 3.47Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.16Å
275	R	93.2	Very high	94.5	Very high	113 Å²	113	67.6 Å²	67.6	43%	0.426	34%	0.336	S	S	.	.	H	α-helix	trans	-98.5	-11.3	-173.9	-73.5	174.8	164.7	66.6	-12.7	114.3	W265 T271 L272 A273	W265-R275 VanDerWaalsContact NE1-CD 3.27Å; T271-R275 HydrophobicContact CG2-CG 4.45Å; T271-R275 WeakPolarHBondContact O-CB 3.49Å; T271-R275 WeakPolarHBondContact O-CG 3.35Å; T271-R275 PolarHBondContact O-N 3.45Å; L272-R275 PolarHBondContact O-N 2.97Å; L272-R275 VanDerWaalsContact O-N 3.14Å; A273-R275 VanDerWaalsContact C-N 3.3Å; A273-R275 PolarHBondContact O-N 2.77Å
276	N	91.7	Very high	94.7	Very high	17 Å²	17	70 Å²	70	9%	0.091	35%	0.348	C	S	.	.			trans	-75.8	139.6	-177.9	92.9	92.8	0	0	0	111.2	P165 L272 A273 H278 F279 V280 I285	P165-N276 HydrophobicContact CB-CB 4Å; L272-N276 WeakPolarHBondContact O-CB 3.42Å; L272-N276 PolarHBondContact O-N 3.13Å; A273-N276 PolarHBondContact O-ND2 3.31Å; N276-H278 PolarHBondContact OD1-N 3.08Å; N276-F279 WeakPolarHBondContact OD1-CA 3.42Å; N276-F279 PolarHBondContact OD1-N 2.82Å; N276-V280 PolarHBondContact ND2-O 3.14Å; N276-V280 PolarHBondContact OD1-N 3.46Å; N276-I285 HydrophobicContact CB-CD1 4.38Å
277	V	88.9	Confident	94.8	Very high	72 Å²	72	67.2 Å²	67.2	44%	0.436	34%	0.344	S	S	.	.	S	Bend	trans	-95.4	-11	-174.1	-62.9	0	0	0	0	113.9	C55	C55-V277 HydrophobicContact CB-CG1 3.76Å
278	H	86.9	Confident	94.8	Very high	41 Å²	41	65.6 Å²	65.6	19%	0.19	34%	0.336	C	S	.	.	S	Bend	trans	-101.3	13.8	-179.2	-58.2	-57.2	0	0	0	112.6	D189 Y201 N276 V280	D189-H278 IonicContact OD2-CD2 3.76Å; D189-H278 IonicContact OD2-NE2 2.84Å; Y201-H278 AromaticContact CD1-ND1 3.87Å; Y201-H278 AromaticContact CD2-CE1 3.74Å; Y201-H278 AromaticContact CD2-ND1 3.49Å; Y201-H278 WeakPolarHBondContact CD2-ND1 3.38Å; Y201-H278 HydrophobicContact CE1-CB 3.95Å; Y201-H278 AromaticContact CE1-ND1 3.76Å; Y201-H278 AromaticContact CE2-CE1 3.65Å; Y201-H278 AromaticContact CE2-ND1 3.36Å; Y201-H278 WeakPolarHBondContact CE2-ND1 3.29Å; Y201-H278 AromaticContact CG-ND1 3.75Å; Y201-H278 AromaticContact CZ-CG 3.82Å; Y201-H278 AromaticContact CZ-ND1 3.54Å; N276-H278 PolarHBondContact OD1-N 3.08Å; H278-V280 HydrophobicContact CB-CG2 4.23Å; H278-V280 PolarHBondContact O-N 3.33Å; H278-V280 VanDerWaalsContact O-N 3.08Å
279	F	89.5	Confident	94.8	Very high	189 Å²	189	63.9 Å²	63.9	83%	0.829	33%	0.328	S	S	*	.			trans	50.7	33.1	179.4	-53.5	-77.4	0	0	0	114.6	N276 S281	N276-F279 WeakPolarHBondContact OD1-CA 3.42Å; N276-F279 PolarHBondContact OD1-N 2.82Å; F279-S281 PolarHBondContact O-N 2.78Å
280	V	91.8	Very high	94.8	Very high	39 Å²	39	71.3 Å²	71.3	24%	0.236	35%	0.353	C	S	.	.			trans	-59.7	129.1	174.1	-176.8	0	0	0	0	108.8	P165 N276 H278 T284 I285	P165-V280 HydrophobicContact CB-CB 4.36Å; P165-V280 HydrophobicContact CB-CG2 4.14Å; P165-V280 HydrophobicContact CG-CB 4.35Å; P165-V280 HydrophobicContact CG-CG1 4.28Å; P165-V280 HydrophobicContact CG-CG2 4.04Å; N276-V280 PolarHBondContact ND2-O 3.14Å; N276-V280 PolarHBondContact OD1-N 3.46Å; H278-V280 HydrophobicContact CB-CG2 4.23Å; H278-V280 PolarHBondContact O-N 3.33Å; H278-V280 VanDerWaalsContact O-N 3.08Å; V280-T284 HydrophobicContact CG1-CG2 3.6Å; V280-I285 HydrophobicContact CB-CD1 4.31Å; V280-I285 HydrophobicContact CB-CG1 4.31Å; V280-I285 HydrophobicContact CG1-CD1 4.44Å; V280-I285 HydrophobicContact CG1-CG1 3.91Å
281	S	94.9	Very high	94.7	Very high	58 Å²	58	68.5 Å²	68.5	41%	0.406	34%	0.342	S	S	.	.			trans	-61.2	149.3	-175.9	70.6	0	0	0	0	112.2	F279 E283 T284 I285	F279-S281 PolarHBondContact O-N 2.78Å; S281-E283 PolarHBondContact O-N 3.45Å; S281-T284 WeakPolarHBondContact O-CB 3.45Å; S281-T284 PolarHBondContact O-N 2.99Å; S281-T284 VanDerWaalsContact O-N 3.08Å; S281-T284 WeakPolarHBondContact OG-CB 3.48Å; S281-T284 PolarHBondContact OG-N 3.06Å; S281-T284 PolarHBondContact OG-OG1 3.38Å; S281-I285 PolarHBondContact O-N 3.09Å
282	L	97.1	Very high	94.7	Very high	70 Å²	70	69.5 Å²	69.5	37%	0.366	35%	0.345	S	S	.	.	H	α-helix	trans	-53.2	-45	175.2	176.6	60.7	0	0	0	111.2	A269 A273 T284 I285 E286	A269-L282 HydrophobicContact CB-CD1 4.04Å; A269-L282 WeakPolarHBondContact O-CD1 3.33Å; A273-L282 HydrophobicContact CB-CB 4.23Å; A273-L282 HydrophobicContact CB-CD1 3.88Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 3.42Å; L282-I285 PolarHBondContact O-N 3.31Å; L282-I285 VanDerWaalsContact O-N 3.13Å; L282-E286 HydrophobicContact CD1-CG 4.12Å; L282-E286 HydrophobicContact CG-CG 4.28Å; L282-E286 WeakPolarHBondContact O-CB 3.44Å; L282-E286 WeakPolarHBondContact O-CG 3.26Å; L282-E286 PolarHBondContact O-N 2.79Å
283	E	97.2	Very high	94.6	Very high	153 Å²	153	72 Å²	72	72%	0.715	36%	0.356	S	S	*	.	H	α-helix	trans	-56.2	-43.3	177.5	-176.4	-179.9	-172.4	0	0	112.6	S281 E286 A287	S281-E283 PolarHBondContact O-N 3.45Å; E283-E286 PolarHBondContact O-N 3.31Å; E283-A287 WeakPolarHBondContact O-CB 3.47Å; E283-A287 PolarHBondContact O-N 3.49Å
284	T	95.2	Very high	94.4	Very high	62 Å²	62	74 Å²	74	38%	0.38	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-40.2	177.9	-58	0	0	0	0	111.4	V280 S281 L282 A287 K288	V280-T284 HydrophobicContact CG1-CG2 3.6Å; S281-T284 WeakPolarHBondContact O-CB 3.45Å; S281-T284 PolarHBondContact O-N 2.99Å; S281-T284 VanDerWaalsContact O-N 3.08Å; S281-T284 WeakPolarHBondContact OG-CB 3.48Å; S281-T284 PolarHBondContact OG-N 3.06Å; S281-T284 PolarHBondContact OG-OG1 3.38Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 3.42Å; T284-A287 PolarHBondContact O-N 2.95Å; T284-K288 PolarHBondContact O-N 2.91Å
285	I	97.3	Very high	94.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-44.9	177.1	-70.5	173.2	0	0	0	110.6	P165 A269 L272 A273 N276 V280 S281 L282 A287 K288 V289	P165-I285 HydrophobicContact CB-CD1 4.49Å; P165-I285 HydrophobicContact CB-CG1 4.48Å; A269-I285 HydrophobicContact CB-CG2 4.12Å; L272-I285 HydrophobicContact CB-CD1 4.42Å; L272-I285 HydrophobicContact CB-CG2 3.63Å; L272-I285 HydrophobicContact CD1-CG2 3.88Å; L272-I285 HydrophobicContact CG-CG2 4.43Å; A273-I285 VanDerWaalsContact CA-CD1 3.47Å; A273-I285 HydrophobicContact CB-CD1 3.92Å; N276-I285 HydrophobicContact CB-CD1 4.38Å; V280-I285 HydrophobicContact CB-CD1 4.31Å; V280-I285 HydrophobicContact CB-CG1 4.31Å; V280-I285 HydrophobicContact CG1-CD1 4.44Å; V280-I285 HydrophobicContact CG1-CG1 3.91Å; S281-I285 PolarHBondContact O-N 3.09Å; L282-I285 PolarHBondContact O-N 3.31Å; L282-I285 VanDerWaalsContact O-N 3.13Å; I285-A287 VanDerWaalsContact C-N 3.29Å; I285-A287 PolarHBondContact O-N 3.06Å; I285-K288 PolarHBondContact O-N 3.48Å; I285-K288 VanDerWaalsContact O-N 3.13Å; I285-V289 HydrophobicContact CG2-CG2 4.39Å; I285-V289 WeakPolarHBondContact O-CG2 3.42Å; I285-V289 PolarHBondContact O-N 2.98Å
286	E	98	Very high	94.3	Very high	77 Å²	77	65 Å²	65	36%	0.36	32%	0.321	S	S	.	.	H	α-helix	trans	-56.9	-43.7	174.5	-75.5	-178.4	165.6	0	0	111.4	A269 L282 E283 V289 R290	A269-E286 HydrophobicContact CB-CB 4.46Å; A269-E286 HydrophobicContact CB-CG 3.59Å; L282-E286 HydrophobicContact CD1-CG 4.12Å; L282-E286 HydrophobicContact CG-CG 4.28Å; L282-E286 WeakPolarHBondContact O-CB 3.44Å; L282-E286 WeakPolarHBondContact O-CG 3.26Å; L282-E286 PolarHBondContact O-N 2.79Å; E283-E286 PolarHBondContact O-N 3.31Å; E286-V289 PolarHBondContact O-N 3.25Å; E286-R290 VanDerWaalsContact O-CB 3.25Å; E286-R290 WeakPolarHBondContact O-CB 3.22Å; E286-R290 PolarHBondContact O-N 2.81Å
287	A	97	Very high	94.5	Very high	30 Å²	30	64.1 Å²	64.1	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-44.2	174.9	0	0	0	0	0	112	E283 T284 I285 R290 N291	E283-A287 WeakPolarHBondContact O-CB 3.47Å; E283-A287 PolarHBondContact O-N 3.49Å; T284-A287 PolarHBondContact O-N 2.95Å; I285-A287 VanDerWaalsContact C-N 3.29Å; I285-A287 PolarHBondContact O-N 3.06Å; A287-R290 PolarHBondContact O-N 2.9Å; A287-N291 WeakPolarHBondContact O-CB 3.25Å; A287-N291 VanDerWaalsContact O-CG 3.27Å; A287-N291 PolarHBondContact O-N 2.8Å; A287-N291 PolarHBondContact O-ND2 3.47Å
288	K	96.4	Very high	94.7	Very high	47 Å²	47	61.8 Å²	61.8	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-37.9	176.9	-79.7	-175.7	177.3	-76.9	0	112.9	P164 P165 T235 T237 E241 T284 I285 F292	P164-K288 HydrophobicContact CB-CB 4.26Å; P165-K288 HydrophobicContact CG-CD 4.34Å; T235-K288 HydrophobicContact CG2-CD 4.49Å; T235-K288 PolarHBondContact OG1-NZ 3.26Å; T235-K288 VanDerWaalsContact OG1-NZ 3.08Å; T237-K288 HydrophobicContact CG2-CB 4.37Å; E241-K288 IonicContact OE1-NZ 3.3Å; T284-K288 PolarHBondContact O-N 2.91Å; I285-K288 PolarHBondContact O-N 3.48Å; I285-K288 VanDerWaalsContact O-N 3.13Å; K288-F292 PolarHBondContact O-N 3.32Å
289	V	97.2	Very high	95.1	Very high	34 Å²	34	61.6 Å²	61.6	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-50	174.9	171.3	0	0	0	0	110.4	P164 F267 L272 I285 E286 N291 F292	P164-V289 HydrophobicContact CB-CG2 4.25Å; P164-V289 HydrophobicContact CG-CG2 3.99Å; F267-V289 HydrophobicContact CB-CG1 4.25Å; F267-V289 WeakPolarHBondContact O-CG1 3.42Å; L272-V289 HydrophobicContact CD1-CG2 3.73Å; I285-V289 HydrophobicContact CG2-CG2 4.39Å; I285-V289 WeakPolarHBondContact O-CG2 3.42Å; I285-V289 PolarHBondContact O-N 2.98Å; E286-V289 PolarHBondContact O-N 3.25Å; V289-N291 VanDerWaalsContact C-N 3.26Å; V289-N291 PolarHBondContact O-N 2.93Å; V289-F292 WeakPolarHBondContact O-CB 3.41Å; V289-F292 PolarHBondContact O-N 2.95Å
290	R	97	Very high	95.4	Very high	172 Å²	172	52.7 Å²	52.7	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-59.6	-37.8	-179.9	-170	-172.2	-50.5	120	6.1	112.4	E286 A287	E286-R290 VanDerWaalsContact O-CB 3.25Å; E286-R290 WeakPolarHBondContact O-CB 3.22Å; E286-R290 PolarHBondContact O-N 2.81Å; A287-R290 PolarHBondContact O-N 2.9Å
291	N	95.9	Very high	95.5	Very high	75 Å²	75	50.8 Å²	50.8	40%	0.401	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	6.1	-177	-67.3	-29.4	0	0	0	113.3	R238 A287 V289 E293	R238-N291 WeakPolarHBondContact CD-O 3.2Å; R238-N291 PolarHBondContact NH1-O 3.45Å; A287-N291 WeakPolarHBondContact O-CB 3.25Å; A287-N291 VanDerWaalsContact O-CG 3.27Å; A287-N291 PolarHBondContact O-N 2.8Å; A287-N291 PolarHBondContact O-ND2 3.47Å; V289-N291 VanDerWaalsContact C-N 3.26Å; V289-N291 PolarHBondContact O-N 2.93Å; N291-E293 PolarHBondContact O-N 3.39Å; N291-E293 VanDerWaalsContact O-N 3.12Å
292	F	96.2	Very high	95.5	Very high	44 Å²	44	48 Å²	48	19%	0.193	23%	0.231	C	C	.	.			trans	-63	114.8	-178.3	-167.5	-86.2	0	0	0	111.3	R162 T237 I260 F267 K288 V289	R162-F292 HydrophobicContact CB-CE2 4.45Å; R162-F292 HydrophobicContact CB-CZ 4.26Å; T237-F292 HydrophobicContact CG2-CD2 3.95Å; T237-F292 HydrophobicContact CG2-CE2 4.32Å; I260-F292 HydrophobicContact CD1-CE1 3.81Å; I260-F292 HydrophobicContact CD1-CZ 3.63Å; I260-F292 HydrophobicContact CG1-CZ 3.99Å; F267-F292 HydrophobicContact CE1-CB 4.32Å; F267-F292 AromaticContact CE1-CD1 3.91Å; F267-F292 HydrophobicContact CE1-CD1 3.91Å; F267-F292 AromaticContact CE1-CD2 3.78Å; F267-F292 HydrophobicContact CE1-CD2 3.78Å; F267-F292 HydrophobicContact CE1-CE1 4.14Å; F267-F292 HydrophobicContact CE1-CE2 4.03Å; F267-F292 AromaticContact CE1-CG 3.72Å; F267-F292 HydrophobicContact CE1-CG 3.72Å; F267-F292 HydrophobicContact CE1-CZ 4.2Å; F267-F292 HydrophobicContact CZ-CD1 4.05Å; F267-F292 HydrophobicContact CZ-CD2 4.48Å; F267-F292 AromaticContact CZ-CE1 3.94Å; F267-F292 HydrophobicContact CZ-CE1 3.94Å; F267-F292 HydrophobicContact CZ-CE2 4.39Å; F267-F292 HydrophobicContact CZ-CG 4.32Å; F267-F292 HydrophobicContact CZ-CZ 4.12Å; K288-F292 PolarHBondContact O-N 3.32Å; V289-F292 WeakPolarHBondContact O-CB 3.41Å; V289-F292 PolarHBondContact O-N 2.95Å
293	E	93.8	Very high	95.2	Very high	51 Å²	51	45 Å²	45	24%	0.238	22%	0.215	C	C	.	.			trans	-91.9	148.1	-177.9	-72	178.8	163.8	0	0	111.9	R162 T237 R238 S239 N291	R162-E293 PolarHBondContact NH1-O 3.12Å; R162-E293 PolarHBondContact NH2-O 3.38Å; T237-E293 PolarHBondContact O-N 3.23Å; R238-E293 IonicContact CZ-OE1 3.46Å; R238-E293 IonicContact NE-OE1 2.7Å; R238-E293 PolarHBondContact NE-OE1 3.46Å; R238-E293 IonicContact NE-OE2 2.65Å; R238-E293 IonicContact NH1-OE1 2.89Å; R238-E293 PolarHBondContact NH1-OE1 3.44Å; R238-E293 IonicContact NH2-OE1 3.1Å; R238-E293 PolarHBondContact NH2-OE1 2.94Å; S239-E293 WeakPolarHBondContact CB-OE2 3.3Å; S239-E293 PolarHBondContact N-OE2 3.42Å; S239-E293 PolarHBondContact OG-OE2 3.46Å; N291-E293 PolarHBondContact O-N 3.39Å; N291-E293 VanDerWaalsContact O-N 3.12Å
294	H	91.6	Very high	94.8	Very high	69 Å²	69	37.7 Å²	37.7	32%	0.319	18%	0.181	S	C	.	.			trans	-78.7	127	159.7	-166.4	-80.4	0	0	0	109.2	Y296	H294-Y296 HydrophobicContact CB-CE1 4.44Å; H294-Y296 HydrophobicContact CB-CE2 4.11Å; H294-Y296 AromaticContact CE1-CD1 3.79Å; H294-Y296 AromaticContact CE1-CE1 3.66Å; H294-Y296 AromaticContact CG-CE1 3.88Å; H294-Y296 AromaticContact CG-CZ 3.84Å; H294-Y296 AromaticContact ND1-CD1 3.33Å; H294-Y296 VanDerWaalsContact ND1-CD1 3.33Å; H294-Y296 WeakPolarHBondContact ND1-CD1 3.26Å; H294-Y296 AromaticContact ND1-CE1 3.06Å; H294-Y296 WeakPolarHBondContact ND1-CE1 3.17Å; H294-Y296 AromaticContact ND1-CE2 3.92Å; H294-Y296 AromaticContact ND1-CG 3.85Å; H294-Y296 AromaticContact ND1-CZ 3.4Å
295	I	93.7	Very high	94.2	Very high	18 Å²	18	34.8 Å²	34.8	9%	0.092	16%	0.163	C	C	.	.			trans	-95.5	114.4	178.1	-58.9	178.5	0	0	0	108	A242 M258 Y610	A242-I295 HydrophobicContact CB-CD1 3.71Å; M258-I295 HydrophobicContact CE-CD1 4.45Å; M258-I295 HydrophobicContact CE-CG2 4.4Å; I295-Y610 HydrophobicContact CB-CE1 4.46Å; I295-Y610 HydrophobicContact CG2-CD1 3.85Å; I295-Y610 HydrophobicContact CG2-CE1 3.83Å
296	Y	93.9	Very high	93.2	Very high	46 Å²	46	35.6 Å²	35.6	18%	0.18	17%	0.17	C	C	.	.			trans	-93.7	128.7	179.1	-59.8	-75.9	0	0	0	110.8	H294 G418 E424 A427	H294-Y296 HydrophobicContact CB-CE1 4.44Å; H294-Y296 HydrophobicContact CB-CE2 4.11Å; H294-Y296 AromaticContact CE1-CD1 3.79Å; H294-Y296 AromaticContact CE1-CE1 3.66Å; H294-Y296 AromaticContact CG-CE1 3.88Å; H294-Y296 AromaticContact CG-CZ 3.84Å; H294-Y296 AromaticContact ND1-CD1 3.33Å; H294-Y296 VanDerWaalsContact ND1-CD1 3.33Å; H294-Y296 WeakPolarHBondContact ND1-CD1 3.26Å; H294-Y296 AromaticContact ND1-CE1 3.06Å; H294-Y296 WeakPolarHBondContact ND1-CE1 3.17Å; H294-Y296 AromaticContact ND1-CE2 3.92Å; H294-Y296 AromaticContact ND1-CG 3.85Å; H294-Y296 AromaticContact ND1-CZ 3.4Å; Y296-G418 VanDerWaalsContact CB-N 3.35Å; Y296-E424 HydrophobicContact CE1-CB 4.19Å; Y296-E424 VanDerWaalsContact OH-CG 3.32Å; Y296-E424 WeakPolarHBondContact OH-CG 3.46Å; Y296-E424 PolarHBondContact OH-OE1 2.9Å; Y296-A427 HydrophobicContact CD1-CB 3.79Å; Y296-A427 HydrophobicContact CE1-CB 3.65Å
297	P	94.1	Very high	92.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	-71.4	172.7	175.5	32.1	-35.9	0	0	0	112	Y300 S415 Y417 A608 S609 Y610	P297-Y300 VanDerWaalsContact CD-CZ 3.43Å; P297-Y300 WeakPolarHBondContact CD-OH 3.45Å; P297-Y300 HydrophobicContact CG-CD1 4.1Å; P297-Y300 HydrophobicContact CG-CD2 3.91Å; P297-Y300 HydrophobicContact CG-CE1 3.67Å; P297-Y300 HydrophobicContact CG-CE2 3.44Å; P297-Y300 VanDerWaalsContact CG-CE2 3.44Å; P297-Y300 HydrophobicContact CG-CG 4.21Å; P297-S415 PolarHBondContact O-OG 3.46Å; P297-Y417 WeakPolarHBondContact O-CA 3.4Å; P297-Y417 PolarHBondContact O-N 3.34Å; P297-A608 HydrophobicContact CB-CB 3.73Å; P297-A608 HydrophobicContact CG-CB 3.67Å; P297-S609 VanDerWaalsContact CB-O 3.23Å; P297-S609 WeakPolarHBondContact CB-O 3.23Å; P297-Y610 HydrophobicContact CB-CD1 3.86Å; P297-Y610 HydrophobicContact CB-CD2 4.46Å; P297-Y610 HydrophobicContact CB-CE1 3.93Å; P297-Y610 HydrophobicContact CB-CG 4.14Å; P297-Y610 HydrophobicContact CG-CE1 4.43Å
298	C	94.1	Very high	91.3	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.149	16%	0.161	C	C	.	.	S	Bend	trans	-64.1	-44.2	168.2	-168.6	0	0	0	0	110.9	S415 K416 Y417 S609	C298-S415 VanDerWaalsContact C-OG 3.3Å; C298-S415 CarbonylContact O-C 3.58Å; C298-S415 PolarHBondContact O-N 2.86Å; C298-S415 PolarHBondContact O-OG 3.41Å; C298-S415 VanDerWaalsContact O-OG 3.1Å; C298-K416 PolarHBondContact O-N 3.35Å; C298-Y417 HydrophobicContact CB-CD1 4.39Å; C298-Y417 HydrophobicContact CB-CE1 3.72Å; C298-Y417 HydrophobicContact CB-CE2 4.33Å; C298-S609 WeakPolarHBondContact CB-O 3.38Å; C298-S609 PolarHBondContact N-O 2.57Å
299	Y	95.2	Very high	90	Very high	37 Å²	37	32.7 Å²	32.7	15%	0.145	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	162.6	175.7	54.3	-89.3	0	0	0	112.1	F303 H409 K413 S609	Y299-F303 AromaticContact CD2-CZ 3.96Å; Y299-F303 HydrophobicContact CD2-CZ 3.96Å; Y299-F303 AromaticContact CE2-CE1 3.64Å; Y299-F303 HydrophobicContact CE2-CE1 3.64Å; Y299-F303 AromaticContact CE2-CZ 3.51Å; Y299-F303 HydrophobicContact CE2-CZ 3.51Å; Y299-H409 AromaticContact CE2-CD2 3.65Å; Y299-H409 AromaticContact CE2-NE2 3.64Å; Y299-H409 AromaticContact CZ-NE2 3.92Å; Y299-K413 CarbonylContact C-O 3.56Å; Y299-K413 VanDerWaalsContact CA-O 3.23Å; Y299-K413 WeakPolarHBondContact CA-O 3.3Å; Y299-K413 WeakPolarHBondContact CB-O 3.44Å; Y299-S609 PolarHBondContact O-N 3.03Å; Y299-S609 PolarHBondContact OH-OG 3.48Å
300	Y	95.4	Very high	88.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.3	173	-57	-103.1	0	0	0	109.2	P297 A412 K413 Y426 A427 V432 L436 A608	P297-Y300 VanDerWaalsContact CD-CZ 3.43Å; P297-Y300 WeakPolarHBondContact CD-OH 3.45Å; P297-Y300 HydrophobicContact CG-CD1 4.1Å; P297-Y300 HydrophobicContact CG-CD2 3.91Å; P297-Y300 HydrophobicContact CG-CE1 3.67Å; P297-Y300 HydrophobicContact CG-CE2 3.44Å; P297-Y300 VanDerWaalsContact CG-CE2 3.44Å; P297-Y300 HydrophobicContact CG-CG 4.21Å; Y300-A412 PolarHBondContact O-N 3.32Å; Y300-K413 HydrophobicContact CD2-CB 4.17Å; Y300-K413 HydrophobicContact CD2-CG 4.42Å; Y300-K413 PolarHBondContact N-O 3.32Å; Y300-K413 PolarHBondContact O-N 3.06Å; Y300-K413 VanDerWaalsContact O-N 3.14Å; Y300-Y426 AromaticContact CD1-CE1 3.93Å; Y300-Y426 HydrophobicContact CD1-CE1 3.93Å; Y300-Y426 AromaticContact CD2-CD1 3.81Å; Y300-Y426 HydrophobicContact CD2-CD1 3.81Å; Y300-Y426 AromaticContact CD2-CE1 3.61Å; Y300-Y426 HydrophobicContact CD2-CE1 3.61Å; Y300-Y426 HydrophobicContact CE1-CE1 4.39Å; Y300-Y426 AromaticContact CE2-CD1 3.9Å; Y300-Y426 HydrophobicContact CE2-CD1 3.9Å; Y300-Y426 HydrophobicContact CE2-CE1 4.11Å; Y300-Y426 HydrophobicContact CG-CD1 4.16Å; Y300-Y426 AromaticContact CG-CE1 3.51Å; Y300-Y426 HydrophobicContact CG-CE1 3.51Å; Y300-A427 WeakPolarHBondContact OH-CB 3.4Å; Y300-V432 HydrophobicContact CD1-CG1 3.97Å; Y300-V432 HydrophobicContact CE1-CG1 3.91Å; Y300-L436 HydrophobicContact CD1-CD1 4.38Å; Y300-L436 HydrophobicContact CD1-CD2 4.14Å; Y300-L436 HydrophobicContact CE1-CD1 3.96Å; Y300-L436 HydrophobicContact CE1-CD2 4.5Å; Y300-A608 HydrophobicContact CD1-CB 4.13Å; Y300-A608 HydrophobicContact CE1-CB 4.35Å
301	G	94.7	Very high	85.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-176.2	-178.4	0	0	0	0	0	114	F303 I410 F606 A607	G301-F303 VanDerWaalsContact C-CE2 3.49Å; G301-F303 VanDerWaalsContact O-CD2 3.28Å; G301-F303 WeakPolarHBondContact O-CD2 3.46Å; G301-F303 VanDerWaalsContact O-CE2 3.27Å; G301-F303 WeakPolarHBondContact O-CE2 3.34Å; G301-I410 CarbonylContact C-O 3.4Å; G301-I410 WeakPolarHBondContact CA-O 3.39Å; G301-F606 CarbonylContact O-C 3.37Å; G301-F606 WeakPolarHBondContact O-CA 3.41Å; G301-F606 WeakPolarHBondContact O-CD2 3.38Å; G301-A607 PolarHBondContact N-O 2.75Å; G301-A607 PolarHBondContact O-N 3.44Å
302	W	93.9	Very high	83.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.3	169.7	-62	-90.2	0	0	0	110.2	H409 I410 A412 F441 L461 V466 L470 W471 V604 T605 F606	W302-H409 CarbonylContact O-C 3.59Å; W302-H409 WeakPolarHBondContact O-CA 3.28Å; W302-H409 WeakPolarHBondContact O-CB 3.47Å; W302-I410 HydrophobicContact CB-CB 4.3Å; W302-I410 HydrophobicContact CB-CD1 4.19Å; W302-I410 HydrophobicContact CE3-CB 3.99Å; W302-I410 HydrophobicContact CE3-CG2 3.84Å; W302-I410 HydrophobicContact CZ3-CG2 4.25Å; W302-I410 PolarHBondContact N-O 3.43Å; W302-I410 PolarHBondContact O-N 3.11Å; W302-A412 HydrophobicContact CE3-CB 4.24Å; W302-A412 HydrophobicContact CH2-CB 3.88Å; W302-A412 HydrophobicContact CZ3-CB 3.57Å; W302-F441 AromaticContact CD1-CD2 3.6Å; W302-F441 AromaticContact CD1-CG 4Å; W302-F441 AromaticContact NE1-CD2 3.39Å; W302-F441 AromaticContact NE1-CE2 3.8Å; W302-F441 AromaticContact NE1-CG 3.65Å; W302-L461 HydrophobicContact CD2-CD2 4.36Å; W302-L461 HydrophobicContact CE3-CD2 3.82Å; W302-L461 HydrophobicContact CH2-CD1 4.1Å; W302-L461 HydrophobicContact CH2-CD2 3.95Å; W302-L461 HydrophobicContact CZ2-CD2 4.49Å; W302-L461 HydrophobicContact CZ3-CD1 4.11Å; W302-L461 HydrophobicContact CZ3-CD2 3.56Å; W302-V466 HydrophobicContact CH2-CG1 4.09Å; W302-V466 HydrophobicContact CZ2-CG1 3.38Å; W302-L470 HydrophobicContact CH2-CB 4.25Å; W302-L470 HydrophobicContact CZ2-CB 3.9Å; W302-L470 HydrophobicContact CZ2-CD1 4.23Å; W302-W471 AromaticContact CH2-CE3 4Å; W302-W471 HydrophobicContact CH2-CE3 4Å; W302-W471 AromaticContact CZ3-CE3 3.65Å; W302-W471 HydrophobicContact CZ3-CE3 3.65Å; W302-W471 AromaticContact CZ3-CZ3 3.86Å; W302-W471 HydrophobicContact CZ3-CZ3 3.86Å; W302-V604 HydrophobicContact CB-CB 3.92Å; W302-V604 HydrophobicContact CB-CG2 3.65Å; W302-V604 HydrophobicContact CG-CG2 3.95Å; W302-T605 CarbonylContact C-O 3.39Å; W302-T605 VanDerWaalsContact CA-O 3.3Å; W302-T605 WeakPolarHBondContact CA-O 3.37Å; W302-F606 HydrophobicContact CD2-CD2 4Å; W302-F606 AromaticContact CE2-CD2 3.59Å; W302-F606 HydrophobicContact CG-CD2 4.25Å; W302-F606 AromaticContact CZ2-CD2 3.89Å; W302-F606 HydrophobicContact CZ2-CD2 3.89Å; W302-F606 HydrophobicContact CZ2-CE2 4.19Å; W302-F606 AromaticContact NE1-CD2 3.64Å
303	F	91.9	Very high	81	Confident	5 Å²	5	34.8 Å²	34.8	2%	0.022	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.3	-172.5	-59.1	-104.3	0	0	0	111.3	F255 Y299 G301 H409 T605 A607	F255-F303 HydrophobicContact CD1-CB 4.14Å; F255-F303 HydrophobicContact CD1-CG 4.28Å; F255-F303 HydrophobicContact CE1-CB 3.18Å; F255-F303 AromaticContact CE1-CD1 3.43Å; F255-F303 HydrophobicContact CE1-CD1 3.43Å; F255-F303 VanDerWaalsContact CE1-CD1 3.43Å; F255-F303 AromaticContact CE1-CD2 3.96Å; F255-F303 HydrophobicContact CE1-CD2 3.96Å; F255-F303 HydrophobicContact CE1-CE1 4.21Å; F255-F303 AromaticContact CE1-CG 3.28Å; F255-F303 HydrophobicContact CE1-CG 3.28Å; F255-F303 HydrophobicContact CZ-CB 3.48Å; F255-F303 VanDerWaalsContact CZ-CB 3.48Å; F255-F303 AromaticContact CZ-CD1 3.83Å; F255-F303 HydrophobicContact CZ-CD1 3.83Å; F255-F303 AromaticContact CZ-CG 3.91Å; F255-F303 HydrophobicContact CZ-CG 3.91Å; Y299-F303 AromaticContact CD2-CZ 3.96Å; Y299-F303 HydrophobicContact CD2-CZ 3.96Å; Y299-F303 AromaticContact CE2-CE1 3.64Å; Y299-F303 HydrophobicContact CE2-CE1 3.64Å; Y299-F303 AromaticContact CE2-CZ 3.51Å; Y299-F303 HydrophobicContact CE2-CZ 3.51Å; G301-F303 VanDerWaalsContact C-CE2 3.49Å; G301-F303 VanDerWaalsContact O-CD2 3.28Å; G301-F303 WeakPolarHBondContact O-CD2 3.46Å; G301-F303 VanDerWaalsContact O-CE2 3.27Å; G301-F303 WeakPolarHBondContact O-CE2 3.34Å; F303-H409 HydrophobicContact CB-CB 4.5Å; F303-H409 HydrophobicContact CD1-CB 3.29Å; F303-H409 HydrophobicContact CE1-CB 3.61Å; F303-H409 AromaticContact CE1-CG 3.88Å; F303-H409 HydrophobicContact CG-CB 3.9Å; F303-H409 HydrophobicContact CZ-CB 4.43Å; F303-T605 PolarHBondContact N-O 3.06Å; F303-T605 PolarHBondContact O-N 3.5Å; F303-A607 HydrophobicContact CD2-CB 3.78Å; F303-A607 HydrophobicContact CE2-CB 4.03Å; F303-A607 WeakPolarHBondContact CE2-O 3.45Å
304	W	89.1	Confident	78.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.			trans	-101.4	102.6	165.7	-72.9	-99	0	0	0	109.9	V344 L347 I407 P408 I410 V443 V499 Y602 R603 V604	W304-V344 HydrophobicContact CB-CG2 3.2Å; W304-V344 HydrophobicContact CG-CG2 3.87Å; W304-L347 HydrophobicContact CD2-CD2 4.48Å; W304-L347 HydrophobicContact CH2-CD2 3.94Å; W304-L347 HydrophobicContact CZ2-CD2 3.89Å; W304-L347 HydrophobicContact CZ3-CD2 4.26Å; W304-I407 WeakPolarHBondContact O-CG2 3.19Å; W304-P408 HydrophobicContact CE3-CB 4.12Å; W304-P408 PolarHBondContact N-O 2.67Å; W304-I410 HydrophobicContact CH2-CD1 3.91Å; W304-I410 HydrophobicContact CH2-CG1 4.36Å; W304-I410 HydrophobicContact CZ3-CD1 4.06Å; W304-I410 HydrophobicContact CZ3-CG1 4.13Å; W304-V443 HydrophobicContact CH2-CG2 4.19Å; W304-V443 HydrophobicContact CZ2-CG2 4.09Å; W304-V499 HydrophobicContact CH2-CG2 3.8Å; W304-V499 HydrophobicContact CZ3-CG2 3.65Å; W304-Y602 HydrophobicContact CZ2-CD1 4.42Å; W304-Y602 HydrophobicContact CZ2-CG 4.08Å; W304-Y602 AromaticContact NE1-CD1 3.78Å; W304-R603 PolarHBondContact NE1-O 3Å; W304-V604 HydrophobicContact CD2-CG1 3.52Å; W304-V604 HydrophobicContact CE3-CG1 3.79Å; W304-V604 HydrophobicContact CG-CG1 4.16Å; W304-V604 HydrophobicContact CH2-CG1 3.69Å; W304-V604 HydrophobicContact CZ2-CG1 3.39Å; W304-V604 HydrophobicContact CZ3-CG1 3.87Å
305	P	80.8	Confident	76.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-70.7	151.3	-167	35	-43.7	0	0	0	115	W151 S155 F157 F255 P340	W151-P305 HydrophobicContact CZ2-CG 4.02Å; S155-P305 VanDerWaalsContact CB-CG 3.4Å; S155-P305 WeakPolarHBondContact OG-CG 3.35Å; F157-P305 HydrophobicContact CE2-CB 4.24Å; F157-P305 HydrophobicContact CE2-CG 4.16Å; F255-P305 HydrophobicContact CD2-CB 3.09Å; F255-P305 HydrophobicContact CE2-CB 3.26Å; F255-P305 HydrophobicContact CG-CB 3.9Å; F255-P305 HydrophobicContact CZ-CB 4.12Å; P305-P340 HydrophobicContact CG-CB 3.71Å; P305-P340 HydrophobicContact CG-CG 4.01Å
306	A	77.9	Confident	73.9	Confident	17 Å²	17	45.8 Å²	45.8	14%	0.14	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.8	144.2	179.3	0	0	0	0	0	110.8	S155 R156 H253 I407	S155-A306 CarbonylContact C-O 3.59Å; S155-A306 WeakPolarHBondContact CA-O 3.4Å; S155-A306 WeakPolarHBondContact CB-O 2.79Å; R156-A306 PolarHBondContact N-O 3.31Å; H253-A306 HydrophobicContact CB-CB 4.07Å; A306-I407 HydrophobicContact CB-CD1 3.6Å; A306-I407 HydrophobicContact CB-CG1 4.44Å
307	P	77.1	Confident	71.2	Confident	52 Å²	52	49.4 Å²	49.4	34%	0.338	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-63.4	148.7	174.3	26.1	-34	0	0	0	111.6	R156 C341	R156-P307 WeakPolarHBondContact CD-O 3.45Å; R156-P307 WeakPolarHBondContact CG-O 3.49Å; R156-P307 PolarHBondContact NE-O 3.18Å; P307-C341 HydrophobicContact CB-CB 3.78Å; P307-C341 HydrophobicContact CG-CB 3.92Å
308	P	77	Confident	68.3	Low	15 Å²	15	54.3 Å²	54.3	10%	0.097	30%	0.297	C	S	.	.			trans	-65.3	176.2	166.8	35.1	-38.6	0	0	0	110.3	K154 Y312	K154-P308 WeakPolarHBondContact O-CD 3.44Å; P308-Y312 HydrophobicContact CB-CD2 3.52Å; P308-Y312 HydrophobicContact CB-CE2 4Å; P308-Y312 HydrophobicContact CB-CG 4.34Å; P308-Y312 HydrophobicContact CG-CD2 3.48Å; P308-Y312 VanDerWaalsContact CG-CD2 3.48Å; P308-Y312 HydrophobicContact CG-CE2 4.3Å; P308-Y312 HydrophobicContact CG-CG 3.79Å
309	S	70.2	Confident	65.5	Low	27 Å²	27	59.4 Å²	59.4	19%	0.189	32%	0.323	C	S	.	.			trans	-58.1	157.9	174.1	58	0	0	0	0	112	S225 G226 T311 Y312	S225-S309 WeakPolarHBondContact O-CB 3.4Å; S225-S309 PolarHBondContact O-OG 2.97Å; G226-S309 PolarHBondContact O-N 3.02Å; G226-S309 PolarHBondContact O-OG 2.86Å; S309-T311 PolarHBondContact O-N 2.79Å; S309-T311 PolarHBondContact OG-OG1 2.82Å; S309-T311 VanDerWaalsContact OG-OG1 3.12Å; S309-Y312 PolarHBondContact O-N 3.41Å; S309-Y312 VanDerWaalsContact O-N 3.16Å
310	E	56	Low	62.5	Low	159 Å²	159	63.7 Å²	63.7	74%	0.743	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-14.4	-177.6	-69	-175.6	172.6	0	0	114.8	Y312 S313	E310-Y312 PolarHBondContact O-N 2.66Å; E310-Y312 VanDerWaalsContact O-N 3.12Å; E310-S313 WeakPolarHBondContact CA-OG 3.42Å; E310-S313 PolarHBondContact O-N 2.86Å; E310-S313 PolarHBondContact O-OG 3.14Å
311	T	51.6	Low	59.5	Low	96 Å²	96	68 Å²	68	59%	0.589	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.6	173.3	-29.5	0	0	0	0	113.1	S309	S309-T311 PolarHBondContact O-N 2.79Å; S309-T311 PolarHBondContact OG-OG1 2.82Å; S309-T311 VanDerWaalsContact OG-OG1 3.12Å
312	Y	48.5	Very low	56.5	Low	43 Å²	43	75.5 Å²	75.5	17%	0.169	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-26.7	178.8	-76.2	-81.8	0	0	0	114.8	M182 S228 P308 S309 E310 K314 L315	M182-Y312 HydrophobicContact CB-CE1 4.4Å; M182-Y312 WeakPolarHBondContact CB-OH 3.47Å; M182-Y312 HydrophobicContact CG-CE1 4.4Å; S228-Y312 PolarHBondContact O-OH 3.4Å; P308-Y312 HydrophobicContact CB-CD2 3.52Å; P308-Y312 HydrophobicContact CB-CE2 4Å; P308-Y312 HydrophobicContact CB-CG 4.34Å; P308-Y312 HydrophobicContact CG-CD2 3.48Å; P308-Y312 VanDerWaalsContact CG-CD2 3.48Å; P308-Y312 HydrophobicContact CG-CE2 4.3Å; P308-Y312 HydrophobicContact CG-CG 3.79Å; S309-Y312 PolarHBondContact O-N 3.41Å; S309-Y312 VanDerWaalsContact O-N 3.16Å; E310-Y312 PolarHBondContact O-N 2.66Å; E310-Y312 VanDerWaalsContact O-N 3.12Å; Y312-K314 PolarHBondContact O-N 3.21Å; Y312-L315 PolarHBondContact O-N 2.99Å
313	S	40.8	Very low	53.4	Low	71 Å²	71	82.4 Å²	82.4	50%	0.497	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20	-178.9	43.8	0	0	0	0	112.9	E310	E310-S313 WeakPolarHBondContact CA-OG 3.42Å; E310-S313 PolarHBondContact O-N 2.86Å; E310-S313 PolarHBondContact O-OG 3.14Å
314	K	42.5	Very low	50.6	Low	160 Å²	160	89.4 Å²	89.4	70%	0.696	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.5	174.6	-72.1	-177.1	-179.9	176.1	0	114.5	Y312	Y312-K314 PolarHBondContact O-N 3.21Å
315	L	44.3	Very low	47.9	Very low	122 Å²	122	95.6 Å²	95.6	64%	0.639	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.9	-177.8	-74.2	158.1	0	0	0	113.4	Y312	Y312-L315 PolarHBondContact O-N 2.99Å
316	D	43.2	Very low	45.6	Very low	86 Å²	86	100.4 Å²	100.4	46%	0.46	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-1.9	173.6	-86.9	-17.8	0	0	0	112.8	K154 S318	K154-D316 WeakPolarHBondContact CE-OD2 3.41Å; K154-D316 IonicContact NZ-OD1 2.91Å; K154-D316 PolarHBondContact NZ-OD1 3.44Å; K154-D316 IonicContact NZ-OD2 3.23Å; K154-D316 PolarHBondContact NZ-OD2 3.27Å; D316-S318 PolarHBondContact O-N 2.8Å
317	I	36.9	Very low	43.5	Very low	122 Å²	122	110.7 Å²	110.7	63%	0.626	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	0	-178	-61	175.9	0	0	0	112.4
318	S	33.6	Very low	41.5	Very low	104 Å²	104	114.3 Å²	114.3	73%	0.727	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	3.3	173.3	62.6	0	0	0	0	114.9	D316 N320	D316-S318 PolarHBondContact O-N 2.8Å; S318-N320 PolarHBondContact O-N 3.46Å
319	D	35.8	Very low	39.5	Very low	128 Å²	128	118.7 Å²	118.7	68%	0.684	66%	0.658	S	S	*	*			trans	-81.8	65.6	166.2	-152.4	7.7	0	0	0	110	S321	D319-S321 PolarHBondContact O-N 3.24Å
320	N	31	Very low	38	Very low	127 Å²	127	126.8 Å²	126.8	68%	0.679	69%	0.69	S	S	*	*			trans	-72.2	48.4	170.8	-90.4	-19.4	0	0	0	111.1	S318 L322	S318-N320 PolarHBondContact O-N 3.46Å; N320-L322 PolarHBondContact O-N 3.33Å; N320-L322 VanDerWaalsContact O-N 3.09Å
321	S	32	Very low	36.8	Very low	93 Å²	93	131.4 Å²	131.4	65%	0.65	70%	0.701	S	S	*	*			trans	-82.7	49.6	160.6	83.2	0	0	0	0	110.2	D319 D323	D319-S321 PolarHBondContact O-N 3.24Å; S321-D323 PolarHBondContact O-N 2.92Å
322	L	32	Very low	35.9	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	72%	0.716	S	S	*	*			trans	-90	63.8	160	-97.7	154.6	0	0	0	106.8	N320	N320-L322 PolarHBondContact O-N 3.33Å; N320-L322 VanDerWaalsContact O-N 3.09Å
323	D	29.5	Very low	35.3	Very low	145 Å²	145	145 Å²	145	78%	0.775	75%	0.746	S	S	*	*			trans	-146.9	144.2	169.2	-97.7	-32.4	0	0	0	109.6	S321	S321-D323 PolarHBondContact O-N 2.92Å
324	I	32.2	Very low	35.1	Very low	151 Å²	151	147.7 Å²	147.7	77%	0.774	77%	0.765	S	S	*	*			trans	94	74.3	175.3	-44.2	173	0	0	0	115.1
325	V	33.7	Very low	35	Very low	130 Å²	130	144.5 Å²	144.5	79%	0.788	76%	0.762	S	S	*	*			trans	-30.1	130	135.7	-179.1	0	0	0	0	112
326	S	32.2	Very low	35.2	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	77%	0.766	S	S	*	*			trans	65.2	82.8	157.4	60.2	0	0	0	0	120.1
327	R	33.7	Very low	35.9	Very low	234 Å²	234	146.2 Å²	146.2	88%	0.883	77%	0.767	S	S	*	*			trans	-147.8	141	146.1	-74.8	-163.7	173.7	169.1	-2.5	112.2
328	P	35.7	Very low	37.6	Very low	128 Å²	128	141.8 Å²	141.8	83%	0.831	75%	0.747	S	S	*	*			trans	-78.5	155.6	-173.4	31.7	-33.1	0	0	0	113.2	K330	P328-K330 PolarHBondContact O-N 2.91Å
329	A	33.2	Very low	39.9	Very low	107 Å²	107	139 Å²	139	88%	0.884	72%	0.724	S	S	*	*			trans	-52	113.9	-169.6	0	0	0	0	0	115.4
330	K	38.8	Very low	42.3	Very low	197 Å²	197	132.9 Å²	132.9	86%	0.857	69%	0.691	S	S	*	*			trans	-117.7	123.7	150.7	-79.5	-175.1	177.5	179.3	0	108.3	P328 R332	P328-K330 PolarHBondContact O-N 2.91Å; K330-R332 PolarHBondContact O-N 3.2Å
331	R	32.5	Very low	44.9	Very low	255 Å²	255	128.3 Å²	128.3	96%	0.962	67%	0.669	S	S	*	*			trans	-22.9	96.3	176.7	-76.7	172.9	157.5	163.9	-6.7	113.7	K333	R331-K333 PolarHBondContact O-N 2.59Å
332	R	31.1	Very low	47.5	Very low	241 Å²	241	128.2 Å²	128.2	91%	0.909	66%	0.659	S	S	*	*			trans	-75.7	116.3	159.3	-79.7	-176	171.2	164.4	-3.3	107	K330 S334	K330-R332 PolarHBondContact O-N 3.2Å; R332-S334 PolarHBondContact O-N 3.34Å
333	K	35.9	Very low	50.2	Low	183 Å²	183	121.5 Å²	121.5	80%	0.796	62%	0.624	S	S	*	*			trans	-52.1	126.3	163.1	-73.7	177.5	176	177.4	0	106.6	R331 S335	R331-K333 PolarHBondContact O-N 2.59Å; K333-S335 PolarHBondContact O-N 3.33Å
334	S	37.8	Very low	53.2	Low	128 Å²	128	115 Å²	115	90%	0.895	59%	0.589	S	S	*	*	S	Bend	trans	-68	26.5	-179.7	49.6	0	0	0	0	113.9	R332 I336	R332-S334 PolarHBondContact O-N 3.34Å; S334-I336 PolarHBondContact O-N 3.38Å
335	S	38.9	Very low	56	Low	93 Å²	93	111 Å²	111	65%	0.65	57%	0.57	S	S	*	*			trans	-92.2	67.4	-177.2	63.4	0	0	0	0	111.2	K333	K333-S335 PolarHBondContact O-N 3.33Å
336	I	49.4	Very low	58.8	Low	139 Å²	139	111.3 Å²	111.3	71%	0.713	56%	0.557	S	S	*	*	S	Bend	trans	-134.7	88.7	164.2	-55	178.3	0	0	0	106.6	S334	S334-I336 PolarHBondContact O-N 3.38Å
337	H	58.6	Low	61.7	Low	106 Å²	106	106.5 Å²	106.5	49%	0.491	52%	0.523	S	S	.	.			trans	36	93	167.7	-54	-52.7	0	0	0	117.3	N150 N339	N150-H337 PolarHBondContact ND2-CE1 2.65Å; N150-H337 PolarHBondContact ND2-ND1 3.17Å; N150-H337 PolarHBondContact ND2-NE2 2.93Å; H337-N339 PolarHBondContact O-N 2.93Å
338	S	71.7	Confident	64.7	Low	29 Å²	29	95.7 Å²	95.7	20%	0.203	48%	0.482	C	S	.	.			trans	-54.7	120.9	168.4	52.8	0	0	0	0	110.5	W151 R603	W151-S338 WeakPolarHBondContact CZ3-OG 3.19Å; S338-R603 WeakPolarHBondContact OG-CG 3.22Å
339	N	83.3	Confident	67.5	Low	44 Å²	44	95.4 Å²	95.4	24%	0.235	47%	0.468	C	S	.	.			trans	-87.4	118.5	172.6	-179.3	-43.3	0	0	0	108.5	K154 H337 C341 M342 E343	K154-N339 HydrophobicContact CD-CB 4.35Å; H337-N339 PolarHBondContact O-N 2.93Å; N339-C341 VanDerWaalsContact C-N 3.28Å; N339-C341 PolarHBondContact O-N 3.4Å; N339-C341 WeakPolarHBondContact OD1-CB 3.23Å; N339-C341 PolarHBondContact OD1-N 2.57Å; N339-M342 HydrophobicContact CB-CB 4.06Å; N339-M342 HydrophobicContact CB-CG 3.84Å; N339-M342 WeakPolarHBondContact O-CB 3.46Å; N339-M342 PolarHBondContact O-N 2.96Å; N339-E343 WeakPolarHBondContact O-CG 3.31Å; N339-E343 PolarHBondContact O-N 2.94Å
340	P	86	Confident	70.4	Confident	0 Å²	0	91.7 Å²	91.7	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-52.2	-42.3	-176.1	-32.7	41	0	0	0	114.5	W151 S155 P305 M342 E343 V344	W151-P340 HydrophobicContact CD2-CG 3.46Å; W151-P340 VanDerWaalsContact CD2-CG 3.46Å; W151-P340 HydrophobicContact CE3-CG 3.54Å; W151-P340 HydrophobicContact CG-CG 4.11Å; W151-P340 HydrophobicContact CH2-CB 4.03Å; W151-P340 HydrophobicContact CH2-CG 3.76Å; W151-P340 HydrophobicContact CZ2-CB 4Å; W151-P340 HydrophobicContact CZ2-CG 3.76Å; W151-P340 HydrophobicContact CZ3-CB 4.36Å; W151-P340 HydrophobicContact CZ3-CG 3.66Å; S155-P340 VanDerWaalsContact OG-CG 3.29Å; S155-P340 WeakPolarHBondContact OG-CG 3.19Å; P305-P340 HydrophobicContact CG-CB 3.71Å; P305-P340 HydrophobicContact CG-CG 4.01Å; P340-M342 PolarHBondContact O-N 2.87Å; P340-E343 WeakPolarHBondContact O-CB 3.42Å; P340-E343 PolarHBondContact O-N 2.9Å; P340-V344 WeakPolarHBondContact O-CG2 3.47Å; P340-V344 PolarHBondContact O-N 2.83Å
341	C	84.1	Confident	73.2	Confident	31 Å²	31	82.3 Å²	82.3	21%	0.209	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-41.1	178.5	-179.8	0	0	0	0	111.9	P307 N339 E343 V344 N345	P307-C341 HydrophobicContact CB-CB 3.78Å; P307-C341 HydrophobicContact CG-CB 3.92Å; N339-C341 VanDerWaalsContact C-N 3.28Å; N339-C341 PolarHBondContact O-N 3.4Å; N339-C341 WeakPolarHBondContact OD1-CB 3.23Å; N339-C341 PolarHBondContact OD1-N 2.57Å; C341-E343 VanDerWaalsContact C-N 3.32Å; C341-E343 PolarHBondContact O-N 2.56Å; C341-V344 PolarHBondContact O-N 3.42Å; C341-N345 WeakPolarHBondContact O-CB 3.38Å; C341-N345 PolarHBondContact O-N 2.75Å; C341-N345 PolarHBondContact O-ND2 2.85Å; C341-N345 PolarHBondContact SG-ND2 3.16Å
342	M	86.7	Confident	76.2	Confident	91 Å²	91	71.4 Å²	71.4	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-38.5	175.7	-65.3	-59	-60.9	0	0	111.7	N339 P340 R346	N339-M342 HydrophobicContact CB-CB 4.06Å; N339-M342 HydrophobicContact CB-CG 3.84Å; N339-M342 WeakPolarHBondContact O-CB 3.46Å; N339-M342 PolarHBondContact O-N 2.96Å; P340-M342 PolarHBondContact O-N 2.87Å; M342-R346 WeakPolarHBondContact O-CB 3.44Å; M342-R346 WeakPolarHBondContact O-CD 3.45Å; M342-R346 WeakPolarHBondContact O-CG 3.49Å; M342-R346 PolarHBondContact O-N 3.02Å
343	E	90	Very high	79.3	Confident	18 Å²	18	63.3 Å²	63.3	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-45.4	175.3	-63.9	-70	129	0	0	111.2	N339 P340 C341 R346 L347 Y602	N339-E343 WeakPolarHBondContact O-CG 3.31Å; N339-E343 PolarHBondContact O-N 2.94Å; P340-E343 WeakPolarHBondContact O-CB 3.42Å; P340-E343 PolarHBondContact O-N 2.9Å; C341-E343 VanDerWaalsContact C-N 3.32Å; C341-E343 PolarHBondContact O-N 2.56Å; E343-R346 PolarHBondContact O-N 2.78Å; E343-R346 IonicContact OE1-NH1 2.69Å; E343-R346 PolarHBondContact OE1-NH1 3.23Å; E343-L347 WeakPolarHBondContact O-CB 3.35Å; E343-L347 PolarHBondContact O-N 2.78Å; E343-Y602 HydrophobicContact CB-CD1 4.22Å; E343-Y602 WeakPolarHBondContact O-CE1 3.19Å; E343-Y602 VanDerWaalsContact OE2-CD1 3.25Å; E343-Y602 WeakPolarHBondContact OE2-CD1 3.44Å
344	V	90.9	Very high	82.2	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-52	175.1	174.8	0	0	0	0	111.6	W304 P340 C341 R346 L347 L348 P393 P408	W304-V344 HydrophobicContact CB-CG2 3.2Å; W304-V344 HydrophobicContact CG-CG2 3.87Å; P340-V344 WeakPolarHBondContact O-CG2 3.47Å; P340-V344 PolarHBondContact O-N 2.83Å; C341-V344 PolarHBondContact O-N 3.42Å; V344-R346 VanDerWaalsContact C-N 3.29Å; V344-R346 PolarHBondContact O-N 3.48Å; V344-L347 WeakPolarHBondContact O-CB 3.41Å; V344-L347 PolarHBondContact O-N 2.9Å; V344-L347 VanDerWaalsContact O-N 3.16Å; V344-L348 HydrophobicContact CG1-CD1 3.69Å; V344-L348 HydrophobicContact CG1-CG 4.23Å; V344-L348 WeakPolarHBondContact O-CG 3.16Å; V344-L348 PolarHBondContact O-N 3.1Å; V344-P393 HydrophobicContact CG1-CG 4.08Å; V344-P408 HydrophobicContact CG1-CG 4.1Å
345	N	90.9	Very high	85	Confident	69 Å²	69	49 Å²	49	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-37.2	-176.6	-71.2	-27.3	0	0	0	111.6	C341 K349	C341-N345 WeakPolarHBondContact O-CB 3.38Å; C341-N345 PolarHBondContact O-N 2.75Å; C341-N345 PolarHBondContact O-ND2 2.85Å; C341-N345 PolarHBondContact SG-ND2 3.16Å; N345-K349 WeakPolarHBondContact O-CB 3.18Å; N345-K349 PolarHBondContact O-N 3.31Å
346	R	92.4	Very high	87.7	Confident	136 Å²	136	46.1 Å²	46.1	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-46.2	173.4	-77	170.8	-176.9	163.9	0.5	111.8	M342 E343 V344 W350 Y602	M342-R346 WeakPolarHBondContact O-CB 3.44Å; M342-R346 WeakPolarHBondContact O-CD 3.45Å; M342-R346 WeakPolarHBondContact O-CG 3.49Å; M342-R346 PolarHBondContact O-N 3.02Å; E343-R346 PolarHBondContact O-N 2.78Å; E343-R346 IonicContact OE1-NH1 2.69Å; E343-R346 PolarHBondContact OE1-NH1 3.23Å; V344-R346 VanDerWaalsContact C-N 3.29Å; V344-R346 PolarHBondContact O-N 3.48Å; R346-W350 VanDerWaalsContact O-CB 3.25Å; R346-W350 WeakPolarHBondContact O-CB 3.32Å; R346-W350 PolarHBondContact O-N 3.02Å; R346-Y602 HydrophobicContact CB-CE1 4.19Å
347	L	94.6	Very high	90	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-51.6	179.4	175.6	64.2	0	0	0	111.5	W304 E343 V344 W350 G351 P408 I445 V499 M501 Y602	W304-L347 HydrophobicContact CD2-CD2 4.48Å; W304-L347 HydrophobicContact CH2-CD2 3.94Å; W304-L347 HydrophobicContact CZ2-CD2 3.89Å; W304-L347 HydrophobicContact CZ3-CD2 4.26Å; E343-L347 WeakPolarHBondContact O-CB 3.35Å; E343-L347 PolarHBondContact O-N 2.78Å; V344-L347 WeakPolarHBondContact O-CB 3.41Å; V344-L347 PolarHBondContact O-N 2.9Å; V344-L347 VanDerWaalsContact O-N 3.16Å; L347-W350 HydrophobicContact CD1-CE3 4.1Å; L347-W350 HydrophobicContact CD1-CZ3 4.26Å; L347-W350 PolarHBondContact O-N 3.25Å; L347-G351 PolarHBondContact O-N 3.07Å; L347-P408 HydrophobicContact CD2-CB 4.43Å; L347-I445 HydrophobicContact CD1-CD1 4.06Å; L347-I445 HydrophobicContact CD1-CG1 3.84Å; L347-V499 HydrophobicContact CD2-CG1 4.44Å; L347-M501 HydrophobicContact CD1-CE 3.7Å; L347-M501 HydrophobicContact CD2-CE 4.32Å; L347-M501 HydrophobicContact CG-CE 3.7Å; L347-Y602 WeakPolarHBondContact CA-OH 3.5Å; L347-Y602 HydrophobicContact CB-CD1 4.41Å; L347-Y602 HydrophobicContact CB-CE1 3.76Å; L347-Y602 HydrophobicContact CD1-CE2 4.25Å
348	L	95.1	Very high	91.8	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-44.9	-177.3	-63.7	176.7	0	0	0	111.2	V344 W350 G351 W352 T391 P393 F395 P408 M501	V344-L348 HydrophobicContact CG1-CD1 3.69Å; V344-L348 HydrophobicContact CG1-CG 4.23Å; V344-L348 WeakPolarHBondContact O-CG 3.16Å; V344-L348 PolarHBondContact O-N 3.1Å; L348-W350 VanDerWaalsContact C-N 3.34Å; L348-W350 PolarHBondContact O-N 3.37Å; L348-G351 PolarHBondContact O-N 3.45Å; L348-W352 WeakPolarHBondContact O-CB 3.48Å; L348-W352 PolarHBondContact O-N 2.82Å; L348-T391 HydrophobicContact CD2-CG2 4.02Å; L348-P393 HydrophobicContact CD1-CG 3.86Å; L348-P393 VanDerWaalsContact CD1-O 3.29Å; L348-P393 WeakPolarHBondContact CD1-O 3.46Å; L348-F395 HydrophobicContact CB-CD2 4.28Å; L348-F395 HydrophobicContact CD2-CB 4.37Å; L348-F395 HydrophobicContact CD2-CD2 3.79Å; L348-F395 WeakPolarHBondContact O-CE2 3.35Å; L348-P408 HydrophobicContact CD1-CG 4.24Å; L348-P408 HydrophobicContact CD2-CG 4Å; L348-P408 HydrophobicContact CG-CG 4.35Å; L348-M501 HydrophobicContact CD2-CG 4.45Å
349	K	94.7	Very high	93	Very high	123 Å²	123	35.8 Å²	35.8	54%	0.535	17%	0.174	S	C	.	.	H	α-helix	trans	-59.3	-44.2	175.7	178.2	163.7	177.4	45.3	0	112.2	N345 W352 D353	N345-K349 WeakPolarHBondContact O-CB 3.18Å; N345-K349 PolarHBondContact O-N 3.31Å; K349-W352 PolarHBondContact O-N 3.38Å; K349-D353 IonicContact NZ-OD1 2.71Å; K349-D353 PolarHBondContact NZ-OD1 3.27Å; K349-D353 IonicContact NZ-OD2 2.67Å; K349-D353 PolarHBondContact NZ-OD2 3.08Å; K349-D353 WeakPolarHBondContact O-CB 3.13Å; K349-D353 PolarHBondContact O-N 2.98Å
350	W	95.3	Very high	93.6	Very high	28 Å²	28	39.6 Å²	39.6	11%	0.106	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-50.1	176.5	160.8	73	0	0	0	111.3	R346 L347 L348 W352 D353 V354 I445 L448 A457 M501 Y594 L596 Q600	R346-W350 VanDerWaalsContact O-CB 3.25Å; R346-W350 WeakPolarHBondContact O-CB 3.32Å; R346-W350 PolarHBondContact O-N 3.02Å; L347-W350 HydrophobicContact CD1-CE3 4.1Å; L347-W350 HydrophobicContact CD1-CZ3 4.26Å; L347-W350 PolarHBondContact O-N 3.25Å; L348-W350 VanDerWaalsContact C-N 3.34Å; L348-W350 PolarHBondContact O-N 3.37Å; W350-W352 VanDerWaalsContact C-N 3.28Å; W350-W352 PolarHBondContact O-N 2.91Å; W350-D353 PolarHBondContact O-N 2.78Å; W350-V354 HydrophobicContact CZ2-CG2 4.48Å; W350-V354 WeakPolarHBondContact O-CB 3.29Å; W350-V354 VanDerWaalsContact O-CG2 3.32Å; W350-V354 WeakPolarHBondContact O-CG2 3.22Å; W350-V354 PolarHBondContact O-N 2.83Å; W350-I445 HydrophobicContact CE3-CG2 4.37Å; W350-I445 HydrophobicContact CH2-CG2 3.44Å; W350-I445 VanDerWaalsContact CH2-CG2 3.44Å; W350-I445 HydrophobicContact CZ2-CG2 4.25Å; W350-I445 HydrophobicContact CZ3-CG2 3.52Å; W350-L448 HydrophobicContact CH2-CB 4.45Å; W350-A457 HydrophobicContact CZ3-CB 4.2Å; W350-M501 HydrophobicContact CZ3-CE 4.27Å; W350-Y594 HydrophobicContact CZ2-CD1 4.2Å; W350-Y594 AromaticContact CZ2-CE1 3.95Å; W350-Y594 HydrophobicContact CZ2-CE1 3.95Å; W350-L596 HydrophobicContact CH2-CD1 4.45Å; W350-L596 HydrophobicContact CZ2-CD1 3.78Å; W350-L596 HydrophobicContact CZ2-CD2 4.19Å; W350-L596 HydrophobicContact CZ2-CG 4.11Å; W350-Q600 VanDerWaalsContact CE2-NE2 3.31Å
351	G	96.6	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-35.9	-179.2	0	0	0	0	0	112.1	L347 L348 L355 F395	L347-G351 PolarHBondContact O-N 3.07Å; L348-G351 PolarHBondContact O-N 3.45Å; G351-L355 WeakPolarHBondContact O-CB 3.36Å; G351-L355 PolarHBondContact O-N 3.34Å; G351-F395 VanDerWaalsContact C-CE2 3.47Å
352	W	96.6	Very high	94.6	Very high	27 Å²	27	45.1 Å²	45.1	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-50.4	174.7	-175.7	-112.5	0	0	0	113	L348 K349 W350 V354 L355 N356 I384 F395 T397 L399	L348-W352 WeakPolarHBondContact O-CB 3.48Å; L348-W352 PolarHBondContact O-N 2.82Å; K349-W352 PolarHBondContact O-N 3.38Å; W350-W352 VanDerWaalsContact C-N 3.28Å; W350-W352 PolarHBondContact O-N 2.91Å; W352-V354 VanDerWaalsContact C-N 3.27Å; W352-V354 PolarHBondContact O-N 3.14Å; W352-L355 HydrophobicContact CE3-CD2 4.22Å; W352-L355 HydrophobicContact CZ3-CD2 4.17Å; W352-L355 PolarHBondContact O-N 2.79Å; W352-N356 PolarHBondContact NE1-ND2 2.93Å; W352-N356 PolarHBondContact O-N 3.03Å; W352-N356 PolarHBondContact O-ND2 2.84Å; W352-I384 HydrophobicContact CH2-CD1 4.25Å; W352-I384 HydrophobicContact CH2-CG2 3.69Å; W352-I384 HydrophobicContact CZ3-CG2 4.04Å; W352-F395 WeakPolarHBondContact CB-O 3.29Å; W352-F395 HydrophobicContact CE3-CD1 4.43Å; W352-F395 HydrophobicContact CE3-CE1 4.5Å; W352-T397 WeakPolarHBondContact CH2-O 3.46Å; W352-T397 WeakPolarHBondContact CZ2-O 3.42Å; W352-L399 HydrophobicContact CE3-CD1 4.42Å; W352-L399 HydrophobicContact CH2-CD1 4.28Å; W352-L399 HydrophobicContact CH2-CG 3.97Å; W352-L399 HydrophobicContact CZ3-CD1 3.61Å; W352-L399 HydrophobicContact CZ3-CG 3.82Å
353	D	96	Very high	95	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-38.6	-179.3	-66.5	-14.4	0	0	0	110.1	K349 W350 T357	K349-D353 IonicContact NZ-OD1 2.71Å; K349-D353 PolarHBondContact NZ-OD1 3.27Å; K349-D353 IonicContact NZ-OD2 2.67Å; K349-D353 PolarHBondContact NZ-OD2 3.08Å; K349-D353 WeakPolarHBondContact O-CB 3.13Å; K349-D353 PolarHBondContact O-N 2.98Å; W350-D353 PolarHBondContact O-N 2.78Å; D353-T357 WeakPolarHBondContact O-CB 3.32Å; D353-T357 PolarHBondContact O-N 2.84Å; D353-T357 VanDerWaalsContact O-N 3.16Å; D353-T357 PolarHBondContact O-OG1 3.36Å
354	V	96.3	Very high	95.3	Very high	12 Å²	12	42 Å²	42	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-46.4	174.5	168	0	0	0	0	111.9	W350 W352 N356 T357 I358 L448 I535 Y594	W350-V354 HydrophobicContact CZ2-CG2 4.48Å; W350-V354 WeakPolarHBondContact O-CB 3.29Å; W350-V354 VanDerWaalsContact O-CG2 3.32Å; W350-V354 WeakPolarHBondContact O-CG2 3.22Å; W350-V354 PolarHBondContact O-N 2.83Å; W352-V354 VanDerWaalsContact C-N 3.27Å; W352-V354 PolarHBondContact O-N 3.14Å; V354-N356 PolarHBondContact O-N 3.15Å; V354-T357 PolarHBondContact O-N 3.48Å; V354-I358 HydrophobicContact CG1-CD1 3.61Å; V354-I358 HydrophobicContact CG1-CG1 4.37Å; V354-I358 VanDerWaalsContact O-CG1 3.31Å; V354-I358 WeakPolarHBondContact O-CG1 3.05Å; V354-I358 PolarHBondContact O-N 3.45Å; V354-L448 HydrophobicContact CG1-CD2 4.08Å; V354-I535 HydrophobicContact CG1-CD1 4.49Å; V354-Y594 HydrophobicContact CG1-CD1 3.51Å; V354-Y594 HydrophobicContact CG1-CE1 3.83Å; V354-Y594 HydrophobicContact CG1-CG 3.88Å; V354-Y594 HydrophobicContact CG2-CD1 4.32Å; V354-Y594 HydrophobicContact CG2-CE1 3.8Å
355	L	96.7	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-51.1	179.1	177.5	69.1	0	0	0	111.3	G351 W352 T357 I358 I359 F395 I450 I455	G351-L355 WeakPolarHBondContact O-CB 3.36Å; G351-L355 PolarHBondContact O-N 3.34Å; W352-L355 HydrophobicContact CE3-CD2 4.22Å; W352-L355 HydrophobicContact CZ3-CD2 4.17Å; W352-L355 PolarHBondContact O-N 2.79Å; L355-T357 VanDerWaalsContact C-N 3.34Å; L355-T357 PolarHBondContact O-N 3.44Å; L355-I358 PolarHBondContact O-N 3.13Å; L355-I358 VanDerWaalsContact O-N 3.16Å; L355-I359 HydrophobicContact CD1-CD1 3.77Å; L355-I359 HydrophobicContact CD1-CG1 4.24Å; L355-I359 HydrophobicContact CD2-CD1 4.41Å; L355-I359 HydrophobicContact CG-CD1 3.78Å; L355-I359 HydrophobicContact CG-CG1 4.48Å; L355-I359 WeakPolarHBondContact O-CG1 3.22Å; L355-I359 PolarHBondContact O-N 2.89Å; L355-F395 HydrophobicContact CD2-CE1 4.08Å; L355-I450 HydrophobicContact CD1-CD1 3.69Å; L355-I450 HydrophobicContact CD1-CG1 4.02Å; L355-I450 HydrophobicContact CD1-CG2 4.32Å; L355-I455 HydrophobicContact CD1-CD1 3.68Å; L355-I455 HydrophobicContact CD1-CG1 4.43Å; L355-I455 HydrophobicContact CD2-CD1 3.67Å; L355-I455 HydrophobicContact CG-CD1 4.33Å
356	N	96	Very high	95.8	Very high	31 Å²	31	46.5 Å²	46.5	17%	0.166	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-47.4	178.6	-78.6	-83.9	0	0	0	111.1	W352 V354 I358 I359 E360 I384	W352-N356 PolarHBondContact NE1-ND2 2.93Å; W352-N356 PolarHBondContact O-N 3.03Å; W352-N356 PolarHBondContact O-ND2 2.84Å; V354-N356 PolarHBondContact O-N 3.15Å; N356-I358 VanDerWaalsContact C-N 3.27Å; N356-I358 PolarHBondContact O-N 3.46Å; N356-I359 PolarHBondContact O-N 3.26Å; N356-E360 WeakPolarHBondContact O-CB 3.16Å; N356-E360 WeakPolarHBondContact O-CG 3.3Å; N356-E360 PolarHBondContact O-N 2.85Å; N356-I384 WeakPolarHBondContact OD1-CD1 3.43Å
357	T	96.8	Very high	96	Very high	57 Å²	57	42.5 Å²	42.5	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-38.9	177.8	-55.5	0	0	0	0	112.2	D353 V354 L355 I535	D353-T357 WeakPolarHBondContact O-CB 3.32Å; D353-T357 PolarHBondContact O-N 2.84Å; D353-T357 VanDerWaalsContact O-N 3.16Å; D353-T357 PolarHBondContact O-OG1 3.36Å; V354-T357 PolarHBondContact O-N 3.48Å; L355-T357 VanDerWaalsContact C-N 3.34Å; L355-T357 PolarHBondContact O-N 3.44Å; T357-I535 HydrophobicContact CG2-CB 4.18Å; T357-I535 HydrophobicContact CG2-CD1 4.19Å; T357-I535 HydrophobicContact CG2-CG2 4.12Å
358	I	97.3	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.8	-43.2	179.5	-70.1	169.7	0	0	0	111.2	V354 L355 N356 E360 L361 V364 I450 I535 V540 Y594	V354-I358 HydrophobicContact CG1-CD1 3.61Å; V354-I358 HydrophobicContact CG1-CG1 4.37Å; V354-I358 VanDerWaalsContact O-CG1 3.31Å; V354-I358 WeakPolarHBondContact O-CG1 3.05Å; V354-I358 PolarHBondContact O-N 3.45Å; L355-I358 PolarHBondContact O-N 3.13Å; L355-I358 VanDerWaalsContact O-N 3.16Å; N356-I358 VanDerWaalsContact C-N 3.27Å; N356-I358 PolarHBondContact O-N 3.46Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-E360 PolarHBondContact O-N 3.43Å; I358-L361 WeakPolarHBondContact O-CB 3.48Å; I358-L361 PolarHBondContact O-N 3.03Å; I358-V364 HydrophobicContact CG2-CG1 3.95Å; I358-V364 WeakPolarHBondContact O-CB 3.4Å; I358-V364 WeakPolarHBondContact O-CG1 3.49Å; I358-I450 HydrophobicContact CB-CD1 4.28Å; I358-I450 HydrophobicContact CD1-CD1 3.73Å; I358-I450 HydrophobicContact CG2-CD1 3.95Å; I358-I535 HydrophobicContact CD1-CD1 4.25Å; I358-I535 HydrophobicContact CG1-CD1 3.78Å; I358-V540 HydrophobicContact CD1-CG2 4.08Å; I358-V540 HydrophobicContact CG1-CG2 3.82Å; I358-V540 HydrophobicContact CG2-CG1 4.42Å; I358-Y594 HydrophobicContact CD1-CG 4.3Å
359	I	96.8	Very high	96.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-32.2	179.1	-64.7	173.3	0	0	0	111	L355 N356 L361 H365 L368 V380 V383 I384 W387	L355-I359 HydrophobicContact CD1-CD1 3.77Å; L355-I359 HydrophobicContact CD1-CG1 4.24Å; L355-I359 HydrophobicContact CD2-CD1 4.41Å; L355-I359 HydrophobicContact CG-CD1 3.78Å; L355-I359 HydrophobicContact CG-CG1 4.48Å; L355-I359 WeakPolarHBondContact O-CG1 3.22Å; L355-I359 PolarHBondContact O-N 2.89Å; N356-I359 PolarHBondContact O-N 3.26Å; I359-L361 PolarHBondContact O-N 3.04Å; I359-H365 WeakPolarHBondContact O-CB 3.27Å; I359-L368 HydrophobicContact CG1-CD1 3.91Å; I359-V380 HydrophobicContact CB-CG1 4.34Å; I359-V380 HydrophobicContact CG2-CB 4.35Å; I359-V380 HydrophobicContact CG2-CG1 3.85Å; I359-V380 HydrophobicContact CG2-CG2 4.28Å; I359-V383 HydrophobicContact CD1-CG1 4.35Å; I359-V383 HydrophobicContact CG2-CB 4.18Å; I359-V383 HydrophobicContact CG2-CG1 3.95Å; I359-I384 HydrophobicContact CD1-CD1 4.22Å; I359-I384 HydrophobicContact CD1-CG1 3.5Å; I359-W387 HydrophobicContact CD1-CZ3 4.1Å
360	E	96.8	Very high	96.1	Very high	124 Å²	124	40.4 Å²	40.4	58%	0.579	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16	175.5	-77.3	176.4	-179.2	0	0	114	N356 I358 P362 V380	N356-E360 WeakPolarHBondContact O-CB 3.16Å; N356-E360 WeakPolarHBondContact O-CG 3.3Å; N356-E360 PolarHBondContact O-N 2.85Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-E360 PolarHBondContact O-N 3.43Å; E360-P362 WeakPolarHBondContact O-CD 3.44Å; E360-V380 HydrophobicContact CG-CG2 3.98Å
361	L	96.9	Very high	95.9	Very high	39 Å²	39	42.5 Å²	42.5	20%	0.204	24%	0.237	C	C	.	.	S	Bend	trans	-66	120.1	175.1	-63.7	172.8	0	0	0	109.3	I358 I359 G363 V364 H365 V532 A533 I535	I358-L361 WeakPolarHBondContact O-CB 3.48Å; I358-L361 PolarHBondContact O-N 3.03Å; I359-L361 PolarHBondContact O-N 3.04Å; L361-G363 VanDerWaalsContact C-N 3.28Å; L361-G363 PolarHBondContact O-N 3.1Å; L361-V364 HydrophobicContact CB-CB 4.09Å; L361-V364 HydrophobicContact CB-CG2 3.9Å; L361-V364 HydrophobicContact CD1-CG2 4.16Å; L361-V364 WeakPolarHBondContact O-CB 3.49Å; L361-V364 PolarHBondContact O-N 2.81Å; L361-H365 PolarHBondContact O-N 3.1Å; L361-V532 HydrophobicContact CD1-CG1 4.41Å; L361-A533 HydrophobicContact CD1-CB 3.65Å; L361-A533 HydrophobicContact CD2-CB 4.06Å; L361-I535 HydrophobicContact CD1-CG2 4.47Å
362	P	93.8	Very high	95.8	Very high	107 Å²	107	44.2 Å²	44.2	70%	0.695	25%	0.245	S	C	*	.	H	α-helix	trans	-55	-38	-168.5	-29.9	35.1	0	0	0	115.1	E360 Y366	E360-P362 WeakPolarHBondContact O-CD 3.44Å; P362-Y366 WeakPolarHBondContact O-CB 3.48Å; P362-Y366 PolarHBondContact O-N 3.46Å; P362-Y366 VanDerWaalsContact O-N 3.1Å
363	G	93.9	Very high	95.7	Very high	42 Å²	42	46.2 Å²	46.2	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-69.2	-39.2	177.2	0	0	0	0	0	113.2	L361 E367	L361-G363 VanDerWaalsContact C-N 3.28Å; L361-G363 PolarHBondContact O-N 3.1Å; G363-E367 WeakPolarHBondContact O-CB 3.41Å; G363-E367 VanDerWaalsContact O-CG 3.31Å; G363-E367 WeakPolarHBondContact O-CG 3.18Å; G363-E367 PolarHBondContact O-N 3.3Å; G363-E367 VanDerWaalsContact O-N 3.09Å
364	V	96.8	Very high	95.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-45.9	176.7	176.8	0	0	0	0	110.1	I358 L361 Y366 E367 L368 V532 Y592	I358-V364 HydrophobicContact CG2-CG1 3.95Å; I358-V364 WeakPolarHBondContact O-CB 3.4Å; I358-V364 WeakPolarHBondContact O-CG1 3.49Å; L361-V364 HydrophobicContact CB-CB 4.09Å; L361-V364 HydrophobicContact CB-CG2 3.9Å; L361-V364 HydrophobicContact CD1-CG2 4.16Å; L361-V364 WeakPolarHBondContact O-CB 3.49Å; L361-V364 PolarHBondContact O-N 2.81Å; V364-Y366 VanDerWaalsContact C-N 3.35Å; V364-Y366 PolarHBondContact O-N 3.05Å; V364-E367 PolarHBondContact O-N 3.41Å; V364-L368 HydrophobicContact CG1-CD1 3.82Å; V364-L368 HydrophobicContact CG1-CG 4.28Å; V364-L368 WeakPolarHBondContact O-CB 3.06Å; V364-L368 WeakPolarHBondContact O-CG 3.4Å; V364-L368 PolarHBondContact O-N 3.37Å; V364-V532 HydrophobicContact CG2-CG1 3.96Å; V364-Y592 HydrophobicContact CB-CE1 4.31Å; V364-Y592 HydrophobicContact CG1-CD1 4.45Å; V364-Y592 HydrophobicContact CG1-CD2 4.2Å; V364-Y592 HydrophobicContact CG1-CE1 4.06Å; V364-Y592 HydrophobicContact CG1-CE2 3.76Å; V364-Y592 HydrophobicContact CG2-CD1 4.18Å; V364-Y592 HydrophobicContact CG2-CE1 3.72Å
365	H	96.9	Very high	95.8	Very high	39 Å²	39	48.4 Å²	48.4	18%	0.181	29%	0.289	C	S	.	.	H	α-helix	trans	-53.5	-52	176.9	-166.2	-125.2	0	0	0	111.7	I359 L361 E367 L368 I369 A378 V380	I359-H365 WeakPolarHBondContact O-CB 3.27Å; L361-H365 PolarHBondContact O-N 3.1Å; H365-E367 PolarHBondContact O-N 2.86Å; H365-L368 PolarHBondContact O-N 3.15Å; H365-I369 WeakPolarHBondContact O-CG1 3.21Å; H365-I369 PolarHBondContact O-N 3.04Å; H365-A378 PolarHBondContact CE1-O 2.91Å; H365-A378 PolarHBondContact NE2-O 2.61Å; H365-V380 PolarHBondContact NE2-N 3.27Å
366	Y	96.1	Very high	95.6	Very high	132 Å²	132	53.7 Å²	53.7	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-42.7	179.8	179.8	-97.1	0	0	0	112.5	P362 V364 N370	P362-Y366 WeakPolarHBondContact O-CB 3.48Å; P362-Y366 PolarHBondContact O-N 3.46Å; P362-Y366 VanDerWaalsContact O-N 3.1Å; V364-Y366 VanDerWaalsContact C-N 3.35Å; V364-Y366 PolarHBondContact O-N 3.05Å; Y366-N370 WeakPolarHBondContact CD1-ND2 3.28Å; Y366-N370 WeakPolarHBondContact CE1-ND2 2.99Å; Y366-N370 PolarHBondContact O-N 3Å; Y366-N370 VanDerWaalsContact O-N 3.14Å; Y366-N370 PolarHBondContact O-ND2 3.27Å
367	E	95.2	Very high	95.6	Very high	52 Å²	52	58.8 Å²	58.8	24%	0.243	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-40.9	176.5	-78.4	175.5	-160.8	0	0	111.9	G363 V364 H365 N370 A371 R542 Y592	G363-E367 WeakPolarHBondContact O-CB 3.41Å; G363-E367 VanDerWaalsContact O-CG 3.31Å; G363-E367 WeakPolarHBondContact O-CG 3.18Å; G363-E367 PolarHBondContact O-N 3.3Å; G363-E367 VanDerWaalsContact O-N 3.09Å; V364-E367 PolarHBondContact O-N 3.41Å; H365-E367 PolarHBondContact O-N 2.86Å; E367-N370 PolarHBondContact O-N 3.4Å; E367-A371 WeakPolarHBondContact O-CB 3.33Å; E367-A371 PolarHBondContact O-N 3.1Å; E367-R542 IonicContact OE1-CZ 2.73Å; E367-R542 IonicContact OE1-NE 2.7Å; E367-R542 IonicContact OE1-NH1 3.66Å; E367-R542 PolarHBondContact OE1-NH1 3.19Å; E367-R542 WeakPolarHBondContact OE2-CD 3.37Å; E367-R542 IonicContact OE2-NH1 3.29Å; E367-Y592 WeakPolarHBondContact CB-OH 3.39Å; E367-Y592 PolarHBondContact OE2-OH 3.29Å
368	L	96.2	Very high	95.6	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-68.9	-43	177.3	-70.2	174	0	0	0	112.6	I359 V364 H365 N370 A371 F372 V383 W387 Y592	I359-L368 HydrophobicContact CG1-CD1 3.91Å; V364-L368 HydrophobicContact CG1-CD1 3.82Å; V364-L368 HydrophobicContact CG1-CG 4.28Å; V364-L368 WeakPolarHBondContact O-CB 3.06Å; V364-L368 WeakPolarHBondContact O-CG 3.4Å; V364-L368 PolarHBondContact O-N 3.37Å; H365-L368 PolarHBondContact O-N 3.15Å; L368-N370 VanDerWaalsContact C-N 3.28Å; L368-N370 PolarHBondContact O-N 3.49Å; L368-A371 PolarHBondContact O-N 3.22Å; L368-F372 HydrophobicContact CB-CD2 4.46Å; L368-F372 HydrophobicContact CB-CE2 4.14Å; L368-F372 HydrophobicContact CD2-CE2 4.09Å; L368-F372 HydrophobicContact CD2-CZ 3.8Å; L368-F372 WeakPolarHBondContact O-CB 3.38Å; L368-F372 WeakPolarHBondContact O-CD2 3.39Å; L368-F372 VanDerWaalsContact O-CG 3.27Å; L368-F372 WeakPolarHBondContact O-CG 3.43Å; L368-F372 PolarHBondContact O-N 3.08Å; L368-V383 HydrophobicContact CB-CG1 3.78Å; L368-V383 HydrophobicContact CD1-CG1 3.84Å; L368-V383 HydrophobicContact CG-CG1 4.42Å; L368-W387 HydrophobicContact CD1-CH2 4.43Å; L368-W387 HydrophobicContact CD2-CH2 4.37Å; L368-Y592 HydrophobicContact CD2-CE2 3.98Å; L368-Y592 HydrophobicContact CG-CE2 4.16Å
369	I	96.4	Very high	95.5	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-53.4	-48.6	173.8	-76.3	175.1	0	0	0	110.4	H365 F372 G373 L374 P375 A378 V383	H365-I369 WeakPolarHBondContact O-CG1 3.21Å; H365-I369 PolarHBondContact O-N 3.04Å; I369-F372 PolarHBondContact O-N 2.89Å; I369-G373 PolarHBondContact O-N 3.12Å; I369-L374 HydrophobicContact CG2-CB 4.12Å; I369-L374 WeakPolarHBondContact CG2-O 3.47Å; I369-L374 PolarHBondContact O-N 2.92Å; I369-P375 VanDerWaalsContact CG2-O 3.31Å; I369-P375 WeakPolarHBondContact CG2-O 3.48Å; I369-A378 HydrophobicContact CD1-CB 3.99Å; I369-A378 HydrophobicContact CG1-CB 4.09Å; I369-V383 HydrophobicContact CG1-CG2 3.79Å
370	N	94.2	Very high	95.3	Very high	74 Å²	74	61.5 Å²	61.5	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-67.1	-40.2	179.3	-69.6	-40.3	0	0	0	112.3	Y366 E367 L368 F372 G373 Q376	Y366-N370 WeakPolarHBondContact CD1-ND2 3.28Å; Y366-N370 WeakPolarHBondContact CE1-ND2 2.99Å; Y366-N370 PolarHBondContact O-N 3Å; Y366-N370 VanDerWaalsContact O-N 3.14Å; Y366-N370 PolarHBondContact O-ND2 3.27Å; E367-N370 PolarHBondContact O-N 3.4Å; L368-N370 VanDerWaalsContact C-N 3.28Å; L368-N370 PolarHBondContact O-N 3.49Å; N370-F372 VanDerWaalsContact C-N 3.28Å; N370-F372 PolarHBondContact O-N 3.46Å; N370-G373 PolarHBondContact O-N 3.33Å; N370-Q376 PolarHBondContact OD1-NE2 3.49Å
371	A	92.4	Very high	95.2	Very high	72 Å²	72	59.2 Å²	59.2	60%	0.595	35%	0.348	S	S	*	.	H	α-helix	trans	-64.6	-32.4	178.1	0	0	0	0	0	112.7	E367 L368	E367-A371 WeakPolarHBondContact O-CB 3.33Å; E367-A371 PolarHBondContact O-N 3.1Å; L368-A371 PolarHBondContact O-N 3.22Å
372	F	94.6	Very high	95.1	Very high	35 Å²	35	60.7 Å²	60.7	15%	0.154	36%	0.356	C	S	.	.	H	α-helix	trans	-94.4	-3	-179.1	-58.3	-22	0	0	0	113.7	L368 I369 N370 L374 V383 H386 W387	L368-F372 HydrophobicContact CB-CD2 4.46Å; L368-F372 HydrophobicContact CB-CE2 4.14Å; L368-F372 HydrophobicContact CD2-CE2 4.09Å; L368-F372 HydrophobicContact CD2-CZ 3.8Å; L368-F372 WeakPolarHBondContact O-CB 3.38Å; L368-F372 WeakPolarHBondContact O-CD2 3.39Å; L368-F372 VanDerWaalsContact O-CG 3.27Å; L368-F372 WeakPolarHBondContact O-CG 3.43Å; L368-F372 PolarHBondContact O-N 3.08Å; I369-F372 PolarHBondContact O-N 2.89Å; N370-F372 VanDerWaalsContact C-N 3.28Å; N370-F372 PolarHBondContact O-N 3.46Å; F372-L374 VanDerWaalsContact C-N 3.27Å; F372-L374 HydrophobicContact CB-CD1 3.96Å; F372-L374 HydrophobicContact CB-CG 3.83Å; F372-L374 HydrophobicContact CD2-CD1 4.19Å; F372-L374 PolarHBondContact O-N 2.88Å; F372-V383 HydrophobicContact CD2-CG1 4.14Å; F372-V383 HydrophobicContact CE2-CG1 3.83Å; F372-H386 AromaticContact CD1-CD2 3.94Å; F372-H386 AromaticContact CD1-CE1 3.75Å; F372-H386 AromaticContact CD1-ND1 3.92Å; F372-H386 AromaticContact CD1-NE2 3.76Å; F372-H386 HydrophobicContact CD2-CB 3.88Å; F372-H386 AromaticContact CD2-CG 3.87Å; F372-H386 AromaticContact CE1-CD2 3.53Å; F372-H386 AromaticContact CE1-CE1 3.97Å; F372-H386 AromaticContact CE1-NE2 3.5Å; F372-H386 WeakPolarHBondContact CE1-NE2 3.4Å; F372-H386 HydrophobicContact CE2-CB 3.88Å; F372-H386 AromaticContact CE2-CD2 3.84Å; F372-H386 AromaticContact CE2-CG 3.86Å; F372-H386 HydrophobicContact CG-CB 4.39Å; F372-H386 AromaticContact CG-CG 3.96Å; F372-H386 AromaticContact CG-ND1 3.95Å; F372-H386 HydrophobicContact CZ-CB 4.42Å; F372-H386 AromaticContact CZ-CD2 3.48Å; F372-H386 VanDerWaalsContact CZ-CD2 3.48Å; F372-H386 WeakPolarHBondContact CZ-CD2 3.37Å; F372-H386 AromaticContact CZ-CG 3.95Å; F372-H386 AromaticContact CZ-NE2 3.95Å; F372-W387 AromaticContact CE2-CH2 3.62Å; F372-W387 HydrophobicContact CE2-CH2 3.62Å; F372-W387 HydrophobicContact CE2-CZ2 4.08Å; F372-W387 AromaticContact CE2-CZ3 3.97Å; F372-W387 HydrophobicContact CE2-CZ3 3.97Å; F372-W387 AromaticContact CZ-CH2 3.54Å; F372-W387 HydrophobicContact CZ-CH2 3.54Å; F372-W387 AromaticContact CZ-CZ2 3.54Å; F372-W387 HydrophobicContact CZ-CZ2 3.54Å; F372-W387 HydrophobicContact CZ-CZ3 4.27Å
373	G	94.6	Very high	95.2	Very high	69 Å²	69	55.6 Å²	55.6	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	30.9	-177.9	0	0	0	0	0	113.1	I369 N370	I369-G373 PolarHBondContact O-N 3.12Å; N370-G373 PolarHBondContact O-N 3.33Å
374	L	96	Very high	95.2	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.246	30%	0.302	C	S	.	.			trans	-82.9	157.7	179.4	-64	173.6	0	0	0	111.3	I369 F372 A378 V383	I369-L374 HydrophobicContact CG2-CB 4.12Å; I369-L374 WeakPolarHBondContact CG2-O 3.47Å; I369-L374 PolarHBondContact O-N 2.92Å; F372-L374 VanDerWaalsContact C-N 3.27Å; F372-L374 HydrophobicContact CB-CD1 3.96Å; F372-L374 HydrophobicContact CB-CG 3.83Å; F372-L374 HydrophobicContact CD2-CD1 4.19Å; F372-L374 PolarHBondContact O-N 2.88Å; L374-A378 HydrophobicContact CB-CB 3.91Å; L374-A378 HydrophobicContact CD1-CB 4.42Å; L374-V383 HydrophobicContact CD1-CG2 4Å
375	P	96.8	Very high	95.1	Very high	81 Å²	81	57.2 Å²	57.2	53%	0.526	33%	0.328	S	S	.	.			trans	-55.8	148.6	169	-24.9	35.7	0	0	0	112.2	I369 D377 A378	I369-P375 VanDerWaalsContact CG2-O 3.31Å; I369-P375 WeakPolarHBondContact CG2-O 3.48Å; P375-D377 WeakPolarHBondContact CB-OD1 3.38Å; P375-D377 PolarHBondContact O-N 3.41Å; P375-A378 WeakPolarHBondContact O-CB 3.35Å; P375-A378 PolarHBondContact O-N 2.75Å
376	Q	94	Very high	95	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.5	-177.1	-65.7	-62.8	-47.1	0	0	113.8	N370	N370-Q376 PolarHBondContact OD1-NE2 3.49Å
377	D	95.2	Very high	95	Very high	137 Å²	137	52.1 Å²	52.1	73%	0.733	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	6.8	174.4	63.7	-30.8	0	0	0	113.2	P375 T379	P375-D377 WeakPolarHBondContact CB-OD1 3.38Å; P375-D377 PolarHBondContact O-N 3.41Å; D377-T379 PolarHBondContact O-N 2.79Å
378	A	96.2	Very high	95.1	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	30%	0.3	C	S	.	.			trans	-54.8	138.2	175.3	0	0	0	0	0	110.8	H365 I369 L374 P375 D382	H365-A378 PolarHBondContact CE1-O 2.91Å; H365-A378 PolarHBondContact NE2-O 2.61Å; I369-A378 HydrophobicContact CD1-CB 3.99Å; I369-A378 HydrophobicContact CG1-CB 4.09Å; L374-A378 HydrophobicContact CB-CB 3.91Å; L374-A378 HydrophobicContact CD1-CB 4.42Å; P375-A378 WeakPolarHBondContact O-CB 3.35Å; P375-A378 PolarHBondContact O-N 2.75Å; A378-D382 HydrophobicContact CB-CB 3.96Å
379	T	95.6	Very high	95.2	Very high	73 Å²	73	49.8 Å²	49.8	45%	0.448	30%	0.297	S	S	.	.			trans	-83	168.5	-180	67.6	0	0	0	0	111.3	D377 Q381 D382 V383	D377-T379 PolarHBondContact O-N 2.79Å; T379-Q381 PolarHBondContact O-N 2.83Å; T379-Q381 PolarHBondContact OG1-N 3.45Å; T379-D382 WeakPolarHBondContact CB-OD2 3.38Å; T379-D382 PolarHBondContact N-OD2 2.81Å; T379-D382 WeakPolarHBondContact O-CB 3.36Å; T379-D382 PolarHBondContact O-N 2.82Å; T379-D382 VanDerWaalsContact OG1-CG 3.31Å; T379-D382 PolarHBondContact OG1-N 2.99Å; T379-D382 PolarHBondContact OG1-OD2 3.46Å; T379-V383 PolarHBondContact O-N 2.85Å; T379-V383 VanDerWaalsContact O-N 3.12Å
380	V	93.6	Very high	95.2	Very high	35 Å²	35	49.9 Å²	49.9	21%	0.212	30%	0.299	C	S	.	.	H	α-helix	trans	-53.3	-37.9	170.3	173.4	0	0	0	0	111.2	I359 E360 H365 V383 I384	I359-V380 HydrophobicContact CB-CG1 4.34Å; I359-V380 HydrophobicContact CG2-CB 4.35Å; I359-V380 HydrophobicContact CG2-CG1 3.85Å; I359-V380 HydrophobicContact CG2-CG2 4.28Å; E360-V380 HydrophobicContact CG-CG2 3.98Å; H365-V380 PolarHBondContact NE2-N 3.27Å; V380-V383 PolarHBondContact O-N 3.05Å; V380-I384 HydrophobicContact CG1-CD1 3.69Å; V380-I384 HydrophobicContact CG1-CG1 4.32Å; V380-I384 WeakPolarHBondContact O-CB 3.46Å; V380-I384 VanDerWaalsContact O-CG1 3.27Å; V380-I384 WeakPolarHBondContact O-CG1 3.33Å; V380-I384 PolarHBondContact O-N 2.93Å
381	Q	93.5	Very high	95.2	Very high	76 Å²	76	46.4 Å²	46.4	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-38.8	178.8	-171.6	60.4	30.8	0	0	112.2	T379 V383 I384 S385	T379-Q381 PolarHBondContact O-N 2.83Å; T379-Q381 PolarHBondContact OG1-N 3.45Å; Q381-V383 VanDerWaalsContact C-N 3.33Å; Q381-I384 PolarHBondContact O-N 3.2Å; Q381-S385 WeakPolarHBondContact O-CB 3.32Å; Q381-S385 PolarHBondContact O-N 2.8Å
382	D	95	Very high	95.1	Very high	69 Å²	69	45.6 Å²	45.6	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-63.1	-42.6	176.3	-61	-53.8	0	0	0	110.5	A378 T379 S385	A378-D382 HydrophobicContact CB-CB 3.96Å; T379-D382 WeakPolarHBondContact CB-OD2 3.38Å; T379-D382 PolarHBondContact N-OD2 2.81Å; T379-D382 WeakPolarHBondContact O-CB 3.36Å; T379-D382 PolarHBondContact O-N 2.82Å; T379-D382 VanDerWaalsContact OG1-CG 3.31Å; T379-D382 PolarHBondContact OG1-N 2.99Å; T379-D382 PolarHBondContact OG1-OD2 3.46Å; D382-S385 PolarHBondContact O-N 2.76Å; D382-S385 PolarHBondContact O-OG 3.01Å
383	V	95.6	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-46.3	174.9	177.8	0	0	0	0	111.5	I359 L368 I369 F372 L374 T379 V380 Q381 S385 H386 W387	I359-V383 HydrophobicContact CD1-CG1 4.35Å; I359-V383 HydrophobicContact CG2-CB 4.18Å; I359-V383 HydrophobicContact CG2-CG1 3.95Å; L368-V383 HydrophobicContact CB-CG1 3.78Å; L368-V383 HydrophobicContact CD1-CG1 3.84Å; L368-V383 HydrophobicContact CG-CG1 4.42Å; I369-V383 HydrophobicContact CG1-CG2 3.79Å; F372-V383 HydrophobicContact CD2-CG1 4.14Å; F372-V383 HydrophobicContact CE2-CG1 3.83Å; L374-V383 HydrophobicContact CD1-CG2 4Å; T379-V383 PolarHBondContact O-N 2.85Å; T379-V383 VanDerWaalsContact O-N 3.12Å; V380-V383 PolarHBondContact O-N 3.05Å; Q381-V383 VanDerWaalsContact C-N 3.33Å; V383-S385 VanDerWaalsContact C-N 3.29Å; V383-S385 PolarHBondContact O-N 2.79Å; V383-H386 VanDerWaalsContact O-CB 3.23Å; V383-H386 WeakPolarHBondContact O-CB 3.23Å; V383-H386 PolarHBondContact O-N 3.12Å; V383-W387 HydrophobicContact CG1-CZ3 4.27Å; V383-W387 WeakPolarHBondContact O-CZ3 3.23Å
384	I	94.9	Very high	94.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-36.9	179.6	-75.8	174.1	0	0	0	111.7	W352 N356 I359 V380 Q381 H386 W387 L399	W352-I384 HydrophobicContact CH2-CD1 4.25Å; W352-I384 HydrophobicContact CH2-CG2 3.69Å; W352-I384 HydrophobicContact CZ3-CG2 4.04Å; N356-I384 WeakPolarHBondContact OD1-CD1 3.43Å; I359-I384 HydrophobicContact CD1-CD1 4.22Å; I359-I384 HydrophobicContact CD1-CG1 3.5Å; V380-I384 HydrophobicContact CG1-CD1 3.69Å; V380-I384 HydrophobicContact CG1-CG1 4.32Å; V380-I384 WeakPolarHBondContact O-CB 3.46Å; V380-I384 VanDerWaalsContact O-CG1 3.27Å; V380-I384 WeakPolarHBondContact O-CG1 3.33Å; V380-I384 PolarHBondContact O-N 2.93Å; Q381-I384 PolarHBondContact O-N 3.2Å; I384-H386 PolarHBondContact O-N 2.91Å; I384-W387 PolarHBondContact O-N 2.85Å; I384-W387 VanDerWaalsContact O-N 3.08Å; I384-L399 HydrophobicContact CG2-CD2 3.49Å; I384-L399 VanDerWaalsContact CG2-CD2 3.49Å; I384-L399 HydrophobicContact CG2-CG 4.18Å
385	S	94.4	Very high	94.8	Very high	77 Å²	77	44.6 Å²	44.6	54%	0.538	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12	-178.8	78.4	0	0	0	0	114.5	Q381 D382 V383 W387	Q381-S385 WeakPolarHBondContact O-CB 3.32Å; Q381-S385 PolarHBondContact O-N 2.8Å; D382-S385 PolarHBondContact O-N 2.76Å; D382-S385 PolarHBondContact O-OG 3.01Å; V383-S385 VanDerWaalsContact C-N 3.29Å; V383-S385 PolarHBondContact O-N 2.79Å; S385-W387 VanDerWaalsContact C-N 3.25Å; S385-W387 PolarHBondContact O-N 3.3Å
386	H	95.2	Very high	94.3	Very high	61 Å²	61	41.4 Å²	41.4	28%	0.282	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.6	171.5	179.8	73.6	0	0	0	112.7	F372 V383 I384 S452	F372-H386 AromaticContact CD1-CD2 3.94Å; F372-H386 AromaticContact CD1-CE1 3.75Å; F372-H386 AromaticContact CD1-ND1 3.92Å; F372-H386 AromaticContact CD1-NE2 3.76Å; F372-H386 HydrophobicContact CD2-CB 3.88Å; F372-H386 AromaticContact CD2-CG 3.87Å; F372-H386 AromaticContact CE1-CD2 3.53Å; F372-H386 AromaticContact CE1-CE1 3.97Å; F372-H386 AromaticContact CE1-NE2 3.5Å; F372-H386 WeakPolarHBondContact CE1-NE2 3.4Å; F372-H386 HydrophobicContact CE2-CB 3.88Å; F372-H386 AromaticContact CE2-CD2 3.84Å; F372-H386 AromaticContact CE2-CG 3.86Å; F372-H386 HydrophobicContact CG-CB 4.39Å; F372-H386 AromaticContact CG-CG 3.96Å; F372-H386 AromaticContact CG-ND1 3.95Å; F372-H386 HydrophobicContact CZ-CB 4.42Å; F372-H386 AromaticContact CZ-CD2 3.48Å; F372-H386 VanDerWaalsContact CZ-CD2 3.48Å; F372-H386 WeakPolarHBondContact CZ-CD2 3.37Å; F372-H386 AromaticContact CZ-CG 3.95Å; F372-H386 AromaticContact CZ-NE2 3.95Å; V383-H386 VanDerWaalsContact O-CB 3.23Å; V383-H386 WeakPolarHBondContact O-CB 3.23Å; V383-H386 PolarHBondContact O-N 3.12Å; I384-H386 PolarHBondContact O-N 2.91Å; H386-S452 PolarHBondContact NE2-O 2.9Å
387	W	96.7	Very high	93.9	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152.5	176.9	-58.2	-86.1	0	0	0	111.7	I359 L368 F372 V383 I384 S385 L399 I450 T451 I455 A502 L503	I359-W387 HydrophobicContact CD1-CZ3 4.1Å; L368-W387 HydrophobicContact CD1-CH2 4.43Å; L368-W387 HydrophobicContact CD2-CH2 4.37Å; F372-W387 AromaticContact CE2-CH2 3.62Å; F372-W387 HydrophobicContact CE2-CH2 3.62Å; F372-W387 HydrophobicContact CE2-CZ2 4.08Å; F372-W387 AromaticContact CE2-CZ3 3.97Å; F372-W387 HydrophobicContact CE2-CZ3 3.97Å; F372-W387 AromaticContact CZ-CH2 3.54Å; F372-W387 HydrophobicContact CZ-CH2 3.54Å; F372-W387 AromaticContact CZ-CZ2 3.54Å; F372-W387 HydrophobicContact CZ-CZ2 3.54Å; F372-W387 HydrophobicContact CZ-CZ3 4.27Å; V383-W387 HydrophobicContact CG1-CZ3 4.27Å; V383-W387 WeakPolarHBondContact O-CZ3 3.23Å; I384-W387 PolarHBondContact O-N 2.85Å; I384-W387 VanDerWaalsContact O-N 3.08Å; S385-W387 VanDerWaalsContact C-N 3.25Å; S385-W387 PolarHBondContact O-N 3.3Å; W387-L399 VanDerWaalsContact O-CD2 3.31Å; W387-L399 WeakPolarHBondContact O-CD2 3Å; W387-I450 HydrophobicContact CH2-CG2 4.29Å; W387-I450 HydrophobicContact CZ2-CG2 4.05Å; W387-T451 VanDerWaalsContact CZ2-O 3.31Å; W387-T451 WeakPolarHBondContact CZ2-O 3.47Å; W387-T451 PolarHBondContact NE1-O 2.89Å; W387-I455 HydrophobicContact CB-CD1 4.48Å; W387-I455 HydrophobicContact CD2-CD1 3.64Å; W387-I455 HydrophobicContact CD2-CG1 4.33Å; W387-I455 HydrophobicContact CE3-CD1 3.97Å; W387-I455 HydrophobicContact CG-CD1 3.89Å; W387-I455 HydrophobicContact CG-CG1 4.45Å; W387-I455 HydrophobicContact CZ2-CD1 4.29Å; W387-I455 HydrophobicContact CZ2-CG1 4.47Å; W387-I455 HydrophobicContact CZ3-CD1 4.44Å; W387-A502 HydrophobicContact CB-CB 4Å; W387-L503 CarbonylContact C-O 3.4Å
388	E	96.9	Very high	93.2	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.3	168.7	-61.6	-176.3	149	0	0	108.8	A390 K400 C402 A502 L503	E388-A390 PolarHBondContact O-N 3.46Å; E388-K400 CarbonylContact C-O 3.58Å; E388-K400 WeakPolarHBondContact CA-O 3.28Å; E388-K400 VanDerWaalsContact CB-O 3.29Å; E388-K400 WeakPolarHBondContact CB-O 3.11Å; E388-K400 WeakPolarHBondContact OE1-CE 3.42Å; E388-K400 IonicContact OE1-NZ 3.61Å; E388-K400 PolarHBondContact OE1-NZ 3.21Å; E388-C402 HydrophobicContact CB-CB 3.84Å; E388-C402 WeakPolarHBondContact OE2-CA 3.27Å; E388-C402 WeakPolarHBondContact OE2-CB 3.3Å; E388-A502 CarbonylContact O-C 3.56Å; E388-A502 VanDerWaalsContact O-CA 3.25Å; E388-A502 WeakPolarHBondContact O-CA 3.31Å; E388-A502 WeakPolarHBondContact O-CB 3.36Å; E388-L503 PolarHBondContact N-O 3.47Å; E388-L503 PolarHBondContact O-N 3.06Å
389	S	97.5	Very high	92.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.5	175.2	-172.9	0	0	0	0	111	T391 D394 F395 K400 C402	S389-T391 PolarHBondContact OG-N 3.42Å; S389-T391 PolarHBondContact OG-OG1 2.97Å; S389-D394 WeakPolarHBondContact OG-CA 3.28Å; S389-F395 PolarHBondContact OG-N 3.45Å; S389-K400 PolarHBondContact N-O 3.46Å; S389-C402 WeakPolarHBondContact O-CB 2.98Å; S389-C402 PolarHBondContact O-N 3.23Å; S389-C402 PolarHBondContact O-SG 3.47Å
390	A	96.8	Very high	92.8	Very high	6 Å²	6	43 Å²	43	5%	0.05	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-0.3	176.8	0	0	0	0	0	113	E388 P405 S406 T500 M501 L503	E388-A390 PolarHBondContact O-N 3.46Å; A390-P405 WeakPolarHBondContact O-CA 3.43Å; A390-S406 PolarHBondContact O-N 2.57Å; A390-T500 HydrophobicContact CB-CG2 3.9Å; A390-M501 PolarHBondContact N-O 2.62Å; A390-L503 HydrophobicContact CB-CD1 3.84Å; A390-L503 HydrophobicContact CB-CG 3.97Å
391	T	94.6	Very high	92.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	154	-168.4	60.8	0	0	0	0	113.3	L348 S389 P393 F395 S406 P408 T500	L348-T391 HydrophobicContact CD2-CG2 4.02Å; S389-T391 PolarHBondContact OG-N 3.42Å; S389-T391 PolarHBondContact OG-OG1 2.97Å; T391-P393 CarbonylContact C-O 3.55Å; T391-P393 VanDerWaalsContact CB-O 3.32Å; T391-P393 WeakPolarHBondContact CB-O 3.4Å; T391-P393 CarbonylContact O-C 3.03Å; T391-P393 VanDerWaalsContact O-O 3.14Å; T391-P393 PolarHBondContact OG1-O 3.06Å; T391-F395 PolarHBondContact OG1-N 2.89Å; T391-F395 VanDerWaalsContact OG1-N 3.16Å; T391-S406 CarbonylContact C-O 3.53Å; T391-S406 WeakPolarHBondContact CA-O 3.45Å; T391-P408 HydrophobicContact CG2-CG 3.92Å; T391-T500 WeakPolarHBondContact CG2-O 3.44Å
392	I	89.4	Confident	92.8	Very high	55 Å²	55	40.8 Å²	40.8	28%	0.282	23%	0.228	S	C	.	.	S	Bend	trans	-120.3	119.2	162.3	-66.2	175.7	0	0	0	107.7	H253 P405 S406	H253-I392 WeakPolarHBondContact CE1-CD1 3.47Å; H253-I392 WeakPolarHBondContact NE2-CD1 3.34Å; I392-P405 HydrophobicContact CD1-CB 4.15Å; I392-P405 HydrophobicContact CD1-CG 3.56Å; I392-P405 HydrophobicContact CG1-CB 3.88Å; I392-P405 HydrophobicContact CG1-CG 3.82Å; I392-S406 PolarHBondContact N-O 3.33Å
393	P	90.6	Very high	92.6	Very high	59 Å²	59	44.6 Å²	44.6	38%	0.383	25%	0.248	S	C	.	.	S	Bend	cis	-64.6	167.3	-4.7	30.1	-33.5	0	0	0	112.5	V344 L348 T391	V344-P393 HydrophobicContact CG1-CG 4.08Å; L348-P393 HydrophobicContact CD1-CG 3.86Å; L348-P393 VanDerWaalsContact CD1-O 3.29Å; L348-P393 WeakPolarHBondContact CD1-O 3.46Å; T391-P393 CarbonylContact C-O 3.55Å; T391-P393 VanDerWaalsContact CB-O 3.32Å; T391-P393 WeakPolarHBondContact CB-O 3.4Å; T391-P393 CarbonylContact O-C 3.03Å; T391-P393 VanDerWaalsContact O-O 3.14Å; T391-P393 PolarHBondContact OG1-O 3.06Å
394	D	93.5	Very high	92.2	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	28%	0.28	S	S	.	.			trans	-61.3	143.3	-177.7	-63.8	-52.3	0	0	0	111.4	S389 G396 T401	S389-D394 WeakPolarHBondContact OG-CA 3.28Å; D394-G396 PolarHBondContact O-N 3.29Å; D394-T401 WeakPolarHBondContact OD1-CB 3.12Å; D394-T401 WeakPolarHBondContact OD1-CG2 3.47Å; D394-T401 PolarHBondContact OD1-OG1 3.41Å; D394-T401 PolarHBondContact OD2-OG1 3.01Å
395	F	94.1	Very high	92.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	29%	0.29	C	S	.	.	S	Bend	trans	-67.4	-13.3	-178.2	175.2	-127.1	0	0	0	113.5	L348 G351 W352 L355 S389 T391 L399 I455 M501 A502	L348-F395 HydrophobicContact CB-CD2 4.28Å; L348-F395 HydrophobicContact CD2-CB 4.37Å; L348-F395 HydrophobicContact CD2-CD2 3.79Å; L348-F395 WeakPolarHBondContact O-CE2 3.35Å; G351-F395 VanDerWaalsContact C-CE2 3.47Å; W352-F395 WeakPolarHBondContact CB-O 3.29Å; W352-F395 HydrophobicContact CE3-CD1 4.43Å; W352-F395 HydrophobicContact CE3-CE1 4.5Å; L355-F395 HydrophobicContact CD2-CE1 4.08Å; S389-F395 PolarHBondContact OG-N 3.45Å; T391-F395 PolarHBondContact OG1-N 2.89Å; T391-F395 VanDerWaalsContact OG1-N 3.16Å; F395-L399 HydrophobicContact CD1-CD1 4.32Å; F395-I455 HydrophobicContact CE1-CG2 3.88Å; F395-I455 HydrophobicContact CZ-CG2 4.14Å; F395-M501 HydrophobicContact CB-CB 4.43Å; F395-M501 WeakPolarHBondContact CB-O 3.44Å; F395-M501 HydrophobicContact CD1-CB 3.8Å; F395-M501 HydrophobicContact CD2-CB 3.69Å; F395-M501 HydrophobicContact CD2-CG 3.9Å; F395-M501 HydrophobicContact CD2-SD 3.95Å; F395-M501 HydrophobicContact CE1-CB 3.85Å; F395-M501 HydrophobicContact CE2-CB 3.78Å; F395-M501 HydrophobicContact CE2-CE 4.18Å; F395-M501 HydrophobicContact CE2-CG 3.84Å; F395-M501 HydrophobicContact CE2-SD 3.28Å; F395-M501 WeakPolarHBondContact CE2-SD 3.32Å; F395-M501 HydrophobicContact CG-CB 3.69Å; F395-M501 HydrophobicContact CG-CG 4.4Å; F395-M501 HydrophobicContact CZ-CB 3.85Å; F395-M501 HydrophobicContact CZ-CG 4.26Å; F395-M501 HydrophobicContact CZ-SD 3.62Å; F395-A502 HydrophobicContact CD1-CB 3.94Å; F395-A502 HydrophobicContact CE1-CB 4.47Å
396	G	87.8	Confident	91.9	Very high	14 Å²	14	49.1 Å²	49.1	14%	0.144	28%	0.275	C	S	.	.	S	Bend	trans	-160.5	164.5	-177.4	0	0	0	0	0	111.6	D394	D394-G396 PolarHBondContact O-N 3.29Å
397	T	84	Confident	91.7	Very high	89 Å²	89	47 Å²	47	55%	0.546	27%	0.266	S	S	.	.	S	Bend	trans	-70.4	140	167.3	52.6	0	0	0	0	108.8	W352 L399	W352-T397 WeakPolarHBondContact CH2-O 3.46Å; W352-T397 WeakPolarHBondContact CZ2-O 3.42Å; T397-L399 PolarHBondContact O-N 2.87Å
398	D	81	Confident	91.6	Very high	133 Å²	133	46.9 Å²	46.9	71%	0.711	27%	0.265	S	S	*	.	S	Bend	trans	66.3	4.2	171.6	-46.4	-50.4	0	0	0	116.9
399	L	90.3	Very high	91.5	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-73.5	129.3	165.3	-78.3	-175.1	0	0	0	110	W352 I384 W387 F395 T397 T401 A502	W352-L399 HydrophobicContact CE3-CD1 4.42Å; W352-L399 HydrophobicContact CH2-CD1 4.28Å; W352-L399 HydrophobicContact CH2-CG 3.97Å; W352-L399 HydrophobicContact CZ3-CD1 3.61Å; W352-L399 HydrophobicContact CZ3-CG 3.82Å; I384-L399 HydrophobicContact CG2-CD2 3.49Å; I384-L399 VanDerWaalsContact CG2-CD2 3.49Å; I384-L399 HydrophobicContact CG2-CG 4.18Å; W387-L399 VanDerWaalsContact O-CD2 3.31Å; W387-L399 WeakPolarHBondContact O-CD2 3Å; F395-L399 HydrophobicContact CD1-CD1 4.32Å; T397-L399 PolarHBondContact O-N 2.87Å; L399-T401 PolarHBondContact O-N 2.96Å; L399-A502 HydrophobicContact CD1-CB 4.5Å
400	K	93.5	Very high	91.5	Very high	130 Å²	130	47.8 Å²	47.8	57%	0.565	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-62.8	131.5	167.1	-178.9	-172.3	167.1	-150.2	0	109.1	E388 S389	E388-K400 CarbonylContact C-O 3.58Å; E388-K400 WeakPolarHBondContact CA-O 3.28Å; E388-K400 VanDerWaalsContact CB-O 3.29Å; E388-K400 WeakPolarHBondContact CB-O 3.11Å; E388-K400 WeakPolarHBondContact OE1-CE 3.42Å; E388-K400 IonicContact OE1-NZ 3.61Å; E388-K400 PolarHBondContact OE1-NZ 3.21Å; S389-K400 PolarHBondContact N-O 3.46Å
401	T	93.9	Very high	91.4	Very high	51 Å²	51	49.5 Å²	49.5	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.2	171.2	-40.9	0	0	0	0	110.8	D394 L399 P405	D394-T401 WeakPolarHBondContact OD1-CB 3.12Å; D394-T401 WeakPolarHBondContact OD1-CG2 3.47Å; D394-T401 PolarHBondContact OD1-OG1 3.41Å; D394-T401 PolarHBondContact OD2-OG1 3.01Å; L399-T401 PolarHBondContact O-N 2.96Å; T401-P405 HydrophobicContact CG2-CB 3.47Å; T401-P405 VanDerWaalsContact CG2-CB 3.47Å; T401-P405 HydrophobicContact CG2-CG 3.51Å
402	C	93.9	Very high	91.5	Very high	15 Å²	15	49.5 Å²	49.5	10%	0.101	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	173.4	176.5	81.7	0	0	0	0	111.6	E388 S389 T404 P405	E388-C402 HydrophobicContact CB-CB 3.84Å; E388-C402 WeakPolarHBondContact OE2-CA 3.27Å; E388-C402 WeakPolarHBondContact OE2-CB 3.3Å; S389-C402 WeakPolarHBondContact O-CB 2.98Å; S389-C402 PolarHBondContact O-N 3.23Å; S389-C402 PolarHBondContact O-SG 3.47Å; C402-T404 VanDerWaalsContact C-N 3.28Å; C402-T404 PolarHBondContact O-N 2.92Å; C402-P405 WeakPolarHBondContact O-CD 3.47Å
403	N	89.9	Confident	91.8	Very high	148 Å²	148	47.9 Å²	47.9	79%	0.791	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	-24.7	-176.3	-68.7	-33	0	0	0	114.5
404	T	88.4	Confident	92.1	Very high	107 Å²	107	50.1 Å²	50.1	66%	0.656	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	62.4	-175.3	57.5	0	0	0	0	110.6	C402	C402-T404 VanDerWaalsContact C-N 3.28Å; C402-T404 PolarHBondContact O-N 2.92Å
405	P	91.8	Very high	92.2	Very high	35 Å²	35	46.9 Å²	46.9	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	158.7	-178.7	38.9	-40.4	0	0	0	109.3	A390 I392 T401 C402	A390-P405 WeakPolarHBondContact O-CA 3.43Å; I392-P405 HydrophobicContact CD1-CB 4.15Å; I392-P405 HydrophobicContact CD1-CG 3.56Å; I392-P405 HydrophobicContact CG1-CB 3.88Å; I392-P405 HydrophobicContact CG1-CG 3.82Å; T401-P405 HydrophobicContact CG2-CB 3.47Å; T401-P405 VanDerWaalsContact CG2-CB 3.47Å; T401-P405 HydrophobicContact CG2-CG 3.51Å; C402-P405 WeakPolarHBondContact O-CD 3.47Å
406	S	90.9	Very high	92.2	Very high	31 Å²	31	51.9 Å²	51.9	22%	0.217	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.3	-179	66.5	0	0	0	0	111	A390 T391 I392 H409	A390-S406 PolarHBondContact O-N 2.57Å; T391-S406 CarbonylContact C-O 3.53Å; T391-S406 WeakPolarHBondContact CA-O 3.45Å; I392-S406 PolarHBondContact N-O 3.33Å; S406-H409 PolarHBondContact OG-CE1 3.42Å; S406-H409 VanDerWaalsContact OG-CE1 3.22Å; S406-H409 PolarHBondContact OG-ND1 3.23Å
407	I	90.3	Very high	92.5	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.082	29%	0.291	C	S	.	.			trans	-59	140.5	164.5	-67.6	177.2	0	0	0	108.8	H253 F255 W304 A306 H409	H253-I407 HydrophobicContact CB-CD1 3.97Å; H253-I407 HydrophobicContact CB-CG1 4.47Å; F255-I407 HydrophobicContact CE2-CD1 3.47Å; F255-I407 VanDerWaalsContact CE2-CD1 3.47Å; F255-I407 HydrophobicContact CZ-CD1 3.81Å; F255-I407 HydrophobicContact CZ-CG2 4.23Å; W304-I407 WeakPolarHBondContact O-CG2 3.19Å; A306-I407 HydrophobicContact CB-CD1 3.6Å; A306-I407 HydrophobicContact CB-CG1 4.44Å; I407-H409 PolarHBondContact O-N 3.11Å; I407-H409 PolarHBondContact O-ND1 3.46Å
408	P	94.2	Very high	93	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.278	C	S	.	.			trans	-48.1	129.9	172.3	-29.9	37.6	0	0	0	112.2	W304 V344 L347 L348 T391 V499	W304-P408 HydrophobicContact CE3-CB 4.12Å; W304-P408 PolarHBondContact N-O 2.67Å; V344-P408 HydrophobicContact CG1-CG 4.1Å; L347-P408 HydrophobicContact CD2-CB 4.43Å; L348-P408 HydrophobicContact CD1-CG 4.24Å; L348-P408 HydrophobicContact CD2-CG 4Å; L348-P408 HydrophobicContact CG-CG 4.35Å; T391-P408 HydrophobicContact CG2-CG 3.92Å; P408-V499 HydrophobicContact CB-CG1 3.84Å
409	H	95.1	Very high	93.7	Very high	32 Å²	32	55.5 Å²	55.5	15%	0.148	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	162	-177.4	65.8	-84	0	0	0	111.8	Y299 W302 F303 S406 I407 T411	Y299-H409 AromaticContact CE2-CD2 3.65Å; Y299-H409 AromaticContact CE2-NE2 3.64Å; Y299-H409 AromaticContact CZ-NE2 3.92Å; W302-H409 CarbonylContact O-C 3.59Å; W302-H409 WeakPolarHBondContact O-CA 3.28Å; W302-H409 WeakPolarHBondContact O-CB 3.47Å; F303-H409 HydrophobicContact CB-CB 4.5Å; F303-H409 HydrophobicContact CD1-CB 3.29Å; F303-H409 HydrophobicContact CE1-CB 3.61Å; F303-H409 AromaticContact CE1-CG 3.88Å; F303-H409 HydrophobicContact CG-CB 3.9Å; F303-H409 HydrophobicContact CZ-CB 4.43Å; S406-H409 PolarHBondContact OG-CE1 3.42Å; S406-H409 VanDerWaalsContact OG-CE1 3.22Å; S406-H409 PolarHBondContact OG-ND1 3.23Å; I407-H409 PolarHBondContact O-N 3.11Å; I407-H409 PolarHBondContact O-ND1 3.46Å; H409-T411 PolarHBondContact CD2-OG1 3.1Å; H409-T411 VanDerWaalsContact CD2-OG1 3.32Å; H409-T411 PolarHBondContact NE2-OG1 3.45Å
410	I	96.7	Very high	93.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	105.7	177.3	-55.9	154.8	0	0	0	107	G301 W302 W304 A412 V443 V459 L461 W471 A497 V499	G301-I410 CarbonylContact C-O 3.4Å; G301-I410 WeakPolarHBondContact CA-O 3.39Å; W302-I410 HydrophobicContact CB-CB 4.3Å; W302-I410 HydrophobicContact CB-CD1 4.19Å; W302-I410 HydrophobicContact CE3-CB 3.99Å; W302-I410 HydrophobicContact CE3-CG2 3.84Å; W302-I410 HydrophobicContact CZ3-CG2 4.25Å; W302-I410 PolarHBondContact N-O 3.43Å; W302-I410 PolarHBondContact O-N 3.11Å; W304-I410 HydrophobicContact CH2-CD1 3.91Å; W304-I410 HydrophobicContact CH2-CG1 4.36Å; W304-I410 HydrophobicContact CZ3-CD1 4.06Å; W304-I410 HydrophobicContact CZ3-CG1 4.13Å; I410-A412 PolarHBondContact O-N 3.27Å; I410-V443 HydrophobicContact CD1-CB 4.33Å; I410-V443 HydrophobicContact CD1-CG1 3.96Å; I410-V443 HydrophobicContact CD1-CG2 4.09Å; I410-V459 HydrophobicContact CD1-CB 4.49Å; I410-V459 HydrophobicContact CD1-CG1 3.74Å; I410-V459 HydrophobicContact CD1-CG2 4.16Å; I410-V459 HydrophobicContact CG1-CG1 4.4Å; I410-V459 HydrophobicContact CG1-CG2 4.1Å; I410-L461 HydrophobicContact CG2-CD2 4.16Å; I410-W471 HydrophobicContact CG2-CZ3 4.15Å; I410-A497 HydrophobicContact CG2-CB 4.15Å; I410-V499 HydrophobicContact CD1-CG2 4.46Å; I410-V499 HydrophobicContact CG1-CG2 3.69Å
411	T	96.5	Very high	94	Very high	41 Å²	41	56 Å²	56	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.7	-178.4	-66.6	0	0	0	0	110.6	H409 W471	H409-T411 PolarHBondContact CD2-OG1 3.1Å; H409-T411 VanDerWaalsContact CD2-OG1 3.32Å; H409-T411 PolarHBondContact NE2-OG1 3.45Å; T411-W471 WeakPolarHBondContact O-CH2 3.37Å; T411-W471 WeakPolarHBondContact O-CZ3 3.4Å
412	A	95.9	Very high	94	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-37.9	176.5	0	0	0	0	0	112.6	Y300 W302 I410 W471 A472 A473 F606	Y300-A412 PolarHBondContact O-N 3.32Å; W302-A412 HydrophobicContact CE3-CB 4.24Å; W302-A412 HydrophobicContact CH2-CB 3.88Å; W302-A412 HydrophobicContact CZ3-CB 3.57Å; I410-A412 PolarHBondContact O-N 3.27Å; A412-W471 HydrophobicContact CB-CE3 4.2Å; A412-A472 CarbonylContact O-C 3.48Å; A412-A472 WeakPolarHBondContact O-CA 3.45Å; A412-A472 PolarHBondContact O-N 3.48Å; A412-A473 PolarHBondContact O-N 3.15Å; A412-F606 HydrophobicContact CB-CE2 3.95Å
413	K	95.7	Very high	94	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.096	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	120.3	175.4	179.1	60.1	179.1	174.9	0	110.7	Y299 Y300 T421 Y426 A472	Y299-K413 CarbonylContact C-O 3.56Å; Y299-K413 VanDerWaalsContact CA-O 3.23Å; Y299-K413 WeakPolarHBondContact CA-O 3.3Å; Y299-K413 WeakPolarHBondContact CB-O 3.44Å; Y300-K413 HydrophobicContact CD2-CB 4.17Å; Y300-K413 HydrophobicContact CD2-CG 4.42Å; Y300-K413 PolarHBondContact N-O 3.32Å; Y300-K413 PolarHBondContact O-N 3.06Å; Y300-K413 VanDerWaalsContact O-N 3.14Å; K413-T421 WeakPolarHBondContact CE-O 3.3Å; K413-T421 PolarHBondContact NZ-O 3Å; K413-Y426 HydrophobicContact CB-CD1 3.83Å; K413-Y426 HydrophobicContact CB-CD2 4.18Å; K413-Y426 HydrophobicContact CB-CE1 3.61Å; K413-Y426 HydrophobicContact CB-CE2 3.97Å; K413-Y426 HydrophobicContact CB-CG 4.1Å; K413-Y426 HydrophobicContact CG-CD1 3.79Å; K413-Y426 HydrophobicContact CG-CD2 4.21Å; K413-Y426 HydrophobicContact CG-CE1 4.13Å; K413-Y426 HydrophobicContact CG-CG 3.83Å; K413-A472 HydrophobicContact CB-CB 4.23Å; K413-A472 HydrophobicContact CD-CB 4.05Å; K413-A472 WeakPolarHBondContact CD-O 3.45Å; K413-A472 HydrophobicContact CG-CB 4.49Å
414	F	96.1	Very high	94.2	Very high	106 Å²	106	53.1 Å²	53.1	47%	0.465	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.8	164.7	-175.5	-112	0	0	0	109.8	K416 A420	F414-K416 HydrophobicContact CD1-CB 4.35Å; F414-K416 HydrophobicContact CE1-CB 3.64Å; F414-K416 HydrophobicContact CE1-CD 4.14Å; F414-K416 HydrophobicContact CE1-CG 4.06Å; F414-K416 HydrophobicContact CZ-CB 3.75Å; F414-K416 HydrophobicContact CZ-CD 4.34Å; F414-K416 HydrophobicContact CZ-CG 3.92Å; F414-A420 HydrophobicContact CD1-CB 4.41Å; F414-A420 WeakPolarHBondContact O-CB 3.39Å
415	S	95.4	Very high	94.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.			trans	-112.4	-18.8	-176.2	42.9	0	0	0	0	113.9	P297 C298 Y417 G418 R419 A420	P297-S415 PolarHBondContact O-OG 3.46Å; C298-S415 VanDerWaalsContact C-OG 3.3Å; C298-S415 CarbonylContact O-C 3.58Å; C298-S415 PolarHBondContact O-N 2.86Å; C298-S415 PolarHBondContact O-OG 3.41Å; C298-S415 VanDerWaalsContact O-OG 3.1Å; S415-Y417 PolarHBondContact O-N 3.06Å; S415-G418 CarbonylContact O-C 3.36Å; S415-G418 WeakPolarHBondContact O-CA 3.3Å; S415-G418 PolarHBondContact O-N 3.28Å; S415-R419 PolarHBondContact O-N 3.32Å; S415-R419 VanDerWaalsContact O-N 3.12Å; S415-A420 WeakPolarHBondContact O-CB 3.38Å; S415-A420 PolarHBondContact O-N 2.81Å
416	K	95.3	Very high	94.7	Very high	107 Å²	107	52.7 Å²	52.7	47%	0.465	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	48.1	43.4	-179.6	-159	179.9	-179.5	174.6	0	112.8	C298 F414 G418 R419 A420	C298-K416 PolarHBondContact O-N 3.35Å; F414-K416 HydrophobicContact CD1-CB 4.35Å; F414-K416 HydrophobicContact CE1-CB 3.64Å; F414-K416 HydrophobicContact CE1-CD 4.14Å; F414-K416 HydrophobicContact CE1-CG 4.06Å; F414-K416 HydrophobicContact CZ-CB 3.75Å; F414-K416 HydrophobicContact CZ-CD 4.34Å; F414-K416 HydrophobicContact CZ-CG 3.92Å; K416-G418 VanDerWaalsContact C-N 3.34Å; K416-R419 HydrophobicContact CB-CB 4.42Å; K416-R419 WeakPolarHBondContact O-CB 3.39Å; K416-R419 PolarHBondContact O-N 2.76Å; K416-R419 PolarHBondContact O-NE 2.78Å; K416-R419 VanDerWaalsContact O-NE 3.15Å; K416-A420 HydrophobicContact CB-CB 4.17Å
417	Y	94.5	Very high	94.8	Very high	107 Å²	107	51.2 Å²	51.2	42%	0.42	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	60.3	41	-175.7	-43.9	-78.5	0	0	0	113.1	P297 C298 S415 R419 Y610	P297-Y417 WeakPolarHBondContact O-CA 3.4Å; P297-Y417 PolarHBondContact O-N 3.34Å; C298-Y417 HydrophobicContact CB-CD1 4.39Å; C298-Y417 HydrophobicContact CB-CE1 3.72Å; C298-Y417 HydrophobicContact CB-CE2 4.33Å; S415-Y417 PolarHBondContact O-N 3.06Å; Y417-R419 VanDerWaalsContact C-N 3.33Å; Y417-R419 PolarHBondContact O-N 2.79Å; Y417-Y610 WeakPolarHBondContact CE1-OXT 3.06Å
418	G	94	Very high	94.9	Very high	25 Å²	25	54.6 Å²	54.6	26%	0.258	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	87.9	-8	179.3	0	0	0	0	0	114.7	Y296 S415 K416	Y296-G418 VanDerWaalsContact CB-N 3.35Å; S415-G418 CarbonylContact O-C 3.36Å; S415-G418 WeakPolarHBondContact O-CA 3.3Å; S415-G418 PolarHBondContact O-N 3.28Å; K416-G418 VanDerWaalsContact C-N 3.34Å
419	R	95.8	Very high	94.8	Very high	181 Å²	181	58.2 Å²	58.2	68%	0.683	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-16.8	-176.5	-64.2	-180	-69.3	-144	3.5	114.5	S415 K416 Y417	S415-R419 PolarHBondContact O-N 3.32Å; S415-R419 VanDerWaalsContact O-N 3.12Å; K416-R419 HydrophobicContact CB-CB 4.42Å; K416-R419 WeakPolarHBondContact O-CB 3.39Å; K416-R419 PolarHBondContact O-N 2.76Å; K416-R419 PolarHBondContact O-NE 2.78Å; K416-R419 VanDerWaalsContact O-NE 3.15Å; Y417-R419 VanDerWaalsContact C-N 3.33Å; Y417-R419 PolarHBondContact O-N 2.79Å
420	A	94.7	Very high	94.7	Very high	21 Å²	21	65.8 Å²	65.8	17%	0.174	32%	0.316	C	S	.	.	S	Bend	trans	-77.1	148.2	177	0	0	0	0	0	111	F414 S415 K416 G422 A423	F414-A420 HydrophobicContact CD1-CB 4.41Å; F414-A420 WeakPolarHBondContact O-CB 3.39Å; S415-A420 WeakPolarHBondContact O-CB 3.38Å; S415-A420 PolarHBondContact O-N 2.81Å; K416-A420 HydrophobicContact CB-CB 4.17Å; A420-G422 PolarHBondContact O-N 3.17Å; A420-A423 WeakPolarHBondContact O-CB 3.48Å; A420-A423 PolarHBondContact O-N 3.44Å
421	T	94.3	Very high	94.4	Very high	130 Å²	130	67 Å²	67	80%	0.798	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	129.8	179.9	-54.5	0	0	0	0	111.6	K413 A423	K413-T421 WeakPolarHBondContact CE-O 3.3Å; K413-T421 PolarHBondContact NZ-O 3Å; T421-A423 PolarHBondContact O-N 3.41Å
422	G	94.3	Very high	94.2	Very high	41 Å²	41	65 Å²	65	42%	0.423	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	7.2	179.5	0	0	0	0	0	115.4	A420 E424 H425 Y426	A420-G422 PolarHBondContact O-N 3.17Å; G422-E424 PolarHBondContact O-N 3.48Å; G422-H425 PolarHBondContact O-N 2.82Å; G422-Y426 WeakPolarHBondContact O-CB 3.28Å; G422-Y426 PolarHBondContact O-N 3.29Å
423	A	95	Very high	93.9	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-44.9	-179.8	0	0	0	0	0	112.8	A420 T421 Y426 A427	A420-A423 WeakPolarHBondContact O-CB 3.48Å; A420-A423 PolarHBondContact O-N 3.44Å; T421-A423 PolarHBondContact O-N 3.41Å; A423-Y426 PolarHBondContact O-N 3.02Å; A423-A427 WeakPolarHBondContact O-CB 3.35Å; A423-A427 PolarHBondContact O-N 3.19Å
424	E	93.9	Very high	93.5	Very high	111 Å²	111	71.1 Å²	71.1	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-51.6	177.6	172.1	166.5	-150.3	0	0	111.9	Y296 G422 Y426 A427 L428	Y296-E424 HydrophobicContact CE1-CB 4.19Å; Y296-E424 VanDerWaalsContact OH-CG 3.32Å; Y296-E424 WeakPolarHBondContact OH-CG 3.46Å; Y296-E424 PolarHBondContact OH-OE1 2.9Å; G422-E424 PolarHBondContact O-N 3.48Å; E424-Y426 VanDerWaalsContact C-N 3.27Å; E424-Y426 PolarHBondContact O-N 2.86Å; E424-A427 PolarHBondContact O-N 2.76Å; E424-A427 VanDerWaalsContact O-N 3.15Å; E424-L428 HydrophobicContact CG-CD1 3.88Å; E424-L428 WeakPolarHBondContact O-CG 3.3Å; E424-L428 PolarHBondContact O-N 2.93Å
425	H	94.7	Very high	93.1	Very high	130 Å²	130	66.9 Å²	66.9	60%	0.602	33%	0.325	S	S	*	.	H	α-helix	trans	-58.4	-39.4	178.3	178	-97.6	0	0	0	112.2	G422 R429	G422-H425 PolarHBondContact O-N 2.82Å; H425-R429 WeakPolarHBondContact O-CG 3.36Å
426	Y	95.2	Very high	92.8	Very high	3 Å²	3	68 Å²	68	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-47.1	175.7	-179.1	-91.5	0	0	0	111.9	Y300 K413 G422 A423 E424 L428 R429 V432 L470 A472 F606	Y300-Y426 AromaticContact CD1-CE1 3.93Å; Y300-Y426 HydrophobicContact CD1-CE1 3.93Å; Y300-Y426 AromaticContact CD2-CD1 3.81Å; Y300-Y426 HydrophobicContact CD2-CD1 3.81Å; Y300-Y426 AromaticContact CD2-CE1 3.61Å; Y300-Y426 HydrophobicContact CD2-CE1 3.61Å; Y300-Y426 HydrophobicContact CE1-CE1 4.39Å; Y300-Y426 AromaticContact CE2-CD1 3.9Å; Y300-Y426 HydrophobicContact CE2-CD1 3.9Å; Y300-Y426 HydrophobicContact CE2-CE1 4.11Å; Y300-Y426 HydrophobicContact CG-CD1 4.16Å; Y300-Y426 AromaticContact CG-CE1 3.51Å; Y300-Y426 HydrophobicContact CG-CE1 3.51Å; K413-Y426 HydrophobicContact CB-CD1 3.83Å; K413-Y426 HydrophobicContact CB-CD2 4.18Å; K413-Y426 HydrophobicContact CB-CE1 3.61Å; K413-Y426 HydrophobicContact CB-CE2 3.97Å; K413-Y426 HydrophobicContact CB-CG 4.1Å; K413-Y426 HydrophobicContact CG-CD1 3.79Å; K413-Y426 HydrophobicContact CG-CD2 4.21Å; K413-Y426 HydrophobicContact CG-CE1 4.13Å; K413-Y426 HydrophobicContact CG-CG 3.83Å; G422-Y426 WeakPolarHBondContact O-CB 3.28Å; G422-Y426 PolarHBondContact O-N 3.29Å; A423-Y426 PolarHBondContact O-N 3.02Å; E424-Y426 VanDerWaalsContact C-N 3.27Å; E424-Y426 PolarHBondContact O-N 2.86Å; Y426-L428 VanDerWaalsContact C-N 3.29Å; Y426-L428 PolarHBondContact O-N 3.07Å; Y426-R429 WeakPolarHBondContact O-CB 3.38Å; Y426-R429 WeakPolarHBondContact O-CG 3.35Å; Y426-R429 PolarHBondContact O-N 2.86Å; Y426-V432 HydrophobicContact CD1-CG1 4.28Å; Y426-V432 HydrophobicContact CD1-CG2 4.19Å; Y426-V432 HydrophobicContact CD2-CG2 4.36Å; Y426-V432 HydrophobicContact CE1-CB 4.49Å; Y426-V432 HydrophobicContact CE1-CG1 3.86Å; Y426-V432 HydrophobicContact CE1-CG2 3.77Å; Y426-V432 HydrophobicContact CE2-CG2 3.98Å; Y426-V432 HydrophobicContact CG-CG2 4.48Å; Y426-V432 WeakPolarHBondContact O-CG2 3.4Å; Y426-L470 VanDerWaalsContact CE2-O 3.31Å; Y426-L470 WeakPolarHBondContact CE2-O 3.41Å; Y426-L470 PolarHBondContact OH-O 3.11Å; Y426-A472 HydrophobicContact CD2-CB 3.42Å; Y426-A472 VanDerWaalsContact CD2-CB 3.42Å; Y426-A472 HydrophobicContact CE2-CB 3.37Å; Y426-F606 WeakPolarHBondContact OH-CZ 3.49Å
427	A	93.4	Very high	92.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-36.2	-179.7	0	0	0	0	0	113	Y296 Y300 A423 E424 R429 N433	Y296-A427 HydrophobicContact CD1-CB 3.79Å; Y296-A427 HydrophobicContact CE1-CB 3.65Å; Y300-A427 WeakPolarHBondContact OH-CB 3.4Å; A423-A427 WeakPolarHBondContact O-CB 3.35Å; A423-A427 PolarHBondContact O-N 3.19Å; E424-A427 PolarHBondContact O-N 2.76Å; E424-A427 VanDerWaalsContact O-N 3.15Å; A427-R429 VanDerWaalsContact C-N 3.28Å; A427-R429 PolarHBondContact O-N 3.47Å; A427-N433 VanDerWaalsContact O-CG 3.32Å; A427-N433 PolarHBondContact O-ND2 3.44Å; A427-N433 PolarHBondContact O-OD1 3.16Å
428	L	91.8	Very high	91.8	Very high	87 Å²	87	58.9 Å²	58.9	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.3	-178.4	-65.7	175.2	0	0	0	113.8	E424 Y426 R430	E424-L428 HydrophobicContact CG-CD1 3.88Å; E424-L428 WeakPolarHBondContact O-CG 3.3Å; E424-L428 PolarHBondContact O-N 2.93Å; Y426-L428 VanDerWaalsContact C-N 3.29Å; Y426-L428 PolarHBondContact O-N 3.07Å; L428-R430 PolarHBondContact O-N 3.17Å
429	R	93.6	Very high	91.4	Very high	78 Å²	78	62 Å²	62	29%	0.294	30%	0.302	S	S	.	.			trans	-62.1	131.1	176.6	-69.3	178.9	179.1	-177.5	-1	110.2	H425 Y426 A427 S431 V432 N433	H425-R429 WeakPolarHBondContact O-CG 3.36Å; Y426-R429 WeakPolarHBondContact O-CB 3.38Å; Y426-R429 WeakPolarHBondContact O-CG 3.35Å; Y426-R429 PolarHBondContact O-N 2.86Å; A427-R429 VanDerWaalsContact C-N 3.28Å; A427-R429 PolarHBondContact O-N 3.47Å; R429-S431 VanDerWaalsContact C-N 3.26Å; R429-S431 PolarHBondContact O-N 3.15Å; R429-V432 HydrophobicContact CB-CB 4.17Å; R429-V432 HydrophobicContact CB-CG2 3.92Å; R429-V432 PolarHBondContact O-N 3.18Å; R429-V432 VanDerWaalsContact O-N 3.08Å; R429-N433 PolarHBondContact O-N 2.79Å; R429-N433 PolarHBondContact O-ND2 2.77Å
430	R	91.3	Very high	91.1	Very high	190 Å²	190	54.1 Å²	54.1	72%	0.717	27%	0.273	S	S	*	.	H	α-helix	trans	-54.7	-43.8	175.8	-176.4	175.8	178	173.7	0.4	111.8	L428 V432 N433 E434	L428-R430 PolarHBondContact O-N 3.17Å; R430-V432 PolarHBondContact O-N 3.27Å; R430-N433 PolarHBondContact O-N 3.22Å; R430-E434 HydrophobicContact CG-CG 4.22Å; R430-E434 WeakPolarHBondContact CG-OE1 3.46Å; R430-E434 IonicContact CZ-OE1 3.34Å; R430-E434 IonicContact NE-OE1 2.71Å; R430-E434 PolarHBondContact NE-OE1 2.91Å; R430-E434 IonicContact NE-OE2 3.73Å; R430-E434 IonicContact NH2-OE1 3.05Å; R430-E434 PolarHBondContact NH2-OE1 3.32Å; R430-E434 WeakPolarHBondContact O-CB 3.16Å; R430-E434 WeakPolarHBondContact O-CG 3.09Å; R430-E434 PolarHBondContact O-N 3.02Å
431	S	91.4	Very high	91	Very high	25 Å²	25	53.9 Å²	53.9	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-49	175.2	53.6	0	0	0	0	111.8	R429 N435 H469	R429-S431 VanDerWaalsContact C-N 3.26Å; R429-S431 PolarHBondContact O-N 3.15Å; S431-N435 WeakPolarHBondContact O-CB 3.47Å; S431-N435 PolarHBondContact O-N 3.09Å; S431-N435 VanDerWaalsContact O-N 3.12Å; S431-N435 PolarHBondContact O-ND2 2.97Å; S431-H469 PolarHBondContact OG-O 3.4Å; S431-H469 VanDerWaalsContact OG-O 3.12Å
432	V	92.3	Very high	90.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-50.2	-179.8	174.6	0	0	0	0	110.5	Y300 Y426 R429 R430 E434 N435 L436 L470 F606	Y300-V432 HydrophobicContact CD1-CG1 3.97Å; Y300-V432 HydrophobicContact CE1-CG1 3.91Å; Y426-V432 HydrophobicContact CD1-CG1 4.28Å; Y426-V432 HydrophobicContact CD1-CG2 4.19Å; Y426-V432 HydrophobicContact CD2-CG2 4.36Å; Y426-V432 HydrophobicContact CE1-CB 4.49Å; Y426-V432 HydrophobicContact CE1-CG1 3.86Å; Y426-V432 HydrophobicContact CE1-CG2 3.77Å; Y426-V432 HydrophobicContact CE2-CG2 3.98Å; Y426-V432 HydrophobicContact CG-CG2 4.48Å; Y426-V432 WeakPolarHBondContact O-CG2 3.4Å; R429-V432 HydrophobicContact CB-CB 4.17Å; R429-V432 HydrophobicContact CB-CG2 3.92Å; R429-V432 PolarHBondContact O-N 3.18Å; R429-V432 VanDerWaalsContact O-N 3.08Å; R430-V432 PolarHBondContact O-N 3.27Å; V432-E434 PolarHBondContact O-N 3.08Å; V432-N435 PolarHBondContact O-N 3.43Å; V432-L436 HydrophobicContact CG1-CD1 4.34Å; V432-L436 HydrophobicContact CG1-CG 4.41Å; V432-L436 WeakPolarHBondContact O-CG 3.31Å; V432-L436 PolarHBondContact O-N 3.24Å; V432-L470 HydrophobicContact CG2-CD2 3.95Å; V432-F606 HydrophobicContact CG1-CE1 4.17Å; V432-F606 HydrophobicContact CG1-CZ 4.49Å
433	N	89.2	Confident	90.9	Very high	60 Å²	60	48.4 Å²	48.4	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-42.3	-178.3	-75.8	-44	0	0	0	113.8	A427 R429 R430 N435	A427-N433 VanDerWaalsContact O-CG 3.32Å; A427-N433 PolarHBondContact O-ND2 3.44Å; A427-N433 PolarHBondContact O-OD1 3.16Å; R429-N433 PolarHBondContact O-N 2.79Å; R429-N433 PolarHBondContact O-ND2 2.77Å; R430-N433 PolarHBondContact O-N 3.22Å; N433-N435 VanDerWaalsContact C-N 3.35Å
434	E	86.9	Confident	90.9	Very high	91 Å²	91	50.7 Å²	50.7	43%	0.425	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-38.7	177.6	-72.7	175.9	166.4	0	0	111.5	R430 V432 L437	R430-E434 HydrophobicContact CG-CG 4.22Å; R430-E434 WeakPolarHBondContact CG-OE1 3.46Å; R430-E434 IonicContact CZ-OE1 3.34Å; R430-E434 IonicContact NE-OE1 2.71Å; R430-E434 PolarHBondContact NE-OE1 2.91Å; R430-E434 IonicContact NE-OE2 3.73Å; R430-E434 IonicContact NH2-OE1 3.05Å; R430-E434 PolarHBondContact NH2-OE1 3.32Å; R430-E434 WeakPolarHBondContact O-CB 3.16Å; R430-E434 WeakPolarHBondContact O-CG 3.09Å; R430-E434 PolarHBondContact O-N 3.02Å; V432-E434 PolarHBondContact O-N 3.08Å; E434-L437 PolarHBondContact O-N 3.12Å
435	N	88	Confident	91.1	Very high	16 Å²	16	45.4 Å²	45.4	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-73.9	-30.4	-179.3	-77	-71.1	0	0	0	113.5	S431 V432 N433 L437 G438 K439 F441 L470 F606	S431-N435 WeakPolarHBondContact O-CB 3.47Å; S431-N435 PolarHBondContact O-N 3.09Å; S431-N435 VanDerWaalsContact O-N 3.12Å; S431-N435 PolarHBondContact O-ND2 2.97Å; V432-N435 PolarHBondContact O-N 3.43Å; N433-N435 VanDerWaalsContact C-N 3.35Å; N435-L437 PolarHBondContact O-N 3.44Å; N435-L437 VanDerWaalsContact O-N 3.09Å; N435-G438 PolarHBondContact O-N 2.68Å; N435-G438 VanDerWaalsContact O-N 3.15Å; N435-K439 HydrophobicContact CB-CB 4.39Å; N435-K439 PolarHBondContact O-N 3.27Å; N435-K439 VanDerWaalsContact O-N 3.08Å; N435-K439 VanDerWaalsContact OD1-CB 3.29Å; N435-K439 WeakPolarHBondContact OD1-CB 3.5Å; N435-K439 WeakPolarHBondContact OD1-CD 3.41Å; N435-F441 VanDerWaalsContact OD1-CZ 3.28Å; N435-F441 WeakPolarHBondContact OD1-CZ 3.12Å; N435-L470 HydrophobicContact CB-CD1 4.24Å; N435-L470 HydrophobicContact CB-CD2 4.23Å; N435-F606 HydrophobicContact CB-CB 4.47Å; N435-F606 HydrophobicContact CB-CD1 3.67Å; N435-F606 HydrophobicContact CB-CE1 4.3Å; N435-F606 HydrophobicContact CB-CG 4.35Å
436	L	88.6	Confident	91.2	Very high	24 Å²	24	41 Å²	41	13%	0.126	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.6	174.4	-80.6	-178.7	0	0	0	114.1	Y300 V432 G438 F606 A607 A608	Y300-L436 HydrophobicContact CD1-CD1 4.38Å; Y300-L436 HydrophobicContact CD1-CD2 4.14Å; Y300-L436 HydrophobicContact CE1-CD1 3.96Å; Y300-L436 HydrophobicContact CE1-CD2 4.5Å; V432-L436 HydrophobicContact CG1-CD1 4.34Å; V432-L436 HydrophobicContact CG1-CG 4.41Å; V432-L436 WeakPolarHBondContact O-CG 3.31Å; V432-L436 PolarHBondContact O-N 3.24Å; L436-G438 PolarHBondContact O-N 3.04Å; L436-F606 HydrophobicContact CD2-CD1 4.32Å; L436-F606 HydrophobicContact CD2-CE1 4.15Å; L436-F606 HydrophobicContact CG-CE1 4.34Å; L436-A607 VanDerWaalsContact CD2-C 3.46Å; L436-A608 HydrophobicContact CD2-CB 3.68Å
437	L	86.6	Confident	91.3	Very high	20 Å²	20	40.8 Å²	40.8	11%	0.105	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	18.3	175.2	-55.8	169.6	0	0	0	112.6	F140 P141 F142 I257 E434 N435	F140-L437 HydrophobicContact CD1-CD1 3.84Å; F140-L437 HydrophobicContact CD1-CD2 3.99Å; F140-L437 HydrophobicContact CD1-CG 4.39Å; F140-L437 HydrophobicContact CE1-CD1 4.28Å; F140-L437 HydrophobicContact CE1-CD2 4.26Å; P141-L437 HydrophobicContact CG-CB 4.22Å; F142-L437 HydrophobicContact CD1-CB 4.36Å; F142-L437 WeakPolarHBondContact CD1-O 3.33Å; F142-L437 HydrophobicContact CE1-CD2 4.27Å; I257-L437 HydrophobicContact CG2-CD2 4.38Å; E434-L437 PolarHBondContact O-N 3.12Å; N435-L437 PolarHBondContact O-N 3.44Å; N435-L437 VanDerWaalsContact O-N 3.09Å
438	G	82.6	Confident	91.5	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	39.4	171.7	0	0	0	0	0	114.8	I148 N435 L436	I148-G438 WeakPolarHBondContact CD1-O 3.23Å; I148-G438 WeakPolarHBondContact CG1-O 3.49Å; N435-G438 PolarHBondContact O-N 2.68Å; N435-G438 VanDerWaalsContact O-N 3.15Å; L436-G438 PolarHBondContact O-N 3.04Å
439	K	87	Confident	91.8	Very high	92 Å²	92	37 Å²	37	40%	0.4	17%	0.174	S	C	.	.			trans	-75.5	133.6	174.2	-161.9	-179.2	-172.3	178.7	0	111.3	N435 F441 F606	N435-K439 HydrophobicContact CB-CB 4.39Å; N435-K439 PolarHBondContact O-N 3.27Å; N435-K439 VanDerWaalsContact O-N 3.08Å; N435-K439 VanDerWaalsContact OD1-CB 3.29Å; N435-K439 WeakPolarHBondContact OD1-CB 3.5Å; N435-K439 WeakPolarHBondContact OD1-CD 3.41Å; K439-F441 HydrophobicContact CB-CE2 3.89Å; K439-F441 HydrophobicContact CB-CZ 4.25Å; K439-F441 HydrophobicContact CD-CE1 4.26Å; K439-F441 HydrophobicContact CD-CE2 4.2Å; K439-F441 HydrophobicContact CD-CZ 3.73Å; K439-F441 HydrophobicContact CG-CE2 4.09Å; K439-F441 HydrophobicContact CG-CZ 4.13Å; K439-F441 WeakPolarHBondContact O-CD2 3.35Å; K439-F441 WeakPolarHBondContact O-CE2 3.13Å; K439-F606 PolarHBondContact O-N 3.34Å; K439-F606 VanDerWaalsContact O-N 3.12Å
440	L	88.8	Confident	92	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	144.3	174.2	-66.5	172.1	0	0	0	112.4	E147 I148 W151 V604 T605	E147-L440 HydrophobicContact CB-CD1 3.99Å; E147-L440 HydrophobicContact CG-CD1 3.6Å; I148-L440 HydrophobicContact CB-CD1 4.38Å; I148-L440 HydrophobicContact CB-CG 4.49Å; I148-L440 HydrophobicContact CD1-CD2 4.34Å; I148-L440 HydrophobicContact CD1-CG 4.21Å; W151-L440 HydrophobicContact CB-CD1 4.14Å; W151-L440 HydrophobicContact CB-CD2 4.26Å; W151-L440 HydrophobicContact CD2-CD1 4.5Å; W151-L440 HydrophobicContact CD2-CD2 3.52Å; W151-L440 HydrophobicContact CE3-CD2 4Å; W151-L440 HydrophobicContact CG-CD1 4.38Å; W151-L440 HydrophobicContact CG-CD2 3.66Å; W151-L440 HydrophobicContact CZ2-CD2 4.25Å; L440-V604 CarbonylContact C-O 3.49Å; L440-V604 WeakPolarHBondContact CA-O 3.27Å; L440-T605 WeakPolarHBondContact CD2-OG1 3.48Å
441	F	91.4	Very high	92.3	Very high	15 Å²	15	24.4 Å²	24.4	7%	0.066	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.5	179.5	-64.7	-88	0	0	0	110.6	W302 N435 K439 P462 V466 L470 R603 V604 F606	W302-F441 AromaticContact CD1-CD2 3.6Å; W302-F441 AromaticContact CD1-CG 4Å; W302-F441 AromaticContact NE1-CD2 3.39Å; W302-F441 AromaticContact NE1-CE2 3.8Å; W302-F441 AromaticContact NE1-CG 3.65Å; N435-F441 VanDerWaalsContact OD1-CZ 3.28Å; N435-F441 WeakPolarHBondContact OD1-CZ 3.12Å; K439-F441 HydrophobicContact CB-CE2 3.89Å; K439-F441 HydrophobicContact CB-CZ 4.25Å; K439-F441 HydrophobicContact CD-CE1 4.26Å; K439-F441 HydrophobicContact CD-CE2 4.2Å; K439-F441 HydrophobicContact CD-CZ 3.73Å; K439-F441 HydrophobicContact CG-CE2 4.09Å; K439-F441 HydrophobicContact CG-CZ 4.13Å; K439-F441 WeakPolarHBondContact O-CD2 3.35Å; K439-F441 WeakPolarHBondContact O-CE2 3.13Å; F441-P462 HydrophobicContact CB-CG 4.05Å; F441-P462 HydrophobicContact CD1-CG 4.1Å; F441-P462 HydrophobicContact CG-CG 4.47Å; F441-V466 HydrophobicContact CD1-CG2 3.64Å; F441-V466 HydrophobicContact CE1-CG1 4.45Å; F441-V466 HydrophobicContact CE1-CG2 3.38Å; F441-V466 HydrophobicContact CZ-CG2 4.46Å; F441-L470 HydrophobicContact CE1-CD1 4.23Å; F441-L470 HydrophobicContact CE2-CD1 4.22Å; F441-L470 HydrophobicContact CZ-CD1 3.59Å; F441-R603 WeakPolarHBondContact O-CA 3.43Å; F441-R603 PolarHBondContact O-NH1 3.12Å; F441-V604 HydrophobicContact CB-CG2 4.08Å; F441-V604 PolarHBondContact N-O 3.43Å; F441-V604 PolarHBondContact O-N 3.04Å; F441-F606 HydrophobicContact CD2-CB 3.99Å; F441-F606 HydrophobicContact CE2-CB 3.52Å; F441-F606 HydrophobicContact CE2-CG 4.5Å
442	T	92	Very high	92.5	Very high	56 Å²	56	24.9 Å²	24.9	34%	0.344	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.1	170.7	-56.6	0	0	0	0	108.9	P462 H601 Y602 R603	T442-P462 WeakPolarHBondContact O-CG 3.17Å; T442-H601 HydrophobicContact CG2-CB 3.96Å; T442-Y602 CarbonylContact C-O 3.52Å; T442-Y602 VanDerWaalsContact CA-O 3.32Å; T442-Y602 WeakPolarHBondContact CA-O 3.39Å; T442-R603 VanDerWaalsContact OG1-CD 3.29Å; T442-R603 WeakPolarHBondContact OG1-CD 3.48Å; T442-R603 PolarHBondContact OG1-NH1 3.36Å
443	V	94.4	Very high	92.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	158.1	175.7	-64.7	0	0	0	0	110.5	W304 I410 V459 L461 P462 H601 Y602 V604	W304-V443 HydrophobicContact CH2-CG2 4.19Å; W304-V443 HydrophobicContact CZ2-CG2 4.09Å; I410-V443 HydrophobicContact CD1-CB 4.33Å; I410-V443 HydrophobicContact CD1-CG1 3.96Å; I410-V443 HydrophobicContact CD1-CG2 4.09Å; V443-V459 HydrophobicContact CB-CG1 4.01Å; V443-V459 HydrophobicContact CG1-CG1 4.41Å; V443-L461 HydrophobicContact CG1-CD2 4.43Å; V443-P462 HydrophobicContact CG1-CG 4.4Å; V443-H601 WeakPolarHBondContact O-CA 3.14Å; V443-Y602 PolarHBondContact N-O 3.05Å; V443-Y602 PolarHBondContact O-N 3.18Å; V443-V604 HydrophobicContact CB-CG2 4.45Å; V443-V604 HydrophobicContact CG1-CG2 3.63Å; V443-V604 HydrophobicContact CG2-CG1 3.96Å; V443-V604 HydrophobicContact CG2-CG2 4.05Å
444	Q	95.7	Very high	93	Very high	49 Å²	49	24 Å²	24	23%	0.229	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.5	177.8	-74.9	177.4	-18.3	0	0	110	V459 K460 P599 Q600 H601	Q444-V459 CarbonylContact O-C 3.56Å; Q444-V459 WeakPolarHBondContact O-CA 3.43Å; Q444-K460 HydrophobicContact CB-CB 4.05Å; Q444-K460 PolarHBondContact N-O 3.37Å; Q444-K460 PolarHBondContact O-N 3.48Å; Q444-P599 HydrophobicContact CB-CB 3.99Å; Q444-P599 HydrophobicContact CG-CB 4.21Å; Q444-Q600 CarbonylContact C-O 3.58Å; Q444-Q600 VanDerWaalsContact CA-O 3.3Å; Q444-Q600 WeakPolarHBondContact CA-O 3.48Å; Q444-H601 PolarHBondContact NE2-NE2 3.4Å
445	I	97.1	Very high	93.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.6	166.1	-55.6	-57.4	0	0	0	107.8	L347 W350 A457 R458 V459 L596 P599 Q600 Y602	L347-I445 HydrophobicContact CD1-CD1 4.06Å; L347-I445 HydrophobicContact CD1-CG1 3.84Å; W350-I445 HydrophobicContact CE3-CG2 4.37Å; W350-I445 HydrophobicContact CH2-CG2 3.44Å; W350-I445 VanDerWaalsContact CH2-CG2 3.44Å; W350-I445 HydrophobicContact CZ2-CG2 4.25Å; W350-I445 HydrophobicContact CZ3-CG2 3.52Å; I445-A457 HydrophobicContact CD1-CB 4.36Å; I445-A457 HydrophobicContact CG2-CB 4.18Å; I445-R458 WeakPolarHBondContact CA-O 3.31Å; I445-V459 HydrophobicContact CD1-CG2 3.77Å; I445-L596 HydrophobicContact CG2-CD1 4.4Å; I445-L596 WeakPolarHBondContact O-CD1 3.41Å; I445-P599 CarbonylContact O-C 3.58Å; I445-P599 VanDerWaalsContact O-CA 3.26Å; I445-P599 WeakPolarHBondContact O-CA 3.4Å; I445-Q600 HydrophobicContact CB-CB 4.37Å; I445-Q600 PolarHBondContact N-O 3.3Å; I445-Q600 PolarHBondContact O-N 3.35Å; I445-Y602 HydrophobicContact CB-CD2 4.46Å; I445-Y602 HydrophobicContact CB-CE2 4.31Å; I445-Y602 HydrophobicContact CG1-CD2 3.55Å; I445-Y602 HydrophobicContact CG1-CE2 3.66Å
446	T	97.3	Very high	94	Very high	37 Å²	37	19 Å²	19	23%	0.227	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-12.5	-175.1	62.2	0	0	0	0	113.3	R458 K460 L596 P599	T446-R458 PolarHBondContact N-O 3.07Å; T446-R458 WeakPolarHBondContact OG1-CB 3.47Å; T446-R458 PolarHBondContact OG1-O 3.49Å; T446-K460 HydrophobicContact CG2-CB 3.84Å; T446-L596 WeakPolarHBondContact O-CB 3.49Å; T446-L596 PolarHBondContact O-N 3.08Å; T446-P599 HydrophobicContact CG2-CB 4.35Å; T446-P599 HydrophobicContact CG2-CG 4.36Å
447	G	97.9	Very high	94.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-173.7	-174.6	0	0	0	0	0	113.8	A457 R458 Y594	G447-A457 WeakPolarHBondContact O-CA 2.82Å; G447-R458 PolarHBondContact O-N 2.84Å; G447-Y594 CarbonylContact C-O 3.53Å; G447-Y594 WeakPolarHBondContact CA-O 3.25Å
448	L	97.9	Very high	95	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.3	177.3	-165.2	73.6	0	0	0	109.6	W350 V354 I450 I455 G456 M501 V593 Y594	W350-L448 HydrophobicContact CH2-CB 4.45Å; V354-L448 HydrophobicContact CG1-CD2 4.08Å; L448-I450 HydrophobicContact CD2-CD1 3.96Å; L448-I450 HydrophobicContact CD2-CG1 3.87Å; L448-I450 HydrophobicContact CG-CG1 4.2Å; L448-I455 HydrophobicContact CD1-CG2 3.94Å; L448-I455 HydrophobicContact CD2-CG2 4.09Å; L448-I455 HydrophobicContact CG-CG2 4.17Å; L448-G456 WeakPolarHBondContact CD1-O 3.49Å; L448-M501 HydrophobicContact CD1-SD 3.77Å; L448-V593 WeakPolarHBondContact O-CA 3.41Å; L448-Y594 HydrophobicContact CB-CD1 4.39Å; L448-Y594 PolarHBondContact N-O 3.14Å; L448-Y594 PolarHBondContact O-N 3.11Å
449	V	98.1	Very high	95.7	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.042	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.9	168.8	-179.4	0	0	0	0	108	T451 I455 G456 R458 L516 V519 I591 V593	V449-T451 HydrophobicContact CG1-CG2 4Å; V449-I455 WeakPolarHBondContact O-CA 3.42Å; V449-G456 PolarHBondContact N-O 2.94Å; V449-G456 PolarHBondContact O-N 2.86Å; V449-R458 HydrophobicContact CG2-CG 3.62Å; V449-L516 HydrophobicContact CG2-CD1 4.04Å; V449-V519 HydrophobicContact CG1-CG2 4.11Å; V449-I591 HydrophobicContact CG1-CG2 3.69Å; V449-V593 HydrophobicContact CG2-CG2 4.47Å
450	I	97.9	Very high	96.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.7	179.1	-57.7	161.3	0	0	0	107.7	L355 I358 W387 L448 I455 Y592	L355-I450 HydrophobicContact CD1-CD1 3.69Å; L355-I450 HydrophobicContact CD1-CG1 4.02Å; L355-I450 HydrophobicContact CD1-CG2 4.32Å; I358-I450 HydrophobicContact CB-CD1 4.28Å; I358-I450 HydrophobicContact CD1-CD1 3.73Å; I358-I450 HydrophobicContact CG2-CD1 3.95Å; W387-I450 HydrophobicContact CH2-CG2 4.29Å; W387-I450 HydrophobicContact CZ2-CG2 4.05Å; L448-I450 HydrophobicContact CD2-CD1 3.96Å; L448-I450 HydrophobicContact CD2-CG1 3.87Å; L448-I450 HydrophobicContact CG-CG1 4.2Å; I450-I455 HydrophobicContact CG1-CG2 4.45Å; I450-I455 HydrophobicContact CG2-CG1 4.25Å; I450-Y592 PolarHBondContact N-O 3.39Å; I450-Y592 PolarHBondContact O-N 3.43Å
451	T	96.7	Very high	96.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.102	C	C	.	.			trans	-121.9	169.3	173.6	80.3	0	0	0	0	110.1	W387 V449 R453 T454 D515 I591	W387-T451 VanDerWaalsContact CZ2-O 3.31Å; W387-T451 WeakPolarHBondContact CZ2-O 3.47Å; W387-T451 PolarHBondContact NE1-O 2.89Å; V449-T451 HydrophobicContact CG1-CG2 4Å; T451-R453 PolarHBondContact O-N 3.27Å; T451-R453 PolarHBondContact OG1-N 3.43Å; T451-T454 PolarHBondContact N-O 3.36Å; T451-T454 PolarHBondContact OG1-N 3.15Å; T451-T454 PolarHBondContact OG1-O 2.86Å; T451-T454 PolarHBondContact OG1-OG1 3.28Å; T451-D515 WeakPolarHBondContact CB-OD2 3.36Å; T451-D515 HydrophobicContact CG2-CB 3.8Å; T451-D515 VanDerWaalsContact CG2-OD2 3.23Å; T451-D515 WeakPolarHBondContact CG2-OD2 3.37Å; T451-D515 PolarHBondContact OG1-OD2 3.21Å; T451-I591 HydrophobicContact CG2-CB 4.41Å; T451-I591 HydrophobicContact CG2-CD1 3.86Å; T451-I591 HydrophobicContact CG2-CG1 3.85Å; T451-I591 HydrophobicContact CG2-CG2 3.95Å
452	S	94.9	Very high	95.9	Very high	35 Å²	35	20.7 Å²	20.7	25%	0.245	11%	0.106	C	C	.	.	S	Bend	trans	-58.1	-17.7	171	61.6	0	0	0	0	113.9	H386 E589	H386-S452 PolarHBondContact NE2-O 2.9Å; S452-E589 PolarHBondContact OG-OE2 3.45Å
453	R	95.5	Very high	95.3	Very high	42 Å²	42	23 Å²	23	16%	0.158	12%	0.117	C	C	.	.	S	Bend	trans	-108.7	-37.2	-176	-72.2	-177.5	-60.9	-67.1	1.5	113.3	T451 L503 A504 V507 E511 D515 E589	T451-R453 PolarHBondContact O-N 3.27Å; T451-R453 PolarHBondContact OG1-N 3.43Å; R453-L503 CarbonylContact O-C 3.56Å; R453-L503 WeakPolarHBondContact O-CA 2.93Å; R453-A504 PolarHBondContact O-N 3.38Å; R453-V507 HydrophobicContact CB-CG1 4.14Å; R453-V507 HydrophobicContact CB-CG2 4.17Å; R453-V507 HydrophobicContact CG-CG2 4.2Å; R453-E511 HydrophobicContact CB-CG 4.31Å; R453-E511 IonicContact CZ-OE1 3.88Å; R453-E511 IonicContact NE-OE1 3.66Å; R453-E511 PolarHBondContact NE-OE1 3.37Å; R453-E511 IonicContact NH2-OE1 2.82Å; R453-D515 IonicContact CZ-OD1 3.92Å; R453-D515 IonicContact NE-OD1 2.79Å; R453-D515 IonicContact NH2-OD1 3.46Å; R453-D515 PolarHBondContact NH2-OD1 3.45Å; R453-E589 IonicContact CZ-OE1 2.86Å; R453-E589 IonicContact CZ-OE2 2.73Å; R453-E589 IonicContact NH1-OE1 3.68Å; R453-E589 PolarHBondContact NH1-OE1 3.32Å; R453-E589 IonicContact NH1-OE2 3.06Å; R453-E589 PolarHBondContact NH1-OE2 3.29Å; R453-E589 IonicContact NH2-OE1 2.97Å; R453-E589 PolarHBondContact NH2-OE1 2.93Å; R453-E589 IonicContact NH2-OE2 3Å
454	T	97.3	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.6	-167.4	74.4	0	0	0	0	112.1	T451 L503 V507 E511 T512 D515	T451-T454 PolarHBondContact N-O 3.36Å; T451-T454 PolarHBondContact OG1-N 3.15Å; T451-T454 PolarHBondContact OG1-O 2.86Å; T451-T454 PolarHBondContact OG1-OG1 3.28Å; T454-L503 HydrophobicContact CG2-CD2 3.67Å; T454-V507 HydrophobicContact CG2-CG1 3.96Å; T454-E511 HydrophobicContact CG2-CB 3.84Å; T454-E511 HydrophobicContact CG2-CG 3.91Å; T454-T512 WeakPolarHBondContact CB-OG1 3.45Å; T454-D515 PolarHBondContact OG1-OD2 3.39Å
455	I	98.1	Very high	93.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.2	165.7	-61.4	167.1	0	0	0	107	L355 W387 F395 L448 V449 I450 M501 A502	L355-I455 HydrophobicContact CD1-CD1 3.68Å; L355-I455 HydrophobicContact CD1-CG1 4.43Å; L355-I455 HydrophobicContact CD2-CD1 3.67Å; L355-I455 HydrophobicContact CG-CD1 4.33Å; W387-I455 HydrophobicContact CB-CD1 4.48Å; W387-I455 HydrophobicContact CD2-CD1 3.64Å; W387-I455 HydrophobicContact CD2-CG1 4.33Å; W387-I455 HydrophobicContact CE3-CD1 3.97Å; W387-I455 HydrophobicContact CG-CD1 3.89Å; W387-I455 HydrophobicContact CG-CG1 4.45Å; W387-I455 HydrophobicContact CZ2-CD1 4.29Å; W387-I455 HydrophobicContact CZ2-CG1 4.47Å; W387-I455 HydrophobicContact CZ3-CD1 4.44Å; F395-I455 HydrophobicContact CE1-CG2 3.88Å; F395-I455 HydrophobicContact CZ-CG2 4.14Å; L448-I455 HydrophobicContact CD1-CG2 3.94Å; L448-I455 HydrophobicContact CD2-CG2 4.09Å; L448-I455 HydrophobicContact CG-CG2 4.17Å; V449-I455 WeakPolarHBondContact O-CA 3.42Å; I450-I455 HydrophobicContact CG1-CG2 4.45Å; I450-I455 HydrophobicContact CG2-CG1 4.25Å; I455-M501 HydrophobicContact CG2-CB 4.44Å; I455-M501 PolarHBondContact O-N 2.89Å; I455-A502 HydrophobicContact CB-CB 4.16Å; I455-A502 HydrophobicContact CD1-CB 4.11Å; I455-A502 PolarHBondContact N-O 3.27Å; I455-A502 PolarHBondContact O-N 3.13Å
456	G	98.4	Very high	92.6	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.3	-178.1	0	0	0	0	0	114.1	L448 V449 V499	L448-G456 WeakPolarHBondContact CD1-O 3.49Å; V449-G456 PolarHBondContact N-O 2.94Å; V449-G456 PolarHBondContact O-N 2.86Å; G456-V499 CarbonylContact C-O 3.59Å; G456-V499 WeakPolarHBondContact CA-O 3.29Å
457	A	98.4	Very high	91.7	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.3	173.8	0	0	0	0	0	110.7	W350 I445 G447 H498 V499 M501	W350-A457 HydrophobicContact CZ3-CB 4.2Å; I445-A457 HydrophobicContact CD1-CB 4.36Å; I445-A457 HydrophobicContact CG2-CB 4.18Å; G447-A457 WeakPolarHBondContact O-CA 2.82Å; A457-H498 CarbonylContact O-C 3.38Å; A457-H498 WeakPolarHBondContact O-CA 3.11Å; A457-H498 WeakPolarHBondContact O-CB 3.38Å; A457-V499 HydrophobicContact CB-CB 4.31Å; A457-V499 PolarHBondContact N-O 2.7Å; A457-V499 PolarHBondContact O-N 3.1Å; A457-M501 HydrophobicContact CB-CE 3.69Å; A457-M501 HydrophobicContact CB-SD 4.16Å
458	R	98	Very high	91	Very high	29 Å²	29	42.1 Å²	42.1	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.6	172.9	-59.8	-178.9	71.5	173.8	12.9	109.2	I445 T446 G447 V449 L516 E523 D595	I445-R458 WeakPolarHBondContact CA-O 3.31Å; T446-R458 PolarHBondContact N-O 3.07Å; T446-R458 WeakPolarHBondContact OG1-CB 3.47Å; T446-R458 PolarHBondContact OG1-O 3.49Å; G447-R458 PolarHBondContact O-N 2.84Å; V449-R458 HydrophobicContact CG2-CG 3.62Å; R458-L516 HydrophobicContact CG-CD1 3.99Å; R458-E523 IonicContact CZ-OE1 3.76Å; R458-E523 IonicContact CZ-OE2 3.19Å; R458-E523 IonicContact NH1-OE1 2.89Å; R458-E523 PolarHBondContact NH1-OE1 2.9Å; R458-E523 IonicContact NH1-OE2 2.64Å; R458-E523 IonicContact NH2-OE1 2.93Å; R458-E523 PolarHBondContact NH2-OE1 3.01Å; R458-E523 IonicContact NH2-OE2 3.22Å; R458-E523 PolarHBondContact NH2-OE2 3.08Å; R458-D595 IonicContact NH1-OD1 3.61Å; R458-D595 PolarHBondContact NH1-OD1 3.48Å; R458-D595 VanDerWaalsContact NH1-OD1 3.1Å
459	V	97.4	Very high	90.6	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	-177.3	-177.3	0	0	0	0	110	I410 V443 Q444 I445 L461 A497 V499	I410-V459 HydrophobicContact CD1-CB 4.49Å; I410-V459 HydrophobicContact CD1-CG1 3.74Å; I410-V459 HydrophobicContact CD1-CG2 4.16Å; I410-V459 HydrophobicContact CG1-CG1 4.4Å; I410-V459 HydrophobicContact CG1-CG2 4.1Å; V443-V459 HydrophobicContact CB-CG1 4.01Å; V443-V459 HydrophobicContact CG1-CG1 4.41Å; Q444-V459 CarbonylContact O-C 3.56Å; Q444-V459 WeakPolarHBondContact O-CA 3.43Å; I445-V459 HydrophobicContact CD1-CG2 3.77Å; V459-L461 HydrophobicContact CG1-CD2 4.37Å; V459-A497 HydrophobicContact CB-CB 4.03Å; V459-A497 WeakPolarHBondContact CB-O 3.34Å; V459-A497 HydrophobicContact CG1-CB 4.42Å; V459-A497 PolarHBondContact N-O 3.12Å; V459-A497 WeakPolarHBondContact O-CB 3.37Å; V459-V499 HydrophobicContact CG2-CG2 3.98Å
460	K	95.3	Very high	90.3	Very high	128 Å²	128	45.2 Å²	45.2	56%	0.557	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.7	161.5	177.2	170.9	175.8	-175.7	0	108.7	Q444 T446	Q444-K460 HydrophobicContact CB-CB 4.05Å; Q444-K460 PolarHBondContact N-O 3.37Å; Q444-K460 PolarHBondContact O-N 3.48Å; T446-K460 HydrophobicContact CG2-CB 3.84Å
461	L	93.1	Very high	90.2	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	22%	0.217	C	C	.	.			trans	-67	162.3	177.2	-67.2	175.2	0	0	0	110.9	W302 I410 V443 V459 I467 W471 A497	W302-L461 HydrophobicContact CD2-CD2 4.36Å; W302-L461 HydrophobicContact CE3-CD2 3.82Å; W302-L461 HydrophobicContact CH2-CD1 4.1Å; W302-L461 HydrophobicContact CH2-CD2 3.95Å; W302-L461 HydrophobicContact CZ2-CD2 4.49Å; W302-L461 HydrophobicContact CZ3-CD1 4.11Å; W302-L461 HydrophobicContact CZ3-CD2 3.56Å; I410-L461 HydrophobicContact CG2-CD2 4.16Å; V443-L461 HydrophobicContact CG1-CD2 4.43Å; V459-L461 HydrophobicContact CG1-CD2 4.37Å; L461-I467 HydrophobicContact CB-CD1 4.39Å; L461-I467 HydrophobicContact CB-CG1 4.01Å; L461-I467 HydrophobicContact CD1-CG1 4.45Å; L461-W471 HydrophobicContact CD1-CB 4.33Å; L461-W471 HydrophobicContact CD1-CD2 3.6Å; L461-W471 HydrophobicContact CD1-CE3 3.32Å; L461-W471 HydrophobicContact CD1-CG 4.09Å; L461-W471 HydrophobicContact CD1-CH2 4.46Å; L461-W471 HydrophobicContact CD1-CZ3 3.8Å; L461-A497 HydrophobicContact CD1-CB 4.01Å; L461-A497 HydrophobicContact CD2-CB 4.14Å; L461-A497 HydrophobicContact CG-CB 3.78Å
462	P	81.8	Confident	90.1	Very high	24 Å²	24	47 Å²	47	16%	0.156	23%	0.227	C	C	.	.	S	Bend	trans	-62	-177	175.7	-11.3	25	0	0	0	111.9	F441 T442 V443 V466	F441-P462 HydrophobicContact CB-CG 4.05Å; F441-P462 HydrophobicContact CD1-CG 4.1Å; F441-P462 HydrophobicContact CG-CG 4.47Å; T442-P462 WeakPolarHBondContact O-CG 3.17Å; V443-P462 HydrophobicContact CG1-CG 4.4Å; P462-V466 HydrophobicContact CB-CB 4.21Å; P462-V466 HydrophobicContact CB-CG2 3.89Å; P462-V466 HydrophobicContact CG-CB 4.29Å; P462-V466 HydrophobicContact CG-CG1 4.11Å; P462-V466 HydrophobicContact CG-CG2 4.08Å
463	N	79.5	Confident	89.8	Confident	105 Å²	105	46.7 Å²	46.7	56%	0.561	23%	0.226	S	C	*	.	S	Bend	trans	-40.7	161.7	-179.5	64.9	3.1	0	0	0	116.2	E465 V466	N463-E465 PolarHBondContact O-N 3.15Å; N463-V466 WeakPolarHBondContact O-CB 3.39Å; N463-V466 PolarHBondContact O-N 2.67Å
464	D	76.3	Confident	89.6	Confident	135 Å²	135	50 Å²	50	72%	0.722	24%	0.243	S	C	*	.	H	α-helix	trans	-52.9	-26.7	-172.6	-62.2	-21.4	0	0	0	114.9	I467 R468	D464-I467 PolarHBondContact O-N 2.8Å; D464-R468 WeakPolarHBondContact O-CB 3.36Å; D464-R468 PolarHBondContact O-N 2.84Å
465	E	78.3	Confident	89.4	Confident	120 Å²	120	50.5 Å²	50.5	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-62.6	-42.9	175.9	-168.7	-174.2	170.6	0	0	111.9	N463 R468 H469	N463-E465 PolarHBondContact O-N 3.15Å; E465-R468 PolarHBondContact O-N 3.3Å; E465-H469 WeakPolarHBondContact O-CB 3.47Å; E465-H469 PolarHBondContact O-CD2 3Å; E465-H469 VanDerWaalsContact O-CD2 3.27Å; E465-H469 PolarHBondContact O-N 3.22Å
466	V	77.3	Confident	89.2	Confident	7 Å²	7	55 Å²	55	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-47.3	177.4	176.2	0	0	0	0	110.4	W302 F441 P462 N463 R468 H469 L470 W471	W302-V466 HydrophobicContact CH2-CG1 4.09Å; W302-V466 HydrophobicContact CZ2-CG1 3.38Å; F441-V466 HydrophobicContact CD1-CG2 3.64Å; F441-V466 HydrophobicContact CE1-CG1 4.45Å; F441-V466 HydrophobicContact CE1-CG2 3.38Å; F441-V466 HydrophobicContact CZ-CG2 4.46Å; P462-V466 HydrophobicContact CB-CB 4.21Å; P462-V466 HydrophobicContact CB-CG2 3.89Å; P462-V466 HydrophobicContact CG-CB 4.29Å; P462-V466 HydrophobicContact CG-CG1 4.11Å; P462-V466 HydrophobicContact CG-CG2 4.08Å; N463-V466 WeakPolarHBondContact O-CB 3.39Å; N463-V466 PolarHBondContact O-N 2.67Å; V466-R468 VanDerWaalsContact C-N 3.34Å; V466-R468 PolarHBondContact O-N 3.12Å; V466-H469 PolarHBondContact O-N 2.83Å; V466-L470 HydrophobicContact CG1-CB 4.46Å; V466-L470 HydrophobicContact CG1-CD1 4.32Å; V466-L470 WeakPolarHBondContact O-CA 3.45Å; V466-L470 WeakPolarHBondContact O-CB 3.28Å; V466-L470 PolarHBondContact O-N 3.32Å; V466-W471 PolarHBondContact O-N 2.98Å
467	I	78.3	Confident	88.9	Confident	33 Å²	33	58 Å²	58	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-45	178.3	-62.9	177.4	0	0	0	110.1	L461 D464 H469 W471 T493	L461-I467 HydrophobicContact CB-CD1 4.39Å; L461-I467 HydrophobicContact CB-CG1 4.01Å; L461-I467 HydrophobicContact CD1-CG1 4.45Å; D464-I467 PolarHBondContact O-N 2.8Å; I467-H469 PolarHBondContact O-N 2.7Å; I467-W471 VanDerWaalsContact O-CB 3.28Å; I467-W471 WeakPolarHBondContact O-CB 3.34Å; I467-T493 HydrophobicContact CG2-CG2 3.37Å
468	R	83.7	Confident	88.4	Confident	193 Å²	193	63.3 Å²	63.3	73%	0.728	31%	0.313	S	S	*	.	H	α-helix	trans	-65.9	-36.8	-177.7	-175.1	177.7	-177.7	-176.5	2	113.5	D464 E465 V466	D464-R468 WeakPolarHBondContact O-CB 3.36Å; D464-R468 PolarHBondContact O-N 2.84Å; E465-R468 PolarHBondContact O-N 3.3Å; V466-R468 VanDerWaalsContact C-N 3.34Å; V466-R468 PolarHBondContact O-N 3.12Å
469	H	87.7	Confident	88	Confident	69 Å²	69	62.5 Å²	62.5	32%	0.319	31%	0.311	S	S	.	.	H	α-helix	trans	-111.9	-23.3	-166.2	-66.3	-59.5	0	0	0	115.2	S431 E465 V466 I467	S431-H469 PolarHBondContact OG-O 3.4Å; S431-H469 VanDerWaalsContact OG-O 3.12Å; E465-H469 WeakPolarHBondContact O-CB 3.47Å; E465-H469 PolarHBondContact O-CD2 3Å; E465-H469 VanDerWaalsContact O-CD2 3.27Å; E465-H469 PolarHBondContact O-N 3.22Å; V466-H469 PolarHBondContact O-N 2.83Å; I467-H469 PolarHBondContact O-N 2.7Å
470	L	93.5	Very high	87.4	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-28.4	-177.2	-59.3	-178.9	0	0	0	112.9	W302 Y426 V432 N435 F441 V466 F606	W302-L470 HydrophobicContact CH2-CB 4.25Å; W302-L470 HydrophobicContact CZ2-CB 3.9Å; W302-L470 HydrophobicContact CZ2-CD1 4.23Å; Y426-L470 VanDerWaalsContact CE2-O 3.31Å; Y426-L470 WeakPolarHBondContact CE2-O 3.41Å; Y426-L470 PolarHBondContact OH-O 3.11Å; V432-L470 HydrophobicContact CG2-CD2 3.95Å; N435-L470 HydrophobicContact CB-CD1 4.24Å; N435-L470 HydrophobicContact CB-CD2 4.23Å; F441-L470 HydrophobicContact CE1-CD1 4.23Å; F441-L470 HydrophobicContact CE2-CD1 4.22Å; F441-L470 HydrophobicContact CZ-CD1 3.59Å; V466-L470 HydrophobicContact CG1-CB 4.46Å; V466-L470 HydrophobicContact CG1-CD1 4.32Å; V466-L470 WeakPolarHBondContact O-CA 3.45Å; V466-L470 WeakPolarHBondContact O-CB 3.28Å; V466-L470 PolarHBondContact O-N 3.32Å; L470-F606 HydrophobicContact CB-CE2 4.18Å; L470-F606 HydrophobicContact CB-CZ 4.43Å; L470-F606 HydrophobicContact CD1-CD2 4.25Å; L470-F606 HydrophobicContact CD1-CE2 4.48Å; L470-F606 HydrophobicContact CD1-CG 4.27Å; L470-F606 HydrophobicContact CD2-CE1 4.12Å; L470-F606 HydrophobicContact CD2-CZ 4.12Å
471	W	95.2	Very high	86.3	Confident	14 Å²	14	60.3 Å²	60.3	5%	0.053	31%	0.308	C	S	.	.			trans	-75.3	130.3	176.6	-169.2	-109.6	0	0	0	111.5	W302 I410 T411 A412 L461 V466 I467 A473 D475 R496 A497	W302-W471 AromaticContact CH2-CE3 4Å; W302-W471 HydrophobicContact CH2-CE3 4Å; W302-W471 AromaticContact CZ3-CE3 3.65Å; W302-W471 HydrophobicContact CZ3-CE3 3.65Å; W302-W471 AromaticContact CZ3-CZ3 3.86Å; W302-W471 HydrophobicContact CZ3-CZ3 3.86Å; I410-W471 HydrophobicContact CG2-CZ3 4.15Å; T411-W471 WeakPolarHBondContact O-CH2 3.37Å; T411-W471 WeakPolarHBondContact O-CZ3 3.4Å; A412-W471 HydrophobicContact CB-CE3 4.2Å; L461-W471 HydrophobicContact CD1-CB 4.33Å; L461-W471 HydrophobicContact CD1-CD2 3.6Å; L461-W471 HydrophobicContact CD1-CE3 3.32Å; L461-W471 HydrophobicContact CD1-CG 4.09Å; L461-W471 HydrophobicContact CD1-CH2 4.46Å; L461-W471 HydrophobicContact CD1-CZ3 3.8Å; V466-W471 PolarHBondContact O-N 2.98Å; I467-W471 VanDerWaalsContact O-CB 3.28Å; I467-W471 WeakPolarHBondContact O-CB 3.34Å; W471-A473 HydrophobicContact CD2-CB 4.26Å; W471-A473 HydrophobicContact CH2-CB 3.76Å; W471-A473 HydrophobicContact CZ2-CB 3.32Å; W471-A473 HydrophobicContact CZ3-CB 4.41Å; W471-D475 VanDerWaalsContact NE1-CG 3.29Å; W471-D475 PolarHBondContact NE1-OD1 3.28Å; W471-D475 VanDerWaalsContact NE1-OD1 3.08Å; W471-D475 PolarHBondContact NE1-OD2 2.97Å; W471-R496 HydrophobicContact CZ2-CB 4.09Å; W471-A497 VanDerWaalsContact CH2-CA 3.46Å; W471-A497 HydrophobicContact CH2-CB 3.6Å; W471-A497 HydrophobicContact CZ2-CB 4.08Å; W471-A497 HydrophobicContact CZ3-CB 4.02Å
472	A	94.1	Very high	85	Confident	27 Å²	27	66.7 Å²	66.7	22%	0.223	34%	0.343	C	S	.	.			trans	-151.1	32	175.2	0	0	0	0	0	112.2	A412 K413 Y426	A412-A472 CarbonylContact O-C 3.48Å; A412-A472 WeakPolarHBondContact O-CA 3.45Å; A412-A472 PolarHBondContact O-N 3.48Å; K413-A472 HydrophobicContact CB-CB 4.23Å; K413-A472 HydrophobicContact CD-CB 4.05Å; K413-A472 WeakPolarHBondContact CD-O 3.45Å; K413-A472 HydrophobicContact CG-CB 4.49Å; Y426-A472 HydrophobicContact CD2-CB 3.42Å; Y426-A472 VanDerWaalsContact CD2-CB 3.42Å; Y426-A472 HydrophobicContact CE2-CB 3.37Å
473	A	88.8	Confident	84	Confident	27 Å²	27	72.8 Å²	72.8	22%	0.223	37%	0.374	C	S	.	.	S	Bend	trans	-75.1	158.3	169.5	0	0	0	0	0	109.7	A412 W471 D475	A412-A473 PolarHBondContact O-N 3.15Å; W471-A473 HydrophobicContact CD2-CB 4.26Å; W471-A473 HydrophobicContact CH2-CB 3.76Å; W471-A473 HydrophobicContact CZ2-CB 3.32Å; W471-A473 HydrophobicContact CZ3-CB 4.41Å; A473-D475 VanDerWaalsContact C-N 3.3Å; A473-D475 PolarHBondContact O-N 3.46Å
474	E	91.9	Very high	83.5	Confident	112 Å²	112	69.5 Å²	69.5	52%	0.523	36%	0.356	S	S	.	.			trans	-83.9	76	-177.9	-62.8	174.4	-161.5	0	0	109.4	Q476 E477 R496	E474-Q476 PolarHBondContact O-N 3.2Å; E474-E477 HydrophobicContact CB-CB 4.2Å; E474-E477 WeakPolarHBondContact O-CB 3.48Å; E474-E477 PolarHBondContact O-N 3.34Å; E474-R496 PolarHBondContact O-NH1 3.49Å
475	D	93.4	Very high	83.1	Confident	10 Å²	10	65.1 Å²	65.1	5%	0.053	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23	179.8	-66.8	-28.7	0	0	0	112.4	W471 A473 R491 T493 G494 R496 L517	W471-D475 VanDerWaalsContact NE1-CG 3.29Å; W471-D475 PolarHBondContact NE1-OD1 3.28Å; W471-D475 VanDerWaalsContact NE1-OD1 3.08Å; W471-D475 PolarHBondContact NE1-OD2 2.97Å; A473-D475 VanDerWaalsContact C-N 3.3Å; A473-D475 PolarHBondContact O-N 3.46Å; D475-R491 WeakPolarHBondContact O-CD 3.35Å; D475-R491 PolarHBondContact O-NH1 3.5Å; D475-T493 WeakPolarHBondContact OD2-CA 3.06Å; D475-G494 PolarHBondContact OD2-N 2.75Å; D475-R496 WeakPolarHBondContact OD1-CB 3.35Å; D475-R496 PolarHBondContact OD1-N 3.02Å; D475-L517 WeakPolarHBondContact O-CD2 3.41Å
476	Q	93.1	Very high	82.9	Confident	95 Å²	95	60.3 Å²	60.3	44%	0.444	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	15.6	180	-52.1	-55.6	-40.8	0	0	112.8	E474 V478 R491	E474-Q476 PolarHBondContact O-N 3.2Å; Q476-V478 PolarHBondContact O-N 3.29Å; Q476-R491 PolarHBondContact NE2-O 2.97Å
477	E	91.1	Very high	82.5	Confident	67 Å²	67	66.5 Å²	66.5	31%	0.313	35%	0.351	S	S	.	.			trans	-60.3	132.8	173.8	-169.8	172.6	172.7	0	0	109.9	E474 V479 R491 R496 L514 L517	E474-E477 HydrophobicContact CB-CB 4.2Å; E474-E477 WeakPolarHBondContact O-CB 3.48Å; E474-E477 PolarHBondContact O-N 3.34Å; E477-V479 PolarHBondContact O-N 3.08Å; E477-R491 PolarHBondContact O-NH1 3.49Å; E477-R491 PolarHBondContact O-NH2 2.72Å; E477-R496 IonicContact OE2-CZ 3.18Å; E477-R496 IonicContact OE2-NH1 2.82Å; E477-R496 PolarHBondContact OE2-NH1 3.33Å; E477-R496 IonicContact OE2-NH2 3.59Å; E477-R496 PolarHBondContact OE2-NH2 3.33Å; E477-L514 VanDerWaalsContact CD-CD2 3.48Å; E477-L514 HydrophobicContact CG-CD2 4.24Å; E477-L514 WeakPolarHBondContact OE2-CD2 3.36Å; E477-L517 HydrophobicContact CB-CD1 4.08Å
478	V	88.7	Confident	82.2	Confident	112 Å²	112	70.7 Å²	70.7	68%	0.679	38%	0.38	S	S	*	.			trans	-76.5	120.2	-178.3	178.2	0	0	0	0	108.9	Q476 F480	Q476-V478 PolarHBondContact O-N 3.29Å; V478-F480 VanDerWaalsContact CG1-O 3.22Å; V478-F480 WeakPolarHBondContact CG1-O 3.23Å
479	V	89	Confident	82	Confident	12 Å²	12	63.1 Å²	63.1	7%	0.073	36%	0.355	C	S	.	.			trans	-112.2	-12.3	-176.3	-62.7	0	0	0	0	113.9	E477 L514 L517 R518 D521 V548	E477-V479 PolarHBondContact O-N 3.08Å; V479-L514 HydrophobicContact CG1-CB 4.48Å; V479-L514 HydrophobicContact CG1-CD2 4.05Å; V479-L517 HydrophobicContact CG1-CB 3.82Å; V479-L517 HydrophobicContact CG1-CD1 3.97Å; V479-L517 HydrophobicContact CG2-CB 4.28Å; V479-R518 HydrophobicContact CB-CG 3.58Å; V479-R518 HydrophobicContact CG1-CG 4.38Å; V479-R518 HydrophobicContact CG2-CB 4.38Å; V479-R518 HydrophobicContact CG2-CG 3.41Å; V479-R518 VanDerWaalsContact CG2-CG 3.41Å; V479-D521 VanDerWaalsContact CG2-OD2 3.26Å; V479-D521 WeakPolarHBondContact CG2-OD2 3.31Å; V479-V548 VanDerWaalsContact O-CG2 3.3Å; V479-V548 WeakPolarHBondContact O-CG2 3.29Å
480	F	84.9	Confident	82	Confident	16 Å²	16	66.6 Å²	66.6	7%	0.07	38%	0.376	C	S	.	.	S	Bend	trans	-123.5	137.7	170.5	-64.4	-70.8	0	0	0	109.8	V478 I484 I486 R518 D521 M522 I545 P546 V548	V478-F480 VanDerWaalsContact CG1-O 3.22Å; V478-F480 WeakPolarHBondContact CG1-O 3.23Å; F480-I484 HydrophobicContact CD1-CD1 4.45Å; F480-I486 HydrophobicContact CB-CD1 4.3Å; F480-I486 HydrophobicContact CD1-CD1 3.66Å; F480-I486 HydrophobicContact CD2-CB 4.47Å; F480-I486 HydrophobicContact CD2-CD1 3.56Å; F480-I486 HydrophobicContact CD2-CG2 4.14Å; F480-I486 HydrophobicContact CE1-CD1 3.75Å; F480-I486 HydrophobicContact CE2-CD1 3.65Å; F480-I486 HydrophobicContact CE2-CG2 4.48Å; F480-I486 HydrophobicContact CG-CD1 3.56Å; F480-I486 HydrophobicContact CZ-CD1 3.74Å; F480-R518 HydrophobicContact CE1-CG 4.22Å; F480-R518 HydrophobicContact CE2-CB 3.95Å; F480-R518 HydrophobicContact CE2-CG 3.84Å; F480-R518 HydrophobicContact CZ-CB 3.67Å; F480-R518 HydrophobicContact CZ-CG 3.63Å; F480-D521 HydrophobicContact CD2-CB 4.33Å; F480-D521 WeakPolarHBondContact CD2-OD2 3.39Å; F480-D521 HydrophobicContact CE2-CB 3.92Å; F480-M522 HydrophobicContact CE2-CE 3.8Å; F480-M522 HydrophobicContact CZ-CE 4Å; F480-I545 HydrophobicContact CE1-CG2 3.46Å; F480-I545 VanDerWaalsContact CE1-CG2 3.46Å; F480-I545 HydrophobicContact CZ-CG2 3.38Å; F480-P546 HydrophobicContact CE1-CB 4.49Å; F480-V548 HydrophobicContact CD1-CG2 4.15Å; F480-V548 HydrophobicContact CE1-CG2 4.32Å
481	P	73.3	Confident	82	Confident	77 Å²	77	67.1 Å²	67.1	50%	0.5	38%	0.378	S	S	.	.			trans	-66.1	151.8	168.8	26	-33.1	0	0	0	111.4	N483 I484	P481-N483 PolarHBondContact O-N 3.12Å; P481-I484 HydrophobicContact CG-CD1 3.48Å; P481-I484 VanDerWaalsContact CG-CD1 3.48Å; P481-I484 HydrophobicContact CG-CG1 3.9Å; P481-I484 PolarHBondContact O-N 2.95Å
482	D	66.3	Low	81.8	Confident	143 Å²	143	70.1 Å²	70.1	77%	0.765	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.3	-169	-61.5	-36.5	0	0	0	115.6
483	N	59.9	Low	81.8	Confident	152 Å²	152	73 Å²	73	81%	0.813	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	10.6	-170.3	-65.4	-23.3	0	0	0	115	P481	P481-N483 PolarHBondContact O-N 3.12Å
484	I	69.7	Low	82	Confident	35 Å²	35	72.1 Å²	72.1	18%	0.179	41%	0.408	C	S	.	.	S	Bend	trans	-93.9	0.5	-172.6	-65.5	-168.7	0	0	0	113.5	F480 P481 I486 P546	F480-I484 HydrophobicContact CD1-CD1 4.45Å; P481-I484 HydrophobicContact CG-CD1 3.48Å; P481-I484 VanDerWaalsContact CG-CD1 3.48Å; P481-I484 HydrophobicContact CG-CG1 3.9Å; P481-I484 PolarHBondContact O-N 2.95Å; I484-I486 VanDerWaalsContact C-N 3.25Å; I484-I486 HydrophobicContact CG2-CD1 3.69Å; I484-I486 HydrophobicContact CG2-CG1 4.11Å; I484-I486 PolarHBondContact O-N 3.2Å; I484-P546 HydrophobicContact CD1-CB 4.01Å; I484-P546 HydrophobicContact CG2-CB 3.65Å; I484-P546 HydrophobicContact CG2-CG 3.32Å
485	G	67.7	Low	82.1	Confident	44 Å²	44	67.9 Å²	67.9	45%	0.454	39%	0.39	S	S	.	.	S	Bend	trans	71.2	22.8	178.5	0	0	0	0	0	113.6
486	I	73.5	Confident	82.3	Confident	18 Å²	18	68.8 Å²	68.8	9%	0.092	39%	0.393	C	S	.	.			trans	-106.2	118.1	169.8	-58.2	166.7	0	0	0	105.1	F480 I484 D521 M522 P546	F480-I486 HydrophobicContact CB-CD1 4.3Å; F480-I486 HydrophobicContact CD1-CD1 3.66Å; F480-I486 HydrophobicContact CD2-CB 4.47Å; F480-I486 HydrophobicContact CD2-CD1 3.56Å; F480-I486 HydrophobicContact CD2-CG2 4.14Å; F480-I486 HydrophobicContact CE1-CD1 3.75Å; F480-I486 HydrophobicContact CE2-CD1 3.65Å; F480-I486 HydrophobicContact CE2-CG2 4.48Å; F480-I486 HydrophobicContact CG-CD1 3.56Å; F480-I486 HydrophobicContact CZ-CD1 3.74Å; I484-I486 VanDerWaalsContact C-N 3.25Å; I484-I486 HydrophobicContact CG2-CD1 3.69Å; I484-I486 HydrophobicContact CG2-CG1 4.11Å; I484-I486 PolarHBondContact O-N 3.2Å; I486-D521 HydrophobicContact CG2-CB 4.23Å; I486-M522 HydrophobicContact CB-CE 4.27Å; I486-M522 HydrophobicContact CD1-CE 3.24Å; I486-M522 HydrophobicContact CD1-SD 4.47Å; I486-M522 HydrophobicContact CG1-CE 3.61Å; I486-M522 HydrophobicContact CG2-CE 3.67Å; I486-P546 HydrophobicContact CD1-CG 4.4Å
487	M	69.6	Low	82.5	Confident	138 Å²	138	64.2 Å²	64.2	68%	0.68	37%	0.372	S	S	*	.			trans	-71.4	138.6	-176.8	-58.7	-152.9	84.5	0	0	109.4	V489 N525	M487-V489 PolarHBondContact O-N 2.78Å; M487-V489 VanDerWaalsContact O-N 3.14Å; M487-N525 PolarHBondContact N-OD1 3.48Å; M487-N525 VanDerWaalsContact N-OD1 3.16Å; M487-N525 PolarHBondContact O-ND2 3.22Å
488	P	72.1	Confident	82.8	Confident	120 Å²	120	62.4 Å²	62.4	78%	0.779	36%	0.363	S	S	*	.			trans	-54.8	121.2	168.2	-23.9	33.3	0	0	0	109.4
489	V	78.2	Confident	83.3	Confident	35 Å²	35	57 Å²	57	21%	0.212	33%	0.331	C	S	.	.			trans	-115.8	138.5	-179.7	-74.8	0	0	0	0	109.4	M487 R491 D521 L524	M487-V489 PolarHBondContact O-N 2.78Å; M487-V489 VanDerWaalsContact O-N 3.14Å; V489-R491 HydrophobicContact CG2-CG 4.34Å; V489-R491 PolarHBondContact O-N 3.47Å; V489-R491 VanDerWaalsContact O-N 3.15Å; V489-D521 HydrophobicContact CG2-CB 4.5Å; V489-D521 WeakPolarHBondContact CG2-OD1 3.48Å; V489-L524 HydrophobicContact CB-CB 4.13Å; V489-L524 HydrophobicContact CB-CD1 3.99Å; V489-L524 HydrophobicContact CG1-CB 4.03Å; V489-L524 HydrophobicContact CG2-CB 3.97Å; V489-L524 HydrophobicContact CG2-CD1 3.69Å; V489-L524 HydrophobicContact CG2-CG 4.49Å
490	N	88.4	Confident	83.7	Confident	141 Å²	141	57.4 Å²	57.4	75%	0.754	33%	0.333	S	S	*	.			trans	-75.4	103.9	171.2	-172.5	12.6	0	0	0	108.3
491	R	92.6	Very high	84.3	Confident	15 Å²	15	56.6 Å²	56.6	6%	0.057	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-74.5	146.3	-175.5	-58.2	-173.3	-164.4	104.7	6.8	111.4	D475 Q476 E477 V489 V520 D521 L524	D475-R491 WeakPolarHBondContact O-CD 3.35Å; D475-R491 PolarHBondContact O-NH1 3.5Å; Q476-R491 PolarHBondContact NE2-O 2.97Å; E477-R491 PolarHBondContact O-NH1 3.49Å; E477-R491 PolarHBondContact O-NH2 2.72Å; V489-R491 HydrophobicContact CG2-CG 4.34Å; V489-R491 PolarHBondContact O-N 3.47Å; V489-R491 VanDerWaalsContact O-N 3.15Å; R491-V520 HydrophobicContact CB-CG1 4.34Å; R491-V520 HydrophobicContact CG-CG1 4.08Å; R491-D521 IonicContact CZ-OD1 3.47Å; R491-D521 VanDerWaalsContact CZ-OD1 3.23Å; R491-D521 IonicContact CZ-OD2 3.78Å; R491-D521 IonicContact NE-OD1 3.28Å; R491-D521 PolarHBondContact NE-OD1 2.89Å; R491-D521 IonicContact NE-OD2 2.69Å; R491-D521 IonicContact NH2-OD1 2.76Å; R491-D521 PolarHBondContact NH2-OD1 3.12Å; R491-D521 IonicContact NH2-OD2 2.87Å; R491-D521 PolarHBondContact NH2-OD2 3.2Å; R491-L524 HydrophobicContact CB-CD1 4.42Å; R491-L524 HydrophobicContact CG-CD1 4.07Å
492	P	92.1	Very high	85.5	Confident	76 Å²	76	53 Å²	53	49%	0.494	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.7	142.4	175	24.9	-30.2	0	0	0	111.1	G494 C495	P492-G494 PolarHBondContact O-N 2.88Å; P492-C495 HydrophobicContact CG-CB 4.13Å; P492-C495 VanDerWaalsContact O-CB 3.23Å; P492-C495 WeakPolarHBondContact O-CB 3.33Å; P492-C495 PolarHBondContact O-N 2.63Å; P492-C495 PolarHBondContact O-SG 2.95Å
493	T	92.8	Very high	87	Confident	88 Å²	88	46.4 Å²	46.4	54%	0.54	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136.2	177.9	-45.9	0	0	0	0	111	I467 D475 C495	I467-T493 HydrophobicContact CG2-CG2 3.37Å; D475-T493 WeakPolarHBondContact OD2-CA 3.06Å; T493-C495 VanDerWaalsContact C-N 3.35Å
494	G	94.2	Very high	88.7	Confident	9 Å²	9	39.6 Å²	39.6	9%	0.093	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-4.3	-177.9	0	0	0	0	0	114.3	D475 P492 R496 A497	D475-G494 PolarHBondContact OD2-N 2.75Å; P492-G494 PolarHBondContact O-N 2.88Å; G494-R496 PolarHBondContact O-N 3.26Å; G494-R496 VanDerWaalsContact O-N 3.16Å; G494-A497 WeakPolarHBondContact O-CB 3.47Å; G494-A497 PolarHBondContact O-N 3.37Å
495	C	94.8	Very high	89.8	Confident	23 Å²	23	42.3 Å²	42.3	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.4	-177.7	66.2	0	0	0	0	114.2	P492 T493 A497 L516 V520	P492-C495 HydrophobicContact CG-CB 4.13Å; P492-C495 VanDerWaalsContact O-CB 3.23Å; P492-C495 WeakPolarHBondContact O-CB 3.33Å; P492-C495 PolarHBondContact O-N 2.63Å; P492-C495 PolarHBondContact O-SG 2.95Å; T493-C495 VanDerWaalsContact C-N 3.35Å; C495-A497 VanDerWaalsContact C-N 3.31Å; C495-L516 VanDerWaalsContact O-CD2 3.25Å; C495-L516 WeakPolarHBondContact O-CD2 3.35Å; C495-L516 WeakPolarHBondContact O-CG 3.38Å; C495-V520 HydrophobicContact CB-CG1 4.23Å; C495-V520 HydrophobicContact CB-CG2 4.09Å
496	R	96.4	Very high	91	Very high	28 Å²	28	43.3 Å²	43.3	11%	0.106	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.1	174.5	-163.3	179.1	-180	168.3	2	113.1	W471 E474 D475 E477 G494 H498 L517	W471-R496 HydrophobicContact CZ2-CB 4.09Å; E474-R496 PolarHBondContact O-NH1 3.49Å; D475-R496 WeakPolarHBondContact OD1-CB 3.35Å; D475-R496 PolarHBondContact OD1-N 3.02Å; E477-R496 IonicContact OE2-CZ 3.18Å; E477-R496 IonicContact OE2-NH1 2.82Å; E477-R496 PolarHBondContact OE2-NH1 3.33Å; E477-R496 IonicContact OE2-NH2 3.59Å; E477-R496 PolarHBondContact OE2-NH2 3.33Å; G494-R496 PolarHBondContact O-N 3.26Å; G494-R496 VanDerWaalsContact O-N 3.16Å; R496-H498 PolarHBondContact O-N 2.65Å; R496-H498 PolarHBondContact O-ND1 3.46Å; R496-L517 HydrophobicContact CB-CD2 3.93Å; R496-L517 HydrophobicContact CB-CG 4.39Å; R496-L517 HydrophobicContact CG-CD1 4.43Å; R496-L517 HydrophobicContact CG-CD2 4.19Å; R496-L517 HydrophobicContact CG-CG 4.1Å
497	A	97.4	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.266	C	S	.	.			trans	-66.1	121.6	-179.2	0	0	0	0	0	111.6	I410 V459 L461 W471 G494 C495	I410-A497 HydrophobicContact CG2-CB 4.15Å; V459-A497 HydrophobicContact CB-CB 4.03Å; V459-A497 WeakPolarHBondContact CB-O 3.34Å; V459-A497 HydrophobicContact CG1-CB 4.42Å; V459-A497 PolarHBondContact N-O 3.12Å; V459-A497 WeakPolarHBondContact O-CB 3.37Å; L461-A497 HydrophobicContact CD1-CB 4.01Å; L461-A497 HydrophobicContact CD2-CB 4.14Å; L461-A497 HydrophobicContact CG-CB 3.78Å; W471-A497 VanDerWaalsContact CH2-CA 3.46Å; W471-A497 HydrophobicContact CH2-CB 3.6Å; W471-A497 HydrophobicContact CZ2-CB 4.08Å; W471-A497 HydrophobicContact CZ3-CB 4.02Å; G494-A497 WeakPolarHBondContact O-CB 3.47Å; G494-A497 PolarHBondContact O-N 3.37Å; C495-A497 VanDerWaalsContact C-N 3.31Å
498	H	98.1	Very high	93.2	Very high	28 Å²	28	39.6 Å²	39.6	13%	0.13	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.3	-176.5	64.8	-79.6	0	0	0	111.6	A457 R496 T500 T512 G513 L516	A457-H498 CarbonylContact O-C 3.38Å; A457-H498 WeakPolarHBondContact O-CA 3.11Å; A457-H498 WeakPolarHBondContact O-CB 3.38Å; R496-H498 PolarHBondContact O-N 2.65Å; R496-H498 PolarHBondContact O-ND1 3.46Å; H498-T500 PolarHBondContact CD2-OG1 3.14Å; H498-T500 PolarHBondContact NE2-OG1 3.5Å; H498-T512 VanDerWaalsContact CD2-CG2 3.46Å; H498-T512 WeakPolarHBondContact CD2-CG2 3.43Å; H498-G513 WeakPolarHBondContact CE1-CA 3.48Å; H498-G513 PolarHBondContact CE1-N 2.79Å; H498-L516 HydrophobicContact CB-CD2 4.03Å
499	V	97.9	Very high	94.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.6	163	179.8	0	0	0	0	107.9	W304 L347 P408 I410 G456 A457 V459	W304-V499 HydrophobicContact CH2-CG2 3.8Å; W304-V499 HydrophobicContact CZ3-CG2 3.65Å; L347-V499 HydrophobicContact CD2-CG1 4.44Å; P408-V499 HydrophobicContact CB-CG1 3.84Å; I410-V499 HydrophobicContact CD1-CG2 4.46Å; I410-V499 HydrophobicContact CG1-CG2 3.69Å; G456-V499 CarbonylContact C-O 3.59Å; G456-V499 WeakPolarHBondContact CA-O 3.29Å; A457-V499 HydrophobicContact CB-CB 4.31Å; A457-V499 PolarHBondContact N-O 2.7Å; A457-V499 PolarHBondContact O-N 3.1Å; V459-V499 HydrophobicContact CG2-CG2 3.98Å
500	T	98.2	Very high	95.1	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.3	174.5	-61.8	0	0	0	0	109.9	A390 T391 H498 L503 P509 T512	A390-T500 HydrophobicContact CB-CG2 3.9Å; T391-T500 WeakPolarHBondContact CG2-O 3.44Å; H498-T500 PolarHBondContact CD2-OG1 3.14Å; H498-T500 PolarHBondContact NE2-OG1 3.5Å; T500-L503 HydrophobicContact CG2-CD1 4.11Å; T500-L503 HydrophobicContact CG2-CD2 3.69Å; T500-L503 HydrophobicContact CG2-CG 3.84Å; T500-P509 HydrophobicContact CG2-CB 4.37Å; T500-P509 PolarHBondContact OG1-O 3.3Å; T500-T512 WeakPolarHBondContact CG2-OG1 2.98Å; T500-T512 VanDerWaalsContact OG1-CB 3.27Å; T500-T512 WeakPolarHBondContact OG1-CB 3.37Å; T500-T512 PolarHBondContact OG1-OG1 2.94Å
501	M	97.6	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-43.2	-174.3	-73.1	173.8	163.3	0	0	112.2	L347 L348 W350 A390 F395 L448 I455 A457	L347-M501 HydrophobicContact CD1-CE 3.7Å; L347-M501 HydrophobicContact CD2-CE 4.32Å; L347-M501 HydrophobicContact CG-CE 3.7Å; L348-M501 HydrophobicContact CD2-CG 4.45Å; W350-M501 HydrophobicContact CZ3-CE 4.27Å; A390-M501 PolarHBondContact N-O 2.62Å; F395-M501 HydrophobicContact CB-CB 4.43Å; F395-M501 WeakPolarHBondContact CB-O 3.44Å; F395-M501 HydrophobicContact CD1-CB 3.8Å; F395-M501 HydrophobicContact CD2-CB 3.69Å; F395-M501 HydrophobicContact CD2-CG 3.9Å; F395-M501 HydrophobicContact CD2-SD 3.95Å; F395-M501 HydrophobicContact CE1-CB 3.85Å; F395-M501 HydrophobicContact CE2-CB 3.78Å; F395-M501 HydrophobicContact CE2-CE 4.18Å; F395-M501 HydrophobicContact CE2-CG 3.84Å; F395-M501 HydrophobicContact CE2-SD 3.28Å; F395-M501 WeakPolarHBondContact CE2-SD 3.32Å; F395-M501 HydrophobicContact CG-CB 3.69Å; F395-M501 HydrophobicContact CG-CG 4.4Å; F395-M501 HydrophobicContact CZ-CB 3.85Å; F395-M501 HydrophobicContact CZ-CG 4.26Å; F395-M501 HydrophobicContact CZ-SD 3.62Å; L448-M501 HydrophobicContact CD1-SD 3.77Å; I455-M501 HydrophobicContact CG2-CB 4.44Å; I455-M501 PolarHBondContact O-N 2.89Å; A457-M501 HydrophobicContact CB-CE 3.69Å; A457-M501 HydrophobicContact CB-SD 4.16Å
502	A	98	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.9	175.9	0	0	0	0	0	112	W387 E388 F395 L399 I455	W387-A502 HydrophobicContact CB-CB 4Å; E388-A502 CarbonylContact O-C 3.56Å; E388-A502 VanDerWaalsContact O-CA 3.25Å; E388-A502 WeakPolarHBondContact O-CA 3.31Å; E388-A502 WeakPolarHBondContact O-CB 3.36Å; F395-A502 HydrophobicContact CD1-CB 3.94Å; F395-A502 HydrophobicContact CE1-CB 4.47Å; L399-A502 HydrophobicContact CD1-CB 4.5Å; I455-A502 HydrophobicContact CB-CB 4.16Å; I455-A502 HydrophobicContact CD1-CB 4.11Å; I455-A502 PolarHBondContact N-O 3.27Å; I455-A502 PolarHBondContact O-N 3.13Å
503	L	97.7	Very high	95.9	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139	-172.6	-66.1	169.2	0	0	0	110	W387 E388 A390 R453 T454 T500 V507 P509	W387-L503 CarbonylContact C-O 3.4Å; E388-L503 PolarHBondContact N-O 3.47Å; E388-L503 PolarHBondContact O-N 3.06Å; A390-L503 HydrophobicContact CB-CD1 3.84Å; A390-L503 HydrophobicContact CB-CG 3.97Å; R453-L503 CarbonylContact O-C 3.56Å; R453-L503 WeakPolarHBondContact O-CA 2.93Å; T454-L503 HydrophobicContact CG2-CD2 3.67Å; T500-L503 HydrophobicContact CG2-CD1 4.11Å; T500-L503 HydrophobicContact CG2-CD2 3.69Å; T500-L503 HydrophobicContact CG2-CG 3.84Å; L503-V507 HydrophobicContact CD2-CG1 4.17Å; L503-P509 HydrophobicContact CD1-CB 4.13Å; L503-P509 HydrophobicContact CD1-CG 3.72Å
504	A	95.9	Very high	96.1	Very high	9 Å²	9	24.6 Å²	24.6	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	155	167.3	0	0	0	0	0	110.2	R453 G506 V507	R453-A504 PolarHBondContact O-N 3.38Å; A504-G506 PolarHBondContact O-N 3.12Å; A504-V507 HydrophobicContact CB-CG2 3.89Å; A504-V507 WeakPolarHBondContact O-CB 3.28Å; A504-V507 WeakPolarHBondContact O-CG2 3.4Å; A504-V507 PolarHBondContact O-N 3.41Å
505	T	93.8	Very high	96.1	Very high	92 Å²	92	24.2 Å²	24.2	56%	0.564	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	123.6	-174.8	-63.8	0	0	0	0	111.7	V507	T505-V507 VanDerWaalsContact C-N 3.3Å; T505-V507 PolarHBondContact O-N 3.37Å
506	G	92	Very high	96.2	Very high	65 Å²	65	23.3 Å²	23.3	67%	0.67	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-0.8	177.4	0	0	0	0	0	115.6	A504	A504-G506 PolarHBondContact O-N 3.12Å
507	V	94.5	Very high	96.2	Very high	23 Å²	23	22 Å²	22	14%	0.139	15%	0.153	C	C	.	.			trans	-75.3	139.5	174.7	177.3	0	0	0	0	110.7	R453 T454 L503 A504 T505 E511	R453-V507 HydrophobicContact CB-CG1 4.14Å; R453-V507 HydrophobicContact CB-CG2 4.17Å; R453-V507 HydrophobicContact CG-CG2 4.2Å; T454-V507 HydrophobicContact CG2-CG1 3.96Å; L503-V507 HydrophobicContact CD2-CG1 4.17Å; A504-V507 HydrophobicContact CB-CG2 3.89Å; A504-V507 WeakPolarHBondContact O-CB 3.28Å; A504-V507 WeakPolarHBondContact O-CG2 3.4Å; A504-V507 PolarHBondContact O-N 3.41Å; T505-V507 VanDerWaalsContact C-N 3.3Å; T505-V507 PolarHBondContact O-N 3.37Å; V507-E511 HydrophobicContact CG1-CB 3.73Å; V507-E511 HydrophobicContact CG1-CG 3.97Å
508	S	94.6	Very high	96	Very high	56 Å²	56	22.2 Å²	22.2	39%	0.392	15%	0.154	S	C	.	.			trans	-75.9	139.4	175.2	176.7	0	0	0	0	111.4	A510 E511	S508-A510 PolarHBondContact O-N 2.96Å; S508-A510 PolarHBondContact OG-N 3.06Å; S508-E511 WeakPolarHBondContact O-CB 3.23Å; S508-E511 PolarHBondContact O-N 3.2Å
509	P	95.6	Very high	95.9	Very high	57 Å²	57	20.9 Å²	20.9	37%	0.37	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.3	173.4	-22.9	29.7	0	0	0	115.1	T500 L503 E511 T512	T500-P509 HydrophobicContact CG2-CB 4.37Å; T500-P509 PolarHBondContact OG1-O 3.3Å; L503-P509 HydrophobicContact CD1-CB 4.13Å; L503-P509 HydrophobicContact CD1-CG 3.72Å; P509-E511 PolarHBondContact O-N 2.82Å; P509-T512 PolarHBondContact O-N 3Å; P509-T512 PolarHBondContact O-OG1 3.5Å
510	A	94.8	Very high	95.7	Very high	54 Å²	54	21.2 Å²	21.2	45%	0.446	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.8	177.6	0	0	0	0	0	113.1	S508 T512 G513 L514	S508-A510 PolarHBondContact O-N 2.96Å; S508-A510 PolarHBondContact OG-N 3.06Å; A510-T512 PolarHBondContact O-N 2.85Å; A510-G513 PolarHBondContact O-N 2.98Å; A510-L514 PolarHBondContact O-N 3.42Å
511	E	96	Very high	95.5	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-33.8	179	-171.5	67.8	-166.2	0	0	111.4	R453 T454 V507 S508 P509 G513 L514 D515 C550	R453-E511 HydrophobicContact CB-CG 4.31Å; R453-E511 IonicContact CZ-OE1 3.88Å; R453-E511 IonicContact NE-OE1 3.66Å; R453-E511 PolarHBondContact NE-OE1 3.37Å; R453-E511 IonicContact NH2-OE1 2.82Å; T454-E511 HydrophobicContact CG2-CB 3.84Å; T454-E511 HydrophobicContact CG2-CG 3.91Å; V507-E511 HydrophobicContact CG1-CB 3.73Å; V507-E511 HydrophobicContact CG1-CG 3.97Å; S508-E511 WeakPolarHBondContact O-CB 3.23Å; S508-E511 PolarHBondContact O-N 3.2Å; P509-E511 PolarHBondContact O-N 2.82Å; E511-G513 PolarHBondContact O-N 3Å; E511-L514 CarbonylContact O-C 3.08Å; E511-L514 WeakPolarHBondContact O-CA 3.26Å; E511-L514 WeakPolarHBondContact O-CB 3.15Å; E511-L514 PolarHBondContact O-N 2.94Å; E511-D515 PolarHBondContact O-N 3.3Å; E511-C550 PolarHBondContact OE2-SG 3.02Å
512	T	97.6	Very high	95.3	Very high	5 Å²	5	21 Å²	21	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-39.2	177.7	-46.4	0	0	0	0	111.7	T454 H498 T500 P509 A510 L516	T454-T512 WeakPolarHBondContact CB-OG1 3.45Å; H498-T512 VanDerWaalsContact CD2-CG2 3.46Å; H498-T512 WeakPolarHBondContact CD2-CG2 3.43Å; T500-T512 WeakPolarHBondContact CG2-OG1 2.98Å; T500-T512 VanDerWaalsContact OG1-CB 3.27Å; T500-T512 WeakPolarHBondContact OG1-CB 3.37Å; T500-T512 PolarHBondContact OG1-OG1 2.94Å; P509-T512 PolarHBondContact O-N 3Å; P509-T512 PolarHBondContact O-OG1 3.5Å; A510-T512 PolarHBondContact O-N 2.85Å; T512-L516 WeakPolarHBondContact O-CB 3.42Å; T512-L516 PolarHBondContact O-N 2.63Å
513	G	97.1	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-37.1	174.9	0	0	0	0	0	112.5	H498 A510 E511 L516 L517	H498-G513 WeakPolarHBondContact CE1-CA 3.48Å; H498-G513 PolarHBondContact CE1-N 2.79Å; A510-G513 PolarHBondContact O-N 2.98Å; E511-G513 PolarHBondContact O-N 3Å; G513-L516 PolarHBondContact O-N 3.45Å; G513-L517 WeakPolarHBondContact O-CG 3.28Å; G513-L517 PolarHBondContact O-N 3.34Å; G513-L517 VanDerWaalsContact O-N 3.09Å
514	L	95.5	Very high	94.8	Very high	32 Å²	32	26.8 Å²	26.8	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-42.2	176.8	-60.7	176	0	0	0	111.4	E477 V479 A510 E511 L516 L517 R518	E477-L514 VanDerWaalsContact CD-CD2 3.48Å; E477-L514 HydrophobicContact CG-CD2 4.24Å; E477-L514 WeakPolarHBondContact OE2-CD2 3.36Å; V479-L514 HydrophobicContact CG1-CB 4.48Å; V479-L514 HydrophobicContact CG1-CD2 4.05Å; A510-L514 PolarHBondContact O-N 3.42Å; E511-L514 CarbonylContact O-C 3.08Å; E511-L514 WeakPolarHBondContact O-CA 3.26Å; E511-L514 WeakPolarHBondContact O-CB 3.15Å; E511-L514 PolarHBondContact O-N 2.94Å; L514-L516 VanDerWaalsContact C-N 3.29Å; L514-L516 PolarHBondContact O-N 2.9Å; L514-L517 PolarHBondContact O-N 3.48Å; L514-R518 WeakPolarHBondContact O-CG 3.21Å; L514-R518 PolarHBondContact O-N 3.16Å
515	D	95.8	Very high	94.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.2	-44.7	172.8	-77.4	-15.1	0	0	0	111.2	T451 R453 T454 E511 R518 V519	T451-D515 WeakPolarHBondContact CB-OD2 3.36Å; T451-D515 HydrophobicContact CG2-CB 3.8Å; T451-D515 VanDerWaalsContact CG2-OD2 3.23Å; T451-D515 WeakPolarHBondContact CG2-OD2 3.37Å; T451-D515 PolarHBondContact OG1-OD2 3.21Å; R453-D515 IonicContact CZ-OD1 3.92Å; R453-D515 IonicContact NE-OD1 2.79Å; R453-D515 IonicContact NH2-OD1 3.46Å; R453-D515 PolarHBondContact NH2-OD1 3.45Å; T454-D515 PolarHBondContact OG1-OD2 3.39Å; E511-D515 PolarHBondContact O-N 3.3Å; D515-R518 WeakPolarHBondContact O-CB 3.47Å; D515-R518 PolarHBondContact O-N 2.92Å; D515-R518 IonicContact OD1-CZ 3.79Å; D515-R518 IonicContact OD1-NE 3.15Å; D515-R518 IonicContact OD1-NH2 2.75Å; D515-R518 PolarHBondContact OD1-NH2 3.38Å; D515-V519 PolarHBondContact O-N 3.35Å; D515-V519 VanDerWaalsContact O-N 3.12Å
516	L	96.5	Very high	94.4	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-40.6	176.2	-177.7	56.6	0	0	0	112.7	V449 R458 C495 H498 T512 G513 L514 R518 V519 V520	V449-L516 HydrophobicContact CG2-CD1 4.04Å; R458-L516 HydrophobicContact CG-CD1 3.99Å; C495-L516 VanDerWaalsContact O-CD2 3.25Å; C495-L516 WeakPolarHBondContact O-CD2 3.35Å; C495-L516 WeakPolarHBondContact O-CG 3.38Å; H498-L516 HydrophobicContact CB-CD2 4.03Å; T512-L516 WeakPolarHBondContact O-CB 3.42Å; T512-L516 PolarHBondContact O-N 2.63Å; G513-L516 PolarHBondContact O-N 3.45Å; L514-L516 VanDerWaalsContact C-N 3.29Å; L514-L516 PolarHBondContact O-N 2.9Å; L516-R518 VanDerWaalsContact C-N 3.27Å; L516-R518 PolarHBondContact O-N 3.36Å; L516-V519 WeakPolarHBondContact O-CB 3.37Å; L516-V519 PolarHBondContact O-N 3.41Å; L516-V520 HydrophobicContact CD1-CG2 4.47Å; L516-V520 VanDerWaalsContact O-CG2 3.31Å; L516-V520 WeakPolarHBondContact O-CG2 3.13Å; L516-V520 PolarHBondContact O-N 2.95Å
517	L	95.4	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-36.2	175.1	-70.6	-177.8	0	0	0	112.2	D475 E477 V479 R496 G513 L514 V520 D521	D475-L517 WeakPolarHBondContact O-CD2 3.41Å; E477-L517 HydrophobicContact CB-CD1 4.08Å; V479-L517 HydrophobicContact CG1-CB 3.82Å; V479-L517 HydrophobicContact CG1-CD1 3.97Å; V479-L517 HydrophobicContact CG2-CB 4.28Å; R496-L517 HydrophobicContact CB-CD2 3.93Å; R496-L517 HydrophobicContact CB-CG 4.39Å; R496-L517 HydrophobicContact CG-CD1 4.43Å; R496-L517 HydrophobicContact CG-CD2 4.19Å; R496-L517 HydrophobicContact CG-CG 4.1Å; G513-L517 WeakPolarHBondContact O-CG 3.28Å; G513-L517 PolarHBondContact O-N 3.34Å; G513-L517 VanDerWaalsContact O-N 3.09Å; L514-L517 PolarHBondContact O-N 3.48Å; L517-V520 PolarHBondContact O-N 2.88Å; L517-D521 PolarHBondContact O-N 2.8Å
518	R	94	Very high	94.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-39.1	175.9	-67.9	-176.1	-52.5	135.3	17.7	112.1	V479 F480 L514 D515 L516 D521 M522 E589	V479-R518 HydrophobicContact CB-CG 3.58Å; V479-R518 HydrophobicContact CG1-CG 4.38Å; V479-R518 HydrophobicContact CG2-CB 4.38Å; V479-R518 HydrophobicContact CG2-CG 3.41Å; V479-R518 VanDerWaalsContact CG2-CG 3.41Å; F480-R518 HydrophobicContact CE1-CG 4.22Å; F480-R518 HydrophobicContact CE2-CB 3.95Å; F480-R518 HydrophobicContact CE2-CG 3.84Å; F480-R518 HydrophobicContact CZ-CB 3.67Å; F480-R518 HydrophobicContact CZ-CG 3.63Å; L514-R518 WeakPolarHBondContact O-CG 3.21Å; L514-R518 PolarHBondContact O-N 3.16Å; D515-R518 WeakPolarHBondContact O-CB 3.47Å; D515-R518 PolarHBondContact O-N 2.92Å; D515-R518 IonicContact OD1-CZ 3.79Å; D515-R518 IonicContact OD1-NE 3.15Å; D515-R518 IonicContact OD1-NH2 2.75Å; D515-R518 PolarHBondContact OD1-NH2 3.38Å; L516-R518 VanDerWaalsContact C-N 3.27Å; L516-R518 PolarHBondContact O-N 3.36Å; R518-D521 PolarHBondContact O-N 3.08Å; R518-M522 WeakPolarHBondContact O-CG 3.49Å; R518-M522 PolarHBondContact O-N 3.21Å; R518-E589 IonicContact CZ-OE1 3.23Å; R518-E589 IonicContact NH1-OE1 3.36Å; R518-E589 PolarHBondContact NH1-OE1 2.77Å; R518-E589 IonicContact NH2-OE1 3.78Å; R518-E589 PolarHBondContact NH2-OE1 3.29Å
519	V	95	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-46.1	171.1	173.1	0	0	0	0	110.7	V449 D515 L516 D521 M522 E523 L543 I591 V593	V449-V519 HydrophobicContact CG1-CG2 4.11Å; D515-V519 PolarHBondContact O-N 3.35Å; D515-V519 VanDerWaalsContact O-N 3.12Å; L516-V519 WeakPolarHBondContact O-CB 3.37Å; L516-V519 PolarHBondContact O-N 3.41Å; V519-D521 PolarHBondContact O-N 2.9Å; V519-M522 WeakPolarHBondContact O-CB 3.37Å; V519-M522 PolarHBondContact O-N 2.83Å; V519-M522 VanDerWaalsContact O-N 3.17Å; V519-E523 HydrophobicContact CG1-CG 4.39Å; V519-E523 WeakPolarHBondContact O-CG 3.48Å; V519-E523 PolarHBondContact O-N 2.79Å; V519-L543 HydrophobicContact CG1-CD2 4.15Å; V519-L543 HydrophobicContact CG2-CD2 4.47Å; V519-I591 HydrophobicContact CG2-CD1 4.18Å; V519-I591 HydrophobicContact CG2-CG2 3.79Å; V519-V593 HydrophobicContact CG1-CG2 3.77Å; V519-V593 HydrophobicContact CG2-CG2 3.99Å
520	V	95	Very high	94.1	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-41	179.5	171.8	0	0	0	0	111.6	R491 C495 L516 L517 M522 E523 L524	R491-V520 HydrophobicContact CB-CG1 4.34Å; R491-V520 HydrophobicContact CG-CG1 4.08Å; C495-V520 HydrophobicContact CB-CG1 4.23Å; C495-V520 HydrophobicContact CB-CG2 4.09Å; L516-V520 HydrophobicContact CD1-CG2 4.47Å; L516-V520 VanDerWaalsContact O-CG2 3.31Å; L516-V520 WeakPolarHBondContact O-CG2 3.13Å; L516-V520 PolarHBondContact O-N 2.95Å; L517-V520 PolarHBondContact O-N 2.88Å; V520-M522 VanDerWaalsContact C-N 3.31Å; V520-M522 PolarHBondContact O-N 2.98Å; V520-E523 PolarHBondContact O-N 3.38Å; V520-L524 HydrophobicContact CG1-CD1 3.77Å; V520-L524 HydrophobicContact CG1-CG 4.24Å; V520-L524 WeakPolarHBondContact O-CB 3.43Å; V520-L524 VanDerWaalsContact O-CG 3.3Å; V520-L524 WeakPolarHBondContact O-CG 3.31Å; V520-L524 PolarHBondContact O-N 3.03Å
521	D	93.3	Very high	94.2	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-42.1	174.4	-80	-10.9	0	0	0	112.1	V479 F480 I486 V489 R491 L517 R518 V519 L524 N525	V479-D521 VanDerWaalsContact CG2-OD2 3.26Å; V479-D521 WeakPolarHBondContact CG2-OD2 3.31Å; F480-D521 HydrophobicContact CD2-CB 4.33Å; F480-D521 WeakPolarHBondContact CD2-OD2 3.39Å; F480-D521 HydrophobicContact CE2-CB 3.92Å; I486-D521 HydrophobicContact CG2-CB 4.23Å; V489-D521 HydrophobicContact CG2-CB 4.5Å; V489-D521 WeakPolarHBondContact CG2-OD1 3.48Å; R491-D521 IonicContact CZ-OD1 3.47Å; R491-D521 VanDerWaalsContact CZ-OD1 3.23Å; R491-D521 IonicContact CZ-OD2 3.78Å; R491-D521 IonicContact NE-OD1 3.28Å; R491-D521 PolarHBondContact NE-OD1 2.89Å; R491-D521 IonicContact NE-OD2 2.69Å; R491-D521 IonicContact NH2-OD1 2.76Å; R491-D521 PolarHBondContact NH2-OD1 3.12Å; R491-D521 IonicContact NH2-OD2 2.87Å; R491-D521 PolarHBondContact NH2-OD2 3.2Å; L517-D521 PolarHBondContact O-N 2.8Å; R518-D521 PolarHBondContact O-N 3.08Å; V519-D521 PolarHBondContact O-N 2.9Å; D521-L524 PolarHBondContact O-N 3.15Å; D521-N525 WeakPolarHBondContact O-CB 3.36Å; D521-N525 PolarHBondContact O-N 3.1Å; D521-N525 PolarHBondContact O-ND2 3.39Å
522	M	92.7	Very high	94.2	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-45.5	177.4	-70.9	-52.9	97.2	0	0	111.3	F480 I486 R518 V519 V520 L524 N525 R527 L543 I545	F480-M522 HydrophobicContact CE2-CE 3.8Å; F480-M522 HydrophobicContact CZ-CE 4Å; I486-M522 HydrophobicContact CB-CE 4.27Å; I486-M522 HydrophobicContact CD1-CE 3.24Å; I486-M522 HydrophobicContact CD1-SD 4.47Å; I486-M522 HydrophobicContact CG1-CE 3.61Å; I486-M522 HydrophobicContact CG2-CE 3.67Å; R518-M522 WeakPolarHBondContact O-CG 3.49Å; R518-M522 PolarHBondContact O-N 3.21Å; V519-M522 WeakPolarHBondContact O-CB 3.37Å; V519-M522 PolarHBondContact O-N 2.83Å; V519-M522 VanDerWaalsContact O-N 3.17Å; V520-M522 VanDerWaalsContact C-N 3.31Å; V520-M522 PolarHBondContact O-N 2.98Å; M522-L524 PolarHBondContact O-N 3.48Å; M522-N525 PolarHBondContact O-N 3.19Å; M522-R527 CarbonylContact C-O 3.47Å; M522-R527 WeakPolarHBondContact CB-O 3.38Å; M522-R527 CarbonylContact O-C 3.44Å; M522-R527 WeakPolarHBondContact O-CA 3.49Å; M522-R527 PolarHBondContact O-N 3.41Å; M522-L543 HydrophobicContact CB-CD2 3.76Å; M522-L543 HydrophobicContact CG-CD2 4.1Å; M522-I545 HydrophobicContact CG-CD1 3.6Å; M522-I545 HydrophobicContact CG-CG1 3.62Å; M522-I545 HydrophobicContact SD-CG1 4.12Å
523	E	93.3	Very high	94.1	Very high	53 Å²	53	39.9 Å²	39.9	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-45	176.9	-70.8	176	161.7	0	0	111.2	R458 V519 V520 N525 N526 R541	R458-E523 IonicContact CZ-OE1 3.76Å; R458-E523 IonicContact CZ-OE2 3.19Å; R458-E523 IonicContact NH1-OE1 2.89Å; R458-E523 PolarHBondContact NH1-OE1 2.9Å; R458-E523 IonicContact NH1-OE2 2.64Å; R458-E523 IonicContact NH2-OE1 2.93Å; R458-E523 PolarHBondContact NH2-OE1 3.01Å; R458-E523 IonicContact NH2-OE2 3.22Å; R458-E523 PolarHBondContact NH2-OE2 3.08Å; V519-E523 HydrophobicContact CG1-CG 4.39Å; V519-E523 WeakPolarHBondContact O-CG 3.48Å; V519-E523 PolarHBondContact O-N 2.79Å; V520-E523 PolarHBondContact O-N 3.38Å; E523-N525 VanDerWaalsContact C-N 3.34Å; E523-N525 PolarHBondContact O-N 3.11Å; E523-N526 PolarHBondContact O-N 3.42Å; E523-R541 IonicContact OE1-CZ 3.65Å; E523-R541 IonicContact OE1-NH1 2.73Å; E523-R541 IonicContact OE1-NH2 3.69Å; E523-R541 PolarHBondContact OE1-NH2 3.31Å
524	L	92.6	Very high	94.1	Very high	73 Å²	73	46.4 Å²	46.4	38%	0.382	25%	0.246	S	C	.	.	H	α-helix	trans	-71.6	-24.5	179	-68.9	174.5	0	0	0	113.8	V489 R491 V520 D521 M522 N526	V489-L524 HydrophobicContact CB-CB 4.13Å; V489-L524 HydrophobicContact CB-CD1 3.99Å; V489-L524 HydrophobicContact CG1-CB 4.03Å; V489-L524 HydrophobicContact CG2-CB 3.97Å; V489-L524 HydrophobicContact CG2-CD1 3.69Å; V489-L524 HydrophobicContact CG2-CG 4.49Å; R491-L524 HydrophobicContact CB-CD1 4.42Å; R491-L524 HydrophobicContact CG-CD1 4.07Å; V520-L524 HydrophobicContact CG1-CD1 3.77Å; V520-L524 HydrophobicContact CG1-CG 4.24Å; V520-L524 WeakPolarHBondContact O-CB 3.43Å; V520-L524 VanDerWaalsContact O-CG 3.3Å; V520-L524 WeakPolarHBondContact O-CG 3.31Å; V520-L524 PolarHBondContact O-N 3.03Å; D521-L524 PolarHBondContact O-N 3.15Å; M522-L524 PolarHBondContact O-N 3.48Å; L524-N526 PolarHBondContact O-N 3.28Å
525	N	90.7	Very high	94.1	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	18	173.9	-80.1	-92.5	0	0	0	112.8	M487 D521 M522 E523 R527	M487-N525 PolarHBondContact N-OD1 3.48Å; M487-N525 VanDerWaalsContact N-OD1 3.16Å; M487-N525 PolarHBondContact O-ND2 3.22Å; D521-N525 WeakPolarHBondContact O-CB 3.36Å; D521-N525 PolarHBondContact O-N 3.1Å; D521-N525 PolarHBondContact O-ND2 3.39Å; M522-N525 PolarHBondContact O-N 3.19Å; E523-N525 VanDerWaalsContact C-N 3.34Å; E523-N525 PolarHBondContact O-N 3.11Å; N525-R527 PolarHBondContact O-N 3.45Å
526	N	90.8	Very high	93.9	Very high	149 Å²	149	54.1 Å²	54.1	80%	0.797	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	32.2	-177.1	-61.3	-49.9	0	0	0	113.6	E523 L524 P528	E523-N526 PolarHBondContact O-N 3.42Å; L524-N526 PolarHBondContact O-N 3.28Å; N526-P528 WeakPolarHBondContact O-CD 3.38Å
527	R	91.2	Very high	93.8	Very high	111 Å²	111	58.4 Å²	58.4	42%	0.419	30%	0.302	S	S	.	.			trans	-121.3	63.1	175.3	-62.3	-179.1	-171	169.3	5.9	110.3	M522 N525 G529	M522-R527 CarbonylContact C-O 3.47Å; M522-R527 WeakPolarHBondContact CB-O 3.38Å; M522-R527 CarbonylContact O-C 3.44Å; M522-R527 WeakPolarHBondContact O-CA 3.49Å; M522-R527 PolarHBondContact O-N 3.41Å; N525-R527 PolarHBondContact O-N 3.45Å; R527-G529 PolarHBondContact O-N 3.05Å
528	P	91.1	Very high	93.9	Very high	61 Å²	61	58.4 Å²	58.4	40%	0.396	30%	0.302	S	S	.	.			trans	-67	-2.1	-178.8	31.1	-36.9	0	0	0	113.4	N526 R541 L543	N526-P528 WeakPolarHBondContact O-CD 3.38Å; P528-R541 PolarHBondContact O-NH1 3.39Å; P528-L543 WeakPolarHBondContact O-CD1 3.47Å
529	G	93.1	Very high	94	Very high	28 Å²	28	59.7 Å²	59.7	29%	0.289	31%	0.312	S	S	.	.			trans	80.8	170.8	-176	0	0	0	0	0	112.9	R527 R542	R527-G529 PolarHBondContact O-N 3.05Å; G529-R542 CarbonylContact C-O 3.58Å; G529-R542 VanDerWaalsContact CA-O 3.22Å; G529-R542 WeakPolarHBondContact CA-O 3.23Å
530	D	94.9	Very high	94.2	Very high	96 Å²	96	59.7 Å²	59.7	51%	0.513	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.3	-171.2	-56.5	-41.8	0	0	0	110.5	V532 R541 R542	D530-V532 PolarHBondContact O-N 3.38Å; D530-R541 CarbonylContact O-C 3.48Å; D530-R541 VanDerWaalsContact O-CA 3.29Å; D530-R541 WeakPolarHBondContact O-CA 3.19Å; D530-R542 PolarHBondContact N-O 2.71Å; D530-R542 PolarHBondContact O-N 2.99Å
531	H	96.1	Very high	94.3	Very high	107 Å²	107	60.8 Å²	60.8	50%	0.495	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.7	174.5	-179.4	-81.6	0	0	0	110.6	A533 I534	H531-A533 PolarHBondContact NE2-O 2.78Å; H531-I534 WeakPolarHBondContact NE2-CG1 3.36Å
532	V	95.9	Very high	94.5	Very high	47 Å²	47	63.4 Å²	63.4	29%	0.285	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-52.5	-179.4	-178.2	0	0	0	0	111	L361 V364 D530 V540 R542	L361-V532 HydrophobicContact CD1-CG1 4.41Å; V364-V532 HydrophobicContact CG2-CG1 3.96Å; D530-V532 PolarHBondContact O-N 3.38Å; V532-V540 HydrophobicContact CB-CB 4.43Å; V532-V540 HydrophobicContact CB-CG1 4.35Å; V532-V540 PolarHBondContact N-O 3.41Å; V532-R542 HydrophobicContact CG2-CB 3.4Å
533	A	96.9	Very high	94.7	Very high	18 Å²	18	63.1 Å²	63.1	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	150.9	-173.9	0	0	0	0	0	111.6	L361 H531 I535 V540	L361-A533 HydrophobicContact CD1-CB 3.65Å; L361-A533 HydrophobicContact CD2-CB 4.06Å; H531-A533 PolarHBondContact NE2-O 2.78Å; A533-I535 HydrophobicContact CB-CG2 4.28Å; A533-V540 PolarHBondContact N-O 2.95Å; A533-V540 PolarHBondContact O-N 2.86Å
534	I	96.9	Very high	94.6	Very high	136 Å²	136	65.3 Å²	65.3	70%	0.697	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.4	162.5	-59.1	177.6	0	0	0	106.3	H531	H531-I534 WeakPolarHBondContact NE2-CG1 3.36Å
535	I	95	Very high	94.5	Very high	20 Å²	20	61.8 Å²	61.8	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	176.3	174.9	67.6	174.7	0	0	0	108.9	V354 T357 I358 L361 A533 N537 G538 V540 Y594	V354-I535 HydrophobicContact CG1-CD1 4.49Å; T357-I535 HydrophobicContact CG2-CB 4.18Å; T357-I535 HydrophobicContact CG2-CD1 4.19Å; T357-I535 HydrophobicContact CG2-CG2 4.12Å; I358-I535 HydrophobicContact CD1-CD1 4.25Å; I358-I535 HydrophobicContact CG1-CD1 3.78Å; L361-I535 HydrophobicContact CD1-CG2 4.47Å; A533-I535 HydrophobicContact CB-CG2 4.28Å; I535-N537 PolarHBondContact O-N 3.3Å; I535-N537 VanDerWaalsContact O-N 3.12Å; I535-G538 PolarHBondContact N-O 3.13Å; I535-G538 PolarHBondContact O-N 3.46Å; I535-V540 HydrophobicContact CD1-CG2 3.71Å; I535-V540 HydrophobicContact CG1-CG2 4Å; I535-V540 HydrophobicContact CG2-CG2 4.2Å; I535-Y594 HydrophobicContact CD1-CD2 3.67Å; I535-Y594 HydrophobicContact CD1-CE2 3.53Å; I535-Y594 HydrophobicContact CD1-CG 4.49Å; I535-Y594 HydrophobicContact CG1-CD2 3.87Å; I535-Y594 HydrophobicContact CG1-CE2 3.38Å
536	K	91.9	Very high	94.3	Very high	174 Å²	174	60.9 Å²	60.9	76%	0.757	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	124.4	-177	-173.6	178.1	178.9	-179.4	0	110.8	G538 Y594	K536-G538 VanDerWaalsContact C-N 3.31Å; K536-G538 PolarHBondContact O-N 3.08Å; K536-Y594 PolarHBondContact O-OH 3.46Å
537	N	94	Very high	93.9	Very high	96 Å²	96	58.4 Å²	58.4	51%	0.513	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	19	177.2	-48.8	-29.9	0	0	0	116.3	I535 Y594 L596 D597	I535-N537 PolarHBondContact O-N 3.3Å; I535-N537 VanDerWaalsContact O-N 3.12Å; N537-Y594 PolarHBondContact O-OH 3.45Å; N537-L596 WeakPolarHBondContact O-CA 3.21Å; N537-D597 PolarHBondContact O-N 3.05Å
538	G	97	Very high	92.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-171.3	177.3	0	0	0	0	0	115	I535 K536 D595 D597	I535-G538 PolarHBondContact N-O 3.13Å; I535-G538 PolarHBondContact O-N 3.46Å; K536-G538 VanDerWaalsContact C-N 3.31Å; K536-G538 PolarHBondContact O-N 3.08Å; G538-D595 CarbonylContact C-O 3.59Å; G538-D595 WeakPolarHBondContact CA-O 3.17Å; G538-D597 PolarHBondContact N-OD2 2.86Å
539	S	97.8	Very high	91.3	Very high	30 Å²	30	60.6 Å²	60.6	21%	0.21	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.9	178.4	61.9	0	0	0	0	111.7	Y594 D595	S539-Y594 WeakPolarHBondContact O-CA 3.35Å; S539-Y594 WeakPolarHBondContact O-CD2 3.44Å; S539-D595 PolarHBondContact N-O 3.4Å; S539-D595 PolarHBondContact O-N 2.86Å
540	V	98.2	Very high	89.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.4	178.9	-174.7	0	0	0	0	108.2	I358 V532 A533 I535 V593 Y594	I358-V540 HydrophobicContact CD1-CG2 4.08Å; I358-V540 HydrophobicContact CG1-CG2 3.82Å; I358-V540 HydrophobicContact CG2-CG1 4.42Å; V532-V540 HydrophobicContact CB-CB 4.43Å; V532-V540 HydrophobicContact CB-CG1 4.35Å; V532-V540 PolarHBondContact N-O 3.41Å; A533-V540 PolarHBondContact N-O 2.95Å; A533-V540 PolarHBondContact O-N 2.86Å; I535-V540 HydrophobicContact CD1-CG2 3.71Å; I535-V540 HydrophobicContact CG1-CG2 4Å; I535-V540 HydrophobicContact CG2-CG2 4.2Å; V540-V593 WeakPolarHBondContact CA-O 3.47Å; V540-Y594 HydrophobicContact CG2-CD2 4.03Å
541	R	97.8	Very high	86.7	Confident	31 Å²	31	61.6 Å²	61.6	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147	172.4	-64.2	-179.9	-71.2	121.1	-7.5	110.3	E523 P528 D530 L543 Y592 V593 D595	E523-R541 IonicContact OE1-CZ 3.65Å; E523-R541 IonicContact OE1-NH1 2.73Å; E523-R541 IonicContact OE1-NH2 3.69Å; E523-R541 PolarHBondContact OE1-NH2 3.31Å; P528-R541 PolarHBondContact O-NH1 3.39Å; D530-R541 CarbonylContact O-C 3.48Å; D530-R541 VanDerWaalsContact O-CA 3.29Å; D530-R541 WeakPolarHBondContact O-CA 3.19Å; R541-L543 HydrophobicContact CB-CD1 4.25Å; R541-Y592 WeakPolarHBondContact O-CA 3.49Å; R541-V593 PolarHBondContact N-O 3.13Å; R541-V593 PolarHBondContact O-N 2.9Å; R541-D595 IonicContact CZ-OD2 3.17Å; R541-D595 IonicContact NE-OD2 2.66Å; R541-D595 PolarHBondContact NE-OD2 3.21Å; R541-D595 VanDerWaalsContact NH2-CG 3.31Å; R541-D595 IonicContact NH2-OD1 3.51Å; R541-D595 PolarHBondContact NH2-OD1 2.83Å; R541-D595 IonicContact NH2-OD2 2.86Å; R541-D595 PolarHBondContact NH2-OD2 3.32Å
542	R	97.6	Very high	84.1	Confident	63 Å²	63	60.3 Å²	60.3	24%	0.238	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.2	174.1	-177.7	-179.5	60.1	-143.5	-9	109.2	E367 G529 D530 V532 T590 Y592	E367-R542 IonicContact OE1-CZ 2.73Å; E367-R542 IonicContact OE1-NE 2.7Å; E367-R542 IonicContact OE1-NH1 3.66Å; E367-R542 PolarHBondContact OE1-NH1 3.19Å; E367-R542 WeakPolarHBondContact OE2-CD 3.37Å; E367-R542 IonicContact OE2-NH1 3.29Å; G529-R542 CarbonylContact C-O 3.58Å; G529-R542 VanDerWaalsContact CA-O 3.22Å; G529-R542 WeakPolarHBondContact CA-O 3.23Å; D530-R542 PolarHBondContact N-O 2.71Å; D530-R542 PolarHBondContact O-N 2.99Å; V532-R542 HydrophobicContact CG2-CB 3.4Å; R542-T590 HydrophobicContact CG-CG2 3.4Å; R542-T590 VanDerWaalsContact CG-CG2 3.4Å; R542-Y592 HydrophobicContact CB-CD1 4.14Å; R542-Y592 HydrophobicContact CB-CE1 4.1Å; R542-Y592 HydrophobicContact CG-CD1 4.22Å; R542-Y592 HydrophobicContact CG-CE1 3.82Å
543	L	95.8	Very high	81.3	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.3	173.8	-70.3	73.7	0	0	0	108.8	V519 M522 P528 R541 I545 T590 I591 V593	V519-L543 HydrophobicContact CG1-CD2 4.15Å; V519-L543 HydrophobicContact CG2-CD2 4.47Å; M522-L543 HydrophobicContact CB-CD2 3.76Å; M522-L543 HydrophobicContact CG-CD2 4.1Å; P528-L543 WeakPolarHBondContact O-CD1 3.47Å; R541-L543 HydrophobicContact CB-CD1 4.25Å; L543-I545 HydrophobicContact CB-CD1 3.88Å; L543-I545 HydrophobicContact CB-CG1 4.1Å; L543-I545 HydrophobicContact CD2-CD1 4.09Å; L543-T590 WeakPolarHBondContact O-CA 3.47Å; L543-I591 HydrophobicContact CB-CB 4.47Å; L543-I591 PolarHBondContact N-O 2.92Å; L543-I591 PolarHBondContact O-N 2.75Å; L543-V593 HydrophobicContact CD1-CB 4.21Å; L543-V593 HydrophobicContact CD1-CG2 3.69Å
544	I	92.5	Very high	78.5	Confident	98 Å²	98	62.4 Å²	62.4	50%	0.503	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.9	172.6	-59.1	175.5	0	0	0	107.1	Y588	I544-Y588 HydrophobicContact CG2-CD1 3.82Å; I544-Y588 HydrophobicContact CG2-CG 4.05Å
545	I	90.3	Very high	75.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.7	-168.8	-69.1	171.6	0	0	0	109.8	F480 M522 L543 K547 Y588 E589 I591	F480-I545 HydrophobicContact CE1-CG2 3.46Å; F480-I545 VanDerWaalsContact CE1-CG2 3.46Å; F480-I545 HydrophobicContact CZ-CG2 3.38Å; M522-I545 HydrophobicContact CG-CD1 3.6Å; M522-I545 HydrophobicContact CG-CG1 3.62Å; M522-I545 HydrophobicContact SD-CG1 4.12Å; L543-I545 HydrophobicContact CB-CD1 3.88Å; L543-I545 HydrophobicContact CB-CG1 4.1Å; L543-I545 HydrophobicContact CD2-CD1 4.09Å; I545-K547 PolarHBondContact O-N 3.34Å; I545-Y588 CarbonylContact O-C 3.57Å; I545-Y588 WeakPolarHBondContact O-CA 3.49Å; I545-E589 PolarHBondContact N-O 2.93Å; I545-E589 PolarHBondContact O-N 3.22Å; I545-I591 HydrophobicContact CD1-CB 4.43Å; I545-I591 HydrophobicContact CD1-CD1 3.64Å; I545-I591 HydrophobicContact CD1-CG1 4.17Å
546	P	86.3	Confident	72.7	Confident	11 Å²	11	72.9 Å²	72.9	7%	0.071	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	129.3	173	-29.2	39	0	0	0	112.1	F480 I484 I486 V548 D587 Y588	F480-P546 HydrophobicContact CE1-CB 4.49Å; I484-P546 HydrophobicContact CD1-CB 4.01Å; I484-P546 HydrophobicContact CG2-CB 3.65Å; I484-P546 HydrophobicContact CG2-CG 3.32Å; I486-P546 HydrophobicContact CD1-CG 4.4Å; P546-V548 PolarHBondContact O-N 3.42Å; P546-D587 CarbonylContact C-O 3.44Å; P546-Y588 HydrophobicContact CB-CE1 4.43Å; P546-Y588 HydrophobicContact CG-CD1 4.06Å; P546-Y588 HydrophobicContact CG-CE1 3.62Å
547	K	82	Confident	69.8	Low	97 Å²	97	75.7 Å²	75.7	42%	0.422	37%	0.373	S	S	.	.			trans	-61.1	134.2	172	-76.8	177.8	177.8	164.8	0	108.9	I545 S586 D587 Y588 E589	I545-K547 PolarHBondContact O-N 3.34Å; K547-S586 WeakPolarHBondContact CD-O 2.89Å; K547-S586 PolarHBondContact NZ-O 2.96Å; K547-D587 WeakPolarHBondContact CB-O 3.31Å; K547-D587 PolarHBondContact N-O 3.29Å; K547-Y588 WeakPolarHBondContact CE-O 3.44Å; K547-E589 HydrophobicContact CG-CB 3.79Å; K547-E589 HydrophobicContact CG-CG 4.03Å
548	V	70.5	Confident	66.9	Low	53 Å²	53	78.7 Å²	78.7	32%	0.321	39%	0.388	S	S	.	.			trans	-104.4	121.3	170.3	-173.4	0	0	0	0	105.8	V479 F480 P546 C550	V479-V548 VanDerWaalsContact O-CG2 3.3Å; V479-V548 WeakPolarHBondContact O-CG2 3.29Å; F480-V548 HydrophobicContact CD1-CG2 4.15Å; F480-V548 HydrophobicContact CE1-CG2 4.32Å; P546-V548 PolarHBondContact O-N 3.42Å; V548-C550 PolarHBondContact O-N 3.45Å
549	H	57.6	Low	63.7	Low	165 Å²	165	84.2 Å²	84.2	76%	0.764	42%	0.422	S	S	*	.			trans	-68	86.4	170.1	-68.7	-63.9	0	0	0	108.3	S551	H549-S551 PolarHBondContact O-N 2.98Å
550	C	49.2	Very low	60.3	Low	28 Å²	28	92.1 Å²	92.1	19%	0.189	46%	0.455	C	S	.	.			trans	-62.8	135.4	179.3	-168.8	0	0	0	0	109	E511 V548 T552 S553	E511-C550 PolarHBondContact OE2-SG 3.02Å; V548-C550 PolarHBondContact O-N 3.45Å; C550-T552 PolarHBondContact O-N 2.9Å; C550-T552 PolarHBondContact SG-OG1 3.1Å; C550-S553 PolarHBondContact O-N 2.9Å; C550-S553 PolarHBondContact O-OG 3.4Å
551	S	40.9	Very low	57.3	Low	117 Å²	117	98.1 Å²	98.1	82%	0.818	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.6	176	54.5	0	0	0	0	113.5	H549	H549-S551 PolarHBondContact O-N 2.98Å
552	T	42.3	Very low	54.2	Low	80 Å²	80	102.4 Å²	102.4	49%	0.491	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	4.1	-179	64.5	0	0	0	0	114.8	C550	C550-T552 PolarHBondContact O-N 2.9Å; C550-T552 PolarHBondContact SG-OG1 3.1Å
553	S	37	Very low	50.9	Low	39 Å²	39	106.8 Å²	106.8	27%	0.273	55%	0.552	S	S	.	*			trans	-64.9	135.8	178.1	59.9	0	0	0	0	112.4	C550 E555	C550-S553 PolarHBondContact O-N 2.9Å; C550-S553 PolarHBondContact O-OG 3.4Å; S553-E555 PolarHBondContact O-N 3.48Å; S553-E555 VanDerWaalsContact O-N 3.09Å
554	P	37.2	Very low	48	Very low	71 Å²	71	114.2 Å²	114.2	46%	0.461	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-56.7	-23.5	178.3	-24.6	32.8	0	0	0	115.3	R556 R557	P554-R556 PolarHBondContact O-N 3.47Å; P554-R556 VanDerWaalsContact O-N 3.14Å; P554-R557 PolarHBondContact O-N 3.27Å; P554-R557 VanDerWaalsContact O-N 3.08Å
555	E	37.5	Very low	45.3	Very low	153 Å²	153	114.4 Å²	114.4	72%	0.715	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-61.5	-23.1	-173.9	-73.1	173	151.2	0	0	114.7	S553 R557	S553-E555 PolarHBondContact O-N 3.48Å; S553-E555 VanDerWaalsContact O-N 3.09Å; E555-R557 VanDerWaalsContact C-N 3.26Å; E555-R557 PolarHBondContact O-N 3.23Å
556	R	33.2	Very low	42.4	Very low	222 Å²	222	121.5 Å²	121.5	84%	0.838	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-72.6	-10.1	175	-94.3	-166.9	-169.6	-166.2	4.9	114.8	P554	P554-R556 PolarHBondContact O-N 3.47Å; P554-R556 VanDerWaalsContact O-N 3.14Å
557	R	30.9	Very low	39.7	Very low	234 Å²	234	132.1 Å²	132.1	88%	0.883	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-86.5	-4.6	178.2	-65.9	-165.4	-150	-168.7	9.3	114.5	P554 E555	P554-R557 PolarHBondContact O-N 3.27Å; P554-R557 VanDerWaalsContact O-N 3.08Å; E555-R557 VanDerWaalsContact C-N 3.26Å; E555-R557 PolarHBondContact O-N 3.23Å
558	L	33.2	Very low	37.2	Very low	159 Å²	159	136 Å²	136	83%	0.832	70%	0.699	S	S	*	*	S	Bend	trans	-116.5	0	-174.8	-72.6	170.7	0	0	0	115.6
559	V	29.6	Very low	35.6	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	72%	0.716	S	S	*	*			trans	-130	80.3	177.1	-169.3	0	0	0	0	110.6
560	Q	27.1	Very low	34.3	Very low	195 Å²	195	140.9 Å²	140.9	91%	0.911	72%	0.718	S	S	*	*			trans	-105.8	95	152.7	-76.5	-172.5	-4.8	0	0	107.5
561	V	34.3	Very low	33.4	Very low	127 Å²	127	145.7 Å²	145.7	77%	0.77	74%	0.742	S	S	*	*			trans	-135.4	135.3	161.2	-177	0	0	0	0	107.8
562	P	32.1	Very low	33	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	74%	0.737	S	S	*	*			trans	-81.2	152.6	-158.9	-6.5	25.1	0	0	0	113.6	N564	P562-N564 PolarHBondContact O-N 3.28Å
563	N	30.4	Very low	32.4	Very low	155 Å²	155	149 Å²	149	83%	0.829	75%	0.748	S	S	*	*			trans	-39	127	166.5	-70.3	-25.4	0	0	0	113.1
564	N	32.9	Very low	32.1	Very low	159 Å²	159	153.7 Å²	153.7	85%	0.85	77%	0.77	S	S	*	*			trans	-169.8	143.4	130.9	-98.5	-19.8	0	0	0	114.4	P562	P562-N564 PolarHBondContact O-N 3.28Å
565	S	36.2	Very low	31.8	Very low	102 Å²	102	159.2 Å²	159.2	71%	0.713	79%	0.787	S	S	*	*			trans	73.7	100.4	155.4	57.1	0	0	0	0	120.8
566	N	30	Very low	31.3	Very low	149 Å²	149	162.8 Å²	162.8	80%	0.797	80%	0.795	S	S	*	*				40.5	108.3	117.3	-64.8	-17.1	0	0	0	118.3
567	Y	29.2	Very low	31.2	Very low	234 Å²	234	158.3 Å²	158.3	92%	0.918	79%	0.792	S	S	*	*			trans	-168	113.3	134.2	-108	-78.7	0	0	0	111
568	H	30.5	Very low	31.3	Very low	178 Å²	178	153.7 Å²	153.7	82%	0.824	79%	0.785	S	S	*	*			trans	-94.5	159.7	150	-90	-53.2	0	0	0	106.7
569	P	36.5	Very low	31.2	Very low	103 Å²	103	150.2 Å²	150.2	67%	0.669	79%	0.788	S	S	*	*			cis	-157.5	174	42.9	39.9	-16.3	0	0	0	119.5
570	R	29.6	Very low	31.5	Very low	218 Å²	218	148.7 Å²	148.7	82%	0.823	78%	0.775	S	S	*	*			trans	75.2	126.1	138.3	-84.3	174.5	-166.4	-163.8	4.5	123.6
571	N	31.1	Very low	31.9	Very low	128 Å²	128	144.2 Å²	144.2	68%	0.684	77%	0.765	S	S	*	*			trans	72.3	111	133.8	-73	9.3	0	0	0	120.1
572	N	33	Very low	32	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	77%	0.766	S	S	*	*				-179.4	130.3	92.9	-97.8	-21.3	0	0	0	112.8
573	N	29.5	Very low	32.5	Very low	132 Å²	132	140.2 Å²	140.2	71%	0.706	74%	0.743	S	S	*	*			trans	24.6	120.2	139.4	-55.7	-16.4	0	0	0	118.6
574	N	30.6	Very low	32.9	Very low	138 Å²	138	136 Å²	136	74%	0.738	72%	0.724	S	S	*	*				178.5	126.3	106.7	-90.7	-19.8	0	0	0	115
575	F	30.1	Very low	33.8	Very low	186 Å²	186	134.1 Å²	134.1	82%	0.816	72%	0.721	S	S	*	*			trans	62.7	107.8	145	-73.2	-88.8	0	0	0	121.7
576	Y	26.6	Very low	35	Very low	229 Å²	229	132.8 Å²	132.8	90%	0.898	71%	0.712	S	S	*	*			trans	-65.5	128.4	163.2	-72.6	-96.9	0	0	0	112.3
577	V	31.6	Very low	37.4	Very low	127 Å²	127	128.3 Å²	128.3	77%	0.77	69%	0.688	S	S	*	*			trans	-135.9	117.1	151.3	-179.6	0	0	0	0	107.3
578	N	33.3	Very low	40.1	Very low	138 Å²	138	120.3 Å²	120.3	74%	0.738	66%	0.656	S	S	*	*	S	Bend	trans	61.1	80.3	168	-60.2	-16.6	0	0	0	118	I580	N578-I580 PolarHBondContact O-N 3.46Å
579	G	30.2	Very low	43	Very low	86 Å²	86	112.5 Å²	112.5	89%	0.887	62%	0.62	S	S	*	*	S	Bend	trans	61.9	1	136.6	0	0	0	0	0	120.4
580	I	36.9	Very low	45.7	Very low	84 Å²	84	109.9 Å²	109.9	43%	0.431	60%	0.602	S	S	.	*			trans	-109.8	112.3	175.9	-57.8	172.7	0	0	0	106	N578 S582	N578-I580 PolarHBondContact O-N 3.46Å; I580-S582 PolarHBondContact O-N 3.12Å
581	S	35.5	Very low	48.9	Very low	101 Å²	101	99.5 Å²	99.5	71%	0.706	56%	0.563	S	S	*	*			trans	-46.9	118.3	166.2	176.5	0	0	0	0	107.6	V583	S581-V583 WeakPolarHBondContact O-CG2 3.44Å; S581-V583 PolarHBondContact O-N 3.15Å
582	S	36.2	Very low	52.1	Low	114 Å²	114	93.6 Å²	93.6	80%	0.797	53%	0.531	S	S	*	.			trans	-62.7	93.1	-170.8	55.8	0	0	0	0	110.6	I580	I580-S582 PolarHBondContact O-N 3.12Å
583	V	42.7	Very low	55.2	Low	48 Å²	48	87.1 Å²	87.1	29%	0.291	50%	0.497	S	S	.	.			trans	-75.1	128.5	167.7	-163	0	0	0	0	106.4	S581 D587 Y588	S581-V583 WeakPolarHBondContact O-CG2 3.44Å; S581-V583 PolarHBondContact O-N 3.15Å; V583-D587 HydrophobicContact CB-CB 4.48Å; V583-D587 HydrophobicContact CG1-CB 3.27Å; V583-D587 WeakPolarHBondContact CG1-OD2 3.4Å; V583-Y588 HydrophobicContact CB-CE2 3.85Å; V583-Y588 HydrophobicContact CG1-CE2 4.47Å
584	P	38.7	Very low	58.5	Low	66 Å²	66	81 Å²	81	43%	0.429	46%	0.464	S	S	.	.			trans	-57.6	149.3	-177.7	17.2	-27.3	0	0	0	111.3	S586 D587	P584-S586 PolarHBondContact O-N 3.41Å; P584-D587 VanDerWaalsContact CD-OD2 3.32Å; P584-D587 WeakPolarHBondContact CD-OD2 3.38Å; P584-D587 VanDerWaalsContact CG-OD2 3.3Å; P584-D587 WeakPolarHBondContact CG-OD2 3.28Å; P584-D587 WeakPolarHBondContact O-CB 3.41Å; P584-D587 PolarHBondContact O-N 3.3Å
585	P	51.8	Low	61.7	Low	121 Å²	121	76 Å²	76	79%	0.786	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-54.3	-24.1	-177.4	-26.1	33.2	0	0	0	114.6	D587 Y588	P585-D587 PolarHBondContact O-N 3.35Å; P585-Y588 PolarHBondContact O-N 3.25Å
586	S	62	Low	64.9	Low	74 Å²	74	68.1 Å²	68.1	52%	0.517	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.6	174.3	53.3	0	0	0	0	114.3	K547 P584	K547-S586 WeakPolarHBondContact CD-O 2.89Å; K547-S586 PolarHBondContact NZ-O 2.96Å; P584-S586 PolarHBondContact O-N 3.41Å
587	D	78.8	Confident	68.2	Low	55 Å²	55	61.9 Å²	61.9	29%	0.294	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-99.1	10.5	-170.1	-61.8	0.8	0	0	0	111.8	P546 K547 V583 P584 P585	P546-D587 CarbonylContact C-O 3.44Å; K547-D587 WeakPolarHBondContact CB-O 3.31Å; K547-D587 PolarHBondContact N-O 3.29Å; V583-D587 HydrophobicContact CB-CB 4.48Å; V583-D587 HydrophobicContact CG1-CB 3.27Å; V583-D587 WeakPolarHBondContact CG1-OD2 3.4Å; P584-D587 VanDerWaalsContact CD-OD2 3.32Å; P584-D587 WeakPolarHBondContact CD-OD2 3.38Å; P584-D587 VanDerWaalsContact CG-OD2 3.3Å; P584-D587 WeakPolarHBondContact CG-OD2 3.28Å; P584-D587 WeakPolarHBondContact O-CB 3.41Å; P584-D587 PolarHBondContact O-N 3.3Å; P585-D587 PolarHBondContact O-N 3.35Å
588	Y	86.3	Confident	71.3	Confident	65 Å²	65	64.1 Å²	64.1	26%	0.255	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.8	170.4	-69.2	-95.1	0	0	0	110.4	I544 I545 P546 K547 V583 P585	I544-Y588 HydrophobicContact CG2-CD1 3.82Å; I544-Y588 HydrophobicContact CG2-CG 4.05Å; I545-Y588 CarbonylContact O-C 3.57Å; I545-Y588 WeakPolarHBondContact O-CA 3.49Å; P546-Y588 HydrophobicContact CB-CE1 4.43Å; P546-Y588 HydrophobicContact CG-CD1 4.06Å; P546-Y588 HydrophobicContact CG-CE1 3.62Å; K547-Y588 WeakPolarHBondContact CE-O 3.44Å; V583-Y588 HydrophobicContact CB-CE2 3.85Å; V583-Y588 HydrophobicContact CG1-CE2 4.47Å; P585-Y588 PolarHBondContact O-N 3.25Å
589	E	91.4	Very high	74.2	Confident	15 Å²	15	60 Å²	60	7%	0.07	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.7	169.3	64	172.8	166.1	0	0	110.9	S452 R453 R518 I545 K547	S452-E589 PolarHBondContact OG-OE2 3.45Å; R453-E589 IonicContact CZ-OE1 2.86Å; R453-E589 IonicContact CZ-OE2 2.73Å; R453-E589 IonicContact NH1-OE1 3.68Å; R453-E589 PolarHBondContact NH1-OE1 3.32Å; R453-E589 IonicContact NH1-OE2 3.06Å; R453-E589 PolarHBondContact NH1-OE2 3.29Å; R453-E589 IonicContact NH2-OE1 2.97Å; R453-E589 PolarHBondContact NH2-OE1 2.93Å; R453-E589 IonicContact NH2-OE2 3Å; R518-E589 IonicContact CZ-OE1 3.23Å; R518-E589 IonicContact NH1-OE1 3.36Å; R518-E589 PolarHBondContact NH1-OE1 2.77Å; R518-E589 IonicContact NH2-OE1 3.78Å; R518-E589 PolarHBondContact NH2-OE1 3.29Å; I545-E589 PolarHBondContact N-O 2.93Å; I545-E589 PolarHBondContact O-N 3.22Å; K547-E589 HydrophobicContact CG-CB 3.79Å; K547-E589 HydrophobicContact CG-CG 4.03Å
590	T	94.5	Very high	77.3	Confident	48 Å²	48	58.2 Å²	58.2	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.5	177.7	-57.1	0	0	0	0	110.1	R542 L543 Y592	R542-T590 HydrophobicContact CG-CG2 3.4Å; R542-T590 VanDerWaalsContact CG-CG2 3.4Å; L543-T590 WeakPolarHBondContact O-CA 3.47Å; T590-Y592 HydrophobicContact CG2-CD1 4.43Å; T590-Y592 HydrophobicContact CG2-CD2 4.45Å; T590-Y592 HydrophobicContact CG2-CE1 3.85Å; T590-Y592 HydrophobicContact CG2-CE2 3.9Å
591	I	96.8	Very high	80	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	167.4	-60	-172.9	0	0	0	108.3	V449 T451 V519 L543 I545 V593	V449-I591 HydrophobicContact CG1-CG2 3.69Å; T451-I591 HydrophobicContact CG2-CB 4.41Å; T451-I591 HydrophobicContact CG2-CD1 3.86Å; T451-I591 HydrophobicContact CG2-CG1 3.85Å; T451-I591 HydrophobicContact CG2-CG2 3.95Å; V519-I591 HydrophobicContact CG2-CD1 4.18Å; V519-I591 HydrophobicContact CG2-CG2 3.79Å; L543-I591 HydrophobicContact CB-CB 4.47Å; L543-I591 PolarHBondContact N-O 2.92Å; L543-I591 PolarHBondContact O-N 2.75Å; I545-I591 HydrophobicContact CD1-CB 4.43Å; I545-I591 HydrophobicContact CD1-CD1 3.64Å; I545-I591 HydrophobicContact CD1-CG1 4.17Å; I591-V593 HydrophobicContact CG2-CG2 4.14Å
592	Y	98.3	Very high	82.7	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.4	169.9	-56.2	-79.1	0	0	0	110.1	V364 E367 L368 I450 R541 R542 T590	V364-Y592 HydrophobicContact CB-CE1 4.31Å; V364-Y592 HydrophobicContact CG1-CD1 4.45Å; V364-Y592 HydrophobicContact CG1-CD2 4.2Å; V364-Y592 HydrophobicContact CG1-CE1 4.06Å; V364-Y592 HydrophobicContact CG1-CE2 3.76Å; V364-Y592 HydrophobicContact CG2-CD1 4.18Å; V364-Y592 HydrophobicContact CG2-CE1 3.72Å; E367-Y592 WeakPolarHBondContact CB-OH 3.39Å; E367-Y592 PolarHBondContact OE2-OH 3.29Å; L368-Y592 HydrophobicContact CD2-CE2 3.98Å; L368-Y592 HydrophobicContact CG-CE2 4.16Å; I450-Y592 PolarHBondContact N-O 3.39Å; I450-Y592 PolarHBondContact O-N 3.43Å; R541-Y592 WeakPolarHBondContact O-CA 3.49Å; R542-Y592 HydrophobicContact CB-CD1 4.14Å; R542-Y592 HydrophobicContact CB-CE1 4.1Å; R542-Y592 HydrophobicContact CG-CD1 4.22Å; R542-Y592 HydrophobicContact CG-CE1 3.82Å; T590-Y592 HydrophobicContact CG2-CD1 4.43Å; T590-Y592 HydrophobicContact CG2-CD2 4.45Å; T590-Y592 HydrophobicContact CG2-CE1 3.85Å; T590-Y592 HydrophobicContact CG2-CE2 3.9Å
593	V	98.2	Very high	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.4	176.5	-177.8	0	0	0	0	107.7	L448 V449 V519 V540 R541 L543 I591	L448-V593 WeakPolarHBondContact O-CA 3.41Å; V449-V593 HydrophobicContact CG2-CG2 4.47Å; V519-V593 HydrophobicContact CG1-CG2 3.77Å; V519-V593 HydrophobicContact CG2-CG2 3.99Å; V540-V593 WeakPolarHBondContact CA-O 3.47Å; R541-V593 PolarHBondContact N-O 3.13Å; R541-V593 PolarHBondContact O-N 2.9Å; L543-V593 HydrophobicContact CD1-CB 4.21Å; L543-V593 HydrophobicContact CD1-CG2 3.69Å; I591-V593 HydrophobicContact CG2-CG2 4.14Å
594	Y	98.4	Very high	87.7	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.6	169.6	171.4	-115.4	0	0	0	109.1	W350 V354 I358 G447 L448 I535 K536 N537 S539 V540 L596	W350-Y594 HydrophobicContact CZ2-CD1 4.2Å; W350-Y594 AromaticContact CZ2-CE1 3.95Å; W350-Y594 HydrophobicContact CZ2-CE1 3.95Å; V354-Y594 HydrophobicContact CG1-CD1 3.51Å; V354-Y594 HydrophobicContact CG1-CE1 3.83Å; V354-Y594 HydrophobicContact CG1-CG 3.88Å; V354-Y594 HydrophobicContact CG2-CD1 4.32Å; V354-Y594 HydrophobicContact CG2-CE1 3.8Å; I358-Y594 HydrophobicContact CD1-CG 4.3Å; G447-Y594 CarbonylContact C-O 3.53Å; G447-Y594 WeakPolarHBondContact CA-O 3.25Å; L448-Y594 HydrophobicContact CB-CD1 4.39Å; L448-Y594 PolarHBondContact N-O 3.14Å; L448-Y594 PolarHBondContact O-N 3.11Å; I535-Y594 HydrophobicContact CD1-CD2 3.67Å; I535-Y594 HydrophobicContact CD1-CE2 3.53Å; I535-Y594 HydrophobicContact CD1-CG 4.49Å; I535-Y594 HydrophobicContact CG1-CD2 3.87Å; I535-Y594 HydrophobicContact CG1-CE2 3.38Å; K536-Y594 PolarHBondContact O-OH 3.46Å; N537-Y594 PolarHBondContact O-OH 3.45Å; S539-Y594 WeakPolarHBondContact O-CA 3.35Å; S539-Y594 WeakPolarHBondContact O-CD2 3.44Å; V540-Y594 HydrophobicContact CG2-CD2 4.03Å; Y594-L596 HydrophobicContact CE1-CD2 3.62Å; Y594-L596 HydrophobicContact CE1-CG 3.94Å; Y594-L596 WeakPolarHBondContact OH-CD2 3.39Å
595	D	97.8	Very high	90.2	Very high	34 Å²	34	46.7 Å²	46.7	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.4	175.3	-58.2	-60.3	0	0	0	109.9	R458 G538 S539 R541	R458-D595 IonicContact NH1-OD1 3.61Å; R458-D595 PolarHBondContact NH1-OD1 3.48Å; R458-D595 VanDerWaalsContact NH1-OD1 3.1Å; G538-D595 CarbonylContact C-O 3.59Å; G538-D595 WeakPolarHBondContact CA-O 3.17Å; S539-D595 PolarHBondContact N-O 3.4Å; S539-D595 PolarHBondContact O-N 2.86Å; R541-D595 IonicContact CZ-OD2 3.17Å; R541-D595 IonicContact NE-OD2 2.66Å; R541-D595 PolarHBondContact NE-OD2 3.21Å; R541-D595 VanDerWaalsContact NH2-CG 3.31Å; R541-D595 IonicContact NH2-OD1 3.51Å; R541-D595 PolarHBondContact NH2-OD1 2.83Å; R541-D595 IonicContact NH2-OD2 2.86Å; R541-D595 PolarHBondContact NH2-OD2 3.32Å
596	L	97.2	Very high	92.1	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.5	174	-74.5	165.6	0	0	0	110.6	W350 I445 T446 N537 Y594 F598 Q600	W350-L596 HydrophobicContact CH2-CD1 4.45Å; W350-L596 HydrophobicContact CZ2-CD1 3.78Å; W350-L596 HydrophobicContact CZ2-CD2 4.19Å; W350-L596 HydrophobicContact CZ2-CG 4.11Å; I445-L596 HydrophobicContact CG2-CD1 4.4Å; I445-L596 WeakPolarHBondContact O-CD1 3.41Å; T446-L596 WeakPolarHBondContact O-CB 3.49Å; T446-L596 PolarHBondContact O-N 3.08Å; N537-L596 WeakPolarHBondContact O-CA 3.21Å; Y594-L596 HydrophobicContact CE1-CD2 3.62Å; Y594-L596 HydrophobicContact CE1-CG 3.94Å; Y594-L596 WeakPolarHBondContact OH-CD2 3.39Å; L596-F598 PolarHBondContact O-N 2.85Å; L596-Q600 HydrophobicContact CD1-CG 4.15Å
597	D	96.8	Very high	93.5	Very high	99 Å²	99	37.6 Å²	37.6	53%	0.529	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-36.8	170.9	-63.6	-33.5	0	0	0	111.1	N537 G538	N537-D597 PolarHBondContact O-N 3.05Å; G538-D597 PolarHBondContact N-OD2 2.86Å
598	F	95.6	Very high	94.1	Very high	173 Å²	173	35.1 Å²	35.1	76%	0.759	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134	125.1	178.5	-60	-77.4	0	0	0	110.8	L596	L596-F598 PolarHBondContact O-N 2.85Å
599	P	94.5	Very high	94.4	Very high	53 Å²	53	33.5 Å²	33.5	34%	0.344	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.5	178	-23.8	33	0	0	0	113.2	Q444 I445 T446 H601	Q444-P599 HydrophobicContact CB-CB 3.99Å; Q444-P599 HydrophobicContact CG-CB 4.21Å; I445-P599 CarbonylContact O-C 3.58Å; I445-P599 VanDerWaalsContact O-CA 3.26Å; I445-P599 WeakPolarHBondContact O-CA 3.4Å; T446-P599 HydrophobicContact CG2-CB 4.35Å; T446-P599 HydrophobicContact CG2-CG 4.36Å; P599-H601 PolarHBondContact O-CE1 2.8Å; P599-H601 PolarHBondContact O-ND1 3.47Å
600	Q	94.1	Very high	94.3	Very high	47 Å²	47	34.4 Å²	34.4	22%	0.22	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.8	174.5	-63.7	176.9	37.9	0	0	110.4	W350 Q444 I445 L596 Y602	W350-Q600 VanDerWaalsContact CE2-NE2 3.31Å; Q444-Q600 CarbonylContact C-O 3.58Å; Q444-Q600 VanDerWaalsContact CA-O 3.3Å; Q444-Q600 WeakPolarHBondContact CA-O 3.48Å; I445-Q600 HydrophobicContact CB-CB 4.37Å; I445-Q600 PolarHBondContact N-O 3.3Å; I445-Q600 PolarHBondContact O-N 3.35Å; L596-Q600 HydrophobicContact CD1-CG 4.15Å; Q600-Y602 HydrophobicContact CB-CD2 4.27Å; Q600-Y602 HydrophobicContact CB-CE2 3.61Å; Q600-Y602 PolarHBondContact OE1-OH 3.08Å
601	H	93.4	Very high	94.3	Very high	112 Å²	112	33.7 Å²	33.7	52%	0.519	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.5	-175	-65.4	68	0	0	0	110.4	T442 V443 Q444 P599	T442-H601 HydrophobicContact CG2-CB 3.96Å; V443-H601 WeakPolarHBondContact O-CA 3.14Å; Q444-H601 PolarHBondContact NE2-NE2 3.4Å; P599-H601 PolarHBondContact O-CE1 2.8Å; P599-H601 PolarHBondContact O-ND1 3.47Å
602	Y	92.9	Very high	94.2	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.6	-179.6	-72.5	-94.2	0	0	0	111	W304 E343 R346 L347 T442 V443 I445 Q600	W304-Y602 HydrophobicContact CZ2-CD1 4.42Å; W304-Y602 HydrophobicContact CZ2-CG 4.08Å; W304-Y602 AromaticContact NE1-CD1 3.78Å; E343-Y602 HydrophobicContact CB-CD1 4.22Å; E343-Y602 WeakPolarHBondContact O-CE1 3.19Å; E343-Y602 VanDerWaalsContact OE2-CD1 3.25Å; E343-Y602 WeakPolarHBondContact OE2-CD1 3.44Å; R346-Y602 HydrophobicContact CB-CE1 4.19Å; L347-Y602 WeakPolarHBondContact CA-OH 3.5Å; L347-Y602 HydrophobicContact CB-CD1 4.41Å; L347-Y602 HydrophobicContact CB-CE1 3.76Å; L347-Y602 HydrophobicContact CD1-CE2 4.25Å; T442-Y602 CarbonylContact C-O 3.52Å; T442-Y602 VanDerWaalsContact CA-O 3.32Å; T442-Y602 WeakPolarHBondContact CA-O 3.39Å; V443-Y602 PolarHBondContact N-O 3.05Å; V443-Y602 PolarHBondContact O-N 3.18Å; I445-Y602 HydrophobicContact CB-CD2 4.46Å; I445-Y602 HydrophobicContact CB-CE2 4.31Å; I445-Y602 HydrophobicContact CG1-CD2 3.55Å; I445-Y602 HydrophobicContact CG1-CE2 3.66Å; Q600-Y602 HydrophobicContact CB-CD2 4.27Å; Q600-Y602 HydrophobicContact CB-CE2 3.61Å; Q600-Y602 PolarHBondContact OE1-OH 3.08Å
603	R	91.5	Very high	94	Very high	45 Å²	45	37.3 Å²	37.3	17%	0.17	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.9	171.1	-65.4	-66.3	-77.2	163.6	-4.4	110.1	E147 W151 W304 S338 F441 T442	E147-R603 IonicContact OE1-CZ 3.13Å; E147-R603 IonicContact OE1-NE 2.8Å; E147-R603 PolarHBondContact OE1-NE 3.16Å; E147-R603 IonicContact OE1-NH2 2.67Å; E147-R603 PolarHBondContact OE1-NH2 3.45Å; E147-R603 IonicContact OE2-CZ 3.15Å; E147-R603 IonicContact OE2-NH2 3.32Å; E147-R603 PolarHBondContact OE2-NH2 3.02Å; W151-R603 HydrophobicContact CH2-CB 3.85Å; W151-R603 VanDerWaalsContact CH2-O 3.22Å; W151-R603 WeakPolarHBondContact CH2-O 3.41Å; W151-R603 HydrophobicContact CZ3-CB 3.64Å; W304-R603 PolarHBondContact NE1-O 3Å; S338-R603 WeakPolarHBondContact OG-CG 3.22Å; F441-R603 WeakPolarHBondContact O-CA 3.43Å; F441-R603 PolarHBondContact O-NH1 3.12Å; T442-R603 VanDerWaalsContact OG1-CD 3.29Å; T442-R603 WeakPolarHBondContact OG1-CD 3.48Å; T442-R603 PolarHBondContact OG1-NH1 3.36Å
604	V	92	Very high	93.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.5	180	-67.5	0	0	0	0	110.9	W302 W304 L440 F441 V443	W302-V604 HydrophobicContact CB-CB 3.92Å; W302-V604 HydrophobicContact CB-CG2 3.65Å; W302-V604 HydrophobicContact CG-CG2 3.95Å; W304-V604 HydrophobicContact CD2-CG1 3.52Å; W304-V604 HydrophobicContact CE3-CG1 3.79Å; W304-V604 HydrophobicContact CG-CG1 4.16Å; W304-V604 HydrophobicContact CH2-CG1 3.69Å; W304-V604 HydrophobicContact CZ2-CG1 3.39Å; W304-V604 HydrophobicContact CZ3-CG1 3.87Å; L440-V604 CarbonylContact C-O 3.49Å; L440-V604 WeakPolarHBondContact CA-O 3.27Å; F441-V604 HydrophobicContact CB-CG2 4.08Å; F441-V604 PolarHBondContact N-O 3.43Å; F441-V604 PolarHBondContact O-N 3.04Å; V443-V604 HydrophobicContact CB-CG2 4.45Å; V443-V604 HydrophobicContact CG1-CG2 3.63Å; V443-V604 HydrophobicContact CG2-CG1 3.96Å; V443-V604 HydrophobicContact CG2-CG2 4.05Å
605	T	91.3	Very high	93.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134	173.7	-58	0	0	0	0	110.6	I148 W151 W302 F303 L440	I148-T605 HydrophobicContact CD1-CG2 4.48Å; W151-T605 VanDerWaalsContact CD1-OG1 3.29Å; W151-T605 PolarHBondContact NE1-OG1 2.73Å; W302-T605 CarbonylContact C-O 3.39Å; W302-T605 VanDerWaalsContact CA-O 3.3Å; W302-T605 WeakPolarHBondContact CA-O 3.37Å; F303-T605 PolarHBondContact N-O 3.06Å; F303-T605 PolarHBondContact O-N 3.5Å; L440-T605 WeakPolarHBondContact CD2-OG1 3.48Å
606	F	92.1	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124	168.1	-173.4	-98.8	0	0	0	110.1	G301 W302 A412 Y426 V432 N435 L436 K439 F441 L470	G301-F606 CarbonylContact O-C 3.37Å; G301-F606 WeakPolarHBondContact O-CA 3.41Å; G301-F606 WeakPolarHBondContact O-CD2 3.38Å; W302-F606 HydrophobicContact CD2-CD2 4Å; W302-F606 AromaticContact CE2-CD2 3.59Å; W302-F606 HydrophobicContact CG-CD2 4.25Å; W302-F606 AromaticContact CZ2-CD2 3.89Å; W302-F606 HydrophobicContact CZ2-CD2 3.89Å; W302-F606 HydrophobicContact CZ2-CE2 4.19Å; W302-F606 AromaticContact NE1-CD2 3.64Å; A412-F606 HydrophobicContact CB-CE2 3.95Å; Y426-F606 WeakPolarHBondContact OH-CZ 3.49Å; V432-F606 HydrophobicContact CG1-CE1 4.17Å; V432-F606 HydrophobicContact CG1-CZ 4.49Å; N435-F606 HydrophobicContact CB-CB 4.47Å; N435-F606 HydrophobicContact CB-CD1 3.67Å; N435-F606 HydrophobicContact CB-CE1 4.3Å; N435-F606 HydrophobicContact CB-CG 4.35Å; L436-F606 HydrophobicContact CD2-CD1 4.32Å; L436-F606 HydrophobicContact CD2-CE1 4.15Å; L436-F606 HydrophobicContact CG-CE1 4.34Å; K439-F606 PolarHBondContact O-N 3.34Å; K439-F606 VanDerWaalsContact O-N 3.12Å; F441-F606 HydrophobicContact CD2-CB 3.99Å; F441-F606 HydrophobicContact CE2-CB 3.52Å; F441-F606 HydrophobicContact CE2-CG 4.5Å; L470-F606 HydrophobicContact CB-CE2 4.18Å; L470-F606 HydrophobicContact CB-CZ 4.43Å; L470-F606 HydrophobicContact CD1-CD2 4.25Å; L470-F606 HydrophobicContact CD1-CE2 4.48Å; L470-F606 HydrophobicContact CD1-CG 4.27Å; L470-F606 HydrophobicContact CD2-CE1 4.12Å; L470-F606 HydrophobicContact CD2-CZ 4.12Å
607	A	91.7	Very high	92.9	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	-177	-174.9	0	0	0	0	0	111.6	F255 G301 F303 L436	F255-A607 HydrophobicContact CD1-CB 4.12Å; G301-A607 PolarHBondContact N-O 2.75Å; G301-A607 PolarHBondContact O-N 3.44Å; F303-A607 HydrophobicContact CD2-CB 3.78Å; F303-A607 HydrophobicContact CE2-CB 4.03Å; F303-A607 WeakPolarHBondContact CE2-O 3.45Å; L436-A607 VanDerWaalsContact CD2-C 3.46Å
608	A	92.1	Very high	92.6	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.1	175.8	0	0	0	0	0	109.8	P297 Y300 L436 Y610	P297-A608 HydrophobicContact CB-CB 3.73Å; P297-A608 HydrophobicContact CG-CB 3.67Å; Y300-A608 HydrophobicContact CD1-CB 4.13Å; Y300-A608 HydrophobicContact CE1-CB 4.35Å; L436-A608 HydrophobicContact CD2-CB 3.68Å; A608-Y610 HydrophobicContact CB-CD2 4.18Å; A608-Y610 HydrophobicContact CB-CE2 3.54Å
609	S	91.7	Very high	92.3	Very high	30 Å²	30	28.6 Å²	28.6	21%	0.21	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.8	171.1	-176.3	0	0	0	0	109.2	P297 C298 Y299	P297-S609 VanDerWaalsContact CB-O 3.23Å; P297-S609 WeakPolarHBondContact CB-O 3.23Å; C298-S609 WeakPolarHBondContact CB-O 3.38Å; C298-S609 PolarHBondContact N-O 2.57Å; Y299-S609 PolarHBondContact O-N 3.03Å; Y299-S609 PolarHBondContact OH-OG 3.48Å
610	Y	90.5	Very high	92.1	Very high	34 Å²	34	26.4 Å²	26.4	13%	0.133	13%	0.125	C	C	.	.			trans	-84.9	0	-178.2	-69.3	-87.3	0	0	0	114.2	T246 V256 M258 I295 P297 Y417 A608	T246-Y610 HydrophobicContact CG2-CG 4.25Å; V256-Y610 HydrophobicContact CB-CD2 3.83Å; V256-Y610 HydrophobicContact CB-CE2 4.26Å; V256-Y610 HydrophobicContact CG1-CD2 3.88Å; V256-Y610 HydrophobicContact CG1-CE2 4.07Å; M258-Y610 HydrophobicContact CE-CD1 3.93Å; M258-Y610 HydrophobicContact CE-CD2 4.3Å; M258-Y610 HydrophobicContact CE-CE1 4.01Å; M258-Y610 HydrophobicContact CE-CE2 4.34Å; M258-Y610 HydrophobicContact CE-CG 4.08Å; M258-Y610 HydrophobicContact CG-CE1 4.01Å; M258-Y610 HydrophobicContact CG-CE2 3.77Å; M258-Y610 VanDerWaalsContact CG-CZ 3.44Å; M258-Y610 WeakPolarHBondContact CG-OH 3.48Å; I295-Y610 HydrophobicContact CB-CE1 4.46Å; I295-Y610 HydrophobicContact CG2-CD1 3.85Å; I295-Y610 HydrophobicContact CG2-CE1 3.83Å; P297-Y610 HydrophobicContact CB-CD1 3.86Å; P297-Y610 HydrophobicContact CB-CD2 4.46Å; P297-Y610 HydrophobicContact CB-CE1 3.93Å; P297-Y610 HydrophobicContact CB-CG 4.14Å; P297-Y610 HydrophobicContact CG-CE1 4.43Å; Y417-Y610 WeakPolarHBondContact CE1-OXT 3.06Å; A608-Y610 HydrophobicContact CB-CD2 4.18Å; A608-Y610 HydrophobicContact CB-CE2 3.54Å

Retrieved 610 of 610 residues in 188.5 ms (Link to these results)

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