A0A087XLH6_POEFO Loading...

Beta-hexosaminidase

Hydrolyzes the non-reducing end N-acetyl-D-hexosamine and/or sulfated N-acetyl-D-hexosamine of glycoconjugates, such as the oligosaccharide moieties from proteins and neutral glycolipids, or from certain mucopolysaccharides. The isozyme S is as active as the isozyme A on the anionic bis-sulfated glycans, the chondroitin-6-sulfate trisaccharide (C6S-3), and the dermatan sulfate pentasaccharide, and the sulfated glycosphingolipid SM2. The isozyme B does not hydrolyze each of these substrates, however hydrolyzes efficiently neutral oligosaccharide. Only the isozyme A is responsible for the degradation of GM2 gangliosides in the presence of GM2A.

AlphaFold DB , UniProt , Accession A0A087XLH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 540 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	34.4	Very low	30.2	Very low	244 Å²	244	149.2 Å²	149.2	100%	1.202	85%	0.846	S	S	*	*				0	74.7	0	-127.9	162	151.3	0	0	107.4
2	K	28.6	Very low	30.5	Very low	184 Å²	184	146.4 Å²	146.4	80%	0.8	84%	0.841	S	S	*	*				45.8	102.4	112.6	-86.7	-171.3	177.9	-179.4	0	114.5
3	V	29.6	Very low	31	Very low	152 Å²	152	144.3 Å²	144.3	92%	0.921	83%	0.832	S	S	*	*				-136.4	130.1	121.4	-177.9	0	0	0	0	107.6
4	M	25.5	Very low	31.2	Very low	161 Å²	161	144.4 Å²	144.4	79%	0.793	83%	0.827	S	S	*	*			trans	-82.7	159.7	-170	-79	158	79.1	0	0	113.2
5	C	28.3	Very low	31.6	Very low	121 Å²	121	143.7 Å²	143.7	82%	0.818	82%	0.818	S	S	*	*			trans	-52.2	153.6	172.6	-58.5	0	0	0	0	115.5
6	S	24.9	Very low	31.6	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	82%	0.815	S	S	*	*			trans	-146.2	108.1	136	-179.1	0	0	0	0	108.7
7	V	32.1	Very low	31.8	Very low	128 Å²	128	147.8 Å²	147.8	78%	0.776	81%	0.809	S	S	*	*			trans	-102.2	121.8	167.7	174.2	0	0	0	0	105.4
8	N	27	Very low	32.1	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	80%	0.796	S	S	*	*			trans	-118.8	132.3	161	-121.3	-7.2	0	0	0	108.5
9	P	37.2	Very low	32.2	Very low	118 Å²	118	145.4 Å²	145.4	77%	0.766	79%	0.786	S	S	*	*			trans	-91	120.4	-172.1	34.3	-29	0	0	0	109.9
10	G	34.2	Very low	32.3	Very low	67 Å²	67	143.3 Å²	143.3	69%	0.691	77%	0.773	S	S	*	*			trans	157.5	81.8	172.2	0	0	0	0	0	112.5
11	H	30.2	Very low	32.2	Very low	199 Å²	199	141.6 Å²	141.6	92%	0.921	76%	0.763	S	S	*	*			trans	177	78.7	142.6	-94.1	24.6	0	0	0	107.4
12	C	33.9	Very low	32	Very low	116 Å²	116	134.6 Å²	134.6	78%	0.784	73%	0.73	S	S	*	*			trans	-75.9	156.8	162.7	-133.2	0	0	0	0	108.7
13	T	37.1	Very low	32.2	Very low	119 Å²	119	130.6 Å²	130.6	73%	0.73	72%	0.717	S	S	*	*	S	Bend	trans	71.7	55.2	155.5	55.3	0	0	0	0	119.2
14	L	34.5	Very low	32.2	Very low	146 Å²	146	128.9 Å²	128.9	76%	0.764	70%	0.701	S	S	*	*	S	Bend	trans	-143.7	-21.7	147.8	-141.7	78.5	0	0	0	115.1
15	I	36.2	Very low	32.4	Very low	133 Å²	133	125.5 Å²	125.5	68%	0.682	69%	0.685	S	S	*	*	H	α-helix	trans	-81.5	-17.8	-177.5	-64.9	170.3	0	0	0	113.4	Y17 F19	I15-Y17 PolarHBondContact O-N 3.31Å; I15-F19 HydrophobicContact CG2-CD2 4.44Å
16	K	32.7	Very low	32.5	Very low	177 Å²	177	125.9 Å²	125.9	77%	0.77	68%	0.675	S	S	*	*	H	α-helix	trans	-73	-24.7	179.8	-84.9	-174.9	173.8	-178.4	0	114.3	L20	K16-L20 PolarHBondContact O-N 3.04Å
17	Y	34	Very low	33.2	Very low	181 Å²	181	127 Å²	127	71%	0.71	67%	0.671	S	S	*	*	H	α-helix	trans	-82.7	-26.1	179.3	-81.9	-79.2	0	0	0	113.4	I15 L21	I15-Y17 PolarHBondContact O-N 3.31Å; Y17-L21 PolarHBondContact O-N 2.96Å; Y17-L21 VanDerWaalsContact O-N 3.09Å
18	I	37.7	Very low	33.3	Very low	113 Å²	113	122.8 Å²	122.8	58%	0.579	65%	0.653	S	S	*	*	H	α-helix	trans	-76.8	-35.8	176.5	-63	175	0	0	0	110.9	L22	I18-L22 HydrophobicContact CG2-CD1 4.17Å; I18-L22 PolarHBondContact O-N 2.87Å; I18-L22 VanDerWaalsContact O-N 3.09Å
19	F	34	Very low	33.6	Very low	137 Å²	137	120.8 Å²	120.8	60%	0.601	64%	0.642	S	S	*	*	H	α-helix	trans	-70.5	-33.9	172.7	-102.8	-86.6	0	0	0	113.1	I15 I23	I15-F19 HydrophobicContact CG2-CD2 4.44Å; F19-I23 WeakPolarHBondContact O-CD1 3.46Å; F19-I23 VanDerWaalsContact O-CG1 3.29Å; F19-I23 WeakPolarHBondContact O-CG1 3.34Å; F19-I23 PolarHBondContact O-N 2.74Å; F19-I23 VanDerWaalsContact O-N 3.14Å
20	L	34.1	Very low	34.1	Very low	103 Å²	103	119 Å²	119	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-70.9	-36.4	174.6	-125.6	85.1	0	0	0	112.2	K16 I23 I24	K16-L20 PolarHBondContact O-N 3.04Å; L20-I23 PolarHBondContact O-N 2.89Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.38Å; L20-I24 PolarHBondContact O-N 3.5Å; L20-I24 VanDerWaalsContact O-N 3.08Å
21	L	30.8	Very low	34.9	Very low	108 Å²	108	116.6 Å²	116.6	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-67.3	-37.4	174.1	-111.8	89.8	0	0	0	112.3	Y17 I23 I24 I25	Y17-L21 PolarHBondContact O-N 2.96Å; Y17-L21 VanDerWaalsContact O-N 3.09Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-I23 PolarHBondContact O-N 3.04Å; L21-I24 PolarHBondContact O-N 3.2Å; L21-I25 WeakPolarHBondContact O-CD1 3.39Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3Å
22	L	30.1	Very low	35.8	Very low	96 Å²	96	107.2 Å²	107.2	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-32.2	175.4	-91.8	150.9	0	0	0	113	I18 H26	I18-L22 HydrophobicContact CG2-CD1 4.17Å; I18-L22 PolarHBondContact O-N 2.87Å; I18-L22 VanDerWaalsContact O-N 3.09Å; L22-H26 PolarHBondContact O-N 2.75Å
23	I	32.2	Very low	37	Very low	101 Å²	101	107.3 Å²	107.3	52%	0.518	54%	0.544	S	S	.	.	H	α-helix	trans	-74.9	-34.6	175.8	-68.9	167.8	0	0	0	111.6	F19 L20 L21	F19-I23 WeakPolarHBondContact O-CD1 3.46Å; F19-I23 VanDerWaalsContact O-CG1 3.29Å; F19-I23 WeakPolarHBondContact O-CG1 3.34Å; F19-I23 PolarHBondContact O-N 2.74Å; F19-I23 VanDerWaalsContact O-N 3.14Å; L20-I23 PolarHBondContact O-N 2.89Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-I23 PolarHBondContact O-N 3.04Å
24	I	29.8	Very low	38.6	Very low	115 Å²	115	102.8 Å²	102.8	59%	0.59	52%	0.517	S	S	*	.	H	α-helix	trans	-75.5	-29.6	177.8	-65.2	167.7	0	0	0	111.5	L20 L21	L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.38Å; L20-I24 PolarHBondContact O-N 3.5Å; L20-I24 VanDerWaalsContact O-N 3.08Å; L21-I24 PolarHBondContact O-N 3.2Å
25	I	28.9	Very low	41.1	Very low	90 Å²	90	95.8 Å²	95.8	46%	0.462	48%	0.48	S	S	.	.	H	α-helix	trans	-75	-23.2	176.5	-66.3	165.9	0	0	0	112.3	L21 L29	L21-I25 WeakPolarHBondContact O-CD1 3.39Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3Å; I25-L29 HydrophobicContact CG2-CD1 3.98Å
26	H	32.1	Very low	43.8	Very low	130 Å²	130	89.5 Å²	89.5	60%	0.602	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.1	177.6	-93.1	1.2	0	0	0	115.7	L22 N30	L22-H26 PolarHBondContact O-N 2.75Å; H26-N30 PolarHBondContact O-ND2 3.11Å
27	L	38.3	Very low	46.6	Very low	140 Å²	140	81 Å²	81	73%	0.733	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-17.5	179.5	-77.7	154.9	0	0	0	113.3
28	G	33.8	Very low	49.4	Very low	38 Å²	38	74 Å²	74	39%	0.392	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-18.5	-174.3	0	0	0	0	0	116.6
29	L	33.1	Very low	52	Low	110 Å²	110	68.7 Å²	68.7	58%	0.576	36%	0.358	S	S	*	.	S	Bend	trans	-97.3	-7.5	-171.3	-95.8	128.5	0	0	0	115.4	I25	I25-L29 HydrophobicContact CG2-CD1 3.98Å
30	N	48.7	Very low	54.7	Low	79 Å²	79	62.5 Å²	62.5	42%	0.422	33%	0.331	S	S	.	.			trans	-103.7	-1.1	-160.9	-74.1	-25	0	0	0	116.6	H26 S34	H26-N30 PolarHBondContact O-ND2 3.11Å; N30-S34 WeakPolarHBondContact O-CB 3.46Å; N30-S34 PolarHBondContact O-N 3.26Å
31	T	52	Low	57.4	Low	18 Å²	18	61.3 Å²	61.3	11%	0.11	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-41	-170.1	56.2	0	0	0	0	112.6	E33 S34 Y160 N170	T31-E33 VanDerWaalsContact C-N 3.35Å; T31-S34 WeakPolarHBondContact O-CB 3.29Å; T31-S34 PolarHBondContact O-N 3.27Å; T31-S34 PolarHBondContact O-OG 3.12Å; T31-Y160 HydrophobicContact CG2-CD1 3.54Å; T31-Y160 HydrophobicContact CG2-CD2 4.38Å; T31-Y160 HydrophobicContact CG2-CE1 3.52Å; T31-Y160 HydrophobicContact CG2-CE2 4.33Å; T31-Y160 HydrophobicContact CG2-CG 4Å; T31-N170 PolarHBondContact OG1-ND2 3.09Å; T31-N170 PolarHBondContact OG1-OD1 3.28Å; T31-N170 VanDerWaalsContact OG1-OD1 3.09Å
32	A	49	Very low	60.2	Low	2 Å²	2	58 Å²	58	2%	0.017	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-71.3	-29.7	175.1	0	0	0	0	0	113	S34 V42 P44 L158 T172	A32-S34 PolarHBondContact O-N 2.61Å; A32-V42 HydrophobicContact CB-CG1 3.92Å; A32-P44 HydrophobicContact CB-CB 3.71Å; A32-L158 HydrophobicContact CB-CD2 4.27Å; A32-T172 HydrophobicContact CB-CG2 4.14Å
33	E	57.5	Low	63	Low	118 Å²	118	58.1 Å²	58.1	55%	0.551	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-76.1	-9.4	172.1	-67.3	-168	172.2	0	0	112.3	T31 V35 R510	T31-E33 VanDerWaalsContact C-N 3.35Å; E33-V35 VanDerWaalsContact C-N 3.35Å; E33-V35 PolarHBondContact O-N 3.46Å; E33-R510 WeakPolarHBondContact O-CD 3.37Å; E33-R510 VanDerWaalsContact O-CG 3.25Å; E33-R510 WeakPolarHBondContact O-CG 3.06Å
34	S	71.4	Confident	65.6	Low	23 Å²	23	56.5 Å²	56.5	16%	0.161	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-84.4	-1.6	-177.8	76.6	0	0	0	0	115.4	N30 T31 A32	N30-S34 WeakPolarHBondContact O-CB 3.46Å; N30-S34 PolarHBondContact O-N 3.26Å; T31-S34 WeakPolarHBondContact O-CB 3.29Å; T31-S34 PolarHBondContact O-N 3.27Å; T31-S34 PolarHBondContact O-OG 3.12Å; A32-S34 PolarHBondContact O-N 2.61Å
35	V	87.9	Confident	68.4	Low	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.288	C	S	.	.			trans	-72.6	141.2	-173.6	-178.3	0	0	0	0	111.2	E33 P39 T154 Q157 L158 R510	E33-V35 VanDerWaalsContact C-N 3.35Å; E33-V35 PolarHBondContact O-N 3.46Å; V35-P39 HydrophobicContact CG1-CG 4.12Å; V35-T154 HydrophobicContact CG1-CG2 4.11Å; V35-Q157 HydrophobicContact CG2-CB 4.48Å; V35-L158 HydrophobicContact CG2-CD2 3.77Å; V35-L158 HydrophobicContact CG2-CG 4.37Å; V35-R510 PolarHBondContact O-NH1 3.01Å
36	W	91	Very high	71	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-132	130.8	175.8	-165.1	-78.8	0	0	0	111.8	Q157 W441 Y445 S488 E492 A507 R510 L511 F514	W36-Q157 PolarHBondContact O-NE2 3.3Å; W36-Q157 PolarHBondContact O-OE1 2.63Å; W36-Q157 VanDerWaalsContact O-OE1 3.09Å; W36-W441 HydrophobicContact CH2-CZ3 4.4Å; W36-Y445 HydrophobicContact CH2-CD2 4.04Å; W36-Y445 AromaticContact CH2-CE2 3.68Å; W36-Y445 HydrophobicContact CH2-CE2 3.68Å; W36-Y445 HydrophobicContact CZ2-CD2 4.34Å; W36-Y445 HydrophobicContact CZ2-CE2 4.19Å; W36-S488 WeakPolarHBondContact CZ2-O 3.46Å; W36-S488 PolarHBondContact NE1-O 2.94Å; W36-E492 HydrophobicContact CH2-CB 4.27Å; W36-E492 HydrophobicContact CZ2-CB 3.56Å; W36-E492 HydrophobicContact CZ2-CG 4.29Å; W36-A507 HydrophobicContact CH2-CB 4.1Å; W36-A507 HydrophobicContact CZ3-CB 3.97Å; W36-A507 WeakPolarHBondContact CZ3-O 3.36Å; W36-R510 HydrophobicContact CE3-CB 3.9Å; W36-R510 VanDerWaalsContact CE3-NH1 3.3Å; W36-R510 HydrophobicContact CZ3-CB 4.31Å; W36-L511 HydrophobicContact CD2-CB 4.44Å; W36-L511 HydrophobicContact CD2-CD1 3.88Å; W36-L511 HydrophobicContact CE3-CB 3.87Å; W36-L511 HydrophobicContact CE3-CD1 4.19Å; W36-L511 HydrophobicContact CG-CD1 4.48Å; W36-L511 HydrophobicContact CH2-CB 3.93Å; W36-L511 HydrophobicContact CH2-CD1 4.11Å; W36-L511 HydrophobicContact CH2-CD2 4.16Å; W36-L511 HydrophobicContact CH2-CG 4.28Å; W36-L511 HydrophobicContact CZ2-CB 4.48Å; W36-L511 HydrophobicContact CZ2-CD1 3.8Å; W36-L511 HydrophobicContact CZ2-CD2 4.34Å; W36-L511 HydrophobicContact CZ2-CG 4.42Å; W36-L511 HydrophobicContact CZ3-CB 3.59Å; W36-L511 HydrophobicContact CZ3-CD1 4.31Å; W36-L511 HydrophobicContact CZ3-CG 4.38Å; W36-F514 HydrophobicContact CB-CB 3.8Å; W36-F514 HydrophobicContact CB-CD1 4.07Å; W36-F514 HydrophobicContact CB-CD2 3.97Å; W36-F514 HydrophobicContact CB-CG 3.68Å; W36-F514 AromaticContact CD1-CD1 3.72Å; W36-F514 AromaticContact CD1-CE1 3.87Å; W36-F514 HydrophobicContact CG-CB 4.24Å; W36-F514 AromaticContact CG-CD1 3.92Å; W36-F514 HydrophobicContact CG-CD1 3.92Å; W36-F514 HydrophobicContact CG-CE1 4.45Å; W36-F514 HydrophobicContact CG-CG 4.03Å
37	P	92.8	Very high	73.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.29	C	S	.	.	S	Bend	cis	-51.9	149.9	-24.7	-29.4	39	0	0	0	113.7	K210 A491 E492 W495	P37-K210 HydrophobicContact CB-CD 4.4Å; P37-K210 HydrophobicContact CG-CB 4.44Å; P37-K210 HydrophobicContact CG-CD 4.05Å; P37-K210 HydrophobicContact CG-CG 4Å; P37-K210 PolarHBondContact O-NZ 3.32Å; P37-A491 HydrophobicContact CG-CB 4.44Å; P37-E492 VanDerWaalsContact CA-OE2 3.32Å; P37-E492 WeakPolarHBondContact CA-OE2 3.35Å; P37-E492 HydrophobicContact CB-CB 4.08Å; P37-E492 HydrophobicContact CB-CG 4.17Å; P37-E492 HydrophobicContact CG-CB 4.37Å; P37-W495 HydrophobicContact CB-CB 3.87Å; P37-W495 HydrophobicContact CB-CG 3.91Å; P37-W495 HydrophobicContact CG-CB 4.05Å; P37-W495 HydrophobicContact CG-CG 4.27Å
38	L	92.4	Very high	75.9	Confident	33 Å²	33	52 Å²	52	17%	0.173	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.2	125.1	175.4	-171	69.6	0	0	0	111.2	E492 S496 T501	L38-E492 PolarHBondContact N-OE2 3.47Å; L38-S496 PolarHBondContact N-OG 2.92Å; L38-S496 VanDerWaalsContact O-CB 3.3Å; L38-S496 WeakPolarHBondContact O-CB 3.34Å; L38-S496 PolarHBondContact O-OG 3.49Å; L38-T501 HydrophobicContact CB-CG2 4.09Å; L38-T501 HydrophobicContact CD2-CG2 3.95Å
39	P	91.7	Very high	78.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.013	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-63.8	158.1	176.5	-21.7	33.1	0	0	0	113.3	V35 I41 V42 T154 I174 D176	V35-P39 HydrophobicContact CG1-CG 4.12Å; P39-I41 PolarHBondContact O-N 3.08Å; P39-V42 HydrophobicContact CB-CG2 3.66Å; P39-V42 HydrophobicContact CG-CG2 3.73Å; P39-T154 HydrophobicContact CG-CG2 4.42Å; P39-I174 HydrophobicContact CB-CG2 3.58Å; P39-I174 HydrophobicContact CG-CD1 4.35Å; P39-I174 HydrophobicContact CG-CG2 3.9Å; P39-D176 VanDerWaalsContact CA-OD1 3.29Å; P39-D176 WeakPolarHBondContact CA-OD1 3.4Å; P39-D176 HydrophobicContact CB-CB 3.99Å
40	Q	90.9	Very high	81.1	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.033	26%	0.262	C	S	.	.	S	Bend	trans	-60	-44.3	178.7	-63.1	-69.5	-20.7	0	0	113.1	D176 Y177 W495 Q500	Q40-D176 PolarHBondContact N-OD1 2.94Å; Q40-Y177 HydrophobicContact CB-CD1 4.39Å; Q40-Y177 HydrophobicContact CB-CE1 4.01Å; Q40-Y177 HydrophobicContact CG-CD1 4Å; Q40-Y177 HydrophobicContact CG-CD2 3.99Å; Q40-Y177 HydrophobicContact CG-CE1 3.89Å; Q40-Y177 HydrophobicContact CG-CE2 3.87Å; Q40-Y177 HydrophobicContact CG-CG 4.05Å; Q40-Y177 WeakPolarHBondContact CG-O 3.33Å; Q40-Y177 PolarHBondContact NE2-O 3.29Å; Q40-W495 PolarHBondContact NE2-O 3.23Å; Q40-Q500 PolarHBondContact O-OE1 2.91Å
41	I	91	Very high	82.8	Confident	77 Å²	77	47 Å²	47	40%	0.395	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.8	179.1	-54	176	0	0	0	108.6	P39 I43 I174 E175	P39-I41 PolarHBondContact O-N 3.08Å; I41-I43 HydrophobicContact CG2-CG1 4.41Å; I41-I174 WeakPolarHBondContact O-CA 3.47Å; I41-E175 HydrophobicContact CB-CB 4.28Å; I41-E175 HydrophobicContact CD1-CB 4.45Å; I41-E175 PolarHBondContact N-O 2.96Å; I41-E175 PolarHBondContact O-N 3.46Å; I41-E175 VanDerWaalsContact O-N 3.09Å
42	V	89.5	Confident	84.4	Confident	40 Å²	40	50 Å²	50	24%	0.242	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.9	175.4	-176.2	0	0	0	0	108.6	A32 P39 P44 T172 I174	A32-V42 HydrophobicContact CB-CG1 3.92Å; P39-V42 HydrophobicContact CB-CG2 3.66Å; P39-V42 HydrophobicContact CG-CG2 3.73Å; V42-P44 WeakPolarHBondContact O-CD 3.41Å; V42-T172 HydrophobicContact CG1-CG2 3.95Å; V42-I174 HydrophobicContact CG1-CG1 4.37Å; V42-I174 HydrophobicContact CG2-CG1 4.44Å
43	I	90.1	Very high	86	Confident	98 Å²	98	50.8 Å²	50.8	50%	0.503	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	93.9	174.8	-54.7	173.3	0	0	0	107.1	I41 T172 E173	I41-I43 HydrophobicContact CG2-CG1 4.41Å; I43-T172 WeakPolarHBondContact O-CA 3.43Å; I43-E173 HydrophobicContact CB-CB 4.26Å; I43-E173 PolarHBondContact N-O 3.4Å; I43-E173 PolarHBondContact O-N 2.87Å; I43-E173 VanDerWaalsContact O-N 3.08Å
44	P	86.5	Confident	87.1	Confident	67 Å²	67	51.4 Å²	51.4	44%	0.435	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	153.9	-179.6	33.2	-35.1	0	0	0	111.9	A32 V42	A32-P44 HydrophobicContact CB-CB 3.71Å; V42-P44 WeakPolarHBondContact O-CD 3.41Å
45	S	87.1	Confident	87.5	Confident	34 Å²	34	51.2 Å²	51.2	24%	0.238	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148	169.3	170.1	0	0	0	0	110.2	E47 N170 K171	S45-E47 PolarHBondContact O-N 2.94Å; S45-E47 PolarHBondContact OG-N 2.68Å; S45-N170 PolarHBondContact O-ND2 2.76Å; S45-K171 WeakPolarHBondContact CB-O 3.44Å; S45-K171 PolarHBondContact N-O 3.21Å
46	P	83.6	Confident	87.3	Confident	108 Å²	108	51.8 Å²	51.8	70%	0.701	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	-11	176.4	31	-37	0	0	0	113.4	R48	P46-R48 PolarHBondContact O-N 2.84Å
47	E	86.9	Confident	87	Confident	83 Å²	83	53.8 Å²	53.8	39%	0.388	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.1	177.9	-165.1	-177.2	163.1	0	0	110.1	S45 Y49 N170 K171	S45-E47 PolarHBondContact O-N 2.94Å; S45-E47 PolarHBondContact OG-N 2.68Å; E47-Y49 HydrophobicContact CG-CE1 4.08Å; E47-Y49 WeakPolarHBondContact OE1-CE1 3.49Å; E47-Y49 PolarHBondContact OE1-OH 2.9Å; E47-Y49 PolarHBondContact OE2-OH 2.93Å; E47-N170 CarbonylContact O-C 3.54Å; E47-N170 WeakPolarHBondContact O-CA 3.22Å; E47-K171 HydrophobicContact CB-CB 4.07Å; E47-K171 HydrophobicContact CB-CD 4.39Å; E47-K171 PolarHBondContact O-N 3.18Å; E47-K171 VanDerWaalsContact OE2-CD 3.23Å; E47-K171 WeakPolarHBondContact OE2-CD 3.36Å; E47-K171 IonicContact OE2-NZ 2.68Å; E47-K171 PolarHBondContact OE2-NZ 3.14Å
48	R	87.1	Confident	86.5	Confident	156 Å²	156	54.6 Å²	54.6	59%	0.589	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.5	-177.5	69	-179.4	-175.1	174.4	3	111.6	P46	P46-R48 PolarHBondContact O-N 2.84Å
49	Y	87.9	Confident	85.7	Confident	27 Å²	27	53.9 Å²	53.9	11%	0.106	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.6	176.9	-54.1	-58.3	0	0	0	110	E47 V130 F131 A132 Y168 V169 K171	E47-Y49 HydrophobicContact CG-CE1 4.08Å; E47-Y49 WeakPolarHBondContact OE1-CE1 3.49Å; E47-Y49 PolarHBondContact OE1-OH 2.9Å; E47-Y49 PolarHBondContact OE2-OH 2.93Å; Y49-V130 HydrophobicContact CD2-CG1 4.15Å; Y49-V130 HydrophobicContact CE2-CG1 4.42Å; Y49-F131 WeakPolarHBondContact CE2-O 3.44Å; Y49-A132 HydrophobicContact CD1-CB 4.34Å; Y49-A132 VanDerWaalsContact CE1-CA 3.46Å; Y49-A132 HydrophobicContact CE1-CB 3.59Å; Y49-A132 VanDerWaalsContact CZ-CA 3.48Å; Y49-A132 VanDerWaalsContact CZ-N 3.27Å; Y49-A132 PolarHBondContact OH-N 2.79Å; Y49-Y168 CarbonylContact O-C 3.57Å; Y49-Y168 VanDerWaalsContact O-CA 3.25Å; Y49-Y168 WeakPolarHBondContact O-CA 3.26Å; Y49-V169 PolarHBondContact N-O 2.82Å; Y49-V169 PolarHBondContact O-N 3.05Å; Y49-K171 HydrophobicContact CE2-CB 3.74Å; Y49-K171 HydrophobicContact CE2-CG 4.45Å
50	Q	87.4	Confident	84.9	Confident	92 Å²	92	57.3 Å²	57.3	43%	0.43	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.9	176.8	-167.1	178.1	18.3	0	0	110	Y168	Q50-Y168 HydrophobicContact CB-CD1 4.07Å; Q50-Y168 HydrophobicContact CB-CE1 3.85Å; Q50-Y168 HydrophobicContact CG-CD1 4.34Å; Q50-Y168 HydrophobicContact CG-CE1 3.89Å
51	L	85.9	Confident	83.9	Confident	3 Å²	3	64 Å²	64	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121	174.4	-61.6	176.5	0	0	0	109.2	F56 F85 F103 F155 V159 Y167 V169	L51-F56 HydrophobicContact CD2-CD2 4.26Å; L51-F85 HydrophobicContact CB-CZ 4.38Å; L51-F103 HydrophobicContact CD2-CB 3.98Å; L51-F103 HydrophobicContact CD2-CD1 3.5Å; L51-F103 HydrophobicContact CD2-CD2 3.64Å; L51-F103 HydrophobicContact CD2-CE1 3.81Å; L51-F103 HydrophobicContact CD2-CE2 3.94Å; L51-F103 HydrophobicContact CD2-CG 3.4Å; L51-F103 VanDerWaalsContact CD2-CG 3.4Å; L51-F103 HydrophobicContact CD2-CZ 4.02Å; L51-F155 HydrophobicContact CD1-CZ 4.48Å; L51-V159 HydrophobicContact CD1-CB 4.36Å; L51-V159 HydrophobicContact CD1-CG1 3.95Å; L51-V159 HydrophobicContact CD1-CG2 3.48Å; L51-V159 VanDerWaalsContact CD1-CG2 3.48Å; L51-Y167 PolarHBondContact N-O 3.4Å; L51-Y167 WeakPolarHBondContact O-CB 3.5Å; L51-V169 HydrophobicContact CD1-CB 4.04Å; L51-V169 HydrophobicContact CD1-CG1 4.01Å; L51-V169 HydrophobicContact CD2-CG1 4.06Å; L51-V169 HydrophobicContact CG-CG1 4.04Å
52	K	84.8	Confident	82.1	Confident	80 Å²	80	72.2 Å²	72.2	35%	0.348	35%	0.345	S	S	.	.			trans	-101.6	123.7	173.9	-68.2	172.2	-178.5	166.2	0	108.4	Q54 S55 F56 E101	K52-Q54 PolarHBondContact O-N 3.31Å; K52-Q54 VanDerWaalsContact O-N 3.13Å; K52-S55 PolarHBondContact O-N 2.99Å; K52-S55 VanDerWaalsContact O-N 3.11Å; K52-F56 PolarHBondContact O-N 3.07Å; K52-F56 VanDerWaalsContact O-N 3.17Å; K52-E101 IonicContact NZ-OE2 2.78Å; K52-E101 PolarHBondContact NZ-OE2 3.29Å
53	P	82.1	Confident	80.2	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.123	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-55	-34.6	-178.2	-24.7	31	0	0	0	113.6	F85 Y88 Y167	P53-F85 HydrophobicContact CB-CB 4.28Å; P53-F85 HydrophobicContact CB-CD1 3.93Å; P53-F85 HydrophobicContact CB-CD2 4.3Å; P53-F85 HydrophobicContact CB-CE1 4.32Å; P53-F85 HydrophobicContact CB-CG 3.91Å; P53-F85 HydrophobicContact CG-CD1 3.62Å; P53-F85 HydrophobicContact CG-CE1 3.95Å; P53-F85 HydrophobicContact CG-CG 4.1Å; P53-Y88 HydrophobicContact CB-CD1 3.95Å; P53-Y88 HydrophobicContact CB-CD2 4.02Å; P53-Y88 HydrophobicContact CB-CE1 4.1Å; P53-Y88 HydrophobicContact CB-CE2 4.17Å; P53-Y88 HydrophobicContact CB-CG 3.91Å; P53-Y88 HydrophobicContact CG-CD2 4.19Å; P53-Y88 HydrophobicContact CG-CE1 4.45Å; P53-Y88 HydrophobicContact CG-CE2 3.95Å; P53-Y167 HydrophobicContact CG-CD2 4.22Å; P53-Y167 HydrophobicContact CG-CE2 4.04Å
54	Q	80.4	Confident	78.3	Confident	131 Å²	131	74.4 Å²	74.4	61%	0.612	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-74.4	-25.1	-177.3	-65.8	158.3	-4.6	0	0	113.7	K52	K52-Q54 PolarHBondContact O-N 3.31Å; K52-Q54 VanDerWaalsContact O-N 3.13Å
55	S	81.3	Confident	76.3	Confident	19 Å²	19	78.1 Å²	78.1	13%	0.133	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-114.7	15.3	-178.7	71.6	0	0	0	0	113.1	K52 E101 V102 F103	K52-S55 PolarHBondContact O-N 2.99Å; K52-S55 VanDerWaalsContact O-N 3.11Å; S55-E101 WeakPolarHBondContact CB-O 3.42Å; S55-E101 PolarHBondContact OG-O 2.91Å; S55-V102 WeakPolarHBondContact O-CA 3.37Å; S55-V102 WeakPolarHBondContact O-CG1 3.27Å; S55-F103 PolarHBondContact O-N 3.4Å; S55-F103 VanDerWaalsContact O-N 3.08Å
56	F	83.9	Confident	74.1	Confident	11 Å²	11	83.6 Å²	83.6	5%	0.048	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.2	175.7	-178	-89.8	0	0	0	110.7	L51 K52 F58 F81 L84 F85 F103 L105 F155	L51-F56 HydrophobicContact CD2-CD2 4.26Å; K52-F56 PolarHBondContact O-N 3.07Å; K52-F56 VanDerWaalsContact O-N 3.17Å; F56-F58 HydrophobicContact CD1-CE2 4.45Å; F56-F58 HydrophobicContact CE1-CD1 4.18Å; F56-F58 HydrophobicContact CE1-CD2 4.02Å; F56-F58 AromaticContact CE1-CE1 3.77Å; F56-F58 HydrophobicContact CE1-CE1 3.77Å; F56-F58 AromaticContact CE1-CE2 3.61Å; F56-F58 HydrophobicContact CE1-CE2 3.61Å; F56-F58 HydrophobicContact CE1-CG 4.31Å; F56-F58 AromaticContact CE1-CZ 3.49Å; F56-F58 HydrophobicContact CE1-CZ 3.49Å; F56-F58 VanDerWaalsContact CE1-CZ 3.49Å; F56-F58 HydrophobicContact CZ-CD1 4.36Å; F56-F58 AromaticContact CZ-CE1 3.87Å; F56-F58 HydrophobicContact CZ-CE1 3.87Å; F56-F58 AromaticContact CZ-CZ 3.98Å; F56-F58 HydrophobicContact CZ-CZ 3.98Å; F56-F81 AromaticContact CD1-CD2 4Å; F56-F81 HydrophobicContact CD1-CD2 4Å; F56-F81 HydrophobicContact CD1-CE2 4.05Å; F56-L84 HydrophobicContact CE1-CD1 4.15Å; F56-L84 HydrophobicContact CZ-CD1 4.1Å; F56-F85 HydrophobicContact CB-CE2 3.93Å; F56-F85 HydrophobicContact CB-CZ 4.17Å; F56-F85 AromaticContact CD1-CE2 3.8Å; F56-F85 HydrophobicContact CD1-CE2 3.8Å; F56-F85 HydrophobicContact CD2-CE2 4.5Å; F56-F85 HydrophobicContact CD2-CZ 4.47Å; F56-F85 HydrophobicContact CE1-CE2 4.48Å; F56-F85 AromaticContact CG-CE2 3.81Å; F56-F85 HydrophobicContact CG-CE2 3.81Å; F56-F85 HydrophobicContact CG-CZ 4.14Å; F56-F103 WeakPolarHBondContact CA-O 3.41Å; F56-F103 HydrophobicContact CD2-CB 4.39Å; F56-F103 AromaticContact CD2-CD1 3.84Å; F56-F103 HydrophobicContact CD2-CD1 3.84Å; F56-F103 AromaticContact CE2-CD1 3.74Å; F56-F103 HydrophobicContact CE2-CD1 3.74Å; F56-F103 HydrophobicContact CE2-CE1 4.22Å; F56-L105 HydrophobicContact CZ-CB 4.2Å; F56-F155 AromaticContact CE2-CE1 3.94Å; F56-F155 HydrophobicContact CE2-CE1 3.94Å; F56-F155 AromaticContact CE2-CZ 3.99Å; F56-F155 HydrophobicContact CE2-CZ 3.99Å; F56-F155 AromaticContact CZ-CE1 3.86Å; F56-F155 HydrophobicContact CZ-CE1 3.86Å; F56-F155 HydrophobicContact CZ-CZ 4.33Å
57	S	83.1	Confident	72.2	Confident	43 Å²	43	87 Å²	87	30%	0.301	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.8	177.1	70.2	0	0	0	0	112.9	F103 T104 L105	S57-F103 PolarHBondContact N-O 3.02Å; S57-F103 VanDerWaalsContact N-O 3.12Å; S57-T104 WeakPolarHBondContact O-CA 3.36Å; S57-T104 PolarHBondContact OG-OG1 3.35Å; S57-L105 PolarHBondContact O-N 3.27Å
58	F	82.9	Confident	70.6	Confident	17 Å²	17	91 Å²	91	8%	0.075	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.6	167.2	-64.3	-77	0	0	0	108.7	F56 F77 F81 L84 Y90 L105 L152	F56-F58 HydrophobicContact CD1-CE2 4.45Å; F56-F58 HydrophobicContact CE1-CD1 4.18Å; F56-F58 HydrophobicContact CE1-CD2 4.02Å; F56-F58 AromaticContact CE1-CE1 3.77Å; F56-F58 HydrophobicContact CE1-CE1 3.77Å; F56-F58 AromaticContact CE1-CE2 3.61Å; F56-F58 HydrophobicContact CE1-CE2 3.61Å; F56-F58 HydrophobicContact CE1-CG 4.31Å; F56-F58 AromaticContact CE1-CZ 3.49Å; F56-F58 HydrophobicContact CE1-CZ 3.49Å; F56-F58 VanDerWaalsContact CE1-CZ 3.49Å; F56-F58 HydrophobicContact CZ-CD1 4.36Å; F56-F58 AromaticContact CZ-CE1 3.87Å; F56-F58 HydrophobicContact CZ-CE1 3.87Å; F56-F58 AromaticContact CZ-CZ 3.98Å; F56-F58 HydrophobicContact CZ-CZ 3.98Å; F58-F77 HydrophobicContact CB-CB 4.09Å; F58-F77 HydrophobicContact CB-CD1 3.62Å; F58-F77 HydrophobicContact CB-CD2 3.88Å; F58-F77 HydrophobicContact CB-CE1 3.91Å; F58-F77 HydrophobicContact CB-CE2 4.16Å; F58-F77 HydrophobicContact CB-CG 3.61Å; F58-F77 HydrophobicContact CB-CZ 4.18Å; F58-F77 AromaticContact CD1-CD1 3.61Å; F58-F77 HydrophobicContact CD1-CD1 3.61Å; F58-F77 AromaticContact CD1-CE1 3.94Å; F58-F77 HydrophobicContact CD1-CE1 3.94Å; F58-F77 HydrophobicContact CD1-CG 4.34Å; F58-F77 HydrophobicContact CD2-CB 3.69Å; F58-F77 HydrophobicContact CD2-CD1 4.08Å; F58-F77 HydrophobicContact CD2-CG 4.06Å; F58-F77 HydrophobicContact CE1-CD1 4.24Å; F58-F77 HydrophobicContact CE2-CB 4.26Å; F58-F77 VanDerWaalsContact CE2-O 3.27Å; F58-F77 WeakPolarHBondContact CE2-O 3.26Å; F58-F77 HydrophobicContact CG-CB 3.95Å; F58-F77 AromaticContact CG-CD1 3.51Å; F58-F77 HydrophobicContact CG-CD1 3.51Å; F58-F77 HydrophobicContact CG-CE1 4.08Å; F58-F77 AromaticContact CG-CG 3.77Å; F58-F77 HydrophobicContact CG-CG 3.77Å; F58-F81 HydrophobicContact CE2-CB 3.99Å; F58-F81 HydrophobicContact CE2-CD2 4.27Å; F58-L84 HydrophobicContact CZ-CD1 4.2Å; F58-Y90 HydrophobicContact CD2-CE2 4.16Å; F58-L105 HydrophobicContact CD1-CB 4.03Å; F58-L105 HydrophobicContact CD1-CD2 3.77Å; F58-L105 HydrophobicContact CD1-CG 4.32Å; F58-L105 HydrophobicContact CE1-CB 4.39Å; F58-L105 HydrophobicContact CE1-CD2 3.58Å; F58-L152 HydrophobicContact CD1-CD2 4.42Å; F58-L152 HydrophobicContact CE1-CD1 4.47Å; F58-L152 HydrophobicContact CE1-CD2 3.92Å
59	G	75.6	Confident	69.4	Low	17 Å²	17	88 Å²	88	18%	0.175	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.3	-178.5	0	0	0	0	0	112.9	L105 T106 I107	G59-L105 PolarHBondContact N-O 3.14Å; G59-T106 CarbonylContact O-C 3.59Å; G59-T106 VanDerWaalsContact O-CA 3.29Å; G59-T106 WeakPolarHBondContact O-CA 3.5Å; G59-I107 PolarHBondContact O-N 3.14Å
60	Y	75.4	Confident	68.8	Low	74 Å²	74	86.9 Å²	86.9	29%	0.29	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137	166.7	-67.9	-76.4	0	0	0	109	R62 L64 L73 D74 F77	Y60-R62 PolarHBondContact O-N 3.2Å; Y60-L64 HydrophobicContact CD1-CD1 4.11Å; Y60-L64 HydrophobicContact CD1-CD2 3.81Å; Y60-L64 HydrophobicContact CE1-CD2 4.33Å; Y60-L64 HydrophobicContact CG-CD2 4.46Å; Y60-L73 HydrophobicContact CE1-CB 4.35Å; Y60-L73 HydrophobicContact CE1-CD1 3.9Å; Y60-L73 WeakPolarHBondContact OH-CB 3.31Å; Y60-D74 PolarHBondContact OH-OD1 2.95Å; Y60-F77 HydrophobicContact CE1-CE2 4.12Å; Y60-F77 HydrophobicContact CE1-CZ 4.34Å; Y60-F77 AromaticContact CE2-CE2 3.86Å; Y60-F77 HydrophobicContact CE2-CE2 3.86Å; Y60-F77 AromaticContact CZ-CE2 3.6Å
61	R	68.8	Low	68.4	Low	148 Å²	148	84.8 Å²	84.8	56%	0.558	42%	0.422	S	S	*	.			trans	-67.8	135	173.8	-163.4	172.1	-176.7	171	0.6	109.2	N63 L64 I107	R61-N63 PolarHBondContact O-N 3.34Å; R61-L64 PolarHBondContact O-N 3.28Å; R61-I107 PolarHBondContact N-O 2.54Å; R61-I107 VanDerWaalsContact N-O 3.07Å
62	R	54.3	Low	68.2	Low	249 Å²	249	84.6 Å²	84.6	94%	0.94	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-4	-170.1	-73.7	-176.3	-169.8	163.8	3.3	118.1	Y60	Y60-R62 PolarHBondContact O-N 3.2Å
63	N	49.4	Very low	68	Low	153 Å²	153	80.8 Å²	80.8	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	0.7	172.4	-79.3	6.3	0	0	0	113.7	R61 D65	R61-N63 PolarHBondContact O-N 3.34Å; N63-D65 PolarHBondContact O-N 3.13Å
64	L	50.7	Low	68	Low	32 Å²	32	82.5 Å²	82.5	17%	0.168	41%	0.412	C	S	.	.	S	Bend	trans	-73.5	104.4	160.8	-85.5	101.5	0	0	0	107.8	Y60 R61 T66	Y60-L64 HydrophobicContact CD1-CD1 4.11Å; Y60-L64 HydrophobicContact CD1-CD2 3.81Å; Y60-L64 HydrophobicContact CE1-CD2 4.33Å; Y60-L64 HydrophobicContact CG-CD2 4.46Å; R61-L64 PolarHBondContact O-N 3.28Å; L64-T66 PolarHBondContact O-N 3.17Å
65	D	43	Very low	68.2	Low	145 Å²	145	77.9 Å²	77.9	78%	0.775	40%	0.396	S	S	*	.			trans	-44.1	118.9	163.3	-84	-37.4	0	0	0	108.5	N63 K67	N63-D65 PolarHBondContact O-N 3.13Å; D65-K67 PolarHBondContact O-N 2.96Å
66	T	41.3	Very low	68.3	Low	149 Å²	149	77 Å²	77	91%	0.914	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	24.5	-173.1	42.8	0	0	0	0	114.2	L64	L64-T66 PolarHBondContact O-N 3.17Å
67	K	44.9	Very low	68.4	Low	180 Å²	180	76.6 Å²	76.6	78%	0.783	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-12	-176.4	-95.6	-177.2	175.3	177.7	0	115.9	D65	D65-K67 PolarHBondContact O-N 2.96Å
68	H	52.5	Low	68.5	Low	165 Å²	165	80.5 Å²	80.5	76%	0.764	40%	0.4	S	S	*	.			trans	-132	92	-179.6	-63.1	-56.6	0	0	0	112.3	C70	H68-C70 PolarHBondContact O-N 3.02Å
69	S	62.1	Low	68.8	Low	95 Å²	95	81.6 Å²	81.6	66%	0.664	40%	0.404	S	S	*	.			trans	-57.7	120.3	167.1	55.9	0	0	0	0	110	S71	S69-S71 PolarHBondContact O-N 2.99Å
70	C	74.4	Confident	69.3	Low	3 Å²	3	80.8 Å²	80.8	2%	0.02	40%	0.395	C	S	.	.			trans	-85.1	97.2	178.5	-172.5	0	0	0	0	109.5	H68 V72 L73 D74 C114	H68-C70 PolarHBondContact O-N 3.02Å; C70-V72 PolarHBondContact O-N 2.83Å; C70-L73 HydrophobicContact CB-CB 4.03Å; C70-L73 HydrophobicContact CB-CD1 3.97Å; C70-L73 HydrophobicContact CB-CG 4.22Å; C70-L73 PolarHBondContact O-N 2.84Å; C70-D74 PolarHBondContact O-N 3.38Å; C70-C114 HydrophobicContact CB-CB 3.89Å; C70-C114 WeakPolarHBondContact CB-SG 3.35Å; C70-C114 WeakPolarHBondContact SG-CB 3.36Å; C70-C114 CovalentContact SG-SG 2.04Å; C70-C114 PolarHBondContact SG-SG 3.4Å
71	S	80.2	Confident	69.9	Low	47 Å²	47	77.9 Å²	77.9	33%	0.329	38%	0.384	S	S	.	.	H	α-helix	trans	-51.8	-33.1	-175.9	65.9	0	0	0	0	113.2	S69 A75	S69-S71 PolarHBondContact O-N 2.99Å; S71-A75 WeakPolarHBondContact O-CB 2.98Å; S71-A75 PolarHBondContact O-N 3.12Å
72	V	81.3	Confident	70.7	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-76.3	-39.8	-176.8	-158.5	0	0	0	0	112.2	C70 A76 L146 M261	C70-V72 PolarHBondContact O-N 2.83Å; V72-A76 WeakPolarHBondContact O-CB 3.38Å; V72-A76 PolarHBondContact O-N 2.99Å; V72-L146 HydrophobicContact CB-CD1 3.51Å; V72-L146 HydrophobicContact CB-CD2 3.55Å; V72-L146 HydrophobicContact CB-CG 4.11Å; V72-L146 HydrophobicContact CG1-CD1 3.36Å; V72-L146 HydrophobicContact CG1-CD2 3.3Å; V72-L146 HydrophobicContact CG1-CG 3.92Å; V72-L146 HydrophobicContact CG2-CD1 4.02Å; V72-M261 HydrophobicContact CB-CE 4.41Å; V72-M261 HydrophobicContact CB-SD 4.18Å; V72-M261 HydrophobicContact CG1-CB 4.29Å; V72-M261 HydrophobicContact CG1-CE 4.13Å; V72-M261 HydrophobicContact CG1-SD 3.8Å; V72-M261 HydrophobicContact CG2-SD 3.88Å
73	L	80.3	Confident	72.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.8	-41.8	175.8	-72.5	172.3	0	0	0	111.3	Y60 C70 A75 A76 F77 I107 L109 S145 L146 A148	Y60-L73 HydrophobicContact CE1-CB 4.35Å; Y60-L73 HydrophobicContact CE1-CD1 3.9Å; Y60-L73 WeakPolarHBondContact OH-CB 3.31Å; C70-L73 HydrophobicContact CB-CB 4.03Å; C70-L73 HydrophobicContact CB-CD1 3.97Å; C70-L73 HydrophobicContact CB-CG 4.22Å; C70-L73 PolarHBondContact O-N 2.84Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 3.33Å; L73-A76 CarbonylContact O-C 3.55Å; L73-A76 WeakPolarHBondContact O-CA 3.42Å; L73-A76 WeakPolarHBondContact O-CB 3.5Å; L73-A76 PolarHBondContact O-N 3.37Å; L73-F77 HydrophobicContact CB-CE2 4.43Å; L73-F77 HydrophobicContact CB-CZ 4.43Å; L73-F77 WeakPolarHBondContact O-CD2 3.4Å; L73-F77 VanDerWaalsContact O-CG 3.31Å; L73-F77 WeakPolarHBondContact O-CG 2.86Å; L73-F77 PolarHBondContact O-N 2.04Å; L73-I107 HydrophobicContact CD2-CD1 4.32Å; L73-L109 HydrophobicContact CD1-CD1 3.93Å; L73-S145 VanDerWaalsContact CD2-O 3.27Å; L73-S145 WeakPolarHBondContact CD2-O 3.44Å; L73-L146 HydrophobicContact CD2-CD2 3.69Å; L73-L146 HydrophobicContact CD2-CG 4.34Å; L73-L146 HydrophobicContact CG-CD2 3.93Å; L73-A148 HydrophobicContact CD2-CB 3.62Å
74	D	82.2	Confident	74	Confident	54 Å²	54	56.4 Å²	56.4	29%	0.289	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-41	178	-63.3	-25.5	0	0	0	111.6	Y60 C70 K78	Y60-D74 PolarHBondContact OH-OD1 2.95Å; C70-D74 PolarHBondContact O-N 3.38Å; D74-K78 WeakPolarHBondContact O-CG 3.39Å; D74-K78 PolarHBondContact O-N 3.49Å
75	A	84.6	Confident	75.6	Confident	34 Å²	34	54.9 Å²	54.9	28%	0.281	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-32.9	173.5	0	0	0	0	0	112.6	S71 L73 R79 M261	S71-A75 WeakPolarHBondContact O-CB 2.98Å; S71-A75 PolarHBondContact O-N 3.12Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 3.33Å; A75-R79 WeakPolarHBondContact O-CB 3.01Å; A75-R79 PolarHBondContact O-N 2.86Å; A75-R79 VanDerWaalsContact O-N 3.15Å; A75-M261 HydrophobicContact CB-CE 3.26Å
76	A	84.5	Confident	77.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.6	-42.6	174.9	0	0	0	0	0	111.8	V72 L73 K78 R79 Y80 A148 L152	V72-A76 WeakPolarHBondContact O-CB 3.38Å; V72-A76 PolarHBondContact O-N 2.99Å; L73-A76 CarbonylContact O-C 3.55Å; L73-A76 WeakPolarHBondContact O-CA 3.42Å; L73-A76 WeakPolarHBondContact O-CB 3.5Å; L73-A76 PolarHBondContact O-N 3.37Å; A76-K78 PolarHBondContact O-N 2.81Å; A76-R79 PolarHBondContact O-N 3.27Å; A76-Y80 WeakPolarHBondContact O-CB 3.27Å; A76-Y80 WeakPolarHBondContact O-CD2 3.36Å; A76-Y80 PolarHBondContact O-N 2.91Å; A76-A148 HydrophobicContact CB-CB 3.73Å; A76-L152 HydrophobicContact CB-CD1 4.33Å
77	F	85.2	Confident	78.4	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-48.6	175.8	-65	-28.1	0	0	0	112.3	F58 Y60 L73 R79 Y80 F81 I107 L152	F58-F77 HydrophobicContact CB-CB 4.09Å; F58-F77 HydrophobicContact CB-CD1 3.62Å; F58-F77 HydrophobicContact CB-CD2 3.88Å; F58-F77 HydrophobicContact CB-CE1 3.91Å; F58-F77 HydrophobicContact CB-CE2 4.16Å; F58-F77 HydrophobicContact CB-CG 3.61Å; F58-F77 HydrophobicContact CB-CZ 4.18Å; F58-F77 AromaticContact CD1-CD1 3.61Å; F58-F77 HydrophobicContact CD1-CD1 3.61Å; F58-F77 AromaticContact CD1-CE1 3.94Å; F58-F77 HydrophobicContact CD1-CE1 3.94Å; F58-F77 HydrophobicContact CD1-CG 4.34Å; F58-F77 HydrophobicContact CD2-CB 3.69Å; F58-F77 HydrophobicContact CD2-CD1 4.08Å; F58-F77 HydrophobicContact CD2-CG 4.06Å; F58-F77 HydrophobicContact CE1-CD1 4.24Å; F58-F77 HydrophobicContact CE2-CB 4.26Å; F58-F77 VanDerWaalsContact CE2-O 3.27Å; F58-F77 WeakPolarHBondContact CE2-O 3.26Å; F58-F77 HydrophobicContact CG-CB 3.95Å; F58-F77 AromaticContact CG-CD1 3.51Å; F58-F77 HydrophobicContact CG-CD1 3.51Å; F58-F77 HydrophobicContact CG-CE1 4.08Å; F58-F77 AromaticContact CG-CG 3.77Å; F58-F77 HydrophobicContact CG-CG 3.77Å; Y60-F77 HydrophobicContact CE1-CE2 4.12Å; Y60-F77 HydrophobicContact CE1-CZ 4.34Å; Y60-F77 AromaticContact CE2-CE2 3.86Å; Y60-F77 HydrophobicContact CE2-CE2 3.86Å; Y60-F77 AromaticContact CZ-CE2 3.6Å; L73-F77 HydrophobicContact CB-CE2 4.43Å; L73-F77 HydrophobicContact CB-CZ 4.43Å; L73-F77 WeakPolarHBondContact O-CD2 3.4Å; L73-F77 VanDerWaalsContact O-CG 3.31Å; L73-F77 WeakPolarHBondContact O-CG 2.86Å; L73-F77 PolarHBondContact O-N 2.04Å; F77-R79 VanDerWaalsContact C-N 3.33Å; F77-R79 PolarHBondContact O-N 3.4Å; F77-Y80 PolarHBondContact O-N 2.86Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 PolarHBondContact O-N 3.06Å; F77-I107 HydrophobicContact CE1-CD1 3.39Å; F77-I107 HydrophobicContact CE1-CG1 4.08Å; F77-I107 HydrophobicContact CZ-CD1 3.69Å; F77-I107 HydrophobicContact CZ-CG1 4.1Å; F77-L152 HydrophobicContact CD1-CD1 3.97Å; F77-L152 HydrophobicContact CE1-CD1 4.21Å
78	K	85.9	Confident	79.2	Confident	125 Å²	125	43.6 Å²	43.6	54%	0.543	26%	0.255	S	S	.	.	H	α-helix	trans	-57.6	-46.7	176.1	-70.6	177.6	-179.3	-178.2	0	111.7	D74 A76 S82 Y90	D74-K78 WeakPolarHBondContact O-CG 3.39Å; D74-K78 PolarHBondContact O-N 3.49Å; A76-K78 PolarHBondContact O-N 2.81Å; K78-S82 PolarHBondContact O-N 3.46Å; K78-S82 PolarHBondContact O-OG 2.67Å; K78-Y90 HydrophobicContact CG-CD1 3.65Å; K78-Y90 HydrophobicContact CG-CE1 3.96Å; K78-Y90 HydrophobicContact CG-CG 4.29Å
79	R	88.1	Confident	79.5	Confident	39 Å²	39	40.4 Å²	40.4	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-49.8	179.9	-179.5	178.7	63.4	-105.4	5.2	112	A75 A76 F77 F81 S82 I83	A75-R79 WeakPolarHBondContact O-CB 3.01Å; A75-R79 PolarHBondContact O-N 2.86Å; A75-R79 VanDerWaalsContact O-N 3.15Å; A76-R79 PolarHBondContact O-N 3.27Å; F77-R79 VanDerWaalsContact C-N 3.33Å; F77-R79 PolarHBondContact O-N 3.4Å; R79-F81 VanDerWaalsContact C-N 3.32Å; R79-F81 PolarHBondContact O-N 2.66Å; R79-S82 PolarHBondContact O-N 3.37Å; R79-I83 HydrophobicContact CG-CD1 3.94Å; R79-I83 WeakPolarHBondContact O-CG1 3.4Å; R79-I83 PolarHBondContact O-N 3.36Å
80	Y	87.2	Confident	78.9	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-70.4	-29.3	-177.2	-86.7	-78.6	0	0	0	112.8	A76 F77 I83 L84 A148 S149 L152 E153	A76-Y80 WeakPolarHBondContact O-CB 3.27Å; A76-Y80 WeakPolarHBondContact O-CD2 3.36Å; A76-Y80 PolarHBondContact O-N 2.91Å; F77-Y80 PolarHBondContact O-N 2.86Å; Y80-I83 HydrophobicContact CD1-CD1 4.15Å; Y80-I83 HydrophobicContact CE1-CD1 4.12Å; Y80-I83 PolarHBondContact O-N 3.1Å; Y80-L84 WeakPolarHBondContact O-CB 3.47Å; Y80-L84 VanDerWaalsContact O-CG 3.24Å; Y80-L84 WeakPolarHBondContact O-CG 3.46Å; Y80-L84 PolarHBondContact O-N 3.23Å; Y80-A148 WeakPolarHBondContact CD2-O 3.45Å; Y80-A148 WeakPolarHBondContact CE2-O 3.46Å; Y80-S149 WeakPolarHBondContact OH-CA 3.43Å; Y80-L152 HydrophobicContact CD1-CB 4Å; Y80-L152 HydrophobicContact CD2-CB 3.85Å; Y80-L152 HydrophobicContact CD2-CD1 3.8Å; Y80-L152 HydrophobicContact CD2-CG 4.45Å; Y80-L152 HydrophobicContact CE1-CB 4.24Å; Y80-L152 HydrophobicContact CE2-CB 4.11Å; Y80-L152 HydrophobicContact CG-CB 3.8Å; Y80-L152 HydrophobicContact CG-CD1 4.08Å; Y80-E153 HydrophobicContact CE1-CB 4.18Å; Y80-E153 WeakPolarHBondContact CE1-OE2 3.38Å; Y80-E153 WeakPolarHBondContact OH-CB 3.33Å; Y80-E153 PolarHBondContact OH-OE2 2.85Å
81	F	86.9	Confident	78	Confident	12 Å²	12	43.7 Å²	43.7	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-49.3	168.6	-166.9	-94.8	0	0	0	111.4	F56 F58 F77 R79 I83 L84 F85 Y90	F56-F81 AromaticContact CD1-CD2 4Å; F56-F81 HydrophobicContact CD1-CD2 4Å; F56-F81 HydrophobicContact CD1-CE2 4.05Å; F58-F81 HydrophobicContact CE2-CB 3.99Å; F58-F81 HydrophobicContact CE2-CD2 4.27Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 PolarHBondContact O-N 3.06Å; R79-F81 VanDerWaalsContact C-N 3.32Å; R79-F81 PolarHBondContact O-N 2.66Å; F81-I83 VanDerWaalsContact C-N 3.3Å; F81-I83 PolarHBondContact O-N 2.85Å; F81-L84 PolarHBondContact O-N 2.89Å; F81-F85 HydrophobicContact CD2-CD2 4.03Å; F81-F85 HydrophobicContact CD2-CE2 4.33Å; F81-F85 HydrophobicContact CE1-CD2 4.38Å; F81-F85 AromaticContact CE2-CD2 3.82Å; F81-F85 HydrophobicContact CE2-CD2 3.82Å; F81-F85 HydrophobicContact CE2-CE2 4.09Å; F81-F85 HydrophobicContact CG-CD2 4.41Å; F81-F85 HydrophobicContact CZ-CD2 4.01Å; F81-F85 PolarHBondContact O-N 3.15Å; F81-Y90 HydrophobicContact CB-CD2 3.8Å; F81-Y90 HydrophobicContact CB-CG 4.4Å; F81-Y90 HydrophobicContact CD1-CD2 4.11Å; F81-Y90 HydrophobicContact CD1-CG 4.48Å; F81-Y90 AromaticContact CD2-CD2 3.74Å; F81-Y90 HydrophobicContact CD2-CD2 3.74Å; F81-Y90 HydrophobicContact CD2-CE2 4.37Å; F81-Y90 HydrophobicContact CE2-CD2 4.32Å; F81-Y90 AromaticContact CG-CD2 3.61Å; F81-Y90 HydrophobicContact CG-CD2 3.61Å; F81-Y90 HydrophobicContact CG-CG 4.33Å
82	S	86.8	Confident	76	Confident	64 Å²	64	47.6 Å²	47.6	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-30	178.5	-59.6	0	0	0	0	113.4	K78 R79	K78-S82 PolarHBondContact O-N 3.46Å; K78-S82 PolarHBondContact O-OG 2.67Å; R79-S82 PolarHBondContact O-N 3.37Å
83	I	86.3	Confident	74	Confident	29 Å²	29	52.5 Å²	52.5	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-71.5	-42.5	174.3	-68.6	168.6	0	0	0	111.1	R79 Y80 F81 Y208 R521	R79-I83 HydrophobicContact CG-CD1 3.94Å; R79-I83 WeakPolarHBondContact O-CG1 3.4Å; R79-I83 PolarHBondContact O-N 3.36Å; Y80-I83 HydrophobicContact CD1-CD1 4.15Å; Y80-I83 HydrophobicContact CE1-CD1 4.12Å; Y80-I83 PolarHBondContact O-N 3.1Å; F81-I83 VanDerWaalsContact C-N 3.3Å; F81-I83 PolarHBondContact O-N 2.85Å; I83-Y208 HydrophobicContact CD1-CE1 3.78Å; I83-R521 HydrophobicContact CG2-CG 4.36Å
84	L	85.6	Confident	71.9	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-45	179.3	-75.8	171.1	0	0	0	111.8	F56 F58 Y80 F81 P86 F155 V159 Y167	F56-L84 HydrophobicContact CE1-CD1 4.15Å; F56-L84 HydrophobicContact CZ-CD1 4.1Å; F58-L84 HydrophobicContact CZ-CD1 4.2Å; Y80-L84 WeakPolarHBondContact O-CB 3.47Å; Y80-L84 VanDerWaalsContact O-CG 3.24Å; Y80-L84 WeakPolarHBondContact O-CG 3.46Å; Y80-L84 PolarHBondContact O-N 3.23Å; F81-L84 PolarHBondContact O-N 2.89Å; L84-P86 WeakPolarHBondContact O-CD 3.23Å; L84-F155 HydrophobicContact CD1-CD1 4.3Å; L84-F155 HydrophobicContact CD1-CE1 4.05Å; L84-V159 HydrophobicContact CD2-CB 3.72Å; L84-V159 HydrophobicContact CD2-CG1 4.09Å; L84-V159 HydrophobicContact CD2-CG2 3.6Å; L84-Y167 WeakPolarHBondContact O-CE1 3.02Å
85	F	85.1	Confident	69.7	Low	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.369	C	S	.	.	S	Bend	trans	-123.5	74.6	-173.4	-51.3	-63.6	0	0	0	111.5	L51 P53 F56 F81 G87 Y88 Y167	L51-F85 HydrophobicContact CB-CZ 4.38Å; P53-F85 HydrophobicContact CB-CB 4.28Å; P53-F85 HydrophobicContact CB-CD1 3.93Å; P53-F85 HydrophobicContact CB-CD2 4.3Å; P53-F85 HydrophobicContact CB-CE1 4.32Å; P53-F85 HydrophobicContact CB-CG 3.91Å; P53-F85 HydrophobicContact CG-CD1 3.62Å; P53-F85 HydrophobicContact CG-CE1 3.95Å; P53-F85 HydrophobicContact CG-CG 4.1Å; F56-F85 HydrophobicContact CB-CE2 3.93Å; F56-F85 HydrophobicContact CB-CZ 4.17Å; F56-F85 AromaticContact CD1-CE2 3.8Å; F56-F85 HydrophobicContact CD1-CE2 3.8Å; F56-F85 HydrophobicContact CD2-CE2 4.5Å; F56-F85 HydrophobicContact CD2-CZ 4.47Å; F56-F85 HydrophobicContact CE1-CE2 4.48Å; F56-F85 AromaticContact CG-CE2 3.81Å; F56-F85 HydrophobicContact CG-CE2 3.81Å; F56-F85 HydrophobicContact CG-CZ 4.14Å; F81-F85 HydrophobicContact CD2-CD2 4.03Å; F81-F85 HydrophobicContact CD2-CE2 4.33Å; F81-F85 HydrophobicContact CE1-CD2 4.38Å; F81-F85 AromaticContact CE2-CD2 3.82Å; F81-F85 HydrophobicContact CE2-CD2 3.82Å; F81-F85 HydrophobicContact CE2-CE2 4.09Å; F81-F85 HydrophobicContact CG-CD2 4.41Å; F81-F85 HydrophobicContact CZ-CD2 4.01Å; F81-F85 PolarHBondContact O-N 3.15Å; F85-G87 PolarHBondContact O-N 3.22Å; F85-Y88 HydrophobicContact CB-CD2 3.97Å; F85-Y88 HydrophobicContact CB-CG 4.36Å; F85-Y88 PolarHBondContact O-N 3.4Å; F85-Y88 VanDerWaalsContact O-N 3.1Å; F85-Y167 HydrophobicContact CD1-CD1 4.06Å; F85-Y167 AromaticContact CD1-CD2 3.92Å; F85-Y167 HydrophobicContact CD1-CD2 3.92Å; F85-Y167 AromaticContact CD1-CE1 3.82Å; F85-Y167 HydrophobicContact CD1-CE1 3.82Å; F85-Y167 AromaticContact CD1-CE2 3.72Å; F85-Y167 HydrophobicContact CD1-CE2 3.72Å; F85-Y167 HydrophobicContact CD1-CG 4.08Å; F85-Y167 AromaticContact CD1-CZ 3.63Å; F85-Y167 AromaticContact CE1-CD1 3.99Å; F85-Y167 HydrophobicContact CE1-CD1 3.99Å; F85-Y167 AromaticContact CE1-CD2 3.89Å; F85-Y167 HydrophobicContact CE1-CD2 3.89Å; F85-Y167 HydrophobicContact CE1-CE1 4.23Å; F85-Y167 HydrophobicContact CE1-CE2 4.18Å; F85-Y167 AromaticContact CE1-CG 3.78Å; F85-Y167 HydrophobicContact CE1-CG 3.78Å
86	P	75.8	Confident	67.3	Low	58 Å²	58	70.2 Å²	70.2	38%	0.377	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	125.7	175.3	-23.6	35	0	0	0	110.6	L84	L84-P86 WeakPolarHBondContact O-CD 3.23Å
87	G	65.8	Low	65.1	Low	83 Å²	83	76 Å²	76	86%	0.856	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	-9.5	-176.9	0	0	0	0	0	115.3	F85	F85-G87 PolarHBondContact O-N 3.22Å
88	Y	62.7	Low	62.7	Low	96 Å²	96	80.1 Å²	80.1	38%	0.376	46%	0.459	S	S	.	.			trans	-105.7	139.6	173.4	-66.5	-92.8	0	0	0	110.8	P53 F85	P53-Y88 HydrophobicContact CB-CD1 3.95Å; P53-Y88 HydrophobicContact CB-CD2 4.02Å; P53-Y88 HydrophobicContact CB-CE1 4.1Å; P53-Y88 HydrophobicContact CB-CE2 4.17Å; P53-Y88 HydrophobicContact CB-CG 3.91Å; P53-Y88 HydrophobicContact CG-CD2 4.19Å; P53-Y88 HydrophobicContact CG-CE1 4.45Å; P53-Y88 HydrophobicContact CG-CE2 3.95Å; F85-Y88 HydrophobicContact CB-CD2 3.97Å; F85-Y88 HydrophobicContact CB-CG 4.36Å; F85-Y88 PolarHBondContact O-N 3.4Å; F85-Y88 VanDerWaalsContact O-N 3.1Å
89	T	57.6	Low	60.8	Low	97 Å²	97	83 Å²	83	60%	0.595	47%	0.474	S	S	*	.			trans	-101.1	133.3	178	54.1	0	0	0	0	110.8	G91 N92	T89-G91 PolarHBondContact O-N 3.47Å; T89-G91 VanDerWaalsContact O-N 3.14Å; T89-N92 WeakPolarHBondContact OG1-CB 3.35Å
90	Y	51.3	Low	58.8	Low	97 Å²	97	88.4 Å²	88.4	38%	0.38	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	112.3	178.8	-176.2	-99.2	0	0	0	110	F58 K78 F81	F58-Y90 HydrophobicContact CD2-CE2 4.16Å; K78-Y90 HydrophobicContact CG-CD1 3.65Å; K78-Y90 HydrophobicContact CG-CE1 3.96Å; K78-Y90 HydrophobicContact CG-CG 4.29Å; F81-Y90 HydrophobicContact CB-CD2 3.8Å; F81-Y90 HydrophobicContact CB-CG 4.4Å; F81-Y90 HydrophobicContact CD1-CD2 4.11Å; F81-Y90 HydrophobicContact CD1-CG 4.48Å; F81-Y90 AromaticContact CD2-CD2 3.74Å; F81-Y90 HydrophobicContact CD2-CD2 3.74Å; F81-Y90 HydrophobicContact CD2-CE2 4.37Å; F81-Y90 HydrophobicContact CE2-CD2 4.32Å; F81-Y90 AromaticContact CG-CD2 3.61Å; F81-Y90 HydrophobicContact CG-CD2 3.61Å; F81-Y90 HydrophobicContact CG-CG 4.33Å
91	G	53.8	Low	57.3	Low	71 Å²	71	94.1 Å²	94.1	73%	0.732	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	13.3	171.9	0	0	0	0	0	117.1	T89	T89-G91 PolarHBondContact O-N 3.47Å; T89-G91 VanDerWaalsContact O-N 3.14Å
92	N	39.5	Very low	56.3	Low	129 Å²	129	96 Å²	96	69%	0.69	55%	0.545	S	S	*	.			trans	-112.5	9.5	-177.9	-119.3	22.7	0	0	0	116.9	T89	T89-N92 WeakPolarHBondContact OG1-CB 3.35Å
93	D	38.1	Very low	55.9	Low	102 Å²	102	93.3 Å²	93.3	55%	0.545	53%	0.525	S	S	.	.			trans	-116.5	92.3	164.4	-80.2	-33.3	0	0	0	109.4	L95	D93-L95 HydrophobicContact CB-CB 4.35Å; D93-L95 HydrophobicContact CB-CD1 4.11Å; D93-L95 HydrophobicContact CB-CG 4.32Å; D93-L95 PolarHBondContact O-N 3.33Å
94	T	36.3	Very low	55.7	Low	151 Å²	151	93.5 Å²	93.5	93%	0.926	53%	0.528	S	S	*	.			trans	-66.7	70.4	147.7	42.3	0	0	0	0	108
95	L	35.9	Very low	55.7	Low	112 Å²	112	93.2 Å²	93.2	59%	0.586	53%	0.526	S	S	*	.			trans	-107.2	126	164.2	-80.3	165.3	0	0	0	106.5	D93 L97	D93-L95 HydrophobicContact CB-CB 4.35Å; D93-L95 HydrophobicContact CB-CD1 4.11Å; D93-L95 HydrophobicContact CB-CG 4.32Å; D93-L95 PolarHBondContact O-N 3.33Å; L95-L97 PolarHBondContact O-N 3.22Å
96	Q	35	Very low	55.6	Low	197 Å²	197	94 Å²	94	92%	0.921	53%	0.531	S	S	*	.			trans	-36.5	109.4	-171.6	-65.3	-174.2	-14.9	0	0	112.1	S98	Q96-S98 PolarHBondContact O-N 3.47Å
97	L	37.7	Very low	55.9	Low	123 Å²	123	91.2 Å²	91.2	64%	0.644	51%	0.513	S	S	*	.			trans	-59.2	104.3	168.6	-81.1	152.7	0	0	0	107.3	L95 E99 V102	L95-L97 PolarHBondContact O-N 3.22Å; L97-E99 PolarHBondContact O-N 2.92Å; L97-V102 HydrophobicContact CD2-CG2 4.06Å
98	S	36.2	Very low	56.5	Low	89 Å²	89	88 Å²	88	62%	0.622	48%	0.477	S	S	*	.			trans	-67.2	119.2	159	58.4	0	0	0	0	106.7	Q96 N100	Q96-S98 PolarHBondContact O-N 3.47Å; S98-N100 PolarHBondContact O-N 3.42Å
99	E	45.3	Very low	57.1	Low	185 Å²	185	84.1 Å²	84.1	86%	0.864	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-3.7	-174.2	-72.5	-179.1	145	0	0	114.5	L97	L97-E99 PolarHBondContact O-N 2.92Å
100	N	46	Very low	57.6	Low	153 Å²	153	83.9 Å²	83.9	82%	0.818	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-8.9	-164.4	-81.5	-8.3	0	0	0	117	S98	S98-N100 PolarHBondContact O-N 3.42Å
101	E	55.7	Low	58.3	Low	122 Å²	122	84.5 Å²	84.5	57%	0.57	46%	0.464	S	S	*	.			trans	-151.5	54.5	178	-66	-173.9	164.5	0	0	113.8	K52 S55 F103	K52-E101 IonicContact NZ-OE2 2.78Å; K52-E101 PolarHBondContact NZ-OE2 3.29Å; S55-E101 WeakPolarHBondContact CB-O 3.42Å; S55-E101 PolarHBondContact OG-O 2.91Å; E101-F103 PolarHBondContact O-N 2.77Å
102	V	66.1	Low	58.8	Low	50 Å²	50	87.2 Å²	87.2	30%	0.303	46%	0.458	S	S	.	.			trans	-81.3	116.2	172.6	-176.9	0	0	0	0	109.5	S55 L97	S55-V102 WeakPolarHBondContact O-CA 3.37Å; S55-V102 WeakPolarHBondContact O-CG1 3.27Å; L97-V102 HydrophobicContact CD2-CG2 4.06Å
103	F	78.6	Confident	60	Low	8 Å²	8	85.5 Å²	85.5	4%	0.035	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.8	170.2	-166.9	-78.7	0	0	0	108.9	L51 S55 F56 S57 E101 V130 G133 A135 F155 V169	L51-F103 HydrophobicContact CD2-CB 3.98Å; L51-F103 HydrophobicContact CD2-CD1 3.5Å; L51-F103 HydrophobicContact CD2-CD2 3.64Å; L51-F103 HydrophobicContact CD2-CE1 3.81Å; L51-F103 HydrophobicContact CD2-CE2 3.94Å; L51-F103 HydrophobicContact CD2-CG 3.4Å; L51-F103 VanDerWaalsContact CD2-CG 3.4Å; L51-F103 HydrophobicContact CD2-CZ 4.02Å; S55-F103 PolarHBondContact O-N 3.4Å; S55-F103 VanDerWaalsContact O-N 3.08Å; F56-F103 WeakPolarHBondContact CA-O 3.41Å; F56-F103 HydrophobicContact CD2-CB 4.39Å; F56-F103 AromaticContact CD2-CD1 3.84Å; F56-F103 HydrophobicContact CD2-CD1 3.84Å; F56-F103 AromaticContact CE2-CD1 3.74Å; F56-F103 HydrophobicContact CE2-CD1 3.74Å; F56-F103 HydrophobicContact CE2-CE1 4.22Å; S57-F103 PolarHBondContact N-O 3.02Å; S57-F103 VanDerWaalsContact N-O 3.12Å; E101-F103 PolarHBondContact O-N 2.77Å; F103-V130 HydrophobicContact CZ-CG1 4.24Å; F103-G133 WeakPolarHBondContact CA-O 3.2Å; F103-A135 HydrophobicContact CE1-CB 3.8Å; F103-A135 HydrophobicContact CZ-CB 3.91Å; F103-F155 HydrophobicContact CE1-CE2 4.3Å; F103-F155 HydrophobicContact CE1-CZ 4Å; F103-V169 HydrophobicContact CE2-CG1 4.33Å; F103-V169 HydrophobicContact CZ-CG1 4.17Å
104	T	82.3	Confident	61.5	Low	34 Å²	34	81.4 Å²	81.4	21%	0.209	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	-178	-51.4	0	0	0	0	111.1	S57 T106 G133 Q134 A135	S57-T104 WeakPolarHBondContact O-CA 3.36Å; S57-T104 PolarHBondContact OG-OG1 3.35Å; T104-T106 HydrophobicContact CG2-CG2 3.84Å; T104-G133 PolarHBondContact N-O 2.83Å; T104-Q134 WeakPolarHBondContact O-CA 3.4Å; T104-Q134 WeakPolarHBondContact O-CG 3.47Å; T104-A135 PolarHBondContact O-N 2.9Å
105	L	84.1	Confident	63.1	Low	1 Å²	1	80.4 Å²	80.4	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	108.3	165.7	-179.3	68.7	0	0	0	109.3	F56 S57 F58 G59 L128 A135 L152 F155	F56-L105 HydrophobicContact CZ-CB 4.2Å; S57-L105 PolarHBondContact O-N 3.27Å; F58-L105 HydrophobicContact CD1-CB 4.03Å; F58-L105 HydrophobicContact CD1-CD2 3.77Å; F58-L105 HydrophobicContact CD1-CG 4.32Å; F58-L105 HydrophobicContact CE1-CB 4.39Å; F58-L105 HydrophobicContact CE1-CD2 3.58Å; G59-L105 PolarHBondContact N-O 3.14Å; L105-L128 HydrophobicContact CD1-CD1 4.26Å; L105-A135 CarbonylContact C-O 3.48Å; L105-A135 WeakPolarHBondContact CA-O 3.24Å; L105-A135 HydrophobicContact CD1-CB 3.29Å; L105-A135 HydrophobicContact CG-CB 4.46Å; L105-L152 HydrophobicContact CD2-CD2 3.17Å; L105-L152 HydrophobicContact CG-CD2 4.43Å; L105-F155 HydrophobicContact CD1-CD2 4.48Å; L105-F155 HydrophobicContact CD2-CD1 4.15Å; L105-F155 HydrophobicContact CD2-CE1 4.41Å; L105-F155 HydrophobicContact CD2-CG 4.35Å
106	T	84.6	Confident	65.1	Low	15 Å²	15	76 Å²	76	9%	0.092	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129	179.3	53.7	0	0	0	0	111.8	G59 T104 Q134 A135 S136 L137	G59-T106 CarbonylContact O-C 3.59Å; G59-T106 VanDerWaalsContact O-CA 3.29Å; G59-T106 WeakPolarHBondContact O-CA 3.5Å; T104-T106 HydrophobicContact CG2-CG2 3.84Å; T106-Q134 VanDerWaalsContact CG2-NE2 3.3Å; T106-Q134 PolarHBondContact OG1-NE2 3.06Å; T106-A135 PolarHBondContact N-O 2.95Å; T106-A135 PolarHBondContact OG1-O 3.44Å; T106-S136 WeakPolarHBondContact O-CA 3.41Å; T106-L137 PolarHBondContact O-N 3.47Å
107	I	80.9	Confident	67.4	Low	0 Å²	0	72 Å²	72	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.2	173.1	-57.7	-163.8	0	0	0	110.5	G59 R61 L73 F77 L109 L137 L152	G59-I107 PolarHBondContact O-N 3.14Å; R61-I107 PolarHBondContact N-O 2.54Å; R61-I107 VanDerWaalsContact N-O 3.07Å; L73-I107 HydrophobicContact CD2-CD1 4.32Å; F77-I107 HydrophobicContact CE1-CD1 3.39Å; F77-I107 HydrophobicContact CE1-CG1 4.08Å; F77-I107 HydrophobicContact CZ-CD1 3.69Å; F77-I107 HydrophobicContact CZ-CG1 4.1Å; I107-L109 HydrophobicContact CG2-CD2 3.89Å; I107-L109 HydrophobicContact CG2-CG 4.45Å; I107-L137 WeakPolarHBondContact CA-O 3.19Å; I107-L137 HydrophobicContact CD1-CD2 4.01Å; I107-L137 HydrophobicContact CG1-CB 4.33Å; I107-L137 HydrophobicContact CG1-CD2 4.32Å; I107-L152 HydrophobicContact CD1-CD2 4.31Å
108	S	78.9	Confident	69.6	Low	15 Å²	15	66.6 Å²	66.6	11%	0.105	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.7	167.8	53.6	0	0	0	0	111.2	L137 N138 A139	S108-L137 PolarHBondContact N-O 3.49Å; S108-N138 PolarHBondContact O-OD1 2.61Å; S108-N138 PolarHBondContact OG-OD1 3.48Å; S108-A139 PolarHBondContact O-N 3.07Å; S108-A139 VanDerWaalsContact O-N 3.12Å
109	L	74.6	Confident	71.9	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.2	-178.1	-52.9	-179.3	0	0	0	109.7	L73 I107 A139 V142 S145	L73-L109 HydrophobicContact CD1-CD1 3.93Å; I107-L109 HydrophobicContact CG2-CD2 3.89Å; I107-L109 HydrophobicContact CG2-CG 4.45Å; L109-A139 WeakPolarHBondContact CA-O 3.36Å; L109-V142 HydrophobicContact CD1-CG2 3.87Å; L109-S145 WeakPolarHBondContact CD2-OG 3.44Å
110	D	68	Low	73.5	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	29%	0.294	S	S	.	.	S	Bend	trans	-81.8	-33	173.8	-56.8	-34.6	0	0	0	111.5	A139	D110-A139 PolarHBondContact N-O 3.02Å
111	H	66.6	Low	75.1	Confident	110 Å²	110	56.9 Å²	56.9	51%	0.509	29%	0.29	S	S	.	.	S	Bend	trans	-122.1	136.5	175.6	-67	-69	0	0	0	113.1	D113 E140	H111-D113 PolarHBondContact O-N 2.93Å; H111-E140 WeakPolarHBondContact CB-O 3.44Å; H111-E140 PolarHBondContact CD2-O 3.06Å; H111-E140 PolarHBondContact N-O 3.09Å
112	H	64.8	Low	76.3	Confident	128 Å²	128	51.9 Å²	51.9	59%	0.593	27%	0.269	S	S	*	.			trans	-99.8	39	-169.9	-58.9	-66.3	0	0	0	115.4	C114	H112-C114 PolarHBondContact O-N 3.16Å
113	D	65.5	Low	77.1	Confident	92 Å²	92	51 Å²	51	49%	0.492	27%	0.265	S	S	.	.			trans	-93.3	85.8	176.5	-173.1	5.3	0	0	0	112.8	H111 Q115 G116 V142	H111-D113 PolarHBondContact O-N 2.93Å; D113-Q115 PolarHBondContact OD1-N 3.5Å; D113-G116 PolarHBondContact OD1-N 2.84Å; D113-V142 VanDerWaalsContact C-CG2 3.48Å; D113-V142 WeakPolarHBondContact O-CB 3.45Å; D113-V142 VanDerWaalsContact O-CG2 3.26Å; D113-V142 WeakPolarHBondContact O-CG2 3.45Å
114	C	69.5	Low	77.5	Confident	17 Å²	17	51.3 Å²	51.3	12%	0.115	27%	0.267	C	S	.	.			trans	-91.6	-8.7	179.1	-80.8	0	0	0	0	115	C70 H112 V142	C70-C114 HydrophobicContact CB-CB 3.89Å; C70-C114 WeakPolarHBondContact CB-SG 3.35Å; C70-C114 WeakPolarHBondContact SG-CB 3.36Å; C70-C114 CovalentContact SG-SG 2.04Å; C70-C114 PolarHBondContact SG-SG 3.4Å; H112-C114 PolarHBondContact O-N 3.16Å; C114-V142 HydrophobicContact CB-CG1 4.41Å; C114-V142 HydrophobicContact CB-CG2 4.37Å; C114-V142 WeakPolarHBondContact SG-CG2 3.31Å
115	Q	69.1	Low	77.7	Confident	130 Å²	130	55.7 Å²	55.7	61%	0.607	28%	0.279	S	S	*	.	S	Bend	trans	-105.9	-16.7	-171	-62.6	-61.4	-21.3	0	0	112.9	D113	D113-Q115 PolarHBondContact OD1-N 3.5Å
116	G	78.1	Confident	77.9	Confident	19 Å²	19	55.9 Å²	55.9	20%	0.196	28%	0.28	C	S	.	.	S	Bend	trans	-66.9	-178.7	176.8	0	0	0	0	0	115.5	D113 W143	D113-G116 PolarHBondContact OD1-N 2.84Å; G116-W143 VanDerWaalsContact O-CH2 3.31Å; G116-W143 WeakPolarHBondContact O-CH2 3.38Å; G116-W143 WeakPolarHBondContact O-CZ2 3.03Å
117	Y	83.4	Confident	78.1	Confident	112 Å²	112	59.7 Å²	59.7	44%	0.439	30%	0.295	S	S	.	.			trans	-106.7	147.8	168.1	-73.6	-90.8	0	0	0	109.7	I256 R260 P326	Y117-I256 HydrophobicContact CE1-CG2 3.72Å; Y117-R260 HydrophobicContact CD1-CB 4.15Å; Y117-R260 HydrophobicContact CD1-CG 3.81Å; Y117-R260 HydrophobicContact CE1-CB 4.08Å; Y117-R260 VanDerWaalsContact CE1-CD 3.48Å; Y117-R260 HydrophobicContact CE1-CG 3.97Å; Y117-P326 HydrophobicContact CD1-CB 4.11Å; Y117-P326 HydrophobicContact CD1-CG 3.55Å; Y117-P326 HydrophobicContact CD2-CB 3.85Å; Y117-P326 HydrophobicContact CD2-CG 4.18Å; Y117-P326 HydrophobicContact CE1-CB 4.18Å; Y117-P326 HydrophobicContact CE1-CG 3.45Å; Y117-P326 VanDerWaalsContact CE1-CG 3.45Å; Y117-P326 HydrophobicContact CE2-CB 3.92Å; Y117-P326 HydrophobicContact CE2-CG 4.09Å; Y117-P326 HydrophobicContact CG-CB 3.94Å; Y117-P326 HydrophobicContact CG-CG 3.92Å
118	P	84.1	Confident	78.5	Confident	11 Å²	11	59.7 Å²	59.7	7%	0.071	30%	0.295	C	S	.	.			trans	-63.2	144.2	174.7	26.7	-32	0	0	0	109.9	W143 R265	P118-W143 HydrophobicContact CB-CD2 3.95Å; P118-W143 HydrophobicContact CB-CE3 3.94Å; P118-W143 HydrophobicContact CB-CH2 4.47Å; P118-W143 HydrophobicContact CB-CZ2 4.47Å; P118-W143 HydrophobicContact CB-CZ3 4.2Å; P118-W143 HydrophobicContact CG-CE3 4.42Å; P118-W143 HydrophobicContact CG-CH2 4.44Å; P118-W143 HydrophobicContact CG-CZ3 4.22Å; P118-R265 HydrophobicContact CB-CG 3.94Å; P118-R265 HydrophobicContact CG-CG 3.73Å; P118-R265 WeakPolarHBondContact O-CG 3.38Å
119	N	83.8	Confident	79	Confident	70 Å²	70	59.6 Å²	59.6	37%	0.374	29%	0.294	S	S	.	.			trans	-131.4	177.3	175.7	65.6	39.8	0	0	0	110.3	D121 S122	N119-D121 PolarHBondContact O-N 3.06Å; N119-D121 PolarHBondContact OD1-N 2.99Å; N119-S122 VanDerWaalsContact CG-OG 3.3Å; N119-S122 PolarHBondContact N-OG 3.34Å; N119-S122 WeakPolarHBondContact O-CB 2.83Å; N119-S122 PolarHBondContact O-N 3.06Å; N119-S122 PolarHBondContact O-OG 3.25Å; N119-S122 PolarHBondContact OD1-N 3.12Å; N119-S122 PolarHBondContact OD1-OG 2.8Å
120	Q	79	Confident	79.7	Confident	15 Å²	15	58.9 Å²	58.9	7%	0.07	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.8	-176.8	179.3	165.9	-1.9	0	0	113.9	N181 Y329 R423	Q120-N181 PolarHBondContact O-ND2 2.96Å; Q120-Y329 HydrophobicContact CB-CE2 4.17Å; Q120-Y329 PolarHBondContact OE1-OH 2.97Å; Q120-R423 VanDerWaalsContact OE1-NH1 3.08Å
121	D	80	Confident	80.6	Confident	138 Å²	138	58.4 Å²	58.4	74%	0.738	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	2.7	-178	-54.7	-43.6	0	0	0	112	N119 S123	N119-D121 PolarHBondContact O-N 3.06Å; N119-D121 PolarHBondContact OD1-N 2.99Å; D121-S123 PolarHBondContact O-N 2.8Å
122	S	80.7	Confident	81.3	Confident	16 Å²	16	56.5 Å²	56.5	11%	0.112	29%	0.288	C	S	.	.			trans	-66.6	115.6	177.2	-66.3	0	0	0	0	110	N119 E124	N119-S122 VanDerWaalsContact CG-OG 3.3Å; N119-S122 PolarHBondContact N-OG 3.34Å; N119-S122 WeakPolarHBondContact O-CB 2.83Å; N119-S122 PolarHBondContact O-N 3.06Å; N119-S122 PolarHBondContact O-OG 3.25Å; N119-S122 PolarHBondContact OD1-N 3.12Å; N119-S122 PolarHBondContact OD1-OG 2.8Å; S122-E124 PolarHBondContact O-N 3.36Å
123	S	83.1	Confident	81.8	Confident	32 Å²	32	52.3 Å²	52.3	22%	0.224	28%	0.279	C	S	.	.			trans	-65.5	123.7	176.9	178.1	0	0	0	0	110.8	D121 E140 T141 G144	D121-S123 PolarHBondContact O-N 2.8Å; S123-E140 VanDerWaalsContact CB-OE2 3.22Å; S123-E140 WeakPolarHBondContact CB-OE2 3.15Å; S123-E140 PolarHBondContact OG-OE2 3.42Å; S123-T141 PolarHBondContact O-OG1 3.32Å; S123-G144 PolarHBondContact O-N 3.16Å
124	E	85.8	Confident	82.7	Confident	15 Å²	15	52.2 Å²	52.2	7%	0.07	28%	0.276	C	S	.	.			trans	-103.7	16	178.8	-60	-175.9	-95.1	0	0	112.5	S122 R147 P178 R183 N212	S122-E124 PolarHBondContact O-N 3.36Å; E124-R147 HydrophobicContact CB-CG 4.33Å; E124-R147 IonicContact OE2-CZ 3.87Å; E124-R147 IonicContact OE2-NE 3.83Å; E124-R147 PolarHBondContact OE2-NE 2.91Å; E124-R147 IonicContact OE2-NH2 4Å; E124-R147 PolarHBondContact OE2-NH2 2.93Å; E124-P178 HydrophobicContact CB-CG 4.01Å; E124-R183 IonicContact OE1-CZ 3.08Å; E124-R183 IonicContact OE1-NH1 3.75Å; E124-R183 PolarHBondContact OE1-NH1 2.77Å; E124-R183 IonicContact OE1-NH2 2.74Å; E124-R183 PolarHBondContact OE1-NH2 3.06Å; E124-R183 IonicContact OE2-CZ 3.03Å; E124-R183 IonicContact OE2-NH2 3.34Å; E124-R183 PolarHBondContact OE2-NH2 3.36Å; E124-N212 PolarHBondContact OE1-ND2 3.18Å
125	R	87.3	Confident	83.6	Confident	126 Å²	126	51.4 Å²	51.4	48%	0.475	27%	0.27	S	S	.	.			trans	-75.6	138.1	-178.4	-174.9	177.2	-176.6	-174.5	1.6	111.7	E175 D176	R125-E175 IonicContact CZ-OE1 3.46Å; R125-E175 IonicContact NE-OE1 3.5Å; R125-E175 IonicContact NH2-OE1 3.31Å; R125-E175 PolarHBondContact NH2-OE1 3.43Å; R125-D176 WeakPolarHBondContact CA-O 3.32Å
126	Y	87.6	Confident	84.5	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.9	174.3	69.8	-86.1	0	0	0	112.8	L128 L137 N138 T150 T154 I174 D176 W495	Y126-L128 HydrophobicContact CD2-CB 4.35Å; Y126-L128 HydrophobicContact CE2-CB 4.33Å; Y126-L137 HydrophobicContact CD2-CD1 3.61Å; Y126-L137 HydrophobicContact CE2-CD1 4.45Å; Y126-L137 HydrophobicContact CG-CD1 4.21Å; Y126-N138 CarbonylContact C-O 3.47Å; Y126-N138 WeakPolarHBondContact CA-O 3.24Å; Y126-T150 VanDerWaalsContact CE1-OG1 3.26Å; Y126-T150 WeakPolarHBondContact CE1-OG1 3.44Å; Y126-T154 PolarHBondContact OH-OG1 3.1Å; Y126-I174 HydrophobicContact CE2-CG2 4.38Å; Y126-D176 HydrophobicContact CD1-CB 4.24Å; Y126-D176 HydrophobicContact CE1-CB 3.58Å; Y126-D176 WeakPolarHBondContact CE1-OD2 3.27Å; Y126-D176 HydrophobicContact CE2-CB 4.04Å; Y126-D176 VanDerWaalsContact CZ-CB 3.46Å; Y126-D176 VanDerWaalsContact CZ-OD2 3.31Å; Y126-D176 PolarHBondContact N-O 2.94Å; Y126-D176 PolarHBondContact O-N 2.82Å; Y126-D176 WeakPolarHBondContact OH-CB 2.9Å; Y126-D176 PolarHBondContact OH-OD2 3.05Å; Y126-W495 HydrophobicContact CE1-CH2 4.49Å; Y126-W495 HydrophobicContact CE1-CZ2 4.03Å
127	K	89.8	Confident	84.8	Confident	96 Å²	96	45.5 Å²	45.5	42%	0.417	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.9	170.8	-175.3	173.3	-179.3	170.6	0	109.6	L137 N138 I174	K127-L137 WeakPolarHBondContact O-CA 3.25Å; K127-N138 PolarHBondContact N-O 2.87Å; K127-N138 PolarHBondContact O-N 3.22Å; K127-I174 CarbonylContact C-O 3.37Å; K127-I174 VanDerWaalsContact CA-O 3.31Å; K127-I174 WeakPolarHBondContact CA-O 3.39Å
128	L	89.1	Confident	84.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.5	176.4	176	66.7	0	0	0	109.1	L105 Y126 V130 S136 L137 T154 F155 L158 E173 I174	L105-L128 HydrophobicContact CD1-CD1 4.26Å; Y126-L128 HydrophobicContact CD2-CB 4.35Å; Y126-L128 HydrophobicContact CE2-CB 4.33Å; L128-V130 HydrophobicContact CG-CG2 4.45Å; L128-S136 WeakPolarHBondContact CA-O 3.49Å; L128-L137 HydrophobicContact CB-CD1 4.01Å; L128-L137 HydrophobicContact CD1-CB 4.24Å; L128-L137 HydrophobicContact CD1-CD1 4.21Å; L128-T154 HydrophobicContact CD2-CG2 4.27Å; L128-F155 HydrophobicContact CD1-CD2 4.45Å; L128-F155 HydrophobicContact CD2-CB 4.08Å; L128-F155 HydrophobicContact CD2-CD2 4.46Å; L128-L158 HydrophobicContact CD2-CD1 3.99Å; L128-E173 WeakPolarHBondContact O-CA 3.26Å; L128-I174 HydrophobicContact CB-CB 4.27Å; L128-I174 HydrophobicContact CD2-CD1 4.43Å; L128-I174 PolarHBondContact N-O 2.89Å; L128-I174 PolarHBondContact O-N 2.97Å
129	S	90.3	Very high	84.6	Confident	12 Å²	12	42.5 Å²	42.5	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121	177	-54.8	0	0	0	0	109.8	F131 A135 S136	S129-F131 VanDerWaalsContact CB-CZ 3.43Å; S129-A135 CarbonylContact O-C 3.28Å; S129-A135 WeakPolarHBondContact O-CA 3.42Å; S129-S136 PolarHBondContact N-O 3.44Å; S129-S136 PolarHBondContact O-N 2.87Å
130	V	88.4	Confident	84.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.7	179.8	-179	0	0	0	0	108.8	Y49 F103 L128 A135 F155 V169 N170 K171 T172	Y49-V130 HydrophobicContact CD2-CG1 4.15Å; Y49-V130 HydrophobicContact CE2-CG1 4.42Å; F103-V130 HydrophobicContact CZ-CG1 4.24Å; L128-V130 HydrophobicContact CG-CG2 4.45Å; V130-A135 HydrophobicContact CG2-CB 4.2Å; V130-F155 HydrophobicContact CG2-CD2 4.34Å; V130-F155 HydrophobicContact CG2-CE2 4.32Å; V130-V169 HydrophobicContact CG1-CG1 4.04Å; V130-V169 HydrophobicContact CG1-CG2 4.12Å; V130-N170 WeakPolarHBondContact CG1-O 3.46Å; V130-K171 WeakPolarHBondContact O-CG 3.16Å; V130-T172 PolarHBondContact N-O 2.85Å
131	F	86.3	Confident	83.8	Confident	83 Å²	83	43.3 Å²	43.3	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	176.4	-179.6	-53.1	-76.5	0	0	0	111.1	Y49 S129 G133 Q134	Y49-F131 WeakPolarHBondContact CE2-O 3.44Å; S129-F131 VanDerWaalsContact CB-CZ 3.43Å; F131-G133 PolarHBondContact O-N 3.08Å; F131-G133 VanDerWaalsContact O-N 3.14Å; F131-Q134 CarbonylContact C-O 3.56Å; F131-Q134 WeakPolarHBondContact CA-O 3.26Å; F131-Q134 PolarHBondContact N-O 3.37Å; F131-Q134 PolarHBondContact O-N 3.01Å
132	A	81.4	Confident	83.1	Confident	71 Å²	71	36.8 Å²	36.8	59%	0.587	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	115.8	176.8	0	0	0	0	0	110.9	Y49 Q134	Y49-A132 HydrophobicContact CD1-CB 4.34Å; Y49-A132 VanDerWaalsContact CE1-CA 3.46Å; Y49-A132 HydrophobicContact CE1-CB 3.59Å; Y49-A132 VanDerWaalsContact CZ-CA 3.48Å; Y49-A132 VanDerWaalsContact CZ-N 3.27Å; Y49-A132 PolarHBondContact OH-N 2.79Å; A132-Q134 PolarHBondContact O-N 3.33Å
133	G	75.4	Confident	82.4	Confident	40 Å²	40	36.8 Å²	36.8	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-6.4	177.5	0	0	0	0	0	116	F103 T104 F131	F103-G133 WeakPolarHBondContact CA-O 3.2Å; T104-G133 PolarHBondContact N-O 2.83Å; F131-G133 PolarHBondContact O-N 3.08Å; F131-G133 VanDerWaalsContact O-N 3.14Å
134	Q	85.6	Confident	80.9	Confident	90 Å²	90	35.3 Å²	35.3	42%	0.421	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.5	-179.6	-169.3	179	6.4	0	0	112.2	T104 T106 F131 A132	T104-Q134 WeakPolarHBondContact O-CA 3.4Å; T104-Q134 WeakPolarHBondContact O-CG 3.47Å; T106-Q134 VanDerWaalsContact CG2-NE2 3.3Å; T106-Q134 PolarHBondContact OG1-NE2 3.06Å; F131-Q134 CarbonylContact C-O 3.56Å; F131-Q134 WeakPolarHBondContact CA-O 3.26Å; F131-Q134 PolarHBondContact N-O 3.37Å; F131-Q134 PolarHBondContact O-N 3.01Å; A132-Q134 PolarHBondContact O-N 3.33Å
135	A	86.7	Confident	79	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.2	163	0	0	0	0	0	110	F103 T104 L105 T106 S129 V130 F155	F103-A135 HydrophobicContact CE1-CB 3.8Å; F103-A135 HydrophobicContact CZ-CB 3.91Å; T104-A135 PolarHBondContact O-N 2.9Å; L105-A135 CarbonylContact C-O 3.48Å; L105-A135 WeakPolarHBondContact CA-O 3.24Å; L105-A135 HydrophobicContact CD1-CB 3.29Å; L105-A135 HydrophobicContact CG-CB 4.46Å; T106-A135 PolarHBondContact N-O 2.95Å; T106-A135 PolarHBondContact OG1-O 3.44Å; S129-A135 CarbonylContact O-C 3.28Å; S129-A135 WeakPolarHBondContact O-CA 3.42Å; V130-A135 HydrophobicContact CG2-CB 4.2Å; A135-F155 HydrophobicContact CB-CD2 4.49Å; A135-F155 HydrophobicContact CB-CE2 3.93Å
136	S	87.9	Confident	77.1	Confident	25 Å²	25	28.6 Å²	28.6	18%	0.175	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.2	178.9	-177.4	0	0	0	0	109.8	T106 L128 S129	T106-S136 WeakPolarHBondContact O-CA 3.41Å; L128-S136 WeakPolarHBondContact CA-O 3.49Å; S129-S136 PolarHBondContact N-O 3.44Å; S129-S136 PolarHBondContact O-N 2.87Å
137	L	85.9	Confident	75.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112	173.2	-179.8	67.1	0	0	0	108.9	T106 I107 S108 Y126 K127 L128 L152	T106-L137 PolarHBondContact O-N 3.47Å; I107-L137 WeakPolarHBondContact CA-O 3.19Å; I107-L137 HydrophobicContact CD1-CD2 4.01Å; I107-L137 HydrophobicContact CG1-CB 4.33Å; I107-L137 HydrophobicContact CG1-CD2 4.32Å; S108-L137 PolarHBondContact N-O 3.49Å; Y126-L137 HydrophobicContact CD2-CD1 3.61Å; Y126-L137 HydrophobicContact CE2-CD1 4.45Å; Y126-L137 HydrophobicContact CG-CD1 4.21Å; K127-L137 WeakPolarHBondContact O-CA 3.25Å; L128-L137 HydrophobicContact CB-CD1 4.01Å; L128-L137 HydrophobicContact CD1-CB 4.24Å; L128-L137 HydrophobicContact CD1-CD1 4.21Å; L137-L152 HydrophobicContact CD2-CD2 4.44Å
138	N	84.9	Confident	72.8	Confident	58 Å²	58	24 Å²	24	31%	0.31	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.2	174.7	-166.5	41.1	0	0	0	110.8	S108 Y126 K127	S108-N138 PolarHBondContact O-OD1 2.61Å; S108-N138 PolarHBondContact OG-OD1 3.48Å; Y126-N138 CarbonylContact C-O 3.47Å; Y126-N138 WeakPolarHBondContact CA-O 3.24Å; K127-N138 PolarHBondContact N-O 2.87Å; K127-N138 PolarHBondContact O-N 3.22Å
139	A	78.4	Confident	70.5	Confident	2 Å²	2	24 Å²	24	2%	0.017	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147.6	-179.9	0	0	0	0	0	112.5	S108 L109 D110 G144	S108-A139 PolarHBondContact O-N 3.07Å; S108-A139 VanDerWaalsContact O-N 3.12Å; L109-A139 WeakPolarHBondContact CA-O 3.36Å; D110-A139 PolarHBondContact N-O 3.02Å; A139-G144 VanDerWaalsContact CB-O 3.32Å; A139-G144 WeakPolarHBondContact CB-O 3.36Å
140	E	74.4	Confident	68.8	Low	78 Å²	78	23.4 Å²	23.4	36%	0.364	14%	0.137	S	C	.	.	S	Bend	trans	-70.3	-48.8	-174	-178.2	179.8	178.7	0	0	112.2	H111 S123	H111-E140 WeakPolarHBondContact CB-O 3.44Å; H111-E140 PolarHBondContact CD2-O 3.06Å; H111-E140 PolarHBondContact N-O 3.09Å; S123-E140 VanDerWaalsContact CB-OE2 3.22Å; S123-E140 WeakPolarHBondContact CB-OE2 3.15Å; S123-E140 PolarHBondContact OG-OE2 3.42Å
141	T	70.9	Confident	67.9	Low	24 Å²	24	23.4 Å²	23.4	15%	0.147	14%	0.137	C	C	.	.	S	Bend	trans	-115.9	165.9	179	70.7	0	0	0	0	110.6	S123 W143 G144 S145	S123-T141 PolarHBondContact O-OG1 3.32Å; T141-W143 PolarHBondContact O-N 2.88Å; T141-W143 VanDerWaalsContact O-N 3.12Å; T141-W143 WeakPolarHBondContact OG1-CA 3.28Å; T141-W143 WeakPolarHBondContact OG1-CB 3.32Å; T141-W143 PolarHBondContact OG1-N 2.66Å; T141-G144 CarbonylContact O-C 3.53Å; T141-G144 PolarHBondContact O-N 3.05Å; T141-G144 PolarHBondContact OG1-N 3.3Å; T141-S145 WeakPolarHBondContact O-CB 3.31Å; T141-S145 PolarHBondContact O-N 2.89Å; T141-S145 PolarHBondContact O-OG 2.85Å
142	V	66.1	Low	67.6	Low	1 Å²	1	19.5 Å²	19.5	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-21.2	165.2	-176.6	0	0	0	0	110.6	L109 D113 C114 S145 L146	L109-V142 HydrophobicContact CD1-CG2 3.87Å; D113-V142 VanDerWaalsContact C-CG2 3.48Å; D113-V142 WeakPolarHBondContact O-CB 3.45Å; D113-V142 VanDerWaalsContact O-CG2 3.26Å; D113-V142 WeakPolarHBondContact O-CG2 3.45Å; C114-V142 HydrophobicContact CB-CG1 4.41Å; C114-V142 HydrophobicContact CB-CG2 4.37Å; C114-V142 WeakPolarHBondContact SG-CG2 3.31Å; V142-S145 VanDerWaalsContact CA-OG 3.24Å; V142-S145 WeakPolarHBondContact CA-OG 3.49Å; V142-S145 CarbonylContact O-C 3.51Å; V142-S145 PolarHBondContact O-N 2.96Å; V142-S145 PolarHBondContact O-OG 3.29Å; V142-L146 HydrophobicContact CG1-CB 4.35Å; V142-L146 HydrophobicContact CG1-CD1 3.3Å; V142-L146 HydrophobicContact CG1-CD2 4.44Å; V142-L146 HydrophobicContact CG1-CG 3.37Å; V142-L146 WeakPolarHBondContact O-CA 3.44Å; V142-L146 WeakPolarHBondContact O-CB 3.37Å; V142-L146 WeakPolarHBondContact O-CG 3.32Å; V142-L146 PolarHBondContact O-N 2.94Å
143	W	65.2	Low	67.8	Low	16 Å²	16	16.1 Å²	16.1	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-81.3	-35.9	172.2	-48.4	109.7	0	0	0	112.7	G116 P118 T141 S145 L146 R147 R260	G116-W143 VanDerWaalsContact O-CH2 3.31Å; G116-W143 WeakPolarHBondContact O-CH2 3.38Å; G116-W143 WeakPolarHBondContact O-CZ2 3.03Å; P118-W143 HydrophobicContact CB-CD2 3.95Å; P118-W143 HydrophobicContact CB-CE3 3.94Å; P118-W143 HydrophobicContact CB-CH2 4.47Å; P118-W143 HydrophobicContact CB-CZ2 4.47Å; P118-W143 HydrophobicContact CB-CZ3 4.2Å; P118-W143 HydrophobicContact CG-CE3 4.42Å; P118-W143 HydrophobicContact CG-CH2 4.44Å; P118-W143 HydrophobicContact CG-CZ3 4.22Å; T141-W143 PolarHBondContact O-N 2.88Å; T141-W143 VanDerWaalsContact O-N 3.12Å; T141-W143 WeakPolarHBondContact OG1-CA 3.28Å; T141-W143 WeakPolarHBondContact OG1-CB 3.32Å; T141-W143 PolarHBondContact OG1-N 2.66Å; W143-S145 PolarHBondContact O-N 3.26Å; W143-L146 HydrophobicContact CE3-CB 4.15Å; W143-L146 HydrophobicContact CE3-CD1 3.84Å; W143-L146 HydrophobicContact CH2-CD1 4.18Å; W143-L146 HydrophobicContact CZ3-CD1 3.53Å; W143-L146 PolarHBondContact O-N 3.47Å; W143-R147 WeakPolarHBondContact O-CB 3.47Å; W143-R147 WeakPolarHBondContact O-CG 3.48Å; W143-R147 PolarHBondContact O-N 3.04Å; W143-R260 HydrophobicContact CH2-CG 4.36Å
144	G	51.5	Low	68.4	Low	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.6	-22.5	166.7	0	0	0	0	0	112.7	S123 A139 T141 R147	S123-G144 PolarHBondContact O-N 3.16Å; A139-G144 VanDerWaalsContact CB-O 3.32Å; A139-G144 WeakPolarHBondContact CB-O 3.36Å; T141-G144 CarbonylContact O-C 3.53Å; T141-G144 PolarHBondContact O-N 3.05Å; T141-G144 PolarHBondContact OG1-N 3.3Å; G144-R147 VanDerWaalsContact O-CB 3.28Å; G144-R147 WeakPolarHBondContact O-CB 3.34Å
145	S	46	Very low	68.5	Low	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-106.8	-9.8	175.7	85.4	0	0	0	0	115.8	L73 L109 T141 V142 W143 R147 A148	L73-S145 VanDerWaalsContact CD2-O 3.27Å; L73-S145 WeakPolarHBondContact CD2-O 3.44Å; L109-S145 WeakPolarHBondContact CD2-OG 3.44Å; T141-S145 WeakPolarHBondContact O-CB 3.31Å; T141-S145 PolarHBondContact O-N 2.89Å; T141-S145 PolarHBondContact O-OG 2.85Å; V142-S145 VanDerWaalsContact CA-OG 3.24Å; V142-S145 WeakPolarHBondContact CA-OG 3.49Å; V142-S145 CarbonylContact O-C 3.51Å; V142-S145 PolarHBondContact O-N 2.96Å; V142-S145 PolarHBondContact O-OG 3.29Å; W143-S145 PolarHBondContact O-N 3.26Å; S145-R147 CarbonylContact O-C 3.56Å; S145-A148 WeakPolarHBondContact O-CA 3.34Å; S145-A148 WeakPolarHBondContact O-CB 3.13Å; S145-A148 PolarHBondContact O-N 2.75Å
146	L	46.4	Very low	68.7	Low	1 Å²	1	10.4 Å²	10.4	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-102.9	-8.8	170.7	-78.8	179.1	0	0	0	112.9	V72 L73 V142 W143 A148 S149	V72-L146 HydrophobicContact CB-CD1 3.51Å; V72-L146 HydrophobicContact CB-CD2 3.55Å; V72-L146 HydrophobicContact CB-CG 4.11Å; V72-L146 HydrophobicContact CG1-CD1 3.36Å; V72-L146 HydrophobicContact CG1-CD2 3.3Å; V72-L146 HydrophobicContact CG1-CG 3.92Å; V72-L146 HydrophobicContact CG2-CD1 4.02Å; L73-L146 HydrophobicContact CD2-CD2 3.69Å; L73-L146 HydrophobicContact CD2-CG 4.34Å; L73-L146 HydrophobicContact CG-CD2 3.93Å; V142-L146 HydrophobicContact CG1-CB 4.35Å; V142-L146 HydrophobicContact CG1-CD1 3.3Å; V142-L146 HydrophobicContact CG1-CD2 4.44Å; V142-L146 HydrophobicContact CG1-CG 3.37Å; V142-L146 WeakPolarHBondContact O-CA 3.44Å; V142-L146 WeakPolarHBondContact O-CB 3.37Å; V142-L146 WeakPolarHBondContact O-CG 3.32Å; V142-L146 PolarHBondContact O-N 2.94Å; W143-L146 HydrophobicContact CE3-CB 4.15Å; W143-L146 HydrophobicContact CE3-CD1 3.84Å; W143-L146 HydrophobicContact CH2-CD1 4.18Å; W143-L146 HydrophobicContact CZ3-CD1 3.53Å; W143-L146 PolarHBondContact O-N 3.47Å; L146-A148 HydrophobicContact CD2-CB 4.34Å; L146-A148 PolarHBondContact O-N 2.98Å; L146-A148 VanDerWaalsContact O-N 3.07Å; L146-S149 PolarHBondContact O-N 3.26Å; L146-S149 PolarHBondContact O-OG 3.01Å
147	R	52.6	Low	68.7	Low	3 Å²	3	9.3 Å²	9.3	1%	0.011	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn		-49.8	27.8	110	-63.9	-67.7	163.6	-142.4	16	114.9	E124 W143 G144 S145 S149 T150 G151 K210 F211	E124-R147 HydrophobicContact CB-CG 4.33Å; E124-R147 IonicContact OE2-CZ 3.87Å; E124-R147 IonicContact OE2-NE 3.83Å; E124-R147 PolarHBondContact OE2-NE 2.91Å; E124-R147 IonicContact OE2-NH2 4Å; E124-R147 PolarHBondContact OE2-NH2 2.93Å; W143-R147 WeakPolarHBondContact O-CB 3.47Å; W143-R147 WeakPolarHBondContact O-CG 3.48Å; W143-R147 PolarHBondContact O-N 3.04Å; G144-R147 VanDerWaalsContact O-CB 3.28Å; G144-R147 WeakPolarHBondContact O-CB 3.34Å; S145-R147 CarbonylContact O-C 3.56Å; R147-S149 VanDerWaalsContact C-C 3.49Å; R147-S149 PolarHBondContact NH1-OG 3.25Å; R147-S149 CarbonylContact O-C 3.51Å; R147-T150 VanDerWaalsContact CA-N 3.26Å; R147-T150 WeakPolarHBondContact CB-OG1 3.34Å; R147-T150 WeakPolarHBondContact CD-OG1 3.47Å; R147-T150 HydrophobicContact CG-CG2 4.2Å; R147-T150 VanDerWaalsContact CG-OG1 3.27Å; R147-T150 WeakPolarHBondContact CG-OG1 3.4Å; R147-T150 CarbonylContact O-C 3.54Å; R147-T150 PolarHBondContact O-N 3.24Å; R147-G151 WeakPolarHBondContact O-CA 3.19Å; R147-G151 PolarHBondContact O-N 2.56Å; R147-K210 PolarHBondContact NH2-O 2.81Å; R147-F211 PolarHBondContact NH2-O 3.07Å
148	A	36.3	Very low	68.9	Low	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-0.4	136.3	0	0	0	0	0	109	L73 A76 Y80 S145 L146 L152	L73-A148 HydrophobicContact CD2-CB 3.62Å; A76-A148 HydrophobicContact CB-CB 3.73Å; Y80-A148 WeakPolarHBondContact CD2-O 3.45Å; Y80-A148 WeakPolarHBondContact CE2-O 3.46Å; S145-A148 WeakPolarHBondContact O-CA 3.34Å; S145-A148 WeakPolarHBondContact O-CB 3.13Å; S145-A148 PolarHBondContact O-N 2.75Å; L146-A148 HydrophobicContact CD2-CB 4.34Å; L146-A148 PolarHBondContact O-N 2.98Å; L146-A148 VanDerWaalsContact O-N 3.07Å; A148-L152 HydrophobicContact CB-CD1 3.49Å; A148-L152 VanDerWaalsContact CB-CD1 3.49Å; A148-L152 HydrophobicContact CB-CG 3.78Å; A148-L152 WeakPolarHBondContact O-CB 2.76Å; A148-L152 VanDerWaalsContact O-CD1 3.27Å; A148-L152 WeakPolarHBondContact O-CD1 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.12Å
149	S	40.5	Very low	69.1	Low	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-86.8	132.5	54.5	0	0	0	0	109.5	Y80 L146 R147 G151 L152 E153	Y80-S149 WeakPolarHBondContact OH-CA 3.43Å; L146-S149 PolarHBondContact O-N 3.26Å; L146-S149 PolarHBondContact O-OG 3.01Å; R147-S149 VanDerWaalsContact C-C 3.49Å; R147-S149 PolarHBondContact NH1-OG 3.25Å; R147-S149 CarbonylContact O-C 3.51Å; S149-G151 PolarHBondContact O-N 2.81Å; S149-L152 CarbonylContact O-C 3.57Å; S149-L152 PolarHBondContact O-N 2.66Å; S149-L152 VanDerWaalsContact O-N 3.09Å; S149-E153 VanDerWaalsContact C-CB 3.48Å; S149-E153 VanDerWaalsContact O-CA 3.27Å; S149-E153 WeakPolarHBondContact O-CA 3.35Å; S149-E153 WeakPolarHBondContact O-CB 3.38Å; S149-E153 PolarHBondContact O-N 3.19Å
150	T	54.8	Low	69.4	Low	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.3	-44.4	-163.7	67.4	0	0	0	0	120.6	Y126 R147 E153 T154 K210 W495	Y126-T150 VanDerWaalsContact CE1-OG1 3.26Å; Y126-T150 WeakPolarHBondContact CE1-OG1 3.44Å; R147-T150 VanDerWaalsContact CA-N 3.26Å; R147-T150 WeakPolarHBondContact CB-OG1 3.34Å; R147-T150 WeakPolarHBondContact CD-OG1 3.47Å; R147-T150 HydrophobicContact CG-CG2 4.2Å; R147-T150 VanDerWaalsContact CG-OG1 3.27Å; R147-T150 WeakPolarHBondContact CG-OG1 3.4Å; R147-T150 CarbonylContact O-C 3.54Å; R147-T150 PolarHBondContact O-N 3.24Å; T150-E153 PolarHBondContact O-N 2.79Å; T150-T154 WeakPolarHBondContact O-CA 3.38Å; T150-T154 WeakPolarHBondContact O-CB 3.28Å; T150-T154 PolarHBondContact O-N 2.74Å; T150-T154 PolarHBondContact O-OG1 2.93Å; T150-K210 VanDerWaalsContact CB-CE 3.49Å; T150-K210 HydrophobicContact CG2-CB 3.58Å; T150-K210 HydrophobicContact CG2-CD 3.29Å; T150-K210 VanDerWaalsContact CG2-CE 3.43Å; T150-K210 HydrophobicContact CG2-CG 3.34Å; T150-W495 HydrophobicContact CG2-CH2 3.9Å; T150-W495 HydrophobicContact CG2-CZ2 4.48Å; T150-W495 HydrophobicContact CG2-CZ3 4.12Å
151	G	67.6	Low	69.9	Low	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.4	-46.7	172.1	0	0	0	0	0	112.3	R147 S149 E153 F155	R147-G151 WeakPolarHBondContact O-CA 3.19Å; R147-G151 PolarHBondContact O-N 2.56Å; S149-G151 PolarHBondContact O-N 2.81Å; G151-E153 VanDerWaalsContact C-N 3.3Å; G151-E153 PolarHBondContact O-N 3.04Å; G151-F155 VanDerWaalsContact O-CB 3.26Å; G151-F155 WeakPolarHBondContact O-CB 3.44Å; G151-F155 PolarHBondContact O-N 3.09Å
152	L	80.3	Confident	70.5	Confident	1 Å²	1	9.3 Å²	9.3	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-70.8	-25.8	173.9	-65.3	-171	0	0	0	113	F58 A76 F77 Y80 L105 I107 L137 A148 S149 S156	F58-L152 HydrophobicContact CD1-CD2 4.42Å; F58-L152 HydrophobicContact CE1-CD1 4.47Å; F58-L152 HydrophobicContact CE1-CD2 3.92Å; A76-L152 HydrophobicContact CB-CD1 4.33Å; F77-L152 HydrophobicContact CD1-CD1 3.97Å; F77-L152 HydrophobicContact CE1-CD1 4.21Å; Y80-L152 HydrophobicContact CD1-CB 4Å; Y80-L152 HydrophobicContact CD2-CB 3.85Å; Y80-L152 HydrophobicContact CD2-CD1 3.8Å; Y80-L152 HydrophobicContact CD2-CG 4.45Å; Y80-L152 HydrophobicContact CE1-CB 4.24Å; Y80-L152 HydrophobicContact CE2-CB 4.11Å; Y80-L152 HydrophobicContact CG-CB 3.8Å; Y80-L152 HydrophobicContact CG-CD1 4.08Å; L105-L152 HydrophobicContact CD2-CD2 3.17Å; L105-L152 HydrophobicContact CG-CD2 4.43Å; I107-L152 HydrophobicContact CD1-CD2 4.31Å; L137-L152 HydrophobicContact CD2-CD2 4.44Å; A148-L152 HydrophobicContact CB-CD1 3.49Å; A148-L152 VanDerWaalsContact CB-CD1 3.49Å; A148-L152 HydrophobicContact CB-CG 3.78Å; A148-L152 WeakPolarHBondContact O-CB 2.76Å; A148-L152 VanDerWaalsContact O-CD1 3.27Å; A148-L152 WeakPolarHBondContact O-CD1 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.12Å; S149-L152 CarbonylContact O-C 3.57Å; S149-L152 PolarHBondContact O-N 2.66Å; S149-L152 VanDerWaalsContact O-N 3.09Å; L152-S156 WeakPolarHBondContact O-CB 3.33Å; L152-S156 PolarHBondContact O-N 2.73Å
153	E	86.9	Confident	71.1	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-76.3	-51.9	179.6	176	55.9	-137.1	0	0	107.8	Y80 S149 T150 G151 F155 S156 Q157 Y208 R521	Y80-E153 HydrophobicContact CE1-CB 4.18Å; Y80-E153 WeakPolarHBondContact CE1-OE2 3.38Å; Y80-E153 WeakPolarHBondContact OH-CB 3.33Å; Y80-E153 PolarHBondContact OH-OE2 2.85Å; S149-E153 VanDerWaalsContact C-CB 3.48Å; S149-E153 VanDerWaalsContact O-CA 3.27Å; S149-E153 WeakPolarHBondContact O-CA 3.35Å; S149-E153 WeakPolarHBondContact O-CB 3.38Å; S149-E153 PolarHBondContact O-N 3.19Å; T150-E153 PolarHBondContact O-N 2.79Å; G151-E153 VanDerWaalsContact C-N 3.3Å; G151-E153 PolarHBondContact O-N 3.04Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 PolarHBondContact O-N 3.43Å; E153-S156 WeakPolarHBondContact CA-OG 3.3Å; E153-S156 CarbonylContact O-C 3.36Å; E153-S156 WeakPolarHBondContact O-CA 3.48Å; E153-S156 WeakPolarHBondContact O-CB 3.48Å; E153-S156 PolarHBondContact O-N 3.49Å; E153-S156 PolarHBondContact O-OG 2.85Å; E153-Q157 WeakPolarHBondContact O-CB 3.21Å; E153-Q157 VanDerWaalsContact O-CG 3.28Å; E153-Q157 WeakPolarHBondContact O-CG 2.93Å; E153-Q157 PolarHBondContact O-N 3.5Å; E153-Q157 WeakPolarHBondContact OE1-CG 3.27Å; E153-Q157 PolarHBondContact OE1-NE2 2.84Å; E153-Y208 VanDerWaalsContact OE2-CD1 3.28Å; E153-Y208 WeakPolarHBondContact OE2-CD1 3.44Å; E153-R521 IonicContact OE1-CZ 2.97Å; E153-R521 IonicContact OE1-NH1 3.34Å; E153-R521 PolarHBondContact OE1-NH1 3.33Å; E153-R521 IonicContact OE1-NH2 2.96Å; E153-R521 PolarHBondContact OE1-NH2 3.34Å; E153-R521 IonicContact OE2-CZ 2.68Å; E153-R521 IonicContact OE2-NH1 3.79Å; E153-R521 PolarHBondContact OE2-NH1 3.05Å; E153-R521 IonicContact OE2-NH2 3.39Å
154	T	87.3	Confident	71.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.9	-48.4	169.9	-66.1	0	0	0	0	108.9	V35 P39 Y126 L128 T150 S156 Q157 L158 I174 K210	V35-T154 HydrophobicContact CG1-CG2 4.11Å; P39-T154 HydrophobicContact CG-CG2 4.42Å; Y126-T154 PolarHBondContact OH-OG1 3.1Å; L128-T154 HydrophobicContact CD2-CG2 4.27Å; T150-T154 WeakPolarHBondContact O-CA 3.38Å; T150-T154 WeakPolarHBondContact O-CB 3.28Å; T150-T154 PolarHBondContact O-N 2.74Å; T150-T154 PolarHBondContact O-OG1 2.93Å; T154-S156 PolarHBondContact O-N 3.15Å; T154-Q157 PolarHBondContact O-N 3.29Å; T154-Q157 VanDerWaalsContact O-N 3.09Å; T154-L158 WeakPolarHBondContact O-CG 3.49Å; T154-L158 PolarHBondContact O-N 2.79Å; T154-I174 HydrophobicContact CG2-CD1 3.49Å; T154-I174 VanDerWaalsContact CG2-CD1 3.49Å; T154-K210 PolarHBondContact OG1-NZ 3.26Å
155	F	88.8	Confident	73.2	Confident	1 Å²	1	26 Å²	26	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-57.4	-45.4	172.9	-176.7	-98.6	0	0	0	112.2	L51 F56 L84 F103 L105 L128 V130 A135 G151 E153 Q157 L158 V159 V169	L51-F155 HydrophobicContact CD1-CZ 4.48Å; F56-F155 AromaticContact CE2-CE1 3.94Å; F56-F155 HydrophobicContact CE2-CE1 3.94Å; F56-F155 AromaticContact CE2-CZ 3.99Å; F56-F155 HydrophobicContact CE2-CZ 3.99Å; F56-F155 AromaticContact CZ-CE1 3.86Å; F56-F155 HydrophobicContact CZ-CE1 3.86Å; F56-F155 HydrophobicContact CZ-CZ 4.33Å; L84-F155 HydrophobicContact CD1-CD1 4.3Å; L84-F155 HydrophobicContact CD1-CE1 4.05Å; F103-F155 HydrophobicContact CE1-CE2 4.3Å; F103-F155 HydrophobicContact CE1-CZ 4Å; L105-F155 HydrophobicContact CD1-CD2 4.48Å; L105-F155 HydrophobicContact CD2-CD1 4.15Å; L105-F155 HydrophobicContact CD2-CE1 4.41Å; L105-F155 HydrophobicContact CD2-CG 4.35Å; L128-F155 HydrophobicContact CD1-CD2 4.45Å; L128-F155 HydrophobicContact CD2-CB 4.08Å; L128-F155 HydrophobicContact CD2-CD2 4.46Å; V130-F155 HydrophobicContact CG2-CD2 4.34Å; V130-F155 HydrophobicContact CG2-CE2 4.32Å; A135-F155 HydrophobicContact CB-CD2 4.49Å; A135-F155 HydrophobicContact CB-CE2 3.93Å; G151-F155 VanDerWaalsContact O-CB 3.26Å; G151-F155 WeakPolarHBondContact O-CB 3.44Å; G151-F155 PolarHBondContact O-N 3.09Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 PolarHBondContact O-N 3.43Å; F155-Q157 PolarHBondContact O-N 3.03Å; F155-L158 WeakPolarHBondContact O-CB 3.46Å; F155-L158 PolarHBondContact O-N 2.9Å; F155-L158 VanDerWaalsContact O-N 3.1Å; F155-V159 HydrophobicContact CD1-CG2 4.45Å; F155-V159 HydrophobicContact CE1-CG2 4.05Å; F155-V159 HydrophobicContact CZ-CG2 4.24Å; F155-V159 WeakPolarHBondContact O-CG2 3.33Å; F155-V159 PolarHBondContact O-N 3.39Å; F155-V159 VanDerWaalsContact O-N 3.15Å; F155-V169 HydrophobicContact CE2-CG2 4.32Å
156	S	89.4	Confident	75	Confident	9 Å²	9	27.8 Å²	27.8	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-25.2	177.6	79.3	0	0	0	0	113.8	L152 E153 T154 R521	L152-S156 WeakPolarHBondContact O-CB 3.33Å; L152-S156 PolarHBondContact O-N 2.73Å; E153-S156 WeakPolarHBondContact CA-OG 3.3Å; E153-S156 CarbonylContact O-C 3.36Å; E153-S156 WeakPolarHBondContact O-CA 3.48Å; E153-S156 WeakPolarHBondContact O-CB 3.48Å; E153-S156 PolarHBondContact O-N 3.49Å; E153-S156 PolarHBondContact O-OG 2.85Å; T154-S156 PolarHBondContact O-N 3.15Å; S156-R521 PolarHBondContact OG-NH2 3.2Å
157	Q	89.4	Confident	77	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-83.1	-28.8	174.8	-69.9	-179.9	28.7	0	0	111.9	V35 W36 E153 T154 F155 V159 K517	V35-Q157 HydrophobicContact CG2-CB 4.48Å; W36-Q157 PolarHBondContact O-NE2 3.3Å; W36-Q157 PolarHBondContact O-OE1 2.63Å; W36-Q157 VanDerWaalsContact O-OE1 3.09Å; E153-Q157 WeakPolarHBondContact O-CB 3.21Å; E153-Q157 VanDerWaalsContact O-CG 3.28Å; E153-Q157 WeakPolarHBondContact O-CG 2.93Å; E153-Q157 PolarHBondContact O-N 3.5Å; E153-Q157 WeakPolarHBondContact OE1-CG 3.27Å; E153-Q157 PolarHBondContact OE1-NE2 2.84Å; T154-Q157 PolarHBondContact O-N 3.29Å; T154-Q157 VanDerWaalsContact O-N 3.09Å; F155-Q157 PolarHBondContact O-N 3.03Å; Q157-V159 VanDerWaalsContact C-N 3.31Å; Q157-K517 HydrophobicContact CG-CD 4.42Å; Q157-K517 PolarHBondContact O-NZ 2.99Å
158	L	88.9	Confident	78.7	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-71.5	-26.1	173.3	-67.7	175	0	0	0	112.7	A32 V35 L128 T154 F155 Y160 V169 I174	A32-L158 HydrophobicContact CB-CD2 4.27Å; V35-L158 HydrophobicContact CG2-CD2 3.77Å; V35-L158 HydrophobicContact CG2-CG 4.37Å; L128-L158 HydrophobicContact CD2-CD1 3.99Å; T154-L158 WeakPolarHBondContact O-CG 3.49Å; T154-L158 PolarHBondContact O-N 2.79Å; F155-L158 WeakPolarHBondContact O-CB 3.46Å; F155-L158 PolarHBondContact O-N 2.9Å; F155-L158 VanDerWaalsContact O-N 3.1Å; L158-Y160 WeakPolarHBondContact O-CD1 3.45Å; L158-V169 HydrophobicContact CB-CG2 4.08Å; L158-I174 HydrophobicContact CD1-CD1 3.94Å
159	V	88.7	Confident	81.3	Confident	14 Å²	14	30 Å²	30	9%	0.085	16%	0.156	C	C	.	.			trans	-74.4	127.3	174.8	178.7	0	0	0	0	110.1	L51 L84 F155 Q157 Y167 Y168 V169	L51-V159 HydrophobicContact CD1-CB 4.36Å; L51-V159 HydrophobicContact CD1-CG1 3.95Å; L51-V159 HydrophobicContact CD1-CG2 3.48Å; L51-V159 VanDerWaalsContact CD1-CG2 3.48Å; L84-V159 HydrophobicContact CD2-CB 3.72Å; L84-V159 HydrophobicContact CD2-CG1 4.09Å; L84-V159 HydrophobicContact CD2-CG2 3.6Å; F155-V159 HydrophobicContact CD1-CG2 4.45Å; F155-V159 HydrophobicContact CE1-CG2 4.05Å; F155-V159 HydrophobicContact CZ-CG2 4.24Å; F155-V159 WeakPolarHBondContact O-CG2 3.33Å; F155-V159 PolarHBondContact O-N 3.39Å; F155-V159 VanDerWaalsContact O-N 3.15Å; Q157-V159 VanDerWaalsContact C-N 3.31Å; V159-Y167 HydrophobicContact CG1-CD1 4Å; V159-Y168 WeakPolarHBondContact CA-O 3.4Å; V159-V169 HydrophobicContact CG2-CB 4.42Å
160	Y	86.5	Confident	83.6	Confident	65 Å²	65	30.4 Å²	30.4	26%	0.255	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160	177.4	66.1	-79.5	0	0	0	110.7	T31 L158 Y167 Y168 N170	T31-Y160 HydrophobicContact CG2-CD1 3.54Å; T31-Y160 HydrophobicContact CG2-CD2 4.38Å; T31-Y160 HydrophobicContact CG2-CE1 3.52Å; T31-Y160 HydrophobicContact CG2-CE2 4.33Å; T31-Y160 HydrophobicContact CG2-CG 4Å; L158-Y160 WeakPolarHBondContact O-CD1 3.45Å; Y160-Y167 WeakPolarHBondContact O-CA 2.93Å; Y160-Y168 WeakPolarHBondContact CD1-O 3.05Å; Y160-Y168 PolarHBondContact N-O 2.62Å; Y160-Y168 PolarHBondContact O-N 3.34Å; Y160-N170 VanDerWaalsContact CE1-OD1 3.3Å; Y160-N170 WeakPolarHBondContact CE1-OD1 2.91Å; Y160-N170 PolarHBondContact OH-OD1 3.28Å
161	Q	85.1	Confident	85.3	Confident	47 Å²	47	33.6 Å²	33.6	22%	0.22	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.4	176.1	-71.2	177.6	-24.7	0	0	109.8	S166 Y167	Q161-S166 WeakPolarHBondContact CA-O 3.02Å; Q161-Y167 HydrophobicContact CG-CD1 3.6Å; Q161-Y167 HydrophobicContact CG-CE1 3.58Å; Q161-Y167 HydrophobicContact CG-CG 4.27Å; Q161-Y167 PolarHBondContact NE2-OH 3.2Å
162	D	82.6	Confident	86.3	Confident	33 Å²	33	33.7 Å²	33.7	18%	0.176	17%	0.172	C	C	.	.			trans	-75.8	-179.9	167.2	73.8	1.9	0	0	0	111.7	F164 G165 S166 Y168	D162-F164 PolarHBondContact O-N 2.61Å; D162-F164 VanDerWaalsContact OD1-C 3.24Å; D162-F164 WeakPolarHBondContact OD1-CA 3.27Å; D162-F164 PolarHBondContact OD1-N 3.09Å; D162-G165 PolarHBondContact O-N 3.44Å; D162-G165 PolarHBondContact OD1-N 3.18Å; D162-S166 PolarHBondContact N-O 2.88Å; D162-S166 PolarHBondContact OD1-N 3.01Å; D162-Y168 HydrophobicContact CB-CD2 4.27Å; D162-Y168 HydrophobicContact CB-CE2 3.91Å; D162-Y168 WeakPolarHBondContact OD2-CE2 3.49Å
163	D	78.3	Confident	86.9	Confident	140 Å²	140	37 Å²	37	75%	0.749	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.6	178.1	-67.6	-36.7	0	0	0	113.8	K534	D163-K534 IonicContact OD1-NZ 2.66Å; D163-K534 PolarHBondContact OD1-NZ 3.34Å
164	F	79.9	Confident	87	Confident	189 Å²	189	37.1 Å²	37.1	83%	0.829	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	2.2	177.7	-54.5	-73.6	0	0	0	112.9	D162	D162-F164 PolarHBondContact O-N 2.61Å; D162-F164 VanDerWaalsContact OD1-C 3.24Å; D162-F164 WeakPolarHBondContact OD1-CA 3.27Å; D162-F164 PolarHBondContact OD1-N 3.09Å
165	G	80.1	Confident	87.2	Confident	40 Å²	40	39.8 Å²	39.8	41%	0.412	20%	0.201	S	C	.	.	S	Bend	trans	82.6	8.5	178	0	0	0	0	0	115.2	D162	D162-G165 PolarHBondContact O-N 3.44Å; D162-G165 PolarHBondContact OD1-N 3.18Å
166	S	85.3	Confident	87.3	Confident	37 Å²	37	39.8 Å²	39.8	26%	0.259	20%	0.201	S	C	.	.			trans	-80.3	139.2	173.7	-67.7	0	0	0	0	111.2	Q161 D162 Y168	Q161-S166 WeakPolarHBondContact CA-O 3.02Å; D162-S166 PolarHBondContact N-O 2.88Å; D162-S166 PolarHBondContact OD1-N 3.01Å; S166-Y168 WeakPolarHBondContact O-CD2 3.45Å
167	Y	87.9	Confident	87.3	Confident	21 Å²	21	43.8 Å²	43.8	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.3	-179.7	-61.4	-94.1	0	0	0	111.4	L51 P53 L84 F85 V159 Y160 Q161	L51-Y167 PolarHBondContact N-O 3.4Å; L51-Y167 WeakPolarHBondContact O-CB 3.5Å; P53-Y167 HydrophobicContact CG-CD2 4.22Å; P53-Y167 HydrophobicContact CG-CE2 4.04Å; L84-Y167 WeakPolarHBondContact O-CE1 3.02Å; F85-Y167 HydrophobicContact CD1-CD1 4.06Å; F85-Y167 AromaticContact CD1-CD2 3.92Å; F85-Y167 HydrophobicContact CD1-CD2 3.92Å; F85-Y167 AromaticContact CD1-CE1 3.82Å; F85-Y167 HydrophobicContact CD1-CE1 3.82Å; F85-Y167 AromaticContact CD1-CE2 3.72Å; F85-Y167 HydrophobicContact CD1-CE2 3.72Å; F85-Y167 HydrophobicContact CD1-CG 4.08Å; F85-Y167 AromaticContact CD1-CZ 3.63Å; F85-Y167 AromaticContact CE1-CD1 3.99Å; F85-Y167 HydrophobicContact CE1-CD1 3.99Å; F85-Y167 AromaticContact CE1-CD2 3.89Å; F85-Y167 HydrophobicContact CE1-CD2 3.89Å; F85-Y167 HydrophobicContact CE1-CE1 4.23Å; F85-Y167 HydrophobicContact CE1-CE2 4.18Å; F85-Y167 AromaticContact CE1-CG 3.78Å; F85-Y167 HydrophobicContact CE1-CG 3.78Å; V159-Y167 HydrophobicContact CG1-CD1 4Å; Y160-Y167 WeakPolarHBondContact O-CA 2.93Å; Q161-Y167 HydrophobicContact CG-CD1 3.6Å; Q161-Y167 HydrophobicContact CG-CE1 3.58Å; Q161-Y167 HydrophobicContact CG-CG 4.27Å; Q161-Y167 PolarHBondContact NE2-OH 3.2Å
168	Y	88.8	Confident	87.5	Confident	30 Å²	30	44.4 Å²	44.4	12%	0.118	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.7	176.7	-62.7	-87.3	0	0	0	111.8	Y49 Q50 V159 Y160 D162 S166	Y49-Y168 CarbonylContact O-C 3.57Å; Y49-Y168 VanDerWaalsContact O-CA 3.25Å; Y49-Y168 WeakPolarHBondContact O-CA 3.26Å; Q50-Y168 HydrophobicContact CB-CD1 4.07Å; Q50-Y168 HydrophobicContact CB-CE1 3.85Å; Q50-Y168 HydrophobicContact CG-CD1 4.34Å; Q50-Y168 HydrophobicContact CG-CE1 3.89Å; V159-Y168 WeakPolarHBondContact CA-O 3.4Å; Y160-Y168 WeakPolarHBondContact CD1-O 3.05Å; Y160-Y168 PolarHBondContact N-O 2.62Å; Y160-Y168 PolarHBondContact O-N 3.34Å; D162-Y168 HydrophobicContact CB-CD2 4.27Å; D162-Y168 HydrophobicContact CB-CE2 3.91Å; D162-Y168 WeakPolarHBondContact OD2-CE2 3.49Å; S166-Y168 WeakPolarHBondContact O-CD2 3.45Å
169	V	89.5	Confident	87.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.7	169.8	66.2	0	0	0	0	109.3	Y49 L51 F103 V130 F155 L158 V159	Y49-V169 PolarHBondContact N-O 2.82Å; Y49-V169 PolarHBondContact O-N 3.05Å; L51-V169 HydrophobicContact CD1-CB 4.04Å; L51-V169 HydrophobicContact CD1-CG1 4.01Å; L51-V169 HydrophobicContact CD2-CG1 4.06Å; L51-V169 HydrophobicContact CG-CG1 4.04Å; F103-V169 HydrophobicContact CE2-CG1 4.33Å; F103-V169 HydrophobicContact CZ-CG1 4.17Å; V130-V169 HydrophobicContact CG1-CG1 4.04Å; V130-V169 HydrophobicContact CG1-CG2 4.12Å; F155-V169 HydrophobicContact CE2-CG2 4.32Å; L158-V169 HydrophobicContact CB-CG2 4.08Å; V159-V169 HydrophobicContact CG2-CB 4.42Å
170	N	89.6	Confident	87.8	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	150.9	175.2	-72.6	46.2	0	0	0	110.7	T31 S45 E47 V130 Y160 T172	T31-N170 PolarHBondContact OG1-ND2 3.09Å; T31-N170 PolarHBondContact OG1-OD1 3.28Å; T31-N170 VanDerWaalsContact OG1-OD1 3.09Å; S45-N170 PolarHBondContact O-ND2 2.76Å; E47-N170 CarbonylContact O-C 3.54Å; E47-N170 WeakPolarHBondContact O-CA 3.22Å; V130-N170 WeakPolarHBondContact CG1-O 3.46Å; Y160-N170 VanDerWaalsContact CE1-OD1 3.3Å; Y160-N170 WeakPolarHBondContact CE1-OD1 2.91Å; Y160-N170 PolarHBondContact OH-OD1 3.28Å; N170-T172 PolarHBondContact O-N 2.66Å; N170-T172 PolarHBondContact O-OG1 3.02Å
171	K	89.8	Confident	88.1	Confident	68 Å²	68	47.5 Å²	47.5	30%	0.296	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	122.9	163.4	178.6	176.8	-171.8	175.9	0	108.3	S45 E47 Y49 V130	S45-K171 WeakPolarHBondContact CB-O 3.44Å; S45-K171 PolarHBondContact N-O 3.21Å; E47-K171 HydrophobicContact CB-CB 4.07Å; E47-K171 HydrophobicContact CB-CD 4.39Å; E47-K171 PolarHBondContact O-N 3.18Å; E47-K171 VanDerWaalsContact OE2-CD 3.23Å; E47-K171 WeakPolarHBondContact OE2-CD 3.36Å; E47-K171 IonicContact OE2-NZ 2.68Å; E47-K171 PolarHBondContact OE2-NZ 3.14Å; Y49-K171 HydrophobicContact CE2-CB 3.74Å; Y49-K171 HydrophobicContact CE2-CG 4.45Å; V130-K171 WeakPolarHBondContact O-CG 3.16Å
172	T	89.7	Confident	88.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	138.4	-176.3	-55.4	0	0	0	0	109.3	A32 V42 I43 V130 N170 I174	A32-T172 HydrophobicContact CB-CG2 4.14Å; V42-T172 HydrophobicContact CG1-CG2 3.95Å; I43-T172 WeakPolarHBondContact O-CA 3.43Å; V130-T172 PolarHBondContact N-O 2.85Å; N170-T172 PolarHBondContact O-N 2.66Å; N170-T172 PolarHBondContact O-OG1 3.02Å; T172-I174 HydrophobicContact CG2-CD1 4Å; T172-I174 HydrophobicContact CG2-CG1 3.66Å
173	E	91.8	Very high	89.1	Confident	72 Å²	72	43.8 Å²	43.8	34%	0.336	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.1	165.4	-62.6	-174.2	-174	0	0	109.4	I43 L128	I43-E173 HydrophobicContact CB-CB 4.26Å; I43-E173 PolarHBondContact N-O 3.4Å; I43-E173 PolarHBondContact O-N 2.87Å; I43-E173 VanDerWaalsContact O-N 3.08Å; L128-E173 WeakPolarHBondContact O-CA 3.26Å
174	I	90.1	Very high	90	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131	-179.2	-59.2	-177.1	0	0	0	108.4	P39 I41 V42 Y126 K127 L128 T154 L158 T172 D176	P39-I174 HydrophobicContact CB-CG2 3.58Å; P39-I174 HydrophobicContact CG-CD1 4.35Å; P39-I174 HydrophobicContact CG-CG2 3.9Å; I41-I174 WeakPolarHBondContact O-CA 3.47Å; V42-I174 HydrophobicContact CG1-CG1 4.37Å; V42-I174 HydrophobicContact CG2-CG1 4.44Å; Y126-I174 HydrophobicContact CE2-CG2 4.38Å; K127-I174 CarbonylContact C-O 3.37Å; K127-I174 VanDerWaalsContact CA-O 3.31Å; K127-I174 WeakPolarHBondContact CA-O 3.39Å; L128-I174 HydrophobicContact CB-CB 4.27Å; L128-I174 HydrophobicContact CD2-CD1 4.43Å; L128-I174 PolarHBondContact N-O 2.89Å; L128-I174 PolarHBondContact O-N 2.97Å; T154-I174 HydrophobicContact CG2-CD1 3.49Å; T154-I174 VanDerWaalsContact CG2-CD1 3.49Å; L158-I174 HydrophobicContact CD1-CD1 3.94Å; T172-I174 HydrophobicContact CG2-CD1 4Å; T172-I174 HydrophobicContact CG2-CG1 3.66Å; I174-D176 HydrophobicContact CG2-CB 4.03Å
175	E	91.1	Very high	90.9	Very high	56 Å²	56	28.1 Å²	28.1	26%	0.262	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	164.9	-178.7	175.5	174.3	0	0	107.9	I41 R125	I41-E175 HydrophobicContact CB-CB 4.28Å; I41-E175 HydrophobicContact CD1-CB 4.45Å; I41-E175 PolarHBondContact N-O 2.96Å; I41-E175 PolarHBondContact O-N 3.46Å; I41-E175 VanDerWaalsContact O-N 3.09Å; R125-E175 IonicContact CZ-OE1 3.46Å; R125-E175 IonicContact NE-OE1 3.5Å; R125-E175 IonicContact NH2-OE1 3.31Å; R125-E175 PolarHBondContact NH2-OE1 3.43Å
176	D	90.8	Very high	91.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.6	-167.3	-163.1	22.3	0	0	0	112.3	P39 Q40 R125 Y126 I174 W495	P39-D176 VanDerWaalsContact CA-OD1 3.29Å; P39-D176 WeakPolarHBondContact CA-OD1 3.4Å; P39-D176 HydrophobicContact CB-CB 3.99Å; Q40-D176 PolarHBondContact N-OD1 2.94Å; R125-D176 WeakPolarHBondContact CA-O 3.32Å; Y126-D176 HydrophobicContact CD1-CB 4.24Å; Y126-D176 HydrophobicContact CE1-CB 3.58Å; Y126-D176 WeakPolarHBondContact CE1-OD2 3.27Å; Y126-D176 HydrophobicContact CE2-CB 4.04Å; Y126-D176 VanDerWaalsContact CZ-CB 3.46Å; Y126-D176 VanDerWaalsContact CZ-OD2 3.31Å; Y126-D176 PolarHBondContact N-O 2.94Å; Y126-D176 PolarHBondContact O-N 2.82Å; Y126-D176 WeakPolarHBondContact OH-CB 2.9Å; Y126-D176 PolarHBondContact OH-OD2 3.05Å; I174-D176 HydrophobicContact CG2-CB 4.03Å; D176-W495 VanDerWaalsContact CG-NE1 3.31Å; D176-W495 PolarHBondContact OD1-NE1 3Å; D176-W495 VanDerWaalsContact OD2-CZ2 3.3Å; D176-W495 WeakPolarHBondContact OD2-CZ2 3.11Å; D176-W495 PolarHBondContact OD2-NE1 3.12Å
177	Y	90.4	Very high	92.3	Very high	93 Å²	93	24.5 Å²	24.5	37%	0.365	11%	0.112	S	C	.	.			trans	-162.6	150.2	178.9	53.5	-92.3	0	0	0	109.3	Q40	Q40-Y177 HydrophobicContact CB-CD1 4.39Å; Q40-Y177 HydrophobicContact CB-CE1 4.01Å; Q40-Y177 HydrophobicContact CG-CD1 4Å; Q40-Y177 HydrophobicContact CG-CD2 3.99Å; Q40-Y177 HydrophobicContact CG-CE1 3.89Å; Q40-Y177 HydrophobicContact CG-CE2 3.87Å; Q40-Y177 HydrophobicContact CG-CG 4.05Å; Q40-Y177 WeakPolarHBondContact CG-O 3.33Å; Q40-Y177 PolarHBondContact NE2-O 3.29Å
178	P	91.9	Very high	92.8	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.104	11%	0.109	C	C	.	.			trans	-72.5	143.6	179.7	30.5	-35.8	0	0	0	111.8	E124 F180 R183 W495	E124-P178 HydrophobicContact CB-CG 4.01Å; P178-F180 VanDerWaalsContact C-N 3.33Å; P178-R183 VanDerWaalsContact CB-NH1 3.29Å; P178-W495 HydrophobicContact CB-CD2 4.23Å; P178-W495 HydrophobicContact CB-CE3 3.82Å; P178-W495 HydrophobicContact CB-CH2 4.46Å; P178-W495 HydrophobicContact CB-CZ3 3.95Å; P178-W495 HydrophobicContact CG-CZ3 4.4Å
179	Q	91.9	Very high	93.1	Very high	67 Å²	67	22.2 Å²	22.2	31%	0.313	10%	0.103	S	C	.	.	S	Bend	trans	-66.3	-36.3	169.3	-176.5	66.4	28.1	0	0	111.8	W495	Q179-W495 WeakPolarHBondContact CB-O 3.39Å; Q179-W495 PolarHBondContact N-O 2.74Å
180	F	92.9	Very high	93.4	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.039	10%	0.103	C	C	.	.			trans	-130.5	140	179	-59.4	-82.3	0	0	0	111.9	P178 R183 P449 L450 V462 L494	P178-F180 VanDerWaalsContact C-N 3.33Å; F180-R183 PolarHBondContact O-NH1 3.26Å; F180-P449 HydrophobicContact CE2-CG 4.4Å; F180-P449 HydrophobicContact CZ-CB 4.02Å; F180-P449 HydrophobicContact CZ-CG 4.36Å; F180-L450 HydrophobicContact CE1-CD1 4.14Å; F180-L450 HydrophobicContact CE1-CD2 4.08Å; F180-L450 HydrophobicContact CE1-CG 4.09Å; F180-L450 HydrophobicContact CZ-CD1 3.97Å; F180-L450 HydrophobicContact CZ-CD2 4.33Å; F180-L450 HydrophobicContact CZ-CG 3.86Å; F180-V462 HydrophobicContact CE1-CG1 4.14Å; F180-L494 HydrophobicContact CD2-CD2 3.99Å; F180-L494 HydrophobicContact CE2-CD2 4.49Å; F180-L494 HydrophobicContact CG-CD2 4.46Å; F180-L494 PolarHBondContact N-O 2.87Å
181	N	91.6	Very high	93.7	Very high	69 Å²	69	23.5 Å²	23.5	37%	0.369	11%	0.108	S	C	.	.	S	Bend	trans	-78	-24.7	-178.4	-66	3.9	0	0	0	113	Q120 N212 I463	Q120-N181 PolarHBondContact O-ND2 2.96Å; N181-N212 PolarHBondContact O-ND2 2.71Å; N181-I463 PolarHBondContact N-O 2.9Å
182	Y	94.6	Very high	94.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.2	178.5	-170.6	-77.4	0	0	0	110.7	V213 L267 I425 I463 G464 G465 E466	Y182-V213 HydrophobicContact CD2-CG2 3.89Å; Y182-V213 HydrophobicContact CE1-CB 4.46Å; Y182-V213 HydrophobicContact CE2-CB 4.15Å; Y182-V213 HydrophobicContact CE2-CG1 3.83Å; Y182-V213 HydrophobicContact CE2-CG2 3.8Å; Y182-V213 HydrophobicContact CG-CG2 4.36Å; Y182-V213 WeakPolarHBondContact OH-CG1 3.31Å; Y182-L267 HydrophobicContact CE2-CD2 4.48Å; Y182-L267 WeakPolarHBondContact OH-CD2 3.17Å; Y182-I425 HydrophobicContact CD1-CD1 4.15Å; Y182-I425 HydrophobicContact CD1-CG1 4.09Å; Y182-I425 HydrophobicContact CD1-CG2 3.87Å; Y182-I425 HydrophobicContact CD2-CD1 3.9Å; Y182-I425 HydrophobicContact CD2-CG1 4.38Å; Y182-I425 HydrophobicContact CE1-CD1 3.92Å; Y182-I425 HydrophobicContact CE1-CG1 4.25Å; Y182-I425 HydrophobicContact CE1-CG2 3.69Å; Y182-I425 HydrophobicContact CE2-CD1 3.64Å; Y182-I425 HydrophobicContact CG-CD1 4.16Å; Y182-I425 HydrophobicContact CG-CG1 4.17Å; Y182-I463 WeakPolarHBondContact CB-O 3.36Å; Y182-I463 HydrophobicContact CD2-CD1 4.49Å; Y182-I463 PolarHBondContact N-O 2.79Å; Y182-G464 VanDerWaalsContact O-CA 3.28Å; Y182-G464 WeakPolarHBondContact O-CA 3.41Å; Y182-G465 PolarHBondContact O-N 2.68Å; Y182-E466 HydrophobicContact CE1-CB 4.27Å; Y182-E466 VanDerWaalsContact CE1-OE2 3.31Å; Y182-E466 WeakPolarHBondContact CE1-OE2 3.41Å; Y182-E466 PolarHBondContact OH-OE2 2.66Å
183	R	95.9	Very high	94.4	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	94.5	178.8	-52.2	-175.6	-62.1	-70.1	-6.3	108.5	E124 P178 F180 K210 F211 N212 V213 L494	E124-R183 IonicContact OE1-CZ 3.08Å; E124-R183 IonicContact OE1-NH1 3.75Å; E124-R183 PolarHBondContact OE1-NH1 2.77Å; E124-R183 IonicContact OE1-NH2 2.74Å; E124-R183 PolarHBondContact OE1-NH2 3.06Å; E124-R183 IonicContact OE2-CZ 3.03Å; E124-R183 IonicContact OE2-NH2 3.34Å; E124-R183 PolarHBondContact OE2-NH2 3.36Å; P178-R183 VanDerWaalsContact CB-NH1 3.29Å; F180-R183 PolarHBondContact O-NH1 3.26Å; R183-K210 PolarHBondContact NE-O 3.3Å; R183-K210 PolarHBondContact NH2-O 3.27Å; R183-K210 VanDerWaalsContact NH2-O 3.07Å; R183-F211 HydrophobicContact CB-CD1 3.95Å; R183-F211 WeakPolarHBondContact O-CD1 3.48Å; R183-N212 PolarHBondContact N-OD1 3.46Å; R183-N212 PolarHBondContact NH1-ND2 2.83Å; R183-N212 PolarHBondContact NH2-ND2 3.29Å; R183-N212 PolarHBondContact O-N 2.79Å; R183-N212 PolarHBondContact O-OD1 2.65Å; R183-V213 PolarHBondContact O-N 3.18Å; R183-L494 HydrophobicContact CB-CB 4.47Å; R183-L494 HydrophobicContact CB-CD1 4.27Å; R183-L494 HydrophobicContact CG-CB 3.8Å; R183-L494 HydrophobicContact CG-CD1 4.35Å
184	G	96.7	Very high	94.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	152.2	-170.6	0	0	0	0	0	114.8	F211 V213 G465 E466 V467	G184-F211 WeakPolarHBondContact O-CE1 3.44Å; G184-V213 CarbonylContact C-O 3.56Å; G184-V213 VanDerWaalsContact CA-O 3.26Å; G184-V213 WeakPolarHBondContact CA-O 3.45Å; G184-G465 PolarHBondContact N-O 3.22Å; G184-E466 WeakPolarHBondContact O-CA 3.29Å; G184-V467 PolarHBondContact O-N 3.48Å
185	I	97.9	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.3	154.6	-58.9	-170	0	0	0	108.1	L187 M206 F211 V213 H215 V467 L483 W484 A487	I185-L187 HydrophobicContact CG2-CD2 4.26Å; I185-L187 HydrophobicContact CG2-CG 4.48Å; I185-M206 HydrophobicContact CB-CE 4.2Å; I185-M206 HydrophobicContact CB-SD 4.31Å; I185-M206 HydrophobicContact CD1-CG 3.54Å; I185-M206 HydrophobicContact CD1-SD 4.25Å; I185-M206 HydrophobicContact CG1-CE 4.27Å; I185-M206 HydrophobicContact CG1-CG 4.23Å; I185-M206 HydrophobicContact CG1-SD 4.46Å; I185-F211 HydrophobicContact CD1-CD1 4.47Å; I185-F211 HydrophobicContact CD1-CD2 3.79Å; I185-F211 HydrophobicContact CD1-CE2 3.8Å; I185-F211 HydrophobicContact CD1-CG 4.13Å; I185-F211 HydrophobicContact CD1-CZ 4.19Å; I185-F211 HydrophobicContact CG1-CD1 3.88Å; I185-F211 HydrophobicContact CG1-CD2 4.11Å; I185-F211 HydrophobicContact CG1-CE1 3.95Å; I185-F211 HydrophobicContact CG1-CE2 4.13Å; I185-F211 HydrophobicContact CG1-CG 3.98Å; I185-F211 HydrophobicContact CG1-CZ 4.07Å; I185-V213 PolarHBondContact N-O 3.45Å; I185-H215 PolarHBondContact O-N 3.17Å; I185-V467 CarbonylContact C-O 3.58Å; I185-V467 WeakPolarHBondContact CA-O 3.23Å; I185-V467 HydrophobicContact CG1-CB 4.42Å; I185-L483 HydrophobicContact CD1-CD1 4.5Å; I185-L483 HydrophobicContact CD1-CD2 4.32Å; I185-L483 HydrophobicContact CG2-CD1 4.14Å; I185-L483 HydrophobicContact CG2-CD2 4.21Å; I185-W484 HydrophobicContact CD1-CH2 3.69Å; I185-W484 HydrophobicContact CD1-CZ2 3.75Å; I185-A487 HydrophobicContact CD1-CB 4.26Å
186	L	98.1	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	168.9	-161.1	146.6	0	0	0	109.7	D188 H215 H217 W386 E466 V467 C468 L469 W470	L186-D188 HydrophobicContact CD2-CB 4.43Å; L186-H215 VanDerWaalsContact CA-O 3.31Å; L186-H215 WeakPolarHBondContact CA-O 3.29Å; L186-H215 HydrophobicContact CB-CB 4.48Å; L186-H217 HydrophobicContact CD2-CB 3.93Å; L186-H217 HydrophobicContact CG-CB 4.32Å; L186-W386 HydrophobicContact CD1-CH2 3.79Å; L186-W386 HydrophobicContact CD1-CZ2 3.79Å; L186-E466 HydrophobicContact CB-CG 4.48Å; L186-E466 VanDerWaalsContact CB-OE1 3.24Å; L186-E466 WeakPolarHBondContact CB-OE1 3.37Å; L186-V467 PolarHBondContact N-O 3.15Å; L186-C468 HydrophobicContact CB-CB 4.39Å; L186-L469 PolarHBondContact O-N 3.13Å; L186-W470 HydrophobicContact CD1-CH2 4.09Å; L186-W470 HydrophobicContact CD1-CZ2 3.98Å; L186-W470 HydrophobicContact CD2-CD2 4.22Å; L186-W470 HydrophobicContact CD2-CE3 4.1Å; L186-W470 HydrophobicContact CD2-CH2 4.39Å; L186-W470 HydrophobicContact CD2-CZ2 4.47Å; L186-W470 HydrophobicContact CD2-CZ3 4.2Å
187	L	97.4	Very high	95.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.6	161.8	-62.8	-176.6	0	0	0	110.7	I185 L194 T202 F214 H215 H217 L469 L479 L483	I185-L187 HydrophobicContact CG2-CD2 4.26Å; I185-L187 HydrophobicContact CG2-CG 4.48Å; L187-L194 HydrophobicContact CB-CD1 4.35Å; L187-L194 HydrophobicContact CD1-CD1 4.24Å; L187-T202 HydrophobicContact CD1-CG2 4Å; L187-F214 HydrophobicContact CB-CE2 3.81Å; L187-F214 HydrophobicContact CB-CZ 4.34Å; L187-F214 HydrophobicContact CD1-CE2 3.61Å; L187-F214 HydrophobicContact CD1-CZ 4.14Å; L187-F214 HydrophobicContact CG-CE2 3.7Å; L187-H215 PolarHBondContact N-O 2.95Å; L187-H217 PolarHBondContact O-N 3.25Å; L187-L469 HydrophobicContact CD2-CB 4.45Å; L187-L469 HydrophobicContact CD2-CD2 4.4Å; L187-L479 HydrophobicContact CD2-CD1 3.78Å; L187-L483 HydrophobicContact CD2-CD2 4.39Å
188	D	97.3	Very high	95.7	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.3	170.1	176.9	-1.2	0	0	0	109.9	L186 S190 R191 H217 W470 G471	L186-D188 HydrophobicContact CD2-CB 4.43Å; D188-S190 PolarHBondContact OD1-N 2.95Å; D188-R191 PolarHBondContact OD1-N 3.09Å; D188-R191 WeakPolarHBondContact OD2-CB 3.36Å; D188-R191 WeakPolarHBondContact OD2-CD 3.42Å; D188-R191 VanDerWaalsContact OD2-CG 3.27Å; D188-R191 WeakPolarHBondContact OD2-CG 3.46Å; D188-R191 IonicContact OD2-CZ 2.75Å; D188-R191 IonicContact OD2-NE 3.21Å; D188-R191 IonicContact OD2-NH1 2.72Å; D188-R191 PolarHBondContact OD2-NH1 2.97Å; D188-H217 IonicContact OD1-CD2 2.83Å; D188-W470 HydrophobicContact CB-CE3 4.19Å; D188-G471 WeakPolarHBondContact OD2-CA 3.3Å; D188-G471 PolarHBondContact OD2-N 2.65Å
189	T	96.7	Very high	96	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.			trans	-111.5	9.1	177.6	56.7	0	0	0	0	113.2	H192 L194 I199 W216 H217 L218 Y247	T189-H192 CarbonylContact C-O 3.39Å; T189-H192 WeakPolarHBondContact CA-O 3.24Å; T189-L194 HydrophobicContact CG2-CB 3.98Å; T189-L194 HydrophobicContact CG2-CD1 3.88Å; T189-L194 HydrophobicContact CG2-CG 3.99Å; T189-I199 HydrophobicContact CG2-CD1 4.3Å; T189-W216 VanDerWaalsContact CG2-NE1 3.33Å; T189-W216 PolarHBondContact OG1-NE1 3.41Å; T189-H217 PolarHBondContact N-O 2.78Å; T189-H217 PolarHBondContact OG1-O 3.31Å; T189-L218 WeakPolarHBondContact OG1-CA 3.3Å; T189-Y247 WeakPolarHBondContact CB-OH 3.36Å; T189-Y247 HydrophobicContact CG2-CE2 4.34Å; T189-Y247 WeakPolarHBondContact CG2-OH 3.39Å
190	S	95.9	Very high	96.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-98	-47.8	178.8	178	0	0	0	0	112.2	D188 H192 D220 S223 F240	D188-S190 PolarHBondContact OD1-N 2.95Å; S190-H192 VanDerWaalsContact C-N 3.29Å; S190-H192 PolarHBondContact O-N 3.14Å; S190-D220 VanDerWaalsContact CB-CB 3.45Å; S190-D220 VanDerWaalsContact CB-N 3.28Å; S190-D220 VanDerWaalsContact OG-CA 3.29Å; S190-D220 WeakPolarHBondContact OG-CA 3.2Å; S190-D220 WeakPolarHBondContact OG-CB 3.46Å; S190-D220 PolarHBondContact OG-N 3.47Å; S190-S223 WeakPolarHBondContact CA-OG 3.44Å; S190-S223 WeakPolarHBondContact O-CB 3.47Å; S190-S223 PolarHBondContact O-OG 3.34Å; S190-S223 PolarHBondContact OG-N 3.31Å; S190-S223 PolarHBondContact OG-O 3.07Å; S190-F240 VanDerWaalsContact O-CE2 3.28Å; S190-F240 WeakPolarHBondContact O-CE2 3.46Å
191	R	95.8	Very high	96.3	Very high	34 Å²	34	24.9 Å²	24.9	13%	0.128	12%	0.123	C	C	.	.	S	Bend	trans	-63.2	-40	-179.4	-81.6	51.8	167.1	-68.7	7.2	111.2	D188 D220 P222 F240 G471 E472	D188-R191 PolarHBondContact OD1-N 3.09Å; D188-R191 WeakPolarHBondContact OD2-CB 3.36Å; D188-R191 WeakPolarHBondContact OD2-CD 3.42Å; D188-R191 VanDerWaalsContact OD2-CG 3.27Å; D188-R191 WeakPolarHBondContact OD2-CG 3.46Å; D188-R191 IonicContact OD2-CZ 2.75Å; D188-R191 IonicContact OD2-NE 3.21Å; D188-R191 IonicContact OD2-NH1 2.72Å; D188-R191 PolarHBondContact OD2-NH1 2.97Å; R191-D220 VanDerWaalsContact CZ-CG 3.5Å; R191-D220 IonicContact CZ-OD1 3.4Å; R191-D220 IonicContact CZ-OD2 3.4Å; R191-D220 IonicContact NE-OD1 3.79Å; R191-D220 PolarHBondContact NE-OD1 2.57Å; R191-D220 IonicContact NE-OD2 3.82Å; R191-D220 PolarHBondContact NE-OD2 2.96Å; R191-D220 VanDerWaalsContact NE-OD2 3.13Å; R191-D220 IonicContact NH2-OD1 3.76Å; R191-D220 PolarHBondContact NH2-OD1 3.43Å; R191-D220 IonicContact NH2-OD2 2.68Å; R191-D220 PolarHBondContact NH2-OD2 3.15Å; R191-P222 HydrophobicContact CB-CG 4.47Å; R191-P222 HydrophobicContact CG-CG 4.12Å; R191-F240 WeakPolarHBondContact O-CZ 3.26Å; R191-G471 VanDerWaalsContact CB-C 3.47Å; R191-E472 HydrophobicContact CG-CG 4.19Å; R191-E472 IonicContact CZ-OE1 2.76Å; R191-E472 IonicContact NH1-OE1 3.73Å; R191-E472 PolarHBondContact NH1-OE1 3.2Å; R191-E472 IonicContact NH1-OE2 3.13Å; R191-E472 IonicContact NH2-OE1 3.82Å
192	H	96.8	Very high	96.6	Very high	73 Å²	73	21.9 Å²	21.9	34%	0.338	11%	0.107	S	C	.	.	S	Bend	trans	-134.9	144.5	162.3	-67.7	89.2	0	0	0	109.8	T189 S190 G471 E472 D475	T189-H192 CarbonylContact C-O 3.39Å; T189-H192 WeakPolarHBondContact CA-O 3.24Å; S190-H192 VanDerWaalsContact C-N 3.29Å; S190-H192 PolarHBondContact O-N 3.14Å; H192-G471 PolarHBondContact CE1-O 2.86Å; H192-G471 PolarHBondContact ND1-O 3.33Å; H192-E472 PolarHBondContact CE1-O 3.47Å; H192-D475 HydrophobicContact CB-CB 3.86Å
193	Y	97.1	Very high	96.6	Very high	41 Å²	41	21.9 Å²	21.9	16%	0.161	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-72	132	174.2	174.4	-104	0	0	0	110.7	P195 P225 H245 Y247	Y193-P195 HydrophobicContact CE1-CG 4.42Å; Y193-P225 HydrophobicContact CD2-CB 4.37Å; Y193-H245 VanDerWaalsContact CB-CD2 3.47Å; Y193-H245 WeakPolarHBondContact CB-CD2 3.12Å; Y193-H245 HydrophobicContact CD1-CB 4.27Å; Y193-H245 AromaticContact CD1-CD2 3.67Å; Y193-H245 HydrophobicContact CD2-CB 4.08Å; Y193-H245 HydrophobicContact CG-CB 3.91Å; Y193-H245 AromaticContact CG-CD2 3.72Å; Y193-Y247 HydrophobicContact CD2-CE1 4.18Å; Y193-Y247 HydrophobicContact CD2-CE2 4.14Å; Y193-Y247 AromaticContact CD2-CZ 3.73Å; Y193-Y247 AromaticContact CE2-CD1 3.98Å; Y193-Y247 HydrophobicContact CE2-CD1 3.98Å; Y193-Y247 AromaticContact CE2-CE1 3.41Å; Y193-Y247 HydrophobicContact CE2-CE1 3.41Å; Y193-Y247 VanDerWaalsContact CE2-CE1 3.41Å; Y193-Y247 HydrophobicContact CE2-CE2 4.04Å; Y193-Y247 HydrophobicContact CE2-CG 4.49Å; Y193-Y247 AromaticContact CE2-CZ 3.44Å; Y193-Y247 VanDerWaalsContact CE2-CZ 3.44Å; Y193-Y247 AromaticContact CZ-CE1 4Å
194	L	97.3	Very high	96.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-103.4	123.3	171.9	-60.3	-176.6	0	0	0	110.3	L187 T189 V196 I199 Y247 L479	L187-L194 HydrophobicContact CB-CD1 4.35Å; L187-L194 HydrophobicContact CD1-CD1 4.24Å; T189-L194 HydrophobicContact CG2-CB 3.98Å; T189-L194 HydrophobicContact CG2-CD1 3.88Å; T189-L194 HydrophobicContact CG2-CG 3.99Å; L194-V196 PolarHBondContact O-N 2.89Å; L194-I199 HydrophobicContact CB-CD1 4.45Å; L194-I199 HydrophobicContact CB-CG1 4.16Å; L194-Y247 PolarHBondContact N-OH 3.47Å; L194-Y247 VanDerWaalsContact O-CE1 3.32Å; L194-Y247 WeakPolarHBondContact O-CE1 3.26Å; L194-Y247 PolarHBondContact O-OH 3.36Å; L194-L479 HydrophobicContact CD1-CD1 4.31Å; L194-L479 HydrophobicContact CD1-CD2 4.01Å; L194-L479 HydrophobicContact CD2-CD2 4.38Å
195	P	96.5	Very high	96.4	Very high	53 Å²	53	22.7 Å²	22.7	34%	0.344	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-56.8	142.8	172.9	-23.6	33.8	0	0	0	111.1	Y193 Q197 A198 I199 A476	Y193-P195 HydrophobicContact CE1-CG 4.42Å; P195-Q197 PolarHBondContact O-N 3.35Å; P195-A198 WeakPolarHBondContact O-CA 3.47Å; P195-A198 WeakPolarHBondContact O-CB 3.46Å; P195-A198 PolarHBondContact O-N 2.96Å; P195-I199 PolarHBondContact O-N 3.03Å; P195-A476 HydrophobicContact CG-CB 4.22Å
196	V	96.4	Very high	96.3	Very high	14 Å²	14	22.7 Å²	22.7	9%	0.085	11%	0.112	C	C	.	.	H	α-helix	trans	-50.9	-40.4	-179.8	178.2	0	0	0	0	111.5	L194 A198 I199 L200 Y247 D251 V255	L194-V196 PolarHBondContact O-N 2.89Å; V196-A198 VanDerWaalsContact C-N 3.29Å; V196-A198 PolarHBondContact O-N 3.17Å; V196-I199 WeakPolarHBondContact O-CB 3.39Å; V196-I199 PolarHBondContact O-N 3.08Å; V196-I199 VanDerWaalsContact O-N 3.11Å; V196-L200 HydrophobicContact CG1-CD1 4.33Å; V196-L200 HydrophobicContact CG1-CD2 4.46Å; V196-L200 HydrophobicContact CG1-CG 4.16Å; V196-L200 WeakPolarHBondContact O-CG 3.33Å; V196-L200 PolarHBondContact O-N 3.06Å; V196-Y247 HydrophobicContact CG2-CD1 4.2Å; V196-Y247 HydrophobicContact CG2-CE1 4.32Å; V196-D251 HydrophobicContact CG2-CB 3.83Å; V196-V255 HydrophobicContact CG1-CG2 4.07Å
197	Q	95.6	Very high	96	Very high	102 Å²	102	22.8 Å²	22.8	48%	0.477	11%	0.112	S	C	.	.	H	α-helix	trans	-60.7	-34.8	178.7	-170.9	59	43.8	0	0	113.4	P195 L200 K201	P195-Q197 PolarHBondContact O-N 3.35Å; Q197-L200 PolarHBondContact O-N 3.13Å; Q197-K201 WeakPolarHBondContact O-CG 3.37Å; Q197-K201 PolarHBondContact O-N 3.41Å
198	A	95.9	Very high	95.8	Very high	19 Å²	19	23.4 Å²	23.4	16%	0.157	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-42.5	175.2	0	0	0	0	0	110.7	P195 V196 L200 K201 T202 L479	P195-A198 WeakPolarHBondContact O-CA 3.47Å; P195-A198 WeakPolarHBondContact O-CB 3.46Å; P195-A198 PolarHBondContact O-N 2.96Å; V196-A198 VanDerWaalsContact C-N 3.29Å; V196-A198 PolarHBondContact O-N 3.17Å; A198-L200 PolarHBondContact O-N 2.97Å; A198-K201 PolarHBondContact O-N 2.89Å; A198-T202 PolarHBondContact O-N 3.08Å; A198-T202 PolarHBondContact O-OG1 2.73Å; A198-L479 HydrophobicContact CB-CD2 4.2Å
199	I	97.2	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-45.5	175	-56.6	174	0	0	0	110.6	T189 L194 P195 V196 K201 T202 L203 F214 W216 Y247 V255	T189-I199 HydrophobicContact CG2-CD1 4.3Å; L194-I199 HydrophobicContact CB-CD1 4.45Å; L194-I199 HydrophobicContact CB-CG1 4.16Å; P195-I199 PolarHBondContact O-N 3.03Å; V196-I199 WeakPolarHBondContact O-CB 3.39Å; V196-I199 PolarHBondContact O-N 3.08Å; V196-I199 VanDerWaalsContact O-N 3.11Å; I199-K201 VanDerWaalsContact C-N 3.35Å; I199-K201 PolarHBondContact O-N 3.18Å; I199-T202 WeakPolarHBondContact O-CB 3.49Å; I199-T202 PolarHBondContact O-N 2.74Å; I199-T202 VanDerWaalsContact O-N 3.13Å; I199-L203 WeakPolarHBondContact O-CG 3.32Å; I199-L203 PolarHBondContact O-N 3.25Å; I199-F214 HydrophobicContact CG2-CE1 3.77Å; I199-F214 HydrophobicContact CG2-CZ 3.73Å; I199-W216 HydrophobicContact CD1-CZ2 3.9Å; I199-Y247 HydrophobicContact CD1-CE1 3.95Å; I199-V255 HydrophobicContact CG2-CG1 4.11Å; I199-V255 HydrophobicContact CG2-CG2 4.35Å
200	L	96.6	Very high	95.4	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-41.7	177.7	-60.4	-172.3	0	0	0	112	V196 Q197 A198 T202 L203 D204 V255 Y258	V196-L200 HydrophobicContact CG1-CD1 4.33Å; V196-L200 HydrophobicContact CG1-CD2 4.46Å; V196-L200 HydrophobicContact CG1-CG 4.16Å; V196-L200 WeakPolarHBondContact O-CG 3.33Å; V196-L200 PolarHBondContact O-N 3.06Å; Q197-L200 PolarHBondContact O-N 3.13Å; A198-L200 PolarHBondContact O-N 2.97Å; L200-T202 VanDerWaalsContact C-N 3.32Å; L200-T202 PolarHBondContact O-N 2.68Å; L200-L203 HydrophobicContact CD2-CD1 4.24Å; L200-L203 WeakPolarHBondContact O-CB 3.41Å; L200-L203 PolarHBondContact O-N 3.37Å; L200-D204 PolarHBondContact O-N 3.45Å; L200-V255 HydrophobicContact CD2-CG2 4.2Å; L200-Y258 HydrophobicContact CB-CD1 4.22Å; L200-Y258 HydrophobicContact CB-CE1 3.91Å; L200-Y258 HydrophobicContact CD1-CD2 4.44Å; L200-Y258 HydrophobicContact CD1-CE2 4.49Å; L200-Y258 HydrophobicContact CD2-CD1 3.73Å; L200-Y258 HydrophobicContact CD2-CD2 4.28Å; L200-Y258 HydrophobicContact CD2-CE1 4.3Å; L200-Y258 HydrophobicContact CD2-CG 3.68Å; L200-Y258 HydrophobicContact CG-CD1 4.45Å; L200-Y258 WeakPolarHBondContact O-CE1 3.48Å
201	K	95.5	Very high	95.3	Very high	105 Å²	105	23.3 Å²	23.3	46%	0.457	11%	0.114	S	C	.	.	H	α-helix	trans	-63	-38.2	174.1	-76	-174.1	177.2	-169.6	0	112	Q197 A198 I199 D204 A205 I523	Q197-K201 WeakPolarHBondContact O-CG 3.37Å; Q197-K201 PolarHBondContact O-N 3.41Å; A198-K201 PolarHBondContact O-N 2.89Å; I199-K201 VanDerWaalsContact C-N 3.35Å; I199-K201 PolarHBondContact O-N 3.18Å; K201-D204 WeakPolarHBondContact O-CB 3.28Å; K201-D204 PolarHBondContact O-N 2.86Å; K201-A205 PolarHBondContact O-N 3.4Å; K201-A205 VanDerWaalsContact O-N 3.1Å; K201-I523 HydrophobicContact CB-CD1 4.47Å
202	T	96.6	Very high	95.2	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-40.9	173.9	-59.2	0	0	0	0	111.4	L187 A198 I199 L200 D204 A205 M206 L483	L187-T202 HydrophobicContact CD1-CG2 4Å; A198-T202 PolarHBondContact O-N 3.08Å; A198-T202 PolarHBondContact O-OG1 2.73Å; I199-T202 WeakPolarHBondContact O-CB 3.49Å; I199-T202 PolarHBondContact O-N 2.74Å; I199-T202 VanDerWaalsContact O-N 3.13Å; L200-T202 VanDerWaalsContact C-N 3.32Å; L200-T202 PolarHBondContact O-N 2.68Å; T202-D204 VanDerWaalsContact C-N 3.28Å; T202-D204 PolarHBondContact O-N 2.91Å; T202-A205 PolarHBondContact O-N 2.77Å; T202-A205 VanDerWaalsContact O-N 3.16Å; T202-M206 HydrophobicContact CG2-CG 4.27Å; T202-M206 HydrophobicContact CG2-SD 4.15Å; T202-M206 WeakPolarHBondContact O-CB 3.44Å; T202-M206 VanDerWaalsContact O-CG 3.26Å; T202-M206 WeakPolarHBondContact O-CG 3.44Å; T202-M206 PolarHBondContact O-N 3.03Å; T202-L483 HydrophobicContact CG2-CD2 3.66Å
203	L	95.9	Very high	95.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-34	174.7	-67.8	172.6	0	0	0	112.7	I199 L200 M206 A207 F214 V255 Y258 A259 I264	I199-L203 WeakPolarHBondContact O-CG 3.32Å; I199-L203 PolarHBondContact O-N 3.25Å; L200-L203 HydrophobicContact CD2-CD1 4.24Å; L200-L203 WeakPolarHBondContact O-CB 3.41Å; L200-L203 PolarHBondContact O-N 3.37Å; L203-M206 HydrophobicContact CD2-SD 3.96Å; L203-A207 PolarHBondContact O-N 3Å; L203-A207 VanDerWaalsContact O-N 3.08Å; L203-F214 HydrophobicContact CD2-CB 3.91Å; L203-F214 HydrophobicContact CD2-CD1 4.17Å; L203-F214 HydrophobicContact CD2-CG 3.98Å; L203-V255 HydrophobicContact CD1-CG1 4.15Å; L203-Y258 HydrophobicContact CB-CD1 4.06Å; L203-Y258 HydrophobicContact CB-CE1 4.25Å; L203-Y258 HydrophobicContact CD1-CD1 3.9Å; L203-A259 HydrophobicContact CD1-CB 3.99Å; L203-A259 HydrophobicContact CD2-CB 4.09Å; L203-I264 HydrophobicContact CB-CD1 4.32Å; L203-I264 HydrophobicContact CD2-CB 4.48Å; L203-I264 HydrophobicContact CD2-CD1 3.99Å; L203-I264 HydrophobicContact CD2-CG2 3.92Å; L203-I264 VanDerWaalsContact O-CD1 3.32Å; L203-I264 WeakPolarHBondContact O-CD1 3.32Å
204	D	94	Very high	95.2	Very high	19 Å²	19	16.8 Å²	16.8	10%	0.102	9%	0.087	C	C	.	.	H	α-helix	trans	-63.1	-50.1	171.2	-74.6	-49.8	0	0	0	111.5	L200 K201 T202 M206 A207 Y208 Y258 R262	L200-D204 PolarHBondContact O-N 3.45Å; K201-D204 WeakPolarHBondContact O-CB 3.28Å; K201-D204 PolarHBondContact O-N 2.86Å; T202-D204 VanDerWaalsContact C-N 3.28Å; T202-D204 PolarHBondContact O-N 2.91Å; D204-M206 VanDerWaalsContact C-N 3.32Å; D204-M206 PolarHBondContact O-N 3.09Å; D204-A207 WeakPolarHBondContact O-CB 3.36Å; D204-A207 PolarHBondContact O-N 3.02Å; D204-A207 VanDerWaalsContact O-N 3.13Å; D204-Y208 HydrophobicContact CB-CE2 4.18Å; D204-Y208 WeakPolarHBondContact O-CD1 3.44Å; D204-Y208 WeakPolarHBondContact O-CD2 3.32Å; D204-Y208 VanDerWaalsContact O-CG 3.24Å; D204-Y208 PolarHBondContact O-N 3.34Å; D204-Y258 PolarHBondContact OD1-OH 3.06Å; D204-Y258 PolarHBondContact OD2-OH 3.4Å; D204-R262 IonicContact OD1-CZ 3.54Å; D204-R262 IonicContact OD1-NE 2.66Å; D204-R262 PolarHBondContact OD1-NE 3.08Å; D204-R262 IonicContact OD1-NH2 3.05Å; D204-R262 PolarHBondContact OD1-NH2 3.36Å
205	A	94.7	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-34.5	178.9	0	0	0	0	0	113.1	K201 T202 A207 Y208 S209 W484 I523	K201-A205 PolarHBondContact O-N 3.4Å; K201-A205 VanDerWaalsContact O-N 3.1Å; T202-A205 PolarHBondContact O-N 2.77Å; T202-A205 VanDerWaalsContact O-N 3.16Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-Y208 PolarHBondContact O-N 3.13Å; A205-S209 PolarHBondContact O-N 2.78Å; A205-S209 PolarHBondContact O-OG 3.32Å; A205-W484 HydrophobicContact CB-CD2 3.92Å; A205-W484 HydrophobicContact CB-CG 4.36Å; A205-W484 HydrophobicContact CB-CH2 4.2Å; A205-W484 HydrophobicContact CB-CZ2 3.43Å; A205-W484 VanDerWaalsContact CB-CZ2 3.43Å; A205-I523 HydrophobicContact CB-CD1 4.07Å; A205-I523 HydrophobicContact CB-CG1 4.11Å; A205-I523 HydrophobicContact CB-CG2 4.06Å
206	M	95.1	Very high	95.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.2	-43.7	170.9	-77.2	174.2	74.6	0	0	111.7	I185 T202 L203 D204 S209 K210 F211 V213 F214 I264 W484	I185-M206 HydrophobicContact CB-CE 4.2Å; I185-M206 HydrophobicContact CB-SD 4.31Å; I185-M206 HydrophobicContact CD1-CG 3.54Å; I185-M206 HydrophobicContact CD1-SD 4.25Å; I185-M206 HydrophobicContact CG1-CE 4.27Å; I185-M206 HydrophobicContact CG1-CG 4.23Å; I185-M206 HydrophobicContact CG1-SD 4.46Å; T202-M206 HydrophobicContact CG2-CG 4.27Å; T202-M206 HydrophobicContact CG2-SD 4.15Å; T202-M206 WeakPolarHBondContact O-CB 3.44Å; T202-M206 VanDerWaalsContact O-CG 3.26Å; T202-M206 WeakPolarHBondContact O-CG 3.44Å; T202-M206 PolarHBondContact O-N 3.03Å; L203-M206 HydrophobicContact CD2-SD 3.96Å; D204-M206 VanDerWaalsContact C-N 3.32Å; D204-M206 PolarHBondContact O-N 3.09Å; M206-S209 CarbonylContact O-C 3.6Å; M206-S209 PolarHBondContact O-N 2.75Å; M206-K210 PolarHBondContact O-N 3.4Å; M206-F211 HydrophobicContact CB-CB 3.96Å; M206-F211 HydrophobicContact CE-CB 3.97Å; M206-F211 HydrophobicContact CG-CB 4.16Å; M206-F211 PolarHBondContact O-N 2.74Å; M206-V213 WeakPolarHBondContact CE-O 3.5Å; M206-F214 HydrophobicContact CE-CB 3.92Å; M206-F214 HydrophobicContact SD-CB 4.38Å; M206-F214 HydrophobicContact SD-CD2 4.34Å; M206-I264 HydrophobicContact CB-CD1 3.73Å; M206-I264 HydrophobicContact CE-CG2 3.93Å; M206-W484 HydrophobicContact CG-CH2 4.39Å; M206-W484 HydrophobicContact CG-CZ2 4.14Å
207	A	92.1	Very high	95.4	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.017	7%	0.066	C	C	.	.	H	α-helix	trans	-64.2	-41.5	177.6	0	0	0	0	0	111.6	L203 D204 A205 S209 K210 R262 I264	L203-A207 PolarHBondContact O-N 3Å; L203-A207 VanDerWaalsContact O-N 3.08Å; D204-A207 WeakPolarHBondContact O-CB 3.36Å; D204-A207 PolarHBondContact O-N 3.02Å; D204-A207 VanDerWaalsContact O-N 3.13Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A207-S209 VanDerWaalsContact C-N 3.31Å; A207-S209 PolarHBondContact O-N 3.34Å; A207-K210 PolarHBondContact O-N 3Å; A207-R262 HydrophobicContact CB-CB 4.03Å; A207-R262 HydrophobicContact CB-CG 4.07Å; A207-I264 HydrophobicContact CB-CD1 4.44Å
208	Y	92.4	Very high	95.3	Very high	14 Å²	14	8.6 Å²	8.6	6%	0.055	4%	0.043	C	C	.	.	H	α-helix	trans	-63.1	-37.6	176.6	-54.8	-29.1	0	0	0	112.3	I83 E153 D204 A205 L518 R521 I523	I83-Y208 HydrophobicContact CD1-CE1 3.78Å; E153-Y208 VanDerWaalsContact OE2-CD1 3.28Å; E153-Y208 WeakPolarHBondContact OE2-CD1 3.44Å; D204-Y208 HydrophobicContact CB-CE2 4.18Å; D204-Y208 WeakPolarHBondContact O-CD1 3.44Å; D204-Y208 WeakPolarHBondContact O-CD2 3.32Å; D204-Y208 VanDerWaalsContact O-CG 3.24Å; D204-Y208 PolarHBondContact O-N 3.34Å; A205-Y208 PolarHBondContact O-N 3.13Å; Y208-L518 HydrophobicContact CD2-CD2 3.7Å; Y208-L518 HydrophobicContact CG-CD2 4.35Å; Y208-R521 HydrophobicContact CE2-CB 3.93Å; Y208-R521 HydrophobicContact CE2-CG 4.39Å; Y208-I523 HydrophobicContact CD2-CG1 4.46Å; Y208-I523 HydrophobicContact CE2-CG1 4.18Å
209	S	92.8	Very high	95.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5.3	178.8	-57.7	0	0	0	0	114.1	A205 M206 A207 F211 W484 S488 A491 F514	A205-S209 PolarHBondContact O-N 2.78Å; A205-S209 PolarHBondContact O-OG 3.32Å; M206-S209 CarbonylContact O-C 3.6Å; M206-S209 PolarHBondContact O-N 2.75Å; A207-S209 VanDerWaalsContact C-N 3.31Å; A207-S209 PolarHBondContact O-N 3.34Å; S209-F211 VanDerWaalsContact C-N 3.33Å; S209-F211 PolarHBondContact O-N 2.92Å; S209-W484 WeakPolarHBondContact OG-CZ3 3.44Å; S209-S488 PolarHBondContact OG-OG 3.39Å; S209-A491 VanDerWaalsContact O-CB 3.26Å; S209-A491 WeakPolarHBondContact O-CB 3.4Å; S209-F514 WeakPolarHBondContact OG-CE1 3.42Å
210	K	92.5	Very high	95.3	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	23.1	178.4	-34.8	-165.4	153.3	84.4	0	116.1	P37 R147 T150 T154 R183 M206 A207 W495	P37-K210 HydrophobicContact CB-CD 4.4Å; P37-K210 HydrophobicContact CG-CB 4.44Å; P37-K210 HydrophobicContact CG-CD 4.05Å; P37-K210 HydrophobicContact CG-CG 4Å; P37-K210 PolarHBondContact O-NZ 3.32Å; R147-K210 PolarHBondContact NH2-O 2.81Å; T150-K210 VanDerWaalsContact CB-CE 3.49Å; T150-K210 HydrophobicContact CG2-CB 3.58Å; T150-K210 HydrophobicContact CG2-CD 3.29Å; T150-K210 VanDerWaalsContact CG2-CE 3.43Å; T150-K210 HydrophobicContact CG2-CG 3.34Å; T154-K210 PolarHBondContact OG1-NZ 3.26Å; R183-K210 PolarHBondContact NE-O 3.3Å; R183-K210 PolarHBondContact NH2-O 3.27Å; R183-K210 VanDerWaalsContact NH2-O 3.07Å; M206-K210 PolarHBondContact O-N 3.4Å; A207-K210 PolarHBondContact O-N 3Å; K210-W495 HydrophobicContact CB-CD2 4.15Å; K210-W495 HydrophobicContact CB-CE3 3.59Å; K210-W495 HydrophobicContact CB-CZ3 3.88Å; K210-W495 HydrophobicContact CD-CD2 3.59Å; K210-W495 HydrophobicContact CD-CE3 3.83Å; K210-W495 HydrophobicContact CD-CG 4.15Å; K210-W495 HydrophobicContact CD-CH2 4.12Å; K210-W495 HydrophobicContact CD-CZ2 3.88Å; K210-W495 HydrophobicContact CD-CZ3 4.08Å; K210-W495 HydrophobicContact CG-CD2 4.49Å; K210-W495 HydrophobicContact CG-CE3 4.35Å
211	F	94.6	Very high	95.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.			trans	-66.3	156.7	165.6	-74.8	-79.3	0	0	0	110.6	R147 R183 G184 I185 M206 S209 V467 W484 A487 A491 L494	R147-F211 PolarHBondContact NH2-O 3.07Å; R183-F211 HydrophobicContact CB-CD1 3.95Å; R183-F211 WeakPolarHBondContact O-CD1 3.48Å; G184-F211 WeakPolarHBondContact O-CE1 3.44Å; I185-F211 HydrophobicContact CD1-CD1 4.47Å; I185-F211 HydrophobicContact CD1-CD2 3.79Å; I185-F211 HydrophobicContact CD1-CE2 3.8Å; I185-F211 HydrophobicContact CD1-CG 4.13Å; I185-F211 HydrophobicContact CD1-CZ 4.19Å; I185-F211 HydrophobicContact CG1-CD1 3.88Å; I185-F211 HydrophobicContact CG1-CD2 4.11Å; I185-F211 HydrophobicContact CG1-CE1 3.95Å; I185-F211 HydrophobicContact CG1-CE2 4.13Å; I185-F211 HydrophobicContact CG1-CG 3.98Å; I185-F211 HydrophobicContact CG1-CZ 4.07Å; M206-F211 HydrophobicContact CB-CB 3.96Å; M206-F211 HydrophobicContact CE-CB 3.97Å; M206-F211 HydrophobicContact CG-CB 4.16Å; M206-F211 PolarHBondContact O-N 2.74Å; S209-F211 VanDerWaalsContact C-N 3.33Å; S209-F211 PolarHBondContact O-N 2.92Å; F211-V467 HydrophobicContact CE1-CG2 4.07Å; F211-V467 HydrophobicContact CZ-CG2 3.85Å; F211-W484 AromaticContact CD2-CH2 3.94Å; F211-W484 HydrophobicContact CD2-CH2 3.94Å; F211-W484 HydrophobicContact CD2-CZ3 4.49Å; F211-W484 AromaticContact CE2-CH2 3.91Å; F211-W484 HydrophobicContact CE2-CH2 3.91Å; F211-W484 HydrophobicContact CE2-CZ3 4.13Å; F211-A487 HydrophobicContact CE2-CB 4.26Å; F211-A487 HydrophobicContact CZ-CB 4.42Å; F211-A487 WeakPolarHBondContact CZ-O 3.42Å; F211-A491 HydrophobicContact CD2-CB 4.01Å; F211-A491 HydrophobicContact CE1-CB 4.35Å; F211-A491 HydrophobicContact CE2-CB 3.38Å; F211-A491 HydrophobicContact CZ-CB 3.57Å; F211-L494 HydrophobicContact CE1-CD1 4.4Å
212	N	93.5	Very high	94.9	Very high	10 Å²	10	6.8 Å²	6.8	5%	0.053	4%	0.038	C	C	.	.			trans	-138.3	-6	-178.9	67.7	-6.5	0	0	0	114.6	E124 N181 R183 I264 R265	E124-N212 PolarHBondContact OE1-ND2 3.18Å; N181-N212 PolarHBondContact O-ND2 2.71Å; R183-N212 PolarHBondContact N-OD1 3.46Å; R183-N212 PolarHBondContact NH1-ND2 2.83Å; R183-N212 PolarHBondContact NH2-ND2 3.29Å; R183-N212 PolarHBondContact O-N 2.79Å; R183-N212 PolarHBondContact O-OD1 2.65Å; N212-I264 CarbonylContact O-C 3.54Å; N212-I264 WeakPolarHBondContact O-CA 3.45Å; N212-R265 WeakPolarHBondContact O-CB 3.4Å; N212-R265 PolarHBondContact O-N 3.26Å
213	V	96.4	Very high	94.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.3	174.1	-177.3	0	0	0	0	109.2	Y182 R183 G184 I185 M206 R265 L267	Y182-V213 HydrophobicContact CD2-CG2 3.89Å; Y182-V213 HydrophobicContact CE1-CB 4.46Å; Y182-V213 HydrophobicContact CE2-CB 4.15Å; Y182-V213 HydrophobicContact CE2-CG1 3.83Å; Y182-V213 HydrophobicContact CE2-CG2 3.8Å; Y182-V213 HydrophobicContact CG-CG2 4.36Å; Y182-V213 WeakPolarHBondContact OH-CG1 3.31Å; R183-V213 PolarHBondContact O-N 3.18Å; G184-V213 CarbonylContact C-O 3.56Å; G184-V213 VanDerWaalsContact CA-O 3.26Å; G184-V213 WeakPolarHBondContact CA-O 3.45Å; I185-V213 PolarHBondContact N-O 3.45Å; M206-V213 WeakPolarHBondContact CE-O 3.5Å; V213-R265 HydrophobicContact CG2-CB 4.31Å; V213-L267 HydrophobicContact CG1-CB 3.96Å; V213-L267 HydrophobicContact CG1-CD2 4.4Å
214	F	97.8	Very high	94.9	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	101.8	166.8	174.9	-132.3	0	0	0	107.2	L187 I199 L203 M206 W216 V255 I264 R265 V266 L267	L187-F214 HydrophobicContact CB-CE2 3.81Å; L187-F214 HydrophobicContact CB-CZ 4.34Å; L187-F214 HydrophobicContact CD1-CE2 3.61Å; L187-F214 HydrophobicContact CD1-CZ 4.14Å; L187-F214 HydrophobicContact CG-CE2 3.7Å; I199-F214 HydrophobicContact CG2-CE1 3.77Å; I199-F214 HydrophobicContact CG2-CZ 3.73Å; L203-F214 HydrophobicContact CD2-CB 3.91Å; L203-F214 HydrophobicContact CD2-CD1 4.17Å; L203-F214 HydrophobicContact CD2-CG 3.98Å; M206-F214 HydrophobicContact CE-CB 3.92Å; M206-F214 HydrophobicContact SD-CB 4.38Å; M206-F214 HydrophobicContact SD-CD2 4.34Å; F214-W216 HydrophobicContact CD1-CB 4.25Å; F214-W216 HydrophobicContact CE1-CB 3.71Å; F214-W216 AromaticContact CE1-CD2 3.7Å; F214-W216 HydrophobicContact CE1-CD2 3.7Å; F214-W216 AromaticContact CE1-CE3 3.8Å; F214-W216 HydrophobicContact CE1-CE3 3.8Å; F214-W216 AromaticContact CE1-CG 3.68Å; F214-W216 HydrophobicContact CE1-CG 3.68Å; F214-W216 HydrophobicContact CE2-CB 4.45Å; F214-W216 HydrophobicContact CZ-CB 3.82Å; F214-W216 HydrophobicContact CZ-CD2 4.03Å; F214-W216 AromaticContact CZ-CG 3.67Å; F214-W216 HydrophobicContact CZ-CG 3.67Å; F214-W216 PolarHBondContact O-N 3.08Å; F214-V255 HydrophobicContact CD1-CG1 4.35Å; F214-V255 HydrophobicContact CE1-CG1 4.07Å; F214-I264 HydrophobicContact CB-CG2 3.81Å; F214-R265 PolarHBondContact N-O 3.48Å; F214-V266 HydrophobicContact CD1-CG1 4.05Å; F214-V266 HydrophobicContact CD1-CG2 4.25Å; F214-L267 PolarHBondContact O-N 3.32Å
215	H	98.3	Very high	95	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.2	173.3	-174.7	-175.9	0	0	0	107.8	I185 L186 L187 L267 E269 H331 E466	I185-H215 PolarHBondContact O-N 3.17Å; L186-H215 VanDerWaalsContact CA-O 3.31Å; L186-H215 WeakPolarHBondContact CA-O 3.29Å; L186-H215 HydrophobicContact CB-CB 4.48Å; L187-H215 PolarHBondContact N-O 2.95Å; H215-L267 HydrophobicContact CB-CD2 4.36Å; H215-E269 IonicContact CE1-OE2 3.38Å; H215-E269 PolarHBondContact CE1-OE2 3.02Å; H215-E269 WeakPolarHBondContact NE2-CB 3.32Å; H215-E269 IonicContact NE2-OE2 2.79Å; H215-E269 PolarHBondContact NE2-OE2 3.4Å; H215-E269 VanDerWaalsContact NE2-OE2 3.11Å; H215-H331 AromaticContact CE1-CD2 3.44Å; H215-H331 PolarHBondContact CE1-CD2 3.04Å; H215-H331 VanDerWaalsContact CE1-CD2 3.44Å; H215-H331 AromaticContact CE1-CG 3.6Å; H215-H331 AromaticContact CE1-NE2 3.99Å; H215-H331 WeakPolarHBondContact NE2-CB 3.16Å; H215-H331 AromaticContact NE2-CD2 3.65Å; H215-H331 AromaticContact NE2-CG 3.37Å; H215-E466 WeakPolarHBondContact CB-OE1 3.3Å; H215-E466 WeakPolarHBondContact CB-OE2 3.22Å; H215-E466 IonicContact CE1-OE1 3.62Å; H215-E466 IonicContact CG-OE1 3.67Å; H215-E466 IonicContact CG-OE2 2.88Å; H215-E466 IonicContact ND1-OE1 2.83Å; H215-E466 PolarHBondContact ND1-OE1 3.4Å; H215-E466 IonicContact ND1-OE2 2.71Å
216	W	98.1	Very high	95.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.3	-175.2	-166.2	-2.7	0	0	0	109.3	T189 I199 F214 L218 Y247 V252 V255 V266 L267 E269 F325	T189-W216 VanDerWaalsContact CG2-NE1 3.33Å; T189-W216 PolarHBondContact OG1-NE1 3.41Å; I199-W216 HydrophobicContact CD1-CZ2 3.9Å; F214-W216 HydrophobicContact CD1-CB 4.25Å; F214-W216 HydrophobicContact CE1-CB 3.71Å; F214-W216 AromaticContact CE1-CD2 3.7Å; F214-W216 HydrophobicContact CE1-CD2 3.7Å; F214-W216 AromaticContact CE1-CE3 3.8Å; F214-W216 HydrophobicContact CE1-CE3 3.8Å; F214-W216 AromaticContact CE1-CG 3.68Å; F214-W216 HydrophobicContact CE1-CG 3.68Å; F214-W216 HydrophobicContact CE2-CB 4.45Å; F214-W216 HydrophobicContact CZ-CB 3.82Å; F214-W216 HydrophobicContact CZ-CD2 4.03Å; F214-W216 AromaticContact CZ-CG 3.67Å; F214-W216 HydrophobicContact CZ-CG 3.67Å; F214-W216 PolarHBondContact O-N 3.08Å; W216-L218 HydrophobicContact CB-CD1 4.18Å; W216-L218 HydrophobicContact CB-CG 4.35Å; W216-L218 HydrophobicContact CD2-CD1 4.22Å; W216-L218 HydrophobicContact CD2-CD2 3.74Å; W216-L218 HydrophobicContact CD2-CG 3.79Å; W216-L218 HydrophobicContact CE3-CD2 4.12Å; W216-L218 HydrophobicContact CE3-CG 4.48Å; W216-L218 HydrophobicContact CG-CD1 4.03Å; W216-L218 HydrophobicContact CG-CD2 4.22Å; W216-L218 HydrophobicContact CG-CG 3.71Å; W216-L218 HydrophobicContact CH2-CD2 4.19Å; W216-L218 HydrophobicContact CZ2-CD2 3.81Å; W216-L218 HydrophobicContact CZ3-CD2 4.33Å; W216-L218 VanDerWaalsContact O-CD1 3.28Å; W216-L218 WeakPolarHBondContact O-CD1 3.4Å; W216-L218 PolarHBondContact O-N 3.04Å; W216-L218 VanDerWaalsContact O-N 3.12Å; W216-Y247 HydrophobicContact CH2-CD1 4.39Å; W216-Y247 HydrophobicContact CH2-CG 4.29Å; W216-Y247 HydrophobicContact CZ2-CD1 4.01Å; W216-Y247 AromaticContact CZ2-CD2 3.8Å; W216-Y247 HydrophobicContact CZ2-CD2 3.8Å; W216-Y247 HydrophobicContact CZ2-CE1 4.09Å; W216-Y247 AromaticContact CZ2-CE2 3.88Å; W216-Y247 HydrophobicContact CZ2-CE2 3.88Å; W216-Y247 AromaticContact CZ2-CG 3.87Å; W216-Y247 HydrophobicContact CZ2-CG 3.87Å; W216-V252 HydrophobicContact CH2-CG2 4.22Å; W216-V252 HydrophobicContact CZ3-CG1 4.46Å; W216-V252 HydrophobicContact CZ3-CG2 4.43Å; W216-V255 HydrophobicContact CE3-CG1 4.22Å; W216-V255 HydrophobicContact CH2-CB 4.41Å; W216-V255 HydrophobicContact CH2-CG1 4.43Å; W216-V255 HydrophobicContact CH2-CG2 4.18Å; W216-V255 HydrophobicContact CZ3-CB 4.02Å; W216-V255 HydrophobicContact CZ3-CG1 3.79Å; W216-V255 HydrophobicContact CZ3-CG2 4.28Å; W216-V266 HydrophobicContact CE3-CG1 4.05Å; W216-L267 PolarHBondContact N-O 3.09Å; W216-E269 PolarHBondContact O-N 3.46Å; W216-F325 HydrophobicContact CE3-CE1 4.34Å
217	H	97.6	Very high	95.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	91.4	170.5	-170.8	96.8	0	0	0	108.9	L186 L187 D188 T189 V219 D220 E269 W470	L186-H217 HydrophobicContact CD2-CB 3.93Å; L186-H217 HydrophobicContact CG-CB 4.32Å; L187-H217 PolarHBondContact O-N 3.25Å; D188-H217 IonicContact OD1-CD2 2.83Å; T189-H217 PolarHBondContact N-O 2.78Å; T189-H217 PolarHBondContact OG1-O 3.31Å; H217-V219 PolarHBondContact NE2-O 3.03Å; H217-D220 IonicContact CE1-OD2 3.78Å; H217-D220 IonicContact NE2-OD2 3.96Å; H217-D220 PolarHBondContact NE2-OD2 2.95Å; H217-D220 VanDerWaalsContact NE2-OD2 3.13Å; H217-E269 IonicContact CE1-OE2 2.97Å; H217-E269 IonicContact CG-OE2 2.63Å; H217-E269 IonicContact ND1-OE1 3.63Å; H217-E269 IonicContact ND1-OE2 3.11Å; H217-E269 PolarHBondContact ND1-OE2 3.01Å; H217-W470 AromaticContact CE1-CZ3 3.74Å; H217-W470 AromaticContact CG-CZ3 3.93Å; H217-W470 AromaticContact ND1-CH2 3.98Å; H217-W470 AromaticContact ND1-CZ3 3.69Å; H217-W470 AromaticContact NE2-CZ3 4Å
218	L	94.7	Very high	95.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-35.9	-166.9	-76.4	122.8	0	0	0	113.1	T189 W216 P225 Y226 P268 F270 F325	T189-L218 WeakPolarHBondContact OG1-CA 3.3Å; W216-L218 HydrophobicContact CB-CD1 4.18Å; W216-L218 HydrophobicContact CB-CG 4.35Å; W216-L218 HydrophobicContact CD2-CD1 4.22Å; W216-L218 HydrophobicContact CD2-CD2 3.74Å; W216-L218 HydrophobicContact CD2-CG 3.79Å; W216-L218 HydrophobicContact CE3-CD2 4.12Å; W216-L218 HydrophobicContact CE3-CG 4.48Å; W216-L218 HydrophobicContact CG-CD1 4.03Å; W216-L218 HydrophobicContact CG-CD2 4.22Å; W216-L218 HydrophobicContact CG-CG 3.71Å; W216-L218 HydrophobicContact CH2-CD2 4.19Å; W216-L218 HydrophobicContact CZ2-CD2 3.81Å; W216-L218 HydrophobicContact CZ3-CD2 4.33Å; W216-L218 VanDerWaalsContact O-CD1 3.28Å; W216-L218 WeakPolarHBondContact O-CD1 3.4Å; W216-L218 PolarHBondContact O-N 3.04Å; W216-L218 VanDerWaalsContact O-N 3.12Å; L218-P225 WeakPolarHBondContact O-CD 3.1Å; L218-P225 WeakPolarHBondContact O-CG 3.43Å; L218-Y226 HydrophobicContact CD2-CD2 4.13Å; L218-P268 HydrophobicContact CD1-CB 3.81Å; L218-F270 HydrophobicContact CD1-CE2 3.99Å; L218-F270 HydrophobicContact CD1-CZ 4.31Å; L218-F325 HydrophobicContact CD1-CZ 4.14Å
219	V	96	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.7	-165.9	-59.7	0	0	0	0	109.7	H217 F224 F270 W279	H217-V219 PolarHBondContact NE2-O 3.03Å; V219-F224 HydrophobicContact CB-CD2 3.77Å; V219-F224 HydrophobicContact CB-CE2 3.97Å; V219-F224 HydrophobicContact CB-CG 4.36Å; V219-F224 HydrophobicContact CG1-CB 4.49Å; V219-F224 HydrophobicContact CG1-CD1 4.08Å; V219-F224 HydrophobicContact CG1-CD2 3.57Å; V219-F224 HydrophobicContact CG1-CE1 4.16Å; V219-F224 HydrophobicContact CG1-CE2 3.66Å; V219-F224 HydrophobicContact CG1-CG 3.79Å; V219-F224 HydrophobicContact CG1-CZ 3.95Å; V219-F224 HydrophobicContact CG2-CD2 4.32Å; V219-F224 HydrophobicContact CG2-CE2 4.06Å; V219-F270 HydrophobicContact CG1-CE1 4.29Å; V219-F270 HydrophobicContact CG2-CD1 3.7Å; V219-F270 HydrophobicContact CG2-CE1 4.19Å; V219-F270 HydrophobicContact CG2-CG 4.41Å; V219-W279 HydrophobicContact CG2-CH2 4.48Å; V219-W279 HydrophobicContact CG2-CZ2 3.45Å; V219-W279 VanDerWaalsContact CG2-CZ2 3.45Å
220	D	95.8	Very high	95.3	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	9%	0.091	C	C	.	.			trans	-158.1	-171.6	-179.6	-162.3	-78.6	0	0	0	108.4	S190 R191 H217 S223 H275 S278	S190-D220 VanDerWaalsContact CB-CB 3.45Å; S190-D220 VanDerWaalsContact CB-N 3.28Å; S190-D220 VanDerWaalsContact OG-CA 3.29Å; S190-D220 WeakPolarHBondContact OG-CA 3.2Å; S190-D220 WeakPolarHBondContact OG-CB 3.46Å; S190-D220 PolarHBondContact OG-N 3.47Å; R191-D220 VanDerWaalsContact CZ-CG 3.5Å; R191-D220 IonicContact CZ-OD1 3.4Å; R191-D220 IonicContact CZ-OD2 3.4Å; R191-D220 IonicContact NE-OD1 3.79Å; R191-D220 PolarHBondContact NE-OD1 2.57Å; R191-D220 IonicContact NE-OD2 3.82Å; R191-D220 PolarHBondContact NE-OD2 2.96Å; R191-D220 VanDerWaalsContact NE-OD2 3.13Å; R191-D220 IonicContact NH2-OD1 3.76Å; R191-D220 PolarHBondContact NH2-OD1 3.43Å; R191-D220 IonicContact NH2-OD2 2.68Å; R191-D220 PolarHBondContact NH2-OD2 3.15Å; H217-D220 IonicContact CE1-OD2 3.78Å; H217-D220 IonicContact NE2-OD2 3.96Å; H217-D220 PolarHBondContact NE2-OD2 2.95Å; H217-D220 VanDerWaalsContact NE2-OD2 3.13Å; D220-S223 PolarHBondContact N-O 2.9Å; D220-S223 VanDerWaalsContact O-O 3.06Å; D220-H275 CarbonylContact C-O 3.54Å; D220-H275 WeakPolarHBondContact CA-O 3.4Å; D220-H275 IonicContact OD1-CG 2.77Å; D220-H275 IonicContact OD1-ND1 3.15Å; D220-H275 PolarHBondContact OD1-ND1 3.49Å; D220-H275 WeakPolarHBondContact OD2-CB 3.24Å; D220-H275 IonicContact OD2-CE1 3.87Å; D220-H275 IonicContact OD2-CG 2.7Å; D220-H275 IonicContact OD2-ND1 3.57Å; D220-H275 PolarHBondContact OD2-ND1 2.6Å; D220-S278 VanDerWaalsContact O-CB 3.27Å; D220-S278 WeakPolarHBondContact O-CB 3.26Å; D220-S278 PolarHBondContact O-OG 3.14Å
221	D	92.1	Very high	95.4	Very high	38 Å²	38	20.5 Å²	20.5	20%	0.203	10%	0.1	C	C	.	.	S	Bend	trans	-46.5	-51.7	178.4	-90.6	-7.8	0	0	0	115.6	H275 T276 K277 S278	D221-H275 PolarHBondContact N-O 3.05Å; D221-H275 VanDerWaalsContact OD1-CA 3.3Å; D221-H275 WeakPolarHBondContact OD1-CA 3.27Å; D221-T276 PolarHBondContact OD1-N 3.13Å; D221-T276 VanDerWaalsContact OD1-N 3.07Å; D221-K277 HydrophobicContact CB-CB 4.12Å; D221-K277 HydrophobicContact CB-CD 4.17Å; D221-K277 HydrophobicContact CB-CG 4.43Å; D221-K277 WeakPolarHBondContact O-CB 3.09Å; D221-K277 WeakPolarHBondContact OD1-CB 3.47Å; D221-K277 VanDerWaalsContact OD1-CG 3.23Å; D221-K277 WeakPolarHBondContact OD1-CG 3.39Å; D221-K277 PolarHBondContact OD1-N 2.84Å; D221-K277 WeakPolarHBondContact OD2-CD 3.27Å; D221-K277 WeakPolarHBondContact OD2-CE 3.49Å; D221-K277 IonicContact OD2-NZ 3.77Å; D221-K277 PolarHBondContact OD2-NZ 3.47Å; D221-S278 WeakPolarHBondContact O-CB 3.39Å; D221-S278 PolarHBondContact O-N 2.83Å
222	P	92.9	Very high	95.3	Very high	48 Å²	48	23.5 Å²	23.5	31%	0.312	12%	0.119	S	C	.	.	S	Bend	trans	-75.9	-36.2	-172.1	26.3	-32.3	0	0	0	113.2	R191 F240	R191-P222 HydrophobicContact CB-CG 4.47Å; R191-P222 HydrophobicContact CG-CG 4.12Å; P222-F240 HydrophobicContact CB-CZ 4.16Å
223	S	95.6	Very high	95.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.			trans	-146.6	154.6	-176.1	84.7	0	0	0	0	115.8	S190 D220 G238 S278	S190-S223 WeakPolarHBondContact CA-OG 3.44Å; S190-S223 WeakPolarHBondContact O-CB 3.47Å; S190-S223 PolarHBondContact O-OG 3.34Å; S190-S223 PolarHBondContact OG-N 3.31Å; S190-S223 PolarHBondContact OG-O 3.07Å; D220-S223 PolarHBondContact N-O 2.9Å; D220-S223 VanDerWaalsContact O-O 3.06Å; S223-G238 CarbonylContact C-O 3.59Å; S223-G238 VanDerWaalsContact CA-O 3.3Å; S223-G238 WeakPolarHBondContact CA-O 3.4Å; S223-S278 VanDerWaalsContact C-CB 3.42Å; S223-S278 PolarHBondContact O-OG 3.44Å
224	F	96.7	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.			trans	-123.9	80.7	173.5	-161	-77.5	0	0	0	109.7	V219 Y226 L234 S235 G238 A239 F270 W279	V219-F224 HydrophobicContact CB-CD2 3.77Å; V219-F224 HydrophobicContact CB-CE2 3.97Å; V219-F224 HydrophobicContact CB-CG 4.36Å; V219-F224 HydrophobicContact CG1-CB 4.49Å; V219-F224 HydrophobicContact CG1-CD1 4.08Å; V219-F224 HydrophobicContact CG1-CD2 3.57Å; V219-F224 HydrophobicContact CG1-CE1 4.16Å; V219-F224 HydrophobicContact CG1-CE2 3.66Å; V219-F224 HydrophobicContact CG1-CG 3.79Å; V219-F224 HydrophobicContact CG1-CZ 3.95Å; V219-F224 HydrophobicContact CG2-CD2 4.32Å; V219-F224 HydrophobicContact CG2-CE2 4.06Å; F224-Y226 WeakPolarHBondContact CD1-O 3.33Å; F224-Y226 HydrophobicContact CE1-CD1 4.08Å; F224-Y226 WeakPolarHBondContact CE1-O 3.36Å; F224-Y226 HydrophobicContact CZ-CD1 4.4Å; F224-L234 HydrophobicContact CD1-CB 3.65Å; F224-L234 HydrophobicContact CE1-CB 3.51Å; F224-L234 HydrophobicContact CE1-CD1 3.98Å; F224-L234 HydrophobicContact CE1-CG 4.34Å; F224-L234 HydrophobicContact CE2-CD1 4.37Å; F224-L234 HydrophobicContact CG-CB 4.24Å; F224-L234 HydrophobicContact CZ-CB 4Å; F224-L234 HydrophobicContact CZ-CD1 3.72Å; F224-L234 HydrophobicContact CZ-CG 4.37Å; F224-S235 WeakPolarHBondContact O-CA 3.26Å; F224-G238 PolarHBondContact N-O 2.91Å; F224-A239 PolarHBondContact O-N 2.96Å; F224-F270 HydrophobicContact CZ-CE1 4.25Å; F224-W279 AromaticContact CD2-CD1 3.7Å; F224-W279 HydrophobicContact CD2-CD2 4.07Å; F224-W279 AromaticContact CD2-CG 3.86Å; F224-W279 HydrophobicContact CD2-CG 3.86Å; F224-W279 AromaticContact CD2-NE1 3.86Å; F224-W279 AromaticContact CE2-CD2 3.63Å; F224-W279 HydrophobicContact CE2-CD2 3.63Å; F224-W279 AromaticContact CE2-CE2 3.72Å; F224-W279 HydrophobicContact CE2-CE3 4.09Å; F224-W279 AromaticContact CE2-CG 3.9Å; F224-W279 HydrophobicContact CE2-CG 3.9Å; F224-W279 HydrophobicContact CE2-CZ2 4.28Å; F224-W279 AromaticContact CE2-NE1 3.95Å
225	P	96.3	Very high	95	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.134	C	C	.	.			trans	-78.6	-19.1	-176.6	31	-37.8	0	0	0	113.7	Y193 L218 Q227 H245 I246 Y247	Y193-P225 HydrophobicContact CD2-CB 4.37Å; L218-P225 WeakPolarHBondContact O-CD 3.1Å; L218-P225 WeakPolarHBondContact O-CG 3.43Å; P225-Q227 PolarHBondContact O-N 2.78Å; P225-H245 WeakPolarHBondContact CB-O 3.43Å; P225-I246 CarbonylContact O-C 3.56Å; P225-I246 VanDerWaalsContact O-CA 3.32Å; P225-I246 WeakPolarHBondContact O-CA 3.42Å; P225-Y247 HydrophobicContact CB-CD2 3.73Å; P225-Y247 HydrophobicContact CB-CE2 3.82Å; P225-Y247 HydrophobicContact CG-CD2 3.89Å; P225-Y247 HydrophobicContact CG-CE2 3.76Å; P225-Y247 PolarHBondContact O-N 3.32Å
226	Y	96.7	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-66.3	120.2	-179.6	174.7	-103.2	0	0	0	111.9	L218 F224 S228 Q249 V252 F270 E320 F325	L218-Y226 HydrophobicContact CD2-CD2 4.13Å; F224-Y226 WeakPolarHBondContact CD1-O 3.33Å; F224-Y226 HydrophobicContact CE1-CD1 4.08Å; F224-Y226 WeakPolarHBondContact CE1-O 3.36Å; F224-Y226 HydrophobicContact CZ-CD1 4.4Å; Y226-S228 PolarHBondContact O-N 3.25Å; Y226-Q249 PolarHBondContact OH-NE2 2.89Å; Y226-V252 HydrophobicContact CD2-CG2 4.28Å; Y226-V252 HydrophobicContact CE2-CG2 4.25Å; Y226-F270 AromaticContact CD1-CE1 3.85Å; Y226-F270 HydrophobicContact CD1-CE1 3.85Å; Y226-F270 AromaticContact CD1-CZ 3.77Å; Y226-F270 HydrophobicContact CD1-CZ 3.77Å; Y226-F270 HydrophobicContact CD2-CZ 4.22Å; Y226-F270 HydrophobicContact CE1-CE1 4.36Å; Y226-F270 HydrophobicContact CE1-CZ 4.03Å; Y226-F270 HydrophobicContact CE2-CZ 4.44Å; Y226-F270 HydrophobicContact CG-CE1 4.16Å; Y226-F270 AromaticContact CG-CZ 3.87Å; Y226-F270 HydrophobicContact CG-CZ 3.87Å; Y226-E320 PolarHBondContact OH-OE1 3.01Å; Y226-F325 HydrophobicContact CE2-CE2 4.22Å
227	Q	95.6	Very high	94.6	Very high	62 Å²	62	35.2 Å²	35.2	29%	0.29	18%	0.176	S	C	.	.			trans	-82.3	101.3	177.4	-173	-177.8	46.4	0	0	111.1	P225 Y247 Q249	P225-Q227 PolarHBondContact O-N 2.78Å; Q227-Y247 VanDerWaalsContact CB-O 3.27Å; Q227-Y247 WeakPolarHBondContact CB-O 3.31Å; Q227-Y247 PolarHBondContact N-O 2.91Å; Q227-Y247 VanDerWaalsContact N-O 3.07Å; Q227-Q249 PolarHBondContact O-NE2 3.04Å
228	S	94.4	Very high	94.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	18%	0.176	C	C	.	.			trans	-77.2	138.3	173.2	179.2	0	0	0	0	111.9	Y226 K230 F231 E320	Y226-S228 PolarHBondContact O-N 3.25Å; S228-K230 PolarHBondContact OG-N 3.11Å; S228-F231 PolarHBondContact OG-N 3.32Å; S228-E320 WeakPolarHBondContact CA-OE1 3.49Å; S228-E320 WeakPolarHBondContact CB-OE1 3.44Å; S228-E320 VanDerWaalsContact OG-CD 3.26Å; S228-E320 PolarHBondContact OG-OE1 3.07Å; S228-E320 PolarHBondContact OG-OE2 2.83Å; S228-E320 VanDerWaalsContact OG-OE2 3.13Å
229	Q	93	Very high	94.3	Very high	126 Å²	126	35.9 Å²	35.9	59%	0.589	18%	0.182	S	C	*	.	S	Bend	trans	-75.1	-40.3	174.9	-66.8	-169.7	-7.4	0	0	111.9	Q249 E320	Q229-Q249 HydrophobicContact CG-CG 3.86Å; Q229-E320 PolarHBondContact N-OE1 3.07Å; Q229-E320 PolarHBondContact N-OE2 2.9Å
230	K	93.1	Very high	94.2	Very high	99 Å²	99	40.8 Å²	40.8	43%	0.43	20%	0.204	S	C	.	.	S	Bend	trans	-75.6	-33.6	178.2	-73.1	-178.7	-174.4	173.2	0	113.2	S228 P232 S316 E320	S228-K230 PolarHBondContact OG-N 3.11Å; K230-P232 VanDerWaalsContact C-CD 3.48Å; K230-P232 WeakPolarHBondContact O-CD 3.42Å; K230-S316 PolarHBondContact NZ-O 3.49Å; K230-E320 WeakPolarHBondContact CB-OE2 3.43Å; K230-E320 WeakPolarHBondContact CG-OE2 3.15Å; K230-E320 PolarHBondContact N-OE2 3.3Å
231	F	93.9	Very high	94.1	Very high	42 Å²	42	44.8 Å²	44.8	18%	0.184	22%	0.222	C	C	.	.			trans	-125.3	71.4	-177.4	-55.4	-73.4	0	0	0	111.6	S228 D233 L234 F313 L317	S228-F231 PolarHBondContact OG-N 3.32Å; F231-D233 PolarHBondContact O-N 3.27Å; F231-L234 HydrophobicContact CB-CD1 3.53Å; F231-L234 HydrophobicContact CB-CG 3.77Å; F231-L234 HydrophobicContact CD2-CD1 4.44Å; F231-L234 HydrophobicContact CG-CD1 4.27Å; F231-L234 WeakPolarHBondContact O-CB 3.41Å; F231-L234 PolarHBondContact O-N 2.86Å; F231-L234 VanDerWaalsContact O-N 3.16Å; F231-F313 HydrophobicContact CD1-CD2 4.12Å; F231-F313 AromaticContact CD1-CE2 3.96Å; F231-F313 HydrophobicContact CD1-CE2 3.96Å; F231-F313 HydrophobicContact CD2-CD2 4.21Å; F231-F313 AromaticContact CD2-CE2 3.79Å; F231-F313 HydrophobicContact CD2-CE2 3.79Å; F231-F313 AromaticContact CE1-CD2 3.74Å; F231-F313 HydrophobicContact CE1-CD2 3.74Å; F231-F313 HydrophobicContact CE1-CE2 4.05Å; F231-F313 AromaticContact CE2-CD2 3.83Å; F231-F313 HydrophobicContact CE2-CD2 3.83Å; F231-F313 AromaticContact CE2-CE2 3.87Å; F231-F313 HydrophobicContact CE2-CE2 3.87Å; F231-F313 HydrophobicContact CG-CD2 4.35Å; F231-F313 AromaticContact CG-CE2 3.83Å; F231-F313 HydrophobicContact CG-CE2 3.83Å; F231-F313 AromaticContact CZ-CD2 3.58Å; F231-F313 HydrophobicContact CZ-CD2 3.58Å; F231-F313 HydrophobicContact CZ-CE2 4.01Å; F231-L317 HydrophobicContact CD2-CD1 4.45Å; F231-L317 HydrophobicContact CE2-CB 4.34Å
232	P	93.3	Very high	93.9	Very high	63 Å²	63	45.8 Å²	45.8	41%	0.409	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-29	-178.6	-23.4	34.4	0	0	0	113.6	K230 L234 S235 N236	K230-P232 VanDerWaalsContact C-CD 3.48Å; K230-P232 WeakPolarHBondContact O-CD 3.42Å; P232-L234 PolarHBondContact O-N 3.05Å; P232-S235 PolarHBondContact O-N 3.5Å; P232-S235 PolarHBondContact O-OG 2.8Å; P232-N236 WeakPolarHBondContact O-CB 3.19Å; P232-N236 PolarHBondContact O-N 3.18Å; P232-N236 PolarHBondContact O-ND2 2.75Å
233	D	93.9	Very high	93.7	Very high	69 Å²	69	48.5 Å²	48.5	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-23.8	-179.8	-85.2	14.4	0	0	0	113.4	F231 K237 G282	F231-D233 PolarHBondContact O-N 3.27Å; D233-K237 HydrophobicContact CB-CD 4.48Å; D233-K237 WeakPolarHBondContact O-CB 3.43Å; D233-K237 PolarHBondContact O-N 2.94Å; D233-K237 IonicContact OD2-NZ 3.46Å; D233-K237 PolarHBondContact OD2-NZ 2.94Å; D233-G282 WeakPolarHBondContact CB-O 3.45Å; D233-G282 VanDerWaalsContact O-CA 3.24Å; D233-G282 WeakPolarHBondContact O-CA 3.43Å
234	L	93.4	Very high	93.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-51.5	175.3	-66.1	174.5	0	0	0	111.2	F224 F231 P232 G238 Q283 F313 L317	F224-L234 HydrophobicContact CD1-CB 3.65Å; F224-L234 HydrophobicContact CE1-CB 3.51Å; F224-L234 HydrophobicContact CE1-CD1 3.98Å; F224-L234 HydrophobicContact CE1-CG 4.34Å; F224-L234 HydrophobicContact CE2-CD1 4.37Å; F224-L234 HydrophobicContact CG-CB 4.24Å; F224-L234 HydrophobicContact CZ-CB 4Å; F224-L234 HydrophobicContact CZ-CD1 3.72Å; F224-L234 HydrophobicContact CZ-CG 4.37Å; F231-L234 HydrophobicContact CB-CD1 3.53Å; F231-L234 HydrophobicContact CB-CG 3.77Å; F231-L234 HydrophobicContact CD2-CD1 4.44Å; F231-L234 HydrophobicContact CG-CD1 4.27Å; F231-L234 WeakPolarHBondContact O-CB 3.41Å; F231-L234 PolarHBondContact O-N 2.86Å; F231-L234 VanDerWaalsContact O-N 3.16Å; P232-L234 PolarHBondContact O-N 3.05Å; L234-G238 WeakPolarHBondContact O-CA 3.42Å; L234-G238 PolarHBondContact O-N 3.13Å; L234-Q283 HydrophobicContact CD2-CB 4.05Å; L234-F313 HydrophobicContact CD1-CE2 4.1Å; L234-F313 HydrophobicContact CD1-CZ 3.84Å; L234-F313 HydrophobicContact CD2-CE2 4.39Å; L234-F313 HydrophobicContact CD2-CZ 4.05Å; L234-L317 HydrophobicContact CD1-CD1 4.31Å
235	S	93.8	Very high	93.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-75.9	-39.6	176.7	52.4	0	0	0	0	112.5	F224 P232 K237 A239	F224-S235 WeakPolarHBondContact O-CA 3.26Å; P232-S235 PolarHBondContact O-N 3.5Å; P232-S235 PolarHBondContact O-OG 2.8Å; S235-K237 VanDerWaalsContact C-N 3.27Å; S235-K237 PolarHBondContact O-N 3.41Å; S235-A239 WeakPolarHBondContact O-CB 3.43Å; S235-A239 PolarHBondContact O-N 3.13Å
236	N	94.3	Very high	93.4	Very high	74 Å²	74	56.4 Å²	56.4	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-33.5	-175.3	-69.2	-18.6	0	0	0	113	P232	P232-N236 WeakPolarHBondContact O-CB 3.19Å; P232-N236 PolarHBondContact O-N 3.18Å; P232-N236 PolarHBondContact O-ND2 2.75Å
237	K	93.9	Very high	93.4	Very high	113 Å²	113	56.4 Å²	56.4	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-107.6	-21.7	-179.8	-62.1	171.6	-179.5	159.1	0	112.9	D233 S235 K281	D233-K237 HydrophobicContact CB-CD 4.48Å; D233-K237 WeakPolarHBondContact O-CB 3.43Å; D233-K237 PolarHBondContact O-N 2.94Å; D233-K237 IonicContact OD2-NZ 3.46Å; D233-K237 PolarHBondContact OD2-NZ 2.94Å; S235-K237 VanDerWaalsContact C-N 3.27Å; S235-K237 PolarHBondContact O-N 3.41Å; K237-K281 HydrophobicContact CB-CB 4.07Å; K237-K281 WeakPolarHBondContact CB-O 3.45Å; K237-K281 WeakPolarHBondContact CD-O 3.44Å; K237-K281 VanDerWaalsContact O-CD 3.22Å; K237-K281 WeakPolarHBondContact O-CD 3.45Å
238	G	92.4	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-95.7	-25.7	-175.7	0	0	0	0	0	115.1	S223 F224 L234	S223-G238 CarbonylContact C-O 3.59Å; S223-G238 VanDerWaalsContact CA-O 3.3Å; S223-G238 WeakPolarHBondContact CA-O 3.4Å; F224-G238 PolarHBondContact N-O 2.91Å; L234-G238 WeakPolarHBondContact O-CA 3.42Å; L234-G238 PolarHBondContact O-N 3.13Å
239	A	94.5	Very high	93.4	Very high	14 Å²	14	55.4 Å²	55.4	12%	0.116	29%	0.286	C	S	.	.	S	Bend	trans	-72.2	160.2	177.8	0	0	0	0	0	112.3	F224 S235 H241 I246	F224-A239 PolarHBondContact O-N 2.96Å; S235-A239 WeakPolarHBondContact O-CB 3.43Å; S235-A239 PolarHBondContact O-N 3.13Å; A239-H241 PolarHBondContact O-N 3.43Å; A239-I246 HydrophobicContact CB-CG2 3.9Å
240	F	93.8	Very high	93.6	Very high	104 Å²	104	53.1 Å²	53.1	46%	0.456	28%	0.284	S	S	.	.	S	Bend	trans	-60.2	-36.8	172.3	-74.1	-61.5	0	0	0	112.6	S190 R191 P222 H245	S190-F240 VanDerWaalsContact O-CE2 3.28Å; S190-F240 WeakPolarHBondContact O-CE2 3.46Å; R191-F240 WeakPolarHBondContact O-CZ 3.26Å; P222-F240 HydrophobicContact CB-CZ 4.16Å; F240-H245 HydrophobicContact CB-CB 4.12Å
241	H	92.9	Very high	93.7	Very high	86 Å²	86	50.1 Å²	50.1	40%	0.398	27%	0.273	S	S	.	.	S	Bend	trans	-148.1	131.6	173.7	-169.6	-91.8	0	0	0	109.7	A239 V243 T244 H245	A239-H241 PolarHBondContact O-N 3.43Å; H241-V243 PolarHBondContact ND1-N 3.2Å; H241-V243 PolarHBondContact O-N 3.48Å; H241-T244 WeakPolarHBondContact CB-OG1 3.07Å; H241-T244 VanDerWaalsContact CG-OG1 3.26Å; H241-T244 PolarHBondContact ND1-N 3.1Å; H241-T244 PolarHBondContact ND1-OG1 3.28Å; H241-H245 HydrophobicContact CB-CB 4.34Å; H241-H245 PolarHBondContact O-N 2.98Å
242	P	87	Confident	93.8	Very high	59 Å²	59	48.1 Å²	48.1	38%	0.383	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7	-168.7	26.5	-36.3	0	0	0	115.1
243	V	89.3	Confident	94	Very high	106 Å²	106	51.5 Å²	51.5	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-36.7	-176.6	-177.5	0	0	0	0	113.5	H241	H241-V243 PolarHBondContact ND1-N 3.2Å; H241-V243 PolarHBondContact O-N 3.48Å
244	T	91.8	Very high	94.1	Very high	79 Å²	79	54.7 Å²	54.7	49%	0.485	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-25.7	-168.3	50.1	0	0	0	0	112.8	H241	H241-T244 WeakPolarHBondContact CB-OG1 3.07Å; H241-T244 VanDerWaalsContact CG-OG1 3.26Å; H241-T244 PolarHBondContact ND1-N 3.1Å; H241-T244 PolarHBondContact ND1-OG1 3.28Å
245	H	94.5	Very high	94.3	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.329	28%	0.275	S	S	.	.	S	Bend	trans	-115.8	46.8	-176.1	-63.7	65	0	0	0	109.8	Y193 P225 F240 H241	Y193-H245 VanDerWaalsContact CB-CD2 3.47Å; Y193-H245 WeakPolarHBondContact CB-CD2 3.12Å; Y193-H245 HydrophobicContact CD1-CB 4.27Å; Y193-H245 AromaticContact CD1-CD2 3.67Å; Y193-H245 HydrophobicContact CD2-CB 4.08Å; Y193-H245 HydrophobicContact CG-CB 3.91Å; Y193-H245 AromaticContact CG-CD2 3.72Å; P225-H245 WeakPolarHBondContact CB-O 3.43Å; F240-H245 HydrophobicContact CB-CB 4.12Å; H241-H245 HydrophobicContact CB-CB 4.34Å; H241-H245 PolarHBondContact O-N 2.98Å
246	I	96.3	Very high	94.4	Very high	16 Å²	16	55.1 Å²	55.1	8%	0.082	28%	0.278	C	S	.	.			trans	-126.7	146.1	178.8	61.3	165.8	0	0	0	110.1	P225 A239 T248	P225-I246 CarbonylContact O-C 3.56Å; P225-I246 VanDerWaalsContact O-CA 3.32Å; P225-I246 WeakPolarHBondContact O-CA 3.42Å; A239-I246 HydrophobicContact CB-CG2 3.9Å; I246-T248 HydrophobicContact CD1-CG2 4.11Å; I246-T248 HydrophobicContact CG1-CG2 4.44Å
247	Y	96.9	Very high	94.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-98.7	105	168.2	-61	-60.5	0	0	0	108.8	T189 Y193 L194 V196 I199 W216 P225 Q227	T189-Y247 WeakPolarHBondContact CB-OH 3.36Å; T189-Y247 HydrophobicContact CG2-CE2 4.34Å; T189-Y247 WeakPolarHBondContact CG2-OH 3.39Å; Y193-Y247 HydrophobicContact CD2-CE1 4.18Å; Y193-Y247 HydrophobicContact CD2-CE2 4.14Å; Y193-Y247 AromaticContact CD2-CZ 3.73Å; Y193-Y247 AromaticContact CE2-CD1 3.98Å; Y193-Y247 HydrophobicContact CE2-CD1 3.98Å; Y193-Y247 AromaticContact CE2-CE1 3.41Å; Y193-Y247 HydrophobicContact CE2-CE1 3.41Å; Y193-Y247 VanDerWaalsContact CE2-CE1 3.41Å; Y193-Y247 HydrophobicContact CE2-CE2 4.04Å; Y193-Y247 HydrophobicContact CE2-CG 4.49Å; Y193-Y247 AromaticContact CE2-CZ 3.44Å; Y193-Y247 VanDerWaalsContact CE2-CZ 3.44Å; Y193-Y247 AromaticContact CZ-CE1 4Å; L194-Y247 PolarHBondContact N-OH 3.47Å; L194-Y247 VanDerWaalsContact O-CE1 3.32Å; L194-Y247 WeakPolarHBondContact O-CE1 3.26Å; L194-Y247 PolarHBondContact O-OH 3.36Å; V196-Y247 HydrophobicContact CG2-CD1 4.2Å; V196-Y247 HydrophobicContact CG2-CE1 4.32Å; I199-Y247 HydrophobicContact CD1-CE1 3.95Å; W216-Y247 HydrophobicContact CH2-CD1 4.39Å; W216-Y247 HydrophobicContact CH2-CG 4.29Å; W216-Y247 HydrophobicContact CZ2-CD1 4.01Å; W216-Y247 AromaticContact CZ2-CD2 3.8Å; W216-Y247 HydrophobicContact CZ2-CD2 3.8Å; W216-Y247 HydrophobicContact CZ2-CE1 4.09Å; W216-Y247 AromaticContact CZ2-CE2 3.88Å; W216-Y247 HydrophobicContact CZ2-CE2 3.88Å; W216-Y247 AromaticContact CZ2-CG 3.87Å; W216-Y247 HydrophobicContact CZ2-CG 3.87Å; P225-Y247 HydrophobicContact CB-CD2 3.73Å; P225-Y247 HydrophobicContact CB-CE2 3.82Å; P225-Y247 HydrophobicContact CG-CD2 3.89Å; P225-Y247 HydrophobicContact CG-CE2 3.76Å; P225-Y247 PolarHBondContact O-N 3.32Å; Q227-Y247 VanDerWaalsContact CB-O 3.27Å; Q227-Y247 WeakPolarHBondContact CB-O 3.31Å; Q227-Y247 PolarHBondContact N-O 2.91Å; Q227-Y247 VanDerWaalsContact N-O 3.07Å
248	T	95.9	Very high	94.3	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.19	27%	0.265	C	S	.	.			trans	-69.5	162.5	176.6	67.7	0	0	0	0	110.8	I246 S250 D251 V252	I246-T248 HydrophobicContact CD1-CG2 4.11Å; I246-T248 HydrophobicContact CG1-CG2 4.44Å; T248-S250 PolarHBondContact O-N 2.93Å; T248-S250 PolarHBondContact OG1-N 3.08Å; T248-S250 PolarHBondContact OG1-OG 3.26Å; T248-D251 WeakPolarHBondContact CB-OD2 3.38Å; T248-D251 PolarHBondContact N-OD2 2.81Å; T248-D251 WeakPolarHBondContact O-CB 3.24Å; T248-D251 PolarHBondContact O-N 2.82Å; T248-D251 PolarHBondContact OG1-N 3.41Å; T248-D251 VanDerWaalsContact OG1-N 3.15Å; T248-D251 PolarHBondContact OG1-OD2 3.06Å; T248-V252 WeakPolarHBondContact O-CG2 3.34Å; T248-V252 PolarHBondContact O-N 3.16Å
249	Q	94.2	Very high	94.4	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-27.5	174.3	-67.7	-73	-32.4	0	0	112.5	Y226 Q227 Q229 R253	Y226-Q249 PolarHBondContact OH-NE2 2.89Å; Q227-Q249 PolarHBondContact O-NE2 3.04Å; Q229-Q249 HydrophobicContact CG-CG 3.86Å; Q249-R253 WeakPolarHBondContact O-CB 3.28Å; Q249-R253 VanDerWaalsContact O-CG 3.26Å; Q249-R253 WeakPolarHBondContact O-CG 3.34Å; Q249-R253 PolarHBondContact O-N 3.03Å; Q249-R253 PolarHBondContact O-NH1 3.02Å
250	S	95.8	Very high	94.2	Very high	79 Å²	79	52.2 Å²	52.2	55%	0.552	26%	0.264	S	S	*	.	H	α-helix	trans	-69.5	-41.5	170.2	30.2	0	0	0	0	112.5	T248 R253 R254	T248-S250 PolarHBondContact O-N 2.93Å; T248-S250 PolarHBondContact OG1-N 3.08Å; T248-S250 PolarHBondContact OG1-OG 3.26Å; S250-R253 PolarHBondContact O-N 3.31Å; S250-R254 VanDerWaalsContact O-CB 3.32Å; S250-R254 WeakPolarHBondContact O-CB 3.25Å; S250-R254 PolarHBondContact O-N 3.25Å
251	D	96.4	Very high	93.9	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.193	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-45.4	178.9	-62.7	-44.7	0	0	0	111.2	V196 T248 R253 R254 V255	V196-D251 HydrophobicContact CG2-CB 3.83Å; T248-D251 WeakPolarHBondContact CB-OD2 3.38Å; T248-D251 PolarHBondContact N-OD2 2.81Å; T248-D251 WeakPolarHBondContact O-CB 3.24Å; T248-D251 PolarHBondContact O-N 2.82Å; T248-D251 PolarHBondContact OG1-N 3.41Å; T248-D251 VanDerWaalsContact OG1-N 3.15Å; T248-D251 PolarHBondContact OG1-OD2 3.06Å; D251-R253 PolarHBondContact O-N 3.45Å; D251-R254 WeakPolarHBondContact O-CB 3.49Å; D251-R254 PolarHBondContact O-N 2.88Å; D251-R254 VanDerWaalsContact O-N 3.14Å; D251-V255 WeakPolarHBondContact O-CG2 3.32Å; D251-V255 PolarHBondContact O-N 2.91Å
252	V	96.8	Very high	93.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-46.6	177.1	177.2	0	0	0	0	110.7	W216 Y226 T248 R254 V255 I256 V324 F325	W216-V252 HydrophobicContact CH2-CG2 4.22Å; W216-V252 HydrophobicContact CZ3-CG1 4.46Å; W216-V252 HydrophobicContact CZ3-CG2 4.43Å; Y226-V252 HydrophobicContact CD2-CG2 4.28Å; Y226-V252 HydrophobicContact CE2-CG2 4.25Å; T248-V252 WeakPolarHBondContact O-CG2 3.34Å; T248-V252 PolarHBondContact O-N 3.16Å; V252-R254 VanDerWaalsContact C-N 3.31Å; V252-R254 PolarHBondContact O-N 3.5Å; V252-V255 PolarHBondContact O-N 3.14Å; V252-I256 HydrophobicContact CG1-CD1 3.77Å; V252-I256 HydrophobicContact CG1-CG1 4.47Å; V252-I256 VanDerWaalsContact O-CG1 3.29Å; V252-I256 WeakPolarHBondContact O-CG1 2.73Å; V252-I256 PolarHBondContact O-N 3.42Å; V252-V324 HydrophobicContact CG1-CG1 3.64Å; V252-F325 HydrophobicContact CG1-CE1 3.85Å; V252-F325 HydrophobicContact CG1-CE2 4.18Å; V252-F325 HydrophobicContact CG1-CZ 3.56Å
253	R	95.7	Very high	93.8	Very high	134 Å²	134	43 Å²	43	51%	0.506	22%	0.22	S	C	.	.	H	α-helix	trans	-62.2	-37.6	175.1	-73.4	-177.5	-164.4	104.1	1.4	112.5	Q249 S250 D251 I256 S257	Q249-R253 WeakPolarHBondContact O-CB 3.28Å; Q249-R253 VanDerWaalsContact O-CG 3.26Å; Q249-R253 WeakPolarHBondContact O-CG 3.34Å; Q249-R253 PolarHBondContact O-N 3.03Å; Q249-R253 PolarHBondContact O-NH1 3.02Å; S250-R253 PolarHBondContact O-N 3.31Å; D251-R253 PolarHBondContact O-N 3.45Å; R253-I256 PolarHBondContact O-N 3.26Å; R253-S257 VanDerWaalsContact O-CB 3.32Å; R253-S257 WeakPolarHBondContact O-CB 3.4Å; R253-S257 PolarHBondContact O-N 3.14Å
254	R	96.6	Very high	93.9	Very high	135 Å²	135	38.1 Å²	38.1	51%	0.509	19%	0.19	S	C	.	.	H	α-helix	trans	-62.9	-46.5	176.2	-177.5	179	179.4	-177.1	-1.4	110.9	S250 D251 V252 S257 Y258	S250-R254 VanDerWaalsContact O-CB 3.32Å; S250-R254 WeakPolarHBondContact O-CB 3.25Å; S250-R254 PolarHBondContact O-N 3.25Å; D251-R254 WeakPolarHBondContact O-CB 3.49Å; D251-R254 PolarHBondContact O-N 2.88Å; D251-R254 VanDerWaalsContact O-N 3.14Å; V252-R254 VanDerWaalsContact C-N 3.31Å; V252-R254 PolarHBondContact O-N 3.5Å; R254-S257 PolarHBondContact O-N 2.83Å; R254-Y258 VanDerWaalsContact O-CB 3.23Å; R254-Y258 WeakPolarHBondContact O-CB 3.47Å; R254-Y258 PolarHBondContact O-N 3.02Å
255	V	97.3	Very high	94.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-48.8	176.5	172.8	0	0	0	0	110.7	V196 I199 L200 L203 F214 W216 D251 V252 S257 Y258 A259	V196-V255 HydrophobicContact CG1-CG2 4.07Å; I199-V255 HydrophobicContact CG2-CG1 4.11Å; I199-V255 HydrophobicContact CG2-CG2 4.35Å; L200-V255 HydrophobicContact CD2-CG2 4.2Å; L203-V255 HydrophobicContact CD1-CG1 4.15Å; F214-V255 HydrophobicContact CD1-CG1 4.35Å; F214-V255 HydrophobicContact CE1-CG1 4.07Å; W216-V255 HydrophobicContact CE3-CG1 4.22Å; W216-V255 HydrophobicContact CH2-CB 4.41Å; W216-V255 HydrophobicContact CH2-CG1 4.43Å; W216-V255 HydrophobicContact CH2-CG2 4.18Å; W216-V255 HydrophobicContact CZ3-CB 4.02Å; W216-V255 HydrophobicContact CZ3-CG1 3.79Å; W216-V255 HydrophobicContact CZ3-CG2 4.28Å; D251-V255 WeakPolarHBondContact O-CG2 3.32Å; D251-V255 PolarHBondContact O-N 2.91Å; V252-V255 PolarHBondContact O-N 3.14Å; V255-S257 PolarHBondContact O-N 3.28Å; V255-Y258 PolarHBondContact O-N 2.93Å; V255-A259 VanDerWaalsContact O-CB 3.3Å; V255-A259 WeakPolarHBondContact O-CB 3.29Å; V255-A259 PolarHBondContact O-N 2.97Å
256	I	95.6	Very high	94.2	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-47.3	178.4	-68.8	166.6	0	0	0	111.3	Y117 V252 R253 A259 R260 V266 V324 F325 P326	Y117-I256 HydrophobicContact CE1-CG2 3.72Å; V252-I256 HydrophobicContact CG1-CD1 3.77Å; V252-I256 HydrophobicContact CG1-CG1 4.47Å; V252-I256 VanDerWaalsContact O-CG1 3.29Å; V252-I256 WeakPolarHBondContact O-CG1 2.73Å; V252-I256 PolarHBondContact O-N 3.42Å; R253-I256 PolarHBondContact O-N 3.26Å; I256-A259 PolarHBondContact O-N 3.08Å; I256-R260 WeakPolarHBondContact O-CB 3.4Å; I256-R260 PolarHBondContact O-N 3.32Å; I256-V266 HydrophobicContact CG1-CB 4.23Å; I256-V266 HydrophobicContact CG1-CG1 4.34Å; I256-V266 HydrophobicContact CG1-CG2 4.23Å; I256-V324 WeakPolarHBondContact CD1-O 3.07Å; I256-F325 HydrophobicContact CD1-CD1 3.77Å; I256-F325 HydrophobicContact CD1-CE1 4.05Å; I256-F325 HydrophobicContact CD1-CG 4.35Å; I256-F325 HydrophobicContact CG1-CD1 4.29Å; I256-F325 HydrophobicContact CG1-CE1 4.45Å; I256-P326 HydrophobicContact CG2-CG 3.85Å
257	S	93.3	Very high	94.2	Very high	55 Å²	55	30.9 Å²	30.9	39%	0.385	15%	0.15	S	C	.	.	H	α-helix	trans	-64.6	-42.3	177.9	-175	0	0	0	0	111.2	R253 R254 V255 A259 R260 M261	R253-S257 VanDerWaalsContact O-CB 3.32Å; R253-S257 WeakPolarHBondContact O-CB 3.4Å; R253-S257 PolarHBondContact O-N 3.14Å; R254-S257 PolarHBondContact O-N 2.83Å; V255-S257 PolarHBondContact O-N 3.28Å; S257-A259 VanDerWaalsContact C-N 3.35Å; S257-A259 PolarHBondContact O-N 3.43Å; S257-R260 WeakPolarHBondContact O-CB 3.28Å; S257-R260 PolarHBondContact O-N 2.85Å; S257-M261 WeakPolarHBondContact O-CG 3.48Å; S257-M261 PolarHBondContact O-N 2.76Å
258	Y	93.9	Very high	94.2	Very high	58 Å²	58	30.9 Å²	30.9	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-39.1	179.9	-163.9	-95.1	0	0	0	112.7	L200 L203 D204 R254 V255 M261 R262	L200-Y258 HydrophobicContact CB-CD1 4.22Å; L200-Y258 HydrophobicContact CB-CE1 3.91Å; L200-Y258 HydrophobicContact CD1-CD2 4.44Å; L200-Y258 HydrophobicContact CD1-CE2 4.49Å; L200-Y258 HydrophobicContact CD2-CD1 3.73Å; L200-Y258 HydrophobicContact CD2-CD2 4.28Å; L200-Y258 HydrophobicContact CD2-CE1 4.3Å; L200-Y258 HydrophobicContact CD2-CG 3.68Å; L200-Y258 HydrophobicContact CG-CD1 4.45Å; L200-Y258 WeakPolarHBondContact O-CE1 3.48Å; L203-Y258 HydrophobicContact CB-CD1 4.06Å; L203-Y258 HydrophobicContact CB-CE1 4.25Å; L203-Y258 HydrophobicContact CD1-CD1 3.9Å; D204-Y258 PolarHBondContact OD1-OH 3.06Å; D204-Y258 PolarHBondContact OD2-OH 3.4Å; R254-Y258 VanDerWaalsContact O-CB 3.23Å; R254-Y258 WeakPolarHBondContact O-CB 3.47Å; R254-Y258 PolarHBondContact O-N 3.02Å; V255-Y258 PolarHBondContact O-N 2.93Å; Y258-M261 PolarHBondContact O-N 3.49Å; Y258-R262 VanDerWaalsContact CE1-NH1 3.27Å; Y258-R262 VanDerWaalsContact CZ-NH1 3.34Å; Y258-R262 PolarHBondContact O-NH1 3.36Å; Y258-R262 VanDerWaalsContact O-NH1 3.16Å; Y258-R262 PolarHBondContact OH-NH2 3.07Å
259	A	93.2	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-46.5	173.5	0	0	0	0	0	111.1	L203 V255 I256 S257 M261 R262 G263 I264 V266	L203-A259 HydrophobicContact CD1-CB 3.99Å; L203-A259 HydrophobicContact CD2-CB 4.09Å; V255-A259 VanDerWaalsContact O-CB 3.3Å; V255-A259 WeakPolarHBondContact O-CB 3.29Å; V255-A259 PolarHBondContact O-N 2.97Å; I256-A259 PolarHBondContact O-N 3.08Å; S257-A259 VanDerWaalsContact C-N 3.35Å; S257-A259 PolarHBondContact O-N 3.43Å; A259-M261 VanDerWaalsContact C-N 3.26Å; A259-M261 PolarHBondContact O-N 3.41Å; A259-R262 CarbonylContact O-C 3.54Å; A259-R262 WeakPolarHBondContact O-CA 3.32Å; A259-R262 PolarHBondContact O-N 3.05Å; A259-G263 PolarHBondContact O-N 2.92Å; A259-I264 CarbonylContact C-O 3.57Å; A259-I264 VanDerWaalsContact C-O 3.28Å; A259-I264 HydrophobicContact CB-CB 4.01Å; A259-I264 HydrophobicContact CB-CG2 4.25Å; A259-I264 WeakPolarHBondContact CB-O 3.32Å; A259-I264 PolarHBondContact O-N 3.4Å; A259-V266 HydrophobicContact CB-CG2 3.53Å
260	R	90.2	Very high	94.4	Very high	26 Å²	26	28.9 Å²	28.9	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-54.7	-42.4	174.9	-171.9	-169.4	76.3	94	-3.4	111.8	Y117 W143 I256 S257 R262 G263	Y117-R260 HydrophobicContact CD1-CB 4.15Å; Y117-R260 HydrophobicContact CD1-CG 3.81Å; Y117-R260 HydrophobicContact CE1-CB 4.08Å; Y117-R260 VanDerWaalsContact CE1-CD 3.48Å; Y117-R260 HydrophobicContact CE1-CG 3.97Å; W143-R260 HydrophobicContact CH2-CG 4.36Å; I256-R260 WeakPolarHBondContact O-CB 3.4Å; I256-R260 PolarHBondContact O-N 3.32Å; S257-R260 WeakPolarHBondContact O-CB 3.28Å; S257-R260 PolarHBondContact O-N 2.85Å; R260-R262 PolarHBondContact O-N 2.88Å; R260-G263 PolarHBondContact O-N 3.41Å
261	M	87.8	Confident	94.2	Very high	33 Å²	33	25.1 Å²	25.1	16%	0.163	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-8.2	179.7	-63.2	-67.6	-69.8	0	0	114.2	V72 A75 S257 Y258 A259	V72-M261 HydrophobicContact CB-CE 4.41Å; V72-M261 HydrophobicContact CB-SD 4.18Å; V72-M261 HydrophobicContact CG1-CB 4.29Å; V72-M261 HydrophobicContact CG1-CE 4.13Å; V72-M261 HydrophobicContact CG1-SD 3.8Å; V72-M261 HydrophobicContact CG2-SD 3.88Å; A75-M261 HydrophobicContact CB-CE 3.26Å; S257-M261 WeakPolarHBondContact O-CG 3.48Å; S257-M261 PolarHBondContact O-N 2.76Å; Y258-M261 PolarHBondContact O-N 3.49Å; A259-M261 VanDerWaalsContact C-N 3.26Å; A259-M261 PolarHBondContact O-N 3.41Å
262	R	89.6	Confident	94	Very high	15 Å²	15	23.5 Å²	23.5	6%	0.057	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	4.8	176.6	-72.6	163.5	179.9	68.9	6.4	112.9	D204 A207 Y258 A259 R260 I264	D204-R262 IonicContact OD1-CZ 3.54Å; D204-R262 IonicContact OD1-NE 2.66Å; D204-R262 PolarHBondContact OD1-NE 3.08Å; D204-R262 IonicContact OD1-NH2 3.05Å; D204-R262 PolarHBondContact OD1-NH2 3.36Å; A207-R262 HydrophobicContact CB-CB 4.03Å; A207-R262 HydrophobicContact CB-CG 4.07Å; Y258-R262 VanDerWaalsContact CE1-NH1 3.27Å; Y258-R262 VanDerWaalsContact CZ-NH1 3.34Å; Y258-R262 PolarHBondContact O-NH1 3.36Å; Y258-R262 VanDerWaalsContact O-NH1 3.16Å; Y258-R262 PolarHBondContact OH-NH2 3.07Å; A259-R262 CarbonylContact O-C 3.54Å; A259-R262 WeakPolarHBondContact O-CA 3.32Å; A259-R262 PolarHBondContact O-N 3.05Å; R260-R262 PolarHBondContact O-N 2.88Å; R262-I264 VanDerWaalsContact C-N 3.29Å; R262-I264 HydrophobicContact CB-CD1 3.99Å; R262-I264 HydrophobicContact CB-CG1 4.16Å
263	G	88.2	Confident	93.7	Very high	9 Å²	9	23.5 Å²	23.5	9%	0.093	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	27.3	-175.1	0	0	0	0	0	113.5	A259 R260	A259-G263 PolarHBondContact O-N 2.92Å; R260-G263 PolarHBondContact O-N 3.41Å
264	I	92.7	Very high	93.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.015	8%	0.082	C	C	.	.			trans	-101.9	128.9	177.7	-59.2	168.4	0	0	0	109	L203 M206 A207 N212 F214 A259 R262	L203-I264 HydrophobicContact CB-CD1 4.32Å; L203-I264 HydrophobicContact CD2-CB 4.48Å; L203-I264 HydrophobicContact CD2-CD1 3.99Å; L203-I264 HydrophobicContact CD2-CG2 3.92Å; L203-I264 VanDerWaalsContact O-CD1 3.32Å; L203-I264 WeakPolarHBondContact O-CD1 3.32Å; M206-I264 HydrophobicContact CB-CD1 3.73Å; M206-I264 HydrophobicContact CE-CG2 3.93Å; A207-I264 HydrophobicContact CB-CD1 4.44Å; N212-I264 CarbonylContact O-C 3.54Å; N212-I264 WeakPolarHBondContact O-CA 3.45Å; F214-I264 HydrophobicContact CB-CG2 3.81Å; A259-I264 CarbonylContact C-O 3.57Å; A259-I264 VanDerWaalsContact C-O 3.28Å; A259-I264 HydrophobicContact CB-CB 4.01Å; A259-I264 HydrophobicContact CB-CG2 4.25Å; A259-I264 WeakPolarHBondContact CB-O 3.32Å; A259-I264 PolarHBondContact O-N 3.4Å; R262-I264 VanDerWaalsContact C-N 3.29Å; R262-I264 HydrophobicContact CB-CD1 3.99Å; R262-I264 HydrophobicContact CB-CG1 4.16Å
265	R	94.3	Very high	93.1	Very high	6 Å²	6	12 Å²	12	2%	0.023	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142	172	-65.9	170.2	56.7	-142.4	-12.8	109.5	P118 N212 V213 F214 D327	P118-R265 HydrophobicContact CB-CG 3.94Å; P118-R265 HydrophobicContact CG-CG 3.73Å; P118-R265 WeakPolarHBondContact O-CG 3.38Å; N212-R265 WeakPolarHBondContact O-CB 3.4Å; N212-R265 PolarHBondContact O-N 3.26Å; V213-R265 HydrophobicContact CG2-CB 4.31Å; F214-R265 PolarHBondContact N-O 3.48Å; R265-D327 WeakPolarHBondContact CB-OD1 3.04Å; R265-D327 IonicContact CZ-OD1 3.81Å; R265-D327 IonicContact CZ-OD2 2.73Å; R265-D327 IonicContact NE-OD1 3.03Å; R265-D327 PolarHBondContact NE-OD1 2.86Å; R265-D327 IonicContact NE-OD2 3.8Å; R265-D327 IonicContact NH2-OD1 3.39Å; R265-D327 PolarHBondContact NH2-OD1 2.98Å; R265-D327 VanDerWaalsContact NH2-OD1 3.08Å; R265-D327 IonicContact NH2-OD2 3.53Å; R265-D327 PolarHBondContact NH2-OD2 3.35Å
266	V	96.9	Very high	92.8	Very high	7 Å²	7	12.1 Å²	12.1	4%	0.042	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107.7	174.4	-178	0	0	0	0	107.9	F214 W216 I256 A259 P268 F325 D327	F214-V266 HydrophobicContact CD1-CG1 4.05Å; F214-V266 HydrophobicContact CD1-CG2 4.25Å; W216-V266 HydrophobicContact CE3-CG1 4.05Å; I256-V266 HydrophobicContact CG1-CB 4.23Å; I256-V266 HydrophobicContact CG1-CG1 4.34Å; I256-V266 HydrophobicContact CG1-CG2 4.23Å; A259-V266 HydrophobicContact CB-CG2 3.53Å; V266-P268 WeakPolarHBondContact O-CD 3.34Å; V266-F325 HydrophobicContact CG1-CD1 4.01Å; V266-F325 HydrophobicContact CG1-CE1 3.89Å; V266-D327 WeakPolarHBondContact O-CB 3.18Å
267	L	97	Very high	92.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.6	177.5	171.8	63.5	0	0	0	108.3	Y182 V213 F214 H215 W216 H331 I384	Y182-L267 HydrophobicContact CE2-CD2 4.48Å; Y182-L267 WeakPolarHBondContact OH-CD2 3.17Å; V213-L267 HydrophobicContact CG1-CB 3.96Å; V213-L267 HydrophobicContact CG1-CD2 4.4Å; F214-L267 PolarHBondContact O-N 3.32Å; H215-L267 HydrophobicContact CB-CD2 4.36Å; W216-L267 PolarHBondContact N-O 3.09Å; L267-H331 HydrophobicContact CD1-CB 4.38Å; L267-H331 HydrophobicContact CD2-CB 4.41Å; L267-H331 HydrophobicContact CG-CB 4.33Å; L267-I384 HydrophobicContact CD1-CD1 4.02Å; L267-I384 HydrophobicContact CD2-CD1 3.62Å; L267-I384 HydrophobicContact CG-CD1 4.49Å
268	P	97.3	Very high	92.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.7	175.4	32.4	-35.6	0	0	0	111.1	L218 V266 F270 V321 F325 I330 H331	L218-P268 HydrophobicContact CD1-CB 3.81Å; V266-P268 WeakPolarHBondContact O-CD 3.34Å; P268-F270 HydrophobicContact CB-CD2 4.33Å; P268-F270 HydrophobicContact CB-CE2 4.07Å; P268-V321 HydrophobicContact CB-CG1 4.27Å; P268-V321 HydrophobicContact CG-CG1 3.94Å; P268-F325 HydrophobicContact CB-CD1 3.9Å; P268-F325 HydrophobicContact CB-CD2 3.92Å; P268-F325 HydrophobicContact CB-CE1 3.9Å; P268-F325 HydrophobicContact CB-CE2 3.91Å; P268-F325 HydrophobicContact CB-CG 3.92Å; P268-F325 HydrophobicContact CB-CZ 3.9Å; P268-F325 HydrophobicContact CG-CB 3.82Å; P268-F325 HydrophobicContact CG-CD1 3.87Å; P268-F325 HydrophobicContact CG-CD2 3.86Å; P268-F325 HydrophobicContact CG-CE1 4.39Å; P268-F325 HydrophobicContact CG-CE2 4.37Å; P268-F325 HydrophobicContact CG-CG 3.57Å; P268-I330 HydrophobicContact CG-CG1 4.49Å; P268-H331 PolarHBondContact O-N 3.15Å
269	E	97.7	Very high	92.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.7	166.3	-173.1	168.2	-158	0	0	111.7	H215 W216 H217 D271 H331 G333 W386	H215-E269 IonicContact CE1-OE2 3.38Å; H215-E269 PolarHBondContact CE1-OE2 3.02Å; H215-E269 WeakPolarHBondContact NE2-CB 3.32Å; H215-E269 IonicContact NE2-OE2 2.79Å; H215-E269 PolarHBondContact NE2-OE2 3.4Å; H215-E269 VanDerWaalsContact NE2-OE2 3.11Å; W216-E269 PolarHBondContact O-N 3.46Å; H217-E269 IonicContact CE1-OE2 2.97Å; H217-E269 IonicContact CG-OE2 2.63Å; H217-E269 IonicContact ND1-OE1 3.63Å; H217-E269 IonicContact ND1-OE2 3.11Å; H217-E269 PolarHBondContact ND1-OE2 3.01Å; E269-D271 HydrophobicContact CG-CB 4.36Å; E269-H331 WeakPolarHBondContact CA-O 3.39Å; E269-H331 HydrophobicContact CB-CB 3.81Å; E269-H331 VanDerWaalsContact CD-ND1 3.26Å; E269-H331 HydrophobicContact CG-CB 3.87Å; E269-H331 IonicContact OE1-CE1 3.36Å; E269-H331 PolarHBondContact OE1-CE1 2.94Å; E269-H331 VanDerWaalsContact OE1-CE1 3.31Å; E269-H331 IonicContact OE1-CG 3.18Å; E269-H331 IonicContact OE1-ND1 3.93Å; E269-H331 PolarHBondContact OE1-ND1 3.24Å; E269-G333 WeakPolarHBondContact OE1-CA 3.46Å; E269-W386 PolarHBondContact OE1-NE1 2.83Å
270	F	95.4	Very high	92.4	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	81.2	171.3	-76.7	-91.3	0	0	0	107.2	L218 V219 F224 Y226 P268 S272 W279 V321 F325 H331	L218-F270 HydrophobicContact CD1-CE2 3.99Å; L218-F270 HydrophobicContact CD1-CZ 4.31Å; V219-F270 HydrophobicContact CG1-CE1 4.29Å; V219-F270 HydrophobicContact CG2-CD1 3.7Å; V219-F270 HydrophobicContact CG2-CE1 4.19Å; V219-F270 HydrophobicContact CG2-CG 4.41Å; F224-F270 HydrophobicContact CZ-CE1 4.25Å; Y226-F270 AromaticContact CD1-CE1 3.85Å; Y226-F270 HydrophobicContact CD1-CE1 3.85Å; Y226-F270 AromaticContact CD1-CZ 3.77Å; Y226-F270 HydrophobicContact CD1-CZ 3.77Å; Y226-F270 HydrophobicContact CD2-CZ 4.22Å; Y226-F270 HydrophobicContact CE1-CE1 4.36Å; Y226-F270 HydrophobicContact CE1-CZ 4.03Å; Y226-F270 HydrophobicContact CE2-CZ 4.44Å; Y226-F270 HydrophobicContact CG-CE1 4.16Å; Y226-F270 AromaticContact CG-CZ 3.87Å; Y226-F270 HydrophobicContact CG-CZ 3.87Å; P268-F270 HydrophobicContact CB-CD2 4.33Å; P268-F270 HydrophobicContact CB-CE2 4.07Å; F270-S272 PolarHBondContact O-N 2.88Å; F270-W279 HydrophobicContact CB-CH2 3.95Å; F270-W279 HydrophobicContact CB-CZ2 4.28Å; F270-W279 HydrophobicContact CD1-CH2 4.08Å; F270-W279 HydrophobicContact CD1-CZ2 4.25Å; F270-V321 HydrophobicContact CD2-CG1 3.98Å; F270-V321 HydrophobicContact CD2-CG2 3.9Å; F270-V321 HydrophobicContact CE1-CG2 4.33Å; F270-V321 HydrophobicContact CE2-CB 4.27Å; F270-V321 HydrophobicContact CE2-CG1 3.71Å; F270-V321 HydrophobicContact CE2-CG2 3.45Å; F270-V321 VanDerWaalsContact CE2-CG2 3.45Å; F270-V321 HydrophobicContact CZ-CG2 3.7Å; F270-F325 HydrophobicContact CE2-CE2 4.49Å; F270-H331 PolarHBondContact N-O 2.93Å
271	D	93.2	Very high	92.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.			trans	-64.4	131.1	-174	-177.3	13.7	0	0	0	111.5	E269 H275 T276 W279 G333 G334	E269-D271 HydrophobicContact CG-CB 4.36Å; D271-H275 HydrophobicContact CB-CB 4.43Å; D271-H275 VanDerWaalsContact OD2-CB 3.24Å; D271-H275 WeakPolarHBondContact OD2-CB 3.05Å; D271-H275 IonicContact OD2-CD2 3.67Å; D271-H275 PolarHBondContact OD2-CD2 3.18Å; D271-H275 IonicContact OD2-CG 2.83Å; D271-T276 VanDerWaalsContact O-CG2 3.32Å; D271-T276 WeakPolarHBondContact O-CG2 3.34Å; D271-W279 WeakPolarHBondContact O-CZ2 3.28Å; D271-G333 VanDerWaalsContact OD1-CA 3.29Å; D271-G333 WeakPolarHBondContact OD1-CA 3.1Å; D271-G334 PolarHBondContact OD1-N 3.48Å
272	S	92.1	Very high	92.3	Very high	1 Å²	1	16 Å²	16	1%	0.007	8%	0.084	C	C	.	.			trans	-157.9	150.5	174.2	71.1	0	0	0	0	110.1	F270 L332 Y368 I369	F270-S272 PolarHBondContact O-N 2.88Å; S272-L332 PolarHBondContact N-O 3.37Å; S272-Y368 WeakPolarHBondContact CB-OH 3.31Å; S272-Y368 PolarHBondContact OG-OH 2.65Å; S272-I369 WeakPolarHBondContact O-CD1 3.5Å
273	P	90.3	Very high	92.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	S	Bend	cis	-91.1	-8.8	9.9	34.8	-33.9	0	0	0	114.7	T276 P302 V303 V337 W342 Y368	P273-T276 PolarHBondContact O-OG1 3.35Å; P273-P302 HydrophobicContact CB-CB 4.44Å; P273-P302 WeakPolarHBondContact O-CA 3.45Å; P273-P302 WeakPolarHBondContact O-CB 3.26Å; P273-V303 HydrophobicContact CB-CB 3.87Å; P273-V303 HydrophobicContact CB-CG2 4.42Å; P273-V303 PolarHBondContact O-N 2.93Å; P273-V303 VanDerWaalsContact O-N 3.09Å; P273-V337 HydrophobicContact CG-CG1 4.21Å; P273-V337 HydrophobicContact CG-CG2 3.85Å; P273-W342 HydrophobicContact CB-CZ2 4.21Å; P273-W342 HydrophobicContact CG-CH2 3.97Å; P273-W342 HydrophobicContact CG-CZ2 4.16Å; P273-Y368 HydrophobicContact CB-CD1 3.87Å; P273-Y368 HydrophobicContact CB-CE1 3.69Å; P273-Y368 HydrophobicContact CB-CG 4.41Å; P273-Y368 HydrophobicContact CG-CD1 3.76Å; P273-Y368 HydrophobicContact CG-CE1 3.96Å; P273-Y368 HydrophobicContact CG-CG 4.46Å
274	G	88.5	Confident	92.2	Very high	4 Å²	4	21.9 Å²	21.9	4%	0.041	12%	0.12	C	C	.	.	S	Bend	trans	-65.7	-179.2	169.5	0	0	0	0	0	111.9	T276	G274-T276 WeakPolarHBondContact O-CB 3.4Å; G274-T276 WeakPolarHBondContact O-CG2 3.03Å; G274-T276 PolarHBondContact O-N 2.96Å; G274-T276 PolarHBondContact O-OG1 3.03Å
275	H	90.5	Very high	91.9	Very high	25 Å²	25	28.9 Å²	28.9	12%	0.116	15%	0.153	C	C	.	.	S	Bend	trans	48.4	35	167	-64.3	-76.2	0	0	0	116.7	D220 D221 D271 D335	D220-H275 CarbonylContact C-O 3.54Å; D220-H275 WeakPolarHBondContact CA-O 3.4Å; D220-H275 IonicContact OD1-CG 2.77Å; D220-H275 IonicContact OD1-ND1 3.15Å; D220-H275 PolarHBondContact OD1-ND1 3.49Å; D220-H275 WeakPolarHBondContact OD2-CB 3.24Å; D220-H275 IonicContact OD2-CE1 3.87Å; D220-H275 IonicContact OD2-CG 2.7Å; D220-H275 IonicContact OD2-ND1 3.57Å; D220-H275 PolarHBondContact OD2-ND1 2.6Å; D221-H275 PolarHBondContact N-O 3.05Å; D221-H275 VanDerWaalsContact OD1-CA 3.3Å; D221-H275 WeakPolarHBondContact OD1-CA 3.27Å; D271-H275 HydrophobicContact CB-CB 4.43Å; D271-H275 VanDerWaalsContact OD2-CB 3.24Å; D271-H275 WeakPolarHBondContact OD2-CB 3.05Å; D271-H275 IonicContact OD2-CD2 3.67Å; D271-H275 PolarHBondContact OD2-CD2 3.18Å; D271-H275 IonicContact OD2-CG 2.83Å; H275-D335 IonicContact NE2-OD2 3.71Å
276	T	92.1	Very high	91.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.153	C	C	.	.			trans	-120.7	11.5	-168.8	45.2	0	0	0	0	114.1	D221 D271 P273 G274 S278 W279 V303	D221-T276 PolarHBondContact OD1-N 3.13Å; D221-T276 VanDerWaalsContact OD1-N 3.07Å; D271-T276 VanDerWaalsContact O-CG2 3.32Å; D271-T276 WeakPolarHBondContact O-CG2 3.34Å; P273-T276 PolarHBondContact O-OG1 3.35Å; G274-T276 WeakPolarHBondContact O-CB 3.4Å; G274-T276 WeakPolarHBondContact O-CG2 3.03Å; G274-T276 PolarHBondContact O-N 2.96Å; G274-T276 PolarHBondContact O-OG1 3.03Å; T276-S278 PolarHBondContact O-N 3.27Å; T276-S278 VanDerWaalsContact O-N 3.14Å; T276-W279 VanDerWaalsContact CA-CD1 3.45Å; T276-W279 HydrophobicContact CG2-CD2 3.88Å; T276-W279 HydrophobicContact CG2-CE3 4.49Å; T276-W279 HydrophobicContact CG2-CG 4.04Å; T276-W279 HydrophobicContact CG2-CZ2 4.1Å; T276-W279 VanDerWaalsContact O-CB 3.29Å; T276-W279 WeakPolarHBondContact O-CB 3.45Å; T276-W279 PolarHBondContact O-N 3.5Å; T276-V303 HydrophobicContact CG2-CG2 3.75Å; T276-V303 WeakPolarHBondContact OG1-CG2 3.24Å
277	K	90.6	Very high	91.5	Very high	112 Å²	112	29 Å²	29	49%	0.487	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.5	-178.6	-73.9	173.8	-167.4	134.5	0	113.5	D221 W279	D221-K277 HydrophobicContact CB-CB 4.12Å; D221-K277 HydrophobicContact CB-CD 4.17Å; D221-K277 HydrophobicContact CB-CG 4.43Å; D221-K277 WeakPolarHBondContact O-CB 3.09Å; D221-K277 WeakPolarHBondContact OD1-CB 3.47Å; D221-K277 VanDerWaalsContact OD1-CG 3.23Å; D221-K277 WeakPolarHBondContact OD1-CG 3.39Å; D221-K277 PolarHBondContact OD1-N 2.84Å; D221-K277 WeakPolarHBondContact OD2-CD 3.27Å; D221-K277 WeakPolarHBondContact OD2-CE 3.49Å; D221-K277 IonicContact OD2-NZ 3.77Å; D221-K277 PolarHBondContact OD2-NZ 3.47Å; K277-W279 VanDerWaalsContact C-N 3.3Å; K277-W279 PolarHBondContact O-N 2.76Å
278	S	93.2	Very high	91.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.8	178.5	65.3	0	0	0	0	113.2	D220 D221 S223 T276 G280 K281	D220-S278 VanDerWaalsContact O-CB 3.27Å; D220-S278 WeakPolarHBondContact O-CB 3.26Å; D220-S278 PolarHBondContact O-OG 3.14Å; D221-S278 WeakPolarHBondContact O-CB 3.39Å; D221-S278 PolarHBondContact O-N 2.83Å; S223-S278 VanDerWaalsContact C-CB 3.42Å; S223-S278 PolarHBondContact O-OG 3.44Å; T276-S278 PolarHBondContact O-N 3.27Å; T276-S278 VanDerWaalsContact O-N 3.14Å; S278-G280 PolarHBondContact O-N 3.31Å; S278-K281 WeakPolarHBondContact O-CB 3.31Å; S278-K281 PolarHBondContact O-N 3.3Å
279	W	93.6	Very high	90.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-38.3	-176.5	-56.7	48.4	0	0	0	111	V219 F224 F270 D271 T276 K277 K281 G282 Q283 L286 F313 M314 L317	V219-W279 HydrophobicContact CG2-CH2 4.48Å; V219-W279 HydrophobicContact CG2-CZ2 3.45Å; V219-W279 VanDerWaalsContact CG2-CZ2 3.45Å; F224-W279 AromaticContact CD2-CD1 3.7Å; F224-W279 HydrophobicContact CD2-CD2 4.07Å; F224-W279 AromaticContact CD2-CG 3.86Å; F224-W279 HydrophobicContact CD2-CG 3.86Å; F224-W279 AromaticContact CD2-NE1 3.86Å; F224-W279 AromaticContact CE2-CD2 3.63Å; F224-W279 HydrophobicContact CE2-CD2 3.63Å; F224-W279 AromaticContact CE2-CE2 3.72Å; F224-W279 HydrophobicContact CE2-CE3 4.09Å; F224-W279 AromaticContact CE2-CG 3.9Å; F224-W279 HydrophobicContact CE2-CG 3.9Å; F224-W279 HydrophobicContact CE2-CZ2 4.28Å; F224-W279 AromaticContact CE2-NE1 3.95Å; F270-W279 HydrophobicContact CB-CH2 3.95Å; F270-W279 HydrophobicContact CB-CZ2 4.28Å; F270-W279 HydrophobicContact CD1-CH2 4.08Å; F270-W279 HydrophobicContact CD1-CZ2 4.25Å; D271-W279 WeakPolarHBondContact O-CZ2 3.28Å; T276-W279 VanDerWaalsContact CA-CD1 3.45Å; T276-W279 HydrophobicContact CG2-CD2 3.88Å; T276-W279 HydrophobicContact CG2-CE3 4.49Å; T276-W279 HydrophobicContact CG2-CG 4.04Å; T276-W279 HydrophobicContact CG2-CZ2 4.1Å; T276-W279 VanDerWaalsContact O-CB 3.29Å; T276-W279 WeakPolarHBondContact O-CB 3.45Å; T276-W279 PolarHBondContact O-N 3.5Å; K277-W279 VanDerWaalsContact C-N 3.3Å; K277-W279 PolarHBondContact O-N 2.76Å; W279-K281 PolarHBondContact O-N 3.48Å; W279-G282 PolarHBondContact O-N 3.29Å; W279-G282 VanDerWaalsContact O-N 3.1Å; W279-Q283 PolarHBondContact O-N 2.84Å; W279-L286 HydrophobicContact CB-CD2 3.86Å; W279-L286 HydrophobicContact CE3-CD2 4.29Å; W279-F313 HydrophobicContact CE3-CE1 4.06Å; W279-F313 HydrophobicContact CE3-CZ 4.41Å; W279-F313 HydrophobicContact CZ3-CE1 4.25Å; W279-M314 HydrophobicContact CH2-CE 4.43Å; W279-M314 HydrophobicContact CZ3-CE 4.24Å; W279-M314 HydrophobicContact CZ3-SD 3.91Å; W279-L317 HydrophobicContact CE3-CD2 4.26Å; W279-L317 HydrophobicContact CH2-CD2 4.13Å; W279-L317 HydrophobicContact CZ3-CD2 3.51Å
280	G	89.6	Confident	90.3	Very high	26 Å²	26	32 Å²	32	27%	0.268	17%	0.174	S	C	.	.	H	α-helix	trans	-64.6	-18.9	179	0	0	0	0	0	114.4	S278 G282	S278-G280 PolarHBondContact O-N 3.31Å; G280-G282 VanDerWaalsContact C-N 3.35Å
281	K	89.3	Confident	89.9	Confident	115 Å²	115	34.3 Å²	34.3	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-70.3	-34	174.2	-60.7	-179.4	-176.6	169.3	0	111.8	K237 S278 W279	K237-K281 HydrophobicContact CB-CB 4.07Å; K237-K281 WeakPolarHBondContact CB-O 3.45Å; K237-K281 WeakPolarHBondContact CD-O 3.44Å; K237-K281 VanDerWaalsContact O-CD 3.22Å; K237-K281 WeakPolarHBondContact O-CD 3.45Å; S278-K281 WeakPolarHBondContact O-CB 3.31Å; S278-K281 PolarHBondContact O-N 3.3Å; W279-K281 PolarHBondContact O-N 3.48Å
282	G	85.7	Confident	89.4	Confident	10 Å²	10	43 Å²	43	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-96.8	-25.3	-179	0	0	0	0	0	114.6	D233 W279 G280	D233-G282 WeakPolarHBondContact CB-O 3.45Å; D233-G282 VanDerWaalsContact O-CA 3.24Å; D233-G282 WeakPolarHBondContact O-CA 3.43Å; W279-G282 PolarHBondContact O-N 3.29Å; W279-G282 VanDerWaalsContact O-N 3.1Å; G280-G282 VanDerWaalsContact C-N 3.35Å
283	Q	90.4	Very high	88.5	Confident	54 Å²	54	47.4 Å²	47.4	25%	0.252	26%	0.261	S	S	.	.	S	Bend	trans	-121.6	108.3	179	-176.2	61.9	41.5	0	0	110.7	L234 W279 L286 F313	L234-Q283 HydrophobicContact CD2-CB 4.05Å; W279-Q283 PolarHBondContact O-N 2.84Å; Q283-L286 HydrophobicContact CB-CB 4.16Å; Q283-L286 HydrophobicContact CB-CD2 4.16Å; Q283-L286 HydrophobicContact CG-CB 3.86Å; Q283-L286 HydrophobicContact CG-CD2 4.3Å; Q283-F313 HydrophobicContact CB-CE2 4.1Å; Q283-F313 HydrophobicContact CB-CZ 4.35Å; Q283-F313 HydrophobicContact CG-CD2 3.85Å; Q283-F313 HydrophobicContact CG-CE2 3.89Å; Q283-F313 HydrophobicContact CG-CG 4.3Å; Q283-F313 HydrophobicContact CG-CZ 4.38Å
284	S	86.2	Confident	87.6	Confident	94 Å²	94	50.6 Å²	50.6	66%	0.657	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	146.2	174.5	56.1	0	0	0	0	111.2	L286	S284-L286 PolarHBondContact O-N 2.8Å; S284-L286 VanDerWaalsContact O-N 3.14Å
285	E	85.7	Confident	87.1	Confident	150 Å²	150	54.7 Å²	54.7	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	5	177.4	-50.4	-174	161	0	0	116.3
286	L	90.5	Very high	86.6	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	34%	0.339	C	S	.	.			trans	-72.2	-44.7	176.9	-177.4	64.3	0	0	0	112.4	W279 Q283 S284 V303 N304 T310 F313	W279-L286 HydrophobicContact CB-CD2 3.86Å; W279-L286 HydrophobicContact CE3-CD2 4.29Å; Q283-L286 HydrophobicContact CB-CB 4.16Å; Q283-L286 HydrophobicContact CB-CD2 4.16Å; Q283-L286 HydrophobicContact CG-CB 3.86Å; Q283-L286 HydrophobicContact CG-CD2 4.3Å; S284-L286 PolarHBondContact O-N 2.8Å; S284-L286 VanDerWaalsContact O-N 3.14Å; L286-V303 HydrophobicContact CD1-CG1 3.96Å; L286-V303 HydrophobicContact CG-CG1 4.42Å; L286-V303 HydrophobicContact CG-CG2 4.47Å; L286-N304 PolarHBondContact O-N 2.89Å; L286-T310 HydrophobicContact CD1-CG2 4.02Å; L286-F313 HydrophobicContact CD1-CD1 3.77Å; L286-F313 HydrophobicContact CD1-CE1 4.17Å; L286-F313 HydrophobicContact CD1-CG 4.5Å; L286-F313 HydrophobicContact CD2-CD1 4.14Å; L286-F313 HydrophobicContact CD2-CE1 3.68Å; L286-F313 HydrophobicContact CD2-CZ 4.21Å
287	L	91.7	Very high	85.8	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150	-175.7	-58.3	-175.2	0	0	0	112.2	S289 F300 V303	L287-S289 PolarHBondContact O-N 3.27Å; L287-F300 HydrophobicContact CB-CB 3.92Å; L287-F300 HydrophobicContact CB-CD1 3.99Å; L287-F300 HydrophobicContact CB-CG 4.28Å; L287-F300 HydrophobicContact CD1-CB 3.87Å; L287-F300 HydrophobicContact CD1-CG 4.47Å; L287-V303 HydrophobicContact CD2-CG2 4.17Å
288	T	90.5	Very high	85.2	Confident	0 Å²	0	57 Å²	57	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.6	175.9	-53.6	0	0	0	0	110.5	C290 F300 G301 P302 N304 C341 W342 N345 I348	T288-C290 PolarHBondContact O-N 3.31Å; T288-F300 WeakPolarHBondContact O-CA 3.34Å; T288-G301 PolarHBondContact O-N 3.28Å; T288-P302 VanDerWaalsContact CB-O 3.31Å; T288-P302 WeakPolarHBondContact CB-O 3.49Å; T288-P302 PolarHBondContact N-O 3.01Å; T288-P302 PolarHBondContact OG1-O 2.85Å; T288-N304 WeakPolarHBondContact OG1-CA 3.38Å; T288-C341 PolarHBondContact O-SG 3.21Å; T288-C341 VanDerWaalsContact O-SG 3.42Å; T288-W342 PolarHBondContact OG1-NE1 2.85Å; T288-N345 HydrophobicContact CG2-CB 3.95Å; T288-I348 HydrophobicContact CG2-CD1 3.43Å; T288-I348 VanDerWaalsContact CG2-CD1 3.43Å
289	S	89.4	Confident	84.8	Confident	47 Å²	47	60.1 Å²	60.1	33%	0.329	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.9	167.1	-50.8	0	0	0	0	110.5	L287 Y291 N345	L287-S289 PolarHBondContact O-N 3.27Å; S289-Y291 WeakPolarHBondContact O-CD2 3.37Å; S289-N345 PolarHBondContact O-ND2 3Å
290	C	88.8	Confident	84.5	Confident	16 Å²	16	65.5 Å²	65.5	11%	0.108	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	150	176.5	-44.2	0	0	0	0	110.8	T288 S297 T299 G301 C341	T288-C290 PolarHBondContact O-N 3.31Å; C290-S297 PolarHBondContact O-N 3.06Å; C290-T299 PolarHBondContact N-O 3.45Å; C290-T299 PolarHBondContact SG-O 3.45Å; C290-G301 PolarHBondContact SG-N 3.18Å; C290-C341 WeakPolarHBondContact CA-SG 3.46Å; C290-C341 HydrophobicContact CB-CB 4.11Å; C290-C341 WeakPolarHBondContact CB-SG 3.33Å; C290-C341 PolarHBondContact N-SG 3.38Å; C290-C341 WeakPolarHBondContact SG-CB 3.37Å; C290-C341 CovalentContact SG-SG 2.04Å; C290-C341 PolarHBondContact SG-SG 3.38Å
291	Y	86.5	Confident	84.5	Confident	50 Å²	50	64.9 Å²	64.9	20%	0.196	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.2	-178.4	-76.1	-111.7	0	0	0	110.9	S289 T295 P296 S344 N345 P346	S289-Y291 WeakPolarHBondContact O-CD2 3.37Å; Y291-T295 CarbonylContact C-O 3.51Å; Y291-T295 VanDerWaalsContact CA-O 3.28Å; Y291-T295 WeakPolarHBondContact CA-O 3.23Å; Y291-P296 HydrophobicContact CE1-CG 3.99Å; Y291-S344 WeakPolarHBondContact CB-O 3.32Å; Y291-S344 PolarHBondContact N-OG 3.22Å; Y291-S344 VanDerWaalsContact O-CB 3.27Å; Y291-S344 WeakPolarHBondContact O-CB 3.4Å; Y291-N345 HydrophobicContact CD2-CB 4.28Å; Y291-P346 HydrophobicContact CD1-CG 4.41Å; Y291-P346 HydrophobicContact CE1-CG 4.08Å; Y291-P346 HydrophobicContact CE2-CG 4.49Å
292	R	82.4	Confident	84.6	Confident	184 Å²	184	60 Å²	60	69%	0.694	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.7	169	-72.7	-176.4	-176.3	-176.1	2.4	108.5	G294 T295 S297	R292-G294 PolarHBondContact O-N 3.09Å; R292-T295 PolarHBondContact N-O 2.95Å; R292-T295 PolarHBondContact O-N 3.17Å; R292-T295 VanDerWaalsContact O-N 3.08Å; R292-T295 PolarHBondContact O-OG1 3.06Å; R292-S297 WeakPolarHBondContact CD-OG 3.41Å; R292-S297 PolarHBondContact NE-OG 3.46Å
293	G	73.1	Confident	84.9	Confident	92 Å²	92	59.5 Å²	59.5	95%	0.948	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	29.7	179.1	0	0	0	0	0	114.9	T295	G293-T295 VanDerWaalsContact C-N 3.33Å
294	G	71.8	Confident	85	Confident	67 Å²	67	57.6 Å²	57.6	69%	0.691	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-2.2	-178.8	0	0	0	0	0	115.4	R292	R292-G294 PolarHBondContact O-N 3.09Å
295	T	76.9	Confident	85.3	Confident	91 Å²	91	53.2 Å²	53.2	56%	0.558	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.1	174.9	60.6	0	0	0	0	111.5	Y291 R292 G293 S297	Y291-T295 CarbonylContact C-O 3.51Å; Y291-T295 VanDerWaalsContact CA-O 3.28Å; Y291-T295 WeakPolarHBondContact CA-O 3.23Å; R292-T295 PolarHBondContact N-O 2.95Å; R292-T295 PolarHBondContact O-N 3.17Å; R292-T295 VanDerWaalsContact O-N 3.08Å; R292-T295 PolarHBondContact O-OG1 3.06Å; G293-T295 VanDerWaalsContact C-N 3.33Å; T295-S297 PolarHBondContact O-N 2.91Å
296	P	80.5	Confident	85.6	Confident	84 Å²	84	47.3 Å²	47.3	55%	0.545	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	126.4	173.2	-22.4	33.6	0	0	0	111	Y291 G298	Y291-P296 HydrophobicContact CE1-CG 3.99Å; P296-G298 PolarHBondContact O-N 3.09Å
297	S	75.3	Confident	85.6	Confident	36 Å²	36	49.6 Å²	49.6	25%	0.252	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-4.5	-175.9	-171.2	0	0	0	0	113.9	C290 R292 T295 T299	C290-S297 PolarHBondContact O-N 3.06Å; R292-S297 WeakPolarHBondContact CD-OG 3.41Å; R292-S297 PolarHBondContact NE-OG 3.46Å; T295-S297 PolarHBondContact O-N 2.91Å; S297-T299 PolarHBondContact O-N 2.99Å
298	G	77.6	Confident	85.6	Confident	66 Å²	66	53.5 Å²	53.5	68%	0.68	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	73.4	-5.9	-171.1	0	0	0	0	0	114.7	P296	P296-G298 PolarHBondContact O-N 3.09Å
299	T	84.6	Confident	85.7	Confident	67 Å²	67	56.1 Å²	56.1	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	148.2	175.8	60.2	0	0	0	0	111.3	C290 S297	C290-T299 PolarHBondContact N-O 3.45Å; C290-T299 PolarHBondContact SG-O 3.45Å; S297-T299 PolarHBondContact O-N 2.99Å
300	F	87.8	Confident	85.9	Confident	113 Å²	113	54 Å²	54	50%	0.496	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.8	175.8	-62.3	-84.7	0	0	0	110.6	L287 T288	L287-F300 HydrophobicContact CB-CB 3.92Å; L287-F300 HydrophobicContact CB-CD1 3.99Å; L287-F300 HydrophobicContact CB-CG 4.28Å; L287-F300 HydrophobicContact CD1-CB 3.87Å; L287-F300 HydrophobicContact CD1-CG 4.47Å; T288-F300 WeakPolarHBondContact O-CA 3.34Å
301	G	89.4	Confident	86.2	Confident	12 Å²	12	54.5 Å²	54.5	12%	0.124	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-151.2	173.3	0	0	0	0	0	111.8	T288 C290 C341	T288-G301 PolarHBondContact O-N 3.28Å; C290-G301 PolarHBondContact SG-N 3.18Å; G301-C341 VanDerWaalsContact CA-SG 3.6Å; G301-C341 PolarHBondContact N-SG 3.25Å
302	P	92	Very high	86.5	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.078	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	163.4	-179.7	-24	34.1	0	0	0	113.3	P273 T288 N304 V337 D338 W342	P273-P302 HydrophobicContact CB-CB 4.44Å; P273-P302 WeakPolarHBondContact O-CA 3.45Å; P273-P302 WeakPolarHBondContact O-CB 3.26Å; T288-P302 VanDerWaalsContact CB-O 3.31Å; T288-P302 WeakPolarHBondContact CB-O 3.49Å; T288-P302 PolarHBondContact N-O 3.01Å; T288-P302 PolarHBondContact OG1-O 2.85Å; P302-N304 PolarHBondContact O-N 3.34Å; P302-V337 HydrophobicContact CB-CG1 4.21Å; P302-V337 HydrophobicContact CG-CG1 3.95Å; P302-D338 WeakPolarHBondContact CG-O 3.46Å; P302-W342 HydrophobicContact CB-CZ2 3.82Å
303	V	92.8	Very high	87.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.6	139.2	172	175.7	0	0	0	0	110.5	P273 T276 L286 L287 P305 T310 W342 Y368	P273-V303 HydrophobicContact CB-CB 3.87Å; P273-V303 HydrophobicContact CB-CG2 4.42Å; P273-V303 PolarHBondContact O-N 2.93Å; P273-V303 VanDerWaalsContact O-N 3.09Å; T276-V303 HydrophobicContact CG2-CG2 3.75Å; T276-V303 WeakPolarHBondContact OG1-CG2 3.24Å; L286-V303 HydrophobicContact CD1-CG1 3.96Å; L286-V303 HydrophobicContact CG-CG1 4.42Å; L286-V303 HydrophobicContact CG-CG2 4.47Å; L287-V303 HydrophobicContact CD2-CG2 4.17Å; V303-P305 WeakPolarHBondContact O-CD 3.11Å; V303-T310 HydrophobicContact CG1-CG2 3.32Å; V303-W342 PolarHBondContact O-NE1 3.05Å; V303-Y368 HydrophobicContact CG1-CE2 3.94Å
304	N	92.6	Very high	88.1	Confident	15 Å²	15	46 Å²	46	8%	0.08	29%	0.292	C	S	.	.			trans	-82.1	109.1	179.5	-173.9	-13.1	0	0	0	110.7	L286 T288 P302 T306 L307 T310	L286-N304 PolarHBondContact O-N 2.89Å; T288-N304 WeakPolarHBondContact OG1-CA 3.38Å; P302-N304 PolarHBondContact O-N 3.34Å; N304-T306 VanDerWaalsContact C-N 3.27Å; N304-T306 PolarHBondContact O-N 3.18Å; N304-T306 WeakPolarHBondContact OD1-CB 3.38Å; N304-T306 PolarHBondContact OD1-N 3.39Å; N304-T306 PolarHBondContact OD1-OG1 3.16Å; N304-L307 HydrophobicContact CB-CD1 4.35Å; N304-L307 WeakPolarHBondContact ND2-CD1 3.46Å; N304-T310 WeakPolarHBondContact O-CB 3.16Å; N304-T310 WeakPolarHBondContact O-CG2 3.45Å; N304-T310 PolarHBondContact O-OG1 2.6Å
305	P	91.7	Very high	89.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.9	-175.9	36	-36.1	0	0	0	113.1	V303 Y311 W342 L364 Y368	V303-P305 WeakPolarHBondContact O-CD 3.11Å; P305-Y311 WeakPolarHBondContact O-CE2 3.35Å; P305-Y311 PolarHBondContact O-OH 2.89Å; P305-W342 HydrophobicContact CG-CZ2 4.14Å; P305-L364 HydrophobicContact CB-CD1 4.45Å; P305-L364 HydrophobicContact CG-CD1 3.81Å; P305-L364 HydrophobicContact CG-CD2 3.74Å; P305-L364 HydrophobicContact CG-CG 3.6Å; P305-Y368 HydrophobicContact CB-CD2 3.91Å; P305-Y368 HydrophobicContact CB-CG 4.26Å
306	T	91.4	Very high	90	Very high	26 Å²	26	42.1 Å²	42.1	16%	0.16	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-16.1	-175.1	68.8	0	0	0	0	113.2	N304 I348 F351	N304-T306 VanDerWaalsContact C-N 3.27Å; N304-T306 PolarHBondContact O-N 3.18Å; N304-T306 WeakPolarHBondContact OD1-CB 3.38Å; N304-T306 PolarHBondContact OD1-N 3.39Å; N304-T306 PolarHBondContact OD1-OG1 3.16Å; T306-I348 HydrophobicContact CG2-CB 4.4Å; T306-I348 HydrophobicContact CG2-CG1 3.91Å; T306-I348 HydrophobicContact CG2-CG2 4.44Å; T306-F351 HydrophobicContact CG2-CB 3.62Å; T306-F351 HydrophobicContact CG2-CD1 3.66Å; T306-F351 HydrophobicContact CG2-CD2 4.15Å; T306-F351 HydrophobicContact CG2-CE1 4.33Å; T306-F351 HydrophobicContact CG2-CG 3.54Å
307	L	91.6	Very high	90.7	Very high	52 Å²	52	38.1 Å²	38.1	27%	0.272	24%	0.235	S	C	.	.			trans	-93.6	131.7	-175.3	-60.8	177.9	0	0	0	111.2	N304 S309 T310 Y311	N304-L307 HydrophobicContact CB-CD1 4.35Å; N304-L307 WeakPolarHBondContact ND2-CD1 3.46Å; L307-S309 PolarHBondContact O-N 3.23Å; L307-T310 WeakPolarHBondContact O-CB 3.48Å; L307-T310 PolarHBondContact O-N 3.29Å; L307-Y311 WeakPolarHBondContact O-CD2 3.39Å
308	P	91.4	Very high	91.6	Very high	93 Å²	93	36.5 Å²	36.5	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-61.7	-31.7	172.3	-24.1	34.6	0	0	0	113.4	T310 Y311 Q312	P308-T310 VanDerWaalsContact C-N 3.27Å; P308-T310 PolarHBondContact O-N 3.17Å; P308-Y311 PolarHBondContact O-N 3.2Å; P308-Q312 PolarHBondContact O-N 3.01Å
309	S	93.1	Very high	92.5	Very high	54 Å²	54	39.3 Å²	39.3	38%	0.378	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-37.3	178.3	50.4	0	0	0	0	112.2	L307 Y311 Q312 F313	L307-S309 PolarHBondContact O-N 3.23Å; S309-Y311 VanDerWaalsContact C-N 3.34Å; S309-Y311 PolarHBondContact O-N 2.81Å; S309-Q312 PolarHBondContact O-N 2.82Å; S309-F313 WeakPolarHBondContact O-CB 3.33Å; S309-F313 PolarHBondContact O-N 2.88Å
310	T	93.4	Very high	93	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-53.8	-49.5	174.2	-59.5	0	0	0	0	111.4	L286 V303 N304 L307 P308 Q312 F313 M314 Y368	L286-T310 HydrophobicContact CD1-CG2 4.02Å; V303-T310 HydrophobicContact CG1-CG2 3.32Å; N304-T310 WeakPolarHBondContact O-CB 3.16Å; N304-T310 WeakPolarHBondContact O-CG2 3.45Å; N304-T310 PolarHBondContact O-OG1 2.6Å; L307-T310 WeakPolarHBondContact O-CB 3.48Å; L307-T310 PolarHBondContact O-N 3.29Å; P308-T310 VanDerWaalsContact C-N 3.27Å; P308-T310 PolarHBondContact O-N 3.17Å; T310-Q312 PolarHBondContact O-N 3.27Å; T310-F313 PolarHBondContact O-N 3.04Å; T310-M314 VanDerWaalsContact O-CG 3.31Å; T310-M314 WeakPolarHBondContact O-CG 3.36Å; T310-M314 PolarHBondContact O-N 3.33Å; T310-Y368 HydrophobicContact CG2-CE2 4.14Å
311	Y	94	Very high	93.3	Very high	28 Å²	28	31.1 Å²	31.1	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-71.7	-31.6	-177.6	-59.9	-70.5	0	0	0	112.7	P305 L307 P308 S309 A315 F367 Y368 K371 I372	P305-Y311 WeakPolarHBondContact O-CE2 3.35Å; P305-Y311 PolarHBondContact O-OH 2.89Å; L307-Y311 WeakPolarHBondContact O-CD2 3.39Å; P308-Y311 PolarHBondContact O-N 3.2Å; S309-Y311 VanDerWaalsContact C-N 3.34Å; S309-Y311 PolarHBondContact O-N 2.81Å; Y311-A315 VanDerWaalsContact O-CB 3.23Å; Y311-A315 WeakPolarHBondContact O-CB 3.31Å; Y311-A315 PolarHBondContact O-N 2.97Å; Y311-F367 WeakPolarHBondContact OH-CE1 3.48Å; Y311-Y368 AromaticContact CE1-CD2 3.85Å; Y311-Y368 HydrophobicContact CE1-CD2 3.85Å; Y311-Y368 HydrophobicContact CE1-CE2 4.27Å; Y311-K371 HydrophobicContact CD1-CB 3.87Å; Y311-K371 HydrophobicContact CD1-CD 3.93Å; Y311-K371 HydrophobicContact CD2-CD 4.25Å; Y311-K371 HydrophobicContact CE1-CB 3.55Å; Y311-K371 HydrophobicContact CE1-CD 3.41Å; Y311-K371 VanDerWaalsContact CE1-CD 3.41Å; Y311-K371 HydrophobicContact CE1-CG 4.14Å; Y311-K371 HydrophobicContact CE2-CD 3.75Å; Y311-K371 HydrophobicContact CG-CD 4.32Å; Y311-K371 WeakPolarHBondContact OH-CD 3.43Å; Y311-I372 HydrophobicContact CD1-CD1 4.13Å; Y311-I372 HydrophobicContact CE1-CD1 4.42Å
312	Q	93.4	Very high	93.5	Very high	134 Å²	134	31.4 Å²	31.4	63%	0.626	18%	0.176	S	C	*	.	H	α-helix	trans	-67.3	-41.1	173.8	-68.5	174.4	-8.4	0	0	111.7	P308 S309 T310 S316	P308-Q312 PolarHBondContact O-N 3.01Å; S309-Q312 PolarHBondContact O-N 2.82Å; T310-Q312 PolarHBondContact O-N 3.27Å; Q312-S316 WeakPolarHBondContact O-CB 3.35Å; Q312-S316 PolarHBondContact O-N 3.03Å; Q312-S316 VanDerWaalsContact O-N 3.07Å; Q312-S316 PolarHBondContact O-OG 3.34Å
313	F	94.3	Very high	93.6	Very high	11 Å²	11	35.3 Å²	35.3	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-54.1	173	169.1	-96.5	0	0	0	110.8	F231 L234 W279 Q283 L286 S309 T310 A315 S316 L317	F231-F313 HydrophobicContact CD1-CD2 4.12Å; F231-F313 AromaticContact CD1-CE2 3.96Å; F231-F313 HydrophobicContact CD1-CE2 3.96Å; F231-F313 HydrophobicContact CD2-CD2 4.21Å; F231-F313 AromaticContact CD2-CE2 3.79Å; F231-F313 HydrophobicContact CD2-CE2 3.79Å; F231-F313 AromaticContact CE1-CD2 3.74Å; F231-F313 HydrophobicContact CE1-CD2 3.74Å; F231-F313 HydrophobicContact CE1-CE2 4.05Å; F231-F313 AromaticContact CE2-CD2 3.83Å; F231-F313 HydrophobicContact CE2-CD2 3.83Å; F231-F313 AromaticContact CE2-CE2 3.87Å; F231-F313 HydrophobicContact CE2-CE2 3.87Å; F231-F313 HydrophobicContact CG-CD2 4.35Å; F231-F313 AromaticContact CG-CE2 3.83Å; F231-F313 HydrophobicContact CG-CE2 3.83Å; F231-F313 AromaticContact CZ-CD2 3.58Å; F231-F313 HydrophobicContact CZ-CD2 3.58Å; F231-F313 HydrophobicContact CZ-CE2 4.01Å; L234-F313 HydrophobicContact CD1-CE2 4.1Å; L234-F313 HydrophobicContact CD1-CZ 3.84Å; L234-F313 HydrophobicContact CD2-CE2 4.39Å; L234-F313 HydrophobicContact CD2-CZ 4.05Å; W279-F313 HydrophobicContact CE3-CE1 4.06Å; W279-F313 HydrophobicContact CE3-CZ 4.41Å; W279-F313 HydrophobicContact CZ3-CE1 4.25Å; Q283-F313 HydrophobicContact CB-CE2 4.1Å; Q283-F313 HydrophobicContact CB-CZ 4.35Å; Q283-F313 HydrophobicContact CG-CD2 3.85Å; Q283-F313 HydrophobicContact CG-CE2 3.89Å; Q283-F313 HydrophobicContact CG-CG 4.3Å; Q283-F313 HydrophobicContact CG-CZ 4.38Å; L286-F313 HydrophobicContact CD1-CD1 3.77Å; L286-F313 HydrophobicContact CD1-CE1 4.17Å; L286-F313 HydrophobicContact CD1-CG 4.5Å; L286-F313 HydrophobicContact CD2-CD1 4.14Å; L286-F313 HydrophobicContact CD2-CE1 3.68Å; L286-F313 HydrophobicContact CD2-CZ 4.21Å; S309-F313 WeakPolarHBondContact O-CB 3.33Å; S309-F313 PolarHBondContact O-N 2.88Å; T310-F313 PolarHBondContact O-N 3.04Å; F313-A315 VanDerWaalsContact C-N 3.33Å; F313-A315 PolarHBondContact O-N 3.23Å; F313-S316 WeakPolarHBondContact O-CB 3.45Å; F313-S316 PolarHBondContact O-N 3.07Å; F313-L317 HydrophobicContact CE1-CD2 4.13Å; F313-L317 HydrophobicContact CZ-CD2 4.13Å; F313-L317 PolarHBondContact O-N 3.19Å
314	M	94.4	Very high	93.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-41.3	-180	-68.3	-58.5	-71.8	0	0	112.1	W279 T310 S316 L317 L318 I372	W279-M314 HydrophobicContact CH2-CE 4.43Å; W279-M314 HydrophobicContact CZ3-CE 4.24Å; W279-M314 HydrophobicContact CZ3-SD 3.91Å; T310-M314 VanDerWaalsContact O-CG 3.31Å; T310-M314 WeakPolarHBondContact O-CG 3.36Å; T310-M314 PolarHBondContact O-N 3.33Å; M314-S316 VanDerWaalsContact C-N 3.31Å; M314-S316 PolarHBondContact O-N 3.42Å; M314-L317 PolarHBondContact O-N 2.92Å; M314-L318 VanDerWaalsContact O-CB 3.26Å; M314-L318 WeakPolarHBondContact O-CB 3.44Å; M314-L318 VanDerWaalsContact O-CG 3.27Å; M314-L318 WeakPolarHBondContact O-CG 3.31Å; M314-L318 PolarHBondContact O-N 2.9Å; M314-I372 HydrophobicContact CB-CD1 3.72Å; M314-I372 HydrophobicContact CE-CD1 4.37Å; M314-I372 HydrophobicContact CG-CD1 3.88Å
315	A	94.4	Very high	93.9	Very high	33 Å²	33	35.7 Å²	35.7	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-38.1	175	0	0	0	0	0	112.7	Y311 F313 K319 I375	Y311-A315 VanDerWaalsContact O-CB 3.23Å; Y311-A315 WeakPolarHBondContact O-CB 3.31Å; Y311-A315 PolarHBondContact O-N 2.97Å; F313-A315 VanDerWaalsContact C-N 3.33Å; F313-A315 PolarHBondContact O-N 3.23Å; A315-K319 WeakPolarHBondContact O-CB 3.49Å; A315-K319 PolarHBondContact O-N 2.03Å; A315-I375 HydrophobicContact CB-CD1 4.18Å; A315-I375 HydrophobicContact CB-CG1 4.46Å; A315-I375 HydrophobicContact CB-CG2 3.92Å
316	S	95.1	Very high	93.9	Very high	45 Å²	45	38 Å²	38	32%	0.315	22%	0.222	S	C	.	.	H	α-helix	trans	-70.8	-40.5	179.1	-64.8	0	0	0	0	112.4	K230 Q312 F313 M314 E320	K230-S316 PolarHBondContact NZ-O 3.49Å; Q312-S316 WeakPolarHBondContact O-CB 3.35Å; Q312-S316 PolarHBondContact O-N 3.03Å; Q312-S316 VanDerWaalsContact O-N 3.07Å; Q312-S316 PolarHBondContact O-OG 3.34Å; F313-S316 WeakPolarHBondContact O-CB 3.45Å; F313-S316 PolarHBondContact O-N 3.07Å; M314-S316 VanDerWaalsContact C-N 3.31Å; M314-S316 PolarHBondContact O-N 3.42Å; S316-E320 PolarHBondContact O-N 3.23Å
317	L	94.5	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-52.2	176.5	-178.5	66.3	0	0	0	111	F231 L234 W279 F313 M314 K319 E320 V321	F231-L317 HydrophobicContact CD2-CD1 4.45Å; F231-L317 HydrophobicContact CE2-CB 4.34Å; L234-L317 HydrophobicContact CD1-CD1 4.31Å; W279-L317 HydrophobicContact CE3-CD2 4.26Å; W279-L317 HydrophobicContact CH2-CD2 4.13Å; W279-L317 HydrophobicContact CZ3-CD2 3.51Å; F313-L317 HydrophobicContact CE1-CD2 4.13Å; F313-L317 HydrophobicContact CZ-CD2 4.13Å; F313-L317 PolarHBondContact O-N 3.19Å; M314-L317 PolarHBondContact O-N 2.92Å; L317-K319 PolarHBondContact O-N 2.83Å; L317-E320 WeakPolarHBondContact O-CA 3.48Å; L317-E320 VanDerWaalsContact O-CB 3.31Å; L317-E320 WeakPolarHBondContact O-CB 3.24Å; L317-E320 PolarHBondContact O-N 2.94Å; L317-V321 WeakPolarHBondContact O-CG2 3.48Å; L317-V321 PolarHBondContact O-N 2.91Å
318	L	94.6	Very high	94	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-31	179.1	-69.2	172.4	0	0	0	112.4	M314 E320 V321 A322 I330 L332 I372 I375 T376 L379	M314-L318 VanDerWaalsContact O-CB 3.26Å; M314-L318 WeakPolarHBondContact O-CB 3.44Å; M314-L318 VanDerWaalsContact O-CG 3.27Å; M314-L318 WeakPolarHBondContact O-CG 3.31Å; M314-L318 PolarHBondContact O-N 2.9Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-V321 PolarHBondContact O-N 3.36Å; L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 2.91Å; L318-I330 HydrophobicContact CD2-CG2 4.47Å; L318-L332 HydrophobicContact CD2-CD2 4.34Å; L318-I372 HydrophobicContact CD1-CG2 3.78Å; L318-I375 HydrophobicContact CD1-CG2 4.21Å; L318-T376 HydrophobicContact CD1-CG2 3.97Å; L318-L379 HydrophobicContact CB-CD1 4Å
319	K	95.6	Very high	94.1	Very high	125 Å²	125	33.4 Å²	33.4	54%	0.543	19%	0.192	S	C	.	.	H	α-helix	trans	-64	-37.6	170.9	-178.8	174.7	-179.8	178.6	0	112.2	A315 L317 S323 L379	A315-K319 WeakPolarHBondContact O-CB 3.49Å; A315-K319 PolarHBondContact O-N 2.03Å; L317-K319 PolarHBondContact O-N 2.83Å; K319-S323 PolarHBondContact O-N 3.42Å; K319-L379 HydrophobicContact CB-CD1 4.43Å; K319-L379 HydrophobicContact CB-CD2 4.08Å; K319-L379 HydrophobicContact CG-CD2 4.16Å
320	E	95.2	Very high	94.3	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-50	174	-176.4	178.1	120.5	0	0	110.4	Y226 S228 Q229 K230 S316 L317 L318 A322 S323 V324	Y226-E320 PolarHBondContact OH-OE1 3.01Å; S228-E320 WeakPolarHBondContact CA-OE1 3.49Å; S228-E320 WeakPolarHBondContact CB-OE1 3.44Å; S228-E320 VanDerWaalsContact OG-CD 3.26Å; S228-E320 PolarHBondContact OG-OE1 3.07Å; S228-E320 PolarHBondContact OG-OE2 2.83Å; S228-E320 VanDerWaalsContact OG-OE2 3.13Å; Q229-E320 PolarHBondContact N-OE1 3.07Å; Q229-E320 PolarHBondContact N-OE2 2.9Å; K230-E320 WeakPolarHBondContact CB-OE2 3.43Å; K230-E320 WeakPolarHBondContact CG-OE2 3.15Å; K230-E320 PolarHBondContact N-OE2 3.3Å; S316-E320 PolarHBondContact O-N 3.23Å; L317-E320 WeakPolarHBondContact O-CA 3.48Å; L317-E320 VanDerWaalsContact O-CB 3.31Å; L317-E320 WeakPolarHBondContact O-CB 3.24Å; L317-E320 PolarHBondContact O-N 2.94Å; L318-E320 VanDerWaalsContact C-N 3.32Å; E320-A322 VanDerWaalsContact C-N 3.32Å; E320-A322 PolarHBondContact O-N 3.12Å; E320-S323 WeakPolarHBondContact O-CA 3.4Å; E320-S323 WeakPolarHBondContact O-CB 3.29Å; E320-S323 PolarHBondContact O-N 3.45Å; E320-S323 PolarHBondContact O-OG 3.45Å; E320-V324 HydrophobicContact CG-CG2 4.35Å; E320-V324 WeakPolarHBondContact O-CG2 2.96Å; E320-V324 PolarHBondContact O-N 2.89Å
321	V	94.9	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-46.8	177.2	175.9	0	0	0	0	111.1	P268 F270 L317 L318 S323 V324 F325 I330	P268-V321 HydrophobicContact CB-CG1 4.27Å; P268-V321 HydrophobicContact CG-CG1 3.94Å; F270-V321 HydrophobicContact CD2-CG1 3.98Å; F270-V321 HydrophobicContact CD2-CG2 3.9Å; F270-V321 HydrophobicContact CE1-CG2 4.33Å; F270-V321 HydrophobicContact CE2-CB 4.27Å; F270-V321 HydrophobicContact CE2-CG1 3.71Å; F270-V321 HydrophobicContact CE2-CG2 3.45Å; F270-V321 VanDerWaalsContact CE2-CG2 3.45Å; F270-V321 HydrophobicContact CZ-CG2 3.7Å; L317-V321 WeakPolarHBondContact O-CG2 3.48Å; L317-V321 PolarHBondContact O-N 2.91Å; L318-V321 PolarHBondContact O-N 3.36Å; V321-S323 PolarHBondContact O-N 3Å; V321-V324 PolarHBondContact O-N 2.99Å; V321-V324 VanDerWaalsContact O-N 3.14Å; V321-F325 HydrophobicContact CG1-CD2 3.74Å; V321-F325 HydrophobicContact CG1-CE2 4.24Å; V321-F325 WeakPolarHBondContact O-CD2 3.44Å; V321-F325 PolarHBondContact O-N 3.11Å; V321-I330 HydrophobicContact CG1-CD1 4.31Å
322	A	94.1	Very high	94.4	Very high	18 Å²	18	29.5 Å²	29.5	15%	0.149	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-25.7	178	0	0	0	0	0	113.6	L318 E320 I330 L379 K381	L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 2.91Å; E320-A322 VanDerWaalsContact C-N 3.32Å; E320-A322 PolarHBondContact O-N 3.12Å; A322-I330 HydrophobicContact CB-CD1 4.28Å; A322-L379 HydrophobicContact CB-CB 4.39Å; A322-L379 HydrophobicContact CB-CD1 4.25Å; A322-K381 HydrophobicContact CB-CG 4.05Å; A322-K381 WeakPolarHBondContact O-CE 3.48Å
323	S	93.9	Very high	94.4	Very high	94 Å²	94	23.1 Å²	23.1	66%	0.657	14%	0.139	S	C	*	.	H	α-helix	trans	-84.9	-30.7	175.6	74.1	0	0	0	0	113.3	K319 E320 V321	K319-S323 PolarHBondContact O-N 3.42Å; E320-S323 WeakPolarHBondContact O-CA 3.4Å; E320-S323 WeakPolarHBondContact O-CB 3.29Å; E320-S323 PolarHBondContact O-N 3.45Å; E320-S323 PolarHBondContact O-OG 3.45Å; V321-S323 PolarHBondContact O-N 3Å
324	V	94.8	Very high	94	Very high	21 Å²	21	22.6 Å²	22.6	13%	0.127	14%	0.137	C	C	.	.	H	α-helix	trans	-81.4	-42	180	173.4	0	0	0	0	110.9	V252 I256 E320 V321	V252-V324 HydrophobicContact CG1-CG1 3.64Å; I256-V324 WeakPolarHBondContact CD1-O 3.07Å; E320-V324 HydrophobicContact CG-CG2 4.35Å; E320-V324 WeakPolarHBondContact O-CG2 2.96Å; E320-V324 PolarHBondContact O-N 2.89Å; V321-V324 PolarHBondContact O-N 2.99Å; V321-V324 VanDerWaalsContact O-N 3.14Å
325	F	95.1	Very high	93.6	Very high	2 Å²	2	23 Å²	23	1%	0.009	14%	0.139	C	C	.	.			trans	-98.6	115.7	-177.2	-66	-90.5	0	0	0	110.7	W216 L218 Y226 V252 I256 V266 P268 F270 V321 D327 K381	W216-F325 HydrophobicContact CE3-CE1 4.34Å; L218-F325 HydrophobicContact CD1-CZ 4.14Å; Y226-F325 HydrophobicContact CE2-CE2 4.22Å; V252-F325 HydrophobicContact CG1-CE1 3.85Å; V252-F325 HydrophobicContact CG1-CE2 4.18Å; V252-F325 HydrophobicContact CG1-CZ 3.56Å; I256-F325 HydrophobicContact CD1-CD1 3.77Å; I256-F325 HydrophobicContact CD1-CE1 4.05Å; I256-F325 HydrophobicContact CD1-CG 4.35Å; I256-F325 HydrophobicContact CG1-CD1 4.29Å; I256-F325 HydrophobicContact CG1-CE1 4.45Å; V266-F325 HydrophobicContact CG1-CD1 4.01Å; V266-F325 HydrophobicContact CG1-CE1 3.89Å; P268-F325 HydrophobicContact CB-CD1 3.9Å; P268-F325 HydrophobicContact CB-CD2 3.92Å; P268-F325 HydrophobicContact CB-CE1 3.9Å; P268-F325 HydrophobicContact CB-CE2 3.91Å; P268-F325 HydrophobicContact CB-CG 3.92Å; P268-F325 HydrophobicContact CB-CZ 3.9Å; P268-F325 HydrophobicContact CG-CB 3.82Å; P268-F325 HydrophobicContact CG-CD1 3.87Å; P268-F325 HydrophobicContact CG-CD2 3.86Å; P268-F325 HydrophobicContact CG-CE1 4.39Å; P268-F325 HydrophobicContact CG-CE2 4.37Å; P268-F325 HydrophobicContact CG-CG 3.57Å; F270-F325 HydrophobicContact CE2-CE2 4.49Å; V321-F325 HydrophobicContact CG1-CD2 3.74Å; V321-F325 HydrophobicContact CG1-CE2 4.24Å; V321-F325 WeakPolarHBondContact O-CD2 3.44Å; V321-F325 PolarHBondContact O-N 3.11Å; F325-D327 VanDerWaalsContact C-N 3.29Å; F325-D327 PolarHBondContact O-N 2.63Å; F325-K381 PolarHBondContact O-NZ 2.91Å
326	P	92.4	Very high	93.1	Very high	49 Å²	49	27 Å²	27	32%	0.318	15%	0.152	S	C	.	.			trans	-74.1	-19.3	-176.3	28.3	-33.3	0	0	0	113	Y117 I256 K381	Y117-P326 HydrophobicContact CD1-CB 4.11Å; Y117-P326 HydrophobicContact CD1-CG 3.55Å; Y117-P326 HydrophobicContact CD2-CB 3.85Å; Y117-P326 HydrophobicContact CD2-CG 4.18Å; Y117-P326 HydrophobicContact CE1-CB 4.18Å; Y117-P326 HydrophobicContact CE1-CG 3.45Å; Y117-P326 VanDerWaalsContact CE1-CG 3.45Å; Y117-P326 HydrophobicContact CE2-CB 3.92Å; Y117-P326 HydrophobicContact CE2-CG 4.09Å; Y117-P326 HydrophobicContact CG-CB 3.94Å; Y117-P326 HydrophobicContact CG-CG 3.92Å; I256-P326 HydrophobicContact CG2-CG 3.85Å; P326-K381 PolarHBondContact O-NZ 3.21Å
327	D	93.6	Very high	92.7	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.032	14%	0.142	C	C	.	.	S	Bend	trans	-57.7	136.8	-177.3	-164.6	76.9	0	0	0	111.8	R265 V266 F325 Y329 K381	R265-D327 WeakPolarHBondContact CB-OD1 3.04Å; R265-D327 IonicContact CZ-OD1 3.81Å; R265-D327 IonicContact CZ-OD2 2.73Å; R265-D327 IonicContact NE-OD1 3.03Å; R265-D327 PolarHBondContact NE-OD1 2.86Å; R265-D327 IonicContact NE-OD2 3.8Å; R265-D327 IonicContact NH2-OD1 3.39Å; R265-D327 PolarHBondContact NH2-OD1 2.98Å; R265-D327 VanDerWaalsContact NH2-OD1 3.08Å; R265-D327 IonicContact NH2-OD2 3.53Å; R265-D327 PolarHBondContact NH2-OD2 3.35Å; V266-D327 WeakPolarHBondContact O-CB 3.18Å; F325-D327 VanDerWaalsContact C-N 3.29Å; F325-D327 PolarHBondContact O-N 2.63Å; D327-Y329 PolarHBondContact O-N 2.89Å; D327-Y329 WeakPolarHBondContact OD2-CB 3.25Å; D327-Y329 PolarHBondContact OD2-N 3Å; D327-K381 WeakPolarHBondContact O-CD 3.49Å; D327-K381 PolarHBondContact O-NZ 3.46Å
328	P	91.9	Very high	92.3	Very high	48 Å²	48	30 Å²	30	31%	0.312	17%	0.165	S	C	.	.	S	Bend	trans	-68	-11.6	-179.4	23	-29.9	0	0	0	113.6	K381 T382	P328-K381 CarbonylContact O-C 3.54Å; P328-K381 WeakPolarHBondContact O-CA 3.4Å; P328-T382 PolarHBondContact O-N 2.79Å
329	Y	94.3	Very high	92	Very high	20 Å²	20	32.3 Å²	32.3	8%	0.078	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	149.7	179.4	-60.5	-96.7	0	0	0	112.1	Q120 D327 T382 I384 V401 R423	Q120-Y329 HydrophobicContact CB-CE2 4.17Å; Q120-Y329 PolarHBondContact OE1-OH 2.97Å; D327-Y329 PolarHBondContact O-N 2.89Å; D327-Y329 WeakPolarHBondContact OD2-CB 3.25Å; D327-Y329 PolarHBondContact OD2-N 3Å; Y329-T382 VanDerWaalsContact CA-O 3.24Å; Y329-T382 WeakPolarHBondContact CA-O 3.46Å; Y329-T382 HydrophobicContact CD1-CG2 3.81Å; Y329-T382 HydrophobicContact CE1-CG2 3.56Å; Y329-I384 HydrophobicContact CD1-CD1 3.99Å; Y329-I384 HydrophobicContact CD1-CG1 3.9Å; Y329-I384 HydrophobicContact CG-CD1 4.17Å; Y329-I384 HydrophobicContact CG-CG1 4.49Å; Y329-V401 HydrophobicContact CD1-CG2 4.46Å; Y329-V401 HydrophobicContact CE1-CG2 4.02Å; Y329-R423 PolarHBondContact OH-NH1 3.26Å; Y329-R423 PolarHBondContact OH-NH2 3.1Å
330	I	95.6	Very high	91.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.8	168.7	-62.7	177.5	0	0	0	106.8	P268 L318 V321 A322 L332 K381 T382 S383 I384	P268-I330 HydrophobicContact CG-CG1 4.49Å; L318-I330 HydrophobicContact CD2-CG2 4.47Å; V321-I330 HydrophobicContact CG1-CD1 4.31Å; A322-I330 HydrophobicContact CB-CD1 4.28Å; I330-L332 HydrophobicContact CG2-CD2 3.96Å; I330-K381 HydrophobicContact CD1-CB 3.98Å; I330-K381 HydrophobicContact CD1-CD 4.46Å; I330-K381 HydrophobicContact CD1-CG 3.86Å; I330-K381 HydrophobicContact CG1-CB 4.23Å; I330-K381 HydrophobicContact CG1-CG 4.35Å; I330-T382 PolarHBondContact N-O 3.28Å; I330-S383 WeakPolarHBondContact O-CA 3.45Å; I330-I384 PolarHBondContact O-N 3.36Å
331	H	96.8	Very high	91.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124	172.9	-157.6	-73.6	0	0	0	108.8	H215 L267 P268 E269 F270 G333 I384 W386 E403	H215-H331 AromaticContact CE1-CD2 3.44Å; H215-H331 PolarHBondContact CE1-CD2 3.04Å; H215-H331 VanDerWaalsContact CE1-CD2 3.44Å; H215-H331 AromaticContact CE1-CG 3.6Å; H215-H331 AromaticContact CE1-NE2 3.99Å; H215-H331 WeakPolarHBondContact NE2-CB 3.16Å; H215-H331 AromaticContact NE2-CD2 3.65Å; H215-H331 AromaticContact NE2-CG 3.37Å; L267-H331 HydrophobicContact CD1-CB 4.38Å; L267-H331 HydrophobicContact CD2-CB 4.41Å; L267-H331 HydrophobicContact CG-CB 4.33Å; P268-H331 PolarHBondContact O-N 3.15Å; E269-H331 WeakPolarHBondContact CA-O 3.39Å; E269-H331 HydrophobicContact CB-CB 3.81Å; E269-H331 VanDerWaalsContact CD-ND1 3.26Å; E269-H331 HydrophobicContact CG-CB 3.87Å; E269-H331 IonicContact OE1-CE1 3.36Å; E269-H331 PolarHBondContact OE1-CE1 2.94Å; E269-H331 VanDerWaalsContact OE1-CE1 3.31Å; E269-H331 IonicContact OE1-CG 3.18Å; E269-H331 IonicContact OE1-ND1 3.93Å; E269-H331 PolarHBondContact OE1-ND1 3.24Å; F270-H331 PolarHBondContact N-O 2.93Å; H331-G333 PolarHBondContact ND1-N 3.33Å; H331-I384 WeakPolarHBondContact CD2-CG2 2.87Å; H331-I384 WeakPolarHBondContact NE2-CG2 3.42Å; H331-W386 AromaticContact CE1-CD1 3.63Å; H331-W386 AromaticContact CE1-CD2 3.76Å; H331-W386 AromaticContact CE1-CE2 3.47Å; H331-W386 VanDerWaalsContact CE1-CE2 3.47Å; H331-W386 AromaticContact CE1-CG 3.83Å; H331-W386 AromaticContact CE1-NE1 3.35Å; H331-W386 PolarHBondContact CE1-NE1 2.87Å; H331-W386 AromaticContact ND1-NE1 3.94Å; H331-E403 IonicContact CD2-OE2 3.68Å; H331-E403 IonicContact NE2-OE2 3.97Å; H331-E403 PolarHBondContact NE2-OE2 3.39Å
332	L	94.2	Very high	91.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	18%	0.175	C	C	.	.			trans	-97.4	-3.9	-177.8	-59	-179.7	0	0	0	113.1	S272 L318 I330 G334 I372 V373 T376 S383 I384 V385	S272-L332 PolarHBondContact N-O 3.37Å; L318-L332 HydrophobicContact CD2-CD2 4.34Å; I330-L332 HydrophobicContact CG2-CD2 3.96Å; L332-G334 PolarHBondContact O-N 2.96Å; L332-I372 HydrophobicContact CD1-CG2 3.9Å; L332-I372 HydrophobicContact CD2-CG2 4.02Å; L332-I372 HydrophobicContact CG-CG2 4.49Å; L332-V373 HydrophobicContact CD1-CG2 3.81Å; L332-T376 HydrophobicContact CD1-CG2 4.17Å; L332-T376 HydrophobicContact CD2-CG2 3.83Å; L332-S383 VanDerWaalsContact CD1-CB 3.46Å; L332-I384 PolarHBondContact N-O 3.31Å; L332-V385 HydrophobicContact CB-CG1 4.35Å
333	G	92.1	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.			trans	65	-120.1	-174.5	0	0	0	0	0	111.1	E269 D271 H331 W386	E269-G333 WeakPolarHBondContact OE1-CA 3.46Å; D271-G333 VanDerWaalsContact OD1-CA 3.29Å; D271-G333 WeakPolarHBondContact OD1-CA 3.1Å; H331-G333 PolarHBondContact ND1-N 3.33Å; G333-W386 VanDerWaalsContact C-CD1 3.48Å; G333-W386 PolarHBondContact O-N 3.31Å
334	G	87.5	Confident	90.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.			trans	90.8	28.6	178.7	0	0	0	0	0	113.2	D271 L332 D388 V389	D271-G334 PolarHBondContact OD1-N 3.48Å; L332-G334 PolarHBondContact O-N 2.96Å; G334-D388 WeakPolarHBondContact O-CB 3.28Å; G334-V389 WeakPolarHBondContact O-CG2 3.28Å
335	D	85.6	Confident	90.7	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.043	17%	0.172	C	C	.	.			trans	-97.4	160.7	175.8	59.1	-49.8	0	0	0	113.1	H275 V337 W386 W405	H275-D335 IonicContact NE2-OD2 3.71Å; D335-V337 VanDerWaalsContact C-N 3.29Å; D335-V337 PolarHBondContact O-N 3.33Å; D335-W386 HydrophobicContact CB-CB 3.87Å; D335-W386 HydrophobicContact CB-CG 3.9Å; D335-W386 PolarHBondContact OD1-NE1 3.47Å; D335-W405 HydrophobicContact CB-CZ2 4.34Å
336	E	83.2	Confident	90.5	Very high	119 Å²	119	35.7 Å²	35.7	56%	0.556	19%	0.19	S	C	*	.			trans	45.5	38.9	168.5	-56.7	-158.9	139.7	0	0	117	D338 W405	E336-D338 PolarHBondContact O-N 2.91Å; E336-D338 VanDerWaalsContact O-N 3.12Å; E336-W405 HydrophobicContact CG-CH2 3.93Å; E336-W405 HydrophobicContact CG-CZ2 3.89Å; E336-W405 WeakPolarHBondContact OE1-CH2 3.36Å
337	V	86	Confident	90.4	Very high	15 Å²	15	41.1 Å²	41.1	9%	0.091	21%	0.205	C	C	.	.			trans	-71.9	110.7	-178.9	-174.8	0	0	0	0	111.9	P273 P302 D335 F339 W342 E365	P273-V337 HydrophobicContact CG-CG1 4.21Å; P273-V337 HydrophobicContact CG-CG2 3.85Å; P302-V337 HydrophobicContact CB-CG1 4.21Å; P302-V337 HydrophobicContact CG-CG1 3.95Å; D335-V337 VanDerWaalsContact C-N 3.29Å; D335-V337 PolarHBondContact O-N 3.33Å; V337-F339 HydrophobicContact CB-CD1 4.47Å; V337-F339 HydrophobicContact CB-CE1 3.91Å; V337-F339 HydrophobicContact CG1-CD1 3.94Å; V337-F339 HydrophobicContact CG1-CE1 3.72Å; V337-F339 WeakPolarHBondContact O-CD1 3.46Å; V337-F339 WeakPolarHBondContact O-CE1 3.4Å; V337-F339 PolarHBondContact O-N 2.85Å; V337-W342 HydrophobicContact CG1-CH2 3.67Å; V337-W342 HydrophobicContact CG1-CZ2 4.21Å; V337-W342 HydrophobicContact CG1-CZ3 3.89Å; V337-E365 WeakPolarHBondContact CB-OE1 3.24Å; V337-E365 WeakPolarHBondContact CG2-OE1 3.42Å
338	D	87	Confident	90.3	Very high	92 Å²	92	40.8 Å²	40.8	49%	0.492	20%	0.204	S	C	.	.			trans	-76.4	110.4	172.8	179.3	19.8	0	0	0	112.4	P302 E336 S340	P302-D338 WeakPolarHBondContact CG-O 3.46Å; E336-D338 PolarHBondContact O-N 2.91Å; E336-D338 VanDerWaalsContact O-N 3.12Å; D338-S340 VanDerWaalsContact C-N 3.26Å; D338-S340 PolarHBondContact O-N 3.05Å; D338-S340 WeakPolarHBondContact OD1-CB 3.44Å; D338-S340 PolarHBondContact OD1-N 3.09Å; D338-S340 PolarHBondContact OD1-OG 3.38Å; D338-S340 WeakPolarHBondContact OD2-CB 3.4Å
339	F	88.9	Confident	90.2	Very high	49 Å²	49	45.3 Å²	45.3	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-75.8	-7.1	178.6	-52.3	-37.2	0	0	0	114.5	V337 C341 W342 R343 F361 E365	V337-F339 HydrophobicContact CB-CD1 4.47Å; V337-F339 HydrophobicContact CB-CE1 3.91Å; V337-F339 HydrophobicContact CG1-CD1 3.94Å; V337-F339 HydrophobicContact CG1-CE1 3.72Å; V337-F339 WeakPolarHBondContact O-CD1 3.46Å; V337-F339 WeakPolarHBondContact O-CE1 3.4Å; V337-F339 PolarHBondContact O-N 2.85Å; F339-C341 VanDerWaalsContact C-N 3.32Å; F339-C341 PolarHBondContact O-N 3.41Å; F339-W342 AromaticContact CD1-CE3 3.56Å; F339-W342 HydrophobicContact CD1-CE3 3.56Å; F339-W342 AromaticContact CD1-CZ3 3.57Å; F339-W342 HydrophobicContact CD1-CZ3 3.57Å; F339-W342 HydrophobicContact CE1-CE3 4.18Å; F339-W342 AromaticContact CE1-CZ3 3.7Å; F339-W342 HydrophobicContact CE1-CZ3 3.7Å; F339-W342 HydrophobicContact CG-CE3 4.48Å; F339-W342 PolarHBondContact O-N 2.84Å; F339-R343 WeakPolarHBondContact O-CB 3.47Å; F339-R343 PolarHBondContact O-N 3.48Å; F339-F361 HydrophobicContact CB-CB 3.79Å; F339-F361 HydrophobicContact CB-CG 4.16Å; F339-F361 HydrophobicContact CD1-CB 3.97Å; F339-F361 HydrophobicContact CD2-CB 3.94Å; F339-F361 HydrophobicContact CG-CB 3.62Å; F339-E365 HydrophobicContact CE1-CB 4.24Å; F339-E365 WeakPolarHBondContact CZ-OE2 3.2Å
340	S	89.2	Confident	90.1	Very high	75 Å²	75	46.4 Å²	46.4	52%	0.524	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-42.5	-175.6	-57.8	0	0	0	0	112.1	D338 R343 S344	D338-S340 VanDerWaalsContact C-N 3.26Å; D338-S340 PolarHBondContact O-N 3.05Å; D338-S340 WeakPolarHBondContact OD1-CB 3.44Å; D338-S340 PolarHBondContact OD1-N 3.09Å; D338-S340 PolarHBondContact OD1-OG 3.38Å; D338-S340 WeakPolarHBondContact OD2-CB 3.4Å; S340-R343 PolarHBondContact O-N 2.65Å; S340-S344 PolarHBondContact O-N 2.92Å; S340-S344 VanDerWaalsContact O-N 3.13Å
341	C	89.5	Confident	90	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-43.5	177.7	-170.7	0	0	0	0	111.8	T288 C290 G301 F339 R343 S344 N345	T288-C341 PolarHBondContact O-SG 3.21Å; T288-C341 VanDerWaalsContact O-SG 3.42Å; C290-C341 WeakPolarHBondContact CA-SG 3.46Å; C290-C341 HydrophobicContact CB-CB 4.11Å; C290-C341 WeakPolarHBondContact CB-SG 3.33Å; C290-C341 PolarHBondContact N-SG 3.38Å; C290-C341 WeakPolarHBondContact SG-CB 3.37Å; C290-C341 CovalentContact SG-SG 2.04Å; C290-C341 PolarHBondContact SG-SG 3.38Å; G301-C341 VanDerWaalsContact CA-SG 3.6Å; G301-C341 PolarHBondContact N-SG 3.25Å; F339-C341 VanDerWaalsContact C-N 3.32Å; F339-C341 PolarHBondContact O-N 3.41Å; C341-R343 VanDerWaalsContact C-N 3.3Å; C341-R343 PolarHBondContact O-N 2.95Å; C341-S344 PolarHBondContact O-N 3.39Å; C341-S344 VanDerWaalsContact O-N 3.16Å; C341-S344 PolarHBondContact O-OG 3.06Å; C341-N345 PolarHBondContact O-N 2.76Å
342	W	91.2	Very high	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-39.8	175.2	-72.9	-12.6	0	0	0	112.5	P273 T288 P302 V303 P305 V337 F339 S344 N345 I348 F361 L364 E365	P273-W342 HydrophobicContact CB-CZ2 4.21Å; P273-W342 HydrophobicContact CG-CH2 3.97Å; P273-W342 HydrophobicContact CG-CZ2 4.16Å; T288-W342 PolarHBondContact OG1-NE1 2.85Å; P302-W342 HydrophobicContact CB-CZ2 3.82Å; V303-W342 PolarHBondContact O-NE1 3.05Å; P305-W342 HydrophobicContact CG-CZ2 4.14Å; V337-W342 HydrophobicContact CG1-CH2 3.67Å; V337-W342 HydrophobicContact CG1-CZ2 4.21Å; V337-W342 HydrophobicContact CG1-CZ3 3.89Å; F339-W342 AromaticContact CD1-CE3 3.56Å; F339-W342 HydrophobicContact CD1-CE3 3.56Å; F339-W342 AromaticContact CD1-CZ3 3.57Å; F339-W342 HydrophobicContact CD1-CZ3 3.57Å; F339-W342 HydrophobicContact CE1-CE3 4.18Å; F339-W342 AromaticContact CE1-CZ3 3.7Å; F339-W342 HydrophobicContact CE1-CZ3 3.7Å; F339-W342 HydrophobicContact CG-CE3 4.48Å; F339-W342 PolarHBondContact O-N 2.84Å; W342-S344 VanDerWaalsContact C-N 3.29Å; W342-S344 PolarHBondContact O-N 2.97Å; W342-N345 PolarHBondContact O-N 2.93Å; W342-I348 HydrophobicContact CB-CD1 4.17Å; W342-I348 HydrophobicContact CB-CG2 4.25Å; W342-I348 HydrophobicContact CG-CD1 3.92Å; W342-F361 HydrophobicContact CB-CD1 3.85Å; W342-F361 HydrophobicContact CB-CE1 4.04Å; W342-F361 HydrophobicContact CE3-CB 4.39Å; W342-F361 HydrophobicContact CE3-CD1 4.45Å; W342-L364 HydrophobicContact CD2-CD2 4.14Å; W342-L364 HydrophobicContact CE3-CD2 4.01Å; W342-L364 HydrophobicContact CZ3-CD2 4.45Å; W342-E365 HydrophobicContact CH2-CB 4.2Å; W342-E365 HydrophobicContact CZ3-CB 4.05Å
343	R	90	Very high	89.6	Confident	155 Å²	155	57.4 Å²	57.4	59%	0.585	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-36	176.6	-175.3	179	-68.3	172.4	-1.7	112.5	F339 S340 C341 N345 R349 F361	F339-R343 WeakPolarHBondContact O-CB 3.47Å; F339-R343 PolarHBondContact O-N 3.48Å; S340-R343 PolarHBondContact O-N 2.65Å; C341-R343 VanDerWaalsContact C-N 3.3Å; C341-R343 PolarHBondContact O-N 2.95Å; R343-N345 VanDerWaalsContact C-N 3.34Å; R343-R349 WeakPolarHBondContact O-CD 3.44Å; R343-F361 VanDerWaalsContact CA-CZ 3.46Å; R343-F361 HydrophobicContact CB-CE1 4.42Å; R343-F361 HydrophobicContact CB-CE2 3.87Å; R343-F361 HydrophobicContact CB-CZ 3.77Å; R343-F361 HydrophobicContact CG-CE2 3.98Å; R343-F361 HydrophobicContact CG-CZ 4.06Å
344	S	90.4	Very high	89.6	Confident	37 Å²	37	65.9 Å²	65.9	26%	0.259	31%	0.307	S	S	.	.	H	α-helix	trans	-70.8	-28.8	179.1	76.9	0	0	0	0	113.3	Y291 S340 C341 W342	Y291-S344 WeakPolarHBondContact CB-O 3.32Å; Y291-S344 PolarHBondContact N-OG 3.22Å; Y291-S344 VanDerWaalsContact O-CB 3.27Å; Y291-S344 WeakPolarHBondContact O-CB 3.4Å; S340-S344 PolarHBondContact O-N 2.92Å; S340-S344 VanDerWaalsContact O-N 3.13Å; C341-S344 PolarHBondContact O-N 3.39Å; C341-S344 VanDerWaalsContact O-N 3.16Å; C341-S344 PolarHBondContact O-OG 3.06Å; W342-S344 VanDerWaalsContact C-N 3.29Å; W342-S344 PolarHBondContact O-N 2.97Å
345	N	90.4	Very high	89.7	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.032	33%	0.325	C	S	.	.			trans	-80.5	123	-169.3	-172.4	-59.8	0	0	0	112.7	T288 S289 Y291 C341 W342 R343 Y347 I348 R349	T288-N345 HydrophobicContact CG2-CB 3.95Å; S289-N345 PolarHBondContact O-ND2 3Å; Y291-N345 HydrophobicContact CD2-CB 4.28Å; C341-N345 PolarHBondContact O-N 2.76Å; W342-N345 PolarHBondContact O-N 2.93Å; R343-N345 VanDerWaalsContact C-N 3.34Å; N345-Y347 PolarHBondContact O-N 3.11Å; N345-Y347 WeakPolarHBondContact OD1-CB 3.19Å; N345-Y347 PolarHBondContact OD1-N 3.27Å; N345-I348 HydrophobicContact CB-CB 4.21Å; N345-I348 HydrophobicContact CB-CD1 4.15Å; N345-I348 HydrophobicContact CB-CG1 4.12Å; N345-I348 PolarHBondContact O-N 2.94Å; N345-I348 PolarHBondContact OD1-N 3.4Å; N345-R349 WeakPolarHBondContact O-CG 3.24Å; N345-R349 PolarHBondContact O-N 3.36Å; N345-R349 VanDerWaalsContact O-N 3.11Å
346	P	90.7	Very high	89.9	Confident	60 Å²	60	72.1 Å²	72.1	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-32.6	-176.1	26.4	-33.7	0	0	0	113.6	Y291 R349 A350	Y291-P346 HydrophobicContact CD1-CG 4.41Å; Y291-P346 HydrophobicContact CE1-CG 4.08Å; Y291-P346 HydrophobicContact CE2-CG 4.49Å; P346-R349 PolarHBondContact O-N 3.19Å; P346-A350 PolarHBondContact O-N 2.9Å
347	Y	90.8	Very high	90	Very high	163 Å²	163	68.2 Å²	68.2	64%	0.639	34%	0.335	S	S	*	.	H	α-helix	trans	-69.1	-41	178.3	-60.3	-77.5	0	0	0	111.3	N345 A350 F351	N345-Y347 PolarHBondContact O-N 3.11Å; N345-Y347 WeakPolarHBondContact OD1-CB 3.19Å; N345-Y347 PolarHBondContact OD1-N 3.27Å; Y347-A350 WeakPolarHBondContact O-CB 3.13Å; Y347-A350 PolarHBondContact O-N 3.22Å; Y347-F351 PolarHBondContact O-N 3Å
348	I	91.6	Very high	90.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-43.1	174.8	-63.8	-175.1	0	0	0	110.6	T288 T306 W342 N345 A350 F351 M352 F361 L364	T288-I348 HydrophobicContact CG2-CD1 3.43Å; T288-I348 VanDerWaalsContact CG2-CD1 3.43Å; T306-I348 HydrophobicContact CG2-CB 4.4Å; T306-I348 HydrophobicContact CG2-CG1 3.91Å; T306-I348 HydrophobicContact CG2-CG2 4.44Å; W342-I348 HydrophobicContact CB-CD1 4.17Å; W342-I348 HydrophobicContact CB-CG2 4.25Å; W342-I348 HydrophobicContact CG-CD1 3.92Å; N345-I348 HydrophobicContact CB-CB 4.21Å; N345-I348 HydrophobicContact CB-CD1 4.15Å; N345-I348 HydrophobicContact CB-CG1 4.12Å; N345-I348 PolarHBondContact O-N 2.94Å; N345-I348 PolarHBondContact OD1-N 3.4Å; I348-A350 VanDerWaalsContact C-N 3.27Å; I348-A350 PolarHBondContact O-N 3Å; I348-F351 WeakPolarHBondContact O-CB 3.48Å; I348-F351 PolarHBondContact O-N 2.8Å; I348-F351 VanDerWaalsContact O-N 3.11Å; I348-M352 HydrophobicContact CG2-CG 4.25Å; I348-M352 VanDerWaalsContact O-CG 3.26Å; I348-M352 WeakPolarHBondContact O-CG 3.42Å; I348-M352 PolarHBondContact O-N 3.16Å; I348-F361 HydrophobicContact CG2-CE1 4.27Å; I348-L364 HydrophobicContact CG2-CD2 3.56Å
349	R	90.3	Very high	90	Very high	143 Å²	143	72.3 Å²	72.3	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-35.1	173.9	-70.7	179.4	63.6	-163.1	-0.2	112.9	R343 N345 P346 R353	R343-R349 WeakPolarHBondContact O-CD 3.44Å; N345-R349 WeakPolarHBondContact O-CG 3.24Å; N345-R349 PolarHBondContact O-N 3.36Å; N345-R349 VanDerWaalsContact O-N 3.11Å; P346-R349 PolarHBondContact O-N 3.19Å; R349-R353 WeakPolarHBondContact O-CG 3.46Å; R349-R353 PolarHBondContact O-N 3.27Å
350	A	91.7	Very high	89.9	Confident	43 Å²	43	73 Å²	73	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-66.5	-42.5	173.6	0	0	0	0	0	111.7	P346 Y347 I348 R353 K354	P346-A350 PolarHBondContact O-N 2.9Å; Y347-A350 WeakPolarHBondContact O-CB 3.13Å; Y347-A350 PolarHBondContact O-N 3.22Å; I348-A350 VanDerWaalsContact C-N 3.27Å; I348-A350 PolarHBondContact O-N 3Å; A350-R353 PolarHBondContact O-N 3.08Å; A350-K354 PolarHBondContact O-N 2.86Å
351	F	92.7	Very high	89.8	Confident	39 Å²	39	69.8 Å²	69.8	17%	0.171	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-43.8	175.2	-173.7	-93.7	0	0	0	112.5	T306 Y347 I348 R353 K354 M355 F357 L364 F367	T306-F351 HydrophobicContact CG2-CB 3.62Å; T306-F351 HydrophobicContact CG2-CD1 3.66Å; T306-F351 HydrophobicContact CG2-CD2 4.15Å; T306-F351 HydrophobicContact CG2-CE1 4.33Å; T306-F351 HydrophobicContact CG2-CG 3.54Å; Y347-F351 PolarHBondContact O-N 3Å; I348-F351 WeakPolarHBondContact O-CB 3.48Å; I348-F351 PolarHBondContact O-N 2.8Å; I348-F351 VanDerWaalsContact O-N 3.11Å; F351-R353 VanDerWaalsContact C-N 3.29Å; F351-R353 PolarHBondContact O-N 3Å; F351-K354 WeakPolarHBondContact O-CB 3.26Å; F351-K354 PolarHBondContact O-N 2.7Å; F351-K354 VanDerWaalsContact O-N 3.08Å; F351-M355 HydrophobicContact CD1-CG 3.96Å; F351-M355 HydrophobicContact CE1-CG 3.51Å; F351-M355 HydrophobicContact CE2-CG 4.17Å; F351-M355 HydrophobicContact CG-CG 4.48Å; F351-M355 HydrophobicContact CZ-CG 3.62Å; F351-M355 HydrophobicContact CZ-SD 4.13Å; F351-M355 PolarHBondContact O-N 2.89Å; F351-F357 HydrophobicContact CE1-CE2 4.43Å; F351-L364 HydrophobicContact CD1-CD1 3.88Å; F351-L364 HydrophobicContact CE1-CD1 3.84Å; F351-F367 HydrophobicContact CE1-CD1 4.48Å; F351-F367 HydrophobicContact CE1-CE1 4.17Å; F351-F367 AromaticContact CZ-CE1 3.87Å; F351-F367 HydrophobicContact CZ-CE1 3.87Å; F351-F367 HydrophobicContact CZ-CZ 4.02Å
352	M	92.3	Very high	89.7	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-56.5	-41.5	175.5	-72.3	-69.3	-73.1	0	0	112.2	I348 G356 F357 G358 D360 F361 L364	I348-M352 HydrophobicContact CG2-CG 4.25Å; I348-M352 VanDerWaalsContact O-CG 3.26Å; I348-M352 WeakPolarHBondContact O-CG 3.42Å; I348-M352 PolarHBondContact O-N 3.16Å; M352-G356 PolarHBondContact O-N 3.03Å; M352-G356 VanDerWaalsContact O-N 3.15Å; M352-F357 HydrophobicContact CE-CB 3.48Å; M352-F357 VanDerWaalsContact CE-CB 3.48Å; M352-F357 PolarHBondContact O-N 3.11Å; M352-F357 HydrophobicContact SD-CB 3.69Å; M352-F357 HydrophobicContact SD-CD2 3.81Å; M352-F357 HydrophobicContact SD-CG 4.27Å; M352-G358 WeakPolarHBondContact CE-O 3.47Å; M352-D360 WeakPolarHBondContact CE-O 3.43Å; M352-F361 HydrophobicContact CE-CD1 4.24Å; M352-F361 HydrophobicContact CE-CE1 4.42Å; M352-F361 HydrophobicContact CE-CG 4.44Å; M352-F361 HydrophobicContact CG-CE1 4.24Å; M352-F361 HydrophobicContact SD-CD1 4.47Å; M352-L364 HydrophobicContact SD-CB 3.77Å; M352-L364 HydrophobicContact SD-CD1 4.18Å; M352-L364 HydrophobicContact SD-CD2 4.02Å; M352-L364 HydrophobicContact SD-CG 4.21Å
353	R	91.4	Very high	89.5	Confident	193 Å²	193	75 Å²	75	73%	0.728	37%	0.374	S	S	*	.	H	α-helix	trans	-66.2	-42.6	174.4	-73.6	-176.2	-67.3	168.2	1.4	112	R349 A350 F351 M355 G356	R349-R353 WeakPolarHBondContact O-CG 3.46Å; R349-R353 PolarHBondContact O-N 3.27Å; A350-R353 PolarHBondContact O-N 3.08Å; F351-R353 VanDerWaalsContact C-N 3.29Å; F351-R353 PolarHBondContact O-N 3Å; R353-M355 VanDerWaalsContact C-N 3.34Å; R353-M355 PolarHBondContact O-N 3.19Å; R353-G356 PolarHBondContact O-N 3.3Å
354	K	91.2	Very high	89.4	Confident	177 Å²	177	67.7 Å²	67.7	77%	0.77	35%	0.346	S	S	*	.	H	α-helix	trans	-62.5	-39.9	178.5	-175.4	179.8	178.8	-179.8	0	112.5	A350 F351 G356	A350-K354 PolarHBondContact O-N 2.86Å; F351-K354 WeakPolarHBondContact O-CB 3.26Å; F351-K354 PolarHBondContact O-N 2.7Å; F351-K354 VanDerWaalsContact O-N 3.08Å; K354-G356 VanDerWaalsContact C-N 3.35Å
355	M	88.6	Confident	89.4	Confident	76 Å²	76	66 Å²	66	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-85.3	-6.5	-178.9	-67.2	-63.6	-69.2	0	0	113.7	F351 R353 F357 F367	F351-M355 HydrophobicContact CD1-CG 3.96Å; F351-M355 HydrophobicContact CE1-CG 3.51Å; F351-M355 HydrophobicContact CE2-CG 4.17Å; F351-M355 HydrophobicContact CG-CG 4.48Å; F351-M355 HydrophobicContact CZ-CG 3.62Å; F351-M355 HydrophobicContact CZ-SD 4.13Å; F351-M355 PolarHBondContact O-N 2.89Å; R353-M355 VanDerWaalsContact C-N 3.34Å; R353-M355 PolarHBondContact O-N 3.19Å; M355-F357 VanDerWaalsContact C-N 3.32Å; M355-F357 HydrophobicContact CB-CD1 4.09Å; M355-F357 HydrophobicContact CB-CD2 3.64Å; M355-F357 HydrophobicContact CB-CE1 3.96Å; M355-F357 HydrophobicContact CB-CE2 3.51Å; M355-F357 HydrophobicContact CB-CG 3.94Å; M355-F357 HydrophobicContact CB-CZ 3.68Å; M355-F357 HydrophobicContact CE-CE1 4.44Å; M355-F357 HydrophobicContact CE-CE2 4.22Å; M355-F357 HydrophobicContact CE-CZ 3.7Å; M355-F357 HydrophobicContact CG-CD2 4.41Å; M355-F357 HydrophobicContact CG-CE2 3.94Å; M355-F357 HydrophobicContact CG-CZ 4.23Å; M355-F357 PolarHBondContact O-N 2.97Å; M355-F367 HydrophobicContact CE-CD2 4.17Å; M355-F367 HydrophobicContact CE-CE2 3.78Å; M355-F367 HydrophobicContact CE-CZ 4.37Å
356	G	90.1	Very high	89.2	Confident	63 Å²	63	66.5 Å²	66.5	65%	0.649	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	22.8	-178.2	0	0	0	0	0	114.2	M352 R353 K354 G358	M352-G356 PolarHBondContact O-N 3.03Å; M352-G356 VanDerWaalsContact O-N 3.15Å; R353-G356 PolarHBondContact O-N 3.3Å; K354-G356 VanDerWaalsContact C-N 3.35Å; G356-G358 VanDerWaalsContact C-N 3.31Å
357	F	86.4	Confident	89.2	Confident	38 Å²	38	65.5 Å²	65.5	17%	0.167	33%	0.328	C	S	.	.			trans	-80.6	-10.9	-179.8	-61	-26	0	0	0	113.5	F351 M352 M355 L359 D360 K363 L364 F367	F351-F357 HydrophobicContact CE1-CE2 4.43Å; M352-F357 HydrophobicContact CE-CB 3.48Å; M352-F357 VanDerWaalsContact CE-CB 3.48Å; M352-F357 PolarHBondContact O-N 3.11Å; M352-F357 HydrophobicContact SD-CB 3.69Å; M352-F357 HydrophobicContact SD-CD2 3.81Å; M352-F357 HydrophobicContact SD-CG 4.27Å; M355-F357 VanDerWaalsContact C-N 3.32Å; M355-F357 HydrophobicContact CB-CD1 4.09Å; M355-F357 HydrophobicContact CB-CD2 3.64Å; M355-F357 HydrophobicContact CB-CE1 3.96Å; M355-F357 HydrophobicContact CB-CE2 3.51Å; M355-F357 HydrophobicContact CB-CG 3.94Å; M355-F357 HydrophobicContact CB-CZ 3.68Å; M355-F357 HydrophobicContact CE-CE1 4.44Å; M355-F357 HydrophobicContact CE-CE2 4.22Å; M355-F357 HydrophobicContact CE-CZ 3.7Å; M355-F357 HydrophobicContact CG-CD2 4.41Å; M355-F357 HydrophobicContact CG-CE2 3.94Å; M355-F357 HydrophobicContact CG-CZ 4.23Å; M355-F357 PolarHBondContact O-N 2.97Å; F357-L359 PolarHBondContact O-N 3.04Å; F357-D360 PolarHBondContact O-N 3.47Å; F357-K363 HydrophobicContact CB-CB 4.3Å; F357-K363 HydrophobicContact CD1-CB 4.13Å; F357-K363 HydrophobicContact CD1-CD 4.47Å; F357-K363 HydrophobicContact CG-CB 4.1Å; F357-L364 HydrophobicContact CD2-CD1 4.45Å; F357-L364 HydrophobicContact CE2-CD1 4.42Å; F357-F367 HydrophobicContact CE2-CB 4.24Å; F357-F367 HydrophobicContact CE2-CG 4.42Å; F357-F367 HydrophobicContact CZ-CB 4.26Å; F357-F367 HydrophobicContact CZ-CD2 4.34Å; F357-F367 HydrophobicContact CZ-CG 4.45Å
358	G	86.7	Confident	89.2	Confident	47 Å²	47	57.7 Å²	57.7	49%	0.485	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-128.7	178.5	0	0	0	0	0	112.3	M352 G356	M352-G358 WeakPolarHBondContact CE-O 3.47Å; G356-G358 VanDerWaalsContact C-N 3.31Å
359	L	85.5	Confident	89.2	Confident	145 Å²	145	57.8 Å²	57.8	76%	0.759	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	8.5	177.4	-63.2	177	0	0	0	113	F357 F361	F357-L359 PolarHBondContact O-N 3.04Å; L359-F361 VanDerWaalsContact O-CD2 3.25Å; L359-F361 WeakPolarHBondContact O-CD2 3.21Å; L359-F361 WeakPolarHBondContact O-CE2 3.09Å; L359-F361 PolarHBondContact O-N 3.17Å
360	D	87.4	Confident	89.2	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.342	29%	0.285	S	S	.	.			trans	-93.9	91.6	-175	-175.3	6	0	0	0	111	M352 F357 S362 K363	M352-D360 WeakPolarHBondContact CE-O 3.43Å; F357-D360 PolarHBondContact O-N 3.47Å; D360-S362 VanDerWaalsContact CG-OG 3.31Å; D360-S362 PolarHBondContact O-N 3.36Å; D360-S362 WeakPolarHBondContact OD1-CB 3.38Å; D360-S362 PolarHBondContact OD1-N 2.88Å; D360-S362 PolarHBondContact OD1-OG 3.4Å; D360-S362 PolarHBondContact OD2-OG 3.27Å; D360-K363 HydrophobicContact CB-CD 4.31Å; D360-K363 PolarHBondContact O-N 2.95Å; D360-K363 WeakPolarHBondContact OD2-CE 3.1Å; D360-K363 IonicContact OD2-NZ 3.84Å
361	F	87.2	Confident	89.1	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.2	-177	-67.2	-87.5	0	0	0	113.5	F339 W342 R343 I348 M352 L359 K363 L364 E365	F339-F361 HydrophobicContact CB-CB 3.79Å; F339-F361 HydrophobicContact CB-CG 4.16Å; F339-F361 HydrophobicContact CD1-CB 3.97Å; F339-F361 HydrophobicContact CD2-CB 3.94Å; F339-F361 HydrophobicContact CG-CB 3.62Å; W342-F361 HydrophobicContact CB-CD1 3.85Å; W342-F361 HydrophobicContact CB-CE1 4.04Å; W342-F361 HydrophobicContact CE3-CB 4.39Å; W342-F361 HydrophobicContact CE3-CD1 4.45Å; R343-F361 VanDerWaalsContact CA-CZ 3.46Å; R343-F361 HydrophobicContact CB-CE1 4.42Å; R343-F361 HydrophobicContact CB-CE2 3.87Å; R343-F361 HydrophobicContact CB-CZ 3.77Å; R343-F361 HydrophobicContact CG-CE2 3.98Å; R343-F361 HydrophobicContact CG-CZ 4.06Å; I348-F361 HydrophobicContact CG2-CE1 4.27Å; M352-F361 HydrophobicContact CE-CD1 4.24Å; M352-F361 HydrophobicContact CE-CE1 4.42Å; M352-F361 HydrophobicContact CE-CG 4.44Å; M352-F361 HydrophobicContact CG-CE1 4.24Å; M352-F361 HydrophobicContact SD-CD1 4.47Å; L359-F361 VanDerWaalsContact O-CD2 3.25Å; L359-F361 WeakPolarHBondContact O-CD2 3.21Å; L359-F361 WeakPolarHBondContact O-CE2 3.09Å; L359-F361 PolarHBondContact O-N 3.17Å; F361-K363 PolarHBondContact O-N 3.23Å; F361-L364 HydrophobicContact CD1-CD2 4.36Å; F361-L364 VanDerWaalsContact O-CB 3.32Å; F361-L364 WeakPolarHBondContact O-CB 3.34Å; F361-L364 PolarHBondContact O-N 3.28Å; F361-E365 PolarHBondContact O-N 2.76Å; F361-E365 VanDerWaalsContact O-N 3.1Å
362	S	86.2	Confident	89.1	Confident	18 Å²	18	53.5 Å²	53.5	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-31.4	172.9	71.4	0	0	0	0	111.9	D360 L364 E365 A366 H393	D360-S362 VanDerWaalsContact CG-OG 3.31Å; D360-S362 PolarHBondContact O-N 3.36Å; D360-S362 WeakPolarHBondContact OD1-CB 3.38Å; D360-S362 PolarHBondContact OD1-N 2.88Å; D360-S362 PolarHBondContact OD1-OG 3.4Å; D360-S362 PolarHBondContact OD2-OG 3.27Å; S362-L364 VanDerWaalsContact C-N 3.31Å; S362-L364 PolarHBondContact O-N 2.83Å; S362-E365 PolarHBondContact O-N 3.05Å; S362-A366 WeakPolarHBondContact O-CB 3.27Å; S362-A366 PolarHBondContact O-N 3.28Å; S362-H393 PolarHBondContact O-CE1 2.94Å; S362-H393 PolarHBondContact O-ND1 3.25Å
363	K	87.3	Confident	89	Confident	100 Å²	100	53.5 Å²	53.5	44%	0.435	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-29.4	174.2	-66.8	178	-180	171.1	0	112.5	F357 D360 F361 F367	F357-K363 HydrophobicContact CB-CB 4.3Å; F357-K363 HydrophobicContact CD1-CB 4.13Å; F357-K363 HydrophobicContact CD1-CD 4.47Å; F357-K363 HydrophobicContact CG-CB 4.1Å; D360-K363 HydrophobicContact CB-CD 4.31Å; D360-K363 PolarHBondContact O-N 2.95Å; D360-K363 WeakPolarHBondContact OD2-CE 3.1Å; D360-K363 IonicContact OD2-NZ 3.84Å; F361-K363 PolarHBondContact O-N 3.23Å; K363-F367 WeakPolarHBondContact O-CB 3.41Å; K363-F367 PolarHBondContact O-N 3.38Å
364	L	89.1	Confident	89	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-72.7	-42.2	176.2	-174.6	64.1	0	0	0	111.1	P305 W342 I348 F351 M352 F357 F361 S362 F367 Y368	P305-L364 HydrophobicContact CB-CD1 4.45Å; P305-L364 HydrophobicContact CG-CD1 3.81Å; P305-L364 HydrophobicContact CG-CD2 3.74Å; P305-L364 HydrophobicContact CG-CG 3.6Å; W342-L364 HydrophobicContact CD2-CD2 4.14Å; W342-L364 HydrophobicContact CE3-CD2 4.01Å; W342-L364 HydrophobicContact CZ3-CD2 4.45Å; I348-L364 HydrophobicContact CG2-CD2 3.56Å; F351-L364 HydrophobicContact CD1-CD1 3.88Å; F351-L364 HydrophobicContact CE1-CD1 3.84Å; M352-L364 HydrophobicContact SD-CB 3.77Å; M352-L364 HydrophobicContact SD-CD1 4.18Å; M352-L364 HydrophobicContact SD-CD2 4.02Å; M352-L364 HydrophobicContact SD-CG 4.21Å; F357-L364 HydrophobicContact CD2-CD1 4.45Å; F357-L364 HydrophobicContact CE2-CD1 4.42Å; F361-L364 HydrophobicContact CD1-CD2 4.36Å; F361-L364 VanDerWaalsContact O-CB 3.32Å; F361-L364 WeakPolarHBondContact O-CB 3.34Å; F361-L364 PolarHBondContact O-N 3.28Å; S362-L364 VanDerWaalsContact C-N 3.31Å; S362-L364 PolarHBondContact O-N 2.83Å; L364-F367 WeakPolarHBondContact O-CB 3.37Å; L364-F367 PolarHBondContact O-N 2.98Å; L364-Y368 PolarHBondContact O-N 3.47Å
365	E	89.6	Confident	89	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-47.7	170.3	178	-176.7	-137	0	0	111.1	V337 F339 W342 F361 S362 F367 Y368 I369 H393	V337-E365 WeakPolarHBondContact CB-OE1 3.24Å; V337-E365 WeakPolarHBondContact CG2-OE1 3.42Å; F339-E365 HydrophobicContact CE1-CB 4.24Å; F339-E365 WeakPolarHBondContact CZ-OE2 3.2Å; W342-E365 HydrophobicContact CH2-CB 4.2Å; W342-E365 HydrophobicContact CZ3-CB 4.05Å; F361-E365 PolarHBondContact O-N 2.76Å; F361-E365 VanDerWaalsContact O-N 3.1Å; S362-E365 PolarHBondContact O-N 3.05Å; E365-F367 VanDerWaalsContact C-N 3.27Å; E365-F367 PolarHBondContact O-N 2.87Å; E365-Y368 WeakPolarHBondContact O-CA 3.22Å; E365-Y368 WeakPolarHBondContact O-CB 3.44Å; E365-Y368 PolarHBondContact O-N 2.98Å; E365-I369 HydrophobicContact CG-CG1 4.44Å; E365-I369 PolarHBondContact O-N 3.03Å; E365-H393 IonicContact OE2-CE1 2.86Å
366	A	87.3	Confident	89.1	Confident	17 Å²	17	37.9 Å²	37.9	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-44.6	176.4	0	0	0	0	0	111.9	S362 Y368 I369 E370 H393	S362-A366 WeakPolarHBondContact O-CB 3.27Å; S362-A366 PolarHBondContact O-N 3.28Å; A366-Y368 VanDerWaalsContact C-N 3.31Å; A366-Y368 PolarHBondContact O-N 2.92Å; A366-I369 PolarHBondContact O-N 2.86Å; A366-E370 WeakPolarHBondContact O-CB 3.36Å; A366-E370 PolarHBondContact O-N 3.25Å; A366-H393 WeakPolarHBondContact CA-NE2 3.34Å; A366-H393 HydrophobicContact CB-CB 4.4Å; A366-H393 WeakPolarHBondContact CB-ND1 3.1Å; A366-H393 PolarHBondContact N-CE1 3.02Å
367	F	89.4	Confident	89.1	Confident	39 Å²	39	38.2 Å²	38.2	17%	0.171	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-37.8	177.5	172.9	-96.2	0	0	0	112.4	Y311 F351 M355 F357 K363 L364 E365 K371	Y311-F367 WeakPolarHBondContact OH-CE1 3.48Å; F351-F367 HydrophobicContact CE1-CD1 4.48Å; F351-F367 HydrophobicContact CE1-CE1 4.17Å; F351-F367 AromaticContact CZ-CE1 3.87Å; F351-F367 HydrophobicContact CZ-CE1 3.87Å; F351-F367 HydrophobicContact CZ-CZ 4.02Å; M355-F367 HydrophobicContact CE-CD2 4.17Å; M355-F367 HydrophobicContact CE-CE2 3.78Å; M355-F367 HydrophobicContact CE-CZ 4.37Å; F357-F367 HydrophobicContact CE2-CB 4.24Å; F357-F367 HydrophobicContact CE2-CG 4.42Å; F357-F367 HydrophobicContact CZ-CB 4.26Å; F357-F367 HydrophobicContact CZ-CD2 4.34Å; F357-F367 HydrophobicContact CZ-CG 4.45Å; K363-F367 WeakPolarHBondContact O-CB 3.41Å; K363-F367 PolarHBondContact O-N 3.38Å; L364-F367 WeakPolarHBondContact O-CB 3.37Å; L364-F367 PolarHBondContact O-N 2.98Å; E365-F367 VanDerWaalsContact C-N 3.27Å; E365-F367 PolarHBondContact O-N 2.87Å; F367-K371 HydrophobicContact CD1-CD 4.42Å; F367-K371 HydrophobicContact CE1-CD 3.89Å; F367-K371 HydrophobicContact CE2-CD 4.37Å; F367-K371 HydrophobicContact CZ-CD 3.9Å; F367-K371 PolarHBondContact O-N 3.28Å
368	Y	91.7	Very high	89.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-55.4	174.7	174.2	-94.9	0	0	0	111.2	S272 P273 V303 P305 T310 Y311 L364 E365 A366 E370 K371 I372	S272-Y368 WeakPolarHBondContact CB-OH 3.31Å; S272-Y368 PolarHBondContact OG-OH 2.65Å; P273-Y368 HydrophobicContact CB-CD1 3.87Å; P273-Y368 HydrophobicContact CB-CE1 3.69Å; P273-Y368 HydrophobicContact CB-CG 4.41Å; P273-Y368 HydrophobicContact CG-CD1 3.76Å; P273-Y368 HydrophobicContact CG-CE1 3.96Å; P273-Y368 HydrophobicContact CG-CG 4.46Å; V303-Y368 HydrophobicContact CG1-CE2 3.94Å; P305-Y368 HydrophobicContact CB-CD2 3.91Å; P305-Y368 HydrophobicContact CB-CG 4.26Å; T310-Y368 HydrophobicContact CG2-CE2 4.14Å; Y311-Y368 AromaticContact CE1-CD2 3.85Å; Y311-Y368 HydrophobicContact CE1-CD2 3.85Å; Y311-Y368 HydrophobicContact CE1-CE2 4.27Å; L364-Y368 PolarHBondContact O-N 3.47Å; E365-Y368 WeakPolarHBondContact O-CA 3.22Å; E365-Y368 WeakPolarHBondContact O-CB 3.44Å; E365-Y368 PolarHBondContact O-N 2.98Å; A366-Y368 VanDerWaalsContact C-N 3.31Å; A366-Y368 PolarHBondContact O-N 2.92Å; Y368-E370 VanDerWaalsContact C-N 3.34Å; Y368-E370 PolarHBondContact O-N 2.93Å; Y368-K371 WeakPolarHBondContact O-CB 3.32Å; Y368-K371 PolarHBondContact O-N 3.3Å; Y368-K371 VanDerWaalsContact O-N 3.09Å; Y368-I372 HydrophobicContact CD1-CG1 4.2Å; Y368-I372 HydrophobicContact CD2-CG1 4.46Å; Y368-I372 HydrophobicContact CE1-CG1 3.71Å; Y368-I372 HydrophobicContact CE2-CD1 4.03Å; Y368-I372 HydrophobicContact CE2-CG1 4.02Å; Y368-I372 WeakPolarHBondContact O-CG1 3.31Å; Y368-I372 PolarHBondContact O-N 2.92Å
369	I	90.8	Very high	89.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-41.2	-176.9	-61.2	-66.5	0	0	0	111	S272 E365 A366 K371 I372 V373 V389 F398	S272-I369 WeakPolarHBondContact O-CD1 3.5Å; E365-I369 HydrophobicContact CG-CG1 4.44Å; E365-I369 PolarHBondContact O-N 3.03Å; A366-I369 PolarHBondContact O-N 2.86Å; I369-K371 VanDerWaalsContact C-N 3.26Å; I369-K371 PolarHBondContact O-N 2.9Å; I369-I372 PolarHBondContact O-N 2.84Å; I369-I372 VanDerWaalsContact O-N 3.11Å; I369-V373 HydrophobicContact CG2-CG2 3.96Å; I369-V373 WeakPolarHBondContact O-CB 3.05Å; I369-V373 VanDerWaalsContact O-CG2 3.31Å; I369-V373 WeakPolarHBondContact O-CG2 3.45Å; I369-V373 PolarHBondContact O-N 2.99Å; I369-V389 HydrophobicContact CB-CG1 4.37Å; I369-V389 HydrophobicContact CD1-CG2 4.5Å; I369-V389 HydrophobicContact CG1-CG2 4.29Å; I369-V389 HydrophobicContact CG2-CG1 3.69Å; I369-V389 HydrophobicContact CG2-CG2 4.44Å; I369-F398 HydrophobicContact CG2-CE2 4.22Å
370	E	90	Very high	89.8	Confident	54 Å²	54	46.4 Å²	46.4	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-56.2	-41	175.7	-176.4	177.6	176.2	0	0	111.6	A366 Y368 N374 R395 F398	A366-E370 WeakPolarHBondContact O-CB 3.36Å; A366-E370 PolarHBondContact O-N 3.25Å; Y368-E370 VanDerWaalsContact C-N 3.34Å; Y368-E370 PolarHBondContact O-N 2.93Å; E370-N374 WeakPolarHBondContact O-CB 3.47Å; E370-N374 VanDerWaalsContact O-CG 3.28Å; E370-N374 PolarHBondContact O-N 3.45Å; E370-N374 PolarHBondContact O-ND2 3.45Å; E370-R395 IonicContact OE2-NH1 3.05Å; E370-F398 HydrophobicContact CB-CD1 4.39Å; E370-F398 HydrophobicContact CB-CE1 4.01Å; E370-F398 HydrophobicContact CB-CE2 4.47Å; E370-F398 HydrophobicContact CB-CZ 4.08Å; E370-F398 HydrophobicContact CG-CD1 4.03Å; E370-F398 HydrophobicContact CG-CE1 4.1Å; E370-F398 HydrophobicContact CG-CG 4.45Å
371	K	90.9	Very high	90	Very high	82 Å²	82	44.5 Å²	44.5	36%	0.357	22%	0.22	S	C	.	.	H	α-helix	trans	-69	-41.1	176	-80.2	176.3	171.8	-78.2	0	112.7	Y311 F367 Y368 I369 N374 I375	Y311-K371 HydrophobicContact CD1-CB 3.87Å; Y311-K371 HydrophobicContact CD1-CD 3.93Å; Y311-K371 HydrophobicContact CD2-CD 4.25Å; Y311-K371 HydrophobicContact CE1-CB 3.55Å; Y311-K371 HydrophobicContact CE1-CD 3.41Å; Y311-K371 VanDerWaalsContact CE1-CD 3.41Å; Y311-K371 HydrophobicContact CE1-CG 4.14Å; Y311-K371 HydrophobicContact CE2-CD 3.75Å; Y311-K371 HydrophobicContact CG-CD 4.32Å; Y311-K371 WeakPolarHBondContact OH-CD 3.43Å; F367-K371 HydrophobicContact CD1-CD 4.42Å; F367-K371 HydrophobicContact CE1-CD 3.89Å; F367-K371 HydrophobicContact CE2-CD 4.37Å; F367-K371 HydrophobicContact CZ-CD 3.9Å; F367-K371 PolarHBondContact O-N 3.28Å; Y368-K371 WeakPolarHBondContact O-CB 3.32Å; Y368-K371 PolarHBondContact O-N 3.3Å; Y368-K371 VanDerWaalsContact O-N 3.09Å; I369-K371 VanDerWaalsContact C-N 3.26Å; I369-K371 PolarHBondContact O-N 2.9Å; K371-N374 PolarHBondContact O-N 3.2Å; K371-I375 WeakPolarHBondContact O-CG1 3.32Å; K371-I375 PolarHBondContact O-N 2.88Å
372	I	91.9	Very high	90.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-43	178.1	-58.7	-54.2	0	0	0	110.9	Y311 M314 L318 L332 Y368 I369 N374 I375 T376	Y311-I372 HydrophobicContact CD1-CD1 4.13Å; Y311-I372 HydrophobicContact CE1-CD1 4.42Å; M314-I372 HydrophobicContact CB-CD1 3.72Å; M314-I372 HydrophobicContact CE-CD1 4.37Å; M314-I372 HydrophobicContact CG-CD1 3.88Å; L318-I372 HydrophobicContact CD1-CG2 3.78Å; L332-I372 HydrophobicContact CD1-CG2 3.9Å; L332-I372 HydrophobicContact CD2-CG2 4.02Å; L332-I372 HydrophobicContact CG-CG2 4.49Å; Y368-I372 HydrophobicContact CD1-CG1 4.2Å; Y368-I372 HydrophobicContact CD2-CG1 4.46Å; Y368-I372 HydrophobicContact CE1-CG1 3.71Å; Y368-I372 HydrophobicContact CE2-CD1 4.03Å; Y368-I372 HydrophobicContact CE2-CG1 4.02Å; Y368-I372 WeakPolarHBondContact O-CG1 3.31Å; Y368-I372 PolarHBondContact O-N 2.92Å; I369-I372 PolarHBondContact O-N 2.84Å; I369-I372 VanDerWaalsContact O-N 3.11Å; I372-N374 VanDerWaalsContact C-N 3.3Å; I372-N374 PolarHBondContact O-N 3.04Å; I372-I375 HydrophobicContact CD1-CD1 4.25Å; I372-I375 WeakPolarHBondContact O-CB 3.17Å; I372-I375 PolarHBondContact O-N 2.88Å; I372-I375 VanDerWaalsContact O-N 3.09Å; I372-T376 PolarHBondContact O-N 3.24Å; I372-T376 PolarHBondContact O-OG1 3.49Å
373	V	91.1	Very high	90.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-37.6	175.8	173.2	0	0	0	0	111.7	L332 I369 T376 S377 F398	L332-V373 HydrophobicContact CD1-CG2 3.81Å; I369-V373 HydrophobicContact CG2-CG2 3.96Å; I369-V373 WeakPolarHBondContact O-CB 3.05Å; I369-V373 VanDerWaalsContact O-CG2 3.31Å; I369-V373 WeakPolarHBondContact O-CG2 3.45Å; I369-V373 PolarHBondContact O-N 2.99Å; V373-T376 WeakPolarHBondContact CA-OG1 3.29Å; V373-T376 PolarHBondContact O-N 3.2Å; V373-T376 PolarHBondContact O-OG1 3.37Å; V373-S377 WeakPolarHBondContact O-CB 3.19Å; V373-S377 PolarHBondContact O-N 3.33Å; V373-S377 PolarHBondContact O-OG 3.37Å; V373-F398 HydrophobicContact CB-CD2 4.1Å; V373-F398 HydrophobicContact CG1-CB 4.4Å; V373-F398 HydrophobicContact CG1-CD2 4.02Å; V373-F398 WeakPolarHBondContact CG1-O 3.18Å; V373-F398 HydrophobicContact CG2-CD2 4.09Å; V373-F398 HydrophobicContact CG2-CE2 4.31Å
374	N	91.4	Very high	90.9	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-40.4	173.3	-78.3	-27.1	0	0	0	111.9	E370 K371 I372 S377 V378	E370-N374 WeakPolarHBondContact O-CB 3.47Å; E370-N374 VanDerWaalsContact O-CG 3.28Å; E370-N374 PolarHBondContact O-N 3.45Å; E370-N374 PolarHBondContact O-ND2 3.45Å; K371-N374 PolarHBondContact O-N 3.2Å; I372-N374 VanDerWaalsContact C-N 3.3Å; I372-N374 PolarHBondContact O-N 3.04Å; N374-S377 PolarHBondContact O-N 2.93Å; N374-V378 WeakPolarHBondContact O-CG2 3.38Å; N374-V378 PolarHBondContact O-N 3.27Å; N374-V378 VanDerWaalsContact O-N 3.08Å
375	I	91.3	Very high	91.2	Very high	34 Å²	34	40.7 Å²	40.7	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-46.2	175.2	-70.7	163.4	0	0	0	110.7	A315 L318 K371 I372 S377 V378 L379	A315-I375 HydrophobicContact CB-CD1 4.18Å; A315-I375 HydrophobicContact CB-CG1 4.46Å; A315-I375 HydrophobicContact CB-CG2 3.92Å; L318-I375 HydrophobicContact CD1-CG2 4.21Å; K371-I375 WeakPolarHBondContact O-CG1 3.32Å; K371-I375 PolarHBondContact O-N 2.88Å; I372-I375 HydrophobicContact CD1-CD1 4.25Å; I372-I375 WeakPolarHBondContact O-CB 3.17Å; I372-I375 PolarHBondContact O-N 2.88Å; I372-I375 VanDerWaalsContact O-N 3.09Å; I375-S377 VanDerWaalsContact C-N 3.32Å; I375-S377 PolarHBondContact O-N 3.39Å; I375-V378 PolarHBondContact O-N 3.36Å; I375-L379 HydrophobicContact CG2-CD1 4.45Å; I375-L379 WeakPolarHBondContact O-CG 3.31Å; I375-L379 PolarHBondContact O-N 3.23Å
376	T	89.7	Confident	91.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-35.8	178.7	55.1	0	0	0	0	112.6	L318 L332 I372 V373 V378 L379 R380 K381	L318-T376 HydrophobicContact CD1-CG2 3.97Å; L332-T376 HydrophobicContact CD1-CG2 4.17Å; L332-T376 HydrophobicContact CD2-CG2 3.83Å; I372-T376 PolarHBondContact O-N 3.24Å; I372-T376 PolarHBondContact O-OG1 3.49Å; V373-T376 WeakPolarHBondContact CA-OG1 3.29Å; V373-T376 PolarHBondContact O-N 3.2Å; V373-T376 PolarHBondContact O-OG1 3.37Å; T376-V378 VanDerWaalsContact C-N 3.34Å; T376-V378 PolarHBondContact O-N 3.19Å; T376-L379 CarbonylContact O-C 3.51Å; T376-L379 WeakPolarHBondContact O-CA 3.22Å; T376-L379 WeakPolarHBondContact O-CB 3.46Å; T376-L379 PolarHBondContact O-N 3.13Å; T376-L379 VanDerWaalsContact O-N 3.07Å; T376-R380 PolarHBondContact O-N 2.85Å; T376-K381 CarbonylContact C-O 3.51Å; T376-K381 PolarHBondContact O-N 2.67Å; T376-K381 VanDerWaalsContact O-N 3.13Å
377	S	89.3	Confident	91.7	Very high	70 Å²	70	40.3 Å²	40.3	49%	0.49	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-39.9	176.5	-60.8	0	0	0	0	111.7	V373 N374 I375 L379 R380	V373-S377 WeakPolarHBondContact O-CB 3.19Å; V373-S377 PolarHBondContact O-N 3.33Å; V373-S377 PolarHBondContact O-OG 3.37Å; N374-S377 PolarHBondContact O-N 2.93Å; I375-S377 VanDerWaalsContact C-N 3.32Å; I375-S377 PolarHBondContact O-N 3.39Å; S377-L379 PolarHBondContact O-N 2.69Å; S377-R380 PolarHBondContact O-N 3.32Å
378	V	91.6	Very high	91.7	Very high	122 Å²	122	38.6 Å²	38.6	74%	0.739	19%	0.193	S	C	*	.	H	α-helix	trans	-62.6	-32.2	173.2	171.7	0	0	0	0	111.7	N374 I375 T376 R380	N374-V378 WeakPolarHBondContact O-CG2 3.38Å; N374-V378 PolarHBondContact O-N 3.27Å; N374-V378 VanDerWaalsContact O-N 3.08Å; I375-V378 PolarHBondContact O-N 3.36Å; T376-V378 VanDerWaalsContact C-N 3.34Å; T376-V378 PolarHBondContact O-N 3.19Å; V378-R380 PolarHBondContact O-N 3.46Å
379	L	91.3	Very high	91.4	Very high	48 Å²	48	38.6 Å²	38.6	25%	0.251	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.3	175.1	-62	171.9	0	0	0	113.6	L318 K319 A322 I375 T376 S377 K381	L318-L379 HydrophobicContact CB-CD1 4Å; K319-L379 HydrophobicContact CB-CD1 4.43Å; K319-L379 HydrophobicContact CB-CD2 4.08Å; K319-L379 HydrophobicContact CG-CD2 4.16Å; A322-L379 HydrophobicContact CB-CB 4.39Å; A322-L379 HydrophobicContact CB-CD1 4.25Å; I375-L379 HydrophobicContact CG2-CD1 4.45Å; I375-L379 WeakPolarHBondContact O-CG 3.31Å; I375-L379 PolarHBondContact O-N 3.23Å; T376-L379 CarbonylContact O-C 3.51Å; T376-L379 WeakPolarHBondContact O-CA 3.22Å; T376-L379 WeakPolarHBondContact O-CB 3.46Å; T376-L379 PolarHBondContact O-N 3.13Å; T376-L379 VanDerWaalsContact O-N 3.07Å; S377-L379 PolarHBondContact O-N 2.69Å; L379-K381 PolarHBondContact O-N 3.24Å
380	R	91.1	Very high	91.3	Very high	232 Å²	232	38.6 Å²	38.6	88%	0.875	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	32.4	-176.3	-55.5	-179.5	177.4	171.9	-1.8	113.3	T376 S377 V378	T376-R380 PolarHBondContact O-N 2.85Å; S377-R380 PolarHBondContact O-N 3.32Å; V378-R380 PolarHBondContact O-N 3.46Å
381	K	91.8	Very high	91	Very high	24 Å²	24	38.3 Å²	38.3	10%	0.104	19%	0.193	C	C	.	.			trans	-111.9	144.1	173.7	-62.6	-70.9	-170.9	168.1	0	109.5	A322 F325 P326 D327 P328 I330 T376 L379	A322-K381 HydrophobicContact CB-CG 4.05Å; A322-K381 WeakPolarHBondContact O-CE 3.48Å; F325-K381 PolarHBondContact O-NZ 2.91Å; P326-K381 PolarHBondContact O-NZ 3.21Å; D327-K381 WeakPolarHBondContact O-CD 3.49Å; D327-K381 PolarHBondContact O-NZ 3.46Å; P328-K381 CarbonylContact O-C 3.54Å; P328-K381 WeakPolarHBondContact O-CA 3.4Å; I330-K381 HydrophobicContact CD1-CB 3.98Å; I330-K381 HydrophobicContact CD1-CD 4.46Å; I330-K381 HydrophobicContact CD1-CG 3.86Å; I330-K381 HydrophobicContact CG1-CB 4.23Å; I330-K381 HydrophobicContact CG1-CG 4.35Å; T376-K381 CarbonylContact C-O 3.51Å; T376-K381 PolarHBondContact O-N 2.67Å; T376-K381 VanDerWaalsContact O-N 3.13Å; L379-K381 PolarHBondContact O-N 3.24Å
382	T	92.2	Very high	90.2	Very high	40 Å²	40	39.5 Å²	39.5	25%	0.245	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.3	176.7	-55.7	0	0	0	0	109.6	P328 Y329 I330	P328-T382 PolarHBondContact O-N 2.79Å; Y329-T382 VanDerWaalsContact CA-O 3.24Å; Y329-T382 WeakPolarHBondContact CA-O 3.46Å; Y329-T382 HydrophobicContact CD1-CG2 3.81Å; Y329-T382 HydrophobicContact CE1-CG2 3.56Å; I330-T382 PolarHBondContact N-O 3.28Å
383	S	93	Very high	89.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137	178.6	55.3	0	0	0	0	112.1	I330 L332	I330-S383 WeakPolarHBondContact O-CA 3.45Å; L332-S383 VanDerWaalsContact CD1-CB 3.46Å
384	I	95.3	Very high	87.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.9	161.3	-53.2	169.1	0	0	0	107.1	L267 Y329 I330 H331 L332 V401 E403 I425	L267-I384 HydrophobicContact CD1-CD1 4.02Å; L267-I384 HydrophobicContact CD2-CD1 3.62Å; L267-I384 HydrophobicContact CG-CD1 4.49Å; Y329-I384 HydrophobicContact CD1-CD1 3.99Å; Y329-I384 HydrophobicContact CD1-CG1 3.9Å; Y329-I384 HydrophobicContact CG-CD1 4.17Å; Y329-I384 HydrophobicContact CG-CG1 4.49Å; I330-I384 PolarHBondContact O-N 3.36Å; H331-I384 WeakPolarHBondContact CD2-CG2 2.87Å; H331-I384 WeakPolarHBondContact NE2-CG2 3.42Å; L332-I384 PolarHBondContact N-O 3.31Å; I384-V401 HydrophobicContact CB-CB 4.42Å; I384-V401 HydrophobicContact CG1-CB 3.96Å; I384-V401 HydrophobicContact CG1-CG1 4.17Å; I384-V401 HydrophobicContact CG1-CG2 4.37Å; I384-V401 HydrophobicContact CG2-CB 4.29Å; I384-V401 HydrophobicContact CG2-CG1 4.07Å; I384-E403 HydrophobicContact CG2-CB 4.4Å; I384-I425 HydrophobicContact CD1-CD1 4.12Å; I384-I425 HydrophobicContact CG2-CD1 4.12Å
385	V	94.7	Very high	86.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.4	179.2	-62.4	0	0	0	0	110.2	L332 V389 L399 V401 V402 E403	L332-V385 HydrophobicContact CB-CG1 4.35Å; V385-V389 HydrophobicContact CB-CB 4.18Å; V385-V389 HydrophobicContact CB-CG1 4.48Å; V385-V389 HydrophobicContact CB-CG2 4.03Å; V385-V389 HydrophobicContact CG1-CG2 4.48Å; V385-V389 HydrophobicContact CG2-CB 4.02Å; V385-V389 HydrophobicContact CG2-CG1 4.21Å; V385-V389 HydrophobicContact CG2-CG2 4.44Å; V385-L399 HydrophobicContact CG1-CD2 4.4Å; V385-L399 HydrophobicContact CG2-CD2 3.85Å; V385-V401 PolarHBondContact N-O 3.07Å; V385-V402 HydrophobicContact CG2-CG2 4.3Å; V385-V402 CarbonylContact O-C 3.48Å; V385-V402 WeakPolarHBondContact O-CA 3.21Å; V385-E403 PolarHBondContact O-N 2.78Å
386	W	95.1	Very high	85.3	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	161.2	169.3	-66.7	120.4	0	0	0	111.7	L186 E269 H331 G333 D335 D388 V389 E403 W405 A427 W470	L186-W386 HydrophobicContact CD1-CH2 3.79Å; L186-W386 HydrophobicContact CD1-CZ2 3.79Å; E269-W386 PolarHBondContact OE1-NE1 2.83Å; H331-W386 AromaticContact CE1-CD1 3.63Å; H331-W386 AromaticContact CE1-CD2 3.76Å; H331-W386 AromaticContact CE1-CE2 3.47Å; H331-W386 VanDerWaalsContact CE1-CE2 3.47Å; H331-W386 AromaticContact CE1-CG 3.83Å; H331-W386 AromaticContact CE1-NE1 3.35Å; H331-W386 PolarHBondContact CE1-NE1 2.87Å; H331-W386 AromaticContact ND1-NE1 3.94Å; G333-W386 VanDerWaalsContact C-CD1 3.48Å; G333-W386 PolarHBondContact O-N 3.31Å; D335-W386 HydrophobicContact CB-CB 3.87Å; D335-W386 HydrophobicContact CB-CG 3.9Å; D335-W386 PolarHBondContact OD1-NE1 3.47Å; W386-D388 PolarHBondContact O-N 3.39Å; W386-D388 VanDerWaalsContact O-N 3.14Å; W386-V389 PolarHBondContact O-N 3.44Å; W386-E403 HydrophobicContact CE3-CB 3.7Å; W386-E403 HydrophobicContact CE3-CG 3.73Å; W386-E403 HydrophobicContact CH2-CG 4.23Å; W386-E403 HydrophobicContact CZ3-CB 3.9Å; W386-E403 HydrophobicContact CZ3-CG 3.38Å; W386-E403 WeakPolarHBondContact CZ3-OE1 3.43Å; W386-W405 AromaticContact CD2-CD1 3.98Å; W386-W405 HydrophobicContact CD2-CG 4.5Å; W386-W405 HydrophobicContact CE3-CB 3.7Å; W386-W405 AromaticContact CE3-CD1 3.51Å; W386-W405 AromaticContact CE3-CG 3.8Å; W386-W405 HydrophobicContact CE3-CG 3.8Å; W386-W405 HydrophobicContact CZ3-CB 3.69Å; W386-W405 HydrophobicContact CZ3-CG 4.23Å; W386-A427 HydrophobicContact CZ3-CB 4.42Å; W386-W470 HydrophobicContact CH2-CZ2 4.22Å; W386-W470 HydrophobicContact CZ2-CH2 4.02Å; W386-W470 AromaticContact CZ2-CZ2 3.92Å; W386-W470 HydrophobicContact CZ2-CZ2 3.92Å
387	Q	92.1	Very high	84.3	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-24.3	-174.5	70.3	171.8	82.9	0	0	115.3	V389 F390 D391 V402 E403 W405 K406	Q387-V389 VanDerWaalsContact C-N 3.26Å; Q387-V389 PolarHBondContact O-N 2.88Å; Q387-F390 CarbonylContact O-C 3.52Å; Q387-F390 WeakPolarHBondContact O-CA 3.34Å; Q387-F390 WeakPolarHBondContact O-CB 3.37Å; Q387-F390 PolarHBondContact O-N 2.87Å; Q387-D391 PolarHBondContact NE2-OD2 3.09Å; Q387-D391 PolarHBondContact O-N 3.37Å; Q387-V402 HydrophobicContact CB-CG1 4.26Å; Q387-E403 PolarHBondContact N-O 3.35Å; Q387-W405 HydrophobicContact CG-CG 4.49Å; Q387-K406 VanDerWaalsContact CD-CG 3.44Å; Q387-K406 HydrophobicContact CG-CD 4.2Å; Q387-K406 HydrophobicContact CG-CG 4.02Å
388	D	88.7	Confident	83.6	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-54.8	-44	-179	-69.5	-103.9	0	0	0	111.6	G334 W386 F390 D391 Y392 W405 K406	G334-D388 WeakPolarHBondContact O-CB 3.28Å; W386-D388 PolarHBondContact O-N 3.39Å; W386-D388 VanDerWaalsContact O-N 3.14Å; D388-F390 PolarHBondContact O-N 3.14Å; D388-D391 PolarHBondContact O-N 3.27Å; D388-D391 VanDerWaalsContact O-N 3.17Å; D388-Y392 HydrophobicContact CB-CD2 4.03Å; D388-Y392 HydrophobicContact CB-CE2 3.75Å; D388-Y392 WeakPolarHBondContact O-CB 3.34Å; D388-Y392 WeakPolarHBondContact O-CD2 3.44Å; D388-Y392 PolarHBondContact O-N 3.11Å; D388-Y392 WeakPolarHBondContact OD1-CE2 3.35Å; D388-W405 PolarHBondContact OD2-NE1 3.04Å; D388-K406 VanDerWaalsContact CG-CE 3.44Å; D388-K406 WeakPolarHBondContact OD1-CE 3.32Å; D388-K406 IonicContact OD1-NZ 3.9Å; D388-K406 PolarHBondContact OD1-NZ 3.36Å; D388-K406 WeakPolarHBondContact OD2-CE 3.5Å; D388-K406 IonicContact OD2-NZ 2.69Å; D388-K406 PolarHBondContact OD2-NZ 3.12Å
389	V	86.2	Confident	83.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-32.2	175.1	-175.7	0	0	0	0	111.8	G334 I369 V385 W386 Q387 H393 L399	G334-V389 WeakPolarHBondContact O-CG2 3.28Å; I369-V389 HydrophobicContact CB-CG1 4.37Å; I369-V389 HydrophobicContact CD1-CG2 4.5Å; I369-V389 HydrophobicContact CG1-CG2 4.29Å; I369-V389 HydrophobicContact CG2-CG1 3.69Å; I369-V389 HydrophobicContact CG2-CG2 4.44Å; V385-V389 HydrophobicContact CB-CB 4.18Å; V385-V389 HydrophobicContact CB-CG1 4.48Å; V385-V389 HydrophobicContact CB-CG2 4.03Å; V385-V389 HydrophobicContact CG1-CG2 4.48Å; V385-V389 HydrophobicContact CG2-CB 4.02Å; V385-V389 HydrophobicContact CG2-CG1 4.21Å; V385-V389 HydrophobicContact CG2-CG2 4.44Å; W386-V389 PolarHBondContact O-N 3.44Å; Q387-V389 VanDerWaalsContact C-N 3.26Å; Q387-V389 PolarHBondContact O-N 2.88Å; V389-H393 WeakPolarHBondContact O-CB 3.44Å; V389-H393 PolarHBondContact O-CD2 3.06Å; V389-H393 VanDerWaalsContact O-CG 3.23Å; V389-L399 HydrophobicContact CG1-CD1 4.25Å; V389-L399 HydrophobicContact CG1-CD2 3.85Å
390	F	87.8	Confident	82.8	Confident	1 Å²	1	59 Å²	59	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-79.8	-41	175.5	176.7	-94.4	0	0	0	112.4	Q387 D388 R396 L399 V402 E413 R416 V417 A420 L422	Q387-F390 CarbonylContact O-C 3.52Å; Q387-F390 WeakPolarHBondContact O-CA 3.34Å; Q387-F390 WeakPolarHBondContact O-CB 3.37Å; Q387-F390 PolarHBondContact O-N 2.87Å; D388-F390 PolarHBondContact O-N 3.14Å; F390-R396 HydrophobicContact CD2-CG 4.32Å; F390-R396 HydrophobicContact CE2-CG 4.32Å; F390-L399 HydrophobicContact CB-CD1 4.42Å; F390-L399 HydrophobicContact CD2-CD1 4.49Å; F390-V402 HydrophobicContact CB-CG1 3.99Å; F390-V402 HydrophobicContact CB-CG2 4.21Å; F390-V402 HydrophobicContact CD2-CG2 4.45Å; F390-E413 WeakPolarHBondContact CE1-OE1 3.33Å; F390-R416 HydrophobicContact CE1-CB 4.07Å; F390-R416 HydrophobicContact CZ-CB 4.36Å; F390-V417 HydrophobicContact CD1-CG2 3.65Å; F390-V417 HydrophobicContact CD2-CG2 4.24Å; F390-V417 HydrophobicContact CE1-CB 4.47Å; F390-V417 HydrophobicContact CE1-CG2 3.6Å; F390-V417 HydrophobicContact CE2-CB 4.48Å; F390-V417 HydrophobicContact CE2-CG2 4.19Å; F390-V417 HydrophobicContact CG-CG2 3.97Å; F390-V417 HydrophobicContact CZ-CB 4.3Å; F390-V417 HydrophobicContact CZ-CG2 3.88Å; F390-A420 HydrophobicContact CE2-CB 3.86Å; F390-A420 HydrophobicContact CZ-CB 4.2Å; F390-L422 HydrophobicContact CD2-CD1 3.78Å; F390-L422 HydrophobicContact CE2-CD1 3.87Å
391	D	84.8	Confident	82.9	Confident	47 Å²	47	48 Å²	48	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-43.6	-175.5	-72.2	-20	0	0	0	111.4	Q387 D388 K406 E413	Q387-D391 PolarHBondContact NE2-OD2 3.09Å; Q387-D391 PolarHBondContact O-N 3.37Å; D388-D391 PolarHBondContact O-N 3.27Å; D388-D391 VanDerWaalsContact O-N 3.17Å; D391-K406 IonicContact OD2-NZ 3.55Å; D391-E413 VanDerWaalsContact OD1-CD 3.31Å
392	Y	75.1	Confident	83	Confident	107 Å²	107	46.8 Å²	46.8	42%	0.42	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.2	-171.5	-57.8	-46.1	0	0	0	114.4	D388 K406	D388-Y392 HydrophobicContact CB-CD2 4.03Å; D388-Y392 HydrophobicContact CB-CE2 3.75Å; D388-Y392 WeakPolarHBondContact O-CB 3.34Å; D388-Y392 WeakPolarHBondContact O-CD2 3.44Å; D388-Y392 PolarHBondContact O-N 3.11Å; D388-Y392 WeakPolarHBondContact OD1-CE2 3.35Å; Y392-K406 PolarHBondContact OH-NZ 3.24Å; Y392-K406 VanDerWaalsContact OH-NZ 3.13Å
393	H	69.1	Low	83.3	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.037	20%	0.198	C	C	.	.			trans	-127.5	131.6	-169.5	-52.2	-24.5	0	0	0	113.8	S362 E365 A366 V389 R396	S362-H393 PolarHBondContact O-CE1 2.94Å; S362-H393 PolarHBondContact O-ND1 3.25Å; E365-H393 IonicContact OE2-CE1 2.86Å; A366-H393 WeakPolarHBondContact CA-NE2 3.34Å; A366-H393 HydrophobicContact CB-CB 4.4Å; A366-H393 WeakPolarHBondContact CB-ND1 3.1Å; A366-H393 PolarHBondContact N-CE1 3.02Å; V389-H393 WeakPolarHBondContact O-CB 3.44Å; V389-H393 PolarHBondContact O-CD2 3.06Å; V389-H393 VanDerWaalsContact O-CG 3.23Å; H393-R396 WeakPolarHBondContact O-CG 3.22Å; H393-R396 PolarHBondContact O-NE 2.88Å
394	E	61.2	Low	83.4	Confident	188 Å²	188	44.8 Å²	44.8	88%	0.879	20%	0.197	S	C	*	.	S	Bend	trans	-79.4	-29.8	174.6	-66.6	-177.1	167.5	0	0	112.2	R396	E394-R396 PolarHBondContact O-N 3.39Å; E394-R396 VanDerWaalsContact O-N 3.14Å
395	R	60.6	Low	83.3	Confident	176 Å²	176	46.2 Å²	46.2	66%	0.664	20%	0.202	S	C	*	.			trans	-83.9	89.2	178.8	-69.7	-175.3	179.2	-172.7	-0.1	110.1	E370 F398	E370-R395 IonicContact OE2-NH1 3.05Å; R395-F398 HydrophobicContact CB-CE1 4.04Å; R395-F398 WeakPolarHBondContact O-CD1 3.46Å; R395-F398 WeakPolarHBondContact O-CE1 3.48Å
396	R	70.4	Confident	83	Confident	93 Å²	93	48.3 Å²	48.3	35%	0.351	21%	0.212	S	C	.	.			trans	-99.1	-4.5	-174	-62.8	166.4	-176.3	-167	-4.9	114.3	F390 H393 E394 F398 L399	F390-R396 HydrophobicContact CD2-CG 4.32Å; F390-R396 HydrophobicContact CE2-CG 4.32Å; H393-R396 WeakPolarHBondContact O-CG 3.22Å; H393-R396 PolarHBondContact O-NE 2.88Å; E394-R396 PolarHBondContact O-N 3.39Å; E394-R396 VanDerWaalsContact O-N 3.14Å; R396-F398 VanDerWaalsContact C-N 3.3Å; R396-F398 PolarHBondContact O-N 3.04Å; R396-L399 PolarHBondContact O-N 2.84Å
397	K	68.4	Low	82.3	Confident	216 Å²	216	53.9 Å²	53.9	94%	0.939	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.4	-170.9	-68.7	-172.5	178.8	-177.8	0	114.4
398	F	75.4	Confident	81.9	Confident	34 Å²	34	56.2 Å²	56.2	15%	0.149	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.4	178.6	62.7	-100.1	0	0	0	112.8	I369 E370 V373 R395 R396	I369-F398 HydrophobicContact CG2-CE2 4.22Å; E370-F398 HydrophobicContact CB-CD1 4.39Å; E370-F398 HydrophobicContact CB-CE1 4.01Å; E370-F398 HydrophobicContact CB-CE2 4.47Å; E370-F398 HydrophobicContact CB-CZ 4.08Å; E370-F398 HydrophobicContact CG-CD1 4.03Å; E370-F398 HydrophobicContact CG-CE1 4.1Å; E370-F398 HydrophobicContact CG-CG 4.45Å; V373-F398 HydrophobicContact CB-CD2 4.1Å; V373-F398 HydrophobicContact CG1-CB 4.4Å; V373-F398 HydrophobicContact CG1-CD2 4.02Å; V373-F398 WeakPolarHBondContact CG1-O 3.18Å; V373-F398 HydrophobicContact CG2-CD2 4.09Å; V373-F398 HydrophobicContact CG2-CE2 4.31Å; R395-F398 HydrophobicContact CB-CE1 4.04Å; R395-F398 WeakPolarHBondContact O-CD1 3.46Å; R395-F398 WeakPolarHBondContact O-CE1 3.48Å; R396-F398 VanDerWaalsContact C-N 3.3Å; R396-F398 PolarHBondContact O-N 3.04Å
399	L	81.4	Confident	81.9	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.042	29%	0.289	C	S	.	.			trans	-76.6	148	178.4	-60.8	-179.6	0	0	0	110.5	V385 V389 F390 R396 V402 L422	V385-L399 HydrophobicContact CG1-CD2 4.4Å; V385-L399 HydrophobicContact CG2-CD2 3.85Å; V389-L399 HydrophobicContact CG1-CD1 4.25Å; V389-L399 HydrophobicContact CG1-CD2 3.85Å; F390-L399 HydrophobicContact CB-CD1 4.42Å; F390-L399 HydrophobicContact CD2-CD1 4.49Å; R396-L399 PolarHBondContact O-N 2.84Å; L399-V402 HydrophobicContact CD1-CG2 4.42Å; L399-L422 HydrophobicContact CB-CD1 3.98Å; L399-L422 HydrophobicContact CB-CD2 4.15Å; L399-L422 HydrophobicContact CD1-CD1 4.39Å; L399-L422 WeakPolarHBondContact O-CD2 3.27Å
400	S	83.8	Confident	82.1	Confident	45 Å²	45	62.7 Å²	62.7	32%	0.315	30%	0.3	S	S	.	.			trans	-119.4	-48.2	-180	-69.7	0	0	0	0	112.3	R423	S400-R423 PolarHBondContact O-N 2.85Å
401	V	93.4	Very high	82.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.8	-179.3	-171.7	0	0	0	0	108.2	Y329 I384 V385 R423 I425 I463	Y329-V401 HydrophobicContact CD1-CG2 4.46Å; Y329-V401 HydrophobicContact CE1-CG2 4.02Å; I384-V401 HydrophobicContact CB-CB 4.42Å; I384-V401 HydrophobicContact CG1-CB 3.96Å; I384-V401 HydrophobicContact CG1-CG1 4.17Å; I384-V401 HydrophobicContact CG1-CG2 4.37Å; I384-V401 HydrophobicContact CG2-CB 4.29Å; I384-V401 HydrophobicContact CG2-CG1 4.07Å; V385-V401 PolarHBondContact N-O 3.07Å; V401-R423 WeakPolarHBondContact CA-O 3.3Å; V401-R423 HydrophobicContact CG1-CB 4.4Å; V401-R423 HydrophobicContact CG2-CB 4.19Å; V401-I425 HydrophobicContact CG1-CD1 3.72Å; V401-I425 HydrophobicContact CG1-CG1 3.97Å; V401-I463 HydrophobicContact CG1-CD1 4.02Å
402	V	95.1	Very high	82.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.2	177.3	-178.2	0	0	0	0	109.2	V385 Q387 F390 L399 V417 L422 R423 V424 I425	V385-V402 HydrophobicContact CG2-CG2 4.3Å; V385-V402 CarbonylContact O-C 3.48Å; V385-V402 WeakPolarHBondContact O-CA 3.21Å; Q387-V402 HydrophobicContact CB-CG1 4.26Å; F390-V402 HydrophobicContact CB-CG1 3.99Å; F390-V402 HydrophobicContact CB-CG2 4.21Å; F390-V402 HydrophobicContact CD2-CG2 4.45Å; L399-V402 HydrophobicContact CD1-CG2 4.42Å; V402-V417 HydrophobicContact CB-CG1 3.94Å; V402-V417 HydrophobicContact CG1-CG2 4.32Å; V402-V417 HydrophobicContact CG2-CG1 4Å; V402-L422 HydrophobicContact CG2-CD1 4.03Å; V402-R423 PolarHBondContact N-O 3.29Å; V402-V424 WeakPolarHBondContact O-CA 3.49Å; V402-I425 PolarHBondContact O-N 3.31Å
403	E	97.1	Very high	83.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.1	176.3	-165.6	162.9	175	0	0	111.2	H331 I384 V385 W386 Q387 I425 A427	H331-E403 IonicContact CD2-OE2 3.68Å; H331-E403 IonicContact NE2-OE2 3.97Å; H331-E403 PolarHBondContact NE2-OE2 3.39Å; I384-E403 HydrophobicContact CG2-CB 4.4Å; V385-E403 PolarHBondContact O-N 2.78Å; W386-E403 HydrophobicContact CE3-CB 3.7Å; W386-E403 HydrophobicContact CE3-CG 3.73Å; W386-E403 HydrophobicContact CH2-CG 4.23Å; W386-E403 HydrophobicContact CZ3-CB 3.9Å; W386-E403 HydrophobicContact CZ3-CG 3.38Å; W386-E403 WeakPolarHBondContact CZ3-OE1 3.43Å; Q387-E403 PolarHBondContact N-O 3.35Å; E403-I425 WeakPolarHBondContact CA-O 3.46Å; E403-I425 HydrophobicContact CB-CB 4.31Å; E403-I425 HydrophobicContact CG-CB 3.95Å; E403-I425 HydrophobicContact CG-CG2 3.87Å; E403-A427 HydrophobicContact CG-CB 4.16Å; E403-A427 WeakPolarHBondContact OE1-CB 3.37Å
404	V	96.1	Very high	84.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.2	-175.3	178.3	0	0	0	0	109.6	E413 V414 V424 I425 L426 A427 S428	V404-E413 HydrophobicContact CG1-CB 4.14Å; V404-V414 HydrophobicContact CB-CG2 4.41Å; V404-V414 HydrophobicContact CG1-CG2 4.38Å; V404-V414 HydrophobicContact CG2-CG2 4.25Å; V404-V424 HydrophobicContact CG2-CG1 3.87Å; V404-I425 PolarHBondContact N-O 2.92Å; V404-L426 HydrophobicContact CB-CD1 4.44Å; V404-L426 HydrophobicContact CG1-CD1 4.43Å; V404-A427 PolarHBondContact O-N 3.49Å; V404-S428 PolarHBondContact O-N 3.44Å
405	W	93.1	Very high	86.4	Confident	31 Å²	31	54.7 Å²	54.7	12%	0.117	27%	0.267	C	S	.	.			trans	-126.3	-28.7	-167.1	78.9	-98.7	0	0	0	114	D335 E336 W386 Q387 D388 S428 Y431	D335-W405 HydrophobicContact CB-CZ2 4.34Å; E336-W405 HydrophobicContact CG-CH2 3.93Å; E336-W405 HydrophobicContact CG-CZ2 3.89Å; E336-W405 WeakPolarHBondContact OE1-CH2 3.36Å; W386-W405 AromaticContact CD2-CD1 3.98Å; W386-W405 HydrophobicContact CD2-CG 4.5Å; W386-W405 HydrophobicContact CE3-CB 3.7Å; W386-W405 AromaticContact CE3-CD1 3.51Å; W386-W405 AromaticContact CE3-CG 3.8Å; W386-W405 HydrophobicContact CE3-CG 3.8Å; W386-W405 HydrophobicContact CZ3-CB 3.69Å; W386-W405 HydrophobicContact CZ3-CG 4.23Å; Q387-W405 HydrophobicContact CG-CG 4.49Å; D388-W405 PolarHBondContact OD2-NE1 3.04Å; W405-S428 VanDerWaalsContact O-CA 3.28Å; W405-S428 WeakPolarHBondContact O-CA 3.46Å; W405-S428 WeakPolarHBondContact O-CB 3.28Å; W405-S428 PolarHBondContact O-OG 3.02Å; W405-Y431 HydrophobicContact CB-CE2 4.27Å; W405-Y431 WeakPolarHBondContact CB-OH 3.39Å; W405-Y431 HydrophobicContact CE3-CE1 4.37Å; W405-Y431 AromaticContact CE3-CZ 3.9Å; W405-Y431 VanDerWaalsContact CE3-OH 3.25Å
406	K	88.7	Confident	87.9	Confident	46 Å²	46	52.8 Å²	52.8	20%	0.2	26%	0.26	C	S	.	.			trans	-64.5	142.9	-176.4	-67.4	-175.3	-174.9	165.2	0	111.5	Q387 D388 D391 Y392 S428	Q387-K406 VanDerWaalsContact CD-CG 3.44Å; Q387-K406 HydrophobicContact CG-CD 4.2Å; Q387-K406 HydrophobicContact CG-CG 4.02Å; D388-K406 VanDerWaalsContact CG-CE 3.44Å; D388-K406 WeakPolarHBondContact OD1-CE 3.32Å; D388-K406 IonicContact OD1-NZ 3.9Å; D388-K406 PolarHBondContact OD1-NZ 3.36Å; D388-K406 WeakPolarHBondContact OD2-CE 3.5Å; D388-K406 IonicContact OD2-NZ 2.69Å; D388-K406 PolarHBondContact OD2-NZ 3.12Å; D391-K406 IonicContact OD2-NZ 3.55Å; Y392-K406 PolarHBondContact OH-NZ 3.24Å; Y392-K406 VanDerWaalsContact OH-NZ 3.13Å; K406-S428 WeakPolarHBondContact O-CB 3.24Å; K406-S428 PolarHBondContact O-OG 3.48Å
407	Q	79.7	Confident	89	Confident	117 Å²	117	48.4 Å²	48.4	55%	0.547	24%	0.243	S	C	.	.	S	Bend	trans	-72	150.6	173.7	-59.3	-169.7	13.2	0	0	110.8	Q434	Q407-Q434 VanDerWaalsContact NE2-CD 3.28Å
408	G	83.4	Confident	90.2	Very high	59 Å²	59	38.2 Å²	38.2	61%	0.608	20%	0.2	S	C	*	.	S	Bend	trans	127.2	-144.1	-176.8	0	0	0	0	0	111.9	Y410	G408-Y410 PolarHBondContact O-N 3.03Å
409	C	88.7	Confident	91	Very high	80 Å²	80	42.2 Å²	42.2	54%	0.541	22%	0.217	S	C	.	.			trans	-77.8	70.1	174.1	-168.7	0	0	0	0	111.1	L411 C412 E413	C409-L411 PolarHBondContact O-N 2.94Å; C409-C412 HydrophobicContact CB-CB 3.65Å; C409-C412 WeakPolarHBondContact CB-SG 3.31Å; C409-C412 WeakPolarHBondContact O-CA 3.48Å; C409-C412 WeakPolarHBondContact O-CB 3.29Å; C409-C412 PolarHBondContact O-N 2.86Å; C409-C412 WeakPolarHBondContact SG-CB 3.47Å; C409-C412 PolarHBondContact SG-N 3Å; C409-C412 CovalentContact SG-SG 2.03Å; C409-C412 PolarHBondContact SG-SG 3.39Å; C409-E413 PolarHBondContact O-N 2.76Å
410	Y	91.6	Very high	91.4	Very high	60 Å²	60	44.1 Å²	44.1	24%	0.235	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-37.8	179.4	61.2	-94.4	0	0	0	112.1	G408 C412 E413 V414 L426 P429	G408-Y410 PolarHBondContact O-N 3.03Å; Y410-C412 VanDerWaalsContact C-N 3.3Å; Y410-C412 PolarHBondContact O-N 3.35Å; Y410-E413 PolarHBondContact O-N 2.94Å; Y410-E413 VanDerWaalsContact O-N 3.11Å; Y410-V414 WeakPolarHBondContact O-CG2 3.33Å; Y410-V414 PolarHBondContact O-N 3.33Å; Y410-L426 HydrophobicContact CD2-CD1 3.68Å; Y410-L426 HydrophobicContact CD2-CD2 4.22Å; Y410-L426 HydrophobicContact CE2-CD1 4.44Å; Y410-L426 HydrophobicContact CE2-CD2 4.2Å; Y410-L426 HydrophobicContact CG-CD1 4.3Å; Y410-P429 HydrophobicContact CE1-CB 4.4Å; Y410-P429 HydrophobicContact CE2-CG 4.39Å
411	L	92.7	Very high	91.8	Very high	35 Å²	35	44.4 Å²	44.4	18%	0.183	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-27.9	174.7	-66.9	177.3	0	0	0	113.6	C409 E413 R415 A451 F452	C409-L411 PolarHBondContact O-N 2.94Å; L411-E413 VanDerWaalsContact C-N 3.29Å; L411-R415 VanDerWaalsContact O-CB 3.31Å; L411-R415 WeakPolarHBondContact O-CB 3.36Å; L411-R415 PolarHBondContact O-N 3.09Å; L411-A451 HydrophobicContact CD1-CB 4.11Å; L411-F452 HydrophobicContact CB-CB 4.32Å; L411-F452 HydrophobicContact CD2-CD1 4.39Å
412	C	93.4	Very high	91.8	Very high	47 Å²	47	45.1 Å²	45.1	32%	0.318	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-39	172.5	-64.3	0	0	0	0	110.6	C409 Y410 R416	C409-C412 HydrophobicContact CB-CB 3.65Å; C409-C412 WeakPolarHBondContact CB-SG 3.31Å; C409-C412 WeakPolarHBondContact O-CA 3.48Å; C409-C412 WeakPolarHBondContact O-CB 3.29Å; C409-C412 PolarHBondContact O-N 2.86Å; C409-C412 WeakPolarHBondContact SG-CB 3.47Å; C409-C412 PolarHBondContact SG-N 3Å; C409-C412 CovalentContact SG-SG 2.03Å; C409-C412 PolarHBondContact SG-SG 3.39Å; Y410-C412 VanDerWaalsContact C-N 3.3Å; Y410-C412 PolarHBondContact O-N 3.35Å; C412-R416 WeakPolarHBondContact O-CG 3.49Å; C412-R416 PolarHBondContact O-N 3.09Å; C412-R416 VanDerWaalsContact O-N 3.12Å
413	E	93.1	Very high	91.8	Very high	18 Å²	18	48 Å²	48	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-75.6	-44.7	-179.6	-152.7	51.1	-114.4	0	0	111.4	F390 D391 V404 C409 Y410 L411 R415 R416 V417	F390-E413 WeakPolarHBondContact CE1-OE1 3.33Å; D391-E413 VanDerWaalsContact OD1-CD 3.31Å; V404-E413 HydrophobicContact CG1-CB 4.14Å; C409-E413 PolarHBondContact O-N 2.76Å; Y410-E413 PolarHBondContact O-N 2.94Å; Y410-E413 VanDerWaalsContact O-N 3.11Å; L411-E413 VanDerWaalsContact C-N 3.29Å; E413-R415 PolarHBondContact O-N 3.47Å; E413-R416 WeakPolarHBondContact O-CA 3.12Å; E413-R416 WeakPolarHBondContact O-CB 3.29Å; E413-R416 PolarHBondContact O-N 3Å; E413-R416 WeakPolarHBondContact OE1-CB 3.17Å; E413-R416 VanDerWaalsContact OE1-CD 3.27Å; E413-R416 WeakPolarHBondContact OE1-CD 3.11Å; E413-R416 WeakPolarHBondContact OE2-CD 3.27Å; E413-R416 IonicContact OE2-CZ 3.79Å; E413-R416 IonicContact OE2-NE 3.98Å; E413-R416 IonicContact OE2-NH1 3.21Å; E413-R416 PolarHBondContact OE2-NH1 3.4Å; E413-V417 WeakPolarHBondContact O-CG2 3.43Å; E413-V417 PolarHBondContact O-N 3.1Å
414	V	93.4	Very high	91.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-48.9	-48.6	169.1	172.9	0	0	0	0	110.2	V404 Y410 R416 V417 V418 V424 L426 F452 V462	V404-V414 HydrophobicContact CB-CG2 4.41Å; V404-V414 HydrophobicContact CG1-CG2 4.38Å; V404-V414 HydrophobicContact CG2-CG2 4.25Å; Y410-V414 WeakPolarHBondContact O-CG2 3.33Å; Y410-V414 PolarHBondContact O-N 3.33Å; V414-R416 VanDerWaalsContact C-N 3.33Å; V414-R416 PolarHBondContact O-N 3.14Å; V414-V417 PolarHBondContact O-N 3.3Å; V414-V418 HydrophobicContact CG1-CG1 4.43Å; V414-V418 WeakPolarHBondContact O-CG1 3.38Å; V414-V418 WeakPolarHBondContact O-CG2 3.48Å; V414-V418 PolarHBondContact O-N 3.05Å; V414-V424 HydrophobicContact CB-CG1 4.48Å; V414-V424 HydrophobicContact CG1-CG1 4.22Å; V414-V424 HydrophobicContact CG2-CG1 4.05Å; V414-L426 HydrophobicContact CG2-CD1 4.13Å; V414-F452 HydrophobicContact CG1-CD1 4.06Å; V414-F452 HydrophobicContact CG1-CE1 3.7Å; V414-F452 HydrophobicContact CG1-CZ 4.09Å; V414-V462 HydrophobicContact CG1-CG2 3.8Å
415	R	94.2	Very high	91.7	Very high	81 Å²	81	48 Å²	48	31%	0.306	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-35.2	177.8	-176	-178.8	60.3	96.8	10.7	113.1	L411 E413 K419 F452 K453	L411-R415 VanDerWaalsContact O-CB 3.31Å; L411-R415 WeakPolarHBondContact O-CB 3.36Å; L411-R415 PolarHBondContact O-N 3.09Å; E413-R415 PolarHBondContact O-N 3.47Å; R415-K419 HydrophobicContact CG-CD 4.35Å; R415-K419 VanDerWaalsContact O-CB 3.26Å; R415-K419 WeakPolarHBondContact O-CB 3.44Å; R415-K419 WeakPolarHBondContact O-CG 3.47Å; R415-K419 PolarHBondContact O-N 2.99Å; R415-F452 HydrophobicContact CB-CD2 3.94Å; R415-F452 HydrophobicContact CB-CG 4.46Å; R415-F452 HydrophobicContact CG-CD2 4.13Å; R415-K453 WeakPolarHBondContact CD-O 3.28Å
416	R	92.9	Very high	91.9	Very high	137 Å²	137	46.5 Å²	46.5	52%	0.517	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-43.8	176.9	-77.2	169.5	169.3	178.6	-3.9	111.3	F390 C412 E413 V414 K419 A420	F390-R416 HydrophobicContact CE1-CB 4.07Å; F390-R416 HydrophobicContact CZ-CB 4.36Å; C412-R416 WeakPolarHBondContact O-CG 3.49Å; C412-R416 PolarHBondContact O-N 3.09Å; C412-R416 VanDerWaalsContact O-N 3.12Å; E413-R416 WeakPolarHBondContact O-CA 3.12Å; E413-R416 WeakPolarHBondContact O-CB 3.29Å; E413-R416 PolarHBondContact O-N 3Å; E413-R416 WeakPolarHBondContact OE1-CB 3.17Å; E413-R416 VanDerWaalsContact OE1-CD 3.27Å; E413-R416 WeakPolarHBondContact OE1-CD 3.11Å; E413-R416 WeakPolarHBondContact OE2-CD 3.27Å; E413-R416 IonicContact OE2-CZ 3.79Å; E413-R416 IonicContact OE2-NE 3.98Å; E413-R416 IonicContact OE2-NH1 3.21Å; E413-R416 PolarHBondContact OE2-NH1 3.4Å; V414-R416 VanDerWaalsContact C-N 3.33Å; V414-R416 PolarHBondContact O-N 3.14Å; R416-K419 PolarHBondContact O-N 3.16Å; R416-A420 PolarHBondContact O-N 3.47Å; R416-A420 VanDerWaalsContact O-N 3.16Å
417	V	92.5	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-48.2	-179.4	-178.5	0	0	0	0	111.4	F390 V402 E413 V414 K419 A420 G421 L422 V424	F390-V417 HydrophobicContact CD1-CG2 3.65Å; F390-V417 HydrophobicContact CD2-CG2 4.24Å; F390-V417 HydrophobicContact CE1-CB 4.47Å; F390-V417 HydrophobicContact CE1-CG2 3.6Å; F390-V417 HydrophobicContact CE2-CB 4.48Å; F390-V417 HydrophobicContact CE2-CG2 4.19Å; F390-V417 HydrophobicContact CG-CG2 3.97Å; F390-V417 HydrophobicContact CZ-CB 4.3Å; F390-V417 HydrophobicContact CZ-CG2 3.88Å; V402-V417 HydrophobicContact CB-CG1 3.94Å; V402-V417 HydrophobicContact CG1-CG2 4.32Å; V402-V417 HydrophobicContact CG2-CG1 4Å; E413-V417 WeakPolarHBondContact O-CG2 3.43Å; E413-V417 PolarHBondContact O-N 3.1Å; V414-V417 PolarHBondContact O-N 3.3Å; V417-K419 VanDerWaalsContact C-N 3.27Å; V417-K419 PolarHBondContact O-N 3.4Å; V417-A420 WeakPolarHBondContact O-CA 3Å; V417-A420 WeakPolarHBondContact O-CB 3.44Å; V417-A420 PolarHBondContact O-N 3.32Å; V417-G421 PolarHBondContact O-N 3.2Å; V417-L422 HydrophobicContact CG1-CB 3.64Å; V417-L422 HydrophobicContact CG1-CD1 4.3Å; V417-L422 PolarHBondContact O-N 3.36Å; V417-V424 HydrophobicContact CB-CG2 3.56Å; V417-V424 HydrophobicContact CG1-CG2 3.32Å
418	V	93.9	Very high	92.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-28.9	178.1	-57.4	0	0	0	0	112.5	V414 A420 G421 V424 F452 Q458 L461 V462	V414-V418 HydrophobicContact CG1-CG1 4.43Å; V414-V418 WeakPolarHBondContact O-CG1 3.38Å; V414-V418 WeakPolarHBondContact O-CG2 3.48Å; V414-V418 PolarHBondContact O-N 3.05Å; V418-A420 VanDerWaalsContact C-N 3.27Å; V418-A420 PolarHBondContact O-N 3.4Å; V418-G421 PolarHBondContact O-N 2.98Å; V418-V424 HydrophobicContact CG1-CB 4.41Å; V418-V424 HydrophobicContact CG1-CG2 3.67Å; V418-F452 HydrophobicContact CG2-CE2 3.85Å; V418-F452 HydrophobicContact CG2-CZ 4.16Å; V418-Q458 HydrophobicContact CB-CB 4.26Å; V418-Q458 WeakPolarHBondContact CB-O 3.18Å; V418-Q458 WeakPolarHBondContact CG1-O 3.44Å; V418-Q458 HydrophobicContact CG2-CB 3.89Å; V418-Q458 HydrophobicContact CG2-CG 4.35Å; V418-L461 HydrophobicContact CB-CB 4.21Å; V418-L461 HydrophobicContact CB-CD1 4.16Å; V418-L461 HydrophobicContact CG1-CB 3.87Å; V418-L461 WeakPolarHBondContact O-CD1 3.34Å; V418-V462 HydrophobicContact CG1-CG2 4.09Å
419	K	92.1	Very high	93.2	Very high	118 Å²	118	37 Å²	37	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-30.4	171.4	-85.5	-180	175.2	-161	0	112.5	R415 R416 V417 G421	R415-K419 HydrophobicContact CG-CD 4.35Å; R415-K419 VanDerWaalsContact O-CB 3.26Å; R415-K419 WeakPolarHBondContact O-CB 3.44Å; R415-K419 WeakPolarHBondContact O-CG 3.47Å; R415-K419 PolarHBondContact O-N 2.99Å; R416-K419 PolarHBondContact O-N 3.16Å; V417-K419 VanDerWaalsContact C-N 3.27Å; V417-K419 PolarHBondContact O-N 3.4Å; K419-G421 PolarHBondContact O-N 3.3Å
420	A	90.4	Very high	93.4	Very high	48 Å²	48	33.2 Å²	33.2	40%	0.397	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-3.3	172.2	0	0	0	0	0	112.9	F390 R416 V417 V418 L422	F390-A420 HydrophobicContact CE2-CB 3.86Å; F390-A420 HydrophobicContact CZ-CB 4.2Å; R416-A420 PolarHBondContact O-N 3.47Å; R416-A420 VanDerWaalsContact O-N 3.16Å; V417-A420 WeakPolarHBondContact O-CA 3Å; V417-A420 WeakPolarHBondContact O-CB 3.44Å; V417-A420 PolarHBondContact O-N 3.32Å; V418-A420 VanDerWaalsContact C-N 3.27Å; V418-A420 PolarHBondContact O-N 3.4Å; A420-L422 HydrophobicContact CB-CD1 4.45Å; A420-L422 HydrophobicContact CB-CG 4.39Å
421	G	91.9	Very high	93.4	Very high	51 Å²	51	31.5 Å²	31.5	53%	0.526	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	13.6	179.3	0	0	0	0	0	114.3	V417 V418 K419	V417-G421 PolarHBondContact O-N 3.2Å; V418-G421 PolarHBondContact O-N 2.98Å; K419-G421 PolarHBondContact O-N 3.3Å
422	L	93	Very high	93.3	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.079	16%	0.155	C	C	.	.			trans	-93.7	152.4	-179.1	-61.2	176.7	0	0	0	111.3	F390 L399 V402 V417 A420	F390-L422 HydrophobicContact CD2-CD1 3.78Å; F390-L422 HydrophobicContact CE2-CD1 3.87Å; L399-L422 HydrophobicContact CB-CD1 3.98Å; L399-L422 HydrophobicContact CB-CD2 4.15Å; L399-L422 HydrophobicContact CD1-CD1 4.39Å; L399-L422 WeakPolarHBondContact O-CD2 3.27Å; V402-L422 HydrophobicContact CG2-CD1 4.03Å; V417-L422 HydrophobicContact CG1-CB 3.64Å; V417-L422 HydrophobicContact CG1-CD1 4.3Å; V417-L422 PolarHBondContact O-N 3.36Å; A420-L422 HydrophobicContact CB-CD1 4.45Å; A420-L422 HydrophobicContact CB-CG 4.39Å
423	R	95.1	Very high	92.7	Very high	60 Å²	60	28.6 Å²	28.6	23%	0.226	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	146.4	173.8	-65.6	-178.4	-69.2	163.7	-3.9	110.6	Q120 Y329 S400 V401 V402 L461 I463	Q120-R423 VanDerWaalsContact OE1-NH1 3.08Å; Y329-R423 PolarHBondContact OH-NH1 3.26Å; Y329-R423 PolarHBondContact OH-NH2 3.1Å; S400-R423 PolarHBondContact O-N 2.85Å; V401-R423 WeakPolarHBondContact CA-O 3.3Å; V401-R423 HydrophobicContact CG1-CB 4.4Å; V401-R423 HydrophobicContact CG2-CB 4.19Å; V402-R423 PolarHBondContact N-O 3.29Å; R423-L461 CarbonylContact C-O 3.42Å; R423-L461 VanDerWaalsContact CA-O 3.28Å; R423-L461 WeakPolarHBondContact CA-O 3.45Å; R423-L461 HydrophobicContact CG-CD2 4.12Å; R423-I463 HydrophobicContact CB-CD1 4.47Å; R423-I463 HydrophobicContact CB-CG2 4.17Å; R423-I463 HydrophobicContact CG-CG2 4.19Å
424	V	95.6	Very high	91.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.8	-174	179.6	0	0	0	0	111.7	V402 V404 V414 V417 V418 L461 I463	V402-V424 WeakPolarHBondContact O-CA 3.49Å; V404-V424 HydrophobicContact CG2-CG1 3.87Å; V414-V424 HydrophobicContact CB-CG1 4.48Å; V414-V424 HydrophobicContact CG1-CG1 4.22Å; V414-V424 HydrophobicContact CG2-CG1 4.05Å; V417-V424 HydrophobicContact CB-CG2 3.56Å; V417-V424 HydrophobicContact CG1-CG2 3.32Å; V418-V424 HydrophobicContact CG1-CB 4.41Å; V418-V424 HydrophobicContact CG1-CG2 3.67Å; V424-L461 PolarHBondContact N-O 2.91Å; V424-I463 VanDerWaalsContact O-CG1 3.29Å; V424-I463 WeakPolarHBondContact O-CG1 3.45Å; V424-I463 PolarHBondContact O-N 3.2Å
425	I	97	Very high	90.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133	163.7	-61.8	165.6	0	0	0	107.4	Y182 I384 V401 V402 E403 V404 I463 E466	Y182-I425 HydrophobicContact CD1-CD1 4.15Å; Y182-I425 HydrophobicContact CD1-CG1 4.09Å; Y182-I425 HydrophobicContact CD1-CG2 3.87Å; Y182-I425 HydrophobicContact CD2-CD1 3.9Å; Y182-I425 HydrophobicContact CD2-CG1 4.38Å; Y182-I425 HydrophobicContact CE1-CD1 3.92Å; Y182-I425 HydrophobicContact CE1-CG1 4.25Å; Y182-I425 HydrophobicContact CE1-CG2 3.69Å; Y182-I425 HydrophobicContact CE2-CD1 3.64Å; Y182-I425 HydrophobicContact CG-CD1 4.16Å; Y182-I425 HydrophobicContact CG-CG1 4.17Å; I384-I425 HydrophobicContact CD1-CD1 4.12Å; I384-I425 HydrophobicContact CG2-CD1 4.12Å; V401-I425 HydrophobicContact CG1-CD1 3.72Å; V401-I425 HydrophobicContact CG1-CG1 3.97Å; V402-I425 PolarHBondContact O-N 3.31Å; E403-I425 WeakPolarHBondContact CA-O 3.46Å; E403-I425 HydrophobicContact CB-CB 4.31Å; E403-I425 HydrophobicContact CG-CB 3.95Å; E403-I425 HydrophobicContact CG-CG2 3.87Å; V404-I425 PolarHBondContact N-O 2.92Å; I425-I463 HydrophobicContact CD1-CD1 4.17Å; I425-I463 HydrophobicContact CG1-CD1 3.76Å; I425-I463 HydrophobicContact CG1-CG1 3.84Å; I425-E466 HydrophobicContact CG2-CB 4.16Å
426	L	96.7	Very high	88.3	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.9	177.8	179.1	63.5	0	0	0	110.9	V404 Y410 V414 P429 W430 V447 P449 G464 G465 E466	V404-L426 HydrophobicContact CB-CD1 4.44Å; V404-L426 HydrophobicContact CG1-CD1 4.43Å; Y410-L426 HydrophobicContact CD2-CD1 3.68Å; Y410-L426 HydrophobicContact CD2-CD2 4.22Å; Y410-L426 HydrophobicContact CE2-CD1 4.44Å; Y410-L426 HydrophobicContact CE2-CD2 4.2Å; Y410-L426 HydrophobicContact CG-CD1 4.3Å; V414-L426 HydrophobicContact CG2-CD1 4.13Å; L426-P429 HydrophobicContact CD1-CG 4.42Å; L426-P429 HydrophobicContact CD2-CG 4.09Å; L426-P429 HydrophobicContact CG-CG 4.12Å; L426-W430 HydrophobicContact CB-CZ3 4.36Å; L426-W430 HydrophobicContact CD2-CZ3 4.32Å; L426-W430 HydrophobicContact CG-CZ3 4.26Å; L426-W430 WeakPolarHBondContact O-CZ3 3.33Å; L426-V447 HydrophobicContact CD2-CG1 4.36Å; L426-P449 HydrophobicContact CD2-CB 3.98Å; L426-P449 HydrophobicContact CD2-CG 4.12Å; L426-G464 PolarHBondContact N-O 3.37Å; L426-G464 VanDerWaalsContact N-O 3.08Å; L426-G465 CarbonylContact O-C 3.11Å; L426-G465 WeakPolarHBondContact O-CA 3.4Å; L426-E466 PolarHBondContact O-N 3.12Å
427	A	95.1	Very high	86.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.			trans	-121.3	-31.2	177.5	0	0	0	0	0	113.3	W386 E403 V404 P429 W430 Y431 E466	W386-A427 HydrophobicContact CZ3-CB 4.42Å; E403-A427 HydrophobicContact CG-CB 4.16Å; E403-A427 WeakPolarHBondContact OE1-CB 3.37Å; V404-A427 PolarHBondContact O-N 3.49Å; A427-P429 VanDerWaalsContact C-CD 3.46Å; A427-P429 VanDerWaalsContact O-N 3.11Å; A427-W430 PolarHBondContact O-N 3.41Å; A427-Y431 HydrophobicContact CB-CE2 4.38Å; A427-E466 HydrophobicContact CB-CB 4.36Å
428	S	92.1	Very high	84.2	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.063	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-41	-49.6	-173.8	175	0	0	0	0	116.5	V404 W405 K406 W430	V404-S428 PolarHBondContact O-N 3.44Å; W405-S428 VanDerWaalsContact O-CA 3.28Å; W405-S428 WeakPolarHBondContact O-CA 3.46Å; W405-S428 WeakPolarHBondContact O-CB 3.28Å; W405-S428 PolarHBondContact O-OG 3.02Å; K406-S428 WeakPolarHBondContact O-CB 3.24Å; K406-S428 PolarHBondContact O-OG 3.48Å; S428-W430 VanDerWaalsContact C-N 3.28Å; S428-W430 PolarHBondContact O-N 3.42Å
429	P	91.2	Very high	82.6	Confident	13 Å²	13	42.5 Å²	42.5	8%	0.084	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-79.1	-7.3	-177.9	33.3	-36.8	0	0	0	114.3	Y410 L426 A427 Y444 V447	Y410-P429 HydrophobicContact CE1-CB 4.4Å; Y410-P429 HydrophobicContact CE2-CG 4.39Å; L426-P429 HydrophobicContact CD1-CG 4.42Å; L426-P429 HydrophobicContact CD2-CG 4.09Å; L426-P429 HydrophobicContact CG-CG 4.12Å; A427-P429 VanDerWaalsContact C-CD 3.46Å; A427-P429 VanDerWaalsContact O-N 3.11Å; P429-Y444 WeakPolarHBondContact O-CD1 3.45Å; P429-V447 HydrophobicContact CB-CG1 4.03Å; P429-V447 HydrophobicContact CB-CG2 3.65Å; P429-V447 HydrophobicContact CG-CB 4.44Å; P429-V447 HydrophobicContact CG-CG1 3.55Å; P429-V447 HydrophobicContact CG-CG2 4.02Å
430	W	92.9	Very high	81.9	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-115.9	40.5	-173.5	-63	-51.8	0	0	0	113.1	L426 A427 S428 L432 Y444 V447 P449 E466 V467 C468 A490 R493 L494	L426-W430 HydrophobicContact CB-CZ3 4.36Å; L426-W430 HydrophobicContact CD2-CZ3 4.32Å; L426-W430 HydrophobicContact CG-CZ3 4.26Å; L426-W430 WeakPolarHBondContact O-CZ3 3.33Å; A427-W430 PolarHBondContact O-N 3.41Å; S428-W430 VanDerWaalsContact C-N 3.28Å; S428-W430 PolarHBondContact O-N 3.42Å; W430-L432 WeakPolarHBondContact O-CD1 3.14Å; W430-Y444 AromaticContact CD1-CD1 3.78Å; W430-Y444 PolarHBondContact NE1-O 3.18Å; W430-V447 HydrophobicContact CH2-CG1 4.3Å; W430-V447 HydrophobicContact CZ2-CB 3.94Å; W430-V447 HydrophobicContact CZ2-CG1 3.81Å; W430-P449 HydrophobicContact CH2-CG 3.71Å; W430-P449 HydrophobicContact CZ2-CG 4.39Å; W430-E466 WeakPolarHBondContact CB-O 3.44Å; W430-V467 HydrophobicContact CB-CG2 4.35Å; W430-C468 PolarHBondContact O-N 3.42Å; W430-A490 HydrophobicContact CD2-CB 4.12Å; W430-A490 HydrophobicContact CG-CB 4.05Å; W430-A490 HydrophobicContact CZ2-CB 4.44Å; W430-R493 HydrophobicContact CZ2-CB 4.33Å; W430-R493 HydrophobicContact CZ2-CG 4.01Å; W430-L494 HydrophobicContact CH2-CD1 4.45Å; W430-L494 HydrophobicContact CH2-CD2 3.63Å; W430-L494 HydrophobicContact CH2-CG 4.02Å; W430-L494 HydrophobicContact CZ3-CD1 4.46Å; W430-L494 HydrophobicContact CZ3-CD2 4.02Å; W430-L494 HydrophobicContact CZ3-CG 4.47Å
431	Y	91.8	Very high	81.8	Confident	24 Å²	24	39.3 Å²	39.3	9%	0.094	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-82.2	114.5	166.6	-84.7	-126	0	0	0	109.8	W405 A427 D433 Y444 C468 W470	W405-Y431 HydrophobicContact CB-CE2 4.27Å; W405-Y431 WeakPolarHBondContact CB-OH 3.39Å; W405-Y431 HydrophobicContact CE3-CE1 4.37Å; W405-Y431 AromaticContact CE3-CZ 3.9Å; W405-Y431 VanDerWaalsContact CE3-OH 3.25Å; A427-Y431 HydrophobicContact CB-CE2 4.38Å; Y431-D433 WeakPolarHBondContact CD1-OD1 3.49Å; Y431-Y444 PolarHBondContact O-OH 3.49Å; Y431-Y444 VanDerWaalsContact O-OH 3.12Å; Y431-C468 HydrophobicContact CD2-CB 3.9Å; Y431-C468 HydrophobicContact CE2-CB 3.88Å; Y431-C468 HydrophobicContact CG-CB 4.24Å; Y431-W470 AromaticContact CD1-CD1 3.73Å; Y431-W470 AromaticContact CD1-NE1 3.8Å; Y431-W470 AromaticContact CE1-CD1 3.44Å; Y431-W470 VanDerWaalsContact CE1-CD1 3.44Å; Y431-W470 AromaticContact CE1-NE1 3.07Å; Y431-W470 AromaticContact CZ-NE1 3.36Å; Y431-W470 PolarHBondContact OH-NE1 3.06Å
432	L	90.2	Very high	81.7	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.211	C	C	.	.			trans	-101.1	-8.5	-176.2	-88.8	61.1	0	0	0	113.2	W430 Y444 V467 C468 L469 L483 R486 A487	W430-L432 WeakPolarHBondContact O-CD1 3.14Å; L432-Y444 HydrophobicContact CD1-CD1 4.26Å; L432-Y444 HydrophobicContact CD1-CD2 4.37Å; L432-Y444 HydrophobicContact CD1-CE1 3.8Å; L432-Y444 HydrophobicContact CD1-CE2 3.97Å; L432-Y444 HydrophobicContact CG-CE2 4.16Å; L432-V467 HydrophobicContact CD1-CG1 3.55Å; L432-V467 HydrophobicContact CD2-CG1 3.58Å; L432-V467 HydrophobicContact CG-CG1 4.09Å; L432-C468 PolarHBondContact N-O 2.99Å; L432-L469 HydrophobicContact CB-CD1 3.9Å; L432-L483 HydrophobicContact CD2-CD1 4.07Å; L432-R486 HydrophobicContact CD2-CB 3.8Å; L432-R486 HydrophobicContact CG-CB 4.36Å; L432-R486 PolarHBondContact O-NH1 3.28Å; L432-R486 PolarHBondContact O-NH2 2.92Å; L432-A487 HydrophobicContact CD2-CB 4.31Å
433	D	81.4	Confident	81.4	Confident	19 Å²	19	43.1 Å²	43.1	10%	0.102	23%	0.232	C	C	.	.	S	Bend	trans	-75.2	-33.9	178.6	56.8	-71.2	0	0	0	113.2	Y431 L469 W470	Y431-D433 WeakPolarHBondContact CD1-OD1 3.49Å; D433-L469 HydrophobicContact CB-CD1 4.34Å; D433-W470 HydrophobicContact CB-CB 3.99Å
434	Q	71.9	Confident	81.2	Confident	98 Å²	98	40.6 Å²	40.6	46%	0.458	22%	0.222	S	C	.	.			trans	-67	124.6	-169.5	-64.8	-150.1	-19.6	0	0	113.2	Q407 G436	Q407-Q434 VanDerWaalsContact NE2-CD 3.28Å; Q434-G436 PolarHBondContact O-N 2.7Å
435	P	59.8	Low	81	Confident	107 Å²	107	40.7 Å²	40.7	70%	0.695	22%	0.223	S	C	*	.			trans	-74.5	111	175.1	29.4	-31.2	0	0	0	109.3
436	G	57.3	Low	80.7	Confident	28 Å²	28	44.5 Å²	44.5	29%	0.289	24%	0.243	S	C	.	.	S	Bend	trans	-150	171.8	175.1	0	0	0	0	0	111.9	Q434 T438	Q434-G436 PolarHBondContact O-N 2.7Å; G436-T438 PolarHBondContact O-N 3.12Å
437	P	48.9	Very low	80.4	Confident	143 Å²	143	44.9 Å²	44.9	93%	0.929	25%	0.246	S	C	*	.	S	Bend	trans	-68	26.9	177.8	27.5	-32.1	0	0	0	113.6
438	T	49.6	Very low	80.2	Confident	54 Å²	54	49.8 Å²	49.8	33%	0.331	26%	0.264	S	S	.	.			trans	-140.8	51.4	-161.4	59.9	0	0	0	0	112.6	G436 N440	G436-T438 PolarHBondContact O-N 3.12Å; T438-N440 PolarHBondContact O-N 2.57Å
439	H	60.5	Low	80.2	Confident	103 Å²	103	49.4 Å²	49.4	48%	0.477	26%	0.261	S	S	.	.			trans	-71.8	27.6	159.2	-67.7	88.8	0	0	0	111.6	W441	H439-W441 PolarHBondContact O-N 2.91Å
440	N	78.1	Confident	80.3	Confident	86 Å²	86	50.4 Å²	50.4	46%	0.46	27%	0.266	S	S	.	.			trans	-91.7	103.9	-176.5	-171.1	-3.4	0	0	0	109.5	T438 A442 R443	T438-N440 PolarHBondContact O-N 2.57Å; N440-A442 PolarHBondContact O-N 2.62Å; N440-A442 WeakPolarHBondContact OD1-CB 3.36Å; N440-A442 PolarHBondContact OD1-N 3.14Å; N440-A442 VanDerWaalsContact OD1-N 3.07Å; N440-R443 WeakPolarHBondContact O-CB 3.47Å; N440-R443 PolarHBondContact O-N 2.99Å; N440-R443 VanDerWaalsContact O-N 3.07Å
441	W	88.2	Confident	80.2	Confident	12 Å²	12	53.2 Å²	53.2	5%	0.045	29%	0.289	C	S	.	.	H	α-helix	trans	-51	-28.3	175	69.7	-85.2	0	0	0	113.3	W36 H439 R443 Y444 Y445 A489 V504 A507 F508 L511 L528	W36-W441 HydrophobicContact CH2-CZ3 4.4Å; H439-W441 PolarHBondContact O-N 2.91Å; W441-R443 PolarHBondContact O-N 3.14Å; W441-Y444 PolarHBondContact O-N 2.97Å; W441-Y444 VanDerWaalsContact O-N 3.12Å; W441-Y445 HydrophobicContact CE3-CG 4.4Å; W441-Y445 HydrophobicContact CZ3-CD1 4.42Å; W441-Y445 HydrophobicContact CZ3-CD2 4.03Å; W441-Y445 AromaticContact CZ3-CG 3.89Å; W441-Y445 HydrophobicContact CZ3-CG 3.89Å; W441-Y445 PolarHBondContact O-N 3.03Å; W441-A489 HydrophobicContact CB-CB 4.25Å; W441-A489 HydrophobicContact CE3-CB 4.06Å; W441-V504 HydrophobicContact CH2-CG1 3.59Å; W441-V504 HydrophobicContact CZ2-CG1 3.71Å; W441-V504 HydrophobicContact CZ3-CG1 4.35Å; W441-A507 HydrophobicContact CH2-CB 3.86Å; W441-A507 HydrophobicContact CZ3-CB 4.11Å; W441-F508 HydrophobicContact CH2-CB 4.35Å; W441-F508 HydrophobicContact CZ2-CB 3.92Å; W441-F508 AromaticContact CZ2-CD2 3.86Å; W441-F508 HydrophobicContact CZ2-CD2 3.86Å; W441-F508 HydrophobicContact CZ2-CG 4.4Å; W441-L511 HydrophobicContact CB-CD2 4.46Å; W441-L511 HydrophobicContact CD2-CD2 3.47Å; W441-L511 VanDerWaalsContact CD2-CD2 3.47Å; W441-L511 HydrophobicContact CE3-CD2 3.37Å; W441-L511 HydrophobicContact CG-CD2 3.96Å; W441-L511 HydrophobicContact CH2-CD2 4.32Å; W441-L511 HydrophobicContact CZ2-CD2 4.43Å; W441-L511 HydrophobicContact CZ3-CD2 3.82Å; W441-L528 HydrophobicContact CB-CD2 4.37Å; W441-L528 VanDerWaalsContact CD1-CD2 3.48Å; W441-L528 HydrophobicContact CD2-CD2 4.4Å; W441-L528 HydrophobicContact CG-CD2 3.82Å
442	A	88.8	Confident	80.2	Confident	10 Å²	10	53 Å²	53	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-30.6	179.4	0	0	0	0	0	113	N440 Y445 N446 V504	N440-A442 PolarHBondContact O-N 2.62Å; N440-A442 WeakPolarHBondContact OD1-CB 3.36Å; N440-A442 PolarHBondContact OD1-N 3.14Å; N440-A442 VanDerWaalsContact OD1-N 3.07Å; A442-Y445 PolarHBondContact O-N 3.32Å; A442-N446 WeakPolarHBondContact O-CB 3.37Å; A442-N446 VanDerWaalsContact O-CG 3.29Å; A442-N446 PolarHBondContact O-N 2.89Å; A442-N446 PolarHBondContact O-ND2 3.06Å; A442-V504 HydrophobicContact CB-CG1 3.61Å; A442-V504 HydrophobicContact CB-CG2 4.1Å
443	R	88.3	Confident	80.3	Confident	136 Å²	136	62.1 Å²	62.1	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175.9	179.2	179.8	172	-174.9	-3.4	111	N440 W441 Y445 N446	N440-R443 WeakPolarHBondContact O-CB 3.47Å; N440-R443 PolarHBondContact O-N 2.99Å; N440-R443 VanDerWaalsContact O-N 3.07Å; W441-R443 PolarHBondContact O-N 3.14Å; R443-Y445 VanDerWaalsContact C-N 3.32Å; R443-N446 PolarHBondContact O-N 2.82Å
444	Y	89.4	Confident	80.8	Confident	8 Å²	8	62.3 Å²	62.3	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-69.4	-34.7	179	-55.1	-52	0	0	0	111.6	P429 W430 Y431 L432 W441 V447 R486	P429-Y444 WeakPolarHBondContact O-CD1 3.45Å; W430-Y444 AromaticContact CD1-CD1 3.78Å; W430-Y444 PolarHBondContact NE1-O 3.18Å; Y431-Y444 PolarHBondContact O-OH 3.49Å; Y431-Y444 VanDerWaalsContact O-OH 3.12Å; L432-Y444 HydrophobicContact CD1-CD1 4.26Å; L432-Y444 HydrophobicContact CD1-CD2 4.37Å; L432-Y444 HydrophobicContact CD1-CE1 3.8Å; L432-Y444 HydrophobicContact CD1-CE2 3.97Å; L432-Y444 HydrophobicContact CG-CE2 4.16Å; W441-Y444 PolarHBondContact O-N 2.97Å; W441-Y444 VanDerWaalsContact O-N 3.12Å; Y444-V447 WeakPolarHBondContact O-CG2 3.43Å; Y444-R486 HydrophobicContact CD2-CB 4.31Å; Y444-R486 HydrophobicContact CE2-CB 4.23Å; Y444-R486 PolarHBondContact OH-NH1 2.96Å
445	Y	91.1	Very high	81.9	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-36.9	177	-169.3	-99.1	0	0	0	113	W36 W441 A442 R443 V447 E492 R493 T501 V504 A507	W36-Y445 HydrophobicContact CH2-CD2 4.04Å; W36-Y445 AromaticContact CH2-CE2 3.68Å; W36-Y445 HydrophobicContact CH2-CE2 3.68Å; W36-Y445 HydrophobicContact CZ2-CD2 4.34Å; W36-Y445 HydrophobicContact CZ2-CE2 4.19Å; W441-Y445 HydrophobicContact CE3-CG 4.4Å; W441-Y445 HydrophobicContact CZ3-CD1 4.42Å; W441-Y445 HydrophobicContact CZ3-CD2 4.03Å; W441-Y445 AromaticContact CZ3-CG 3.89Å; W441-Y445 HydrophobicContact CZ3-CG 3.89Å; W441-Y445 PolarHBondContact O-N 3.03Å; A442-Y445 PolarHBondContact O-N 3.32Å; R443-Y445 VanDerWaalsContact C-N 3.32Å; Y445-V447 VanDerWaalsContact C-N 3.28Å; Y445-V447 PolarHBondContact O-N 3.13Å; Y445-E492 HydrophobicContact CE2-CB 4.2Å; Y445-E492 HydrophobicContact CE2-CG 4.03Å; Y445-E492 WeakPolarHBondContact CE2-OE1 3.47Å; Y445-E492 PolarHBondContact OH-OE1 2.67Å; Y445-R493 VanDerWaalsContact O-CZ 3.25Å; Y445-R493 PolarHBondContact O-NE 2.85Å; Y445-R493 PolarHBondContact O-NH2 2.95Å; Y445-T501 WeakPolarHBondContact CE1-O 3.22Å; Y445-T501 WeakPolarHBondContact OH-CA 3.41Å; Y445-T501 VanDerWaalsContact OH-CB 3.25Å; Y445-T501 WeakPolarHBondContact OH-CB 3.04Å; Y445-T501 PolarHBondContact OH-O 2.68Å; Y445-V504 HydrophobicContact CD1-CG2 4.03Å; Y445-A507 HydrophobicContact CE1-CB 3.96Å; Y445-A507 HydrophobicContact CE2-CB 3.98Å; Y445-A507 WeakPolarHBondContact OH-CB 3.45Å
446	N	90.7	Very high	83.5	Confident	81 Å²	81	62.8 Å²	62.8	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	-176.4	-75.2	-23.9	0	0	0	114.9	A442 R443 W448 V504	A442-N446 WeakPolarHBondContact O-CB 3.37Å; A442-N446 VanDerWaalsContact O-CG 3.29Å; A442-N446 PolarHBondContact O-N 2.89Å; A442-N446 PolarHBondContact O-ND2 3.06Å; R443-N446 PolarHBondContact O-N 2.82Å; N446-W448 VanDerWaalsContact O-CD1 3.3Å; N446-V504 VanDerWaalsContact OD1-CG2 3.28Å; N446-V504 WeakPolarHBondContact OD1-CG2 3.47Å
447	V	90.8	Very high	85.2	Confident	9 Å²	9	69.7 Å²	69.7	6%	0.055	36%	0.355	C	S	.	.			trans	-69.8	132.2	176.7	179.2	0	0	0	0	109.8	L426 P429 W430 Y444 Y445 P449 R493	L426-V447 HydrophobicContact CD2-CG1 4.36Å; P429-V447 HydrophobicContact CB-CG1 4.03Å; P429-V447 HydrophobicContact CB-CG2 3.65Å; P429-V447 HydrophobicContact CG-CB 4.44Å; P429-V447 HydrophobicContact CG-CG1 3.55Å; P429-V447 HydrophobicContact CG-CG2 4.02Å; W430-V447 HydrophobicContact CH2-CG1 4.3Å; W430-V447 HydrophobicContact CZ2-CB 3.94Å; W430-V447 HydrophobicContact CZ2-CG1 3.81Å; Y444-V447 WeakPolarHBondContact O-CG2 3.43Å; Y445-V447 VanDerWaalsContact C-N 3.28Å; Y445-V447 PolarHBondContact O-N 3.13Å; V447-P449 WeakPolarHBondContact O-CD 3.47Å; V447-R493 WeakPolarHBondContact O-CD 3.32Å; V447-R493 WeakPolarHBondContact O-CG 3.45Å; V447-R493 PolarHBondContact O-NE 2.83Å
448	W	91.7	Very high	87.4	Confident	102 Å²	102	65 Å²	65	39%	0.386	32%	0.321	S	S	.	.			trans	-118.5	94.3	175.4	-74.9	33.5	0	0	0	109.6	N446 L450 A451	N446-W448 VanDerWaalsContact O-CD1 3.3Å; W448-L450 PolarHBondContact O-N 3.07Å; W448-L450 VanDerWaalsContact O-N 3.09Å; W448-A451 HydrophobicContact CB-CB 3.7Å; W448-A451 WeakPolarHBondContact O-CB 3.42Å; W448-A451 PolarHBondContact O-N 2.88Å; W448-A451 VanDerWaalsContact O-N 3.09Å
449	P	91.6	Very high	89.5	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.2	-176.8	-30.9	35.7	0	0	0	115.4	F180 L426 W430 V447 E498	F180-P449 HydrophobicContact CE2-CG 4.4Å; F180-P449 HydrophobicContact CZ-CB 4.02Å; F180-P449 HydrophobicContact CZ-CG 4.36Å; L426-P449 HydrophobicContact CD2-CB 3.98Å; L426-P449 HydrophobicContact CD2-CG 4.12Å; W430-P449 HydrophobicContact CH2-CG 3.71Å; W430-P449 HydrophobicContact CZ2-CG 4.39Å; V447-P449 WeakPolarHBondContact O-CD 3.47Å; P449-E498 VanDerWaalsContact CD-OE1 3.24Å; P449-E498 WeakPolarHBondContact CD-OE1 3.32Å
450	L	92.6	Very high	91.1	Very high	34 Å²	34	63.8 Å²	63.8	18%	0.178	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.1	-177.6	-59.2	-179.5	0	0	0	114.3	F180 W448 F452 K459 V462	F180-L450 HydrophobicContact CE1-CD1 4.14Å; F180-L450 HydrophobicContact CE1-CD2 4.08Å; F180-L450 HydrophobicContact CE1-CG 4.09Å; F180-L450 HydrophobicContact CZ-CD1 3.97Å; F180-L450 HydrophobicContact CZ-CD2 4.33Å; F180-L450 HydrophobicContact CZ-CG 3.86Å; W448-L450 PolarHBondContact O-N 3.07Å; W448-L450 VanDerWaalsContact O-N 3.09Å; L450-F452 HydrophobicContact CD2-CE1 4.28Å; L450-F452 PolarHBondContact O-N 3.22Å; L450-K459 HydrophobicContact CD2-CB 4.09Å; L450-K459 HydrophobicContact CD2-CG 4.44Å; L450-V462 HydrophobicContact CD2-CB 3.83Å; L450-V462 HydrophobicContact CD2-CG1 4.17Å; L450-V462 HydrophobicContact CD2-CG2 3.99Å
451	A	92.3	Very high	91.9	Very high	59 Å²	59	61.5 Å²	61.5	49%	0.488	31%	0.308	S	S	.	.			trans	-76.1	41.7	-177.2	0	0	0	0	0	114.1	L411 W448	L411-A451 HydrophobicContact CD1-CB 4.11Å; W448-A451 HydrophobicContact CB-CB 3.7Å; W448-A451 WeakPolarHBondContact O-CB 3.42Å; W448-A451 PolarHBondContact O-N 2.88Å; W448-A451 VanDerWaalsContact O-N 3.09Å
452	F	91.8	Very high	92.2	Very high	21 Å²	21	61.2 Å²	61.2	9%	0.092	31%	0.308	C	S	.	.	S	Bend	trans	-125.5	156	176.4	68.1	-88.3	0	0	0	111.8	L411 V414 R415 V418 L450 G454 K459 V462	L411-F452 HydrophobicContact CB-CB 4.32Å; L411-F452 HydrophobicContact CD2-CD1 4.39Å; V414-F452 HydrophobicContact CG1-CD1 4.06Å; V414-F452 HydrophobicContact CG1-CE1 3.7Å; V414-F452 HydrophobicContact CG1-CZ 4.09Å; R415-F452 HydrophobicContact CB-CD2 3.94Å; R415-F452 HydrophobicContact CB-CG 4.46Å; R415-F452 HydrophobicContact CG-CD2 4.13Å; V418-F452 HydrophobicContact CG2-CE2 3.85Å; V418-F452 HydrophobicContact CG2-CZ 4.16Å; L450-F452 HydrophobicContact CD2-CE1 4.28Å; L450-F452 PolarHBondContact O-N 3.22Å; F452-G454 PolarHBondContact O-N 3.49Å; F452-K459 HydrophobicContact CE1-CG 4.45Å; F452-K459 HydrophobicContact CE2-CG 4.34Å; F452-K459 HydrophobicContact CZ-CG 3.93Å; F452-V462 HydrophobicContact CE1-CG2 3.91Å; F452-V462 HydrophobicContact CZ-CG2 4.02Å
453	K	92.1	Very high	92.5	Very high	192 Å²	192	61.6 Å²	61.6	84%	0.835	31%	0.308	S	S	*	.	S	Bend	trans	-74.2	111.8	175.6	-173	176.6	-178.4	176	0	110.4	R415	R415-K453 WeakPolarHBondContact CD-O 3.28Å
454	G	92.3	Very high	92.9	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	28%	0.284	C	S	.	.			trans	-164.6	165.4	176.7	0	0	0	0	0	111.8	F452 Q458	F452-G454 PolarHBondContact O-N 3.49Å; G454-Q458 VanDerWaalsContact CA-OE1 3.24Å
455	T	94.6	Very high	93.2	Very high	79 Å²	79	54.8 Å²	54.8	49%	0.485	28%	0.282	S	S	.	.			trans	-72.6	161.7	172.4	63.7	0	0	0	0	110.8	K457 Q458 K459	T455-K457 PolarHBondContact O-N 2.77Å; T455-Q458 WeakPolarHBondContact O-CA 3.32Å; T455-Q458 WeakPolarHBondContact O-CB 3.48Å; T455-Q458 PolarHBondContact O-N 3.37Å; T455-Q458 WeakPolarHBondContact OG1-CG 3.33Å; T455-Q458 PolarHBondContact OG1-N 2.86Å; T455-K459 PolarHBondContact O-N 2.94Å
456	E	93.1	Very high	93.5	Very high	135 Å²	135	54.7 Å²	54.7	63%	0.631	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-35.2	176.6	-64.5	-53.8	125.7	0	0	112.1	Q458 K459 S460	E456-Q458 VanDerWaalsContact C-N 3.31Å; E456-Q458 PolarHBondContact O-N 3.2Å; E456-K459 PolarHBondContact O-N 2.91Å; E456-K459 IonicContact OE1-NZ 3.31Å; E456-K459 PolarHBondContact OE1-NZ 3.09Å; E456-S460 PolarHBondContact O-N 3.1Å
457	K	93.6	Very high	93.7	Very high	173 Å²	173	50.9 Å²	50.9	75%	0.752	26%	0.261	S	S	*	.	H	α-helix	trans	-63.4	-33.2	171.7	-174.2	176.6	-178.7	178.1	0	113.3	T455 S460	T455-K457 PolarHBondContact O-N 2.77Å; K457-S460 PolarHBondContact O-OG 3.05Å
458	Q	94	Very high	93.9	Very high	44 Å²	44	50.4 Å²	50.4	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-74.4	-39.6	175	-76.7	170.2	-22	0	0	111	V418 G454 T455 E456 S460 L461	V418-Q458 HydrophobicContact CB-CB 4.26Å; V418-Q458 WeakPolarHBondContact CB-O 3.18Å; V418-Q458 WeakPolarHBondContact CG1-O 3.44Å; V418-Q458 HydrophobicContact CG2-CB 3.89Å; V418-Q458 HydrophobicContact CG2-CG 4.35Å; G454-Q458 VanDerWaalsContact CA-OE1 3.24Å; T455-Q458 WeakPolarHBondContact O-CA 3.32Å; T455-Q458 WeakPolarHBondContact O-CB 3.48Å; T455-Q458 PolarHBondContact O-N 3.37Å; T455-Q458 WeakPolarHBondContact OG1-CG 3.33Å; T455-Q458 PolarHBondContact OG1-N 2.86Å; E456-Q458 VanDerWaalsContact C-N 3.31Å; E456-Q458 PolarHBondContact O-N 3.2Å; Q458-S460 VanDerWaalsContact C-N 3.33Å; Q458-L461 WeakPolarHBondContact O-CB 3.39Å; Q458-L461 PolarHBondContact O-N 2.77Å
459	K	93.6	Very high	94.1	Very high	49 Å²	49	45.7 Å²	45.7	21%	0.213	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-35.7	175.9	-69.1	178.9	-171.5	164.7	0	112.3	L450 F452 T455 E456 L461 V462	L450-K459 HydrophobicContact CD2-CB 4.09Å; L450-K459 HydrophobicContact CD2-CG 4.44Å; F452-K459 HydrophobicContact CE1-CG 4.45Å; F452-K459 HydrophobicContact CE2-CG 4.34Å; F452-K459 HydrophobicContact CZ-CG 3.93Å; T455-K459 PolarHBondContact O-N 2.94Å; E456-K459 PolarHBondContact O-N 2.91Å; E456-K459 IonicContact OE1-NZ 3.31Å; E456-K459 PolarHBondContact OE1-NZ 3.09Å; K459-L461 PolarHBondContact O-N 2.75Å; K459-V462 WeakPolarHBondContact O-CB 3.39Å; K459-V462 PolarHBondContact O-N 3.43Å
460	S	93.6	Very high	94.3	Very high	84 Å²	84	46.3 Å²	46.3	59%	0.587	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.4	175.9	70.3	0	0	0	0	114	E456 K457 Q458 V462	E456-S460 PolarHBondContact O-N 3.1Å; K457-S460 PolarHBondContact O-OG 3.05Å; Q458-S460 VanDerWaalsContact C-N 3.33Å; S460-V462 VanDerWaalsContact C-N 3.3Å
461	L	95.4	Very high	94.4	Very high	37 Å²	37	44.7 Å²	44.7	19%	0.194	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.5	171.3	-67.3	171.3	0	0	0	112.6	V418 R423 V424 Q458 K459 I463	V418-L461 HydrophobicContact CB-CB 4.21Å; V418-L461 HydrophobicContact CB-CD1 4.16Å; V418-L461 HydrophobicContact CG1-CB 3.87Å; V418-L461 WeakPolarHBondContact O-CD1 3.34Å; R423-L461 CarbonylContact C-O 3.42Å; R423-L461 VanDerWaalsContact CA-O 3.28Å; R423-L461 WeakPolarHBondContact CA-O 3.45Å; R423-L461 HydrophobicContact CG-CD2 4.12Å; V424-L461 PolarHBondContact N-O 2.91Å; Q458-L461 WeakPolarHBondContact O-CB 3.39Å; Q458-L461 PolarHBondContact O-N 2.77Å; K459-L461 PolarHBondContact O-N 2.75Å; L461-I463 PolarHBondContact O-N 3.34Å
462	V	95.9	Very high	94.5	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	101.2	168.2	-175.8	0	0	0	0	107.4	F180 V414 V418 L450 F452 K459 S460 G464	F180-V462 HydrophobicContact CE1-CG1 4.14Å; V414-V462 HydrophobicContact CG1-CG2 3.8Å; V418-V462 HydrophobicContact CG1-CG2 4.09Å; L450-V462 HydrophobicContact CD2-CB 3.83Å; L450-V462 HydrophobicContact CD2-CG1 4.17Å; L450-V462 HydrophobicContact CD2-CG2 3.99Å; F452-V462 HydrophobicContact CE1-CG2 3.91Å; F452-V462 HydrophobicContact CZ-CG2 4.02Å; K459-V462 WeakPolarHBondContact O-CB 3.39Å; K459-V462 PolarHBondContact O-N 3.43Å; S460-V462 VanDerWaalsContact C-N 3.3Å; V462-G464 VanDerWaalsContact C-N 3.33Å
463	I	94.8	Very high	94.5	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-13.2	-173.5	56.9	167.8	0	0	0	112.7	N181 Y182 V401 R423 V424 I425 L461	N181-I463 PolarHBondContact N-O 2.9Å; Y182-I463 WeakPolarHBondContact CB-O 3.36Å; Y182-I463 HydrophobicContact CD2-CD1 4.49Å; Y182-I463 PolarHBondContact N-O 2.79Å; V401-I463 HydrophobicContact CG1-CD1 4.02Å; R423-I463 HydrophobicContact CB-CD1 4.47Å; R423-I463 HydrophobicContact CB-CG2 4.17Å; R423-I463 HydrophobicContact CG-CG2 4.19Å; V424-I463 VanDerWaalsContact O-CG1 3.29Å; V424-I463 WeakPolarHBondContact O-CG1 3.45Å; V424-I463 PolarHBondContact O-N 3.2Å; I425-I463 HydrophobicContact CD1-CD1 4.17Å; I425-I463 HydrophobicContact CG1-CD1 3.76Å; I425-I463 HydrophobicContact CG1-CG1 3.84Å; L461-I463 PolarHBondContact O-N 3.34Å
464	G	95.5	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-141.9	173.7	0	0	0	0	0	112.4	Y182 L426 V462	Y182-G464 VanDerWaalsContact O-CA 3.28Å; Y182-G464 WeakPolarHBondContact O-CA 3.41Å; L426-G464 PolarHBondContact N-O 3.37Å; L426-G464 VanDerWaalsContact N-O 3.08Å; V462-G464 VanDerWaalsContact C-N 3.33Å
465	G	96.3	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	175.3	-173.4	0	0	0	0	0	114.7	Y182 G184 L426 L494	Y182-G465 PolarHBondContact O-N 2.68Å; G184-G465 PolarHBondContact N-O 3.22Å; L426-G465 CarbonylContact O-C 3.11Å; L426-G465 WeakPolarHBondContact O-CA 3.4Å; G465-L494 WeakPolarHBondContact O-CD1 3.49Å
466	E	96.6	Very high	94.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.1	-169	-172	153.2	132.2	0	0	112.1	Y182 G184 L186 H215 I425 L426 A427 W430	Y182-E466 HydrophobicContact CE1-CB 4.27Å; Y182-E466 VanDerWaalsContact CE1-OE2 3.31Å; Y182-E466 WeakPolarHBondContact CE1-OE2 3.41Å; Y182-E466 PolarHBondContact OH-OE2 2.66Å; G184-E466 WeakPolarHBondContact O-CA 3.29Å; L186-E466 HydrophobicContact CB-CG 4.48Å; L186-E466 VanDerWaalsContact CB-OE1 3.24Å; L186-E466 WeakPolarHBondContact CB-OE1 3.37Å; H215-E466 WeakPolarHBondContact CB-OE1 3.3Å; H215-E466 WeakPolarHBondContact CB-OE2 3.22Å; H215-E466 IonicContact CE1-OE1 3.62Å; H215-E466 IonicContact CG-OE1 3.67Å; H215-E466 IonicContact CG-OE2 2.88Å; H215-E466 IonicContact ND1-OE1 2.83Å; H215-E466 PolarHBondContact ND1-OE1 3.4Å; H215-E466 IonicContact ND1-OE2 2.71Å; I425-E466 HydrophobicContact CG2-CB 4.16Å; L426-E466 PolarHBondContact O-N 3.12Å; A427-E466 HydrophobicContact CB-CB 4.36Å; W430-E466 WeakPolarHBondContact CB-O 3.44Å
467	V	96.1	Very high	94.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.7	171.4	-177.5	0	0	0	0	108.5	G184 I185 L186 F211 W430 L432 L483 A487 A490	G184-V467 PolarHBondContact O-N 3.48Å; I185-V467 CarbonylContact C-O 3.58Å; I185-V467 WeakPolarHBondContact CA-O 3.23Å; I185-V467 HydrophobicContact CG1-CB 4.42Å; L186-V467 PolarHBondContact N-O 3.15Å; F211-V467 HydrophobicContact CE1-CG2 4.07Å; F211-V467 HydrophobicContact CZ-CG2 3.85Å; W430-V467 HydrophobicContact CB-CG2 4.35Å; L432-V467 HydrophobicContact CD1-CG1 3.55Å; L432-V467 HydrophobicContact CD2-CG1 3.58Å; L432-V467 HydrophobicContact CG-CG1 4.09Å; V467-L483 HydrophobicContact CG1-CD1 4.36Å; V467-A487 HydrophobicContact CG1-CB 4.09Å; V467-A487 HydrophobicContact CG2-CB 4.5Å; V467-A490 HydrophobicContact CG2-CB 3.4Å; V467-A490 VanDerWaalsContact CG2-CB 3.4Å
468	C	95.6	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.6	-179.6	-68.8	0	0	0	0	111.5	L186 W430 Y431 L432	L186-C468 HydrophobicContact CB-CB 4.39Å; W430-C468 PolarHBondContact O-N 3.42Å; Y431-C468 HydrophobicContact CD2-CB 3.9Å; Y431-C468 HydrophobicContact CE2-CB 3.88Å; Y431-C468 HydrophobicContact CG-CB 4.24Å; L432-C468 PolarHBondContact N-O 2.99Å
469	L	95.3	Very high	94.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	85.9	169.4	-170.9	64.5	0	0	0	109.6	L186 L187 L432 D433 V474 L479 R482 L483	L186-L469 PolarHBondContact O-N 3.13Å; L187-L469 HydrophobicContact CD2-CB 4.45Å; L187-L469 HydrophobicContact CD2-CD2 4.4Å; L432-L469 HydrophobicContact CB-CD1 3.9Å; D433-L469 HydrophobicContact CB-CD1 4.34Å; L469-V474 HydrophobicContact CD1-CG2 4.02Å; L469-V474 HydrophobicContact CD2-CG1 4.08Å; L469-V474 HydrophobicContact CG-CG1 4.25Å; L469-V474 HydrophobicContact CG-CG2 4.31Å; L469-L479 HydrophobicContact CD2-CD1 3.63Å; L469-R482 HydrophobicContact CD1-CG 4.03Å; L469-L483 HydrophobicContact CB-CD1 4.42Å; L469-L483 HydrophobicContact CD2-CB 3.91Å; L469-L483 HydrophobicContact CD2-CD1 4Å; L469-L483 HydrophobicContact CD2-CG 4.38Å
470	W	95.8	Very high	94.8	Very high	13 Å²	13	32.7 Å²	32.7	5%	0.049	18%	0.181	C	C	.	.			trans	-66.9	151.7	174.4	-61.5	102.4	0	0	0	112.2	L186 D188 H217 W386 Y431 D433 E472 V474	L186-W470 HydrophobicContact CD1-CH2 4.09Å; L186-W470 HydrophobicContact CD1-CZ2 3.98Å; L186-W470 HydrophobicContact CD2-CD2 4.22Å; L186-W470 HydrophobicContact CD2-CE3 4.1Å; L186-W470 HydrophobicContact CD2-CH2 4.39Å; L186-W470 HydrophobicContact CD2-CZ2 4.47Å; L186-W470 HydrophobicContact CD2-CZ3 4.2Å; D188-W470 HydrophobicContact CB-CE3 4.19Å; H217-W470 AromaticContact CE1-CZ3 3.74Å; H217-W470 AromaticContact CG-CZ3 3.93Å; H217-W470 AromaticContact ND1-CH2 3.98Å; H217-W470 AromaticContact ND1-CZ3 3.69Å; H217-W470 AromaticContact NE2-CZ3 4Å; W386-W470 HydrophobicContact CH2-CZ2 4.22Å; W386-W470 HydrophobicContact CZ2-CH2 4.02Å; W386-W470 AromaticContact CZ2-CZ2 3.92Å; W386-W470 HydrophobicContact CZ2-CZ2 3.92Å; Y431-W470 AromaticContact CD1-CD1 3.73Å; Y431-W470 AromaticContact CD1-NE1 3.8Å; Y431-W470 AromaticContact CE1-CD1 3.44Å; Y431-W470 VanDerWaalsContact CE1-CD1 3.44Å; Y431-W470 AromaticContact CE1-NE1 3.07Å; Y431-W470 AromaticContact CZ-NE1 3.36Å; Y431-W470 PolarHBondContact OH-NE1 3.06Å; D433-W470 HydrophobicContact CB-CB 3.99Å; W470-E472 WeakPolarHBondContact CB-OE2 3.27Å; W470-V474 WeakPolarHBondContact O-CG2 3.49Å
471	G	94.7	Very high	94.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	-95.1	-0.4	-161.9	0	0	0	0	0	114.8	D188 R191 H192 Y473 V474	D188-G471 WeakPolarHBondContact OD2-CA 3.3Å; D188-G471 PolarHBondContact OD2-N 2.65Å; R191-G471 VanDerWaalsContact CB-C 3.47Å; H192-G471 PolarHBondContact CE1-O 2.86Å; H192-G471 PolarHBondContact ND1-O 3.33Å; G471-Y473 PolarHBondContact O-N 3.45Å; G471-V474 PolarHBondContact O-N 3Å
472	E	93.3	Very high	94.7	Very high	79 Å²	79	31 Å²	31	37%	0.369	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.9	-173.8	-66.2	82.2	176.3	0	0	112.8	R191 H192 W470	R191-E472 HydrophobicContact CG-CG 4.19Å; R191-E472 IonicContact CZ-OE1 2.76Å; R191-E472 IonicContact NH1-OE1 3.73Å; R191-E472 PolarHBondContact NH1-OE1 3.2Å; R191-E472 IonicContact NH1-OE2 3.13Å; R191-E472 IonicContact NH2-OE1 3.82Å; H192-E472 PolarHBondContact CE1-O 3.47Å; W470-E472 WeakPolarHBondContact CB-OE2 3.27Å
473	Y	92.8	Very high	94.6	Very high	157 Å²	157	30.7 Å²	30.7	62%	0.616	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.6	17.4	-179.8	-53.1	-73.8	0	0	0	112.8	G471 N478 R482	G471-Y473 PolarHBondContact O-N 3.45Å; Y473-N478 PolarHBondContact O-ND2 2.93Å; Y473-R482 PolarHBondContact O-NH1 3.3Å
474	V	94.1	Very high	94.6	Very high	5 Å²	5	30 Å²	30	3%	0.03	16%	0.157	C	C	.	.			trans	-130.4	124.7	-172.5	-173.4	0	0	0	0	110.7	L469 W470 G471 N478 L479 R482	L469-V474 HydrophobicContact CD1-CG2 4.02Å; L469-V474 HydrophobicContact CD2-CG1 4.08Å; L469-V474 HydrophobicContact CG-CG1 4.25Å; L469-V474 HydrophobicContact CG-CG2 4.31Å; W470-V474 WeakPolarHBondContact O-CG2 3.49Å; G471-V474 PolarHBondContact O-N 3Å; V474-N478 VanDerWaalsContact CA-OD1 3.31Å; V474-N478 WeakPolarHBondContact CA-OD1 3.31Å; V474-N478 WeakPolarHBondContact CG1-OD1 3.34Å; V474-L479 HydrophobicContact CG1-CB 4.21Å; V474-L479 HydrophobicContact CG1-CD1 3.93Å; V474-R482 VanDerWaalsContact CG2-CD 3.5Å
475	D	94.8	Very high	94.5	Very high	49 Å²	49	30 Å²	30	26%	0.262	16%	0.157	S	C	.	.			trans	-138.1	-169.7	171.1	77.8	-8.2	0	0	0	109.9	H192 T477 N478 L479	H192-D475 HydrophobicContact CB-CB 3.86Å; D475-T477 PolarHBondContact O-N 3.27Å; D475-T477 VanDerWaalsContact OD1-CB 3.26Å; D475-T477 WeakPolarHBondContact OD1-CB 3.44Å; D475-T477 WeakPolarHBondContact OD1-CG2 3.43Å; D475-T477 PolarHBondContact OD1-N 2.86Å; D475-T477 PolarHBondContact OD1-OG1 3.41Å; D475-N478 PolarHBondContact N-OD1 3.48Å; D475-N478 VanDerWaalsContact N-OD1 3.12Å; D475-N478 PolarHBondContact O-N 2.91Å; D475-N478 PolarHBondContact O-OD1 3.44Å; D475-L479 WeakPolarHBondContact O-CB 3.38Å; D475-L479 PolarHBondContact O-N 2.92Å
476	A	94.4	Very high	94.4	Very high	50 Å²	50	30.1 Å²	30.1	41%	0.413	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.8	-179.6	0	0	0	0	0	114.6	P195	P195-A476 HydrophobicContact CG-CB 4.22Å
477	T	94.6	Very high	94.3	Very high	109 Å²	109	30.1 Å²	30.1	67%	0.669	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-30.5	-175.4	70.4	0	0	0	0	112.9	D475	D475-T477 PolarHBondContact O-N 3.27Å; D475-T477 VanDerWaalsContact OD1-CB 3.26Å; D475-T477 WeakPolarHBondContact OD1-CB 3.44Å; D475-T477 WeakPolarHBondContact OD1-CG2 3.43Å; D475-T477 PolarHBondContact OD1-N 2.86Å; D475-T477 PolarHBondContact OD1-OG1 3.41Å
478	N	93.7	Very high	94.3	Very high	39 Å²	39	30.1 Å²	30.1	21%	0.209	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-3.1	-174.5	70.2	2.9	0	0	0	113.8	Y473 V474 D475 S480 P481 R482	Y473-N478 PolarHBondContact O-ND2 2.93Å; V474-N478 VanDerWaalsContact CA-OD1 3.31Å; V474-N478 WeakPolarHBondContact CA-OD1 3.31Å; V474-N478 WeakPolarHBondContact CG1-OD1 3.34Å; D475-N478 PolarHBondContact N-OD1 3.48Å; D475-N478 VanDerWaalsContact N-OD1 3.12Å; D475-N478 PolarHBondContact O-N 2.91Å; D475-N478 PolarHBondContact O-OD1 3.44Å; N478-S480 PolarHBondContact O-N 2.86Å; N478-P481 WeakPolarHBondContact O-CD 3.37Å; N478-P481 WeakPolarHBondContact O-CG 3.15Å; N478-R482 WeakPolarHBondContact O-CB 3.26Å; N478-R482 PolarHBondContact O-N 2.84Å
479	L	94.6	Very high	94.2	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-50.7	-57.9	-179.9	176.1	69.7	0	0	0	113.1	L187 L194 A198 L469 V474 D475 R482 L483	L187-L479 HydrophobicContact CD2-CD1 3.78Å; L194-L479 HydrophobicContact CD1-CD1 4.31Å; L194-L479 HydrophobicContact CD1-CD2 4.01Å; L194-L479 HydrophobicContact CD2-CD2 4.38Å; A198-L479 HydrophobicContact CB-CD2 4.2Å; L469-L479 HydrophobicContact CD2-CD1 3.63Å; V474-L479 HydrophobicContact CG1-CB 4.21Å; V474-L479 HydrophobicContact CG1-CD1 3.93Å; D475-L479 WeakPolarHBondContact O-CB 3.38Å; D475-L479 PolarHBondContact O-N 2.92Å; L479-R482 PolarHBondContact O-N 2.86Å; L479-L483 VanDerWaalsContact O-CB 3.27Å; L479-L483 WeakPolarHBondContact O-CB 3.49Å; L479-L483 PolarHBondContact O-N 3.37Å
480	S	94.2	Very high	94.1	Very high	28 Å²	28	30 Å²	30	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-53.4	-174.7	-178.3	0	0	0	0	113.2	N478 R482 L483 W484 Q524	N478-S480 PolarHBondContact O-N 2.86Å; S480-R482 VanDerWaalsContact C-N 3.26Å; S480-R482 PolarHBondContact O-N 3.17Å; S480-L483 PolarHBondContact O-N 3.07Å; S480-W484 PolarHBondContact O-N 3.06Å; S480-Q524 CarbonylContact C-O 3.53Å; S480-Q524 PolarHBondContact OG-N 3.07Å; S480-Q524 PolarHBondContact OG-O 3.04Å
481	P	93.2	Very high	94	Very high	32 Å²	32	29.5 Å²	29.5	21%	0.208	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-31.8	-179.3	24.2	-34	0	0	0	111.9	N478 W484 Q524 E526	N478-P481 WeakPolarHBondContact O-CD 3.37Å; N478-P481 WeakPolarHBondContact O-CG 3.15Å; P481-W484 VanDerWaalsContact O-O 3.11Å; P481-Q524 VanDerWaalsContact CA-O 3.24Å; P481-Q524 WeakPolarHBondContact CA-O 3.28Å; P481-E526 HydrophobicContact CB-CB 4.3Å; P481-E526 WeakPolarHBondContact O-CB 3.4Å; P481-E526 VanDerWaalsContact O-CG 3.22Å; P481-E526 WeakPolarHBondContact O-CG 3.23Å
482	R	92.3	Very high	94	Very high	55 Å²	55	29.4 Å²	29.4	21%	0.208	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-43.7	175.4	-169.5	173	-74	-158.5	4.6	111.2	L469 Y473 V474 N478 L479 S480 R486	L469-R482 HydrophobicContact CD1-CG 4.03Å; Y473-R482 PolarHBondContact O-NH1 3.3Å; V474-R482 VanDerWaalsContact CG2-CD 3.5Å; N478-R482 WeakPolarHBondContact O-CB 3.26Å; N478-R482 PolarHBondContact O-N 2.84Å; L479-R482 PolarHBondContact O-N 2.86Å; S480-R482 VanDerWaalsContact C-N 3.26Å; S480-R482 PolarHBondContact O-N 3.17Å; R482-R486 PolarHBondContact O-NE 2.88Å; R482-R486 PolarHBondContact O-NH2 3.24Å
483	L	94.3	Very high	94	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-74.8	-41.6	-175.9	-172.3	59.6	0	0	0	112.5	I185 L187 T202 L432 V467 L469 L479 S480 R486 A487	I185-L483 HydrophobicContact CD1-CD1 4.5Å; I185-L483 HydrophobicContact CD1-CD2 4.32Å; I185-L483 HydrophobicContact CG2-CD1 4.14Å; I185-L483 HydrophobicContact CG2-CD2 4.21Å; L187-L483 HydrophobicContact CD2-CD2 4.39Å; T202-L483 HydrophobicContact CG2-CD2 3.66Å; L432-L483 HydrophobicContact CD2-CD1 4.07Å; V467-L483 HydrophobicContact CG1-CD1 4.36Å; L469-L483 HydrophobicContact CB-CD1 4.42Å; L469-L483 HydrophobicContact CD2-CB 3.91Å; L469-L483 HydrophobicContact CD2-CD1 4Å; L469-L483 HydrophobicContact CD2-CG 4.38Å; L479-L483 VanDerWaalsContact O-CB 3.27Å; L479-L483 WeakPolarHBondContact O-CB 3.49Å; L479-L483 PolarHBondContact O-N 3.37Å; S480-L483 PolarHBondContact O-N 3.07Å; L483-R486 PolarHBondContact O-N 3.39Å; L483-A487 HydrophobicContact CD1-CB 3.74Å; L483-A487 HydrophobicContact CG-CB 4.07Å; L483-A487 VanDerWaalsContact O-CB 3.31Å; L483-A487 WeakPolarHBondContact O-CB 3.4Å; L483-A487 PolarHBondContact O-N 3.14Å
484	W	95.1	Very high	94.1	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.008	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	134.8	-170.8	-57.5	106.1	0	0	0	111.7	I185 A205 M206 S209 F211 S480 P481 A487 S488 L518 I523 A525 E526	I185-W484 HydrophobicContact CD1-CH2 3.69Å; I185-W484 HydrophobicContact CD1-CZ2 3.75Å; A205-W484 HydrophobicContact CB-CD2 3.92Å; A205-W484 HydrophobicContact CB-CG 4.36Å; A205-W484 HydrophobicContact CB-CH2 4.2Å; A205-W484 HydrophobicContact CB-CZ2 3.43Å; A205-W484 VanDerWaalsContact CB-CZ2 3.43Å; M206-W484 HydrophobicContact CG-CH2 4.39Å; M206-W484 HydrophobicContact CG-CZ2 4.14Å; S209-W484 WeakPolarHBondContact OG-CZ3 3.44Å; F211-W484 AromaticContact CD2-CH2 3.94Å; F211-W484 HydrophobicContact CD2-CH2 3.94Å; F211-W484 HydrophobicContact CD2-CZ3 4.49Å; F211-W484 AromaticContact CE2-CH2 3.91Å; F211-W484 HydrophobicContact CE2-CH2 3.91Å; F211-W484 HydrophobicContact CE2-CZ3 4.13Å; S480-W484 PolarHBondContact O-N 3.06Å; P481-W484 VanDerWaalsContact O-O 3.11Å; W484-A487 HydrophobicContact CE3-CB 3.99Å; W484-A487 HydrophobicContact CH2-CB 4.14Å; W484-A487 HydrophobicContact CZ3-CB 3.76Å; W484-S488 VanDerWaalsContact CE3-OG 3.32Å; W484-L518 HydrophobicContact CB-CD1 4.45Å; W484-I523 HydrophobicContact CB-CG2 4.37Å; W484-I523 HydrophobicContact CG-CG2 4.17Å; W484-A525 HydrophobicContact CB-CB 3.91Å; W484-A525 CarbonylContact O-C 3.19Å; W484-A525 VanDerWaalsContact O-CA 3.26Å; W484-A525 WeakPolarHBondContact O-CA 3.35Å; W484-E526 PolarHBondContact O-N 3.45Å
485	P	93.9	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	12.7	8.7	38.3	-38.5	0	0	0	114.3	A487 S488 L511 R515 E526 L528	P485-A487 VanDerWaalsContact C-N 3.34Å; P485-A487 PolarHBondContact O-N 2.93Å; P485-S488 WeakPolarHBondContact O-CA 3.31Å; P485-S488 WeakPolarHBondContact O-CB 3.18Å; P485-S488 PolarHBondContact O-N 3.11Å; P485-S488 PolarHBondContact O-OG 3.37Å; P485-L511 HydrophobicContact CB-CD1 4.11Å; P485-R515 HydrophobicContact CB-CB 4.41Å; P485-R515 HydrophobicContact CG-CB 4.36Å; P485-R515 HydrophobicContact CG-CG 4.21Å; P485-E526 WeakPolarHBondContact CD-O 3.3Å; P485-L528 HydrophobicContact CG-CD2 3.45Å; P485-L528 VanDerWaalsContact CG-CD2 3.45Å; P485-L528 HydrophobicContact CG-CG 4.02Å
486	R	93.1	Very high	93.9	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-40.7	-177	-63.7	-171.5	-61.3	143.1	0.8	112.8	L432 Y444 R482 L483 S488 A489 E526	L432-R486 HydrophobicContact CD2-CB 3.8Å; L432-R486 HydrophobicContact CG-CB 4.36Å; L432-R486 PolarHBondContact O-NH1 3.28Å; L432-R486 PolarHBondContact O-NH2 2.92Å; Y444-R486 HydrophobicContact CD2-CB 4.31Å; Y444-R486 HydrophobicContact CE2-CB 4.23Å; Y444-R486 PolarHBondContact OH-NH1 2.96Å; R482-R486 PolarHBondContact O-NE 2.88Å; R482-R486 PolarHBondContact O-NH2 3.24Å; L483-R486 PolarHBondContact O-N 3.39Å; R486-S488 PolarHBondContact O-N 3.32Å; R486-A489 VanDerWaalsContact O-CB 3.22Å; R486-A489 WeakPolarHBondContact O-CB 3.48Å; R486-A489 PolarHBondContact O-N 2.71Å; R486-A489 VanDerWaalsContact O-N 3.14Å; R486-E526 WeakPolarHBondContact CD-OE1 3.46Å; R486-E526 WeakPolarHBondContact CG-OE1 3.09Å; R486-E526 IonicContact NE-OE1 3.1Å; R486-E526 PolarHBondContact NE-OE1 3.47Å
487	A	95	Very high	93.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-31.6	174.1	0	0	0	0	0	112.4	I185 F211 L432 V467 L483 W484 P485 A489 A490 A491	I185-A487 HydrophobicContact CD1-CB 4.26Å; F211-A487 HydrophobicContact CE2-CB 4.26Å; F211-A487 HydrophobicContact CZ-CB 4.42Å; F211-A487 WeakPolarHBondContact CZ-O 3.42Å; L432-A487 HydrophobicContact CD2-CB 4.31Å; V467-A487 HydrophobicContact CG1-CB 4.09Å; V467-A487 HydrophobicContact CG2-CB 4.5Å; L483-A487 HydrophobicContact CD1-CB 3.74Å; L483-A487 HydrophobicContact CG-CB 4.07Å; L483-A487 VanDerWaalsContact O-CB 3.31Å; L483-A487 WeakPolarHBondContact O-CB 3.4Å; L483-A487 PolarHBondContact O-N 3.14Å; W484-A487 HydrophobicContact CE3-CB 3.99Å; W484-A487 HydrophobicContact CH2-CB 4.14Å; W484-A487 HydrophobicContact CZ3-CB 3.76Å; P485-A487 VanDerWaalsContact C-N 3.34Å; P485-A487 PolarHBondContact O-N 2.93Å; A487-A489 PolarHBondContact O-N 2.88Å; A487-A490 PolarHBondContact O-N 3.19Å; A487-A490 VanDerWaalsContact O-N 3.15Å; A487-A491 PolarHBondContact O-N 2.9Å
488	S	94.9	Very high	93.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-29.9	175.9	-44.7	0	0	0	0	112.2	W36 S209 W484 P485 R486 A491 E492	W36-S488 WeakPolarHBondContact CZ2-O 3.46Å; W36-S488 PolarHBondContact NE1-O 2.94Å; S209-S488 PolarHBondContact OG-OG 3.39Å; W484-S488 VanDerWaalsContact CE3-OG 3.32Å; P485-S488 WeakPolarHBondContact O-CA 3.31Å; P485-S488 WeakPolarHBondContact O-CB 3.18Å; P485-S488 PolarHBondContact O-N 3.11Å; P485-S488 PolarHBondContact O-OG 3.37Å; R486-S488 PolarHBondContact O-N 3.32Å; S488-A491 WeakPolarHBondContact O-CB 3.03Å; S488-A491 PolarHBondContact O-N 3.12Å; S488-E492 PolarHBondContact O-N 2.72Å; S488-E492 VanDerWaalsContact O-N 3.11Å
489	A	93.8	Very high	92.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-46.6	174.4	0	0	0	0	0	112.3	W441 R486 A487 A491 R493	W441-A489 HydrophobicContact CB-CB 4.25Å; W441-A489 HydrophobicContact CE3-CB 4.06Å; R486-A489 VanDerWaalsContact O-CB 3.22Å; R486-A489 WeakPolarHBondContact O-CB 3.48Å; R486-A489 PolarHBondContact O-N 2.71Å; R486-A489 VanDerWaalsContact O-N 3.14Å; A487-A489 PolarHBondContact O-N 2.88Å; A489-A491 VanDerWaalsContact C-N 3.32Å; A489-R493 PolarHBondContact O-N 3.32Å
490	A	93.4	Very high	92.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-34.6	174.6	0	0	0	0	0	111.6	W430 V467 A487 E492 R493 L494	W430-A490 HydrophobicContact CD2-CB 4.12Å; W430-A490 HydrophobicContact CG-CB 4.05Å; W430-A490 HydrophobicContact CZ2-CB 4.44Å; V467-A490 HydrophobicContact CG2-CB 3.4Å; V467-A490 VanDerWaalsContact CG2-CB 3.4Å; A487-A490 PolarHBondContact O-N 3.19Å; A487-A490 VanDerWaalsContact O-N 3.15Å; A490-E492 VanDerWaalsContact C-N 3.33Å; A490-E492 PolarHBondContact O-N 3.07Å; A490-R493 PolarHBondContact O-N 2.9Å; A490-R493 VanDerWaalsContact O-N 3.16Å; A490-L494 WeakPolarHBondContact O-CG 3.45Å; A490-L494 PolarHBondContact O-N 3.23Å
491	A	93.9	Very high	91.6	Very high	1 Å²	1	23 Å²	23	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-43.5	177.3	0	0	0	0	0	112.3	P37 S209 F211 A487 S488 A489 L494 W495	P37-A491 HydrophobicContact CG-CB 4.44Å; S209-A491 VanDerWaalsContact O-CB 3.26Å; S209-A491 WeakPolarHBondContact O-CB 3.4Å; F211-A491 HydrophobicContact CD2-CB 4.01Å; F211-A491 HydrophobicContact CE1-CB 4.35Å; F211-A491 HydrophobicContact CE2-CB 3.38Å; F211-A491 HydrophobicContact CZ-CB 3.57Å; A487-A491 PolarHBondContact O-N 2.9Å; S488-A491 WeakPolarHBondContact O-CB 3.03Å; S488-A491 PolarHBondContact O-N 3.12Å; A489-A491 VanDerWaalsContact C-N 3.32Å; A491-L494 PolarHBondContact O-N 3.06Å; A491-W495 VanDerWaalsContact O-CB 3.28Å; A491-W495 WeakPolarHBondContact O-CB 3.34Å; A491-W495 PolarHBondContact O-N 3.41Å
492	E	94.4	Very high	91.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.3	-38.2	176	-177.2	159.4	106.3	0	0	112.2	W36 P37 L38 Y445 S488 A490 L494 W495 S496 T501 R510	W36-E492 HydrophobicContact CH2-CB 4.27Å; W36-E492 HydrophobicContact CZ2-CB 3.56Å; W36-E492 HydrophobicContact CZ2-CG 4.29Å; P37-E492 VanDerWaalsContact CA-OE2 3.32Å; P37-E492 WeakPolarHBondContact CA-OE2 3.35Å; P37-E492 HydrophobicContact CB-CB 4.08Å; P37-E492 HydrophobicContact CB-CG 4.17Å; P37-E492 HydrophobicContact CG-CB 4.37Å; L38-E492 PolarHBondContact N-OE2 3.47Å; Y445-E492 HydrophobicContact CE2-CB 4.2Å; Y445-E492 HydrophobicContact CE2-CG 4.03Å; Y445-E492 WeakPolarHBondContact CE2-OE1 3.47Å; Y445-E492 PolarHBondContact OH-OE1 2.67Å; S488-E492 PolarHBondContact O-N 2.72Å; S488-E492 VanDerWaalsContact O-N 3.11Å; A490-E492 VanDerWaalsContact C-N 3.33Å; A490-E492 PolarHBondContact O-N 3.07Å; E492-L494 VanDerWaalsContact C-N 3.28Å; E492-L494 PolarHBondContact O-N 3.03Å; E492-W495 PolarHBondContact O-N 3.26Å; E492-S496 WeakPolarHBondContact CG-OG 3.09Å; E492-S496 WeakPolarHBondContact O-CB 3.12Å; E492-S496 PolarHBondContact O-N 3.33Å; E492-S496 PolarHBondContact O-OG 3.35Å; E492-T501 HydrophobicContact CG-CG2 4.08Å; E492-R510 IonicContact OE1-CZ 2.74Å; E492-R510 IonicContact OE1-NH1 3.35Å; E492-R510 PolarHBondContact OE1-NH1 3.47Å; E492-R510 IonicContact OE1-NH2 2.76Å; E492-R510 PolarHBondContact OE1-NH2 2.93Å; E492-R510 IonicContact OE2-CZ 2.89Å; E492-R510 IonicContact OE2-NH1 3.72Å; E492-R510 PolarHBondContact OE2-NH1 3.27Å; E492-R510 IonicContact OE2-NH2 3.32Å
493	R	94.4	Very high	90.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-35.4	175.4	-176.4	54.8	60.7	-163.5	-8.4	112.8	W430 Y445 V447 A489 A490 E498 T501	W430-R493 HydrophobicContact CZ2-CB 4.33Å; W430-R493 HydrophobicContact CZ2-CG 4.01Å; Y445-R493 VanDerWaalsContact O-CZ 3.25Å; Y445-R493 PolarHBondContact O-NE 2.85Å; Y445-R493 PolarHBondContact O-NH2 2.95Å; V447-R493 WeakPolarHBondContact O-CD 3.32Å; V447-R493 WeakPolarHBondContact O-CG 3.45Å; V447-R493 PolarHBondContact O-NE 2.83Å; A489-R493 PolarHBondContact O-N 3.32Å; A490-R493 PolarHBondContact O-N 2.9Å; A490-R493 VanDerWaalsContact O-N 3.16Å; R493-E498 VanDerWaalsContact NH1-CB 3.3Å; R493-E498 PolarHBondContact NH1-O 3.3Å; R493-E498 VanDerWaalsContact NH1-O 3.11Å; R493-T501 PolarHBondContact NH2-O 3.13Å
494	L	94.3	Very high	90.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-84.4	-16.4	-179.1	-67	172.4	0	0	0	113.5	F180 R183 F211 W430 G465 A490 A491 E492	F180-L494 HydrophobicContact CD2-CD2 3.99Å; F180-L494 HydrophobicContact CE2-CD2 4.49Å; F180-L494 HydrophobicContact CG-CD2 4.46Å; F180-L494 PolarHBondContact N-O 2.87Å; R183-L494 HydrophobicContact CB-CB 4.47Å; R183-L494 HydrophobicContact CB-CD1 4.27Å; R183-L494 HydrophobicContact CG-CB 3.8Å; R183-L494 HydrophobicContact CG-CD1 4.35Å; F211-L494 HydrophobicContact CE1-CD1 4.4Å; W430-L494 HydrophobicContact CH2-CD1 4.45Å; W430-L494 HydrophobicContact CH2-CD2 3.63Å; W430-L494 HydrophobicContact CH2-CG 4.02Å; W430-L494 HydrophobicContact CZ3-CD1 4.46Å; W430-L494 HydrophobicContact CZ3-CD2 4.02Å; W430-L494 HydrophobicContact CZ3-CG 4.47Å; G465-L494 WeakPolarHBondContact O-CD1 3.49Å; A490-L494 WeakPolarHBondContact O-CG 3.45Å; A490-L494 PolarHBondContact O-N 3.23Å; A491-L494 PolarHBondContact O-N 3.06Å; E492-L494 VanDerWaalsContact C-N 3.28Å; E492-L494 PolarHBondContact O-N 3.03Å
495	W	93.6	Very high	90.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-101.8	-52.4	-179.3	-176.5	-81.5	0	0	0	112.9	P37 Q40 Y126 T150 D176 P178 Q179 K210 A491 E492	P37-W495 HydrophobicContact CB-CB 3.87Å; P37-W495 HydrophobicContact CB-CG 3.91Å; P37-W495 HydrophobicContact CG-CB 4.05Å; P37-W495 HydrophobicContact CG-CG 4.27Å; Q40-W495 PolarHBondContact NE2-O 3.23Å; Y126-W495 HydrophobicContact CE1-CH2 4.49Å; Y126-W495 HydrophobicContact CE1-CZ2 4.03Å; T150-W495 HydrophobicContact CG2-CH2 3.9Å; T150-W495 HydrophobicContact CG2-CZ2 4.48Å; T150-W495 HydrophobicContact CG2-CZ3 4.12Å; D176-W495 VanDerWaalsContact CG-NE1 3.31Å; D176-W495 PolarHBondContact OD1-NE1 3Å; D176-W495 VanDerWaalsContact OD2-CZ2 3.3Å; D176-W495 WeakPolarHBondContact OD2-CZ2 3.11Å; D176-W495 PolarHBondContact OD2-NE1 3.12Å; P178-W495 HydrophobicContact CB-CD2 4.23Å; P178-W495 HydrophobicContact CB-CE3 3.82Å; P178-W495 HydrophobicContact CB-CH2 4.46Å; P178-W495 HydrophobicContact CB-CZ3 3.95Å; P178-W495 HydrophobicContact CG-CZ3 4.4Å; Q179-W495 WeakPolarHBondContact CB-O 3.39Å; Q179-W495 PolarHBondContact N-O 2.74Å; K210-W495 HydrophobicContact CB-CD2 4.15Å; K210-W495 HydrophobicContact CB-CE3 3.59Å; K210-W495 HydrophobicContact CB-CZ3 3.88Å; K210-W495 HydrophobicContact CD-CD2 3.59Å; K210-W495 HydrophobicContact CD-CE3 3.83Å; K210-W495 HydrophobicContact CD-CG 4.15Å; K210-W495 HydrophobicContact CD-CH2 4.12Å; K210-W495 HydrophobicContact CD-CZ2 3.88Å; K210-W495 HydrophobicContact CD-CZ3 4.08Å; K210-W495 HydrophobicContact CG-CD2 4.49Å; K210-W495 HydrophobicContact CG-CE3 4.35Å; A491-W495 VanDerWaalsContact O-CB 3.28Å; A491-W495 WeakPolarHBondContact O-CB 3.34Å; A491-W495 PolarHBondContact O-N 3.41Å; E492-W495 PolarHBondContact O-N 3.26Å
496	S	91.9	Very high	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-88.3	164.7	-165	-55.8	0	0	0	0	113.1	L38 E492 E498	L38-S496 PolarHBondContact N-OG 2.92Å; L38-S496 VanDerWaalsContact O-CB 3.3Å; L38-S496 WeakPolarHBondContact O-CB 3.34Å; L38-S496 PolarHBondContact O-OG 3.49Å; E492-S496 WeakPolarHBondContact CG-OG 3.09Å; E492-S496 WeakPolarHBondContact O-CB 3.12Å; E492-S496 PolarHBondContact O-N 3.33Å; E492-S496 PolarHBondContact O-OG 3.35Å; S496-E498 PolarHBondContact O-N 3.08Å
497	N	89.6	Confident	89.9	Confident	47 Å²	47	40.7 Å²	40.7	25%	0.251	19%	0.187	S	C	.	.			trans	-63.6	117.2	174.3	-168.7	-68.1	0	0	0	111.4	R499 Q500 T501	N497-R499 PolarHBondContact O-N 3.48Å; N497-R499 WeakPolarHBondContact OD1-CB 3.5Å; N497-R499 PolarHBondContact OD1-N 3.4Å; N497-Q500 HydrophobicContact CB-CB 4.19Å; N497-Q500 HydrophobicContact CB-CG 4.08Å; N497-Q500 PolarHBondContact O-N 3.02Å; N497-T501 PolarHBondContact O-N 3.1Å; N497-T501 VanDerWaalsContact O-N 3.09Å; N497-T501 PolarHBondContact O-OG1 3.46Å
498	E	83.4	Confident	89.7	Confident	22 Å²	22	43.4 Å²	43.4	10%	0.103	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.1	-172.9	-62.3	-178.1	122.3	0	0	114.4	P449 R493 S496	P449-E498 VanDerWaalsContact CD-OE1 3.24Å; P449-E498 WeakPolarHBondContact CD-OE1 3.32Å; R493-E498 VanDerWaalsContact NH1-CB 3.3Å; R493-E498 PolarHBondContact NH1-O 3.3Å; R493-E498 VanDerWaalsContact NH1-O 3.11Å; S496-E498 PolarHBondContact O-N 3.08Å
499	R	83.7	Confident	89.5	Confident	206 Å²	206	47.2 Å²	47.2	78%	0.777	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-38.4	-179.9	-61.4	-175.2	179.5	-164.1	0.7	111.7	N497 S502	N497-R499 PolarHBondContact O-N 3.48Å; N497-R499 WeakPolarHBondContact OD1-CB 3.5Å; N497-R499 PolarHBondContact OD1-N 3.4Å; R499-S502 PolarHBondContact O-OG 3.48Å; R499-S502 VanDerWaalsContact O-OG 3.04Å
500	Q	83.3	Confident	89.5	Confident	111 Å²	111	48.4 Å²	48.4	52%	0.519	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-34.8	177.9	-66.8	176.6	-16.3	0	0	111.3	Q40 N497 S502	Q40-Q500 PolarHBondContact O-OE1 2.91Å; N497-Q500 HydrophobicContact CB-CB 4.19Å; N497-Q500 HydrophobicContact CB-CG 4.08Å; N497-Q500 PolarHBondContact O-N 3.02Å; Q500-S502 PolarHBondContact O-N 3.47Å
501	T	83.3	Confident	89.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	38.7	-177	57.4	0	0	0	0	112.9	L38 Y445 E492 R493 N497	L38-T501 HydrophobicContact CB-CG2 4.09Å; L38-T501 HydrophobicContact CD2-CG2 3.95Å; Y445-T501 WeakPolarHBondContact CE1-O 3.22Å; Y445-T501 WeakPolarHBondContact OH-CA 3.41Å; Y445-T501 VanDerWaalsContact OH-CB 3.25Å; Y445-T501 WeakPolarHBondContact OH-CB 3.04Å; Y445-T501 PolarHBondContact OH-O 2.68Å; E492-T501 HydrophobicContact CG-CG2 4.08Å; R493-T501 PolarHBondContact NH2-O 3.13Å; N497-T501 PolarHBondContact O-N 3.1Å; N497-T501 VanDerWaalsContact O-N 3.09Å; N497-T501 PolarHBondContact O-OG1 3.46Å
502	S	81.5	Confident	89.4	Confident	56 Å²	56	51.3 Å²	51.3	39%	0.392	24%	0.241	S	C	.	.			trans	-91.5	-17.4	-177.2	55.4	0	0	0	0	115	R499 Q500	R499-S502 PolarHBondContact O-OG 3.48Å; R499-S502 VanDerWaalsContact O-OG 3.04Å; Q500-S502 PolarHBondContact O-N 3.47Å
503	C	86.8	Confident	89.2	Confident	42 Å²	42	55.5 Å²	55.5	28%	0.284	26%	0.261	S	S	.	.			trans	-99.7	118.1	-176.1	174.5	0	0	0	0	111.6	E505 R506 A507	C503-E505 PolarHBondContact SG-OE2 3.5Å; C503-R506 HydrophobicContact CB-CB 4.26Å; C503-R506 HydrophobicContact CB-CG 4.31Å; C503-A507 PolarHBondContact O-N 2.97Å
504	V	88.1	Confident	89.1	Confident	24 Å²	24	55.5 Å²	55.5	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-37.8	-179.6	176.4	0	0	0	0	111	W441 A442 Y445 N446 R506 A507 F508	W441-V504 HydrophobicContact CH2-CG1 3.59Å; W441-V504 HydrophobicContact CZ2-CG1 3.71Å; W441-V504 HydrophobicContact CZ3-CG1 4.35Å; A442-V504 HydrophobicContact CB-CG1 3.61Å; A442-V504 HydrophobicContact CB-CG2 4.1Å; Y445-V504 HydrophobicContact CD1-CG2 4.03Å; N446-V504 VanDerWaalsContact OD1-CG2 3.28Å; N446-V504 WeakPolarHBondContact OD1-CG2 3.47Å; V504-R506 VanDerWaalsContact C-N 3.3Å; V504-R506 PolarHBondContact O-N 3.28Å; V504-A507 WeakPolarHBondContact O-CB 3.09Å; V504-A507 PolarHBondContact O-N 3.22Å; V504-F508 PolarHBondContact O-N 2.91Å
505	E	87.4	Confident	89.1	Confident	145 Å²	145	56.9 Å²	56.9	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-64.9	-35.4	-178.2	-60.8	73.4	-162.3	0	0	111.6	C503 P509	C503-E505 PolarHBondContact SG-OE2 3.5Å; E505-P509 VanDerWaalsContact O-CD 3.24Å; E505-P509 WeakPolarHBondContact O-CD 3.38Å
506	R	89.1	Confident	89	Confident	198 Å²	198	57.9 Å²	57.9	75%	0.747	27%	0.273	S	S	*	.	H	α-helix	trans	-76.6	-23.4	173	-71.1	-177.3	-178.2	-172.7	-0.3	113	C503 V504 R510	C503-R506 HydrophobicContact CB-CB 4.26Å; C503-R506 HydrophobicContact CB-CG 4.31Å; V504-R506 VanDerWaalsContact C-N 3.3Å; V504-R506 PolarHBondContact O-N 3.28Å; R506-R510 PolarHBondContact O-NE 3.46Å
507	A	91.4	Very high	88.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-81.7	-33.3	177.9	0	0	0	0	0	112.6	W36 W441 Y445 C503 V504 R510 L511	W36-A507 HydrophobicContact CH2-CB 4.1Å; W36-A507 HydrophobicContact CZ3-CB 3.97Å; W36-A507 WeakPolarHBondContact CZ3-O 3.36Å; W441-A507 HydrophobicContact CH2-CB 3.86Å; W441-A507 HydrophobicContact CZ3-CB 4.11Å; Y445-A507 HydrophobicContact CE1-CB 3.96Å; Y445-A507 HydrophobicContact CE2-CB 3.98Å; Y445-A507 WeakPolarHBondContact OH-CB 3.45Å; C503-A507 PolarHBondContact O-N 2.97Å; V504-A507 WeakPolarHBondContact O-CB 3.09Å; V504-A507 PolarHBondContact O-N 3.22Å; A507-R510 PolarHBondContact O-N 2.85Å; A507-L511 PolarHBondContact O-N 3.5Å
508	F	91.4	Very high	89.1	Confident	57 Å²	57	56.9 Å²	56.9	25%	0.25	27%	0.266	C	S	.	.	H	α-helix	trans	-53.9	-50.3	-174.9	179.6	-89.9	0	0	0	114.1	W441 V504 R510 L511 Q512 L528	W441-F508 HydrophobicContact CH2-CB 4.35Å; W441-F508 HydrophobicContact CZ2-CB 3.92Å; W441-F508 AromaticContact CZ2-CD2 3.86Å; W441-F508 HydrophobicContact CZ2-CD2 3.86Å; W441-F508 HydrophobicContact CZ2-CG 4.4Å; V504-F508 PolarHBondContact O-N 2.91Å; F508-R510 VanDerWaalsContact C-N 3.31Å; F508-R510 PolarHBondContact O-N 2.86Å; F508-L511 PolarHBondContact O-N 2.91Å; F508-Q512 VanDerWaalsContact CE1-OE1 3.24Å; F508-Q512 WeakPolarHBondContact O-CB 3.49Å; F508-Q512 PolarHBondContact O-N 3.47Å; F508-L528 HydrophobicContact CE2-CB 3.91Å; F508-L528 HydrophobicContact CE2-CD1 4.47Å
509	P	91.3	Very high	89.5	Confident	79 Å²	79	57.2 Å²	57.2	51%	0.513	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-37.5	-179.4	-22.7	34.2	0	0	0	113	E505 Q512 E513	E505-P509 VanDerWaalsContact O-CD 3.24Å; E505-P509 WeakPolarHBondContact O-CD 3.38Å; P509-Q512 PolarHBondContact O-N 3.43Å; P509-E513 PolarHBondContact O-N 2.04Å
510	R	92.7	Very high	89.7	Confident	25 Å²	25	52 Å²	52	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-44.3	179.5	-55	-177.9	-67.5	107.5	-5	111.1	E33 V35 W36 E492 R506 A507 F508 Q512 E513 F514	E33-R510 WeakPolarHBondContact O-CD 3.37Å; E33-R510 VanDerWaalsContact O-CG 3.25Å; E33-R510 WeakPolarHBondContact O-CG 3.06Å; V35-R510 PolarHBondContact O-NH1 3.01Å; W36-R510 HydrophobicContact CE3-CB 3.9Å; W36-R510 VanDerWaalsContact CE3-NH1 3.3Å; W36-R510 HydrophobicContact CZ3-CB 4.31Å; E492-R510 IonicContact OE1-CZ 2.74Å; E492-R510 IonicContact OE1-NH1 3.35Å; E492-R510 PolarHBondContact OE1-NH1 3.47Å; E492-R510 IonicContact OE1-NH2 2.76Å; E492-R510 PolarHBondContact OE1-NH2 2.93Å; E492-R510 IonicContact OE2-CZ 2.89Å; E492-R510 IonicContact OE2-NH1 3.72Å; E492-R510 PolarHBondContact OE2-NH1 3.27Å; E492-R510 IonicContact OE2-NH2 3.32Å; R506-R510 PolarHBondContact O-NE 3.46Å; A507-R510 PolarHBondContact O-N 2.85Å; F508-R510 VanDerWaalsContact C-N 3.31Å; F508-R510 PolarHBondContact O-N 2.86Å; R510-Q512 VanDerWaalsContact C-N 3.32Å; R510-Q512 PolarHBondContact O-N 2.03Å; R510-E513 PolarHBondContact O-N 3.19Å; R510-F514 WeakPolarHBondContact O-CB 3.26Å; R510-F514 PolarHBondContact O-N 3.42Å
511	L	93.1	Very high	90	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-36.3	177.2	-171.1	55.7	0	0	0	111.7	W36 W441 P485 A507 F508 F514 R515 L528	W36-L511 HydrophobicContact CD2-CB 4.44Å; W36-L511 HydrophobicContact CD2-CD1 3.88Å; W36-L511 HydrophobicContact CE3-CB 3.87Å; W36-L511 HydrophobicContact CE3-CD1 4.19Å; W36-L511 HydrophobicContact CG-CD1 4.48Å; W36-L511 HydrophobicContact CH2-CB 3.93Å; W36-L511 HydrophobicContact CH2-CD1 4.11Å; W36-L511 HydrophobicContact CH2-CD2 4.16Å; W36-L511 HydrophobicContact CH2-CG 4.28Å; W36-L511 HydrophobicContact CZ2-CB 4.48Å; W36-L511 HydrophobicContact CZ2-CD1 3.8Å; W36-L511 HydrophobicContact CZ2-CD2 4.34Å; W36-L511 HydrophobicContact CZ2-CG 4.42Å; W36-L511 HydrophobicContact CZ3-CB 3.59Å; W36-L511 HydrophobicContact CZ3-CD1 4.31Å; W36-L511 HydrophobicContact CZ3-CG 4.38Å; W441-L511 HydrophobicContact CB-CD2 4.46Å; W441-L511 HydrophobicContact CD2-CD2 3.47Å; W441-L511 VanDerWaalsContact CD2-CD2 3.47Å; W441-L511 HydrophobicContact CE3-CD2 3.37Å; W441-L511 HydrophobicContact CG-CD2 3.96Å; W441-L511 HydrophobicContact CH2-CD2 4.32Å; W441-L511 HydrophobicContact CZ2-CD2 4.43Å; W441-L511 HydrophobicContact CZ3-CD2 3.82Å; P485-L511 HydrophobicContact CB-CD1 4.11Å; A507-L511 PolarHBondContact O-N 3.5Å; F508-L511 PolarHBondContact O-N 2.91Å; L511-F514 HydrophobicContact CD1-CD1 4.35Å; L511-F514 PolarHBondContact O-N 2.95Å; L511-R515 WeakPolarHBondContact O-CB 3.43Å; L511-R515 PolarHBondContact O-N 3.43Å; L511-L528 HydrophobicContact CB-CD1 3.92Å; L511-L528 HydrophobicContact CD2-CD1 4.03Å; L511-L528 HydrophobicContact CD2-CD2 3.71Å; L511-L528 HydrophobicContact CG-CD1 3.68Å; L511-L528 HydrophobicContact CG-CD2 4.08Å; L511-L528 HydrophobicContact CG-CG 4.5Å
512	Q	92	Very high	90.3	Very high	63 Å²	63	51 Å²	51	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-47.5	175.5	-177.6	175.5	-1	0	0	111.3	F508 P509 R510 F514 R515 C516 L528	F508-Q512 VanDerWaalsContact CE1-OE1 3.24Å; F508-Q512 WeakPolarHBondContact O-CB 3.49Å; F508-Q512 PolarHBondContact O-N 3.47Å; P509-Q512 PolarHBondContact O-N 3.43Å; R510-Q512 VanDerWaalsContact C-N 3.32Å; R510-Q512 PolarHBondContact O-N 2.03Å; Q512-F514 VanDerWaalsContact C-N 3.34Å; Q512-R515 WeakPolarHBondContact O-CB 3.16Å; Q512-R515 PolarHBondContact O-N 3.22Å; Q512-C516 PolarHBondContact O-N 3.16Å; Q512-C516 VanDerWaalsContact O-N 3.08Å; Q512-C516 PolarHBondContact O-SG 3.11Å; Q512-L528 HydrophobicContact CB-CD1 4.07Å
513	E	91.1	Very high	90.9	Very high	88 Å²	88	48.7 Å²	48.7	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-43.3	175	-180	57.5	-157	0	0	111.3	P509 R510 R515 C516 K517	P509-E513 PolarHBondContact O-N 2.04Å; R510-E513 PolarHBondContact O-N 3.19Å; E513-R515 VanDerWaalsContact C-N 3.35Å; E513-R515 PolarHBondContact O-N 3.28Å; E513-C516 WeakPolarHBondContact O-CB 3.5Å; E513-C516 PolarHBondContact O-N 3.39Å; E513-C516 VanDerWaalsContact O-N 3.14Å; E513-K517 PolarHBondContact O-N 2.97Å; E513-K517 WeakPolarHBondContact OE1-CE 3.43Å
514	F	92.6	Very high	91.2	Very high	1 Å²	1	53 Å²	53	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-40.4	175.9	-174.8	-116.6	0	0	0	112.3	W36 S209 R510 L511 Q512 C516 K517 L518	W36-F514 HydrophobicContact CB-CB 3.8Å; W36-F514 HydrophobicContact CB-CD1 4.07Å; W36-F514 HydrophobicContact CB-CD2 3.97Å; W36-F514 HydrophobicContact CB-CG 3.68Å; W36-F514 AromaticContact CD1-CD1 3.72Å; W36-F514 AromaticContact CD1-CE1 3.87Å; W36-F514 HydrophobicContact CG-CB 4.24Å; W36-F514 AromaticContact CG-CD1 3.92Å; W36-F514 HydrophobicContact CG-CD1 3.92Å; W36-F514 HydrophobicContact CG-CE1 4.45Å; W36-F514 HydrophobicContact CG-CG 4.03Å; S209-F514 WeakPolarHBondContact OG-CE1 3.42Å; R510-F514 WeakPolarHBondContact O-CB 3.26Å; R510-F514 PolarHBondContact O-N 3.42Å; L511-F514 HydrophobicContact CD1-CD1 4.35Å; L511-F514 PolarHBondContact O-N 2.95Å; Q512-F514 VanDerWaalsContact C-N 3.34Å; F514-C516 VanDerWaalsContact C-N 3.31Å; F514-C516 PolarHBondContact O-N 3.35Å; F514-K517 WeakPolarHBondContact O-CB 3.45Å; F514-K517 PolarHBondContact O-N 3.32Å; F514-K517 VanDerWaalsContact O-N 3.14Å; F514-L518 HydrophobicContact CD1-CD1 4.11Å; F514-L518 HydrophobicContact CD1-CG 4.35Å; F514-L518 HydrophobicContact CE1-CD1 3.84Å; F514-L518 HydrophobicContact CE1-CD2 4.23Å; F514-L518 HydrophobicContact CE1-CG 4.07Å; F514-L518 HydrophobicContact CE2-CD2 4.48Å; F514-L518 HydrophobicContact CZ-CD1 4.42Å; F514-L518 HydrophobicContact CZ-CD2 3.97Å; F514-L518 HydrophobicContact CZ-CG 4.21Å; F514-L518 WeakPolarHBondContact O-CG 3.35Å; F514-L518 PolarHBondContact O-N 3.43Å
515	R	93.8	Very high	91.5	Very high	28 Å²	28	52 Å²	52	11%	0.106	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-42.8	172.8	179.2	-89.5	179.2	-177.3	-4.8	111.4	P485 L511 Q512 E513 K517 L518 L519 A525 E526 C533 E536	P485-R515 HydrophobicContact CB-CB 4.41Å; P485-R515 HydrophobicContact CG-CB 4.36Å; P485-R515 HydrophobicContact CG-CG 4.21Å; L511-R515 WeakPolarHBondContact O-CB 3.43Å; L511-R515 PolarHBondContact O-N 3.43Å; Q512-R515 WeakPolarHBondContact O-CB 3.16Å; Q512-R515 PolarHBondContact O-N 3.22Å; E513-R515 VanDerWaalsContact C-N 3.35Å; E513-R515 PolarHBondContact O-N 3.28Å; R515-K517 VanDerWaalsContact C-N 3.34Å; R515-K517 PolarHBondContact O-N 3.18Å; R515-L518 WeakPolarHBondContact O-CB 3.46Å; R515-L518 PolarHBondContact O-N 3.11Å; R515-L519 PolarHBondContact O-N 3.41Å; R515-A525 HydrophobicContact CG-CB 4.04Å; R515-A525 PolarHBondContact NE-O 3.33Å; R515-A525 PolarHBondContact NH2-O 3.35Å; R515-E526 WeakPolarHBondContact CG-O 3.47Å; R515-E526 PolarHBondContact NE-O 2.69Å; R515-C533 PolarHBondContact NH1-SG 3.31Å; R515-E536 IonicContact CZ-OE1 2.92Å; R515-E536 IonicContact NH1-OE1 3.13Å; R515-E536 PolarHBondContact NH1-OE1 2.92Å
516	C	91.8	Very high	91.7	Very high	21 Å²	21	47.3 Å²	47.3	14%	0.142	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-37.8	175.5	-65.8	0	0	0	0	112.4	Q512 E513 F514 L519 R520 C533	Q512-C516 PolarHBondContact O-N 3.16Å; Q512-C516 VanDerWaalsContact O-N 3.08Å; Q512-C516 PolarHBondContact O-SG 3.11Å; E513-C516 WeakPolarHBondContact O-CB 3.5Å; E513-C516 PolarHBondContact O-N 3.39Å; E513-C516 VanDerWaalsContact O-N 3.14Å; F514-C516 VanDerWaalsContact C-N 3.31Å; F514-C516 PolarHBondContact O-N 3.35Å; C516-L519 PolarHBondContact O-N 3.42Å; C516-R520 PolarHBondContact O-N 3.22Å; C516-R520 VanDerWaalsContact O-N 3.08Å; C516-C533 WeakPolarHBondContact CA-SG 3.4Å; C516-C533 HydrophobicContact CB-CB 3.64Å; C516-C533 WeakPolarHBondContact CB-SG 3.44Å; C516-C533 WeakPolarHBondContact SG-CB 3.27Å; C516-C533 CovalentContact SG-SG 2.03Å; C516-C533 PolarHBondContact SG-SG 3.26Å
517	K	90.5	Very high	91.8	Very high	26 Å²	26	42 Å²	42	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-39.3	172.5	-68.9	176.1	-176.8	172.4	0	112	Q157 E513 F514 R515 R520 R521	Q157-K517 HydrophobicContact CG-CD 4.42Å; Q157-K517 PolarHBondContact O-NZ 2.99Å; E513-K517 PolarHBondContact O-N 2.97Å; E513-K517 WeakPolarHBondContact OE1-CE 3.43Å; F514-K517 WeakPolarHBondContact O-CB 3.45Å; F514-K517 PolarHBondContact O-N 3.32Å; F514-K517 VanDerWaalsContact O-N 3.14Å; R515-K517 VanDerWaalsContact C-N 3.34Å; R515-K517 PolarHBondContact O-N 3.18Å; K517-R520 PolarHBondContact O-N 2.88Å; K517-R521 VanDerWaalsContact O-CG 3.24Å; K517-R521 WeakPolarHBondContact O-CG 3.43Å; K517-R521 PolarHBondContact O-N 3.29Å; K517-R521 VanDerWaalsContact O-N 3.13Å
518	L	92.3	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-45.8	174.9	-71.5	179	0	0	0	111.9	Y208 W484 F514 R515 R520 R521 G522 I523 A525	Y208-L518 HydrophobicContact CD2-CD2 3.7Å; Y208-L518 HydrophobicContact CG-CD2 4.35Å; W484-L518 HydrophobicContact CB-CD1 4.45Å; F514-L518 HydrophobicContact CD1-CD1 4.11Å; F514-L518 HydrophobicContact CD1-CG 4.35Å; F514-L518 HydrophobicContact CE1-CD1 3.84Å; F514-L518 HydrophobicContact CE1-CD2 4.23Å; F514-L518 HydrophobicContact CE1-CG 4.07Å; F514-L518 HydrophobicContact CE2-CD2 4.48Å; F514-L518 HydrophobicContact CZ-CD1 4.42Å; F514-L518 HydrophobicContact CZ-CD2 3.97Å; F514-L518 HydrophobicContact CZ-CG 4.21Å; F514-L518 WeakPolarHBondContact O-CG 3.35Å; F514-L518 PolarHBondContact O-N 3.43Å; R515-L518 WeakPolarHBondContact O-CB 3.46Å; R515-L518 PolarHBondContact O-N 3.11Å; L518-R520 PolarHBondContact O-N 2.83Å; L518-R521 CarbonylContact O-C 3.55Å; L518-R521 PolarHBondContact O-N 2.66Å; L518-R521 VanDerWaalsContact O-N 3.09Å; L518-G522 PolarHBondContact O-N 3.4Å; L518-I523 CarbonylContact C-O 3.21Å; L518-I523 HydrophobicContact CB-CB 4.14Å; L518-I523 HydrophobicContact CB-CG2 4.47Å; L518-I523 HydrophobicContact CD2-CG1 4.48Å; L518-I523 WeakPolarHBondContact O-CB 3.22Å; L518-I523 PolarHBondContact O-N 3Å; L518-A525 HydrophobicContact CB-CB 4.29Å; L518-A525 HydrophobicContact CD1-CB 4.28Å
519	L	92.1	Very high	91.6	Very high	30 Å²	30	49 Å²	49	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-46.6	175.1	-74.5	-179.6	0	0	0	112.2	R515 C516 R521 G522 I523 E536	R515-L519 PolarHBondContact O-N 3.41Å; C516-L519 PolarHBondContact O-N 3.42Å; L519-R521 PolarHBondContact O-N 2.88Å; L519-R521 VanDerWaalsContact O-N 3.15Å; L519-G522 PolarHBondContact O-N 3.32Å; L519-I523 WeakPolarHBondContact CA-O 3.25Å; L519-E536 HydrophobicContact CD1-CG 4.44Å
520	R	88.3	Confident	91.5	Very high	97 Å²	97	50.8 Å²	50.8	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-28	177.3	-173.6	179.6	178.6	178.2	3.8	112.4	C516 K517 L518 G522	C516-R520 PolarHBondContact O-N 3.22Å; C516-R520 VanDerWaalsContact O-N 3.08Å; K517-R520 PolarHBondContact O-N 2.88Å; L518-R520 PolarHBondContact O-N 2.83Å; R520-G522 VanDerWaalsContact C-N 3.32Å
521	R	89.9	Confident	91.3	Very high	43 Å²	43	52.4 Å²	52.4	16%	0.162	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.9	177.2	-64.4	171.4	-173.3	-171.3	2.7	113.3	I83 E153 S156 Y208 K517 L518 L519	I83-R521 HydrophobicContact CG2-CG 4.36Å; E153-R521 IonicContact OE1-CZ 2.97Å; E153-R521 IonicContact OE1-NH1 3.34Å; E153-R521 PolarHBondContact OE1-NH1 3.33Å; E153-R521 IonicContact OE1-NH2 2.96Å; E153-R521 PolarHBondContact OE1-NH2 3.34Å; E153-R521 IonicContact OE2-CZ 2.68Å; E153-R521 IonicContact OE2-NH1 3.79Å; E153-R521 PolarHBondContact OE2-NH1 3.05Å; E153-R521 IonicContact OE2-NH2 3.39Å; S156-R521 PolarHBondContact OG-NH2 3.2Å; Y208-R521 HydrophobicContact CE2-CB 3.93Å; Y208-R521 HydrophobicContact CE2-CG 4.39Å; K517-R521 VanDerWaalsContact O-CG 3.24Å; K517-R521 WeakPolarHBondContact O-CG 3.43Å; K517-R521 PolarHBondContact O-N 3.29Å; K517-R521 VanDerWaalsContact O-N 3.13Å; L518-R521 CarbonylContact O-C 3.55Å; L518-R521 PolarHBondContact O-N 2.66Å; L518-R521 VanDerWaalsContact O-N 3.09Å; L519-R521 PolarHBondContact O-N 2.88Å; L519-R521 VanDerWaalsContact O-N 3.15Å
522	G	90.1	Very high	91	Very high	49 Å²	49	59.3 Å²	59.3	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	15.7	177.5	0	0	0	0	0	115	L518 L519 R520	L518-G522 PolarHBondContact O-N 3.4Å; L519-G522 PolarHBondContact O-N 3.32Å; R520-G522 VanDerWaalsContact C-N 3.32Å
523	I	93.3	Very high	90.7	Very high	7 Å²	7	57 Å²	57	4%	0.036	30%	0.302	C	S	.	.			trans	-94.2	115.2	173.2	-54.5	-57.2	0	0	0	108.4	K201 A205 Y208 W484 L518 L519 A525	K201-I523 HydrophobicContact CB-CD1 4.47Å; A205-I523 HydrophobicContact CB-CD1 4.07Å; A205-I523 HydrophobicContact CB-CG1 4.11Å; A205-I523 HydrophobicContact CB-CG2 4.06Å; Y208-I523 HydrophobicContact CD2-CG1 4.46Å; Y208-I523 HydrophobicContact CE2-CG1 4.18Å; W484-I523 HydrophobicContact CB-CG2 4.37Å; W484-I523 HydrophobicContact CG-CG2 4.17Å; L518-I523 CarbonylContact C-O 3.21Å; L518-I523 HydrophobicContact CB-CB 4.14Å; L518-I523 HydrophobicContact CB-CG2 4.47Å; L518-I523 HydrophobicContact CD2-CG1 4.48Å; L518-I523 WeakPolarHBondContact O-CB 3.22Å; L518-I523 PolarHBondContact O-N 3Å; L519-I523 WeakPolarHBondContact CA-O 3.25Å; I523-A525 VanDerWaalsContact C-N 3.29Å; I523-A525 PolarHBondContact O-N 3.15Å
524	Q	93.4	Very high	90.1	Very high	132 Å²	132	57.7 Å²	57.7	62%	0.617	30%	0.304	S	S	*	.			trans	-76.3	81.8	-179.3	-169.3	179.8	12.1	0	0	109.8	S480 P481	S480-Q524 CarbonylContact C-O 3.53Å; S480-Q524 PolarHBondContact OG-N 3.07Å; S480-Q524 PolarHBondContact OG-O 3.04Å; P481-Q524 VanDerWaalsContact CA-O 3.24Å; P481-Q524 WeakPolarHBondContact CA-O 3.28Å
525	A	93.3	Very high	89	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.033	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-91.1	135.3	179.6	0	0	0	0	0	111.3	W484 R515 L518 I523	W484-A525 HydrophobicContact CB-CB 3.91Å; W484-A525 CarbonylContact O-C 3.19Å; W484-A525 VanDerWaalsContact O-CA 3.26Å; W484-A525 WeakPolarHBondContact O-CA 3.35Å; R515-A525 HydrophobicContact CG-CB 4.04Å; R515-A525 PolarHBondContact NE-O 3.33Å; R515-A525 PolarHBondContact NH2-O 3.35Å; L518-A525 HydrophobicContact CB-CB 4.29Å; L518-A525 HydrophobicContact CD1-CB 4.28Å; I523-A525 VanDerWaalsContact C-N 3.29Å; I523-A525 PolarHBondContact O-N 3.15Å
526	E	92.1	Very high	87.8	Confident	45 Å²	45	62.3 Å²	62.3	21%	0.21	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.1	153.1	178.3	71.1	-179.5	175	0	0	111.9	P481 W484 P485 R486 R515	P481-E526 HydrophobicContact CB-CB 4.3Å; P481-E526 WeakPolarHBondContact O-CB 3.4Å; P481-E526 VanDerWaalsContact O-CG 3.22Å; P481-E526 WeakPolarHBondContact O-CG 3.23Å; W484-E526 PolarHBondContact O-N 3.45Å; P485-E526 WeakPolarHBondContact CD-O 3.3Å; R486-E526 WeakPolarHBondContact CD-OE1 3.46Å; R486-E526 WeakPolarHBondContact CG-OE1 3.09Å; R486-E526 IonicContact NE-OE1 3.1Å; R486-E526 PolarHBondContact NE-OE1 3.47Å; R515-E526 WeakPolarHBondContact CG-O 3.47Å; R515-E526 PolarHBondContact NE-O 2.69Å
527	P	92	Very high	86.3	Confident	86 Å²	86	69.9 Å²	69.9	56%	0.558	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-70.8	144.8	173.1	29.4	-34.2	0	0	0	111.4
528	L	89	Confident	84.7	Confident	35 Å²	35	74.4 Å²	74.4	18%	0.183	38%	0.375	C	S	.	.	S	Bend	trans	-78.4	-38	175.9	-62	165.6	0	0	0	112.4	W441 P485 F508 L511 Q512	W441-L528 HydrophobicContact CB-CD2 4.37Å; W441-L528 VanDerWaalsContact CD1-CD2 3.48Å; W441-L528 HydrophobicContact CD2-CD2 4.4Å; W441-L528 HydrophobicContact CG-CD2 3.82Å; P485-L528 HydrophobicContact CG-CD2 3.45Å; P485-L528 VanDerWaalsContact CG-CD2 3.45Å; P485-L528 HydrophobicContact CG-CG 4.02Å; F508-L528 HydrophobicContact CE2-CB 3.91Å; F508-L528 HydrophobicContact CE2-CD1 4.47Å; L511-L528 HydrophobicContact CB-CD1 3.92Å; L511-L528 HydrophobicContact CD2-CD1 4.03Å; L511-L528 HydrophobicContact CD2-CD2 3.71Å; L511-L528 HydrophobicContact CG-CD1 3.68Å; L511-L528 HydrophobicContact CG-CD2 4.08Å; L511-L528 HydrophobicContact CG-CG 4.5Å; Q512-L528 HydrophobicContact CB-CD1 4.07Å
529	Y	89.4	Confident	82.3	Confident	171 Å²	171	78.2 Å²	78.2	67%	0.671	40%	0.401	S	S	*	.	S	Bend	trans	-164.5	-170.6	179.8	-159.7	-120.5	0	0	0	109.3	G531	Y529-G531 PolarHBondContact O-N 2.57Å
530	V	88.8	Confident	79.7	Confident	116 Å²	116	83.7 Å²	83.7	70%	0.703	47%	0.465	S	S	*	.	S	Bend	trans	-60.7	133.5	177.5	-55.1	0	0	0	0	111.4
531	G	88.2	Confident	79.3	Confident	58 Å²	58	83 Å²	83	60%	0.598	47%	0.47	S	S	*	.			trans	165.8	-171	-177.1	0	0	0	0	0	112.1	Y529	Y529-G531 PolarHBondContact O-N 2.57Å
532	H	87.2	Confident	78.7	Confident	146 Å²	146	85.1 Å²	85.1	68%	0.676	49%	0.486	S	S	*	.			trans	-146.9	162.1	175.6	69.6	-78.1	0	0	0	110.2
533	C	86.8	Confident	78.1	Confident	13 Å²	13	87.1 Å²	87.1	9%	0.088	49%	0.485	C	S	.	.			trans	-112.6	143.1	166.9	-57.4	0	0	0	0	110.5	R515 C516 H535 E536	R515-C533 PolarHBondContact NH1-SG 3.31Å; C516-C533 WeakPolarHBondContact CA-SG 3.4Å; C516-C533 HydrophobicContact CB-CB 3.64Å; C516-C533 WeakPolarHBondContact CB-SG 3.44Å; C516-C533 WeakPolarHBondContact SG-CB 3.27Å; C516-C533 CovalentContact SG-SG 2.03Å; C516-C533 PolarHBondContact SG-SG 3.26Å; C533-H535 PolarHBondContact O-N 2.81Å; C533-E536 HydrophobicContact CB-CG 3.69Å; C533-E536 PolarHBondContact O-N 2.87Å
534	K	77.4	Confident	77.2	Confident	103 Å²	103	91.8 Å²	91.8	45%	0.448	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.2	-175.8	-172.2	170.4	178.7	173.7	0	114.2	D163 Y537	D163-K534 IonicContact OD1-NZ 2.66Å; D163-K534 PolarHBondContact OD1-NZ 3.34Å; K534-Y537 WeakPolarHBondContact O-CE1 3.47Å
535	H	70.5	Confident	76.2	Confident	44 Å²	44	89.3 Å²	89.3	20%	0.204	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	17.2	-174.7	-60.4	-79.5	0	0	0	114.3	C533 Y537 Q538	C533-H535 PolarHBondContact O-N 2.81Å; H535-Y537 PolarHBondContact O-N 3.45Å; H535-Q538 PolarHBondContact ND1-OE1 3.41Å; H535-Q538 PolarHBondContact O-N 3.3Å
536	E	67.9	Low	75.1	Confident	83 Å²	83	95 Å²	95	39%	0.388	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.7	-177.5	-70.1	-165.5	155.4	0	0	113.4	R515 L519 C533 Q538 S539	R515-E536 IonicContact CZ-OE1 2.92Å; R515-E536 IonicContact NH1-OE1 3.13Å; R515-E536 PolarHBondContact NH1-OE1 2.92Å; L519-E536 HydrophobicContact CD1-CG 4.44Å; C533-E536 HydrophobicContact CB-CG 3.69Å; C533-E536 PolarHBondContact O-N 2.87Å; E536-Q538 PolarHBondContact O-N 3.13Å; E536-S539 PolarHBondContact O-N 3Å; E536-S539 PolarHBondContact O-OG 3.08Å
537	Y	58.9	Low	73.8	Confident	180 Å²	180	98.6 Å²	98.6	71%	0.706	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-74.4	-7.6	179.1	62.2	-92.6	0	0	0	114.5	K534 H535	K534-Y537 WeakPolarHBondContact O-CE1 3.47Å; H535-Y537 PolarHBondContact O-N 3.45Å
538	Q	57	Low	72.5	Confident	121 Å²	121	99.5 Å²	99.5	57%	0.565	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-98.8	-10.2	179.7	-61.5	-178.2	-31.5	0	0	112.7	H535 E536 G540	H535-Q538 PolarHBondContact ND1-OE1 3.41Å; H535-Q538 PolarHBondContact O-N 3.3Å; E536-Q538 PolarHBondContact O-N 3.13Å; Q538-G540 PolarHBondContact O-N 3.17Å; Q538-G540 VanDerWaalsContact O-N 3.13Å
539	S	43.4	Very low	71.1	Confident	79 Å²	79	104.9 Å²	104.9	55%	0.552	59%	0.591	S	S	*	*			trans	-83.5	77.2	176.3	14.1	0	0	0	0	110.3	E536	E536-S539 PolarHBondContact O-N 3Å; E536-S539 PolarHBondContact O-OG 3.08Å
540	G	37.4	Very low	69.4	Low	145 Å²	145	98.9 Å²	98.9	100%	1.495	58%	0.584	S	S	*	*			trans	-115.7	0	170	0	0	0	0	0	111.2	Q538	Q538-G540 PolarHBondContact O-N 3.17Å; Q538-G540 VanDerWaalsContact O-N 3.13Å

Retrieved 540 of 540 residues in 760.8 ms (Link to these results)

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