A0A096MSY5_PAPAN Loading...

Hexosyltransferase

Beta-1,3-N-acetylgalactosaminyltransferase that synthesizes a unique carbohydrate structure, GalNAc-beta-1-3GlcNAc, on N- and O-glycans. Has no galactose nor galactosaminyl transferase activity toward any acceptor substrate. Involved in alpha-dystroglycan (DAG1) glycosylation: acts coordinately with GTDC2/POMGnT2 to synthesize a GalNAc-beta3-GlcNAc-beta-terminus at the 4-position of protein O-mannose in the biosynthesis of the phosphorylated O-mannosyl trisaccharide (N-acetylgalactosamine-beta-3-N-acetylglucosamine-beta-4-(phosphate-6-)mannose), a carbohydrate structure present in alpha-dystroglycan, which is required for binding laminin G-like domain-containing extracellular proteins with high affinity.

AlphaFold DB , UniProt , Accession A0A096MSY5, Species PAPAN (Papio anubis, Olive baboon), Gene B3GALNT2, Length 500 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	47.4	Very low	247 Å²	247	160.3 Å²	160.3	100%	1.217	82%	0.815	S	S	*	*				0	105.5	0	-73.7	-174	-83.7	0	0	109.5
2	R	38	Very low	48.2	Very low	242 Å²	242	155.2 Å²	155.2	91%	0.913	80%	0.797	S	S	*	*			trans	-164	114.3	160.9	-123.8	166.5	139.5	177.9	-7.5	109.1
3	N	36.8	Very low	48.8	Very low	144 Å²	144	152.3 Å²	152.3	77%	0.77	78%	0.783	S	S	*	*			trans	-59.7	130.3	-171.6	-99.7	-13.8	0	0	0	113.9
4	W	43.3	Very low	49.5	Very low	254 Å²	254	144.1 Å²	144.1	96%	0.962	76%	0.755	S	S	*	*			trans	-100.6	50.5	167.2	-86.5	65.8	0	0	0	111.4
5	L	45.1	Very low	50.4	Low	145 Å²	145	138.7 Å²	138.7	76%	0.759	74%	0.739	S	S	*	*			trans	-124.3	19	-172.9	-105.8	161.8	0	0	0	115.3
6	V	52.1	Low	51.1	Low	125 Å²	125	133.6 Å²	133.6	76%	0.758	72%	0.722	S	S	*	*	S	Bend	trans	-118.6	3.6	-175.5	-172.5	0	0	0	0	114.8
7	L	50	Low	51.6	Low	167 Å²	167	132 Å²	132	87%	0.874	71%	0.713	S	S	*	*	S	Bend	trans	-101.8	11.8	-177.2	-85.9	159.8	0	0	0	116.4
8	L	50.4	Low	51.7	Low	153 Å²	153	132.3 Å²	132.3	80%	0.801	71%	0.708	S	S	*	*	S	Bend	trans	-117	11.1	178.6	-78.8	168.1	0	0	0	115
9	C	54.6	Low	51.9	Low	80 Å²	80	131.5 Å²	131.5	54%	0.541	70%	0.703	S	S	.	*	H	α-helix	trans	-87.8	-30.1	-173.5	-136.6	0	0	0	0	116.7
10	P	49.9	Very low	52.1	Low	99 Å²	99	131.9 Å²	131.9	64%	0.643	69%	0.694	S	S	*	*	H	α-helix	trans	-76	-32.6	-174.3	-12.6	27	0	0	0	114	G14	P10-G14 PolarHBondContact O-N 3.24Å
11	C	54.5	Low	52	Low	107 Å²	107	130.6 Å²	130.6	72%	0.723	69%	0.688	S	S	*	*	H	α-helix	trans	-80.9	-31.2	-173.4	-59.5	0	0	0	0	113.1	A15	C11-A15 PolarHBondContact O-N 2.89Å
12	V	57.2	Low	52.2	Low	99 Å²	99	128.8 Å²	128.8	60%	0.6	67%	0.667	S	S	*	*	H	α-helix	trans	-75.3	-34.8	178.6	-177.8	0	0	0	0	111	A16	V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 2.89Å
13	L	55.8	Low	52.7	Low	118 Å²	118	123.8 Å²	123.8	62%	0.618	66%	0.658	S	S	*	*	H	α-helix	trans	-67.1	-38.8	174.4	-82.8	162.5	0	0	0	112.3	A16 L17	L13-A16 PolarHBondContact O-N 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 PolarHBondContact O-N 3.24Å
14	G	59.3	Low	52.9	Low	38 Å²	38	125.3 Å²	125.3	39%	0.392	65%	0.653	S	S	.	*	H	α-helix	trans	-65.7	-41.7	176.7	0	0	0	0	0	113.5	P10 H18	P10-G14 PolarHBondContact O-N 3.24Å; G14-H18 PolarHBondContact O-N 3.11Å
15	A	62.3	Low	52.7	Low	62 Å²	62	117.2 Å²	117.2	51%	0.512	64%	0.635	S	S	.	*	H	α-helix	trans	-68.3	-39.1	175.9	0	0	0	0	0	112.4	C11 L19	C11-A15 PolarHBondContact O-N 2.89Å; A15-L19 PolarHBondContact O-N 3.37Å
16	A	61.5	Low	52.6	Low	57 Å²	57	115.7 Å²	115.7	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-67.8	-37.4	176.9	0	0	0	0	0	112.5	V12 L13 L19 W20	V12-A16 WeakPolarHBondContact O-CB 3.46Å; V12-A16 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 3.29Å; A16-L19 PolarHBondContact O-N 3.31Å; A16-W20 VanDerWaalsContact O-CB 3.24Å; A16-W20 WeakPolarHBondContact O-CB 3.3Å; A16-W20 PolarHBondContact O-N 2.96Å
17	L	59.5	Low	52.4	Low	107 Å²	107	115.3 Å²	115.3	56%	0.56	63%	0.634	S	S	*	*	H	α-helix	trans	-66.9	-40.5	177.3	-154.6	86.1	0	0	0	111.8	L13 W20 L21	L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 PolarHBondContact O-N 3.24Å; L17-W20 PolarHBondContact O-N 3.09Å; L17-L21 HydrophobicContact CD2-CD1 4.48Å; L17-L21 HydrophobicContact CG-CD1 4.36Å; L17-L21 WeakPolarHBondContact O-CB 3.19Å; L17-L21 WeakPolarHBondContact O-CD1 3.4Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.4Å
18	H	55	Low	51.9	Low	138 Å²	138	113.4 Å²	113.4	64%	0.639	63%	0.632	S	S	*	*	H	α-helix	trans	-67.9	-37.6	175.8	-100.3	-65.9	0	0	0	113.1	G14 R22	G14-H18 PolarHBondContact O-N 3.11Å; H18-R22 PolarHBondContact O-N 2.84Å
19	L	54.5	Low	51.1	Low	116 Å²	116	111 Å²	111	61%	0.607	63%	0.633	S	S	*	*	H	α-helix	trans	-69.7	-38.2	175.2	-128.1	83.5	0	0	0	111.5	A15 A16 R22 L23	A15-L19 PolarHBondContact O-N 3.37Å; A16-L19 PolarHBondContact O-N 3.31Å; L19-R22 PolarHBondContact O-N 2.99Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.42Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.16Å; L19-L23 PolarHBondContact O-N 3.43Å; L19-L23 VanDerWaalsContact O-N 3.08Å
20	W	56.7	Low	50	Low	139 Å²	139	118.8 Å²	118.8	53%	0.527	65%	0.652	S	S	.	*	H	α-helix	trans	-69.5	-37	179	-164.2	68.6	0	0	0	112.7	A16 L17 L23 R24	A16-W20 VanDerWaalsContact O-CB 3.24Å; A16-W20 WeakPolarHBondContact O-CB 3.3Å; A16-W20 PolarHBondContact O-N 2.96Å; L17-W20 PolarHBondContact O-N 3.09Å; W20-L23 PolarHBondContact O-N 2.93Å; W20-R24 VanDerWaalsContact CZ2-NH1 3.28Å; W20-R24 PolarHBondContact O-N 3.24Å
21	L	49.3	Very low	49.2	Very low	106 Å²	106	119 Å²	119	56%	0.555	66%	0.661	S	S	*	*	H	α-helix	trans	-67	-35.8	173.8	-78.2	161.6	0	0	0	112.4	L17 S25	L17-L21 HydrophobicContact CD2-CD1 4.48Å; L17-L21 HydrophobicContact CG-CD1 4.36Å; L17-L21 WeakPolarHBondContact O-CB 3.19Å; L17-L21 WeakPolarHBondContact O-CD1 3.4Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.4Å; L21-S25 PolarHBondContact O-OG 3.24Å
22	R	51	Low	48.1	Very low	209 Å²	209	119.8 Å²	119.8	79%	0.789	67%	0.668	S	S	*	*	H	α-helix	trans	-72.1	-27.8	173.8	-79	-169.8	178.9	-169.8	1.4	113.7	H18 L19	H18-R22 PolarHBondContact O-N 2.84Å; L19-R22 PolarHBondContact O-N 2.99Å
23	L	49	Very low	46.7	Very low	137 Å²	137	118.8 Å²	118.8	72%	0.717	68%	0.678	S	S	*	*	H	α-helix	trans	-87.3	-8.3	-179	-72	165.9	0	0	0	114	L19 W20	L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.42Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.16Å; L19-L23 PolarHBondContact O-N 3.43Å; L19-L23 VanDerWaalsContact O-N 3.08Å; W20-L23 PolarHBondContact O-N 2.93Å
24	R	41	Very low	45.6	Very low	176 Å²	176	118.6 Å²	118.6	66%	0.664	69%	0.694	S	S	*	*	S	Bend	trans	-107.8	0	178.8	-93.9	-173.4	172.2	-164.1	-0.9	115.2	W20	W20-R24 VanDerWaalsContact CZ2-NH1 3.28Å; W20-R24 PolarHBondContact O-N 3.24Å
25	S	38.7	Very low	44.1	Very low	84 Å²	84	120.3 Å²	120.3	59%	0.587	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-71.9	125.8	173.6	-51.6	0	0	0	0	110	L21	L21-S25 PolarHBondContact O-OG 3.24Å
26	P	42.6	Very low	42.8	Very low	112 Å²	112	123.2 Å²	123.2	73%	0.727	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-68.8	147.3	173	11.5	-2	0	0	0	109.6
27	P	46.8	Very low	41.7	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.6	146.3	174.2	28.3	-33.1	0	0	0	110	A29	P27-A29 PolarHBondContact O-N 3.01Å
28	P	40.3	Very low	40.6	Very low	128 Å²	128	127.7 Å²	127.7	83%	0.831	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61.6	140.1	174	24.8	-30.9	0	0	0	110.2	R30	P28-R30 PolarHBondContact O-N 3.04Å
29	A	34	Very low	39.5	Very low	101 Å²	101	130 Å²	130	84%	0.835	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-57.7	129.1	-175.5	0	0	0	0	0	112	P27 A31	P27-A29 PolarHBondContact O-N 3.01Å; A29-A31 PolarHBondContact O-N 3.21Å
30	R	32.2	Very low	38.9	Very low	245 Å²	245	133.3 Å²	133.3	93%	0.925	78%	0.784	S	S	*	*			trans	-64.6	112.4	165	-79.3	175.3	168.7	172.5	-4.6	109.1	P28	P28-R30 PolarHBondContact O-N 3.04Å
31	A	31.3	Very low	38.2	Very low	103 Å²	103	130.1 Å²	130.1	85%	0.851	79%	0.788	S	S	*	*			trans	-84.5	110.6	154.5	0	0	0	0	0	107.8	A29	A29-A31 PolarHBondContact O-N 3.21Å
32	S	31.3	Very low	37.8	Very low	123 Å²	123	133.3 Å²	133.3	86%	0.86	80%	0.804	S	S	*	*			trans	-78.2	115.7	177.7	48	0	0	0	0	111.2
33	G	29.6	Very low	37	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	81%	0.808	S	S	*	*			trans	-142.2	106.6	156.4	0	0	0	0	0	107.4
34	A	32.4	Very low	36.4	Very low	114 Å²	114	131.6 Å²	131.6	94%	0.942	81%	0.809	S	S	*	*			trans	-102.2	132.8	-172.1	0	0	0	0	0	111.9
35	G	27.7	Very low	36.1	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	82%	0.82	S	S	*	*			trans	134.9	139.9	153.6	0	0	0	0	0	115
36	P	34.2	Very low	36	Very low	124 Å²	124	138.2 Å²	138.2	81%	0.805	83%	0.829	S	S	*	*			cis	-120.9	136.2	-34.5	32.1	-16.3	0	0	0	111.6	D38	P36-D38 PolarHBondContact O-N 3.33Å
37	A	38.4	Very low	35.8	Very low	106 Å²	106	142 Å²	142	88%	0.876	83%	0.834	S	S	*	*			trans	-79.1	92.3	158.1	0	0	0	0	0	107.6
38	D	36.6	Very low	36	Very low	151 Å²	151	139.8 Å²	139.8	81%	0.807	82%	0.822	S	S	*	*			trans	-166.7	72.5	158.5	-108.5	-12.4	0	0	0	108.8	P36	P36-D38 PolarHBondContact O-N 3.33Å
39	Q	32.9	Very low	37.7	Very low	188 Å²	188	137.7 Å²	137.7	88%	0.879	81%	0.806	S	S	*	*			trans	-154.9	63.8	156.1	-105.3	179.3	15	0	0	108.2	A41	Q39-A41 PolarHBondContact O-N 3.49Å; Q39-A41 VanDerWaalsContact O-N 3.11Å
40	L	41.3	Very low	40.4	Very low	184 Å²	184	136.6 Å²	136.6	96%	0.963	78%	0.784	S	S	*	*			trans	-80.8	67.4	164.3	-130.5	154.9	0	0	0	107.4
41	A	42.2	Very low	43.4	Very low	73 Å²	73	127.1 Å²	127.1	60%	0.603	75%	0.749	S	S	*	*			trans	-170	139.9	169.3	0	0	0	0	0	110	Q39	Q39-A41 PolarHBondContact O-N 3.49Å; Q39-A41 VanDerWaalsContact O-N 3.11Å
42	L	39.6	Very low	46.4	Very low	172 Å²	172	124 Å²	124	90%	0.901	72%	0.718	S	S	*	*			trans	87.1	44.4	179.1	-51.7	166.5	0	0	0	116.2
43	F	34.1	Very low	49.5	Very low	198 Å²	198	118.2 Å²	118.2	87%	0.868	68%	0.677	S	S	*	*			trans	-76	128.6	134.2	-72.5	-76.3	0	0	0	106.6	Q45	F43-Q45 PolarHBondContact O-N 2.95Å
44	P	37.2	Very low	52.8	Low	113 Å²	113	114.5 Å²	114.5	73%	0.734	64%	0.638	S	S	*	*			trans	-53.8	131.4	163.4	-10.8	24	0	0	0	105.8	W46	P44-W46 VanDerWaalsContact C-N 3.34Å; P44-W46 PolarHBondContact O-N 2.7Å
45	Q	35.1	Very low	55.9	Low	190 Å²	190	109 Å²	109	89%	0.888	59%	0.593	S	S	*	*			trans	-51.3	106.8	166.4	-78	178.7	-22.4	0	0	107	F43 K47	F43-Q45 PolarHBondContact O-N 2.95Å; Q45-K47 PolarHBondContact O-N 3.5Å
46	W	35.7	Very low	59.3	Low	209 Å²	209	105.6 Å²	105.6	79%	0.792	56%	0.558	S	S	*	*			trans	-63.3	104.9	174	-174.2	-94.6	0	0	0	105.9	P44 S48	P44-W46 VanDerWaalsContact C-N 3.34Å; P44-W46 PolarHBondContact O-N 2.7Å; W46-S48 VanDerWaalsContact CD1-CA 3.43Å; W46-S48 PolarHBondContact O-N 3.09Å
47	K	39.3	Very low	62.4	Low	190 Å²	190	99.7 Å²	99.7	83%	0.826	52%	0.52	S	S	*	.			trans	-64.8	91.5	162	-80	-175.1	177.4	-179.9	0	105.4	Q45 T49	Q45-K47 PolarHBondContact O-N 3.5Å; K47-T49 VanDerWaalsContact C-N 3.31Å; K47-T49 PolarHBondContact O-N 3.42Å
48	S	50.5	Low	65.2	Low	72 Å²	72	95.1 Å²	95.1	50%	0.503	48%	0.481	S	S	.	.			trans	-60.8	94.2	173.5	162.6	0	0	0	0	108.3	W46 H50	W46-S48 VanDerWaalsContact CD1-CA 3.43Å; W46-S48 PolarHBondContact O-N 3.09Å; S48-H50 PolarHBondContact O-N 2.81Å; S48-H50 VanDerWaalsContact O-N 3.15Å
49	T	75.3	Confident	68.2	Low	83 Å²	83	88.1 Å²	88.1	51%	0.509	44%	0.443	S	S	.	.			trans	-67.1	108.5	162.1	40.4	0	0	0	0	107.2	K47	K47-T49 VanDerWaalsContact C-N 3.31Å; K47-T49 PolarHBondContact O-N 3.42Å
50	H	91.8	Very high	71.3	Confident	79 Å²	79	80.6 Å²	80.6	37%	0.366	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.8	170.3	175.6	79	0	0	0	108.5	S48 S348 N350	S48-H50 PolarHBondContact O-N 2.81Å; S48-H50 VanDerWaalsContact O-N 3.15Å; H50-S348 WeakPolarHBondContact CA-O 3.5Å; H50-S348 PolarHBondContact ND1-O 3.39Å; H50-S348 PolarHBondContact ND1-OG 2.83Å; H50-N350 PolarHBondContact CE1-OD1 2.68Å; H50-N350 VanDerWaalsContact NE2-CG 3.34Å; H50-N350 PolarHBondContact NE2-ND2 2.9Å; H50-N350 PolarHBondContact NE2-OD1 3.08Å
51	Y	94.9	Very high	73.9	Confident	46 Å²	46	72.3 Å²	72.3	18%	0.18	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142	178.3	-61.3	-78.6	0	0	0	110.6	R87 L89 S348 F349 N350	Y51-R87 CarbonylContact C-O 3.56Å; Y51-L89 HydrophobicContact CD1-CB 3.79Å; Y51-L89 HydrophobicContact CD2-CB 3.97Å; Y51-L89 HydrophobicContact CD2-CD2 4.23Å; Y51-L89 HydrophobicContact CE1-CB 3.87Å; Y51-L89 HydrophobicContact CE2-CB 4.06Å; Y51-L89 HydrophobicContact CE2-CD2 3.98Å; Y51-L89 HydrophobicContact CE2-CG 4.42Å; Y51-L89 HydrophobicContact CG-CB 3.83Å; Y51-S348 PolarHBondContact N-O 3.02Å; Y51-F349 CarbonylContact O-C 3.58Å; Y51-F349 WeakPolarHBondContact O-CA 3.36Å; Y51-N350 PolarHBondContact O-N 2.72Å
52	D	95.1	Very high	76.5	Confident	38 Å²	38	74.5 Å²	74.5	20%	0.203	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-38.8	172.7	-69.3	-18.1	0	0	0	110.9	R87 N350 L351 F367	D52-R87 HydrophobicContact CB-CB 4.38Å; D52-R87 PolarHBondContact N-O 2.85Å; D52-R87 IonicContact OD2-CZ 2.72Å; D52-R87 IonicContact OD2-NE 3.63Å; D52-R87 PolarHBondContact OD2-NE 2.92Å; D52-R87 IonicContact OD2-NH2 2.83Å; D52-R87 PolarHBondContact OD2-NH2 2.56Å; D52-N350 WeakPolarHBondContact O-CB 3.18Å; D52-N350 PolarHBondContact OD1-ND2 3.17Å; D52-L351 PolarHBondContact O-N 3.07Å; D52-F367 HydrophobicContact CB-CE1 4.22Å; D52-F367 HydrophobicContact CB-CZ 4.5Å
53	V	96.2	Very high	79.3	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.2	178.7	-177.5	0	0	0	0	110.1	V55 R87 V88 L89 L351 L353 F367 I370	V53-V55 HydrophobicContact CG1-CG2 4.12Å; V53-R87 PolarHBondContact N-O 3.04Å; V53-V88 WeakPolarHBondContact O-CA 3.39Å; V53-L89 PolarHBondContact O-N 3.19Å; V53-L89 VanDerWaalsContact O-N 3.1Å; V53-L351 WeakPolarHBondContact CA-O 3.48Å; V53-L351 HydrophobicContact CG2-CB 4.19Å; V53-L351 HydrophobicContact CG2-CD1 4.43Å; V53-L353 HydrophobicContact CG1-CB 3.9Å; V53-F367 HydrophobicContact CB-CE2 4.01Å; V53-F367 HydrophobicContact CB-CZ 3.73Å; V53-F367 HydrophobicContact CG2-CE1 3.97Å; V53-F367 HydrophobicContact CG2-CE2 3.65Å; V53-F367 HydrophobicContact CG2-CZ 3.24Å; V53-I370 HydrophobicContact CG2-CD1 4.42Å
54	V	97.9	Very high	82.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.7	162.3	176.5	0	0	0	0	108.1	L89 F339 T343 F349 L351 L352 L353	V54-L89 CarbonylContact C-O 3.49Å; V54-L89 WeakPolarHBondContact CA-O 3.48Å; V54-L89 HydrophobicContact CG2-CB 4.29Å; V54-L89 HydrophobicContact CG2-CD2 4.38Å; V54-F339 HydrophobicContact CG1-CZ 4.08Å; V54-T343 HydrophobicContact CB-CG2 4.28Å; V54-T343 HydrophobicContact CG1-CG2 3.96Å; V54-T343 HydrophobicContact CG2-CG2 4.2Å; V54-F349 HydrophobicContact CG2-CB 3.57Å; V54-F349 HydrophobicContact CG2-CD1 4.24Å; V54-F349 HydrophobicContact CG2-CD2 4.39Å; V54-F349 HydrophobicContact CG2-CG 3.81Å; V54-L351 PolarHBondContact N-O 2.95Å; V54-L352 CarbonylContact O-C 3.56Å; V54-L352 VanDerWaalsContact O-CA 3.31Å; V54-L352 WeakPolarHBondContact O-CA 3.3Å; V54-L353 PolarHBondContact O-N 2.87Å
55	V	98.5	Very high	85.1	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.6	175.1	-179.3	0	0	0	0	108.7	V53 V57 W74 V88 L89 V90 K91 L353 T355 L363	V53-V55 HydrophobicContact CG1-CG2 4.12Å; V55-V57 HydrophobicContact CG1-CG2 4.13Å; V55-W74 HydrophobicContact CG1-CH2 4.38Å; V55-V88 HydrophobicContact CG2-CG1 3.75Å; V55-L89 PolarHBondContact N-O 2.92Å; V55-V90 HydrophobicContact CB-CB 4.45Å; V55-V90 HydrophobicContact CB-CG1 4.34Å; V55-V90 HydrophobicContact CB-CG2 4.12Å; V55-V90 HydrophobicContact CG1-CG1 4.33Å; V55-V90 HydrophobicContact CG2-CG2 4.38Å; V55-V90 WeakPolarHBondContact O-CA 3.44Å; V55-K91 PolarHBondContact O-N 3.05Å; V55-L353 CarbonylContact C-O 3.55Å; V55-L353 VanDerWaalsContact CA-O 3.31Å; V55-L353 WeakPolarHBondContact CA-O 3.46Å; V55-L353 HydrophobicContact CG1-CD2 3.87Å; V55-L353 HydrophobicContact CG2-CB 4.2Å; V55-L353 HydrophobicContact CG2-CD2 4.5Å; V55-T355 HydrophobicContact CG1-CG2 4.2Å; V55-L363 HydrophobicContact CG2-CD2 4.09Å
56	G	98.6	Very high	88.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.7	170.1	0	0	0	0	0	110.7	L353 K354 T355	G56-L353 PolarHBondContact N-O 3.5Å; G56-K354 WeakPolarHBondContact O-CA 3.37Å; G56-T355 PolarHBondContact O-N 2.88Å
57	V	98.8	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.3	176.3	-171.5	0	0	0	0	108.7	V55 S59 I70 W74 V90 K91 F92 I93 T355 D357	V55-V57 HydrophobicContact CG1-CG2 4.13Å; V57-S59 PolarHBondContact O-N 3.24Å; V57-I70 HydrophobicContact CG1-CD1 3.99Å; V57-W74 HydrophobicContact CG2-CH2 3.69Å; V57-W74 HydrophobicContact CG2-CZ2 4.15Å; V57-V90 HydrophobicContact CG2-CG1 4.05Å; V57-K91 PolarHBondContact N-O 3.33Å; V57-F92 HydrophobicContact CB-CD1 3.72Å; V57-F92 HydrophobicContact CB-CE1 4.12Å; V57-F92 HydrophobicContact CG1-CD1 3.77Å; V57-F92 HydrophobicContact CG1-CE1 3.89Å; V57-F92 HydrophobicContact CG2-CD1 4.35Å; V57-F92 HydrophobicContact CG2-CE1 4.39Å; V57-F92 CarbonylContact O-C 3.59Å; V57-F92 WeakPolarHBondContact O-CA 3.19Å; V57-I93 PolarHBondContact O-N 3.18Å; V57-T355 CarbonylContact C-O 3.46Å; V57-T355 WeakPolarHBondContact CA-O 3.46Å; V57-T355 HydrophobicContact CB-CG2 4.35Å; V57-T355 HydrophobicContact CG1-CG2 4.3Å; V57-T355 HydrophobicContact CG2-CG2 3.87Å; V57-D357 HydrophobicContact CG1-CB 3.93Å
58	L	98.6	Very high	94	Very high	10 Å²	10	39 Å²	39	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.3	173.4	-65.1	173.1	0	0	0	108.9	I93 V332 K335 L336 K354 T355 D357 E439	L58-I93 HydrophobicContact CD2-CB 4.13Å; L58-I93 HydrophobicContact CD2-CD1 3.79Å; L58-I93 HydrophobicContact CD2-CG2 4.32Å; L58-I93 HydrophobicContact CG-CD1 4.4Å; L58-V332 HydrophobicContact CD1-CG1 3.63Å; L58-V332 HydrophobicContact CD2-CG1 4.49Å; L58-K335 HydrophobicContact CD2-CD 3.86Å; L58-K335 HydrophobicContact CD2-CG 4.24Å; L58-L336 HydrophobicContact CD2-CD1 4.48Å; L58-K354 HydrophobicContact CD1-CD 4.49Å; L58-T355 PolarHBondContact N-O 3.22Å; L58-D357 PolarHBondContact O-N 2.66Å; L58-D357 VanDerWaalsContact O-N 3.08Å; L58-E439 HydrophobicContact CD1-CG 4.16Å
59	S	98.4	Very high	96.2	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.021	19%	0.189	C	C	.	.			trans	-135.2	142.1	-179.7	-173	0	0	0	0	110.7	V57 R67 I93 K335 D357	V57-S59 PolarHBondContact O-N 3.24Å; S59-R67 WeakPolarHBondContact OG-CG 3.48Å; S59-R67 PolarHBondContact OG-NH1 3.2Å; S59-I93 PolarHBondContact N-O 3.28Å; S59-I93 VanDerWaalsContact N-O 3.1Å; S59-I93 VanDerWaalsContact O-O 3.11Å; S59-K335 PolarHBondContact O-NZ 3.4Å; S59-D357 WeakPolarHBondContact CA-OD2 3.33Å; S59-D357 WeakPolarHBondContact CB-OD2 3.37Å; S59-D357 PolarHBondContact OG-OD2 2.74Å
60	A	97.6	Very high	97.3	Very high	30 Å²	30	32.4 Å²	32.4	25%	0.248	17%	0.165	C	C	.	.			trans	-78.4	152	169.8	0	0	0	0	0	109.9	N62 N63 R67	A60-N62 VanDerWaalsContact C-N 3.28Å; A60-N62 WeakPolarHBondContact CB-OD1 3.41Å; A60-N62 PolarHBondContact O-N 2.62Å; A60-N63 HydrophobicContact CB-CB 4.38Å; A60-N63 WeakPolarHBondContact O-CB 3.48Å; A60-N63 PolarHBondContact O-N 3.37Å; A60-R67 PolarHBondContact O-NH1 3.31Å
61	R	97.6	Very high	97.6	Very high	11 Å²	11	30 Å²	30	4%	0.042	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-46.2	-178.3	-70.9	170.1	62.8	98	0.9	112.8	N63 R67 I94 G95 A96 H97 E306 D307 L310 D327	R61-N63 VanDerWaalsContact C-N 3.35Å; R61-N63 PolarHBondContact O-N 2.96Å; R61-R67 PolarHBondContact O-NH1 3.38Å; R61-R67 PolarHBondContact O-NH2 3.14Å; R61-R67 VanDerWaalsContact O-NH2 3.08Å; R61-I94 HydrophobicContact CB-CG2 4.32Å; R61-I94 HydrophobicContact CG-CG2 3.47Å; R61-I94 VanDerWaalsContact CG-CG2 3.47Å; R61-G95 PolarHBondContact NH1-O 2.86Å; R61-A96 PolarHBondContact NH1-O 3.1Å; R61-H97 VanDerWaalsContact NH1-C 3.35Å; R61-E306 VanDerWaalsContact CB-CD 3.49Å; R61-E306 HydrophobicContact CB-CG 4.38Å; R61-E306 WeakPolarHBondContact CB-OE1 3.38Å; R61-E306 IonicContact CZ-OE2 2.75Å; R61-E306 IonicContact NE-OE2 3.5Å; R61-E306 PolarHBondContact NE-OE2 3.05Å; R61-E306 IonicContact NH2-OE2 2.82Å; R61-E306 PolarHBondContact NH2-OE2 2.83Å; R61-D307 IonicContact CZ-OD1 3.65Å; R61-D307 IonicContact NH1-OD1 2.73Å; R61-D307 IonicContact NH2-OD1 3.4Å; R61-D307 PolarHBondContact NH2-OD1 2.97Å; R61-L310 HydrophobicContact CB-CD1 3.79Å; R61-L310 HydrophobicContact CG-CD1 3.92Å; R61-D327 VanDerWaalsContact CD-CB 3.42Å; R61-D327 HydrophobicContact CG-CB 3.82Å; R61-D327 WeakPolarHBondContact CG-OD2 3.34Å
62	N	95.5	Very high	97.7	Very high	119 Å²	119	30.5 Å²	30.5	64%	0.636	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.1	-179.6	64.8	-25.2	0	0	0	115.5	A60 H64 E306	A60-N62 VanDerWaalsContact C-N 3.28Å; A60-N62 WeakPolarHBondContact CB-OD1 3.41Å; A60-N62 PolarHBondContact O-N 2.62Å; N62-H64 PolarHBondContact O-N 2.91Å; N62-E306 WeakPolarHBondContact CB-OE1 3.36Å; N62-E306 PolarHBondContact N-OE1 2.64Å; N62-E306 VanDerWaalsContact N-OE1 3.12Å
63	N	97.8	Very high	97.8	Very high	44 Å²	44	29 Å²	29	24%	0.235	16%	0.155	C	C	.	.			trans	-80.5	40.2	-178.2	-75.8	-1.2	0	0	0	114.1	A60 R61 E65 L66 R67 D357	A60-N63 HydrophobicContact CB-CB 4.38Å; A60-N63 WeakPolarHBondContact O-CB 3.48Å; A60-N63 PolarHBondContact O-N 3.37Å; R61-N63 VanDerWaalsContact C-N 3.35Å; R61-N63 PolarHBondContact O-N 2.96Å; N63-E65 VanDerWaalsContact C-N 3.32Å; N63-E65 PolarHBondContact O-N 3.15Å; N63-L66 HydrophobicContact CB-CB 4.33Å; N63-L66 HydrophobicContact CB-CD1 4.14Å; N63-L66 PolarHBondContact O-N 2.89Å; N63-R67 PolarHBondContact O-N 3.27Å; N63-R67 VanDerWaalsContact O-N 3.15Å; N63-D357 WeakPolarHBondContact CB-OD2 3.19Å; N63-D357 PolarHBondContact ND2-OD1 3.13Å; N63-D357 PolarHBondContact ND2-OD2 3.46Å
64	H	96.9	Very high	97.7	Very high	80 Å²	80	29.1 Å²	29.1	37%	0.37	16%	0.155	S	C	.	.	H	α-helix	trans	-58.4	-40.7	-177.7	-179	74	0	0	0	113	N62 R67 N68 E313	N62-H64 PolarHBondContact O-N 2.91Å; H64-R67 PolarHBondContact O-N 2.98Å; H64-N68 PolarHBondContact CD2-ND2 2.84Å; H64-N68 VanDerWaalsContact CD2-ND2 3.27Å; H64-N68 PolarHBondContact CE1-ND2 3.4Å; H64-N68 PolarHBondContact NE2-ND2 2.7Å; H64-N68 PolarHBondContact O-N 3.46Å; H64-E313 IonicContact CE1-OE2 2.64Å; H64-E313 IonicContact CG-OE2 3.69Å; H64-E313 IonicContact ND1-OE1 3.61Å; H64-E313 IonicContact ND1-OE2 3.3Å; H64-E313 PolarHBondContact ND1-OE2 3.27Å
65	E	98.1	Very high	97.6	Very high	137 Å²	137	30 Å²	30	64%	0.64	16%	0.16	S	C	*	.	H	α-helix	trans	-64.2	-42.1	178.9	-66.4	-170.2	172.1	0	0	112.8	N63 N68 V69 P478	N63-E65 VanDerWaalsContact C-N 3.32Å; N63-E65 PolarHBondContact O-N 3.15Å; E65-N68 PolarHBondContact O-N 3.14Å; E65-V69 WeakPolarHBondContact O-CG2 3.16Å; E65-V69 PolarHBondContact O-N 3.25Å; E65-P478 HydrophobicContact CB-CB 4.44Å; E65-P478 HydrophobicContact CB-CG 3.99Å
66	L	98.4	Very high	97.5	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.099	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-44.8	176.8	-76.1	170.8	0	0	0	111	N63 N68 V69 I70 D357 D358 P478 L481	N63-L66 HydrophobicContact CB-CB 4.33Å; N63-L66 HydrophobicContact CB-CD1 4.14Å; N63-L66 PolarHBondContact O-N 2.89Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.34Å; L66-V69 PolarHBondContact O-N 3.18Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.46Å; L66-D357 HydrophobicContact CB-CB 4.26Å; L66-D358 HydrophobicContact CD1-CB 4.26Å; L66-P478 HydrophobicContact CD2-CB 4.46Å; L66-P478 HydrophobicContact CD2-CG 3.76Å; L66-P478 HydrophobicContact CG-CG 4.03Å; L66-L481 HydrophobicContact CD2-CD1 3.96Å
67	R	98.4	Very high	97.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-43.2	174.9	-65.3	-166.7	-68.7	-85.2	3.8	111.9	S59 A60 R61 N63 H64 V69 I70 R71 F92 L310 E313	S59-R67 WeakPolarHBondContact OG-CG 3.48Å; S59-R67 PolarHBondContact OG-NH1 3.2Å; A60-R67 PolarHBondContact O-NH1 3.31Å; R61-R67 PolarHBondContact O-NH1 3.38Å; R61-R67 PolarHBondContact O-NH2 3.14Å; R61-R67 VanDerWaalsContact O-NH2 3.08Å; N63-R67 PolarHBondContact O-N 3.27Å; N63-R67 VanDerWaalsContact O-N 3.15Å; H64-R67 PolarHBondContact O-N 2.98Å; R67-V69 PolarHBondContact O-N 2.98Å; R67-I70 PolarHBondContact O-N 3.34Å; R67-R71 WeakPolarHBondContact O-CG 3.27Å; R67-R71 PolarHBondContact O-N 3.28Å; R67-F92 HydrophobicContact CB-CD1 4.35Å; R67-F92 HydrophobicContact CB-CE1 3.92Å; R67-F92 HydrophobicContact CB-CE2 4.15Å; R67-F92 HydrophobicContact CB-CZ 3.81Å; R67-F92 HydrophobicContact CG-CD1 3.64Å; R67-F92 HydrophobicContact CG-CD2 4.4Å; R67-F92 HydrophobicContact CG-CE1 3.63Å; R67-F92 HydrophobicContact CG-CE2 4.4Å; R67-F92 HydrophobicContact CG-CG 4.04Å; R67-F92 HydrophobicContact CG-CZ 4.02Å; R67-L310 VanDerWaalsContact NH2-CD2 3.31Å; R67-E313 IonicContact CZ-OE1 2.7Å; R67-E313 IonicContact CZ-OE2 2.79Å; R67-E313 IonicContact NE-OE1 2.8Å; R67-E313 PolarHBondContact NE-OE1 3.42Å; R67-E313 IonicContact NE-OE2 2.74Å; R67-E313 PolarHBondContact NE-OE2 3.41Å; R67-E313 IonicContact NH2-OE1 2.73Å; R67-E313 IonicContact NH2-OE2 2.62Å; R67-E313 PolarHBondContact NH2-OE2 3.14Å
68	N	98.3	Very high	96.9	Very high	46 Å²	46	37.6 Å²	37.6	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-38.7	176.3	-73.4	-16.2	0	0	0	113.2	H64 E65 L66 R71 S72	H64-N68 PolarHBondContact CD2-ND2 2.84Å; H64-N68 VanDerWaalsContact CD2-ND2 3.27Å; H64-N68 PolarHBondContact CE1-ND2 3.4Å; H64-N68 PolarHBondContact NE2-ND2 2.7Å; H64-N68 PolarHBondContact O-N 3.46Å; E65-N68 PolarHBondContact O-N 3.14Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.34Å; N68-R71 PolarHBondContact O-N 3.29Å; N68-R71 PolarHBondContact OD1-NH1 3.34Å; N68-S72 WeakPolarHBondContact O-CB 3.48Å; N68-S72 PolarHBondContact O-N 3.01Å; N68-S72 PolarHBondContact O-OG 2.75Å
69	V	98.2	Very high	96.6	Very high	16 Å²	16	42 Å²	42	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-44	174.2	168.9	0	0	0	0	110.6	E65 L66 R67 R71 S72 T73 P478 L481 T482	E65-V69 WeakPolarHBondContact O-CG2 3.16Å; E65-V69 PolarHBondContact O-N 3.25Å; L66-V69 PolarHBondContact O-N 3.18Å; R67-V69 PolarHBondContact O-N 2.98Å; V69-R71 PolarHBondContact O-N 3.34Å; V69-S72 WeakPolarHBondContact CA-OG 3.32Å; V69-S72 CarbonylContact O-C 3.56Å; V69-S72 PolarHBondContact O-N 2.03Å; V69-S72 VanDerWaalsContact O-N 3.14Å; V69-S72 PolarHBondContact O-OG 2.94Å; V69-S72 VanDerWaalsContact O-OG 3.09Å; V69-T73 HydrophobicContact CG1-CG2 3.92Å; V69-T73 VanDerWaalsContact O-CB 3.29Å; V69-T73 WeakPolarHBondContact O-CB 3.12Å; V69-T73 VanDerWaalsContact O-CG2 3.25Å; V69-T73 WeakPolarHBondContact O-CG2 3.37Å; V69-T73 PolarHBondContact O-N 3.43Å; V69-T73 PolarHBondContact O-OG1 3.5Å; V69-P478 HydrophobicContact CG2-CB 3.71Å; V69-L481 HydrophobicContact CG1-CB 3.63Å; V69-L481 HydrophobicContact CG1-CD1 4.3Å; V69-T482 WeakPolarHBondContact CG1-OG1 3.16Å
70	I	98.3	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-50.7	174.2	-73.6	174.7	0	0	0	111	V57 L66 R67 S72 T73 W74 M75 F92 D357	V57-I70 HydrophobicContact CG1-CD1 3.99Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.46Å; R67-I70 PolarHBondContact O-N 3.34Å; I70-S72 PolarHBondContact O-N 3.32Å; I70-T73 PolarHBondContact O-N 2.8Å; I70-T73 VanDerWaalsContact O-N 3.11Å; I70-T73 PolarHBondContact O-OG1 2.99Å; I70-W74 HydrophobicContact CB-CZ2 4.15Å; I70-W74 HydrophobicContact CD1-CZ2 3.84Å; I70-W74 HydrophobicContact CG1-CZ2 3.9Å; I70-W74 HydrophobicContact CG2-CD2 4.1Å; I70-W74 VanDerWaalsContact CG2-CE2 3.48Å; I70-W74 HydrophobicContact CG2-CE3 4.43Å; I70-W74 HydrophobicContact CG2-CH2 3.62Å; I70-W74 HydrophobicContact CG2-CZ2 3.24Å; I70-W74 HydrophobicContact CG2-CZ3 4.2Å; I70-M75 HydrophobicContact CG2-CB 3.98Å; I70-M75 HydrophobicContact CG2-SD 4.46Å; I70-M75 VanDerWaalsContact O-CB 3.22Å; I70-M75 WeakPolarHBondContact O-CB 3.33Å; I70-M75 PolarHBondContact O-N 2.86Å; I70-F92 HydrophobicContact CB-CE1 4.17Å; I70-F92 HydrophobicContact CB-CZ 3.92Å; I70-F92 HydrophobicContact CD1-CE1 3.9Å; I70-F92 HydrophobicContact CG2-CE1 3.96Å; I70-F92 HydrophobicContact CG2-CZ 3.61Å; I70-D357 HydrophobicContact CD1-CB 4Å; I70-D357 VanDerWaalsContact CD1-O 3.31Å; I70-D357 WeakPolarHBondContact CD1-O 3.19Å
71	R	97.9	Very high	96	Very high	28 Å²	28	48.7 Å²	48.7	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-54.8	-34.5	177.3	-74.4	176.5	-172	117.3	4.2	112.9	R67 N68 V69 M75 R76 F92 E313 D319	R67-R71 WeakPolarHBondContact O-CG 3.27Å; R67-R71 PolarHBondContact O-N 3.28Å; N68-R71 PolarHBondContact O-N 3.29Å; N68-R71 PolarHBondContact OD1-NH1 3.34Å; V69-R71 PolarHBondContact O-N 3.34Å; R71-M75 HydrophobicContact CG-SD 4.07Å; R71-R76 WeakPolarHBondContact O-CB 3.44Å; R71-R76 PolarHBondContact O-N 2.02Å; R71-F92 HydrophobicContact CG-CE2 4.17Å; R71-F92 HydrophobicContact CG-CZ 4.42Å; R71-E313 IonicContact CZ-OE1 2.75Å; R71-E313 IonicContact NH1-OE1 2.83Å; R71-E313 PolarHBondContact NH1-OE1 3.4Å; R71-E313 IonicContact NH2-OE1 3.86Å; R71-E313 PolarHBondContact NH2-OE1 3.03Å; R71-D319 IonicContact CZ-OD1 2.7Å; R71-D319 IonicContact CZ-OD2 3.6Å; R71-D319 IonicContact NE-OD1 2.85Å; R71-D319 IonicContact NE-OD2 3.43Å; R71-D319 PolarHBondContact NE-OD2 2.68Å; R71-D319 IonicContact NH2-OD1 3.22Å; R71-D319 PolarHBondContact NH2-OD1 3.24Å; R71-D319 IonicContact NH2-OD2 2.8Å; R71-D319 PolarHBondContact NH2-OD2 2.69Å
72	S	97.1	Very high	95.6	Very high	56 Å²	56	53.5 Å²	53.5	39%	0.392	27%	0.272	S	S	.	.	H	α-helix	trans	-95	-5.9	-177.7	60.3	0	0	0	0	114.8	N68 V69 I70 R76	N68-S72 WeakPolarHBondContact O-CB 3.48Å; N68-S72 PolarHBondContact O-N 3.01Å; N68-S72 PolarHBondContact O-OG 2.75Å; V69-S72 WeakPolarHBondContact CA-OG 3.32Å; V69-S72 CarbonylContact O-C 3.56Å; V69-S72 PolarHBondContact O-N 2.03Å; V69-S72 VanDerWaalsContact O-N 3.14Å; V69-S72 PolarHBondContact O-OG 2.94Å; V69-S72 VanDerWaalsContact O-OG 3.09Å; I70-S72 PolarHBondContact O-N 3.32Å; S72-R76 PolarHBondContact O-NE 3.19Å
73	T	96.1	Very high	95.2	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.043	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-110.2	-178.4	57.5	0	0	0	0	111.6	V69 I70 M75 R76 H77 W485	V69-T73 HydrophobicContact CG1-CG2 3.92Å; V69-T73 VanDerWaalsContact O-CB 3.29Å; V69-T73 WeakPolarHBondContact O-CB 3.12Å; V69-T73 VanDerWaalsContact O-CG2 3.25Å; V69-T73 WeakPolarHBondContact O-CG2 3.37Å; V69-T73 PolarHBondContact O-N 3.43Å; V69-T73 PolarHBondContact O-OG1 3.5Å; I70-T73 PolarHBondContact O-N 2.8Å; I70-T73 VanDerWaalsContact O-N 3.11Å; I70-T73 PolarHBondContact O-OG1 2.99Å; T73-M75 VanDerWaalsContact C-N 3.3Å; T73-M75 PolarHBondContact O-N 3.49Å; T73-R76 WeakPolarHBondContact O-CB 3.32Å; T73-R76 PolarHBondContact O-N 3.29Å; T73-R76 VanDerWaalsContact O-N 3.16Å; T73-H77 PolarHBondContact O-N 3.33Å; T73-W485 HydrophobicContact CG2-CB 3.75Å; T73-W485 HydrophobicContact CG2-CG 4.1Å
74	W	94.8	Very high	94.7	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-32.5	-173.9	53.7	-97.6	0	0	0	113.3	V55 V57 I70 H77 L78 V90 I361 L363 W485	V55-W74 HydrophobicContact CG1-CH2 4.38Å; V57-W74 HydrophobicContact CG2-CH2 3.69Å; V57-W74 HydrophobicContact CG2-CZ2 4.15Å; I70-W74 HydrophobicContact CB-CZ2 4.15Å; I70-W74 HydrophobicContact CD1-CZ2 3.84Å; I70-W74 HydrophobicContact CG1-CZ2 3.9Å; I70-W74 HydrophobicContact CG2-CD2 4.1Å; I70-W74 VanDerWaalsContact CG2-CE2 3.48Å; I70-W74 HydrophobicContact CG2-CE3 4.43Å; I70-W74 HydrophobicContact CG2-CH2 3.62Å; I70-W74 HydrophobicContact CG2-CZ2 3.24Å; I70-W74 HydrophobicContact CG2-CZ3 4.2Å; W74-H77 PolarHBondContact O-N 3.31Å; W74-L78 WeakPolarHBondContact O-CB 3.49Å; W74-L78 PolarHBondContact O-N 2.81Å; W74-V90 HydrophobicContact CH2-CG1 4Å; W74-V90 HydrophobicContact CZ3-CG1 4Å; W74-V90 HydrophobicContact CZ3-CG2 4.29Å; W74-I361 HydrophobicContact CD2-CG2 4.11Å; W74-I361 HydrophobicContact CE3-CG2 4.2Å; W74-I361 HydrophobicContact CG-CG2 4.49Å; W74-L363 HydrophobicContact CE3-CD1 3.85Å; W74-L363 HydrophobicContact CE3-CG 4.5Å; W74-L363 HydrophobicContact CZ3-CD1 4.01Å; W74-W485 HydrophobicContact CB-CD2 4.16Å; W74-W485 VanDerWaalsContact CB-CE2 3.44Å; W74-W485 HydrophobicContact CB-CH2 4.05Å; W74-W485 HydrophobicContact CB-CZ2 3.45Å; W74-W485 VanDerWaalsContact CB-CZ2 3.45Å; W74-W485 AromaticContact CD1-NE1 3.55Å; W74-W485 HydrophobicContact CG-CZ2 4.49Å; W74-W485 AromaticContact CG-NE1 3.96Å
75	M	96.2	Very high	94.4	Very high	19 Å²	19	47.9 Å²	47.9	9%	0.094	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-40.2	176.2	-174.1	179.5	174.2	0	0	110.7	I70 R71 T73 H77 L78 L79 V90 F92 D319	I70-M75 HydrophobicContact CG2-CB 3.98Å; I70-M75 HydrophobicContact CG2-SD 4.46Å; I70-M75 VanDerWaalsContact O-CB 3.22Å; I70-M75 WeakPolarHBondContact O-CB 3.33Å; I70-M75 PolarHBondContact O-N 2.86Å; R71-M75 HydrophobicContact CG-SD 4.07Å; T73-M75 VanDerWaalsContact C-N 3.3Å; T73-M75 PolarHBondContact O-N 3.49Å; M75-H77 VanDerWaalsContact C-N 3.33Å; M75-H77 PolarHBondContact O-N 2.98Å; M75-L78 WeakPolarHBondContact O-CB 3.49Å; M75-L78 PolarHBondContact O-N 3.22Å; M75-L79 HydrophobicContact CE-CD1 4.34Å; M75-L79 HydrophobicContact CG-CD1 4.24Å; M75-L79 WeakPolarHBondContact O-CB 3.27Å; M75-L79 VanDerWaalsContact O-CG 3.28Å; M75-L79 WeakPolarHBondContact O-CG 3.27Å; M75-L79 PolarHBondContact O-N 3.34Å; M75-V90 HydrophobicContact CE-CB 4.25Å; M75-V90 HydrophobicContact SD-CB 4.46Å; M75-V90 HydrophobicContact SD-CG1 4.2Å; M75-F92 HydrophobicContact SD-CE2 4.44Å; M75-D319 HydrophobicContact CE-CB 4.13Å
76	R	95.2	Very high	94	Very high	95 Å²	95	49 Å²	49	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-47.8	172.1	-174	-177.1	70.1	-177.8	0.3	110.9	R71 S72 T73 L78 L79 Q80 E489	R71-R76 WeakPolarHBondContact O-CB 3.44Å; R71-R76 PolarHBondContact O-N 2.02Å; S72-R76 PolarHBondContact O-NE 3.19Å; T73-R76 WeakPolarHBondContact O-CB 3.32Å; T73-R76 PolarHBondContact O-N 3.29Å; T73-R76 VanDerWaalsContact O-N 3.16Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.43Å; R76-L79 PolarHBondContact O-N 3.31Å; R76-Q80 WeakPolarHBondContact O-CG 3.49Å; R76-Q80 PolarHBondContact O-N 2.82Å; R76-E489 IonicContact CZ-OE1 2.74Å; R76-E489 IonicContact NH2-OE1 3.46Å; R76-E489 PolarHBondContact NH2-OE1 3.1Å; R76-E489 IonicContact NH2-OE2 2.64Å; R76-E489 PolarHBondContact NH2-OE2 3.08Å
77	H	92.3	Very high	93.7	Very high	59 Å²	59	53.1 Å²	53.1	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-44.8	179.8	-173.2	80.9	0	0	0	111.4	T73 W74 M75 Q80 H81 W485	T73-H77 PolarHBondContact O-N 3.33Å; W74-H77 PolarHBondContact O-N 3.31Å; M75-H77 VanDerWaalsContact C-N 3.33Å; M75-H77 PolarHBondContact O-N 2.98Å; H77-Q80 PolarHBondContact O-N 3.49Å; H77-H81 PolarHBondContact O-N 3.2Å; H77-H81 VanDerWaalsContact O-N 3.1Å; H77-W485 HydrophobicContact CB-CZ3 4.25Å
78	L	93.4	Very high	93.6	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-49.2	174	174.3	74	0	0	0	112.5	W74 M75 R76 Q80 H81 L84 V88 V90 L363	W74-L78 WeakPolarHBondContact O-CB 3.49Å; W74-L78 PolarHBondContact O-N 2.81Å; M75-L78 WeakPolarHBondContact O-CB 3.49Å; M75-L78 PolarHBondContact O-N 3.22Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.43Å; L78-Q80 PolarHBondContact O-N 3Å; L78-H81 VanDerWaalsContact O-CB 3.31Å; L78-H81 WeakPolarHBondContact O-CB 3.27Å; L78-H81 PolarHBondContact O-N 3.09Å; L78-L84 HydrophobicContact CD1-CB 3.64Å; L78-L84 HydrophobicContact CD1-CD1 4.35Å; L78-V88 HydrophobicContact CD1-CB 3.93Å; L78-V88 HydrophobicContact CD1-CG1 4.27Å; L78-V88 HydrophobicContact CD1-CG2 3.85Å; L78-V88 HydrophobicContact CD2-CB 3.91Å; L78-V88 HydrophobicContact CD2-CG1 3.65Å; L78-V88 HydrophobicContact CG-CB 4.38Å; L78-V90 HydrophobicContact CD2-CG2 3.44Å; L78-V90 VanDerWaalsContact CD2-CG2 3.44Å; L78-L363 HydrophobicContact CB-CD1 4.18Å; L78-L363 HydrophobicContact CD1-CD1 3.95Å; L78-L363 HydrophobicContact CD2-CD1 3.69Å; L78-L363 HydrophobicContact CG-CD1 4.14Å
79	L	91.3	Very high	93.5	Very high	101 Å²	101	52.5 Å²	52.5	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-66	-26.1	-177.5	-70.4	173.8	0	0	0	112.6	M75 R76 S85	M75-L79 HydrophobicContact CE-CD1 4.34Å; M75-L79 HydrophobicContact CG-CD1 4.24Å; M75-L79 WeakPolarHBondContact O-CB 3.27Å; M75-L79 VanDerWaalsContact O-CG 3.28Å; M75-L79 WeakPolarHBondContact O-CG 3.27Å; M75-L79 PolarHBondContact O-N 3.34Å; R76-L79 PolarHBondContact O-N 3.31Å; L79-S85 VanDerWaalsContact O-CB 3.3Å; L79-S85 WeakPolarHBondContact O-CB 3Å
80	Q	92.6	Very high	93.4	Very high	136 Å²	136	52.3 Å²	52.3	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-86.7	-12.5	174.8	-68.4	176.3	-6.3	0	0	113.1	R76 H77 L78	R76-Q80 WeakPolarHBondContact O-CG 3.49Å; R76-Q80 PolarHBondContact O-N 2.82Å; H77-Q80 PolarHBondContact O-N 3.49Å; L78-Q80 PolarHBondContact O-N 3Å
81	H	91.8	Very high	93.4	Very high	38 Å²	38	53.4 Å²	53.4	18%	0.176	27%	0.271	C	S	.	.			trans	-70.5	129	-178.1	-163.5	-84.1	0	0	0	111	H77 L78 T83 L84 S85	H77-H81 PolarHBondContact O-N 3.2Å; H77-H81 VanDerWaalsContact O-N 3.1Å; L78-H81 VanDerWaalsContact O-CB 3.31Å; L78-H81 WeakPolarHBondContact O-CB 3.27Å; L78-H81 PolarHBondContact O-N 3.09Å; H81-T83 PolarHBondContact CE1-OG1 2.98Å; H81-T83 PolarHBondContact ND1-N 3.23Å; H81-T83 PolarHBondContact ND1-OG1 3.2Å; H81-T83 VanDerWaalsContact ND1-OG1 3.14Å; H81-T83 PolarHBondContact O-N 3.08Å; H81-T83 VanDerWaalsContact O-N 3.14Å; H81-L84 HydrophobicContact CB-CB 4.05Å; H81-L84 WeakPolarHBondContact ND1-CG 3.38Å; H81-L84 PolarHBondContact ND1-N 3.48Å; H81-S85 VanDerWaalsContact O-CB 3.32Å; H81-S85 WeakPolarHBondContact O-CB 3.26Å; H81-S85 PolarHBondContact O-N 3.15Å; H81-S85 PolarHBondContact O-OG 3.3Å
82	P	88.4	Confident	93.5	Very high	113 Å²	113	52 Å²	52	73%	0.734	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.5	-169.7	23.1	-34.5	0	0	0	113.9
83	T	87.2	Confident	93.6	Very high	78 Å²	78	49.4 Å²	49.4	48%	0.479	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-27.5	-177.8	58.8	0	0	0	0	114.1	H81 R87	H81-T83 PolarHBondContact CE1-OG1 2.98Å; H81-T83 PolarHBondContact ND1-N 3.23Å; H81-T83 PolarHBondContact ND1-OG1 3.2Å; H81-T83 VanDerWaalsContact ND1-OG1 3.14Å; H81-T83 PolarHBondContact O-N 3.08Å; H81-T83 VanDerWaalsContact O-N 3.14Å; T83-R87 WeakPolarHBondContact O-CD 3.42Å; T83-R87 VanDerWaalsContact O-CG 3.26Å; T83-R87 WeakPolarHBondContact O-CG 3.02Å
84	L	88.8	Confident	93.7	Very high	7 Å²	7	49 Å²	49	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-27	-171.8	-65	175.7	0	0	0	112.3	L78 H81 Q86 R87 V88 E364 F367	L78-L84 HydrophobicContact CD1-CB 3.64Å; L78-L84 HydrophobicContact CD1-CD1 4.35Å; H81-L84 HydrophobicContact CB-CB 4.05Å; H81-L84 WeakPolarHBondContact ND1-CG 3.38Å; H81-L84 PolarHBondContact ND1-N 3.48Å; L84-Q86 PolarHBondContact O-N 2.9Å; L84-Q86 VanDerWaalsContact O-N 3.1Å; L84-R87 PolarHBondContact O-N 2.88Å; L84-V88 PolarHBondContact O-N 2.97Å; L84-V88 VanDerWaalsContact O-N 3.11Å; L84-E364 HydrophobicContact CD1-CB 4.5Å; L84-F367 HydrophobicContact CD2-CB 4.27Å; L84-F367 HydrophobicContact CD2-CD1 3.61Å; L84-F367 HydrophobicContact CD2-CD2 4.03Å; L84-F367 HydrophobicContact CD2-CE1 3.85Å; L84-F367 HydrophobicContact CD2-CE2 4.25Å; L84-F367 HydrophobicContact CD2-CG 3.69Å; L84-F367 HydrophobicContact CD2-CZ 4.16Å
85	S	89.8	Confident	93.8	Very high	39 Å²	39	48.9 Å²	48.9	27%	0.273	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.2	-178.5	54.3	0	0	0	0	114.6	L79 H81	L79-S85 VanDerWaalsContact O-CB 3.3Å; L79-S85 WeakPolarHBondContact O-CB 3Å; H81-S85 VanDerWaalsContact O-CB 3.32Å; H81-S85 WeakPolarHBondContact O-CB 3.26Å; H81-S85 PolarHBondContact O-N 3.15Å; H81-S85 PolarHBondContact O-OG 3.3Å
86	Q	89.3	Confident	93.9	Very high	162 Å²	162	49.5 Å²	49.5	76%	0.757	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.5	177.1	-63	-176.8	-3.1	0	0	113.7	L84	L84-Q86 PolarHBondContact O-N 2.9Å; L84-Q86 VanDerWaalsContact O-N 3.1Å
87	R	92.9	Very high	94.1	Very high	104 Å²	104	49.1 Å²	49.1	39%	0.392	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-15.4	-173.3	-62.3	173	72.4	-170.6	-0.9	112.6	Y51 D52 V53 T83 L84	Y51-R87 CarbonylContact C-O 3.56Å; D52-R87 HydrophobicContact CB-CB 4.38Å; D52-R87 PolarHBondContact N-O 2.85Å; D52-R87 IonicContact OD2-CZ 2.72Å; D52-R87 IonicContact OD2-NE 3.63Å; D52-R87 PolarHBondContact OD2-NE 2.92Å; D52-R87 IonicContact OD2-NH2 2.83Å; D52-R87 PolarHBondContact OD2-NH2 2.56Å; V53-R87 PolarHBondContact N-O 3.04Å; T83-R87 WeakPolarHBondContact O-CD 3.42Å; T83-R87 VanDerWaalsContact O-CG 3.26Å; T83-R87 WeakPolarHBondContact O-CG 3.02Å; L84-R87 PolarHBondContact O-N 2.88Å
88	V	95	Very high	94.3	Very high	9 Å²	9	47 Å²	47	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	-174.9	-175.3	0	0	0	0	110.9	V53 V55 L78 L84 V90 F367	V53-V88 WeakPolarHBondContact O-CA 3.39Å; V55-V88 HydrophobicContact CG2-CG1 3.75Å; L78-V88 HydrophobicContact CD1-CB 3.93Å; L78-V88 HydrophobicContact CD1-CG1 4.27Å; L78-V88 HydrophobicContact CD1-CG2 3.85Å; L78-V88 HydrophobicContact CD2-CB 3.91Å; L78-V88 HydrophobicContact CD2-CG1 3.65Å; L78-V88 HydrophobicContact CG-CB 4.38Å; L84-V88 PolarHBondContact O-N 2.97Å; L84-V88 VanDerWaalsContact O-N 3.11Å; V88-V90 HydrophobicContact CG1-CG2 4.07Å; V88-F367 HydrophobicContact CG2-CE1 4.47Å; V88-F367 HydrophobicContact CG2-CE2 3.43Å; V88-F367 VanDerWaalsContact CG2-CE2 3.43Å; V88-F367 HydrophobicContact CG2-CZ 3.36Å
89	L	96.1	Very high	94.5	Very high	25 Å²	25	47 Å²	47	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.5	168.2	179.5	64.9	0	0	0	108.7	Y51 V53 V54 V55 K91 T347	Y51-L89 HydrophobicContact CD1-CB 3.79Å; Y51-L89 HydrophobicContact CD2-CB 3.97Å; Y51-L89 HydrophobicContact CD2-CD2 4.23Å; Y51-L89 HydrophobicContact CE1-CB 3.87Å; Y51-L89 HydrophobicContact CE2-CB 4.06Å; Y51-L89 HydrophobicContact CE2-CD2 3.98Å; Y51-L89 HydrophobicContact CE2-CG 4.42Å; Y51-L89 HydrophobicContact CG-CB 3.83Å; V53-L89 PolarHBondContact O-N 3.19Å; V53-L89 VanDerWaalsContact O-N 3.1Å; V54-L89 CarbonylContact C-O 3.49Å; V54-L89 WeakPolarHBondContact CA-O 3.48Å; V54-L89 HydrophobicContact CG2-CB 4.29Å; V54-L89 HydrophobicContact CG2-CD2 4.38Å; V55-L89 PolarHBondContact N-O 2.92Å; L89-K91 HydrophobicContact CG-CG 4.28Å; L89-T347 HydrophobicContact CD2-CG2 3.75Å
90	V	97.8	Very high	94.8	Very high	12 Å²	12	48.7 Å²	48.7	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.4	174.7	-174.3	0	0	0	0	108.9	V55 V57 W74 M75 L78 V88	V55-V90 HydrophobicContact CB-CB 4.45Å; V55-V90 HydrophobicContact CB-CG1 4.34Å; V55-V90 HydrophobicContact CB-CG2 4.12Å; V55-V90 HydrophobicContact CG1-CG1 4.33Å; V55-V90 HydrophobicContact CG2-CG2 4.38Å; V55-V90 WeakPolarHBondContact O-CA 3.44Å; V57-V90 HydrophobicContact CG2-CG1 4.05Å; W74-V90 HydrophobicContact CH2-CG1 4Å; W74-V90 HydrophobicContact CZ3-CG1 4Å; W74-V90 HydrophobicContact CZ3-CG2 4.29Å; M75-V90 HydrophobicContact CE-CB 4.25Å; M75-V90 HydrophobicContact SD-CB 4.46Å; M75-V90 HydrophobicContact SD-CG1 4.2Å; L78-V90 HydrophobicContact CD2-CG2 3.44Å; L78-V90 VanDerWaalsContact CD2-CG2 3.44Å; V88-V90 HydrophobicContact CG1-CG2 4.07Å
91	K	98.4	Very high	95	Very high	23 Å²	23	43.2 Å²	43.2	10%	0.1	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.4	174.5	-68.2	-64.8	-177.9	170.9	0	111.3	V55 V57 L89 D318 D319 V321 F339 W342	V55-K91 PolarHBondContact O-N 3.05Å; V57-K91 PolarHBondContact N-O 3.33Å; L89-K91 HydrophobicContact CG-CG 4.28Å; K91-D318 PolarHBondContact NZ-O 2.79Å; K91-D319 CarbonylContact C-O 3.54Å; K91-D319 VanDerWaalsContact CA-O 3.3Å; K91-D319 WeakPolarHBondContact CA-O 3.31Å; K91-V321 HydrophobicContact CB-CG2 3.85Å; K91-V321 HydrophobicContact CD-CG2 3.97Å; K91-V321 HydrophobicContact CG-CG2 3.88Å; K91-F339 HydrophobicContact CB-CE2 4.3Å; K91-W342 HydrophobicContact CD-CH2 4.48Å; K91-W342 HydrophobicContact CG-CH2 4.05Å; K91-W342 HydrophobicContact CG-CZ3 4.26Å
92	F	98.8	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.6	165.1	-63.3	-74.4	0	0	0	109.8	V57 R67 I70 R71 M75 D319 I320 V321	V57-F92 HydrophobicContact CB-CD1 3.72Å; V57-F92 HydrophobicContact CB-CE1 4.12Å; V57-F92 HydrophobicContact CG1-CD1 3.77Å; V57-F92 HydrophobicContact CG1-CE1 3.89Å; V57-F92 HydrophobicContact CG2-CD1 4.35Å; V57-F92 HydrophobicContact CG2-CE1 4.39Å; V57-F92 CarbonylContact O-C 3.59Å; V57-F92 WeakPolarHBondContact O-CA 3.19Å; R67-F92 HydrophobicContact CB-CD1 4.35Å; R67-F92 HydrophobicContact CB-CE1 3.92Å; R67-F92 HydrophobicContact CB-CE2 4.15Å; R67-F92 HydrophobicContact CB-CZ 3.81Å; R67-F92 HydrophobicContact CG-CD1 3.64Å; R67-F92 HydrophobicContact CG-CD2 4.4Å; R67-F92 HydrophobicContact CG-CE1 3.63Å; R67-F92 HydrophobicContact CG-CE2 4.4Å; R67-F92 HydrophobicContact CG-CG 4.04Å; R67-F92 HydrophobicContact CG-CZ 4.02Å; I70-F92 HydrophobicContact CB-CE1 4.17Å; I70-F92 HydrophobicContact CB-CZ 3.92Å; I70-F92 HydrophobicContact CD1-CE1 3.9Å; I70-F92 HydrophobicContact CG2-CE1 3.96Å; I70-F92 HydrophobicContact CG2-CZ 3.61Å; R71-F92 HydrophobicContact CG-CE2 4.17Å; R71-F92 HydrophobicContact CG-CZ 4.42Å; M75-F92 HydrophobicContact SD-CE2 4.44Å; F92-D319 HydrophobicContact CD2-CB 4.33Å; F92-D319 WeakPolarHBondContact CE2-OD2 3.49Å; F92-D319 PolarHBondContact N-O 3.13Å; F92-I320 HydrophobicContact CB-CG1 4.23Å; F92-I320 CarbonylContact O-C 3.57Å; F92-I320 WeakPolarHBondContact O-CA 3.32Å; F92-V321 PolarHBondContact O-N 3.46Å
93	I	98.6	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.7	-177.2	-47.9	162.5	0	0	0	107.5	V57 L58 S59 V323 K335 F339	V57-I93 PolarHBondContact O-N 3.18Å; L58-I93 HydrophobicContact CD2-CB 4.13Å; L58-I93 HydrophobicContact CD2-CD1 3.79Å; L58-I93 HydrophobicContact CD2-CG2 4.32Å; L58-I93 HydrophobicContact CG-CD1 4.4Å; S59-I93 PolarHBondContact N-O 3.28Å; S59-I93 VanDerWaalsContact N-O 3.1Å; S59-I93 VanDerWaalsContact O-O 3.11Å; I93-V323 HydrophobicContact CG2-CG1 4.25Å; I93-V323 HydrophobicContact CG2-CG2 3.85Å; I93-K335 HydrophobicContact CG2-CD 4.08Å; I93-K335 HydrophobicContact CG2-CG 3.69Å; I93-F339 HydrophobicContact CD1-CB 3.83Å; I93-F339 HydrophobicContact CD1-CD1 3.33Å; I93-F339 HydrophobicContact CD1-CD2 3.74Å; I93-F339 HydrophobicContact CD1-CE1 3.69Å; I93-F339 HydrophobicContact CD1-CE2 4.07Å; I93-F339 HydrophobicContact CD1-CG 3.34Å; I93-F339 HydrophobicContact CD1-CZ 4.03Å; I93-F339 HydrophobicContact CG1-CB 4.2Å; I93-F339 HydrophobicContact CG1-CD1 4.14Å; I93-F339 HydrophobicContact CG1-CD2 3.57Å; I93-F339 HydrophobicContact CG1-CE1 4.39Å; I93-F339 HydrophobicContact CG1-CE2 3.86Å; I93-F339 HydrophobicContact CG1-CG 3.71Å; I93-F339 HydrophobicContact CG1-CZ 4.25Å; I93-F339 HydrophobicContact CG2-CB 3.82Å; I93-F339 HydrophobicContact CG2-CD2 4.35Å; I93-F339 HydrophobicContact CG2-CG 4.26Å
94	I	98.6	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.6	-175	-56.7	-177.2	0	0	0	109.1	R61 A96 L310 I320 V321 F322 V323	R61-I94 HydrophobicContact CB-CG2 4.32Å; R61-I94 HydrophobicContact CG-CG2 3.47Å; R61-I94 VanDerWaalsContact CG-CG2 3.47Å; I94-A96 PolarHBondContact O-N 2.91Å; I94-L310 HydrophobicContact CD1-CD2 3.83Å; I94-L310 HydrophobicContact CG2-CD1 4.42Å; I94-I320 HydrophobicContact CB-CG2 4.32Å; I94-I320 HydrophobicContact CD1-CD1 4.07Å; I94-I320 HydrophobicContact CD1-CG1 4.29Å; I94-I320 HydrophobicContact CD1-CG2 3.83Å; I94-I320 HydrophobicContact CG1-CG2 4.12Å; I94-V321 PolarHBondContact N-O 3.31Å; I94-F322 HydrophobicContact CB-CD1 4.22Å; I94-F322 HydrophobicContact CB-CE1 4.3Å; I94-F322 HydrophobicContact CG2-CD1 4.31Å; I94-F322 HydrophobicContact CG2-CE1 4.2Å; I94-F322 WeakPolarHBondContact O-CA 3.45Å; I94-V323 WeakPolarHBondContact O-CG2 3.42Å; I94-V323 PolarHBondContact O-N 2.8Å
95	G	98.3	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.2	172.5	0	0	0	0	0	110.7	R61 H97 V325 D327	R61-G95 PolarHBondContact NH1-O 2.86Å; G95-H97 PolarHBondContact O-N 2.82Å; G95-V325 CarbonylContact C-O 3.57Å; G95-V325 WeakPolarHBondContact CA-O 3.25Å; G95-D327 WeakPolarHBondContact CA-OD2 3.37Å; G95-D327 PolarHBondContact N-OD2 3.22Å
96	A	98	Very high	96.2	Very high	32 Å²	32	41.3 Å²	41.3	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-25.5	-178	0	0	0	0	0	112.8	R61 I94 F322 V323 V325	R61-A96 PolarHBondContact NH1-O 3.1Å; I94-A96 PolarHBondContact O-N 2.91Å; A96-F322 HydrophobicContact CB-CB 4.29Å; A96-V323 WeakPolarHBondContact CB-O 3.27Å; A96-V323 PolarHBondContact N-O 2.92Å; A96-V325 PolarHBondContact N-O 2.99Å
97	H	97.8	Very high	96.1	Very high	88 Å²	88	34.6 Å²	34.6	41%	0.407	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.8	-176.4	-48.8	-67.2	0	0	0	111.3	R61 G95 D324 V325 V326 D327	R61-H97 VanDerWaalsContact NH1-C 3.35Å; G95-H97 PolarHBondContact O-N 2.82Å; H97-D324 IonicContact CD2-OD1 2.74Å; H97-D324 PolarHBondContact CD2-OD1 2.78Å; H97-D324 IonicContact CE1-OD1 3.68Å; H97-D324 IonicContact NE2-OD1 3.1Å; H97-D324 PolarHBondContact NE2-OD1 3.35Å; H97-V325 PolarHBondContact N-O 2.96Å; H97-V326 HydrophobicContact CB-CG2 4.21Å; H97-V326 CarbonylContact O-C 3.47Å; H97-V326 WeakPolarHBondContact O-CA 3.47Å; H97-D327 PolarHBondContact O-N 3.23Å
98	G	97.2	Very high	95.8	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	16%	0.16	C	C	.	.			trans	-76.2	155.9	165.6	0	0	0	0	0	110.7	E100	G98-E100 PolarHBondContact O-N 2.92Å
99	C	97.6	Very high	95.6	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.034	18%	0.176	C	C	.	.			trans	-76.9	119	172.9	173.9	0	0	0	0	110.3	V101 R106 C112 H299 L303 V326 T328	C99-V101 PolarHBondContact O-N 2.02Å; C99-V101 PolarHBondContact SG-N 3.37Å; C99-R106 VanDerWaalsContact SG-CZ 3.53Å; C99-R106 PolarHBondContact SG-NH2 3.11Å; C99-R106 VanDerWaalsContact SG-NH2 3.43Å; C99-C112 WeakPolarHBondContact CA-SG 3.33Å; C99-C112 HydrophobicContact CB-CB 3.84Å; C99-C112 WeakPolarHBondContact CB-SG 3.5Å; C99-C112 WeakPolarHBondContact SG-CA 2.98Å; C99-C112 WeakPolarHBondContact SG-CB 3.24Å; C99-C112 CovalentContact SG-SG 2.03Å; C99-C112 PolarHBondContact SG-SG 2.77Å; C99-H299 PolarHBondContact O-NE2 3.1Å; C99-L303 WeakPolarHBondContact O-CD1 3.27Å; C99-V326 HydrophobicContact CB-CG1 3.8Å; C99-T328 HydrophobicContact CB-CG2 3.82Å
100	E	96.9	Very high	95.4	Very high	137 Å²	137	35.3 Å²	35.3	64%	0.64	18%	0.184	S	C	*	.	S	Bend	trans	-66	-16.4	-179.4	-63.8	-177.6	172.7	0	0	113.8	G98 L296 H299 I300	G98-E100 PolarHBondContact O-N 2.92Å; E100-L296 WeakPolarHBondContact O-CD1 3.45Å; E100-H299 PolarHBondContact O-CD2 3.1Å; E100-H299 VanDerWaalsContact O-CD2 3.29Å; E100-I300 HydrophobicContact CB-CD1 4Å; E100-I300 HydrophobicContact CG-CD1 4.19Å
101	V	97.4	Very high	95.1	Very high	21 Å²	21	35 Å²	35	13%	0.127	18%	0.183	C	C	.	.	S	Bend	trans	-87.9	122	178.5	-170.7	0	0	0	0	109.9	C99 D105 R106 L114	C99-V101 PolarHBondContact O-N 2.02Å; C99-V101 PolarHBondContact SG-N 3.37Å; V101-D105 HydrophobicContact CG1-CB 4.1Å; V101-R106 HydrophobicContact CB-CG 4.04Å; V101-R106 HydrophobicContact CG1-CG 3.65Å; V101-R106 PolarHBondContact O-NE 2.81Å; V101-R106 PolarHBondContact O-NH2 2.62Å; V101-L114 HydrophobicContact CG1-CB 4.46Å; V101-L114 HydrophobicContact CG1-CD1 3.82Å; V101-L114 HydrophobicContact CG2-CB 4.43Å
102	P	96.5	Very high	95	Very high	4 Å²	4	36 Å²	36	3%	0.026	19%	0.191	C	C	.	.			trans	-54.7	146.7	170.8	-22.1	31.2	0	0	0	111.4	E104 D105 R106 R295 H299	P102-E104 PolarHBondContact O-N 3.02Å; P102-D105 HydrophobicContact CB-CB 4.38Å; P102-D105 PolarHBondContact O-N 3.33Å; P102-R106 WeakPolarHBondContact O-CG 3.25Å; P102-R106 PolarHBondContact O-N 2.88Å; P102-R295 HydrophobicContact CG-CB 4.41Å; P102-H299 HydrophobicContact CB-CB 4.33Å; P102-H299 HydrophobicContact CG-CB 3.77Å
103	V	93.9	Very high	94.7	Very high	76 Å²	76	41.9 Å²	41.9	46%	0.461	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-58.7	-38.2	-173.3	175.5	0	0	0	0	112	D105 R106 P109	V103-D105 PolarHBondContact O-N 3.07Å; V103-R106 PolarHBondContact O-N 3.5Å; V103-P109 HydrophobicContact CG1-CB 4.08Å
104	E	92.6	Very high	94.4	Very high	127 Å²	127	46.4 Å²	46.4	59%	0.593	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-69.6	-16.5	-180	-53	91.7	148	0	0	113.4	P102	P102-E104 PolarHBondContact O-N 3.02Å
105	D	94.4	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-107.2	8.8	-179.1	-69.9	-54.5	0	0	0	112.2	V101 P102 V103 L114 L115 R292 R295	V101-D105 HydrophobicContact CG1-CB 4.1Å; P102-D105 HydrophobicContact CB-CB 4.38Å; P102-D105 PolarHBondContact O-N 3.33Å; V103-D105 PolarHBondContact O-N 3.07Å; D105-L114 HydrophobicContact CB-CD1 4.25Å; D105-L115 WeakPolarHBondContact O-CB 3.25Å; D105-L115 PolarHBondContact O-N 3.26Å; D105-R292 IonicContact OD1-CZ 3.48Å; D105-R292 IonicContact OD1-NE 2.75Å; D105-R292 PolarHBondContact OD1-NE 2.74Å; D105-R292 IonicContact OD1-NH2 3.66Å; D105-R292 PolarHBondContact OD1-NH2 2.62Å; D105-R292 VanDerWaalsContact OD1-NH2 3.1Å; D105-R295 IonicContact OD1-CZ 2.91Å; D105-R295 IonicContact OD1-NE 3.25Å; D105-R295 IonicContact OD1-NH2 3.62Å; D105-R295 PolarHBondContact OD1-NH2 3.01Å; D105-R295 IonicContact OD2-CZ 2.77Å; D105-R295 IonicContact OD2-NE 2.94Å; D105-R295 PolarHBondContact OD2-NE 3.32Å; D105-R295 IonicContact OD2-NH2 3.88Å; D105-R295 PolarHBondContact OD2-NH2 3.14Å
106	R	93.4	Very high	93.7	Very high	28 Å²	28	52.3 Å²	52.3	11%	0.106	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-88.3	151.2	177.6	-65.5	167.9	-171.2	-172.3	10.8	112.1	C99 V101 P102 V103 D108 S111 K113	C99-R106 VanDerWaalsContact SG-CZ 3.53Å; C99-R106 PolarHBondContact SG-NH2 3.11Å; C99-R106 VanDerWaalsContact SG-NH2 3.43Å; V101-R106 HydrophobicContact CB-CG 4.04Å; V101-R106 HydrophobicContact CG1-CG 3.65Å; V101-R106 PolarHBondContact O-NE 2.81Å; V101-R106 PolarHBondContact O-NH2 2.62Å; P102-R106 WeakPolarHBondContact O-CG 3.25Å; P102-R106 PolarHBondContact O-N 2.88Å; V103-R106 PolarHBondContact O-N 3.5Å; R106-D108 WeakPolarHBondContact CB-O 3.35Å; R106-D108 PolarHBondContact O-N 3.09Å; R106-S111 VanDerWaalsContact CD-O 3.24Å; R106-S111 WeakPolarHBondContact CD-O 3.28Å; R106-S111 PolarHBondContact NH1-O 3.34Å; R106-K113 CarbonylContact C-O 3.51Å; R106-K113 WeakPolarHBondContact CA-O 3.47Å
107	E	88.6	Confident	93.5	Very high	20 Å²	20	50.9 Å²	50.9	9%	0.093	26%	0.26	C	S	.	.	S	Bend	trans	-64	-32.2	171	-177.3	173.1	150.2	0	0	112	K113 L152 R251	E107-K113 HydrophobicContact CB-CB 4.23Å; E107-K113 PolarHBondContact N-O 2.63Å; E107-L152 HydrophobicContact CG-CD2 4.02Å; E107-R251 IonicContact OE1-CZ 3.82Å; E107-R251 IonicContact OE1-NH1 2.68Å; E107-R251 PolarHBondContact OE1-NH1 2.93Å; E107-R251 IonicContact OE1-NH2 3.48Å; E107-R251 PolarHBondContact OE1-NH2 2.97Å; E107-R251 IonicContact OE2-CZ 3.63Å; E107-R251 IonicContact OE2-NH1 3.19Å; E107-R251 PolarHBondContact OE2-NH1 2.91Å; E107-R251 IonicContact OE2-NH2 3.94Å; E107-R251 PolarHBondContact OE2-NH2 2.67Å
108	D	86.1	Confident	92.8	Very high	18 Å²	18	50.9 Å²	50.9	10%	0.096	27%	0.267	C	S	.	.	S	Bend	trans	-146.3	146.7	167.3	72.2	96.4	0	0	0	108.9	R106 Y110 S111 R330	R106-D108 WeakPolarHBondContact CB-O 3.35Å; R106-D108 PolarHBondContact O-N 3.09Å; D108-Y110 PolarHBondContact O-N 2.89Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.17Å; D108-Y110 VanDerWaalsContact OD1-CB 3.29Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.46Å; D108-Y110 PolarHBondContact OD1-N 3.36Å; D108-S111 PolarHBondContact O-N 3.44Å; D108-S111 PolarHBondContact OD1-N 2.91Å; D108-S111 WeakPolarHBondContact OD2-CB 3.06Å; D108-S111 PolarHBondContact OD2-OG 3.03Å; D108-R330 IonicContact OD1-NE 2.8Å
109	P	90.6	Very high	92.3	Very high	60 Å²	60	56.1 Å²	56.1	39%	0.39	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.5	-175	24.8	-34.3	0	0	0	113.6	V103	V103-P109 HydrophobicContact CG1-CB 4.08Å
110	Y	91.8	Very high	91.9	Very high	75 Å²	75	56.5 Å²	56.5	29%	0.294	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-14.8	-173.5	-52.3	-64.2	0	0	0	113.6	D108 T328 Y329 R330 K396	D108-Y110 PolarHBondContact O-N 2.89Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.17Å; D108-Y110 VanDerWaalsContact OD1-CB 3.29Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.46Å; D108-Y110 PolarHBondContact OD1-N 3.36Å; Y110-T328 WeakPolarHBondContact O-CB 3.47Å; Y110-Y329 HydrophobicContact CD1-CD1 4.25Å; Y110-Y329 HydrophobicContact CD1-CG 4.28Å; Y110-Y329 HydrophobicContact CG-CD1 4.24Å; Y110-Y329 PolarHBondContact O-N 3.1Å; Y110-R330 WeakPolarHBondContact O-CG 3.46Å; Y110-R330 PolarHBondContact O-N 2.88Å; Y110-K396 HydrophobicContact CD1-CG 4.32Å; Y110-K396 HydrophobicContact CD2-CG 4.37Å; Y110-K396 HydrophobicContact CE1-CB 4.44Å; Y110-K396 HydrophobicContact CE1-CD 3.92Å; Y110-K396 HydrophobicContact CE1-CG 3.78Å; Y110-K396 HydrophobicContact CE2-CB 3.73Å; Y110-K396 HydrophobicContact CE2-CG 3.82Å; Y110-K396 VanDerWaalsContact CZ-CG 3.5Å
111	S	92	Very high	91.5	Very high	7 Å²	7	52 Å²	52	5%	0.049	28%	0.276	C	S	.	.	S	Bend	trans	-104.7	-171.3	178.6	79.8	0	0	0	0	112.6	R106 D108 K113	R106-S111 VanDerWaalsContact CD-O 3.24Å; R106-S111 WeakPolarHBondContact CD-O 3.28Å; R106-S111 PolarHBondContact NH1-O 3.34Å; D108-S111 PolarHBondContact O-N 3.44Å; D108-S111 PolarHBondContact OD1-N 2.91Å; D108-S111 WeakPolarHBondContact OD2-CB 3.06Å; D108-S111 PolarHBondContact OD2-OG 3.03Å; S111-K113 PolarHBondContact OG-N 2.95Å
112	C	95.3	Very high	91.1	Very high	42 Å²	42	52.9 Å²	52.9	28%	0.284	28%	0.279	S	S	.	.			trans	-123	37.6	171.6	-163.3	0	0	0	0	111.2	C99 V326 T328	C99-C112 WeakPolarHBondContact CA-SG 3.33Å; C99-C112 HydrophobicContact CB-CB 3.84Å; C99-C112 WeakPolarHBondContact CB-SG 3.5Å; C99-C112 WeakPolarHBondContact SG-CA 2.98Å; C99-C112 WeakPolarHBondContact SG-CB 3.24Å; C99-C112 CovalentContact SG-SG 2.03Å; C99-C112 PolarHBondContact SG-SG 2.77Å; C112-V326 HydrophobicContact CB-CG1 4.06Å; C112-T328 HydrophobicContact CB-CG2 3.95Å
113	K	92.9	Very high	90.5	Very high	125 Å²	125	59.4 Å²	59.4	54%	0.543	31%	0.314	S	S	.	.			trans	-100.3	128.3	-179.5	-61.9	179.2	-179.1	177.9	0	109.2	R106 E107 S111	R106-K113 CarbonylContact C-O 3.51Å; R106-K113 WeakPolarHBondContact CA-O 3.47Å; E107-K113 HydrophobicContact CB-CB 4.23Å; E107-K113 PolarHBondContact N-O 2.63Å; S111-K113 PolarHBondContact OG-N 2.95Å
114	L	93.5	Very high	90.2	Very high	94 Å²	94	61.9 Å²	61.9	49%	0.492	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-68.4	134.3	177.7	-177	72.6	0	0	0	111.1	V101 D105 N116	V101-L114 HydrophobicContact CG1-CB 4.46Å; V101-L114 HydrophobicContact CG1-CD1 3.82Å; V101-L114 HydrophobicContact CG2-CB 4.43Å; D105-L114 HydrophobicContact CB-CD1 4.25Å; L114-N116 PolarHBondContact O-N 3.49Å; L114-N116 VanDerWaalsContact O-N 3.16Å
115	L	91.4	Very high	90.2	Very high	13 Å²	13	61.6 Å²	61.6	7%	0.068	32%	0.319	C	S	.	.			trans	-67.2	107.3	171.7	-178.2	62.1	0	0	0	110.3	D105 I117 L152 R292	D105-L115 WeakPolarHBondContact O-CB 3.25Å; D105-L115 PolarHBondContact O-N 3.26Å; L115-I117 HydrophobicContact CD1-CD1 3.86Å; L115-I117 HydrophobicContact CD1-CG1 4.07Å; L115-I117 HydrophobicContact CD2-CD1 3.84Å; L115-I117 HydrophobicContact CD2-CG1 4.43Å; L115-I117 HydrophobicContact CG-CD1 3.82Å; L115-I117 HydrophobicContact CG-CG1 3.93Å; L115-I117 PolarHBondContact O-N 3.05Å; L115-L152 HydrophobicContact CD1-CB 4.02Å; L115-R292 PolarHBondContact O-NH1 3.06Å
116	N	90.5	Very high	90.1	Very high	112 Å²	112	61.8 Å²	61.8	60%	0.599	32%	0.32	S	S	*	.			trans	-82	57.6	-174.2	-166.2	24.6	0	0	0	113.2	L114	L114-N116 PolarHBondContact O-N 3.49Å; L114-N116 VanDerWaalsContact O-N 3.16Å
117	I	92.1	Very high	90	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.324	C	S	.	.			trans	-109.4	129	171.7	-58.6	174.4	0	0	0	108.1	L115 G247 G248 V249 L285 L289 R292	L115-I117 HydrophobicContact CD1-CD1 3.86Å; L115-I117 HydrophobicContact CD1-CG1 4.07Å; L115-I117 HydrophobicContact CD2-CD1 3.84Å; L115-I117 HydrophobicContact CD2-CG1 4.43Å; L115-I117 HydrophobicContact CG-CD1 3.82Å; L115-I117 HydrophobicContact CG-CG1 3.93Å; L115-I117 PolarHBondContact O-N 3.05Å; I117-G247 WeakPolarHBondContact CA-O 3.12Å; I117-G247 WeakPolarHBondContact CG2-O 3.39Å; I117-G248 WeakPolarHBondContact CG1-O 3.37Å; I117-V249 HydrophobicContact CD1-CG1 4.21Å; I117-V249 HydrophobicContact CG2-CG1 4.37Å; I117-L285 HydrophobicContact CD1-CD1 4.36Å; I117-L285 HydrophobicContact CG2-CD1 4.33Å; I117-L285 HydrophobicContact CG2-CD2 4.09Å; I117-L285 HydrophobicContact CG2-CG 4.5Å; I117-L289 HydrophobicContact CB-CD2 4.36Å; I117-L289 HydrophobicContact CG2-CD1 3.86Å; I117-L289 HydrophobicContact CG2-CD2 4.42Å; I117-L289 WeakPolarHBondContact O-CD2 3.01Å; I117-R292 PolarHBondContact O-NH1 2.93Å
118	T	82.9	Confident	90.1	Very high	89 Å²	89	61.6 Å²	61.6	55%	0.546	32%	0.32	S	S	.	.			trans	-127.8	-44	-176.9	51.7	0	0	0	0	114	G247	T118-G247 PolarHBondContact N-O 3.48Å
119	N	86.8	Confident	90.3	Very high	125 Å²	125	60.8 Å²	60.8	67%	0.668	32%	0.316	S	S	*	.			trans	-135.3	77.6	-174.2	-65.6	-57.7	0	0	0	110.7	V121 G247	N119-V121 PolarHBondContact O-N 2.9Å; N119-G247 WeakPolarHBondContact O-CA 3.22Å
120	P	89.1	Confident	89.9	Confident	13 Å²	13	60 Å²	60	8%	0.084	31%	0.312	C	S	.	.			trans	-64	135.5	-179.4	27.6	-34.5	0	0	0	111	L122 G246 I279 L285 L286 L289	P120-L122 HydrophobicContact CB-CD2 4.15Å; P120-L122 HydrophobicContact CG-CD2 4.19Å; P120-L122 PolarHBondContact O-N 3.3Å; P120-G246 WeakPolarHBondContact CA-O 3.39Å; P120-I279 HydrophobicContact CB-CD1 3.81Å; P120-L285 HydrophobicContact CB-CD2 3.65Å; P120-L285 HydrophobicContact CB-CG 4.33Å; P120-L285 HydrophobicContact CG-CD2 4.07Å; P120-L285 HydrophobicContact CG-CG 4.2Å; P120-L286 HydrophobicContact CG-CB 4.47Å; P120-L286 HydrophobicContact CG-CD1 4.4Å; P120-L289 HydrophobicContact CG-CD1 3.96Å
121	V	89	Confident	89.1	Confident	43 Å²	43	58.7 Å²	58.7	26%	0.261	31%	0.31	S	S	.	.			trans	-80.5	108.3	175.7	178.2	0	0	0	0	109.3	N119 Q124 I126 G246 I279	N119-V121 PolarHBondContact O-N 2.9Å; V121-Q124 HydrophobicContact CG1-CB 4.09Å; V121-I126 HydrophobicContact CB-CD1 3.74Å; V121-I126 HydrophobicContact CB-CG1 4.09Å; V121-I126 HydrophobicContact CG1-CD1 4.1Å; V121-I126 HydrophobicContact CG1-CG1 3.91Å; V121-G246 PolarHBondContact N-O 3Å; V121-I279 WeakPolarHBondContact O-CD1 3.39Å
122	L	88.8	Confident	87.9	Confident	38 Å²	38	61.3 Å²	61.3	20%	0.199	33%	0.328	C	S	.	.			trans	-92.1	142.9	-171.8	-56.9	-174.3	0	0	0	113.2	P120 Q124 G282 L286	P120-L122 HydrophobicContact CB-CD2 4.15Å; P120-L122 HydrophobicContact CG-CD2 4.19Å; P120-L122 PolarHBondContact O-N 3.3Å; L122-Q124 WeakPolarHBondContact O-CG 3.38Å; L122-Q124 PolarHBondContact O-N 3.39Å; L122-G282 VanDerWaalsContact CD2-O 3.29Å; L122-G282 WeakPolarHBondContact CD2-O 3.49Å; L122-L286 HydrophobicContact CD1-CB 4.31Å; L122-L286 HydrophobicContact CD1-CD2 3.74Å
123	N	84.4	Confident	86.3	Confident	142 Å²	142	67.3 Å²	67.3	76%	0.759	35%	0.352	S	S	*	.	S	Bend	trans	52.4	30	168.8	-60.4	-42.9	0	0	0	114.4
124	Q	88.6	Confident	84.4	Confident	128 Å²	128	68.6 Å²	68.6	60%	0.598	37%	0.365	S	S	*	.	S	Bend	trans	-137.7	149.1	-179.1	-69.1	175.5	27.6	0	0	109.9	V121 L122	V121-Q124 HydrophobicContact CG1-CB 4.09Å; L122-Q124 WeakPolarHBondContact O-CG 3.38Å; L122-Q124 PolarHBondContact O-N 3.39Å
125	E	91.1	Very high	82.5	Confident	121 Å²	121	65.8 Å²	65.8	57%	0.565	35%	0.353	S	S	*	.			trans	-75.9	135.6	169.4	-75.4	-164.7	136.6	0	0	110.2	T158 I276 T278	E125-T158 PolarHBondContact OE1-OG1 3.04Å; E125-I276 HydrophobicContact CB-CG2 3.58Å; E125-I276 HydrophobicContact CG-CG2 3.94Å; E125-T278 HydrophobicContact CG-CG2 3.93Å
126	I	92.6	Very high	80.6	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.1	-174.8	-54.3	164.9	0	0	0	108.4	V121 A128 N244 I276 Y277 I279	V121-I126 HydrophobicContact CB-CD1 3.74Å; V121-I126 HydrophobicContact CB-CG1 4.09Å; V121-I126 HydrophobicContact CG1-CD1 4.1Å; V121-I126 HydrophobicContact CG1-CG1 3.91Å; I126-A128 PolarHBondContact O-N 3.03Å; I126-N244 HydrophobicContact CG2-CB 4.09Å; I126-N244 VanDerWaalsContact CG2-CG 3.45Å; I126-N244 WeakPolarHBondContact CG2-ND2 3.5Å; I126-I276 VanDerWaalsContact O-CA 3.3Å; I126-I276 WeakPolarHBondContact O-CA 3.42Å; I126-Y277 HydrophobicContact CB-CD1 4.18Å; I126-Y277 HydrophobicContact CB-CE1 3.81Å; I126-Y277 HydrophobicContact CB-CE2 4.26Å; I126-Y277 HydrophobicContact CD1-CD2 4.31Å; I126-Y277 HydrophobicContact CD1-CE2 3.72Å; I126-Y277 HydrophobicContact CG2-CD1 4.48Å; I126-Y277 HydrophobicContact CG2-CE1 3.67Å; I126-Y277 HydrophobicContact CG2-CE2 4.5Å; I126-Y277 PolarHBondContact N-O 3.41Å; I126-Y277 WeakPolarHBondContact O-CD1 3.27Å; I126-Y277 PolarHBondContact O-N 3.21Å; I126-I279 HydrophobicContact CD1-CD1 4.22Å; I126-I279 HydrophobicContact CD1-CG1 3.99Å
127	E	92.1	Very high	78.7	Confident	43 Å²	43	67.8 Å²	67.8	20%	0.201	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	108.2	169.6	-64.7	-169.9	-110.3	0	0	109.4	F129 N203 Y207 N244 I276	E127-F129 PolarHBondContact O-N 3.41Å; E127-N203 PolarHBondContact OE1-ND2 3.1Å; E127-Y207 WeakPolarHBondContact OE2-CE2 3.33Å; E127-Y207 PolarHBondContact OE2-OH 3.38Å; E127-N244 VanDerWaalsContact O-CB 3.31Å; E127-N244 WeakPolarHBondContact O-CB 3.28Å; E127-I276 HydrophobicContact CG-CG1 4.27Å
128	A	91.4	Very high	77	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.008	41%	0.412	C	S	.	.	S	Bend	trans	-60.6	-31.1	-174.7	0	0	0	0	0	113.6	I126 V243 N244 F275 Y277	I126-A128 PolarHBondContact O-N 3.03Å; A128-V243 WeakPolarHBondContact O-CA 3.38Å; A128-N244 PolarHBondContact O-N 2.83Å; A128-F275 HydrophobicContact CB-CD1 3.84Å; A128-F275 HydrophobicContact CB-CD2 3.98Å; A128-F275 HydrophobicContact CB-CE1 3.59Å; A128-F275 HydrophobicContact CB-CE2 3.72Å; A128-F275 HydrophobicContact CB-CG 4.06Å; A128-F275 HydrophobicContact CB-CZ 3.53Å; A128-F275 WeakPolarHBondContact CB-O 3.37Å; A128-F275 PolarHBondContact N-O 3.36Å; A128-Y277 HydrophobicContact CB-CD1 4.12Å; A128-Y277 HydrophobicContact CB-CE1 3.83Å
129	F	89.8	Confident	76.1	Confident	1 Å²	1	70.9 Å²	70.9	0%	0.004	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.3	-178.6	-60.6	-73.6	0	0	0	110.1	E127 V147 L238 V241 V243 V252 V271 F275	E127-F129 PolarHBondContact O-N 3.41Å; F129-V147 HydrophobicContact CE2-CG1 4.12Å; F129-V147 HydrophobicContact CZ-CG1 3.95Å; F129-V147 HydrophobicContact CZ-CG2 4.09Å; F129-L238 HydrophobicContact CE1-CD1 3.94Å; F129-V241 HydrophobicContact CB-CG1 3.85Å; F129-V241 HydrophobicContact CD1-CG1 3.84Å; F129-V241 HydrophobicContact CG-CG1 4.29Å; F129-V243 HydrophobicContact CD1-CG2 4.06Å; F129-V243 HydrophobicContact CE1-CG1 4.5Å; F129-V243 HydrophobicContact CE1-CG2 3.92Å; F129-V252 HydrophobicContact CE1-CG2 4.01Å; F129-V252 HydrophobicContact CZ-CG2 4.01Å; F129-V271 HydrophobicContact CB-CG1 4.25Å; F129-V271 HydrophobicContact CD1-CG1 4.31Å; F129-V271 HydrophobicContact CD1-CG2 4.16Å; F129-V271 HydrophobicContact CD2-CG1 4.22Å; F129-V271 HydrophobicContact CE1-CG2 4.05Å; F129-V271 HydrophobicContact CG-CG1 4.01Å; F129-V271 HydrophobicContact CZ-CG2 4.42Å; F129-F275 HydrophobicContact CD2-CD1 4.32Å; F129-F275 HydrophobicContact CD2-CE1 4.35Å; F129-F275 AromaticContact CE2-CD1 3.95Å; F129-F275 HydrophobicContact CE2-CD1 3.95Å; F129-F275 AromaticContact CE2-CE1 3.66Å; F129-F275 HydrophobicContact CE2-CE1 3.66Å; F129-F275 HydrophobicContact CZ-CE1 4.45Å
130	S	82.1	Confident	75.3	Confident	44 Å²	44	67.4 Å²	67.4	31%	0.308	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.9	175.8	60.7	0	0	0	0	111.8	T242	S130-T242 PolarHBondContact N-O 2.86Å; S130-T242 PolarHBondContact O-N 2.81Å
131	L	75.6	Confident	74.6	Confident	48 Å²	48	71.8 Å²	71.8	25%	0.251	41%	0.412	S	S	.	.			trans	-94.4	123.2	-179.7	-67.5	173.2	0	0	0	110.4	F163 K204 R236	L131-F163 HydrophobicContact CD1-CD1 3.77Å; L131-F163 HydrophobicContact CD1-CE1 3.75Å; L131-F163 HydrophobicContact CD1-CG 4.39Å; L131-F163 HydrophobicContact CD1-CZ 4.35Å; L131-F163 HydrophobicContact CD2-CE1 3.9Å; L131-F163 HydrophobicContact CD2-CE2 4.06Å; L131-F163 HydrophobicContact CD2-CZ 3.66Å; L131-F163 HydrophobicContact CG-CD1 4.25Å; L131-F163 HydrophobicContact CG-CE1 3.7Å; L131-F163 HydrophobicContact CG-CZ 4Å; L131-K204 HydrophobicContact CD1-CB 3.95Å; L131-K204 HydrophobicContact CD1-CD 4.32Å; L131-R236 HydrophobicContact CD2-CG 4.07Å
132	S	66.9	Low	74.2	Confident	62 Å²	62	71.2 Å²	71.2	43%	0.434	41%	0.407	S	S	.	.			trans	-69.7	135.8	170.8	-179.7	0	0	0	0	111.1	D134 S135	S132-D134 VanDerWaalsContact C-N 3.25Å; S132-D134 PolarHBondContact O-N 3.42Å; S132-S135 PolarHBondContact O-OG 2.94Å
133	E	59.7	Low	74	Confident	168 Å²	168	76.8 Å²	76.8	79%	0.785	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.5	-173.2	-64.7	-167.3	150.2	0	0	114.4
134	D	53.8	Low	74.1	Confident	152 Å²	152	71.6 Å²	71.6	81%	0.813	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	0.4	-171.4	-75.4	-29.2	0	0	0	115.5	S132 S136	S132-D134 VanDerWaalsContact C-N 3.25Å; S132-D134 PolarHBondContact O-N 3.42Å; D134-S136 PolarHBondContact O-N 3.39Å; D134-S136 VanDerWaalsContact O-N 3.12Å
135	S	53.7	Low	74.1	Confident	35 Å²	35	65.5 Å²	65.5	25%	0.245	37%	0.369	C	S	.	.			trans	-91.2	76.2	-171.5	63.2	0	0	0	0	113.6	S132 S137 R236	S132-S135 PolarHBondContact O-OG 2.94Å; S135-S137 PolarHBondContact O-N 2.98Å; S135-S137 VanDerWaalsContact O-N 3.12Å; S135-R236 PolarHBondContact O-NH2 3.29Å
136	S	51.8	Low	74	Confident	124 Å²	124	60.9 Å²	60.9	87%	0.867	35%	0.35	S	S	*	.			trans	-68.3	5.1	171.3	57.1	0	0	0	0	115.1	D134	D134-S136 PolarHBondContact O-N 3.39Å; D134-S136 VanDerWaalsContact O-N 3.12Å
137	S	50.2	Low	73.7	Confident	43 Å²	43	60.9 Å²	60.9	30%	0.301	35%	0.35	S	S	.	.	S	Bend	trans	-66.4	140.7	177.5	58.4	0	0	0	0	111.6	S135 R236	S135-S137 PolarHBondContact O-N 2.98Å; S135-S137 VanDerWaalsContact O-N 3.12Å; S137-R236 PolarHBondContact O-NH1 3.47Å; S137-R236 PolarHBondContact O-NH2 3.05Å
138	G	57.5	Low	73.5	Confident	72 Å²	72	59.8 Å²	59.8	74%	0.742	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-52.9	135.9	-164.8	0	0	0	0	0	115.3	R236	G138-R236 PolarHBondContact O-NH1 3.06Å
139	L	62.9	Low	73.3	Confident	82 Å²	82	59.8 Å²	59.8	43%	0.429	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-71.3	129	167.6	-58.2	160.4	0	0	0	106.5	V234	L139-V234 HydrophobicContact CB-CG1 4.22Å; L139-V234 HydrophobicContact CD1-CG1 3.9Å; L139-V234 HydrophobicContact CD2-CG1 3.36Å; L139-V234 HydrophobicContact CG-CG1 3.99Å
140	S	69.8	Low	73.3	Confident	53 Å²	53	60.8 Å²	60.8	37%	0.371	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.2	167.3	-167.5	0	0	0	0	108.4	D142 S235	S140-D142 WeakPolarHBondContact CB-OD2 3.37Å; S140-D142 VanDerWaalsContact OG-CG 3.31Å; S140-D142 PolarHBondContact OG-OD1 2.85Å; S140-D142 PolarHBondContact OG-OD2 3.33Å; S140-S235 WeakPolarHBondContact CB-OG 3.48Å; S140-S235 PolarHBondContact O-N 3.2Å
141	E	74.7	Confident	73.7	Confident	104 Å²	104	58.7 Å²	58.7	49%	0.486	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	68.8	171.4	-69.7	-152.6	147.4	0	0	109.6	R173 L233	E141-R173 IonicContact OE1-CZ 2.74Å; E141-R173 IonicContact OE1-NH1 3.36Å; E141-R173 IonicContact OE1-NH2 3.21Å; E141-R173 PolarHBondContact OE1-NH2 2.81Å; E141-L233 WeakPolarHBondContact CA-O 3Å
142	D	81.1	Confident	74.4	Confident	32 Å²	32	56.7 Å²	56.7	17%	0.171	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.7	178.2	-53.4	-46.6	0	0	0	110.1	S140 V145 L233 S235 V268	S140-D142 WeakPolarHBondContact CB-OD2 3.37Å; S140-D142 VanDerWaalsContact OG-CG 3.31Å; S140-D142 PolarHBondContact OG-OD1 2.85Å; S140-D142 PolarHBondContact OG-OD2 3.33Å; D142-V145 HydrophobicContact CB-CG2 3.64Å; D142-L233 WeakPolarHBondContact O-CA 3.22Å; D142-L233 WeakPolarHBondContact O-CB 3.22Å; D142-L233 WeakPolarHBondContact O-CG 3.42Å; D142-L233 PolarHBondContact O-N 2.71Å; D142-S235 PolarHBondContact OD2-OG 2.94Å; D142-V268 HydrophobicContact CB-CB 4.36Å; D142-V268 HydrophobicContact CB-CG2 4.15Å
143	R	84	Confident	75.7	Confident	155 Å²	155	55.8 Å²	55.8	59%	0.585	31%	0.313	S	S	*	.	S	Bend	trans	-75.9	-35.5	-178.3	-72.3	-174.8	174.6	-177.4	-1.9	113.5	S227 L233	R143-S227 PolarHBondContact O-N 3.07Å; R143-L233 WeakPolarHBondContact O-CD1 3.48Å
144	I	87.7	Confident	77.3	Confident	33 Å²	33	49.3 Å²	49.3	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.6	-178.6	-56.9	177.4	0	0	0	106.8	V224 W225 E226 E266 G267 V268	I144-V224 HydrophobicContact CG2-CG1 3.73Å; I144-W225 WeakPolarHBondContact CA-O 3.43Å; I144-E226 HydrophobicContact CG1-CG 4.33Å; I144-E226 HydrophobicContact CG2-CG 4.42Å; I144-E266 HydrophobicContact CD1-CB 4.01Å; I144-G267 WeakPolarHBondContact O-CA 3.32Å; I144-V268 PolarHBondContact O-N 3.38Å
145	V	88	Confident	79.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.8	179.2	175.7	0	0	0	0	107.8	D142 V224 W225 L233 V268 G270 A272	D142-V145 HydrophobicContact CB-CG2 3.64Å; V145-V224 WeakPolarHBondContact O-CA 3.15Å; V145-W225 HydrophobicContact CG1-CE3 4.26Å; V145-W225 PolarHBondContact N-O 3.46Å; V145-W225 PolarHBondContact O-N 2.92Å; V145-L233 HydrophobicContact CB-CD1 4.07Å; V145-L233 HydrophobicContact CG2-CB 4.47Å; V145-L233 HydrophobicContact CG2-CD1 3.89Å; V145-V268 WeakPolarHBondContact CA-O 3.41Å; V145-G270 WeakPolarHBondContact CG1-O 3.36Å; V145-A272 HydrophobicContact CB-CB 3.96Å; V145-A272 HydrophobicContact CG1-CB 4.06Å; V145-A272 HydrophobicContact CG2-CB 4.25Å
146	S	87.6	Confident	81.3	Confident	24 Å²	24	40.9 Å²	40.9	17%	0.168	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.2	-178.6	59.1	0	0	0	0	113.5	I223 V268 G270	S146-I223 WeakPolarHBondContact CA-O 3.38Å; S146-I223 WeakPolarHBondContact CB-O 3.33Å; S146-V268 PolarHBondContact N-O 2.73Å; S146-G270 CarbonylContact C-O 3.54Å; S146-G270 PolarHBondContact O-N 3.14Å; S146-G270 VanDerWaalsContact O-O 3.1Å
147	V	87.8	Confident	83.3	Confident	3 Å²	3	35 Å²	35	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.8	172.4	68.7	0	0	0	0	109.8	F129 T222 I223 W225 L238 V252	F129-V147 HydrophobicContact CE2-CG1 4.12Å; F129-V147 HydrophobicContact CZ-CG1 3.95Å; F129-V147 HydrophobicContact CZ-CG2 4.09Å; V147-T222 WeakPolarHBondContact O-CA 3.39Å; V147-I223 HydrophobicContact CG1-CB 4.24Å; V147-I223 PolarHBondContact N-O 2.96Å; V147-I223 PolarHBondContact O-N 2.99Å; V147-W225 HydrophobicContact CB-CZ3 4.31Å; V147-W225 HydrophobicContact CG1-CH2 3.63Å; V147-W225 HydrophobicContact CG1-CZ3 3.61Å; V147-L238 HydrophobicContact CG2-CD1 4.13Å; V147-L238 HydrophobicContact CG2-CD2 4.15Å; V147-V252 HydrophobicContact CG2-CG1 3.4Å
148	S	86.8	Confident	85.3	Confident	20 Å²	20	33.4 Å²	33.4	14%	0.14	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	148.5	175.6	-57.8	0	0	0	0	110.2	G221 T222 V252 I253	S148-G221 CarbonylContact C-O 3.55Å; S148-G221 VanDerWaalsContact CA-O 3.28Å; S148-G221 WeakPolarHBondContact CA-O 3.09Å; S148-T222 PolarHBondContact OG-OG1 3.35Å; S148-V252 WeakPolarHBondContact O-CG1 3.29Å; S148-I253 PolarHBondContact O-N 2.79Å
149	F	88.4	Confident	87.1	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.3	177	68.2	-81.5	0	0	0	110.7	V151 I157 L179 L215 F219 E220 G221 I223 R251 F275	F149-V151 HydrophobicContact CD2-CG2 4.21Å; F149-V151 HydrophobicContact CE2-CG2 3.84Å; F149-I157 HydrophobicContact CZ-CD1 4.14Å; F149-L179 HydrophobicContact CE1-CD1 3.62Å; F149-L179 HydrophobicContact CZ-CD1 3.87Å; F149-L215 HydrophobicContact CE2-CD1 4.33Å; F149-L215 HydrophobicContact CZ-CD1 4.29Å; F149-F219 HydrophobicContact CE2-CD1 4.48Å; F149-F219 HydrophobicContact CZ-CE1 4.27Å; F149-E220 WeakPolarHBondContact O-CA 3.3Å; F149-G221 WeakPolarHBondContact CD1-O 3.22Å; F149-G221 PolarHBondContact N-O 2.83Å; F149-G221 PolarHBondContact O-N 3.3Å; F149-I223 HydrophobicContact CD1-CD1 4.48Å; F149-I223 HydrophobicContact CE1-CD1 3.91Å; F149-I223 HydrophobicContact CE1-CG1 3.94Å; F149-R251 CarbonylContact C-O 3.59Å; F149-R251 WeakPolarHBondContact CA-O 3.29Å; F149-R251 WeakPolarHBondContact CB-O 3.25Å; F149-F275 HydrophobicContact CE2-CZ 4.5Å; F149-F275 HydrophobicContact CZ-CZ 4.5Å
150	R	88.4	Confident	88.6	Confident	21 Å²	21	26.9 Å²	26.9	8%	0.079	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.7	173.8	-176.4	171.7	176.5	161	-1.1	110.1	L152 S218 F219 E220 L250 R251 I253	R150-L152 HydrophobicContact CG-CD2 4.21Å; R150-S218 PolarHBondContact NH2-OG 2.91Å; R150-F219 CarbonylContact C-O 3.56Å; R150-F219 WeakPolarHBondContact CA-O 3.46Å; R150-E220 HydrophobicContact CB-CG 3.99Å; R150-E220 HydrophobicContact CG-CG 3.87Å; R150-E220 IonicContact NE-OE1 3.57Å; R150-E220 IonicContact NH1-OE1 3.55Å; R150-L250 CarbonylContact O-C 3.56Å; R150-L250 WeakPolarHBondContact O-CA 3.32Å; R150-L250 WeakPolarHBondContact O-CB 3.43Å; R150-R251 PolarHBondContact N-O 3.37Å; R150-R251 PolarHBondContact O-N 2.8Å; R150-I253 HydrophobicContact CB-CD1 4.18Å; R150-I253 HydrophobicContact CB-CG1 4.48Å
151	V	91.3	Very high	89.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.2	172.4	180	0	0	0	0	108.5	F149 Y153 I155 L215 P216 S218 F219	F149-V151 HydrophobicContact CD2-CG2 4.21Å; F149-V151 HydrophobicContact CE2-CG2 3.84Å; V151-Y153 WeakPolarHBondContact CG1-O 3.46Å; V151-I155 HydrophobicContact CG1-CG1 4.09Å; V151-I155 HydrophobicContact CG2-CD1 3.9Å; V151-I155 HydrophobicContact CG2-CG1 4Å; V151-L215 HydrophobicContact CG2-CB 4.12Å; V151-L215 HydrophobicContact CG2-CD1 4.48Å; V151-P216 WeakPolarHBondContact CG1-O 3.31Å; V151-S218 WeakPolarHBondContact O-CA 3.38Å; V151-S218 PolarHBondContact O-N 3.22Å; V151-F219 HydrophobicContact CB-CB 4.06Å; V151-F219 HydrophobicContact CG2-CB 4.04Å; V151-F219 HydrophobicContact CG2-CD1 3.92Å; V151-F219 HydrophobicContact CG2-CG 4.45Å; V151-F219 PolarHBondContact N-O 2.91Å
152	L	91.4	Very high	90.4	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.031	9%	0.094	C	C	.	.	S	Bend	trans	-100.6	-15.6	178	-60.8	-177.7	0	0	0	112.2	E107 L115 R150 G248 V249 R251	E107-L152 HydrophobicContact CG-CD2 4.02Å; L115-L152 HydrophobicContact CD1-CB 4.02Å; R150-L152 HydrophobicContact CG-CD2 4.21Å; L152-G248 WeakPolarHBondContact CD1-O 3.38Å; L152-V249 WeakPolarHBondContact CA-O 3.34Å; L152-V249 PolarHBondContact N-O 2.81Å; L152-R251 HydrophobicContact CD1-CB 4.29Å
153	Y	92.9	Very high	90.7	Very high	44 Å²	44	18.1 Å²	18.1	17%	0.173	9%	0.087	C	C	.	.	S	Bend	trans	-151	144.8	170.4	-170	-96.8	0	0	0	109.3	V151 I155 V249 I279 Q280 L285	V151-Y153 WeakPolarHBondContact CG1-O 3.46Å; Y153-I155 WeakPolarHBondContact O-CG2 3.29Å; Y153-I155 PolarHBondContact O-N 3.29Å; Y153-V249 PolarHBondContact N-O 3.09Å; Y153-V249 VanDerWaalsContact N-O 3.14Å; Y153-I279 HydrophobicContact CD1-CG2 3.85Å; Y153-I279 HydrophobicContact CE1-CG2 4.06Å; Y153-Q280 VanDerWaalsContact CE1-O 3.23Å; Y153-Q280 WeakPolarHBondContact CE1-O 3.46Å; Y153-L285 HydrophobicContact CD1-CB 4.35Å; Y153-L285 HydrophobicContact CD1-CD2 3.68Å; Y153-L285 HydrophobicContact CD1-CG 4.43Å; Y153-L285 HydrophobicContact CD2-CD1 3.83Å; Y153-L285 HydrophobicContact CD2-CD2 4.35Å; Y153-L285 HydrophobicContact CD2-CG 4.5Å; Y153-L285 HydrophobicContact CE1-CB 3.72Å; Y153-L285 HydrophobicContact CE1-CD2 3.9Å; Y153-L285 HydrophobicContact CE1-CG 4.27Å; Y153-L285 HydrophobicContact CE2-CB 4.12Å; Y153-L285 HydrophobicContact CE2-CD1 3.85Å; Y153-L285 HydrophobicContact CE2-CG 4.39Å; Y153-L285 HydrophobicContact CG-CD1 4.21Å; Y153-L285 HydrophobicContact CG-CD2 3.89Å
154	P	93.9	Very high	90.3	Very high	32 Å²	32	13.3 Å²	13.3	21%	0.208	7%	0.07	C	C	.	.			trans	-51.6	130.3	-172.2	-30.2	37.1	0	0	0	114.8	I214 L215 Q280	P154-I214 HydrophobicContact CB-CG2 4.16Å; P154-L215 VanDerWaalsContact CA-O 3.29Å; P154-L215 WeakPolarHBondContact CA-O 3.16Å; P154-Q280 HydrophobicContact CB-CB 4.02Å; P154-Q280 HydrophobicContact CB-CG 4.44Å; P154-Q280 WeakPolarHBondContact O-CB 3.32Å; P154-Q280 PolarHBondContact O-N 3.25Å
155	I	95.3	Very high	89.4	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	160.9	178.2	64.1	173	0	0	0	111.2	V151 Y153 L215 V249 L250 Y277 T278	V151-I155 HydrophobicContact CG1-CG1 4.09Å; V151-I155 HydrophobicContact CG2-CD1 3.9Å; V151-I155 HydrophobicContact CG2-CG1 4Å; Y153-I155 WeakPolarHBondContact O-CG2 3.29Å; Y153-I155 PolarHBondContact O-N 3.29Å; I155-L215 HydrophobicContact CD1-CD1 4.39Å; I155-L215 HydrophobicContact CG1-CB 4.06Å; I155-L215 HydrophobicContact CG1-CD1 4.27Å; I155-L215 PolarHBondContact N-O 2.8Å; I155-L215 VanDerWaalsContact N-O 3.15Å; I155-L215 PolarHBondContact O-N 2.65Å; I155-V249 HydrophobicContact CG2-CB 4.42Å; I155-V249 HydrophobicContact CG2-CG2 3.99Å; I155-L250 HydrophobicContact CD1-CD2 4.09Å; I155-Y277 HydrophobicContact CB-CD2 3.93Å; I155-Y277 HydrophobicContact CD1-CD2 4.04Å; I155-Y277 HydrophobicContact CD1-CG 4.3Å; I155-Y277 HydrophobicContact CG2-CD2 3.8Å; I155-Y277 HydrophobicContact CG2-CE2 4.01Å; I155-T278 CarbonylContact C-O 3.58Å; I155-T278 VanDerWaalsContact CA-O 3.3Å; I155-T278 WeakPolarHBondContact CA-O 3.31Å; I155-T278 WeakPolarHBondContact CB-O 3.34Å
156	V	94.9	Very high	88.2	Confident	10 Å²	10	17.9 Å²	17.9	6%	0.061	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.5	172.1	-179.5	0	0	0	0	108.8	Q212 I214 Y277 T278 Q280	V156-Q212 HydrophobicContact CG1-CB 3.78Å; V156-Q212 HydrophobicContact CG1-CG 4.17Å; V156-I214 HydrophobicContact CG2-CG1 3.94Å; V156-Y277 CarbonylContact O-C 3.48Å; V156-Y277 WeakPolarHBondContact O-CA 3.21Å; V156-Y277 VanDerWaalsContact O-CB 3.29Å; V156-Y277 WeakPolarHBondContact O-CB 3.36Å; V156-T278 PolarHBondContact N-O 3.49Å; V156-T278 PolarHBondContact O-N 2.92Å; V156-Q280 HydrophobicContact CG2-CB 4.48Å
157	I	94.4	Very high	87	Confident	1 Å²	1	21 Å²	21	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.3	172	-63.3	-177.5	0	0	0	108.4	F149 L160 L179 V210 L215 F275 I276	F149-I157 HydrophobicContact CZ-CD1 4.14Å; I157-L160 HydrophobicContact CG2-CD2 4.13Å; I157-L179 HydrophobicContact CD1-CD2 4Å; I157-V210 HydrophobicContact CG2-CG2 4.12Å; I157-L215 HydrophobicContact CD1-CD1 3.59Å; I157-L215 HydrophobicContact CG1-CD1 3.83Å; I157-F275 HydrophobicContact CD1-CD2 3.83Å; I157-F275 HydrophobicContact CD1-CE2 4.09Å; I157-F275 HydrophobicContact CD1-CG 4.35Å; I157-F275 HydrophobicContact CG1-CD2 3.9Å; I157-F275 HydrophobicContact CG1-CE2 4.24Å; I157-F275 HydrophobicContact CG2-CB 4.21Å; I157-F275 HydrophobicContact CG2-CD2 4.38Å; I157-I276 CarbonylContact C-O 3.5Å; I157-I276 WeakPolarHBondContact CA-O 3.46Å
158	T	93.4	Very high	85.6	Confident	8 Å²	8	24.9 Å²	24.9	5%	0.049	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-33.5	-178.1	65.3	0	0	0	0	112.3	E125 P209 V210 I276 T278	E125-T158 PolarHBondContact OE1-OG1 3.04Å; T158-P209 WeakPolarHBondContact O-CA 3.3Å; T158-V210 PolarHBondContact O-N 3.35Å; T158-I276 PolarHBondContact N-O 2.78Å; T158-I276 WeakPolarHBondContact OG1-CG2 3.38Å; T158-I276 PolarHBondContact OG1-O 2.66Å; T158-T278 HydrophobicContact CG2-CG2 4.26Å
159	S	94.1	Very high	84.4	Confident	17 Å²	17	30.7 Å²	30.7	12%	0.119	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148	-178.6	-61.1	0	0	0	0	112.6	K208 F275 I276	S159-K208 CarbonylContact C-O 3.54Å; S159-K208 WeakPolarHBondContact CA-O 3.45Å; S159-K208 WeakPolarHBondContact CB-O 3.27Å; S159-F275 CarbonylContact O-C 3.58Å; S159-F275 VanDerWaalsContact O-CA 3.25Å; S159-F275 WeakPolarHBondContact O-CA 3.49Å; S159-F275 WeakPolarHBondContact O-CB 3.43Å; S159-I276 PolarHBondContact N-O 3.08Å; S159-I276 PolarHBondContact O-N 3.44Å
160	L	94.2	Very high	83.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.3	167.1	-63.7	180	0	0	0	109.3	I157 V177 F189 A191 F193 Y207 K208 V210 F275	I157-L160 HydrophobicContact CG2-CD2 4.13Å; L160-V177 HydrophobicContact CB-CB 4.41Å; L160-V177 HydrophobicContact CB-CG1 4.22Å; L160-V177 HydrophobicContact CD1-CB 4.24Å; L160-V177 HydrophobicContact CD1-CG1 4.02Å; L160-F189 HydrophobicContact CD1-CB 4.17Å; L160-A191 HydrophobicContact CB-CB 3.91Å; L160-A191 HydrophobicContact CD1-CB 3.98Å; L160-A191 HydrophobicContact CG-CB 4.48Å; L160-F193 WeakPolarHBondContact O-CZ 3.23Å; L160-Y207 CarbonylContact O-C 3.57Å; L160-Y207 WeakPolarHBondContact O-CA 3.33Å; L160-K208 PolarHBondContact N-O 2.96Å; L160-K208 PolarHBondContact O-N 3.24Å; L160-V210 HydrophobicContact CB-CG1 4.24Å; L160-V210 HydrophobicContact CD1-CG1 3.84Å; L160-V210 HydrophobicContact CG-CG1 3.74Å; L160-V210 HydrophobicContact CG-CG2 4.42Å; L160-F275 HydrophobicContact CD2-CB 3.79Å
161	G	92.1	Very high	82.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.1	-175.9	0	0	0	0	0	115	W206 Y207 W225 G273 G274	G161-W206 CarbonylContact C-O 3.59Å; G161-W206 WeakPolarHBondContact CA-O 3.4Å; G161-Y207 VanDerWaalsContact CA-CD1 3.47Å; G161-W225 PolarHBondContact O-NE1 3.44Å; G161-G273 WeakPolarHBondContact O-CA 3.28Å; G161-G274 WeakPolarHBondContact CA-O 3.33Å; G161-G274 PolarHBondContact N-O 2.67Å; G161-G274 PolarHBondContact O-N 2.79Å; G161-G274 VanDerWaalsContact O-N 3.11Å
162	V	90.7	Very high	82.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.6	-176.3	-62.8	0	0	0	0	110.9	F171 I175 V177 F193 W206	V162-F171 HydrophobicContact CG2-CE2 3.57Å; V162-F171 HydrophobicContact CG2-CZ 3.89Å; V162-I175 HydrophobicContact CB-CD1 4.43Å; V162-I175 HydrophobicContact CG1-CB 4.31Å; V162-I175 HydrophobicContact CG1-CG2 3.74Å; V162-V177 HydrophobicContact CG1-CG2 3.46Å; V162-V177 VanDerWaalsContact CG1-CG2 3.46Å; V162-F193 HydrophobicContact CG1-CD1 4.46Å; V162-F193 HydrophobicContact CG1-CD2 3.68Å; V162-F193 HydrophobicContact CG1-CE1 4.49Å; V162-F193 HydrophobicContact CG1-CE2 3.74Å; V162-F193 HydrophobicContact CG1-CG 4.08Å; V162-F193 HydrophobicContact CG1-CZ 4.15Å; V162-F193 HydrophobicContact CG2-CD1 3.64Å; V162-F193 HydrophobicContact CG2-CD2 4.33Å; V162-F193 HydrophobicContact CG2-CE1 3.84Å; V162-F193 HydrophobicContact CG2-CG 3.91Å; V162-F193 HydrophobicContact CG2-CZ 4.29Å; V162-W206 HydrophobicContact CG2-CB 3.94Å; V162-W206 PolarHBondContact N-O 2.86Å; V162-W206 PolarHBondContact O-N 3.01Å
163	F	86.7	Confident	81.7	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.6	167.7	-65.7	-31.2	0	0	0	110	L131 L205 V234 R236 V271 A272 G273	L131-F163 HydrophobicContact CD1-CD1 3.77Å; L131-F163 HydrophobicContact CD1-CE1 3.75Å; L131-F163 HydrophobicContact CD1-CG 4.39Å; L131-F163 HydrophobicContact CD1-CZ 4.35Å; L131-F163 HydrophobicContact CD2-CE1 3.9Å; L131-F163 HydrophobicContact CD2-CE2 4.06Å; L131-F163 HydrophobicContact CD2-CZ 3.66Å; L131-F163 HydrophobicContact CG-CD1 4.25Å; L131-F163 HydrophobicContact CG-CE1 3.7Å; L131-F163 HydrophobicContact CG-CZ 4Å; F163-L205 HydrophobicContact CD1-CD1 4.36Å; F163-L205 HydrophobicContact CD1-CD2 3.7Å; F163-L205 HydrophobicContact CD1-CG 3.73Å; F163-L205 HydrophobicContact CE1-CD1 4.09Å; F163-L205 HydrophobicContact CE1-CD2 3.54Å; F163-L205 HydrophobicContact CE1-CG 3.83Å; F163-V234 HydrophobicContact CB-CB 4.22Å; F163-V234 HydrophobicContact CB-CG1 4.16Å; F163-V234 WeakPolarHBondContact CD2-O 3.38Å; F163-R236 HydrophobicContact CE2-CB 4.3Å; F163-R236 HydrophobicContact CE2-CG 4.25Å; F163-V271 HydrophobicContact CE2-CB 4.27Å; F163-V271 HydrophobicContact CE2-CG1 3.84Å; F163-V271 VanDerWaalsContact CE2-O 3.27Å; F163-V271 WeakPolarHBondContact CE2-O 3.07Å; F163-V271 HydrophobicContact CZ-CG1 3.82Å; F163-A272 PolarHBondContact N-O 2.88Å; F163-G273 WeakPolarHBondContact CZ-O 3.03Å
164	Y	76	Confident	81.5	Confident	54 Å²	54	40.5 Å²	40.5	21%	0.212	24%	0.241	C	C	.	.			trans	-133.4	153.4	172.6	79.8	-79.9	0	0	0	110.4	A166 Q201 K204 W206	Y164-A166 HydrophobicContact CE2-CB 4.27Å; Y164-A166 PolarHBondContact O-N 3.47Å; Y164-Q201 HydrophobicContact CE1-CG 4.47Å; Y164-Q201 PolarHBondContact OH-NE2 3.08Å; Y164-K204 VanDerWaalsContact CD1-O 3.26Å; Y164-K204 WeakPolarHBondContact CD1-O 3.34Å; Y164-K204 VanDerWaalsContact CE1-C 3.5Å; Y164-K204 WeakPolarHBondContact CE1-O 3.5Å; Y164-W206 AromaticContact CD1-CD1 3.26Å; Y164-W206 AromaticContact CD1-NE1 3.24Å; Y164-W206 AromaticContact CD2-NE1 3.84Å; Y164-W206 AromaticContact CE1-NE1 3.67Å; Y164-W206 AromaticContact CG-CD1 3.57Å; Y164-W206 AromaticContact CG-NE1 3.35Å; Y164-W206 VanDerWaalsContact CG-NE1 3.35Å
165	D	69.4	Low	81.3	Confident	51 Å²	51	39.2 Å²	39.2	27%	0.273	23%	0.233	S	C	.	.			trans	-82.8	114.8	174.4	-175.8	-5.4	0	0	0	109.7	S167 N168 V234	D165-S167 PolarHBondContact O-N 2.74Å; D165-S167 VanDerWaalsContact O-N 3.17Å; D165-S167 VanDerWaalsContact OD1-CB 3.31Å; D165-S167 WeakPolarHBondContact OD1-CB 3.31Å; D165-S167 PolarHBondContact OD1-N 2.86Å; D165-S167 PolarHBondContact OD1-OG 3.21Å; D165-S167 PolarHBondContact OD2-OG 3.22Å; D165-N168 PolarHBondContact O-N 2.89Å; D165-V234 HydrophobicContact CB-CG2 4.34Å
166	A	61.6	Low	81.2	Confident	77 Å²	77	39.5 Å²	39.5	64%	0.636	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.8	179.3	0	0	0	0	0	113.9	Y164 N168	Y164-A166 HydrophobicContact CE2-CB 4.27Å; Y164-A166 PolarHBondContact O-N 3.47Å; A166-N168 VanDerWaalsContact C-N 3.28Å
167	S	62.5	Low	81.1	Confident	91 Å²	91	39 Å²	39	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.1	175.9	72.5	0	0	0	0	113.6	D165	D165-S167 PolarHBondContact O-N 2.74Å; D165-S167 VanDerWaalsContact O-N 3.17Å; D165-S167 VanDerWaalsContact OD1-CB 3.31Å; D165-S167 WeakPolarHBondContact OD1-CB 3.31Å; D165-S167 PolarHBondContact OD1-N 2.86Å; D165-S167 PolarHBondContact OD1-OG 3.21Å; D165-S167 PolarHBondContact OD2-OG 3.22Å
168	N	59.8	Low	80.9	Confident	84 Å²	84	40.7 Å²	40.7	45%	0.449	24%	0.239	S	C	.	.	S	Bend	trans	-102.4	140.6	-179.8	-70	-54.2	0	0	0	112	D165 A166 G170	D165-N168 PolarHBondContact O-N 2.89Å; A166-N168 VanDerWaalsContact C-N 3.28Å; N168-G170 PolarHBondContact O-N 3.35Å
169	V	61.8	Low	80.8	Confident	141 Å²	141	40.3 Å²	40.3	86%	0.855	24%	0.236	S	C	*	.	S	Bend	trans	-76.9	105.2	176.2	-176.9	0	0	0	0	109.3	Q172	V169-Q172 PolarHBondContact O-NE2 3.02Å; V169-Q172 VanDerWaalsContact O-NE2 3.17Å
170	G	67.6	Low	80.4	Confident	42 Å²	42	40.7 Å²	40.7	43%	0.433	24%	0.235	S	C	.	.	S	Bend	trans	81.4	174.6	176.5	0	0	0	0	0	114.6	N168	N168-G170 PolarHBondContact O-N 3.35Å
171	F	75.6	Confident	79.8	Confident	14 Å²	14	43.5 Å²	43.5	6%	0.061	25%	0.249	C	C	.	.			trans	-82.7	117.6	-179.9	-167.5	-97.6	0	0	0	110.5	V162 R173 I175 F193 P195 C198 W206	V162-F171 HydrophobicContact CG2-CE2 3.57Å; V162-F171 HydrophobicContact CG2-CZ 3.89Å; F171-R173 WeakPolarHBondContact CD1-O 3.47Å; F171-R173 WeakPolarHBondContact CE1-O 3.38Å; F171-I175 HydrophobicContact CE2-CD1 4.43Å; F171-I175 HydrophobicContact CZ-CD1 4Å; F171-I175 HydrophobicContact CZ-CG1 4.32Å; F171-F193 HydrophobicContact CE1-CB 3.49Å; F171-F193 VanDerWaalsContact CE1-CB 3.49Å; F171-F193 HydrophobicContact CZ-CB 3.5Å; F171-F193 VanDerWaalsContact CZ-CB 3.5Å; F171-F193 HydrophobicContact CZ-CD1 4.47Å; F171-F193 HydrophobicContact CZ-CG 4.3Å; F171-P195 VanDerWaalsContact O-CA 3.29Å; F171-P195 WeakPolarHBondContact O-CA 3.21Å; F171-P195 VanDerWaalsContact O-CB 3.31Å; F171-P195 WeakPolarHBondContact O-CB 3.35Å; F171-C198 HydrophobicContact CB-CB 3.5Å; F171-C198 HydrophobicContact CD1-CB 3.85Å; F171-C198 HydrophobicContact CG-CB 3.74Å; F171-W206 AromaticContact CD2-CD1 3.99Å; F171-W206 HydrophobicContact CD2-CG 4.26Å
172	Q	77.3	Confident	78.6	Confident	129 Å²	129	44 Å²	44	60%	0.603	25%	0.253	S	S	*	.			trans	-116.9	4.8	-169.5	-63.1	-67.7	-22.4	0	0	114.1	V169	V169-Q172 PolarHBondContact O-NE2 3.02Å; V169-Q172 VanDerWaalsContact O-NE2 3.17Å
173	R	81.4	Confident	77.2	Confident	37 Å²	37	48.1 Å²	48.1	14%	0.14	27%	0.272	C	S	.	.			trans	-116	157.3	-172.5	-62.5	-175.5	-177.2	-171.6	-2.1	112.1	E141 F171 I175 D229 G232	E141-R173 IonicContact OE1-CZ 2.74Å; E141-R173 IonicContact OE1-NH1 3.36Å; E141-R173 IonicContact OE1-NH2 3.21Å; E141-R173 PolarHBondContact OE1-NH2 2.81Å; F171-R173 WeakPolarHBondContact CD1-O 3.47Å; F171-R173 WeakPolarHBondContact CE1-O 3.38Å; R173-I175 HydrophobicContact CB-CD1 4.2Å; R173-I175 HydrophobicContact CB-CG1 4.09Å; R173-D229 WeakPolarHBondContact CA-OD2 3.42Å; R173-G232 PolarHBondContact NH1-O 3.19Å
174	N	88.6	Confident	76.4	Confident	57 Å²	57	52 Å²	52	31%	0.305	29%	0.29	S	S	.	.			trans	-103.7	105.1	169.8	-63.7	-45.1	0	0	0	109.4	F193 S194 Q228 D229	N174-F193 WeakPolarHBondContact CA-O 3.32Å; N174-S194 WeakPolarHBondContact OD1-CB 3.3Å; N174-Q228 HydrophobicContact CB-CB 4.23Å; N174-Q228 PolarHBondContact O-N 2.91Å; N174-D229 PolarHBondContact N-OD2 3.33Å; N174-D229 PolarHBondContact ND2-OD1 3.11Å
175	I	90.8	Very high	76.1	Confident	5 Å²	5	58 Å²	58	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.5	-175.7	-58.1	176.1	0	0	0	109	V162 F171 R173 V177 F193 E226 L233	V162-I175 HydrophobicContact CB-CD1 4.43Å; V162-I175 HydrophobicContact CG1-CB 4.31Å; V162-I175 HydrophobicContact CG1-CG2 3.74Å; F171-I175 HydrophobicContact CE2-CD1 4.43Å; F171-I175 HydrophobicContact CZ-CD1 4Å; F171-I175 HydrophobicContact CZ-CG1 4.32Å; R173-I175 HydrophobicContact CB-CD1 4.2Å; R173-I175 HydrophobicContact CB-CG1 4.09Å; I175-V177 HydrophobicContact CG2-CG2 4.36Å; I175-F193 HydrophobicContact CB-CB 4.39Å; I175-F193 PolarHBondContact N-O 2.91Å; I175-F193 PolarHBondContact O-N 3.31Å; I175-E226 CarbonylContact C-O 3.54Å; I175-E226 WeakPolarHBondContact CA-O 3.42Å; I175-L233 HydrophobicContact CB-CD2 4.35Å; I175-L233 HydrophobicContact CD1-CD2 3.81Å; I175-L233 HydrophobicContact CG1-CD2 3.84Å; I175-L233 HydrophobicContact CG2-CD2 3.65Å
176	T	91.8	Very high	76.7	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129	170.6	-57	0	0	0	0	109.1	K178 I190 R192 E226 Q228	T176-K178 HydrophobicContact CG2-CD 4.47Å; T176-K178 HydrophobicContact CG2-CG 3.94Å; T176-I190 HydrophobicContact CG2-CG2 3.7Å; T176-R192 HydrophobicContact CG2-CG 4.09Å; T176-E226 PolarHBondContact N-O 3.08Å; T176-E226 PolarHBondContact O-N 2.99Å; T176-Q228 PolarHBondContact OG1-NE2 3.11Å; T176-Q228 VanDerWaalsContact OG1-NE2 3.12Å
177	V	92.9	Very high	77.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.9	173.2	-166.5	0	0	0	0	107.9	L160 V162 I175 I190 A191 F193 I223 V224 W225	L160-V177 HydrophobicContact CB-CB 4.41Å; L160-V177 HydrophobicContact CB-CG1 4.22Å; L160-V177 HydrophobicContact CD1-CB 4.24Å; L160-V177 HydrophobicContact CD1-CG1 4.02Å; V162-V177 HydrophobicContact CG1-CG2 3.46Å; V162-V177 VanDerWaalsContact CG1-CG2 3.46Å; I175-V177 HydrophobicContact CG2-CG2 4.36Å; V177-I190 CarbonylContact O-C 3.45Å; V177-I190 WeakPolarHBondContact O-CA 3.38Å; V177-A191 HydrophobicContact CB-CB 4.49Å; V177-A191 PolarHBondContact N-O 3.44Å; V177-A191 PolarHBondContact O-N 3.29Å; V177-F193 HydrophobicContact CG2-CD2 4.04Å; V177-F193 HydrophobicContact CG2-CE2 3.71Å; V177-I223 HydrophobicContact CG1-CG2 3.76Å; V177-V224 CarbonylContact C-O 3.54Å; V177-V224 WeakPolarHBondContact CA-O 3.35Å; V177-W225 HydrophobicContact CG1-CG 4.33Å; V177-W225 VanDerWaalsContact CG2-CD1 3.41Å; V177-W225 HydrophobicContact CG2-CG 4.39Å
178	K	90.9	Very high	78.8	Confident	37 Å²	37	59.5 Å²	59.5	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.3	-179.4	-57.4	179.5	-166.1	151.5	0	109.9	T176 Y180 A187 F189 I190 I223 V224 E226	T176-K178 HydrophobicContact CG2-CD 4.47Å; T176-K178 HydrophobicContact CG2-CG 3.94Å; K178-Y180 HydrophobicContact CB-CD2 4.21Å; K178-Y180 HydrophobicContact CB-CE2 3.58Å; K178-Y180 HydrophobicContact CD-CE2 3.94Å; K178-Y180 WeakPolarHBondContact CD-OH 3.3Å; K178-Y180 HydrophobicContact CG-CE2 4.43Å; K178-A187 HydrophobicContact CB-CB 3.94Å; K178-A187 HydrophobicContact CD-CB 4.32Å; K178-A187 HydrophobicContact CG-CB 4.33Å; K178-F189 VanDerWaalsContact CA-O 3.25Å; K178-F189 WeakPolarHBondContact CA-O 3.33Å; K178-I190 HydrophobicContact CG-CG1 4.29Å; K178-I190 HydrophobicContact CG-CG2 4.41Å; K178-I223 CarbonylContact O-C 3.58Å; K178-I223 WeakPolarHBondContact O-CA 3.21Å; K178-V224 PolarHBondContact N-O 3.45Å; K178-V224 PolarHBondContact O-N 3.35Å; K178-E226 WeakPolarHBondContact CE-OE2 3.38Å; K178-E226 IonicContact NZ-OE1 3.5Å; K178-E226 PolarHBondContact NZ-OE1 3.39Å; K178-E226 IonicContact NZ-OE2 3.46Å; K178-E226 PolarHBondContact NZ-OE2 3.22Å
179	L	89.9	Confident	80	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.8	165.1	178.5	70.3	0	0	0	108.4	F149 I157 A187 L188 F189 L215 F219 I223	F149-L179 HydrophobicContact CE1-CD1 3.62Å; F149-L179 HydrophobicContact CZ-CD1 3.87Å; I157-L179 HydrophobicContact CD1-CD2 4Å; L179-A187 CarbonylContact O-C 3.56Å; L179-A187 WeakPolarHBondContact O-CA 3.42Å; L179-L188 HydrophobicContact CD2-CD1 4.22Å; L179-L188 PolarHBondContact O-N 3.33Å; L179-F189 HydrophobicContact CB-CB 4.28Å; L179-F189 HydrophobicContact CB-CD2 3.93Å; L179-F189 HydrophobicContact CD2-CD2 3.49Å; L179-F189 VanDerWaalsContact CD2-CD2 3.49Å; L179-F189 HydrophobicContact CD2-CE2 3.7Å; L179-F189 HydrophobicContact CG-CD2 4.29Å; L179-F189 PolarHBondContact N-O 2.8Å; L179-L215 HydrophobicContact CD2-CD1 4.36Å; L179-F219 HydrophobicContact CD2-CZ 4.47Å; L179-I223 HydrophobicContact CD1-CD1 4.32Å; L179-I223 HydrophobicContact CD1-CG1 3.46Å; L179-I223 VanDerWaalsContact CD1-CG1 3.46Å
180	Y	85.8	Confident	81.4	Confident	24 Å²	24	53.2 Å²	53.2	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.1	171	-65.4	-87.1	0	0	0	109.5	K178 E185 A187 G221 T222 V224 F264	K178-Y180 HydrophobicContact CB-CD2 4.21Å; K178-Y180 HydrophobicContact CB-CE2 3.58Å; K178-Y180 HydrophobicContact CD-CE2 3.94Å; K178-Y180 WeakPolarHBondContact CD-OH 3.3Å; K178-Y180 HydrophobicContact CG-CE2 4.43Å; Y180-E185 WeakPolarHBondContact CE1-O 3.13Å; Y180-A187 HydrophobicContact CD1-CB 4.22Å; Y180-A187 HydrophobicContact CE1-CB 3.87Å; Y180-G221 CarbonylContact O-C 2.94Å; Y180-G221 WeakPolarHBondContact O-CA 3.45Å; Y180-T222 PolarHBondContact N-O 2.99Å; Y180-T222 PolarHBondContact O-N 3.15Å; Y180-V224 HydrophobicContact CD2-CB 4.46Å; Y180-V224 HydrophobicContact CD2-CG2 3.78Å; Y180-V224 HydrophobicContact CE2-CB 4.15Å; Y180-V224 HydrophobicContact CE2-CG2 3.82Å; Y180-F264 HydrophobicContact CD2-CE2 4.48Å; Y180-F264 HydrophobicContact CD2-CZ 4.24Å; Y180-F264 HydrophobicContact CE1-CZ 4.41Å; Y180-F264 AromaticContact CE2-CZ 3.98Å; Y180-F264 HydrophobicContact CE2-CZ 3.98Å
181	Q	82.3	Confident	82.5	Confident	60 Å²	60	51.6 Å²	51.6	28%	0.28	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	144.8	158.8	-172.3	169.5	-9.4	0	0	108.4	E183 Q184 L188 F219	Q181-E183 PolarHBondContact O-N 3.49Å; Q181-Q184 HydrophobicContact CB-CB 4.3Å; Q181-Q184 HydrophobicContact CB-CG 4.14Å; Q181-Q184 PolarHBondContact O-N 3.14Å; Q181-Q184 VanDerWaalsContact O-N 3.15Å; Q181-L188 HydrophobicContact CB-CD1 3.98Å; Q181-L188 HydrophobicContact CB-CG 4.24Å; Q181-F219 HydrophobicContact CB-CE2 3.95Å; Q181-F219 HydrophobicContact CB-CZ 4.19Å; Q181-F219 HydrophobicContact CG-CD2 4.29Å; Q181-F219 HydrophobicContact CG-CE2 3.6Å; Q181-F219 HydrophobicContact CG-CZ 4.21Å
182	A	66.9	Low	83.4	Confident	11 Å²	11	58.9 Å²	58.9	9%	0.091	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	135.2	168.7	0	0	0	0	0	110	Q184 E220 T394	A182-Q184 VanDerWaalsContact C-N 3.27Å; A182-Q184 PolarHBondContact O-N 2.91Å; A182-E220 HydrophobicContact CB-CB 4.07Å; A182-E220 PolarHBondContact N-O 2.83Å; A182-T394 HydrophobicContact CB-CG2 4.37Å
183	E	61.4	Low	84.1	Confident	86 Å²	86	53 Å²	53	40%	0.402	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-0.4	177.9	-45.5	170.9	147.5	0	0	116.4	Q181 R393	Q181-E183 PolarHBondContact O-N 3.49Å; E183-R393 HydrophobicContact CG-CB 4.06Å; E183-R393 HydrophobicContact CG-CG 4.15Å; E183-R393 WeakPolarHBondContact OE1-CA 3.15Å; E183-R393 WeakPolarHBondContact OE1-CB 3.34Å; E183-R393 WeakPolarHBondContact OE1-CG 3.14Å; E183-R393 PolarHBondContact OE1-N 2.52Å
184	Q	69.6	Low	84.4	Confident	86 Å²	86	52.5 Å²	52.5	40%	0.402	25%	0.253	S	S	.	.			trans	-101.3	135.3	175	-68.5	-176.8	3.8	0	0	112.4	Q181 A182	Q181-Q184 HydrophobicContact CB-CB 4.3Å; Q181-Q184 HydrophobicContact CB-CG 4.14Å; Q181-Q184 PolarHBondContact O-N 3.14Å; Q181-Q184 VanDerWaalsContact O-N 3.15Å; A182-Q184 VanDerWaalsContact C-N 3.27Å; A182-Q184 PolarHBondContact O-N 2.91Å
185	E	69.9	Low	84.4	Confident	182 Å²	182	52.5 Å²	52.5	85%	0.85	26%	0.256	S	S	*	.	S	Bend	trans	-80.3	-21.1	173	-65	-173.4	172.8	0	0	112.6	Y180	Y180-E185 WeakPolarHBondContact CE1-O 3.13Å
186	E	81.6	Confident	84.2	Confident	161 Å²	161	58 Å²	58	75%	0.752	29%	0.292	S	S	*	.	S	Bend	trans	-91.6	136.6	178.4	-66.1	-170.9	169.9	0	0	111
187	A	83.3	Confident	84	Confident	27 Å²	27	60.7 Å²	60.7	22%	0.223	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.8	176.3	0	0	0	0	0	110	K178 L179 Y180 F189 I190	K178-A187 HydrophobicContact CB-CB 3.94Å; K178-A187 HydrophobicContact CD-CB 4.32Å; K178-A187 HydrophobicContact CG-CB 4.33Å; L179-A187 CarbonylContact O-C 3.56Å; L179-A187 WeakPolarHBondContact O-CA 3.42Å; Y180-A187 HydrophobicContact CD1-CB 4.22Å; Y180-A187 HydrophobicContact CE1-CB 3.87Å; A187-F189 VanDerWaalsContact C-N 3.31Å; A187-I190 HydrophobicContact CB-CD1 4.17Å; A187-I190 HydrophobicContact CB-CG1 3.79Å
188	L	84.8	Confident	83.6	Confident	61 Å²	61	62 Å²	62	32%	0.319	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	-42.8	171.1	-66.4	179	0	0	0	111.2	L179 Q181 F219	L179-L188 HydrophobicContact CD2-CD1 4.22Å; L179-L188 PolarHBondContact O-N 3.33Å; Q181-L188 HydrophobicContact CB-CD1 3.98Å; Q181-L188 HydrophobicContact CB-CG 4.24Å; L188-F219 HydrophobicContact CD1-CE2 3.7Å; L188-F219 HydrophobicContact CD1-CZ 3.49Å; L188-F219 VanDerWaalsContact CD1-CZ 3.49Å
189	F	86	Confident	83.5	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.044	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.9	179.3	-55.5	-57.8	0	0	0	111.6	L160 K178 L179 A187 V210 E211 F213	L160-F189 HydrophobicContact CD1-CB 4.17Å; K178-F189 VanDerWaalsContact CA-O 3.25Å; K178-F189 WeakPolarHBondContact CA-O 3.33Å; L179-F189 HydrophobicContact CB-CB 4.28Å; L179-F189 HydrophobicContact CB-CD2 3.93Å; L179-F189 HydrophobicContact CD2-CD2 3.49Å; L179-F189 VanDerWaalsContact CD2-CD2 3.49Å; L179-F189 HydrophobicContact CD2-CE2 3.7Å; L179-F189 HydrophobicContact CG-CD2 4.29Å; L179-F189 PolarHBondContact N-O 2.8Å; A187-F189 VanDerWaalsContact C-N 3.31Å; F189-V210 HydrophobicContact CB-CG1 4.48Å; F189-V210 HydrophobicContact CD1-CB 4.41Å; F189-V210 HydrophobicContact CG-CB 4.48Å; F189-E211 HydrophobicContact CE1-CB 4.31Å; F189-E211 WeakPolarHBondContact CE1-O 3.48Å; F189-F213 HydrophobicContact CD1-CD2 4.43Å; F189-F213 HydrophobicContact CD1-CE2 4.49Å; F189-F213 AromaticContact CE1-CD2 3.13Å; F189-F213 HydrophobicContact CE1-CD2 3.13Å; F189-F213 AromaticContact CE1-CE2 3.41Å; F189-F213 HydrophobicContact CE1-CE2 3.41Å; F189-F213 VanDerWaalsContact CE1-CE2 3.41Å; F189-F213 HydrophobicContact CE1-CG 4.14Å; F189-F213 HydrophobicContact CZ-CB 3.87Å; F189-F213 AromaticContact CZ-CD2 3.24Å; F189-F213 HydrophobicContact CZ-CD2 3.24Å; F189-F213 AromaticContact CZ-CE2 3.97Å; F189-F213 HydrophobicContact CZ-CE2 3.97Å; F189-F213 AromaticContact CZ-CG 3.83Å; F189-F213 HydrophobicContact CZ-CG 3.83Å
190	I	89.9	Confident	83.4	Confident	84 Å²	84	66.7 Å²	66.7	43%	0.431	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.8	173.2	-53	-179.8	0	0	0	109.2	T176 V177 K178 A187 R192	T176-I190 HydrophobicContact CG2-CG2 3.7Å; V177-I190 CarbonylContact O-C 3.45Å; V177-I190 WeakPolarHBondContact O-CA 3.38Å; K178-I190 HydrophobicContact CG-CG1 4.29Å; K178-I190 HydrophobicContact CG-CG2 4.41Å; A187-I190 HydrophobicContact CB-CD1 4.17Å; A187-I190 HydrophobicContact CB-CG1 3.79Å; I190-R192 HydrophobicContact CG2-CG 4.14Å
191	A	92.5	Very high	83.3	Confident	7 Å²	7	69.9 Å²	69.9	6%	0.058	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.3	169.2	0	0	0	0	0	109.7	L160 V177 F193 K208 V210	L160-A191 HydrophobicContact CB-CB 3.91Å; L160-A191 HydrophobicContact CD1-CB 3.98Å; L160-A191 HydrophobicContact CG-CB 4.48Å; V177-A191 HydrophobicContact CB-CB 4.49Å; V177-A191 PolarHBondContact N-O 3.44Å; V177-A191 PolarHBondContact O-N 3.29Å; A191-F193 HydrophobicContact CB-CE2 3.8Å; A191-F193 HydrophobicContact CB-CZ 4.47Å; A191-K208 HydrophobicContact CB-CB 4.41Å; A191-V210 HydrophobicContact CB-CG1 4.15Å
192	R	92.9	Very high	83.1	Confident	168 Å²	168	69.4 Å²	69.4	63%	0.634	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.1	178.2	-66	-178.1	179.8	129.7	0.7	110.3	T176 I190 K208	T176-R192 HydrophobicContact CG2-CG 4.09Å; I190-R192 HydrophobicContact CG2-CG 4.14Å; R192-K208 WeakPolarHBondContact O-CE 3.43Å; R192-K208 PolarHBondContact O-NZ 3.48Å
193	F	92.1	Very high	83.6	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.018	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136	177.6	-64.6	-102	0	0	0	109.6	L160 V162 F171 N174 I175 V177 A191 C198 W206 K208	L160-F193 WeakPolarHBondContact O-CZ 3.23Å; V162-F193 HydrophobicContact CG1-CD1 4.46Å; V162-F193 HydrophobicContact CG1-CD2 3.68Å; V162-F193 HydrophobicContact CG1-CE1 4.49Å; V162-F193 HydrophobicContact CG1-CE2 3.74Å; V162-F193 HydrophobicContact CG1-CG 4.08Å; V162-F193 HydrophobicContact CG1-CZ 4.15Å; V162-F193 HydrophobicContact CG2-CD1 3.64Å; V162-F193 HydrophobicContact CG2-CD2 4.33Å; V162-F193 HydrophobicContact CG2-CE1 3.84Å; V162-F193 HydrophobicContact CG2-CG 3.91Å; V162-F193 HydrophobicContact CG2-CZ 4.29Å; F171-F193 HydrophobicContact CE1-CB 3.49Å; F171-F193 VanDerWaalsContact CE1-CB 3.49Å; F171-F193 HydrophobicContact CZ-CB 3.5Å; F171-F193 VanDerWaalsContact CZ-CB 3.5Å; F171-F193 HydrophobicContact CZ-CD1 4.47Å; F171-F193 HydrophobicContact CZ-CG 4.3Å; N174-F193 WeakPolarHBondContact CA-O 3.32Å; I175-F193 HydrophobicContact CB-CB 4.39Å; I175-F193 PolarHBondContact N-O 2.91Å; I175-F193 PolarHBondContact O-N 3.31Å; V177-F193 HydrophobicContact CG2-CD2 4.04Å; V177-F193 HydrophobicContact CG2-CE2 3.71Å; A191-F193 HydrophobicContact CB-CE2 3.8Å; A191-F193 HydrophobicContact CB-CZ 4.47Å; F193-C198 WeakPolarHBondContact CD1-O 3.36Å; F193-W206 HydrophobicContact CD1-CB 4.45Å; F193-W206 HydrophobicContact CE1-CB 4.22Å; F193-W206 WeakPolarHBondContact CE1-O 3.25Å; F193-K208 HydrophobicContact CD1-CD 4.06Å; F193-K208 HydrophobicContact CD1-CG 4.21Å; F193-K208 HydrophobicContact CD2-CD 4.49Å; F193-K208 HydrophobicContact CE1-CB 4.15Å; F193-K208 HydrophobicContact CE1-CD 3.9Å; F193-K208 HydrophobicContact CE1-CG 3.62Å; F193-K208 HydrophobicContact CE2-CD 4.33Å; F193-K208 HydrophobicContact CG-CD 4.35Å; F193-K208 HydrophobicContact CZ-CB 3.85Å; F193-K208 HydrophobicContact CZ-CD 4.03Å; F193-K208 HydrophobicContact CZ-CG 3.81Å
194	S	89.1	Confident	84.2	Confident	28 Å²	28	74.7 Å²	74.7	20%	0.196	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-149.6	162.9	176.3	59.9	0	0	0	0	109.4	N174 P196 S197 C198	N174-S194 WeakPolarHBondContact OD1-CB 3.3Å; S194-P196 VanDerWaalsContact C-CD 3.49Å; S194-S197 PolarHBondContact N-O 2.75Å; S194-S197 VanDerWaalsContact N-O 3.09Å; S194-S197 CarbonylContact O-C 3.54Å; S194-S197 PolarHBondContact O-N 2.99Å; S194-S197 VanDerWaalsContact O-O 3.05Å; S194-C198 PolarHBondContact O-N 2.83Å
195	P	86.8	Confident	85	Confident	56 Å²	56	70.8 Å²	70.8	36%	0.364	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-44.4	176.9	-25.7	33.8	0	0	0	115.3	F171 S197	F171-P195 VanDerWaalsContact O-CA 3.29Å; F171-P195 WeakPolarHBondContact O-CA 3.21Å; F171-P195 VanDerWaalsContact O-CB 3.31Å; F171-P195 WeakPolarHBondContact O-CB 3.35Å; P195-S197 PolarHBondContact O-N 2.74Å
196	P	86.8	Confident	85.9	Confident	121 Å²	121	63.7 Å²	63.7	79%	0.786	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-10.7	177	31.4	-37.1	0	0	0	113.8	S194	S194-P196 VanDerWaalsContact C-CD 3.49Å
197	S	88.9	Confident	86.4	Confident	61 Å²	61	56.3 Å²	56.3	43%	0.427	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-146.3	75.3	-176.6	-168.5	0	0	0	0	109.2	S194 P195 K208	S194-S197 PolarHBondContact N-O 2.75Å; S194-S197 VanDerWaalsContact N-O 3.09Å; S194-S197 CarbonylContact O-C 3.54Å; S194-S197 PolarHBondContact O-N 2.99Å; S194-S197 VanDerWaalsContact O-O 3.05Å; P195-S197 PolarHBondContact O-N 2.74Å; S197-K208 WeakPolarHBondContact O-CE 3.43Å; S197-K208 PolarHBondContact O-NZ 2.96Å; S197-K208 PolarHBondContact OG-NZ 2.91Å
198	C	84.2	Confident	86.9	Confident	28 Å²	28	56.3 Å²	56.3	19%	0.189	31%	0.308	C	S	.	.			trans	-95.7	-12.7	-176	49.1	0	0	0	0	113.8	F171 F193 S194 W206	F171-C198 HydrophobicContact CB-CB 3.5Å; F171-C198 HydrophobicContact CD1-CB 3.85Å; F171-C198 HydrophobicContact CG-CB 3.74Å; F193-C198 WeakPolarHBondContact CD1-O 3.36Å; S194-C198 PolarHBondContact O-N 2.83Å; C198-W206 HydrophobicContact CB-CD2 4.36Å; C198-W206 HydrophobicContact CB-CE3 3.91Å; C198-W206 HydrophobicContact CB-CZ3 4.11Å; C198-W206 VanDerWaalsContact SG-CZ3 3.56Å
199	G	88.6	Confident	87.3	Confident	35 Å²	35	58.6 Å²	58.6	36%	0.361	33%	0.326	S	S	.	.			trans	88.9	-154.6	179.6	0	0	0	0	0	112.6	W206 Y207	G199-W206 WeakPolarHBondContact O-CZ3 3.34Å; G199-Y207 CarbonylContact C-O 3.58Å; G199-Y207 WeakPolarHBondContact CA-O 3.43Å
200	V	87.9	Confident	87.6	Confident	100 Å²	100	59.1 Å²	59.1	61%	0.606	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.3	179.2	-179.1	0	0	0	0	109.1	V202 Y207	V200-V202 HydrophobicContact CG1-CG2 4.46Å; V200-Y207 PolarHBondContact N-O 3.32Å; V200-Y207 PolarHBondContact O-N 3.19Å
201	Q	83.6	Confident	87.5	Confident	91 Å²	91	61.8 Å²	61.8	43%	0.425	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123	176.3	-168.4	-178.3	-13.2	0	0	110.3	Y164 N203 L205 W206	Y164-Q201 HydrophobicContact CE1-CG 4.47Å; Y164-Q201 PolarHBondContact OH-NE2 3.08Å; Q201-N203 PolarHBondContact NE2-O 3.36Å; Q201-L205 WeakPolarHBondContact CA-O 3.23Å; Q201-W206 HydrophobicContact CB-CD2 4.11Å; Q201-W206 HydrophobicContact CB-CE3 4.02Å; Q201-W206 HydrophobicContact CB-CH2 3.97Å; Q201-W206 HydrophobicContact CB-CZ2 4.04Å; Q201-W206 HydrophobicContact CB-CZ3 3.96Å; Q201-W206 HydrophobicContact CG-CD2 4.42Å; Q201-W206 HydrophobicContact CG-CZ2 4.25Å
202	V	79.3	Confident	87.3	Confident	51 Å²	51	67.7 Å²	67.7	31%	0.309	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.3	171.4	-176	0	0	0	0	106.5	V200 K204 L205 Y207	V200-V202 HydrophobicContact CG1-CG2 4.46Å; V202-K204 PolarHBondContact O-N 3.35Å; V202-L205 PolarHBondContact N-O 3.45Å; V202-L205 PolarHBondContact O-N 2.7Å; V202-Y207 HydrophobicContact CB-CD2 3.87Å; V202-Y207 HydrophobicContact CB-CE2 4.03Å; V202-Y207 HydrophobicContact CG2-CD2 4.1Å
203	N	75.8	Confident	86.9	Confident	118 Å²	118	64.4 Å²	64.4	63%	0.631	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-125.7	-173.7	-60.7	-41.6	0	0	0	112.2	E127 Q201	E127-N203 PolarHBondContact OE1-ND2 3.1Å; Q201-N203 PolarHBondContact NE2-O 3.36Å
204	K	75.1	Confident	86.8	Confident	90 Å²	90	68.8 Å²	68.8	39%	0.391	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	16.4	177.7	-67.2	-177.8	-176.8	172.9	0	113.2	L131 Y164 V202	L131-K204 HydrophobicContact CD1-CB 3.95Å; L131-K204 HydrophobicContact CD1-CD 4.32Å; Y164-K204 VanDerWaalsContact CD1-O 3.26Å; Y164-K204 WeakPolarHBondContact CD1-O 3.34Å; Y164-K204 VanDerWaalsContact CE1-C 3.5Å; Y164-K204 WeakPolarHBondContact CE1-O 3.5Å; V202-K204 PolarHBondContact O-N 3.35Å
205	L	85.3	Confident	86.9	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.3	-178.8	-69.3	98.9	0	0	0	111.7	F163 Q201 V202 Y207	F163-L205 HydrophobicContact CD1-CD1 4.36Å; F163-L205 HydrophobicContact CD1-CD2 3.7Å; F163-L205 HydrophobicContact CD1-CG 3.73Å; F163-L205 HydrophobicContact CE1-CD1 4.09Å; F163-L205 HydrophobicContact CE1-CD2 3.54Å; F163-L205 HydrophobicContact CE1-CG 3.83Å; Q201-L205 WeakPolarHBondContact CA-O 3.23Å; V202-L205 PolarHBondContact N-O 3.45Å; V202-L205 PolarHBondContact O-N 2.7Å; L205-Y207 HydrophobicContact CB-CD2 4.04Å; L205-Y207 HydrophobicContact CB-CE2 3.48Å; L205-Y207 VanDerWaalsContact CB-CE2 3.48Å; L205-Y207 HydrophobicContact CD2-CE1 4.45Å; L205-Y207 HydrophobicContact CD2-CE2 4.37Å; L205-Y207 HydrophobicContact CG-CE2 4.35Å
206	W	89.3	Confident	87.1	Confident	33 Å²	33	68.4 Å²	68.4	13%	0.125	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.2	167.2	-70.6	84.9	0	0	0	109	G161 V162 Y164 F171 F193 C198 G199 Q201	G161-W206 CarbonylContact C-O 3.59Å; G161-W206 WeakPolarHBondContact CA-O 3.4Å; V162-W206 HydrophobicContact CG2-CB 3.94Å; V162-W206 PolarHBondContact N-O 2.86Å; V162-W206 PolarHBondContact O-N 3.01Å; Y164-W206 AromaticContact CD1-CD1 3.26Å; Y164-W206 AromaticContact CD1-NE1 3.24Å; Y164-W206 AromaticContact CD2-NE1 3.84Å; Y164-W206 AromaticContact CE1-NE1 3.67Å; Y164-W206 AromaticContact CG-CD1 3.57Å; Y164-W206 AromaticContact CG-NE1 3.35Å; Y164-W206 VanDerWaalsContact CG-NE1 3.35Å; F171-W206 AromaticContact CD2-CD1 3.99Å; F171-W206 HydrophobicContact CD2-CG 4.26Å; F193-W206 HydrophobicContact CD1-CB 4.45Å; F193-W206 HydrophobicContact CE1-CB 4.22Å; F193-W206 WeakPolarHBondContact CE1-O 3.25Å; C198-W206 HydrophobicContact CB-CD2 4.36Å; C198-W206 HydrophobicContact CB-CE3 3.91Å; C198-W206 HydrophobicContact CB-CZ3 4.11Å; C198-W206 VanDerWaalsContact SG-CZ3 3.56Å; G199-W206 WeakPolarHBondContact O-CZ3 3.34Å; Q201-W206 HydrophobicContact CB-CD2 4.11Å; Q201-W206 HydrophobicContact CB-CE3 4.02Å; Q201-W206 HydrophobicContact CB-CH2 3.97Å; Q201-W206 HydrophobicContact CB-CZ2 4.04Å; Q201-W206 HydrophobicContact CB-CZ3 3.96Å; Q201-W206 HydrophobicContact CG-CD2 4.42Å; Q201-W206 HydrophobicContact CG-CZ2 4.25Å
207	Y	92.3	Very high	87.1	Confident	6 Å²	6	66.9 Å²	66.9	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.9	-179.5	-70.9	-81.2	0	0	0	112.1	E127 L160 G161 G199 V200 V202 L205 I276	E127-Y207 WeakPolarHBondContact OE2-CE2 3.33Å; E127-Y207 PolarHBondContact OE2-OH 3.38Å; L160-Y207 CarbonylContact O-C 3.57Å; L160-Y207 WeakPolarHBondContact O-CA 3.33Å; G161-Y207 VanDerWaalsContact CA-CD1 3.47Å; G199-Y207 CarbonylContact C-O 3.58Å; G199-Y207 WeakPolarHBondContact CA-O 3.43Å; V200-Y207 PolarHBondContact N-O 3.32Å; V200-Y207 PolarHBondContact O-N 3.19Å; V202-Y207 HydrophobicContact CB-CD2 3.87Å; V202-Y207 HydrophobicContact CB-CE2 4.03Å; V202-Y207 HydrophobicContact CG2-CD2 4.1Å; L205-Y207 HydrophobicContact CB-CD2 4.04Å; L205-Y207 HydrophobicContact CB-CE2 3.48Å; L205-Y207 VanDerWaalsContact CB-CE2 3.48Å; L205-Y207 HydrophobicContact CD2-CE1 4.45Å; L205-Y207 HydrophobicContact CD2-CE2 4.37Å; L205-Y207 HydrophobicContact CG-CE2 4.35Å; Y207-I276 HydrophobicContact CD1-CD1 3.83Å; Y207-I276 HydrophobicContact CD1-CG1 3.79Å; Y207-I276 HydrophobicContact CD2-CD1 3.92Å; Y207-I276 HydrophobicContact CE1-CD1 3.96Å; Y207-I276 HydrophobicContact CE1-CG1 3.55Å; Y207-I276 HydrophobicContact CE2-CD1 3.98Å; Y207-I276 HydrophobicContact CE2-CG1 4.3Å; Y207-I276 HydrophobicContact CG-CD1 3.81Å; Y207-I276 HydrophobicContact CG-CG1 4.29Å
208	K	93.8	Very high	86.8	Confident	28 Å²	28	65.5 Å²	65.5	12%	0.122	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.4	169.4	-79.4	-175.1	171.6	-155.7	0	110.1	S159 L160 A191 R192 F193 S197	S159-K208 CarbonylContact C-O 3.54Å; S159-K208 WeakPolarHBondContact CA-O 3.45Å; S159-K208 WeakPolarHBondContact CB-O 3.27Å; L160-K208 PolarHBondContact N-O 2.96Å; L160-K208 PolarHBondContact O-N 3.24Å; A191-K208 HydrophobicContact CB-CB 4.41Å; R192-K208 WeakPolarHBondContact O-CE 3.43Å; R192-K208 PolarHBondContact O-NZ 3.48Å; F193-K208 HydrophobicContact CD1-CD 4.06Å; F193-K208 HydrophobicContact CD1-CG 4.21Å; F193-K208 HydrophobicContact CD2-CD 4.49Å; F193-K208 HydrophobicContact CE1-CB 4.15Å; F193-K208 HydrophobicContact CE1-CD 3.9Å; F193-K208 HydrophobicContact CE1-CG 3.62Å; F193-K208 HydrophobicContact CE2-CD 4.33Å; F193-K208 HydrophobicContact CG-CD 4.35Å; F193-K208 HydrophobicContact CZ-CB 3.85Å; F193-K208 HydrophobicContact CZ-CD 4.03Å; F193-K208 HydrophobicContact CZ-CG 3.81Å; S197-K208 WeakPolarHBondContact O-CE 3.43Å; S197-K208 PolarHBondContact O-NZ 2.96Å; S197-K208 PolarHBondContact OG-NZ 2.91Å
209	P	93.3	Very high	86.8	Confident	108 Å²	108	64.7 Å²	64.7	70%	0.701	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.9	174	29	-34.4	0	0	0	109.9	T158	T158-P209 WeakPolarHBondContact O-CA 3.3Å
210	V	91.8	Very high	86.6	Confident	22 Å²	22	63.2 Å²	63.2	13%	0.133	33%	0.327	C	S	.	.			trans	-120.2	167.9	172.4	-66.9	0	0	0	0	110	I157 T158 L160 F189 A191 Q212	I157-V210 HydrophobicContact CG2-CG2 4.12Å; T158-V210 PolarHBondContact O-N 3.35Å; L160-V210 HydrophobicContact CB-CG1 4.24Å; L160-V210 HydrophobicContact CD1-CG1 3.84Å; L160-V210 HydrophobicContact CG-CG1 3.74Å; L160-V210 HydrophobicContact CG-CG2 4.42Å; F189-V210 HydrophobicContact CB-CG1 4.48Å; F189-V210 HydrophobicContact CD1-CB 4.41Å; F189-V210 HydrophobicContact CG-CB 4.48Å; A191-V210 HydrophobicContact CB-CG1 4.15Å; V210-Q212 PolarHBondContact O-N 3.16Å
211	E	88.4	Confident	86.5	Confident	140 Å²	140	58.5 Å²	58.5	65%	0.654	30%	0.299	S	S	*	.			trans	-61.9	133	171.5	-167.6	176.2	-173.7	0	0	109.5	F189 F213	F189-E211 HydrophobicContact CE1-CB 4.31Å; F189-E211 WeakPolarHBondContact CE1-O 3.48Å; E211-F213 HydrophobicContact CB-CD2 4.31Å; E211-F213 HydrophobicContact CB-CE2 3.77Å; E211-F213 HydrophobicContact CG-CD2 4.05Å; E211-F213 HydrophobicContact CG-CE2 3.37Å; E211-F213 HydrophobicContact CG-CZ 4.08Å
212	Q	87.4	Confident	86.7	Confident	131 Å²	131	55.1 Å²	55.1	61%	0.612	28%	0.284	S	S	*	.			trans	-89.9	113.4	-172.4	-68.1	-179.6	3	0	0	109.9	V156 V210	V156-Q212 HydrophobicContact CG1-CB 3.78Å; V156-Q212 HydrophobicContact CG1-CG 4.17Å; V210-Q212 PolarHBondContact O-N 3.16Å
213	F	85	Confident	87.2	Confident	99 Å²	99	52.7 Å²	52.7	43%	0.434	27%	0.269	S	S	.	.			trans	-119.9	148.7	169.5	-62.9	-111	0	0	0	110.2	F189 E211 L215	F189-F213 HydrophobicContact CD1-CD2 4.43Å; F189-F213 HydrophobicContact CD1-CE2 4.49Å; F189-F213 AromaticContact CE1-CD2 3.13Å; F189-F213 HydrophobicContact CE1-CD2 3.13Å; F189-F213 AromaticContact CE1-CE2 3.41Å; F189-F213 HydrophobicContact CE1-CE2 3.41Å; F189-F213 VanDerWaalsContact CE1-CE2 3.41Å; F189-F213 HydrophobicContact CE1-CG 4.14Å; F189-F213 HydrophobicContact CZ-CB 3.87Å; F189-F213 AromaticContact CZ-CD2 3.24Å; F189-F213 HydrophobicContact CZ-CD2 3.24Å; F189-F213 AromaticContact CZ-CE2 3.97Å; F189-F213 HydrophobicContact CZ-CE2 3.97Å; F189-F213 AromaticContact CZ-CG 3.83Å; F189-F213 HydrophobicContact CZ-CG 3.83Å; E211-F213 HydrophobicContact CB-CD2 4.31Å; E211-F213 HydrophobicContact CB-CE2 3.77Å; E211-F213 HydrophobicContact CG-CD2 4.05Å; E211-F213 HydrophobicContact CG-CE2 3.37Å; E211-F213 HydrophobicContact CG-CZ 4.08Å; F213-L215 PolarHBondContact O-N 3.14Å
214	I	90.3	Very high	87.9	Confident	96 Å²	96	47 Å²	47	49%	0.492	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.2	171.1	-58.6	171.6	0	0	0	107.4	P154 V156 P216 Q280	P154-I214 HydrophobicContact CB-CG2 4.16Å; V156-I214 HydrophobicContact CG2-CG1 3.94Å; I214-P216 WeakPolarHBondContact O-CD 3.42Å; I214-Q280 HydrophobicContact CD1-CG 4.36Å; I214-Q280 HydrophobicContact CG2-CG 4.37Å
215	L	92.3	Very high	88.7	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.2	168.3	-55.4	-174.3	0	0	0	107.4	F149 V151 P154 I155 I157 L179 F213 F219	F149-L215 HydrophobicContact CE2-CD1 4.33Å; F149-L215 HydrophobicContact CZ-CD1 4.29Å; V151-L215 HydrophobicContact CG2-CB 4.12Å; V151-L215 HydrophobicContact CG2-CD1 4.48Å; P154-L215 VanDerWaalsContact CA-O 3.29Å; P154-L215 WeakPolarHBondContact CA-O 3.16Å; I155-L215 HydrophobicContact CD1-CD1 4.39Å; I155-L215 HydrophobicContact CG1-CB 4.06Å; I155-L215 HydrophobicContact CG1-CD1 4.27Å; I155-L215 PolarHBondContact N-O 2.8Å; I155-L215 VanDerWaalsContact N-O 3.15Å; I155-L215 PolarHBondContact O-N 2.65Å; I157-L215 HydrophobicContact CD1-CD1 3.59Å; I157-L215 HydrophobicContact CG1-CD1 3.83Å; L179-L215 HydrophobicContact CD2-CD1 4.36Å; F213-L215 PolarHBondContact O-N 3.14Å; L215-F219 HydrophobicContact CB-CB 4.33Å; L215-F219 HydrophobicContact CB-CD1 4.07Å; L215-F219 HydrophobicContact CB-CG 4.1Å; L215-F219 HydrophobicContact CD1-CD1 3.96Å; L215-F219 HydrophobicContact CD1-CE1 3.86Å; L215-F219 HydrophobicContact CD2-CD1 4.25Å; L215-F219 HydrophobicContact CD2-CD2 4.32Å; L215-F219 HydrophobicContact CD2-CE1 4.02Å; L215-F219 HydrophobicContact CD2-CE2 4.09Å; L215-F219 HydrophobicContact CD2-CG 4.41Å; L215-F219 HydrophobicContact CD2-CZ 3.95Å; L215-F219 HydrophobicContact CG-CD1 4.33Å; L215-F219 HydrophobicContact CG-CE1 4.39Å
216	P	90.5	Very high	88.9	Confident	71 Å²	71	44.5 Å²	44.5	46%	0.461	23%	0.228	S	C	.	.			trans	-72.4	169.6	-175.2	30.3	-36.1	0	0	0	112.3	V151 I214 F219	V151-P216 WeakPolarHBondContact CG1-O 3.31Å; I214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-F219 HydrophobicContact CG-CB 4.26Å; P216-F219 WeakPolarHBondContact O-CB 3.18Å; P216-F219 PolarHBondContact O-N 3.2Å; P216-F219 VanDerWaalsContact O-N 3.1Å
217	E	85.9	Confident	88.9	Confident	89 Å²	89	43.7 Å²	43.7	42%	0.416	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	141.7	168.7	-175.5	-174.9	157.6	0	0	111.1	F219	E217-F219 PolarHBondContact O-N 3.37Å
218	S	82.1	Confident	88.3	Confident	31 Å²	31	49.6 Å²	49.6	22%	0.217	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	11.7	-174.3	-61.1	0	0	0	0	115	R150 V151 E220	R150-S218 PolarHBondContact NH2-OG 2.91Å; V151-S218 WeakPolarHBondContact O-CA 3.38Å; V151-S218 PolarHBondContact O-N 3.22Å; S218-E220 PolarHBondContact O-N 3.44Å
219	F	85.6	Confident	87.5	Confident	12 Å²	12	50.4 Å²	50.4	5%	0.053	26%	0.262	C	S	.	.			trans	-62.3	125.7	165.8	178	-89.6	0	0	0	109.6	F149 R150 V151 L179 Q181 L188 L215 P216 E217	F149-F219 HydrophobicContact CE2-CD1 4.48Å; F149-F219 HydrophobicContact CZ-CE1 4.27Å; R150-F219 CarbonylContact C-O 3.56Å; R150-F219 WeakPolarHBondContact CA-O 3.46Å; V151-F219 HydrophobicContact CB-CB 4.06Å; V151-F219 HydrophobicContact CG2-CB 4.04Å; V151-F219 HydrophobicContact CG2-CD1 3.92Å; V151-F219 HydrophobicContact CG2-CG 4.45Å; V151-F219 PolarHBondContact N-O 2.91Å; L179-F219 HydrophobicContact CD2-CZ 4.47Å; Q181-F219 HydrophobicContact CB-CE2 3.95Å; Q181-F219 HydrophobicContact CB-CZ 4.19Å; Q181-F219 HydrophobicContact CG-CD2 4.29Å; Q181-F219 HydrophobicContact CG-CE2 3.6Å; Q181-F219 HydrophobicContact CG-CZ 4.21Å; L188-F219 HydrophobicContact CD1-CE2 3.7Å; L188-F219 HydrophobicContact CD1-CZ 3.49Å; L188-F219 VanDerWaalsContact CD1-CZ 3.49Å; L215-F219 HydrophobicContact CB-CB 4.33Å; L215-F219 HydrophobicContact CB-CD1 4.07Å; L215-F219 HydrophobicContact CB-CG 4.1Å; L215-F219 HydrophobicContact CD1-CD1 3.96Å; L215-F219 HydrophobicContact CD1-CE1 3.86Å; L215-F219 HydrophobicContact CD2-CD1 4.25Å; L215-F219 HydrophobicContact CD2-CD2 4.32Å; L215-F219 HydrophobicContact CD2-CE1 4.02Å; L215-F219 HydrophobicContact CD2-CE2 4.09Å; L215-F219 HydrophobicContact CD2-CG 4.41Å; L215-F219 HydrophobicContact CD2-CZ 3.95Å; L215-F219 HydrophobicContact CG-CD1 4.33Å; L215-F219 HydrophobicContact CG-CE1 4.39Å; P216-F219 HydrophobicContact CG-CB 4.26Å; P216-F219 WeakPolarHBondContact O-CB 3.18Å; P216-F219 PolarHBondContact O-N 3.2Å; P216-F219 VanDerWaalsContact O-N 3.1Å; E217-F219 PolarHBondContact O-N 3.37Å
220	E	84.3	Confident	86.2	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.019	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.2	171.4	-71.2	-177.4	-169.7	0	0	109	F149 R150 A182 S218 I253 Q398	F149-E220 WeakPolarHBondContact O-CA 3.3Å; R150-E220 HydrophobicContact CB-CG 3.99Å; R150-E220 HydrophobicContact CG-CG 3.87Å; R150-E220 IonicContact NE-OE1 3.57Å; R150-E220 IonicContact NH1-OE1 3.55Å; A182-E220 HydrophobicContact CB-CB 4.07Å; A182-E220 PolarHBondContact N-O 2.83Å; S218-E220 PolarHBondContact O-N 3.44Å; E220-I253 HydrophobicContact CG-CD1 4.45Å; E220-Q398 PolarHBondContact OE1-NE2 2.93Å
221	G	86.2	Confident	85.1	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.2	-176.8	0	0	0	0	0	111.9	S148 F149 Y180	S148-G221 CarbonylContact C-O 3.55Å; S148-G221 VanDerWaalsContact CA-O 3.28Å; S148-G221 WeakPolarHBondContact CA-O 3.09Å; F149-G221 WeakPolarHBondContact CD1-O 3.22Å; F149-G221 PolarHBondContact N-O 2.83Å; F149-G221 PolarHBondContact O-N 3.3Å; Y180-G221 CarbonylContact O-C 2.94Å; Y180-G221 WeakPolarHBondContact O-CA 3.45Å
222	T	87.2	Confident	84.6	Confident	19 Å²	19	50.7 Å²	50.7	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.6	171.5	-59	0	0	0	0	109.4	V147 S148 Y180 V224	V147-T222 WeakPolarHBondContact O-CA 3.39Å; S148-T222 PolarHBondContact OG-OG1 3.35Å; Y180-T222 PolarHBondContact N-O 2.99Å; Y180-T222 PolarHBondContact O-N 3.15Å; T222-V224 HydrophobicContact CG2-CG2 4.02Å
223	I	90.5	Very high	84.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.9	171.6	-64.3	171.1	0	0	0	107.8	S146 V147 F149 V177 K178 L179 W225 F275	S146-I223 WeakPolarHBondContact CA-O 3.38Å; S146-I223 WeakPolarHBondContact CB-O 3.33Å; V147-I223 HydrophobicContact CG1-CB 4.24Å; V147-I223 PolarHBondContact N-O 2.96Å; V147-I223 PolarHBondContact O-N 2.99Å; F149-I223 HydrophobicContact CD1-CD1 4.48Å; F149-I223 HydrophobicContact CE1-CD1 3.91Å; F149-I223 HydrophobicContact CE1-CG1 3.94Å; V177-I223 HydrophobicContact CG1-CG2 3.76Å; K178-I223 CarbonylContact O-C 3.58Å; K178-I223 WeakPolarHBondContact O-CA 3.21Å; L179-I223 HydrophobicContact CD1-CD1 4.32Å; L179-I223 HydrophobicContact CD1-CG1 3.46Å; L179-I223 VanDerWaalsContact CD1-CG1 3.46Å; I223-W225 HydrophobicContact CB-CH2 4.15Å; I223-W225 HydrophobicContact CB-CZ3 4.36Å; I223-W225 HydrophobicContact CG2-CD2 4.12Å; I223-W225 HydrophobicContact CG2-CE3 4.15Å; I223-W225 HydrophobicContact CG2-CH2 3.6Å; I223-W225 HydrophobicContact CG2-CZ2 3.56Å; I223-W225 HydrophobicContact CG2-CZ3 3.92Å; I223-F275 HydrophobicContact CD1-CB 4.24Å; I223-F275 HydrophobicContact CD1-CD1 3.1Å; I223-F275 HydrophobicContact CD1-CE1 3.5Å; I223-F275 HydrophobicContact CD1-CG 3.84Å; I223-F275 HydrophobicContact CD1-CZ 4.5Å
224	V	89.9	Confident	84.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.1	179.4	-173.3	0	0	0	0	108.6	I144 V145 V177 K178 Y180 T222 E226 F264	I144-V224 HydrophobicContact CG2-CG1 3.73Å; V145-V224 WeakPolarHBondContact O-CA 3.15Å; V177-V224 CarbonylContact C-O 3.54Å; V177-V224 WeakPolarHBondContact CA-O 3.35Å; K178-V224 PolarHBondContact N-O 3.45Å; K178-V224 PolarHBondContact O-N 3.35Å; Y180-V224 HydrophobicContact CD2-CB 4.46Å; Y180-V224 HydrophobicContact CD2-CG2 3.78Å; Y180-V224 HydrophobicContact CE2-CB 4.15Å; Y180-V224 HydrophobicContact CE2-CG2 3.82Å; T222-V224 HydrophobicContact CG2-CG2 4.02Å; V224-E226 HydrophobicContact CG1-CG 3.88Å; V224-F264 HydrophobicContact CG2-CE2 4.46Å
225	W	91.7	Very high	84.1	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133	167.6	-64.3	-93.6	0	0	0	108.7	I144 V145 V147 G161 V177 I223 L233 V271 A272	I144-W225 WeakPolarHBondContact CA-O 3.43Å; V145-W225 HydrophobicContact CG1-CE3 4.26Å; V145-W225 PolarHBondContact N-O 3.46Å; V145-W225 PolarHBondContact O-N 2.92Å; V147-W225 HydrophobicContact CB-CZ3 4.31Å; V147-W225 HydrophobicContact CG1-CH2 3.63Å; V147-W225 HydrophobicContact CG1-CZ3 3.61Å; G161-W225 PolarHBondContact O-NE1 3.44Å; V177-W225 HydrophobicContact CG1-CG 4.33Å; V177-W225 VanDerWaalsContact CG2-CD1 3.41Å; V177-W225 HydrophobicContact CG2-CG 4.39Å; I223-W225 HydrophobicContact CB-CH2 4.15Å; I223-W225 HydrophobicContact CB-CZ3 4.36Å; I223-W225 HydrophobicContact CG2-CD2 4.12Å; I223-W225 HydrophobicContact CG2-CE3 4.15Å; I223-W225 HydrophobicContact CG2-CH2 3.6Å; I223-W225 HydrophobicContact CG2-CZ2 3.56Å; I223-W225 HydrophobicContact CG2-CZ3 3.92Å; W225-L233 HydrophobicContact CB-CD1 3.69Å; W225-L233 HydrophobicContact CB-CD2 4.36Å; W225-L233 WeakPolarHBondContact O-CD1 3.45Å; W225-V271 HydrophobicContact CH2-CG1 4.14Å; W225-A272 HydrophobicContact CB-CB 3.84Å; W225-A272 HydrophobicContact CD2-CB 4.02Å; W225-A272 HydrophobicContact CE3-CB 4.3Å; W225-A272 HydrophobicContact CG-CB 3.79Å
226	E	90.2	Very high	83.7	Confident	39 Å²	39	37.1 Å²	37.1	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.4	-179.6	-61.8	173.1	-166.5	0	0	109.9	I144 I175 T176 K178 V224	I144-E226 HydrophobicContact CG1-CG 4.33Å; I144-E226 HydrophobicContact CG2-CG 4.42Å; I175-E226 CarbonylContact C-O 3.54Å; I175-E226 WeakPolarHBondContact CA-O 3.42Å; T176-E226 PolarHBondContact N-O 3.08Å; T176-E226 PolarHBondContact O-N 2.99Å; K178-E226 WeakPolarHBondContact CE-OE2 3.38Å; K178-E226 IonicContact NZ-OE1 3.5Å; K178-E226 PolarHBondContact NZ-OE1 3.39Å; K178-E226 IonicContact NZ-OE2 3.46Å; K178-E226 PolarHBondContact NZ-OE2 3.22Å; V224-E226 HydrophobicContact CG1-CG 3.88Å
227	S	87.7	Confident	83.2	Confident	17 Å²	17	37.5 Å²	37.5	12%	0.119	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130	168.9	-174.4	0	0	0	0	110.1	R143 D229 H231	R143-S227 PolarHBondContact O-N 3.07Å; S227-D229 PolarHBondContact OG-N 3.22Å; S227-H231 PolarHBondContact OG-O 2.82Å
228	Q	80.1	Confident	83	Confident	129 Å²	129	33.8 Å²	33.8	60%	0.603	17%	0.174	S	C	*	.			trans	-89.4	-11.3	172.6	-64	-179.2	3.1	0	0	112.4	N174 T176	N174-Q228 HydrophobicContact CB-CB 4.23Å; N174-Q228 PolarHBondContact O-N 2.91Å; T176-Q228 PolarHBondContact OG1-NE2 3.11Å; T176-Q228 VanDerWaalsContact OG1-NE2 3.12Å
229	D	76.9	Confident	82.9	Confident	46 Å²	46	39.4 Å²	39.4	25%	0.246	20%	0.197	C	C	.	.	S	Bend	trans	-89	166.6	-178.1	-59.9	-34.2	0	0	0	111.6	R173 N174 S227 H231	R173-D229 WeakPolarHBondContact CA-OD2 3.42Å; N174-D229 PolarHBondContact N-OD2 3.33Å; N174-D229 PolarHBondContact ND2-OD1 3.11Å; S227-D229 PolarHBondContact OG-N 3.22Å; D229-H231 PolarHBondContact O-N 2.91Å
230	L	66.8	Low	82.6	Confident	156 Å²	156	44.4 Å²	44.4	82%	0.817	22%	0.218	S	C	*	.	S	Bend	trans	-64.5	-26.6	173.1	-72.3	170	0	0	0	112.7
231	H	68.8	Low	82.4	Confident	116 Å²	116	44.8 Å²	44.8	54%	0.537	22%	0.221	S	C	.	.	S	Bend	trans	-81.1	136.2	173.2	-65.1	-72.4	0	0	0	110	S227 D229	S227-H231 PolarHBondContact OG-O 2.82Å; D229-H231 PolarHBondContact O-N 2.91Å
232	G	77.3	Confident	82.5	Confident	4 Å²	4	48.5 Å²	48.5	4%	0.041	24%	0.244	C	C	.	.			trans	-70.4	-170.1	-177.7	0	0	0	0	0	113.8	R173	R173-G232 PolarHBondContact NH1-O 3.19Å
233	L	83.3	Confident	82.6	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	146.5	172.7	-63.1	164.6	0	0	0	109.5	E141 D142 R143 V145 I175 W225 S235 A272	E141-L233 WeakPolarHBondContact CA-O 3Å; D142-L233 WeakPolarHBondContact O-CA 3.22Å; D142-L233 WeakPolarHBondContact O-CB 3.22Å; D142-L233 WeakPolarHBondContact O-CG 3.42Å; D142-L233 PolarHBondContact O-N 2.71Å; R143-L233 WeakPolarHBondContact O-CD1 3.48Å; V145-L233 HydrophobicContact CB-CD1 4.07Å; V145-L233 HydrophobicContact CG2-CB 4.47Å; V145-L233 HydrophobicContact CG2-CD1 3.89Å; I175-L233 HydrophobicContact CB-CD2 4.35Å; I175-L233 HydrophobicContact CD1-CD2 3.81Å; I175-L233 HydrophobicContact CG1-CD2 3.84Å; I175-L233 HydrophobicContact CG2-CD2 3.65Å; W225-L233 HydrophobicContact CB-CD1 3.69Å; W225-L233 HydrophobicContact CB-CD2 4.36Å; W225-L233 WeakPolarHBondContact O-CD1 3.45Å; L233-S235 PolarHBondContact O-N 3.06Å; L233-S235 VanDerWaalsContact O-N 3.13Å; L233-A272 HydrophobicContact CB-CB 3.98Å; L233-A272 HydrophobicContact CD1-CB 4.21Å
234	V	84.6	Confident	82.7	Confident	10 Å²	10	53.5 Å²	53.5	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	101.4	167.7	178.9	0	0	0	0	107.6	L139 F163 D165 A272	L139-V234 HydrophobicContact CB-CG1 4.22Å; L139-V234 HydrophobicContact CD1-CG1 3.9Å; L139-V234 HydrophobicContact CD2-CG1 3.36Å; L139-V234 HydrophobicContact CG-CG1 3.99Å; F163-V234 HydrophobicContact CB-CB 4.22Å; F163-V234 HydrophobicContact CB-CG1 4.16Å; F163-V234 WeakPolarHBondContact CD2-O 3.38Å; D165-V234 HydrophobicContact CB-CG2 4.34Å; V234-A272 WeakPolarHBondContact O-CA 3.43Å
235	S	85	Confident	82.7	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.3	-174.4	81.9	0	0	0	0	113.6	S140 D142 L233 V271	S140-S235 WeakPolarHBondContact CB-OG 3.48Å; S140-S235 PolarHBondContact O-N 3.2Å; D142-S235 PolarHBondContact OD2-OG 2.94Å; L233-S235 PolarHBondContact O-N 3.06Å; L233-S235 VanDerWaalsContact O-N 3.13Å; S235-V271 CarbonylContact C-O 3.57Å; S235-V271 WeakPolarHBondContact CA-O 2.98Å
236	R	82.9	Confident	82.7	Confident	28 Å²	28	56.6 Å²	56.6	11%	0.106	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-130.5	143.5	176.1	-75.2	-78.6	-178.1	-120.7	18.1	109.9	L131 S135 S137 G138 F163 L238 V241 G270 V271	L131-R236 HydrophobicContact CD2-CG 4.07Å; S135-R236 PolarHBondContact O-NH2 3.29Å; S137-R236 PolarHBondContact O-NH1 3.47Å; S137-R236 PolarHBondContact O-NH2 3.05Å; G138-R236 PolarHBondContact O-NH1 3.06Å; F163-R236 HydrophobicContact CE2-CB 4.3Å; F163-R236 HydrophobicContact CE2-CG 4.25Å; R236-L238 PolarHBondContact O-N 2.79Å; R236-V241 HydrophobicContact CB-CG2 3.74Å; R236-G270 WeakPolarHBondContact O-CA 3.31Å; R236-V271 PolarHBondContact N-O 2.7Å; R236-V271 PolarHBondContact O-N 3.31Å
237	N	81.5	Confident	82.7	Confident	79 Å²	79	55.6 Å²	55.6	42%	0.422	29%	0.288	S	S	.	.			trans	-63.5	133.5	169.5	-177	-74.8	0	0	0	109.5	H239 K240	N237-H239 VanDerWaalsContact C-N 3.26Å; N237-H239 PolarHBondContact O-N 3.47Å; N237-H239 WeakPolarHBondContact OD1-CB 3.47Å; N237-H239 PolarHBondContact OD1-CD2 3.05Å; N237-H239 PolarHBondContact OD1-N 3.25Å; N237-K240 HydrophobicContact CB-CD 4.39Å; N237-K240 HydrophobicContact CB-CG 4.38Å; N237-K240 WeakPolarHBondContact O-CB 3.48Å; N237-K240 PolarHBondContact O-N 3.37Å
238	L	80.3	Confident	82.9	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.058	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.5	-175.6	179.3	61.4	0	0	0	113.2	F129 V147 R236 K240 V241 V252 T254 V271	F129-L238 HydrophobicContact CE1-CD1 3.94Å; V147-L238 HydrophobicContact CG2-CD1 4.13Å; V147-L238 HydrophobicContact CG2-CD2 4.15Å; R236-L238 PolarHBondContact O-N 2.79Å; L238-K240 PolarHBondContact O-N 2.97Å; L238-K240 VanDerWaalsContact O-N 3.12Å; L238-V241 PolarHBondContact O-N 3.26Å; L238-V252 HydrophobicContact CD1-CG1 3.96Å; L238-V252 HydrophobicContact CD2-CG1 3.65Å; L238-V252 HydrophobicContact CG-CG1 4.38Å; L238-T254 HydrophobicContact CD2-CG2 3.66Å; L238-V271 HydrophobicContact CB-CG2 4.49Å; L238-V271 HydrophobicContact CD1-CG2 3.57Å
239	H	79.9	Confident	83.6	Confident	150 Å²	150	49 Å²	49	69%	0.694	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-69.2	-8	177.8	-56	-60.9	0	0	0	114.2	N237	N237-H239 VanDerWaalsContact C-N 3.26Å; N237-H239 PolarHBondContact O-N 3.47Å; N237-H239 WeakPolarHBondContact OD1-CB 3.47Å; N237-H239 PolarHBondContact OD1-CD2 3.05Å; N237-H239 PolarHBondContact OD1-N 3.25Å
240	K	78.7	Confident	84.3	Confident	116 Å²	116	47 Å²	47	50%	0.504	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-106.5	2.3	178	-61.9	-175	176.4	-177.8	0	112.9	N237 L238	N237-K240 HydrophobicContact CB-CD 4.39Å; N237-K240 HydrophobicContact CB-CG 4.38Å; N237-K240 WeakPolarHBondContact O-CB 3.48Å; N237-K240 PolarHBondContact O-N 3.37Å; L238-K240 PolarHBondContact O-N 2.97Å; L238-K240 VanDerWaalsContact O-N 3.12Å
241	V	81.9	Confident	85.4	Confident	13 Å²	13	44 Å²	44	8%	0.079	22%	0.224	C	C	.	.	S	Bend	trans	-104.7	138.7	179.4	-179.9	0	0	0	0	108.8	F129 R236 L238 V243 V271	F129-V241 HydrophobicContact CB-CG1 3.85Å; F129-V241 HydrophobicContact CD1-CG1 3.84Å; F129-V241 HydrophobicContact CG-CG1 4.29Å; R236-V241 HydrophobicContact CB-CG2 3.74Å; L238-V241 PolarHBondContact O-N 3.26Å; V241-V243 PolarHBondContact O-N 3.45Å; V241-V271 HydrophobicContact CG2-CB 4.27Å; V241-V271 HydrophobicContact CG2-CG2 4.43Å
242	T	87	Confident	86.3	Confident	79 Å²	79	39.5 Å²	39.5	49%	0.485	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	117.3	172.1	-55.4	0	0	0	0	108.3	S130	S130-T242 PolarHBondContact N-O 2.86Å; S130-T242 PolarHBondContact O-N 2.81Å
243	V	89.9	Confident	86.4	Confident	58 Å²	58	40.5 Å²	40.5	35%	0.352	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.7	175.7	-177.4	0	0	0	0	108.8	A128 F129 V241 V252	A128-V243 WeakPolarHBondContact O-CA 3.38Å; F129-V243 HydrophobicContact CD1-CG2 4.06Å; F129-V243 HydrophobicContact CE1-CG1 4.5Å; F129-V243 HydrophobicContact CE1-CG2 3.92Å; V241-V243 PolarHBondContact O-N 3.45Å; V243-V252 HydrophobicContact CG1-CG2 3.66Å; V243-V252 HydrophobicContact CG2-CG2 4.29Å
244	N	91.9	Very high	85.7	Confident	66 Å²	66	42 Å²	42	35%	0.353	22%	0.219	S	C	.	.			trans	-101.9	104.5	168	-170	-14.4	0	0	0	108	I126 E127 A128 G246 Y277	I126-N244 HydrophobicContact CG2-CB 4.09Å; I126-N244 VanDerWaalsContact CG2-CG 3.45Å; I126-N244 WeakPolarHBondContact CG2-ND2 3.5Å; E127-N244 VanDerWaalsContact O-CB 3.31Å; E127-N244 WeakPolarHBondContact O-CB 3.28Å; A128-N244 PolarHBondContact O-N 2.83Å; N244-G246 VanDerWaalsContact C-N 3.28Å; N244-G246 PolarHBondContact OD1-N 3.34Å; N244-G246 VanDerWaalsContact OD1-N 3.11Å; N244-Y277 PolarHBondContact O-OH 3.42Å; N244-Y277 VanDerWaalsContact O-OH 3.04Å
245	D	91.5	Very high	84.3	Confident	65 Å²	65	44.9 Å²	44.9	35%	0.348	24%	0.243	S	C	.	.			trans	-88.7	6.8	-179.1	63.1	13.2	0	0	0	113.3	G247 G248 V249 L250 Y277	D245-G247 VanDerWaalsContact C-N 3.25Å; D245-G247 PolarHBondContact O-N 2.92Å; D245-G247 PolarHBondContact OD1-N 3.11Å; D245-G248 VanDerWaalsContact CG-N 3.25Å; D245-G248 PolarHBondContact O-N 3.28Å; D245-G248 PolarHBondContact OD1-N 3.36Å; D245-V249 WeakPolarHBondContact O-CG2 3.35Å; D245-V249 PolarHBondContact O-N 2.79Å; D245-L250 HydrophobicContact CB-CD1 4.15Å; D245-L250 HydrophobicContact CB-CG 4.34Å; D245-L250 VanDerWaalsContact CB-O 3.32Å; D245-L250 WeakPolarHBondContact CB-O 3.36Å; D245-L250 PolarHBondContact O-N 3.03Å; D245-Y277 PolarHBondContact O-OH 3.14Å
246	G	91.1	Very high	82.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	27.5	178.9	0	0	0	0	0	113.2	P120 V121 N244 Y277	P120-G246 WeakPolarHBondContact CA-O 3.39Å; V121-G246 PolarHBondContact N-O 3Å; N244-G246 VanDerWaalsContact C-N 3.28Å; N244-G246 PolarHBondContact OD1-N 3.34Å; N244-G246 VanDerWaalsContact OD1-N 3.11Å; G246-Y277 WeakPolarHBondContact CA-OH 3.33Å; G246-Y277 PolarHBondContact N-OH 2.91Å
247	G	90.4	Very high	80.9	Confident	18 Å²	18	52.8 Å²	52.8	19%	0.186	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	23.4	-177.3	0	0	0	0	0	113.7	I117 T118 N119 D245	I117-G247 WeakPolarHBondContact CA-O 3.12Å; I117-G247 WeakPolarHBondContact CG2-O 3.39Å; T118-G247 PolarHBondContact N-O 3.48Å; N119-G247 WeakPolarHBondContact O-CA 3.22Å; D245-G247 VanDerWaalsContact C-N 3.25Å; D245-G247 PolarHBondContact O-N 2.92Å; D245-G247 PolarHBondContact OD1-N 3.11Å
248	G	91.9	Very high	79.3	Confident	7 Å²	7	50.2 Å²	50.2	7%	0.072	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	11.8	179.5	0	0	0	0	0	115.5	I117 L152 D245 L250	I117-G248 WeakPolarHBondContact CG1-O 3.37Å; L152-G248 WeakPolarHBondContact CD1-O 3.38Å; D245-G248 VanDerWaalsContact CG-N 3.25Å; D245-G248 PolarHBondContact O-N 3.28Å; D245-G248 PolarHBondContact OD1-N 3.36Å; G248-L250 PolarHBondContact O-N 3.28Å
249	V	93.6	Very high	77.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.5	-178.5	-63.8	0	0	0	0	113.5	I117 L152 Y153 I155 D245 Y277 I279 L285	I117-V249 HydrophobicContact CD1-CG1 4.21Å; I117-V249 HydrophobicContact CG2-CG1 4.37Å; L152-V249 WeakPolarHBondContact CA-O 3.34Å; L152-V249 PolarHBondContact N-O 2.81Å; Y153-V249 PolarHBondContact N-O 3.09Å; Y153-V249 VanDerWaalsContact N-O 3.14Å; I155-V249 HydrophobicContact CG2-CB 4.42Å; I155-V249 HydrophobicContact CG2-CG2 3.99Å; D245-V249 WeakPolarHBondContact O-CG2 3.35Å; D245-V249 PolarHBondContact O-N 2.79Å; V249-Y277 HydrophobicContact CG2-CE2 3.92Å; V249-I279 HydrophobicContact CG1-CD1 3.88Å; V249-I279 HydrophobicContact CG1-CG1 4.43Å; V249-I279 HydrophobicContact CG1-CG2 4.43Å; V249-I279 HydrophobicContact CG2-CD1 4.1Å; V249-I279 HydrophobicContact CG2-CG1 4.12Å; V249-L285 HydrophobicContact CG1-CD2 3.85Å
250	L	92.1	Very high	75.8	Confident	3 Å²	3	48 Å²	48	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.4	169.6	67.1	82.9	0	0	0	110.5	R150 I155 D245 G248 V252 F275 Y277	R150-L250 CarbonylContact O-C 3.56Å; R150-L250 WeakPolarHBondContact O-CA 3.32Å; R150-L250 WeakPolarHBondContact O-CB 3.43Å; I155-L250 HydrophobicContact CD1-CD2 4.09Å; D245-L250 HydrophobicContact CB-CD1 4.15Å; D245-L250 HydrophobicContact CB-CG 4.34Å; D245-L250 VanDerWaalsContact CB-O 3.32Å; D245-L250 WeakPolarHBondContact CB-O 3.36Å; D245-L250 PolarHBondContact O-N 3.03Å; G248-L250 PolarHBondContact O-N 3.28Å; L250-V252 HydrophobicContact CD1-CG2 4.32Å; L250-F275 HydrophobicContact CD2-CE2 4.15Å; L250-F275 HydrophobicContact CD2-CZ 4.01Å; L250-Y277 HydrophobicContact CD2-CD1 4.25Å; L250-Y277 HydrophobicContact CD2-CD2 4.47Å; L250-Y277 HydrophobicContact CD2-CE1 3.63Å; L250-Y277 HydrophobicContact CD2-CE2 3.88Å; L250-Y277 VanDerWaalsContact CD2-CZ 3.4Å; L250-Y277 WeakPolarHBondContact CD2-OH 3.38Å
251	R	90.3	Very high	74.2	Confident	93 Å²	93	44.7 Å²	44.7	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.3	174.7	-175.6	-177.3	-63.6	159.3	5	108.9	E107 F149 R150 L152	E107-R251 IonicContact OE1-CZ 3.82Å; E107-R251 IonicContact OE1-NH1 2.68Å; E107-R251 PolarHBondContact OE1-NH1 2.93Å; E107-R251 IonicContact OE1-NH2 3.48Å; E107-R251 PolarHBondContact OE1-NH2 2.97Å; E107-R251 IonicContact OE2-CZ 3.63Å; E107-R251 IonicContact OE2-NH1 3.19Å; E107-R251 PolarHBondContact OE2-NH1 2.91Å; E107-R251 IonicContact OE2-NH2 3.94Å; E107-R251 PolarHBondContact OE2-NH2 2.67Å; F149-R251 CarbonylContact C-O 3.59Å; F149-R251 WeakPolarHBondContact CA-O 3.29Å; F149-R251 WeakPolarHBondContact CB-O 3.25Å; R150-R251 PolarHBondContact N-O 3.37Å; R150-R251 PolarHBondContact O-N 2.8Å; L152-R251 HydrophobicContact CD1-CB 4.29Å
252	V	87.9	Confident	72.5	Confident	22 Å²	22	49.7 Å²	49.7	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.6	172.1	-177.7	0	0	0	0	109	F129 V147 S148 L238 V243 L250	F129-V252 HydrophobicContact CE1-CG2 4.01Å; F129-V252 HydrophobicContact CZ-CG2 4.01Å; V147-V252 HydrophobicContact CG2-CG1 3.4Å; S148-V252 WeakPolarHBondContact O-CG1 3.29Å; L238-V252 HydrophobicContact CD1-CG1 3.96Å; L238-V252 HydrophobicContact CD2-CG1 3.65Å; L238-V252 HydrophobicContact CG-CG1 4.38Å; V243-V252 HydrophobicContact CG1-CG2 3.66Å; V243-V252 HydrophobicContact CG2-CG2 4.29Å; L250-V252 HydrophobicContact CD1-CG2 4.32Å
253	I	79.4	Confident	70.6	Confident	26 Å²	26	52.9 Å²	52.9	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.5	-179.6	-55.1	172	0	0	0	107.9	S148 R150 E220 E257	S148-I253 PolarHBondContact O-N 2.79Å; R150-I253 HydrophobicContact CB-CD1 4.18Å; R150-I253 HydrophobicContact CB-CG1 4.48Å; E220-I253 HydrophobicContact CG-CD1 4.45Å; I253-E257 WeakPolarHBondContact CG2-O 3.37Å
254	T	67.3	Low	68.8	Low	33 Å²	33	54.3 Å²	54.3	20%	0.202	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-103.6	154.9	176	67.2	0	0	0	0	111.1	L238 G256 E257 E269	L238-T254 HydrophobicContact CD2-CG2 3.66Å; T254-G256 PolarHBondContact O-N 2.85Å; T254-E257 PolarHBondContact O-N 3.07Å; T254-E269 WeakPolarHBondContact CA-OE1 3.24Å; T254-E269 WeakPolarHBondContact CB-OE1 3.43Å
255	A	55.2	Low	66.7	Low	69 Å²	69	57.5 Å²	57.5	57%	0.57	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.2	-175.4	0	0	0	0	0	114.6	E269	A255-E269 WeakPolarHBondContact CB-OE2 3.45Å; A255-E269 PolarHBondContact N-OE1 3.3Å
256	G	50	Low	64.9	Low	75 Å²	75	62.2 Å²	62.2	77%	0.773	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.3	172.3	0	0	0	0	0	115.2	T254	T254-G256 PolarHBondContact O-N 2.85Å
257	E	46.9	Very low	63.5	Low	126 Å²	126	63.5 Å²	63.5	59%	0.589	37%	0.368	S	S	*	.	S	Bend	trans	-111.2	82	-178.8	-69.4	-174.6	162.9	0	0	110.2	I253 T254	I253-E257 WeakPolarHBondContact CG2-O 3.37Å; T254-E257 PolarHBondContact O-N 3.07Å
258	G	47.6	Very low	62.8	Low	24 Å²	24	66 Å²	66	25%	0.247	38%	0.379	C	S	.	.	S	Bend	trans	84.4	73.8	173.3	0	0	0	0	0	113.8	L260	G258-L260 PolarHBondContact O-N 2.75Å
259	A	41.3	Very low	62.3	Low	66 Å²	66	69.2 Å²	69.2	55%	0.545	39%	0.392	S	S	.	.			trans	-50.8	106	176	0	0	0	0	0	111.6
260	L	46.7	Very low	61.9	Low	50 Å²	50	69.3 Å²	69.3	26%	0.262	39%	0.393	S	S	.	.			trans	-67.2	133.3	171.3	-72.6	168.2	0	0	0	109	G258 H262	G258-L260 PolarHBondContact O-N 2.75Å; L260-H262 VanDerWaalsContact C-N 3.25Å; L260-H262 PolarHBondContact O-N 2.92Å
261	P	43.7	Very low	61.7	Low	45 Å²	45	69.1 Å²	69.1	29%	0.292	39%	0.393	S	S	.	.	S	Bend	trans	-78.2	-5.3	-172.7	33	-38	0	0	0	113.8	E263	P261-E263 PolarHBondContact O-N 2.71Å
262	H	46.6	Very low	61.7	Low	119 Å²	119	64.8 Å²	64.8	55%	0.551	38%	0.377	S	S	*	.			trans	-86.1	77.2	168.8	-73	-63.1	0	0	0	109.6	L260 F264	L260-H262 VanDerWaalsContact C-N 3.25Å; L260-H262 PolarHBondContact O-N 2.92Å; H262-F264 PolarHBondContact O-N 2.98Å
263	E	47.9	Very low	61.8	Low	145 Å²	145	63.8 Å²	63.8	68%	0.678	37%	0.37	S	S	*	.			trans	-37.3	83.1	146.8	-93.9	-175.3	166.1	0	0	111.6	P261 L265	P261-E263 PolarHBondContact O-N 2.71Å; E263-L265 HydrophobicContact CB-CB 4.5Å; E263-L265 HydrophobicContact CB-CD1 3.92Å; E263-L265 HydrophobicContact CB-CG 3.64Å; E263-L265 HydrophobicContact CG-CD1 4.05Å; E263-L265 HydrophobicContact CG-CD2 4.09Å; E263-L265 HydrophobicContact CG-CG 3.65Å; E263-L265 PolarHBondContact O-N 3.3Å; E263-L265 WeakPolarHBondContact OE2-CD1 3.39Å
264	F	50.8	Low	62.3	Low	89 Å²	89	62.5 Å²	62.5	39%	0.39	36%	0.364	S	S	.	.			trans	-69.6	73	143.5	-77.9	-81.8	0	0	0	106	Y180 V224 H262 E266 G267	Y180-F264 HydrophobicContact CD2-CE2 4.48Å; Y180-F264 HydrophobicContact CD2-CZ 4.24Å; Y180-F264 HydrophobicContact CE1-CZ 4.41Å; Y180-F264 AromaticContact CE2-CZ 3.98Å; Y180-F264 HydrophobicContact CE2-CZ 3.98Å; V224-F264 HydrophobicContact CG2-CE2 4.46Å; H262-F264 PolarHBondContact O-N 2.98Å; F264-E266 PolarHBondContact O-N 2.99Å; F264-G267 PolarHBondContact O-N 3.33Å
265	L	48.8	Very low	63.5	Low	132 Å²	132	61 Å²	61	69%	0.691	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-2.3	-176.2	-93.8	159.8	0	0	0	114.6	E263	E263-L265 HydrophobicContact CB-CB 4.5Å; E263-L265 HydrophobicContact CB-CD1 3.92Å; E263-L265 HydrophobicContact CB-CG 3.64Å; E263-L265 HydrophobicContact CG-CD1 4.05Å; E263-L265 HydrophobicContact CG-CD2 4.09Å; E263-L265 HydrophobicContact CG-CG 3.65Å; E263-L265 PolarHBondContact O-N 3.3Å; E263-L265 WeakPolarHBondContact OE2-CD1 3.39Å
266	E	53.3	Low	65.4	Low	165 Å²	165	58.2 Å²	58.2	77%	0.771	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-3	180	-63.9	-170.3	163.4	0	0	113.8	I144 F264	I144-E266 HydrophobicContact CD1-CB 4.01Å; F264-E266 PolarHBondContact O-N 2.99Å
267	G	61.3	Low	67.5	Low	26 Å²	26	54.7 Å²	54.7	27%	0.268	29%	0.293	S	S	.	.			trans	-104.2	146.3	-176.5	0	0	0	0	0	115.2	I144 F264	I144-G267 WeakPolarHBondContact O-CA 3.32Å; F264-G267 PolarHBondContact O-N 3.33Å
268	V	76.8	Confident	69.8	Low	70 Å²	70	50.5 Å²	50.5	42%	0.424	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.6	172	-177.6	0	0	0	0	109.5	D142 I144 V145 S146 G270	D142-V268 HydrophobicContact CB-CB 4.36Å; D142-V268 HydrophobicContact CB-CG2 4.15Å; I144-V268 PolarHBondContact O-N 3.38Å; V145-V268 WeakPolarHBondContact CA-O 3.41Å; S146-V268 PolarHBondContact N-O 2.73Å; V268-G270 PolarHBondContact O-N 2.92Å
269	E	81.3	Confident	72.1	Confident	75 Å²	75	50.3 Å²	50.3	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	121.2	171.4	-175.7	-176.2	-168.1	0	0	110	T254 A255	T254-E269 WeakPolarHBondContact CA-OE1 3.24Å; T254-E269 WeakPolarHBondContact CB-OE1 3.43Å; A255-E269 WeakPolarHBondContact CB-OE2 3.45Å; A255-E269 PolarHBondContact N-OE1 3.3Å
270	G	85.3	Confident	74.6	Confident	2 Å²	2	50 Å²	50	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	170.9	-172	-177.8	0	0	0	0	0	112.1	V145 S146 R236 V268	V145-G270 WeakPolarHBondContact CG1-O 3.36Å; S146-G270 CarbonylContact C-O 3.54Å; S146-G270 PolarHBondContact O-N 3.14Å; S146-G270 VanDerWaalsContact O-O 3.1Å; R236-G270 WeakPolarHBondContact O-CA 3.31Å; V268-G270 PolarHBondContact O-N 2.92Å
271	V	88.1	Confident	76.8	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-125.8	125.5	-179.6	-176.2	0	0	0	0	108.1	F129 F163 W225 S235 R236 L238 V241 G273	F129-V271 HydrophobicContact CB-CG1 4.25Å; F129-V271 HydrophobicContact CD1-CG1 4.31Å; F129-V271 HydrophobicContact CD1-CG2 4.16Å; F129-V271 HydrophobicContact CD2-CG1 4.22Å; F129-V271 HydrophobicContact CE1-CG2 4.05Å; F129-V271 HydrophobicContact CG-CG1 4.01Å; F129-V271 HydrophobicContact CZ-CG2 4.42Å; F163-V271 HydrophobicContact CE2-CB 4.27Å; F163-V271 HydrophobicContact CE2-CG1 3.84Å; F163-V271 VanDerWaalsContact CE2-O 3.27Å; F163-V271 WeakPolarHBondContact CE2-O 3.07Å; F163-V271 HydrophobicContact CZ-CG1 3.82Å; W225-V271 HydrophobicContact CH2-CG1 4.14Å; S235-V271 CarbonylContact C-O 3.57Å; S235-V271 WeakPolarHBondContact CA-O 2.98Å; R236-V271 PolarHBondContact N-O 2.7Å; R236-V271 PolarHBondContact O-N 3.31Å; L238-V271 HydrophobicContact CB-CG2 4.49Å; L238-V271 HydrophobicContact CD1-CG2 3.57Å; V241-V271 HydrophobicContact CG2-CB 4.27Å; V241-V271 HydrophobicContact CG2-CG2 4.43Å; V271-G273 WeakPolarHBondContact CG1-O 3.46Å
272	A	88.7	Confident	79.1	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.017	26%	0.263	C	S	.	.	S	Bend	trans	-115.3	15.5	175.4	0	0	0	0	0	112.5	V145 F163 W225 L233 V234	V145-A272 HydrophobicContact CB-CB 3.96Å; V145-A272 HydrophobicContact CG1-CB 4.06Å; V145-A272 HydrophobicContact CG2-CB 4.25Å; F163-A272 PolarHBondContact N-O 2.88Å; W225-A272 HydrophobicContact CB-CB 3.84Å; W225-A272 HydrophobicContact CD2-CB 4.02Å; W225-A272 HydrophobicContact CE3-CB 4.3Å; W225-A272 HydrophobicContact CG-CB 3.79Å; L233-A272 HydrophobicContact CB-CB 3.98Å; L233-A272 HydrophobicContact CD1-CB 4.21Å; V234-A272 WeakPolarHBondContact O-CA 3.43Å
273	G	90.3	Very high	81.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-143.2	-177.7	0	0	0	0	0	111.9	G161 F163 V271	G161-G273 WeakPolarHBondContact O-CA 3.28Å; F163-G273 WeakPolarHBondContact CZ-O 3.03Å; V271-G273 WeakPolarHBondContact CG1-O 3.46Å
274	G	90.8	Very high	83.4	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	-173.3	175.3	0	0	0	0	0	112.6	G161	G161-G274 WeakPolarHBondContact CA-O 3.33Å; G161-G274 PolarHBondContact N-O 2.67Å; G161-G274 PolarHBondContact O-N 2.79Å; G161-G274 VanDerWaalsContact O-N 3.11Å
275	F	92.9	Very high	85.5	Confident	1 Å²	1	42 Å²	42	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.6	170.7	63.4	-87.1	0	0	0	109.5	A128 F129 F149 I157 S159 L160 I223 L250 Y277	A128-F275 HydrophobicContact CB-CD1 3.84Å; A128-F275 HydrophobicContact CB-CD2 3.98Å; A128-F275 HydrophobicContact CB-CE1 3.59Å; A128-F275 HydrophobicContact CB-CE2 3.72Å; A128-F275 HydrophobicContact CB-CG 4.06Å; A128-F275 HydrophobicContact CB-CZ 3.53Å; A128-F275 WeakPolarHBondContact CB-O 3.37Å; A128-F275 PolarHBondContact N-O 3.36Å; F129-F275 HydrophobicContact CD2-CD1 4.32Å; F129-F275 HydrophobicContact CD2-CE1 4.35Å; F129-F275 AromaticContact CE2-CD1 3.95Å; F129-F275 HydrophobicContact CE2-CD1 3.95Å; F129-F275 AromaticContact CE2-CE1 3.66Å; F129-F275 HydrophobicContact CE2-CE1 3.66Å; F129-F275 HydrophobicContact CZ-CE1 4.45Å; F149-F275 HydrophobicContact CE2-CZ 4.5Å; F149-F275 HydrophobicContact CZ-CZ 4.5Å; I157-F275 HydrophobicContact CD1-CD2 3.83Å; I157-F275 HydrophobicContact CD1-CE2 4.09Å; I157-F275 HydrophobicContact CD1-CG 4.35Å; I157-F275 HydrophobicContact CG1-CD2 3.9Å; I157-F275 HydrophobicContact CG1-CE2 4.24Å; I157-F275 HydrophobicContact CG2-CB 4.21Å; I157-F275 HydrophobicContact CG2-CD2 4.38Å; S159-F275 CarbonylContact O-C 3.58Å; S159-F275 VanDerWaalsContact O-CA 3.25Å; S159-F275 WeakPolarHBondContact O-CA 3.49Å; S159-F275 WeakPolarHBondContact O-CB 3.43Å; L160-F275 HydrophobicContact CD2-CB 3.79Å; I223-F275 HydrophobicContact CD1-CB 4.24Å; I223-F275 HydrophobicContact CD1-CD1 3.1Å; I223-F275 HydrophobicContact CD1-CE1 3.5Å; I223-F275 HydrophobicContact CD1-CG 3.84Å; I223-F275 HydrophobicContact CD1-CZ 4.5Å; L250-F275 HydrophobicContact CD2-CE2 4.15Å; L250-F275 HydrophobicContact CD2-CZ 4.01Å; F275-Y277 AromaticContact CD2-CD1 3.85Å; F275-Y277 HydrophobicContact CD2-CD1 3.85Å; F275-Y277 HydrophobicContact CD2-CG 4.41Å; F275-Y277 AromaticContact CE2-CD1 3.54Å; F275-Y277 HydrophobicContact CE2-CD1 3.54Å; F275-Y277 HydrophobicContact CE2-CE1 4.15Å; F275-Y277 HydrophobicContact CE2-CG 4.1Å
276	I	93.7	Very high	87.6	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.7	174.8	-59	179.2	0	0	0	107.6	E125 I126 E127 I157 T158 S159 Y207	E125-I276 HydrophobicContact CB-CG2 3.58Å; E125-I276 HydrophobicContact CG-CG2 3.94Å; I126-I276 VanDerWaalsContact O-CA 3.3Å; I126-I276 WeakPolarHBondContact O-CA 3.42Å; E127-I276 HydrophobicContact CG-CG1 4.27Å; I157-I276 CarbonylContact C-O 3.5Å; I157-I276 WeakPolarHBondContact CA-O 3.46Å; T158-I276 PolarHBondContact N-O 2.78Å; T158-I276 WeakPolarHBondContact OG1-CG2 3.38Å; T158-I276 PolarHBondContact OG1-O 2.66Å; S159-I276 PolarHBondContact N-O 3.08Å; S159-I276 PolarHBondContact O-N 3.44Å; Y207-I276 HydrophobicContact CD1-CD1 3.83Å; Y207-I276 HydrophobicContact CD1-CG1 3.79Å; Y207-I276 HydrophobicContact CD2-CD1 3.92Å; Y207-I276 HydrophobicContact CE1-CD1 3.96Å; Y207-I276 HydrophobicContact CE1-CG1 3.55Å; Y207-I276 HydrophobicContact CE2-CD1 3.98Å; Y207-I276 HydrophobicContact CE2-CG1 4.3Å; Y207-I276 HydrophobicContact CG-CD1 3.81Å; Y207-I276 HydrophobicContact CG-CG1 4.29Å
277	Y	94.8	Very high	89.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	163.6	178.1	70.3	-80.5	0	0	0	112.3	I126 A128 I155 V156 N244 D245 G246 V249 L250 F275	I126-Y277 HydrophobicContact CB-CD1 4.18Å; I126-Y277 HydrophobicContact CB-CE1 3.81Å; I126-Y277 HydrophobicContact CB-CE2 4.26Å; I126-Y277 HydrophobicContact CD1-CD2 4.31Å; I126-Y277 HydrophobicContact CD1-CE2 3.72Å; I126-Y277 HydrophobicContact CG2-CD1 4.48Å; I126-Y277 HydrophobicContact CG2-CE1 3.67Å; I126-Y277 HydrophobicContact CG2-CE2 4.5Å; I126-Y277 PolarHBondContact N-O 3.41Å; I126-Y277 WeakPolarHBondContact O-CD1 3.27Å; I126-Y277 PolarHBondContact O-N 3.21Å; A128-Y277 HydrophobicContact CB-CD1 4.12Å; A128-Y277 HydrophobicContact CB-CE1 3.83Å; I155-Y277 HydrophobicContact CB-CD2 3.93Å; I155-Y277 HydrophobicContact CD1-CD2 4.04Å; I155-Y277 HydrophobicContact CD1-CG 4.3Å; I155-Y277 HydrophobicContact CG2-CD2 3.8Å; I155-Y277 HydrophobicContact CG2-CE2 4.01Å; V156-Y277 CarbonylContact O-C 3.48Å; V156-Y277 WeakPolarHBondContact O-CA 3.21Å; V156-Y277 VanDerWaalsContact O-CB 3.29Å; V156-Y277 WeakPolarHBondContact O-CB 3.36Å; N244-Y277 PolarHBondContact O-OH 3.42Å; N244-Y277 VanDerWaalsContact O-OH 3.04Å; D245-Y277 PolarHBondContact O-OH 3.14Å; G246-Y277 WeakPolarHBondContact CA-OH 3.33Å; G246-Y277 PolarHBondContact N-OH 2.91Å; V249-Y277 HydrophobicContact CG2-CE2 3.92Å; L250-Y277 HydrophobicContact CD2-CD1 4.25Å; L250-Y277 HydrophobicContact CD2-CD2 4.47Å; L250-Y277 HydrophobicContact CD2-CE1 3.63Å; L250-Y277 HydrophobicContact CD2-CE2 3.88Å; L250-Y277 VanDerWaalsContact CD2-CZ 3.4Å; L250-Y277 WeakPolarHBondContact CD2-OH 3.38Å; F275-Y277 AromaticContact CD2-CD1 3.85Å; F275-Y277 HydrophobicContact CD2-CD1 3.85Å; F275-Y277 HydrophobicContact CD2-CG 4.41Å; F275-Y277 AromaticContact CE2-CD1 3.54Å; F275-Y277 HydrophobicContact CE2-CD1 3.54Å; F275-Y277 HydrophobicContact CE2-CE1 4.15Å; F275-Y277 HydrophobicContact CE2-CG 4.1Å
278	T	95.4	Very high	91	Very high	39 Å²	39	37.5 Å²	37.5	24%	0.239	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.1	172	58.3	0	0	0	0	110	E125 I155 V156 T158	E125-T278 HydrophobicContact CG-CG2 3.93Å; I155-T278 CarbonylContact C-O 3.58Å; I155-T278 VanDerWaalsContact CA-O 3.3Å; I155-T278 WeakPolarHBondContact CA-O 3.31Å; I155-T278 WeakPolarHBondContact CB-O 3.34Å; V156-T278 PolarHBondContact N-O 3.49Å; V156-T278 PolarHBondContact O-N 2.92Å; T158-T278 HydrophobicContact CG2-CG2 4.26Å
279	I	95.3	Very high	91.8	Very high	19 Å²	19	35.1 Å²	35.1	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.1	175.2	-53.3	-178.6	0	0	0	108.4	P120 V121 I126 Y153 V249 L285	P120-I279 HydrophobicContact CB-CD1 3.81Å; V121-I279 WeakPolarHBondContact O-CD1 3.39Å; I126-I279 HydrophobicContact CD1-CD1 4.22Å; I126-I279 HydrophobicContact CD1-CG1 3.99Å; Y153-I279 HydrophobicContact CD1-CG2 3.85Å; Y153-I279 HydrophobicContact CE1-CG2 4.06Å; V249-I279 HydrophobicContact CG1-CD1 3.88Å; V249-I279 HydrophobicContact CG1-CG1 4.43Å; V249-I279 HydrophobicContact CG1-CG2 4.43Å; V249-I279 HydrophobicContact CG2-CD1 4.1Å; V249-I279 HydrophobicContact CG2-CG1 4.12Å; I279-L285 HydrophobicContact CG2-CD2 4.29Å
280	Q	94.8	Very high	92.5	Very high	60 Å²	60	37.8 Å²	37.8	28%	0.28	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	128.8	176.7	179.4	63.3	19	0	0	109.1	Y153 P154 V156 I214 G282	Y153-Q280 VanDerWaalsContact CE1-O 3.23Å; Y153-Q280 WeakPolarHBondContact CE1-O 3.46Å; P154-Q280 HydrophobicContact CB-CB 4.02Å; P154-Q280 HydrophobicContact CB-CG 4.44Å; P154-Q280 WeakPolarHBondContact O-CB 3.32Å; P154-Q280 PolarHBondContact O-N 3.25Å; V156-Q280 HydrophobicContact CG2-CB 4.48Å; I214-Q280 HydrophobicContact CD1-CG 4.36Å; I214-Q280 HydrophobicContact CG2-CG 4.37Å; Q280-G282 VanDerWaalsContact C-N 3.28Å; Q280-G282 PolarHBondContact O-N 3.42Å
281	E	92.9	Very high	93	Very high	133 Å²	133	39.9 Å²	39.9	62%	0.621	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	37.7	178.7	-62.5	179.5	-114.6	0	0	114.6	D283 A284 L285	E281-D283 PolarHBondContact O-N 3.44Å; E281-D283 VanDerWaalsContact O-N 3.08Å; E281-A284 HydrophobicContact CB-CB 4.26Å; E281-A284 WeakPolarHBondContact O-CB 3.46Å; E281-A284 PolarHBondContact O-N 3.11Å; E281-L285 PolarHBondContact O-N 3.17Å
282	G	91.9	Very high	93.3	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-30.4	-176.1	0	0	0	0	0	115.4	L122 Q280 A284 L285 L286	L122-G282 VanDerWaalsContact CD2-O 3.29Å; L122-G282 WeakPolarHBondContact CD2-O 3.49Å; Q280-G282 VanDerWaalsContact C-N 3.28Å; Q280-G282 PolarHBondContact O-N 3.42Å; G282-A284 VanDerWaalsContact C-N 3.32Å; G282-A284 PolarHBondContact O-N 3.41Å; G282-L285 WeakPolarHBondContact O-CB 3.43Å; G282-L285 PolarHBondContact O-N 3.3Å; G282-L286 PolarHBondContact O-N 2.91Å
283	D	92.4	Very high	93.6	Very high	87 Å²	87	45.8 Å²	45.8	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-38.2	174.3	-67.4	-44.9	0	0	0	111.9	E281 L286 H287	E281-D283 PolarHBondContact O-N 3.44Å; E281-D283 VanDerWaalsContact O-N 3.08Å; D283-L286 PolarHBondContact O-N 3.03Å; D283-H287 PolarHBondContact O-CD2 2.91Å; D283-H287 PolarHBondContact O-N 2.91Å
284	A	93	Very high	94	Very high	47 Å²	47	51.1 Å²	51.1	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-40.5	175.9	0	0	0	0	0	111.3	E281 G282 H287 S288	E281-A284 HydrophobicContact CB-CB 4.26Å; E281-A284 WeakPolarHBondContact O-CB 3.46Å; E281-A284 PolarHBondContact O-N 3.11Å; G282-A284 VanDerWaalsContact C-N 3.32Å; G282-A284 PolarHBondContact O-N 3.41Å; A284-H287 PolarHBondContact O-N 3.09Å; A284-S288 WeakPolarHBondContact O-CB 3.42Å; A284-S288 PolarHBondContact O-N 3.14Å
285	L	92.9	Very high	94.2	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-49.3	171.7	176.8	57.8	0	0	0	111.2	I117 P120 Y153 V249 I279 E281 G282 H287 S288 L289	I117-L285 HydrophobicContact CD1-CD1 4.36Å; I117-L285 HydrophobicContact CG2-CD1 4.33Å; I117-L285 HydrophobicContact CG2-CD2 4.09Å; I117-L285 HydrophobicContact CG2-CG 4.5Å; P120-L285 HydrophobicContact CB-CD2 3.65Å; P120-L285 HydrophobicContact CB-CG 4.33Å; P120-L285 HydrophobicContact CG-CD2 4.07Å; P120-L285 HydrophobicContact CG-CG 4.2Å; Y153-L285 HydrophobicContact CD1-CB 4.35Å; Y153-L285 HydrophobicContact CD1-CD2 3.68Å; Y153-L285 HydrophobicContact CD1-CG 4.43Å; Y153-L285 HydrophobicContact CD2-CD1 3.83Å; Y153-L285 HydrophobicContact CD2-CD2 4.35Å; Y153-L285 HydrophobicContact CD2-CG 4.5Å; Y153-L285 HydrophobicContact CE1-CB 3.72Å; Y153-L285 HydrophobicContact CE1-CD2 3.9Å; Y153-L285 HydrophobicContact CE1-CG 4.27Å; Y153-L285 HydrophobicContact CE2-CB 4.12Å; Y153-L285 HydrophobicContact CE2-CD1 3.85Å; Y153-L285 HydrophobicContact CE2-CG 4.39Å; Y153-L285 HydrophobicContact CG-CD1 4.21Å; Y153-L285 HydrophobicContact CG-CD2 3.89Å; V249-L285 HydrophobicContact CG1-CD2 3.85Å; I279-L285 HydrophobicContact CG2-CD2 4.29Å; E281-L285 PolarHBondContact O-N 3.17Å; G282-L285 WeakPolarHBondContact O-CB 3.43Å; G282-L285 PolarHBondContact O-N 3.3Å; L285-H287 VanDerWaalsContact C-N 3.34Å; L285-H287 PolarHBondContact O-N 2.88Å; L285-S288 WeakPolarHBondContact O-CA 3.4Å; L285-S288 WeakPolarHBondContact O-CB 3.26Å; L285-S288 PolarHBondContact O-N 3.19Å; L285-S288 VanDerWaalsContact O-N 3.1Å; L285-L289 HydrophobicContact CD1-CD1 4.27Å; L285-L289 HydrophobicContact CD1-CD2 4.45Å; L285-L289 HydrophobicContact CD1-CG 4.13Å; L285-L289 HydrophobicContact CG-CD1 4.17Å; L285-L289 HydrophobicContact CG-CG 4.44Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.03Å
286	L	93.6	Very high	94.4	Very high	52 Å²	52	57 Å²	57	27%	0.272	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-43.8	179.4	-176.4	64.9	0	0	0	111.8	P120 L122 G282 D283 S288 L289 H290	P120-L286 HydrophobicContact CG-CB 4.47Å; P120-L286 HydrophobicContact CG-CD1 4.4Å; L122-L286 HydrophobicContact CD1-CB 4.31Å; L122-L286 HydrophobicContact CD1-CD2 3.74Å; G282-L286 PolarHBondContact O-N 2.91Å; D283-L286 PolarHBondContact O-N 3.03Å; L286-S288 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 2.82Å; L286-L289 PolarHBondContact O-N 2.8Å; L286-H290 PolarHBondContact O-N 3.34Å
287	H	93.5	Very high	94.6	Very high	137 Å²	137	60.7 Å²	60.7	63%	0.634	32%	0.322	S	S	*	.	H	α-helix	trans	-60.9	-39.9	173.8	-82.3	-64.2	0	0	0	112.7	D283 A284 L285 H290 S291	D283-H287 PolarHBondContact O-CD2 2.91Å; D283-H287 PolarHBondContact O-N 2.91Å; A284-H287 PolarHBondContact O-N 3.09Å; L285-H287 VanDerWaalsContact C-N 3.34Å; L285-H287 PolarHBondContact O-N 2.88Å; H287-H290 PolarHBondContact O-N 2.82Å; H287-S291 PolarHBondContact O-N 3.17Å; H287-S291 PolarHBondContact O-OG 2.7Å
288	S	93.2	Very high	94.8	Very high	40 Å²	40	62.9 Å²	62.9	28%	0.28	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-44.9	174.1	-177	0	0	0	0	111.4	A284 L285 L286 H290 S291 R292 R295	A284-S288 WeakPolarHBondContact O-CB 3.42Å; A284-S288 PolarHBondContact O-N 3.14Å; L285-S288 WeakPolarHBondContact O-CA 3.4Å; L285-S288 WeakPolarHBondContact O-CB 3.26Å; L285-S288 PolarHBondContact O-N 3.19Å; L285-S288 VanDerWaalsContact O-N 3.1Å; L286-S288 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 2.82Å; S288-H290 PolarHBondContact O-N 3.2Å; S288-S291 WeakPolarHBondContact CA-OG 3.26Å; S288-S291 PolarHBondContact O-N 3.49Å; S288-S291 PolarHBondContact O-OG 3.35Å; S288-R292 PolarHBondContact O-N 3.28Å; S288-R295 PolarHBondContact O-NH1 3.14Å; S288-R295 VanDerWaalsContact O-NH1 3.08Å; S288-R295 PolarHBondContact O-NH2 2.85Å; S288-R295 PolarHBondContact OG-NH2 2.77Å
289	L	93.7	Very high	94.9	Very high	20 Å²	20	62.8 Å²	62.8	11%	0.105	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-40.4	177.7	-65.7	175.1	0	0	0	112.1	I117 P120 L285 L286 S291 R292	I117-L289 HydrophobicContact CB-CD2 4.36Å; I117-L289 HydrophobicContact CG2-CD1 3.86Å; I117-L289 HydrophobicContact CG2-CD2 4.42Å; I117-L289 WeakPolarHBondContact O-CD2 3.01Å; P120-L289 HydrophobicContact CG-CD1 3.96Å; L285-L289 HydrophobicContact CD1-CD1 4.27Å; L285-L289 HydrophobicContact CD1-CD2 4.45Å; L285-L289 HydrophobicContact CD1-CG 4.13Å; L285-L289 HydrophobicContact CG-CD1 4.17Å; L285-L289 HydrophobicContact CG-CG 4.44Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.03Å; L286-L289 PolarHBondContact O-N 2.8Å; L289-S291 VanDerWaalsContact C-N 3.27Å; L289-S291 PolarHBondContact O-N 2.79Å; L289-R292 VanDerWaalsContact CD2-CZ 3.41Å; L289-R292 WeakPolarHBondContact O-CB 3.24Å; L289-R292 PolarHBondContact O-N 2.81Å
290	H	94.9	Very high	95	Very high	132 Å²	132	64.3 Å²	64.3	61%	0.611	34%	0.339	S	S	*	.	H	α-helix	trans	-64.1	-29.9	176.1	-71.2	168.7	0	0	0	113.5	L286 H287 S288 P293	L286-H290 PolarHBondContact O-N 3.34Å; H287-H290 PolarHBondContact O-N 2.82Å; S288-H290 PolarHBondContact O-N 3.2Å; H290-P293 WeakPolarHBondContact O-CD 3.1Å
291	S	95.3	Very high	95.1	Very high	46 Å²	46	67.4 Å²	67.4	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-86.7	-6.8	178.9	44	0	0	0	0	113.8	H287 S288 L289 Q294 R295	H287-S291 PolarHBondContact O-N 3.17Å; H287-S291 PolarHBondContact O-OG 2.7Å; S288-S291 WeakPolarHBondContact CA-OG 3.26Å; S288-S291 PolarHBondContact O-N 3.49Å; S288-S291 PolarHBondContact O-OG 3.35Å; L289-S291 VanDerWaalsContact C-N 3.27Å; L289-S291 PolarHBondContact O-N 2.79Å; S291-Q294 PolarHBondContact O-N 3.5Å; S291-R295 PolarHBondContact O-N 2.96Å; S291-R295 PolarHBondContact OG-NH1 3.26Å
292	R	95.2	Very high	95.3	Very high	41 Å²	41	65 Å²	65	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	-54.7	-44.5	179.7	-176.3	173.1	-71.1	176.2	-7.3	114.4	D105 L115 I117 S288 L289 Q294 R295 L296	D105-R292 IonicContact OD1-CZ 3.48Å; D105-R292 IonicContact OD1-NE 2.75Å; D105-R292 PolarHBondContact OD1-NE 2.74Å; D105-R292 IonicContact OD1-NH2 3.66Å; D105-R292 PolarHBondContact OD1-NH2 2.62Å; D105-R292 VanDerWaalsContact OD1-NH2 3.1Å; L115-R292 PolarHBondContact O-NH1 3.06Å; I117-R292 PolarHBondContact O-NH1 2.93Å; S288-R292 PolarHBondContact O-N 3.28Å; L289-R292 VanDerWaalsContact CD2-CZ 3.41Å; L289-R292 WeakPolarHBondContact O-CB 3.24Å; L289-R292 PolarHBondContact O-N 2.81Å; R292-Q294 VanDerWaalsContact C-N 3.33Å; R292-Q294 PolarHBondContact O-N 3.2Å; R292-R295 PolarHBondContact O-N 3.39Å; R292-L296 WeakPolarHBondContact O-CB 3.4Å; R292-L296 PolarHBondContact O-N 3.4Å
293	P	95.9	Very high	95.6	Very high	84 Å²	84	65.8 Å²	65.8	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-37.9	179.2	-23.9	35.5	0	0	0	113.5	H290 T297	H290-P293 WeakPolarHBondContact O-CD 3.1Å; P293-T297 PolarHBondContact O-N 3.06Å; P293-T297 VanDerWaalsContact O-N 3.16Å; P293-T297 PolarHBondContact O-OG1 2.97Å
294	Q	96.9	Very high	95.8	Very high	113 Å²	113	67.5 Å²	67.5	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-70.1	-47.4	177.3	-177.6	59.7	41	0	0	110.6	S291 R292 L296 T297 D298	S291-Q294 PolarHBondContact O-N 3.5Å; R292-Q294 VanDerWaalsContact C-N 3.33Å; R292-Q294 PolarHBondContact O-N 3.2Å; Q294-L296 VanDerWaalsContact C-N 3.29Å; Q294-L296 PolarHBondContact O-N 2.92Å; Q294-T297 PolarHBondContact O-N 3.31Å; Q294-T297 VanDerWaalsContact O-N 3.1Å; Q294-D298 PolarHBondContact NE2-OD1 3.07Å; Q294-D298 PolarHBondContact NE2-OD2 3.12Å; Q294-D298 PolarHBondContact O-N 3.11Å
295	R	96.6	Very high	96.1	Very high	48 Å²	48	70.3 Å²	70.3	18%	0.181	35%	0.352	C	S	.	.	H	α-helix	trans	-55.1	-44.7	174.8	-78.9	-161.6	-59.7	-82.7	-0.1	112.1	P102 D105 S288 S291 R292 T297 D298 H299	P102-R295 HydrophobicContact CG-CB 4.41Å; D105-R295 IonicContact OD1-CZ 2.91Å; D105-R295 IonicContact OD1-NE 3.25Å; D105-R295 IonicContact OD1-NH2 3.62Å; D105-R295 PolarHBondContact OD1-NH2 3.01Å; D105-R295 IonicContact OD2-CZ 2.77Å; D105-R295 IonicContact OD2-NE 2.94Å; D105-R295 PolarHBondContact OD2-NE 3.32Å; D105-R295 IonicContact OD2-NH2 3.88Å; D105-R295 PolarHBondContact OD2-NH2 3.14Å; S288-R295 PolarHBondContact O-NH1 3.14Å; S288-R295 VanDerWaalsContact O-NH1 3.08Å; S288-R295 PolarHBondContact O-NH2 2.85Å; S288-R295 PolarHBondContact OG-NH2 2.77Å; S291-R295 PolarHBondContact O-N 2.96Å; S291-R295 PolarHBondContact OG-NH1 3.26Å; R292-R295 PolarHBondContact O-N 3.39Å; R295-T297 VanDerWaalsContact C-N 3.34Å; R295-T297 PolarHBondContact O-N 3.48Å; R295-D298 PolarHBondContact O-N 3.42Å; R295-H299 WeakPolarHBondContact O-CB 3.21Å; R295-H299 PolarHBondContact O-N 3.44Å
296	L	96.9	Very high	96.3	Very high	77 Å²	77	72 Å²	72	40%	0.403	36%	0.359	S	S	.	.	H	α-helix	trans	-58.6	-47.2	176.7	179.3	62.4	0	0	0	111.1	E100 R292 Q294 D298 H299 I300	E100-L296 WeakPolarHBondContact O-CD1 3.45Å; R292-L296 WeakPolarHBondContact O-CB 3.4Å; R292-L296 PolarHBondContact O-N 3.4Å; Q294-L296 VanDerWaalsContact C-N 3.29Å; Q294-L296 PolarHBondContact O-N 2.92Å; L296-D298 PolarHBondContact O-N 3.23Å; L296-H299 PolarHBondContact O-N 2.93Å; L296-I300 HydrophobicContact CD1-CD1 4.33Å; L296-I300 HydrophobicContact CD1-CG1 4.04Å; L296-I300 HydrophobicContact CG-CG1 4.46Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.06Å; L296-I300 PolarHBondContact O-N 3.42Å
297	T	97.9	Very high	96.5	Very high	87 Å²	87	71.7 Å²	71.7	53%	0.534	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-46.1	179.9	-56.4	0	0	0	0	111.8	P293 Q294 R295 R301	P293-T297 PolarHBondContact O-N 3.06Å; P293-T297 VanDerWaalsContact O-N 3.16Å; P293-T297 PolarHBondContact O-OG1 2.97Å; Q294-T297 PolarHBondContact O-N 3.31Å; Q294-T297 VanDerWaalsContact O-N 3.1Å; R295-T297 VanDerWaalsContact C-N 3.34Å; R295-T297 PolarHBondContact O-N 3.48Å; T297-R301 PolarHBondContact O-N 2.74Å
298	D	97.8	Very high	96.7	Very high	47 Å²	47	67.8 Å²	67.8	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-66.2	-39.1	178	-71.4	-42.3	0	0	0	111.9	Q294 R295 L296 R301 N302	Q294-D298 PolarHBondContact NE2-OD1 3.07Å; Q294-D298 PolarHBondContact NE2-OD2 3.12Å; Q294-D298 PolarHBondContact O-N 3.11Å; R295-D298 PolarHBondContact O-N 3.42Å; L296-D298 PolarHBondContact O-N 3.23Å; D298-R301 PolarHBondContact O-N 3.32Å; D298-R301 IonicContact OD1-CZ 3.69Å; D298-R301 VanDerWaalsContact OD1-CZ 3.25Å; D298-R301 IonicContact OD1-NH1 2.77Å; D298-R301 PolarHBondContact OD1-NH1 2.73Å; D298-R301 IonicContact OD1-NH2 3.37Å; D298-R301 PolarHBondContact OD1-NH2 3.36Å; D298-N302 PolarHBondContact O-N 2.83Å; D298-N302 PolarHBondContact O-ND2 3.36Å; D298-N302 PolarHBondContact O-OD1 3.16Å
299	H	97.5	Very high	96.9	Very high	36 Å²	36	71.3 Å²	71.3	17%	0.167	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-47.3	177.6	-178.6	71.8	0	0	0	112.4	C99 E100 P102 R295 L296 R301 N302 L303	C99-H299 PolarHBondContact O-NE2 3.1Å; E100-H299 PolarHBondContact O-CD2 3.1Å; E100-H299 VanDerWaalsContact O-CD2 3.29Å; P102-H299 HydrophobicContact CB-CB 4.33Å; P102-H299 HydrophobicContact CG-CB 3.77Å; R295-H299 WeakPolarHBondContact O-CB 3.21Å; R295-H299 PolarHBondContact O-N 3.44Å; L296-H299 PolarHBondContact O-N 2.93Å; H299-R301 VanDerWaalsContact C-N 3.28Å; H299-R301 PolarHBondContact O-N 2.92Å; H299-N302 PolarHBondContact O-N 3.13Å; H299-N302 VanDerWaalsContact O-N 3.12Å; H299-L303 WeakPolarHBondContact O-CG 3.36Å; H299-L303 PolarHBondContact O-N 3.45Å
300	I	97.9	Very high	97.1	Very high	52 Å²	52	70.5 Å²	70.5	27%	0.267	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-38.6	176.8	-65	-58	0	0	0	111.2	E100 L296 L303 H304	E100-I300 HydrophobicContact CB-CD1 4Å; E100-I300 HydrophobicContact CG-CD1 4.19Å; L296-I300 HydrophobicContact CD1-CD1 4.33Å; L296-I300 HydrophobicContact CD1-CG1 4.04Å; L296-I300 HydrophobicContact CG-CG1 4.46Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.06Å; L296-I300 PolarHBondContact O-N 3.42Å; I300-L303 HydrophobicContact CD1-CD1 4.1Å; I300-L303 PolarHBondContact O-N 3.27Å; I300-H304 PolarHBondContact O-CD2 2.8Å; I300-H304 VanDerWaalsContact O-CD2 3.23Å; I300-H304 PolarHBondContact O-N 2.73Å; I300-H304 VanDerWaalsContact O-N 3.09Å
301	R	97.9	Very high	97.2	Very high	124 Å²	124	71 Å²	71	47%	0.468	36%	0.36	S	S	.	.	H	α-helix	trans	-59.8	-48.1	172.9	-177.2	-178.2	64.5	-126.8	-10.6	111.3	T297 D298 H299 L303 H304 E305	T297-R301 PolarHBondContact O-N 2.74Å; D298-R301 PolarHBondContact O-N 3.32Å; D298-R301 IonicContact OD1-CZ 3.69Å; D298-R301 VanDerWaalsContact OD1-CZ 3.25Å; D298-R301 IonicContact OD1-NH1 2.77Å; D298-R301 PolarHBondContact OD1-NH1 2.73Å; D298-R301 IonicContact OD1-NH2 3.37Å; D298-R301 PolarHBondContact OD1-NH2 3.36Å; H299-R301 VanDerWaalsContact C-N 3.28Å; H299-R301 PolarHBondContact O-N 2.92Å; R301-L303 VanDerWaalsContact C-N 3.31Å; R301-L303 PolarHBondContact O-N 3.11Å; R301-H304 PolarHBondContact O-N 3.32Å; R301-E305 PolarHBondContact O-N 2.68Å; R301-E305 VanDerWaalsContact O-N 3.08Å
302	N	97.3	Very high	97.4	Very high	83 Å²	83	74.2 Å²	74.2	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-37.3	178.9	-63.6	-11.9	0	0	0	112.1	D298 H299 H304 E305 E306	D298-N302 PolarHBondContact O-N 2.83Å; D298-N302 PolarHBondContact O-ND2 3.36Å; D298-N302 PolarHBondContact O-OD1 3.16Å; H299-N302 PolarHBondContact O-N 3.13Å; H299-N302 VanDerWaalsContact O-N 3.12Å; N302-H304 VanDerWaalsContact C-N 3.35Å; N302-E305 PolarHBondContact O-N 2.84Å; N302-E306 WeakPolarHBondContact O-CB 3.17Å; N302-E306 PolarHBondContact O-N 3.1Å
303	L	97.1	Very high	97.5	Very high	23 Å²	23	72.5 Å²	72.5	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-41	174.3	-72.8	-178.4	0	0	0	112.2	C99 H299 I300 R301 E305 E306 D307	C99-L303 WeakPolarHBondContact O-CD1 3.27Å; H299-L303 WeakPolarHBondContact O-CG 3.36Å; H299-L303 PolarHBondContact O-N 3.45Å; I300-L303 HydrophobicContact CD1-CD1 4.1Å; I300-L303 PolarHBondContact O-N 3.27Å; R301-L303 VanDerWaalsContact C-N 3.31Å; R301-L303 PolarHBondContact O-N 3.11Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E306 PolarHBondContact O-N 2.77Å; L303-D307 PolarHBondContact O-N 3.28Å
304	H	97.8	Very high	97.6	Very high	123 Å²	123	69.8 Å²	69.8	57%	0.569	35%	0.348	S	S	*	.	H	α-helix	trans	-66	-36.5	176	-73.1	-45.1	0	0	0	112.9	I300 R301 N302 A308	I300-H304 PolarHBondContact O-CD2 2.8Å; I300-H304 VanDerWaalsContact O-CD2 3.23Å; I300-H304 PolarHBondContact O-N 2.73Å; I300-H304 VanDerWaalsContact O-N 3.09Å; R301-H304 PolarHBondContact O-N 3.32Å; N302-H304 VanDerWaalsContact C-N 3.35Å; H304-A308 PolarHBondContact O-N 2.81Å; H304-A308 VanDerWaalsContact O-N 3.15Å
305	E	97.6	Very high	97.6	Very high	107 Å²	107	69 Å²	69	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-44.7	173.1	-69.9	175.4	-170.1	0	0	111.1	R301 N302 L303 D307 A308 L309	R301-E305 PolarHBondContact O-N 2.68Å; R301-E305 VanDerWaalsContact O-N 3.08Å; N302-E305 PolarHBondContact O-N 2.84Å; L303-E305 VanDerWaalsContact C-N 3.35Å; E305-D307 PolarHBondContact O-N 3.25Å; E305-A308 PolarHBondContact O-N 2.58Å; E305-L309 WeakPolarHBondContact O-CG 3.44Å; E305-L309 PolarHBondContact O-N 2.75Å
306	E	97.8	Very high	97.7	Very high	41 Å²	41	71.5 Å²	71.5	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-59.5	-44.3	174.5	-172.3	-169.8	-132.1	0	0	111.9	R61 N62 N302 L303 A308 L309 L310	R61-E306 VanDerWaalsContact CB-CD 3.49Å; R61-E306 HydrophobicContact CB-CG 4.38Å; R61-E306 WeakPolarHBondContact CB-OE1 3.38Å; R61-E306 IonicContact CZ-OE2 2.75Å; R61-E306 IonicContact NE-OE2 3.5Å; R61-E306 PolarHBondContact NE-OE2 3.05Å; R61-E306 IonicContact NH2-OE2 2.82Å; R61-E306 PolarHBondContact NH2-OE2 2.83Å; N62-E306 WeakPolarHBondContact CB-OE1 3.36Å; N62-E306 PolarHBondContact N-OE1 2.64Å; N62-E306 VanDerWaalsContact N-OE1 3.12Å; N302-E306 WeakPolarHBondContact O-CB 3.17Å; N302-E306 PolarHBondContact O-N 3.1Å; L303-E306 PolarHBondContact O-N 2.77Å; E306-A308 VanDerWaalsContact C-N 3.28Å; E306-A308 PolarHBondContact O-N 3.08Å; E306-L309 PolarHBondContact O-N 3.11Å; E306-L310 HydrophobicContact CG-CD1 4.18Å; E306-L310 WeakPolarHBondContact O-CB 3.02Å; E306-L310 WeakPolarHBondContact O-CG 3.47Å; E306-L310 PolarHBondContact O-N 3.15Å
307	D	97.9	Very high	97.7	Very high	44 Å²	44	73 Å²	73	24%	0.235	37%	0.371	C	S	.	.	H	α-helix	trans	-56.6	-41.4	174.8	-84.7	-34.5	0	0	0	112.3	R61 L303 E305 K311	R61-D307 IonicContact CZ-OD1 3.65Å; R61-D307 IonicContact NH1-OD1 2.73Å; R61-D307 IonicContact NH2-OD1 3.4Å; R61-D307 PolarHBondContact NH2-OD1 2.97Å; L303-D307 PolarHBondContact O-N 3.28Å; E305-D307 PolarHBondContact O-N 3.25Å; D307-K311 WeakPolarHBondContact O-CB 3.3Å; D307-K311 WeakPolarHBondContact O-CD 3.43Å; D307-K311 VanDerWaalsContact O-CG 3.26Å; D307-K311 WeakPolarHBondContact O-CG 3.41Å; D307-K311 PolarHBondContact O-N 3.1Å; D307-K311 VanDerWaalsContact O-N 3.1Å
308	A	97.9	Very high	97.6	Very high	56 Å²	56	74.7 Å²	74.7	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-67.7	-45.9	179.8	0	0	0	0	0	111.3	H304 E305 E306 L310 K311 E312	H304-A308 PolarHBondContact O-N 2.81Å; H304-A308 VanDerWaalsContact O-N 3.15Å; E305-A308 PolarHBondContact O-N 2.58Å; E306-A308 VanDerWaalsContact C-N 3.28Å; E306-A308 PolarHBondContact O-N 3.08Å; A308-L310 PolarHBondContact O-N 2.73Å; A308-K311 PolarHBondContact O-N 3.24Å; A308-E312 PolarHBondContact O-N 2.95Å
309	L	97.9	Very high	97.6	Very high	113 Å²	113	72.8 Å²	72.8	59%	0.592	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-40.8	177.6	-68.2	173.3	0	0	0	112	E305 E306 E312 E313	E305-L309 WeakPolarHBondContact O-CG 3.44Å; E305-L309 PolarHBondContact O-N 2.75Å; E306-L309 PolarHBondContact O-N 3.11Å; L309-E312 PolarHBondContact O-N 3.4Å; L309-E313 WeakPolarHBondContact O-CB 3.45Å; L309-E313 PolarHBondContact O-N 2.82Å
310	L	98	Very high	97.6	Very high	4 Å²	4	71.7 Å²	71.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-38.5	176.5	-82.1	173.2	0	0	0	112.8	R61 R67 I94 E306 A308 S314 F322	R61-L310 HydrophobicContact CB-CD1 3.79Å; R61-L310 HydrophobicContact CG-CD1 3.92Å; R67-L310 VanDerWaalsContact NH2-CD2 3.31Å; I94-L310 HydrophobicContact CD1-CD2 3.83Å; I94-L310 HydrophobicContact CG2-CD1 4.42Å; E306-L310 HydrophobicContact CG-CD1 4.18Å; E306-L310 WeakPolarHBondContact O-CB 3.02Å; E306-L310 WeakPolarHBondContact O-CG 3.47Å; E306-L310 PolarHBondContact O-N 3.15Å; A308-L310 PolarHBondContact O-N 2.73Å; L310-S314 VanDerWaalsContact O-CB 3.3Å; L310-S314 WeakPolarHBondContact O-CB 3.32Å; L310-S314 PolarHBondContact O-N 3.33Å; L310-F322 HydrophobicContact CB-CE1 4.27Å; L310-F322 HydrophobicContact CB-CZ 4.13Å; L310-F322 HydrophobicContact CD1-CE1 4.43Å
311	K	97.3	Very high	97.6	Very high	141 Å²	141	69.5 Å²	69.5	61%	0.613	35%	0.351	S	S	*	.	H	α-helix	trans	-65.2	-42.5	174.9	-76.3	168.6	-175	166.2	0	111.4	D307 A308 S315	D307-K311 WeakPolarHBondContact O-CB 3.3Å; D307-K311 WeakPolarHBondContact O-CD 3.43Å; D307-K311 VanDerWaalsContact O-CG 3.26Å; D307-K311 WeakPolarHBondContact O-CG 3.41Å; D307-K311 PolarHBondContact O-N 3.1Å; D307-K311 VanDerWaalsContact O-N 3.1Å; A308-K311 PolarHBondContact O-N 3.24Å; K311-S315 WeakPolarHBondContact O-CB 3.22Å; K311-S315 PolarHBondContact O-N 2.99Å
312	E	97.9	Very high	97.7	Very high	114 Å²	114	67.3 Å²	67.3	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-51.7	174.5	-178.2	174.3	-163.3	0	0	110.8	A308 L309 S314 S315 I316	A308-E312 PolarHBondContact O-N 2.95Å; L309-E312 PolarHBondContact O-N 3.4Å; E312-S314 VanDerWaalsContact C-N 3.34Å; E312-S314 PolarHBondContact O-N 2.88Å; E312-S315 PolarHBondContact O-N 3.29Å; E312-S315 PolarHBondContact O-OG 3.15Å; E312-I316 HydrophobicContact CG-CD1 3.84Å; E312-I316 WeakPolarHBondContact O-CG1 3.31Å; E312-I316 PolarHBondContact O-N 3.39Å; E312-I316 VanDerWaalsContact O-N 3.08Å
313	E	98.3	Very high	97.7	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.023	33%	0.326	C	S	.	.	H	α-helix	trans	-54.6	-48.7	177.2	-175.1	-175.9	171.1	0	0	111.6	H64 R67 R71 L309 S315 I316 Y317 I320	H64-E313 IonicContact CE1-OE2 2.64Å; H64-E313 IonicContact CG-OE2 3.69Å; H64-E313 IonicContact ND1-OE1 3.61Å; H64-E313 IonicContact ND1-OE2 3.3Å; H64-E313 PolarHBondContact ND1-OE2 3.27Å; R67-E313 IonicContact CZ-OE1 2.7Å; R67-E313 IonicContact CZ-OE2 2.79Å; R67-E313 IonicContact NE-OE1 2.8Å; R67-E313 PolarHBondContact NE-OE1 3.42Å; R67-E313 IonicContact NE-OE2 2.74Å; R67-E313 PolarHBondContact NE-OE2 3.41Å; R67-E313 IonicContact NH2-OE1 2.73Å; R67-E313 IonicContact NH2-OE2 2.62Å; R67-E313 PolarHBondContact NH2-OE2 3.14Å; R71-E313 IonicContact CZ-OE1 2.75Å; R71-E313 IonicContact NH1-OE1 2.83Å; R71-E313 PolarHBondContact NH1-OE1 3.4Å; R71-E313 IonicContact NH2-OE1 3.86Å; R71-E313 PolarHBondContact NH2-OE1 3.03Å; L309-E313 WeakPolarHBondContact O-CB 3.45Å; L309-E313 PolarHBondContact O-N 2.82Å; E313-S315 VanDerWaalsContact C-N 3.27Å; E313-S315 PolarHBondContact O-N 3.5Å; E313-I316 PolarHBondContact O-N 3.2Å; E313-Y317 HydrophobicContact CG-CD2 3.8Å; E313-Y317 HydrophobicContact CG-CE2 4.12Å; E313-Y317 VanDerWaalsContact O-CD2 3.31Å; E313-Y317 WeakPolarHBondContact O-CD2 3.46Å; E313-Y317 PolarHBondContact O-N 2.91Å; E313-Y317 VanDerWaalsContact O-N 3.1Å; E313-I320 HydrophobicContact CB-CD1 4.31Å; E313-I320 HydrophobicContact CG-CD1 3.85Å
314	S	97.6	Very high	97.7	Very high	28 Å²	28	68.5 Å²	68.5	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-36.3	178.3	-176.4	0	0	0	0	112.4	L310 E312 I316 D318	L310-S314 VanDerWaalsContact O-CB 3.3Å; L310-S314 WeakPolarHBondContact O-CB 3.32Å; L310-S314 PolarHBondContact O-N 3.33Å; E312-S314 VanDerWaalsContact C-N 3.34Å; E312-S314 PolarHBondContact O-N 2.88Å; S314-I316 VanDerWaalsContact C-N 3.34Å; S314-D318 PolarHBondContact O-N 3.4Å; S314-D318 VanDerWaalsContact O-N 3.11Å
315	S	97.3	Very high	97.7	Very high	95 Å²	95	63.2 Å²	63.2	66%	0.664	33%	0.329	S	S	*	.	H	α-helix	trans	-71.7	-29	179	76.1	0	0	0	0	113.2	K311 E312 E313	K311-S315 WeakPolarHBondContact O-CB 3.22Å; K311-S315 PolarHBondContact O-N 2.99Å; E312-S315 PolarHBondContact O-N 3.29Å; E312-S315 PolarHBondContact O-OG 3.15Å; E313-S315 VanDerWaalsContact C-N 3.27Å; E313-S315 PolarHBondContact O-N 3.5Å
316	I	97.6	Very high	97.7	Very high	102 Å²	102	60.4 Å²	60.4	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-79.1	-44.8	-179	-68.3	166.8	0	0	0	111	E312 E313 S314	E312-I316 HydrophobicContact CG-CD1 3.84Å; E312-I316 WeakPolarHBondContact O-CG1 3.31Å; E312-I316 PolarHBondContact O-N 3.39Å; E312-I316 VanDerWaalsContact O-N 3.08Å; E313-I316 PolarHBondContact O-N 3.2Å; S314-I316 VanDerWaalsContact C-N 3.34Å
317	Y	97.1	Very high	97.7	Very high	107 Å²	107	59.6 Å²	59.6	42%	0.42	32%	0.316	S	S	.	.	H	α-helix	trans	-103.7	-20.9	-167.5	-62.8	-71	0	0	0	115	E313 D319	E313-Y317 HydrophobicContact CG-CD2 3.8Å; E313-Y317 HydrophobicContact CG-CE2 4.12Å; E313-Y317 VanDerWaalsContact O-CD2 3.31Å; E313-Y317 WeakPolarHBondContact O-CD2 3.46Å; E313-Y317 PolarHBondContact O-N 2.91Å; E313-Y317 VanDerWaalsContact O-N 3.1Å; Y317-D319 VanDerWaalsContact CB-OD1 3.3Å; Y317-D319 WeakPolarHBondContact CB-OD1 3.46Å; Y317-D319 PolarHBondContact O-N 3.5Å; Y317-D319 VanDerWaalsContact O-N 3.08Å
318	D	95.6	Very high	97.6	Very high	123 Å²	123	58 Å²	58	66%	0.658	31%	0.307	S	S	*	.			trans	48.4	34.7	-176	-170.2	35.9	0	0	0	113.3	K91 S314	K91-D318 PolarHBondContact NZ-O 2.79Å; S314-D318 PolarHBondContact O-N 3.4Å; S314-D318 VanDerWaalsContact O-N 3.11Å
319	D	97.5	Very high	97.4	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.043	30%	0.296	C	S	.	.			trans	-120.1	6.2	-177.6	64.1	5.5	0	0	0	113.2	R71 M75 K91 F92 Y317	R71-D319 IonicContact CZ-OD1 2.7Å; R71-D319 IonicContact CZ-OD2 3.6Å; R71-D319 IonicContact NE-OD1 2.85Å; R71-D319 IonicContact NE-OD2 3.43Å; R71-D319 PolarHBondContact NE-OD2 2.68Å; R71-D319 IonicContact NH2-OD1 3.22Å; R71-D319 PolarHBondContact NH2-OD1 3.24Å; R71-D319 IonicContact NH2-OD2 2.8Å; R71-D319 PolarHBondContact NH2-OD2 2.69Å; M75-D319 HydrophobicContact CE-CB 4.13Å; K91-D319 CarbonylContact C-O 3.54Å; K91-D319 VanDerWaalsContact CA-O 3.3Å; K91-D319 WeakPolarHBondContact CA-O 3.31Å; F92-D319 HydrophobicContact CD2-CB 4.33Å; F92-D319 WeakPolarHBondContact CE2-OD2 3.49Å; F92-D319 PolarHBondContact N-O 3.13Å; Y317-D319 VanDerWaalsContact CB-OD1 3.3Å; Y317-D319 WeakPolarHBondContact CB-OD1 3.46Å; Y317-D319 PolarHBondContact O-N 3.5Å; Y317-D319 VanDerWaalsContact O-N 3.08Å
320	I	98.6	Very high	97.3	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.062	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.3	178.3	-62.2	173.3	0	0	0	110.5	F92 I94 E313 F322	F92-I320 HydrophobicContact CB-CG1 4.23Å; F92-I320 CarbonylContact O-C 3.57Å; F92-I320 WeakPolarHBondContact O-CA 3.32Å; I94-I320 HydrophobicContact CB-CG2 4.32Å; I94-I320 HydrophobicContact CD1-CD1 4.07Å; I94-I320 HydrophobicContact CD1-CG1 4.29Å; I94-I320 HydrophobicContact CD1-CG2 3.83Å; I94-I320 HydrophobicContact CG1-CG2 4.12Å; E313-I320 HydrophobicContact CB-CD1 4.31Å; E313-I320 HydrophobicContact CG-CD1 3.85Å; I320-F322 HydrophobicContact CG2-CD1 4.22Å; I320-F322 HydrophobicContact CG2-CD2 4.09Å; I320-F322 HydrophobicContact CG2-CE1 3.93Å; I320-F322 HydrophobicContact CG2-CE2 3.8Å; I320-F322 HydrophobicContact CG2-CG 4.3Å; I320-F322 HydrophobicContact CG2-CZ 3.71Å
321	V	98.5	Very high	97.2	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.1	166.8	179.2	0	0	0	0	107.9	K91 F92 I94 V323 F339 W342	K91-V321 HydrophobicContact CB-CG2 3.85Å; K91-V321 HydrophobicContact CD-CG2 3.97Å; K91-V321 HydrophobicContact CG-CG2 3.88Å; F92-V321 PolarHBondContact O-N 3.46Å; I94-V321 PolarHBondContact N-O 3.31Å; V321-V323 HydrophobicContact CG1-CG1 4.16Å; V321-F339 HydrophobicContact CG1-CD2 4.49Å; V321-W342 HydrophobicContact CG1-CB 4.4Å; V321-W342 HydrophobicContact CG1-CD2 3.66Å; V321-W342 HydrophobicContact CG1-CE3 4.14Å; V321-W342 HydrophobicContact CG1-CG 3.75Å; V321-W342 HydrophobicContact CG2-CD2 3.99Å; V321-W342 HydrophobicContact CG2-CE3 3.96Å; V321-W342 HydrophobicContact CG2-CH2 3.62Å; V321-W342 HydrophobicContact CG2-CZ2 3.61Å; V321-W342 HydrophobicContact CG2-CZ3 3.79Å
322	F	98.5	Very high	97.2	Very high	78 Å²	78	51.3 Å²	51.3	34%	0.342	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.8	170	-64.9	-74	0	0	0	109.9	I94 A96 L310 I320	I94-F322 HydrophobicContact CB-CD1 4.22Å; I94-F322 HydrophobicContact CB-CE1 4.3Å; I94-F322 HydrophobicContact CG2-CD1 4.31Å; I94-F322 HydrophobicContact CG2-CE1 4.2Å; I94-F322 WeakPolarHBondContact O-CA 3.45Å; A96-F322 HydrophobicContact CB-CB 4.29Å; L310-F322 HydrophobicContact CB-CE1 4.27Å; L310-F322 HydrophobicContact CB-CZ 4.13Å; L310-F322 HydrophobicContact CD1-CE1 4.43Å; I320-F322 HydrophobicContact CG2-CD1 4.22Å; I320-F322 HydrophobicContact CG2-CD2 4.09Å; I320-F322 HydrophobicContact CG2-CE1 3.93Å; I320-F322 HydrophobicContact CG2-CE2 3.8Å; I320-F322 HydrophobicContact CG2-CG 4.3Å; I320-F322 HydrophobicContact CG2-CZ 3.71Å
323	V	98.1	Very high	97.2	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.2	177.1	-73.3	0	0	0	0	110.6	I93 I94 A96 V321 V325 K335 N338 F339	I93-V323 HydrophobicContact CG2-CG1 4.25Å; I93-V323 HydrophobicContact CG2-CG2 3.85Å; I94-V323 WeakPolarHBondContact O-CG2 3.42Å; I94-V323 PolarHBondContact O-N 2.8Å; A96-V323 WeakPolarHBondContact CB-O 3.27Å; A96-V323 PolarHBondContact N-O 2.92Å; V321-V323 HydrophobicContact CG1-CG1 4.16Å; V323-V325 HydrophobicContact CB-CG1 4.04Å; V323-V325 HydrophobicContact CG2-CG1 3.65Å; V323-V325 WeakPolarHBondContact O-CG1 3.36Å; V323-V325 PolarHBondContact O-N 2.71Å; V323-K335 HydrophobicContact CG2-CB 4.32Å; V323-K335 HydrophobicContact CG2-CG 3.53Å; V323-N338 HydrophobicContact CB-CB 3.69Å; V323-N338 HydrophobicContact CG1-CB 3.81Å; V323-N338 HydrophobicContact CG2-CB 4.47Å; V323-F339 HydrophobicContact CG1-CB 4.47Å
324	D	97	Very high	97.2	Very high	124 Å²	124	46.9 Å²	46.9	66%	0.663	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	83.5	-172.8	-172.4	30.5	0	0	0	112.4	H97 N338	H97-D324 IonicContact CD2-OD1 2.74Å; H97-D324 PolarHBondContact CD2-OD1 2.78Å; H97-D324 IonicContact CE1-OD1 3.68Å; H97-D324 IonicContact NE2-OD1 3.1Å; H97-D324 PolarHBondContact NE2-OD1 3.35Å; D324-N338 PolarHBondContact O-ND2 2.95Å; D324-N338 VanDerWaalsContact O-ND2 3.11Å
325	V	97.4	Very high	97.2	Very high	12 Å²	12	45.8 Å²	45.8	7%	0.073	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	145.4	-176.8	14.7	0	0	0	0	109.3	G95 A96 H97 V323 D327 N331 K335	G95-V325 CarbonylContact C-O 3.57Å; G95-V325 WeakPolarHBondContact CA-O 3.25Å; A96-V325 PolarHBondContact N-O 2.99Å; H97-V325 PolarHBondContact N-O 2.96Å; V323-V325 HydrophobicContact CB-CG1 4.04Å; V323-V325 HydrophobicContact CG2-CG1 3.65Å; V323-V325 WeakPolarHBondContact O-CG1 3.36Å; V323-V325 PolarHBondContact O-N 2.71Å; V325-D327 PolarHBondContact O-N 2.93Å; V325-N331 HydrophobicContact CG2-CB 3.8Å; V325-K335 HydrophobicContact CG1-CB 4.2Å; V325-K335 HydrophobicContact CG2-CB 4.42Å
326	V	98	Very high	97.3	Very high	48 Å²	48	41.3 Å²	41.3	29%	0.291	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.5	167.3	-177.2	0	0	0	0	109.3	H97 C99 C112 T328 N331	H97-V326 HydrophobicContact CB-CG2 4.21Å; H97-V326 CarbonylContact O-C 3.47Å; H97-V326 WeakPolarHBondContact O-CA 3.47Å; C99-V326 HydrophobicContact CB-CG1 3.8Å; C112-V326 HydrophobicContact CB-CG1 4.06Å; V326-T328 HydrophobicContact CG1-CG2 4.27Å; V326-T328 PolarHBondContact O-N 3.23Å; V326-N331 WeakPolarHBondContact O-CB 3.28Å; V326-N331 PolarHBondContact O-ND2 2.84Å
327	D	97.4	Very high	97.3	Very high	24 Å²	24	36.7 Å²	36.7	13%	0.128	19%	0.185	C	C	.	.			trans	-73.3	95	-172.2	-153.2	-28.7	0	0	0	111.7	R61 G95 H97 V325 K335	R61-D327 VanDerWaalsContact CD-CB 3.42Å; R61-D327 HydrophobicContact CG-CB 3.82Å; R61-D327 WeakPolarHBondContact CG-OD2 3.34Å; G95-D327 WeakPolarHBondContact CA-OD2 3.37Å; G95-D327 PolarHBondContact N-OD2 3.22Å; H97-D327 PolarHBondContact O-N 3.23Å; V325-D327 PolarHBondContact O-N 2.93Å; D327-K335 VanDerWaalsContact OD1-CE 3.26Å; D327-K335 WeakPolarHBondContact OD1-CE 3.4Å; D327-K335 IonicContact OD1-NZ 3.31Å; D327-K335 PolarHBondContact OD1-NZ 2.85Å; D327-K335 VanDerWaalsContact OD2-CE 3.31Å; D327-K335 WeakPolarHBondContact OD2-CE 3.3Å; D327-K335 IonicContact OD2-NZ 2.8Å; D327-K335 PolarHBondContact OD2-NZ 2.8Å
328	T	96.2	Very high	97.4	Very high	10 Å²	10	32.9 Å²	32.9	6%	0.061	17%	0.172	C	C	.	.	S	Bend	trans	-140.2	161.1	174.8	58.5	0	0	0	0	109.1	C99 Y110 C112 V326 R330 N331 V332	C99-T328 HydrophobicContact CB-CG2 3.82Å; Y110-T328 WeakPolarHBondContact O-CB 3.47Å; C112-T328 HydrophobicContact CB-CG2 3.95Å; V326-T328 HydrophobicContact CG1-CG2 4.27Å; V326-T328 PolarHBondContact O-N 3.23Å; T328-R330 VanDerWaalsContact C-N 3.32Å; T328-R330 PolarHBondContact O-N 2.85Å; T328-N331 PolarHBondContact O-N 3Å; T328-N331 PolarHBondContact OG1-ND2 2.82Å; T328-V332 PolarHBondContact O-N 3Å
329	Y	94.5	Very high	97.5	Very high	58 Å²	58	27 Å²	27	23%	0.227	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57.7	-44.1	-179.7	177.1	-94.2	0	0	0	112.1	Y110 N331 V332 W397 Q437	Y110-Y329 HydrophobicContact CD1-CD1 4.25Å; Y110-Y329 HydrophobicContact CD1-CG 4.28Å; Y110-Y329 HydrophobicContact CG-CD1 4.24Å; Y110-Y329 PolarHBondContact O-N 3.1Å; Y329-N331 PolarHBondContact O-N 2.86Å; Y329-N331 VanDerWaalsContact O-N 3.15Å; Y329-V332 WeakPolarHBondContact O-CB 3.46Å; Y329-V332 WeakPolarHBondContact O-CG2 3Å; Y329-V332 PolarHBondContact O-N 2.84Å; Y329-V332 VanDerWaalsContact O-N 3.16Å; Y329-W397 HydrophobicContact CE2-CZ3 4.22Å; Y329-W397 AromaticContact CZ-CZ3 3.67Å; Y329-W397 VanDerWaalsContact OH-CE3 3.31Å; Y329-W397 WeakPolarHBondContact OH-CZ3 3.45Å; Y329-Q437 WeakPolarHBondContact CE1-O 3.29Å
330	R	94	Very high	97.6	Very high	40 Å²	40	26.7 Å²	26.7	15%	0.151	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.1	177.7	-64	-58.6	-175.7	-169.5	7.6	113.9	D108 Y110 T328 K396 Q398 Q437	D108-R330 IonicContact OD1-NE 2.8Å; Y110-R330 WeakPolarHBondContact O-CG 3.46Å; Y110-R330 PolarHBondContact O-N 2.88Å; T328-R330 VanDerWaalsContact C-N 3.32Å; T328-R330 PolarHBondContact O-N 2.85Å; R330-K396 PolarHBondContact NH1-O 2.73Å; R330-K396 VanDerWaalsContact NH1-O 3.11Å; R330-K396 PolarHBondContact NH2-O 3.33Å; R330-K396 VanDerWaalsContact NH2-O 3.12Å; R330-Q398 PolarHBondContact NH1-O 2.94Å; R330-Q437 VanDerWaalsContact NH1-CB 3.35Å; R330-Q437 PolarHBondContact NH1-O 3.05Å
331	N	96.8	Very high	97.6	Very high	52 Å²	52	30.1 Å²	30.1	28%	0.278	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-97.9	1.8	180	-72	-16.2	0	0	0	113.9	V325 V326 T328 Y329 P333 A334 K335	V325-N331 HydrophobicContact CG2-CB 3.8Å; V326-N331 WeakPolarHBondContact O-CB 3.28Å; V326-N331 PolarHBondContact O-ND2 2.84Å; T328-N331 PolarHBondContact O-N 3Å; T328-N331 PolarHBondContact OG1-ND2 2.82Å; Y329-N331 PolarHBondContact O-N 2.86Å; Y329-N331 VanDerWaalsContact O-N 3.15Å; N331-P333 VanDerWaalsContact C-CD 3.41Å; N331-P333 VanDerWaalsContact C-N 3.32Å; N331-A334 WeakPolarHBondContact O-CB 3.32Å; N331-A334 PolarHBondContact O-N 2.86Å; N331-K335 PolarHBondContact O-N 3.23Å
332	V	97.4	Very high	97.5	Very high	24 Å²	24	33 Å²	33	15%	0.145	16%	0.161	C	C	.	.	H	α-helix	trans	-55.8	-38.7	177	-178.4	0	0	0	0	112.9	L58 T328 Y329 A334 K335 L336 E439	L58-V332 HydrophobicContact CD1-CG1 3.63Å; L58-V332 HydrophobicContact CD2-CG1 4.49Å; T328-V332 PolarHBondContact O-N 3Å; Y329-V332 WeakPolarHBondContact O-CB 3.46Å; Y329-V332 WeakPolarHBondContact O-CG2 3Å; Y329-V332 PolarHBondContact O-N 2.84Å; Y329-V332 VanDerWaalsContact O-N 3.16Å; V332-A334 PolarHBondContact O-N 3.33Å; V332-K335 VanDerWaalsContact O-CB 3.3Å; V332-K335 WeakPolarHBondContact O-CB 2.98Å; V332-K335 PolarHBondContact O-N 3.39Å; V332-L336 PolarHBondContact O-N 3.15Å; V332-E439 HydrophobicContact CG1-CB 3.81Å; V332-E439 HydrophobicContact CG1-CG 4.48Å
333	P	97.8	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-40.8	173.5	-20.6	30	0	0	0	113.3	N331 K335 L336 L337 T435 Y436 S442 W446	N331-P333 VanDerWaalsContact C-CD 3.41Å; N331-P333 VanDerWaalsContact C-N 3.32Å; P333-K335 VanDerWaalsContact C-N 3.35Å; P333-L336 PolarHBondContact O-N 3.04Å; P333-L337 PolarHBondContact O-N 2.93Å; P333-T435 HydrophobicContact CB-CG2 3.85Å; P333-Y436 WeakPolarHBondContact CG-O 3.46Å; P333-S442 WeakPolarHBondContact CB-OG 2.93Å; P333-S442 VanDerWaalsContact CG-OG 3.24Å; P333-S442 WeakPolarHBondContact CG-OG 3.29Å; P333-W446 HydrophobicContact CB-CH2 3.77Å; P333-W446 HydrophobicContact CB-CZ2 4.17Å
334	A	98.1	Very high	97.5	Very high	25 Å²	25	31.7 Å²	31.7	21%	0.207	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-39.7	176	0	0	0	0	0	111.3	N331 V332 L336 L337 N338 T435	N331-A334 WeakPolarHBondContact O-CB 3.32Å; N331-A334 PolarHBondContact O-N 2.86Å; V332-A334 PolarHBondContact O-N 3.33Å; A334-L336 VanDerWaalsContact C-N 3.32Å; A334-L336 PolarHBondContact O-N 2.98Å; A334-L337 PolarHBondContact O-N 3.48Å; A334-N338 WeakPolarHBondContact O-CB 3.1Å; A334-N338 PolarHBondContact O-N 2.83Å; A334-N338 PolarHBondContact O-ND2 2.85Å; A334-T435 HydrophobicContact CB-CG2 4.17Å
335	K	98.4	Very high	97.4	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.022	16%	0.157	C	C	.	.	H	α-helix	trans	-54.6	-47.5	172	-172.3	-168.6	-75.3	-172.6	0	111.2	L58 S59 I93 V323 V325 D327 N331 V332 P333 N338 F339	L58-K335 HydrophobicContact CD2-CD 3.86Å; L58-K335 HydrophobicContact CD2-CG 4.24Å; S59-K335 PolarHBondContact O-NZ 3.4Å; I93-K335 HydrophobicContact CG2-CD 4.08Å; I93-K335 HydrophobicContact CG2-CG 3.69Å; V323-K335 HydrophobicContact CG2-CB 4.32Å; V323-K335 HydrophobicContact CG2-CG 3.53Å; V325-K335 HydrophobicContact CG1-CB 4.2Å; V325-K335 HydrophobicContact CG2-CB 4.42Å; D327-K335 VanDerWaalsContact OD1-CE 3.26Å; D327-K335 WeakPolarHBondContact OD1-CE 3.4Å; D327-K335 IonicContact OD1-NZ 3.31Å; D327-K335 PolarHBondContact OD1-NZ 2.85Å; D327-K335 VanDerWaalsContact OD2-CE 3.31Å; D327-K335 WeakPolarHBondContact OD2-CE 3.3Å; D327-K335 IonicContact OD2-NZ 2.8Å; D327-K335 PolarHBondContact OD2-NZ 2.8Å; N331-K335 PolarHBondContact O-N 3.23Å; V332-K335 VanDerWaalsContact O-CB 3.3Å; V332-K335 WeakPolarHBondContact O-CB 2.98Å; V332-K335 PolarHBondContact O-N 3.39Å; P333-K335 VanDerWaalsContact C-N 3.35Å; K335-N338 PolarHBondContact O-N 2.88Å; K335-F339 PolarHBondContact O-N 3.12Å
336	L	98.4	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-44.2	178.4	-176.3	65.3	0	0	0	112.9	L58 V332 P333 A334 N338 F339 Y340 K354 Y416 E439 M443	L58-L336 HydrophobicContact CD2-CD1 4.48Å; V332-L336 PolarHBondContact O-N 3.15Å; P333-L336 PolarHBondContact O-N 3.04Å; A334-L336 VanDerWaalsContact C-N 3.32Å; A334-L336 PolarHBondContact O-N 2.98Å; L336-N338 VanDerWaalsContact C-N 3.32Å; L336-N338 PolarHBondContact O-N 2.9Å; L336-F339 HydrophobicContact CD1-CD1 4.41Å; L336-F339 WeakPolarHBondContact O-CB 3.35Å; L336-F339 PolarHBondContact O-N 2.96Å; L336-F339 VanDerWaalsContact O-N 3.14Å; L336-Y340 HydrophobicContact CD1-CD1 4.3Å; L336-Y340 HydrophobicContact CD1-CE1 3.59Å; L336-Y340 HydrophobicContact CD1-CE2 4.17Å; L336-Y340 HydrophobicContact CD2-CE2 3.89Å; L336-Y340 WeakPolarHBondContact CD2-OH 3.31Å; L336-Y340 HydrophobicContact CG-CD2 4.27Å; L336-Y340 HydrophobicContact CG-CE1 4.01Å; L336-Y340 HydrophobicContact CG-CE2 3.63Å; L336-Y340 PolarHBondContact O-N 3.02Å; L336-K354 HydrophobicContact CD1-CG 4.25Å; L336-Y416 WeakPolarHBondContact CD2-OH 3.38Å; L336-E439 HydrophobicContact CB-CG 4.17Å; L336-E439 HydrophobicContact CD2-CG 3.31Å; L336-E439 WeakPolarHBondContact CD2-OE1 3.46Å; L336-E439 HydrophobicContact CG-CG 4.33Å; L336-M443 HydrophobicContact CD2-CG 4.02Å; L336-M443 HydrophobicContact CD2-SD 4.1Å
337	L	98.5	Very high	97.2	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-41.1	177	-74.9	175.8	0	0	0	112.4	P333 A334 F339 Y340 R341 L426 L433 W446	P333-L337 PolarHBondContact O-N 2.93Å; A334-L337 PolarHBondContact O-N 3.48Å; L337-F339 VanDerWaalsContact C-N 3.32Å; L337-Y340 HydrophobicContact CD2-CD2 4.42Å; L337-Y340 PolarHBondContact O-N 2.84Å; L337-R341 PolarHBondContact O-N 2.83Å; L337-R341 VanDerWaalsContact O-N 3.11Å; L337-L426 HydrophobicContact CD2-CB 4.3Å; L337-L433 HydrophobicContact CD1-CB 4.15Å; L337-L433 HydrophobicContact CD2-CD1 3.9Å; L337-W446 HydrophobicContact CD1-CH2 3.52Å; L337-W446 HydrophobicContact CD1-CZ2 3.66Å; L337-W446 HydrophobicContact CD1-CZ3 4.22Å; L337-W446 HydrophobicContact CD2-CE3 4.12Å; L337-W446 HydrophobicContact CD2-CH2 3.85Å; L337-W446 HydrophobicContact CD2-CZ2 4.47Å; L337-W446 HydrophobicContact CD2-CZ3 3.66Å; L337-W446 HydrophobicContact CG-CH2 3.46Å; L337-W446 VanDerWaalsContact CG-CH2 3.46Å; L337-W446 HydrophobicContact CG-CZ2 4.14Å; L337-W446 HydrophobicContact CG-CZ3 3.76Å
338	N	98.4	Very high	97.1	Very high	28 Å²	28	35 Å²	35	15%	0.15	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-36.4	175.2	-77.1	-26.2	0	0	0	111.7	V323 D324 A334 K335 L336 R341 W342	V323-N338 HydrophobicContact CB-CB 3.69Å; V323-N338 HydrophobicContact CG1-CB 3.81Å; V323-N338 HydrophobicContact CG2-CB 4.47Å; D324-N338 PolarHBondContact O-ND2 2.95Å; D324-N338 VanDerWaalsContact O-ND2 3.11Å; A334-N338 WeakPolarHBondContact O-CB 3.1Å; A334-N338 PolarHBondContact O-N 2.83Å; A334-N338 PolarHBondContact O-ND2 2.85Å; K335-N338 PolarHBondContact O-N 2.88Å; L336-N338 VanDerWaalsContact C-N 3.32Å; L336-N338 PolarHBondContact O-N 2.9Å; N338-R341 PolarHBondContact O-N 3.37Å; N338-R341 PolarHBondContact OD1-NH1 3.33Å; N338-R341 PolarHBondContact OD1-NH2 3.05Å; N338-W342 PolarHBondContact O-N 2.86Å
339	F	98.6	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-46.2	172.6	175.1	-114	0	0	0	111.7	V54 K91 I93 V321 V323 K335 L336 L337 R341 W342 T343 L352	V54-F339 HydrophobicContact CG1-CZ 4.08Å; K91-F339 HydrophobicContact CB-CE2 4.3Å; I93-F339 HydrophobicContact CD1-CB 3.83Å; I93-F339 HydrophobicContact CD1-CD1 3.33Å; I93-F339 HydrophobicContact CD1-CD2 3.74Å; I93-F339 HydrophobicContact CD1-CE1 3.69Å; I93-F339 HydrophobicContact CD1-CE2 4.07Å; I93-F339 HydrophobicContact CD1-CG 3.34Å; I93-F339 HydrophobicContact CD1-CZ 4.03Å; I93-F339 HydrophobicContact CG1-CB 4.2Å; I93-F339 HydrophobicContact CG1-CD1 4.14Å; I93-F339 HydrophobicContact CG1-CD2 3.57Å; I93-F339 HydrophobicContact CG1-CE1 4.39Å; I93-F339 HydrophobicContact CG1-CE2 3.86Å; I93-F339 HydrophobicContact CG1-CG 3.71Å; I93-F339 HydrophobicContact CG1-CZ 4.25Å; I93-F339 HydrophobicContact CG2-CB 3.82Å; I93-F339 HydrophobicContact CG2-CD2 4.35Å; I93-F339 HydrophobicContact CG2-CG 4.26Å; V321-F339 HydrophobicContact CG1-CD2 4.49Å; V323-F339 HydrophobicContact CG1-CB 4.47Å; K335-F339 PolarHBondContact O-N 3.12Å; L336-F339 HydrophobicContact CD1-CD1 4.41Å; L336-F339 WeakPolarHBondContact O-CB 3.35Å; L336-F339 PolarHBondContact O-N 2.96Å; L336-F339 VanDerWaalsContact O-N 3.14Å; L337-F339 VanDerWaalsContact C-N 3.32Å; F339-R341 VanDerWaalsContact C-N 3.26Å; F339-R341 PolarHBondContact O-N 3.26Å; F339-W342 HydrophobicContact CD2-CE3 4.03Å; F339-W342 AromaticContact CE2-CE3 3.81Å; F339-W342 HydrophobicContact CE2-CE3 3.81Å; F339-W342 AromaticContact CE2-CZ3 3.95Å; F339-W342 HydrophobicContact CE2-CZ3 3.95Å; F339-W342 WeakPolarHBondContact O-CB 3.41Å; F339-W342 PolarHBondContact O-N 3.03Å; F339-W342 VanDerWaalsContact O-N 3.09Å; F339-T343 WeakPolarHBondContact CZ-OG1 3.24Å; F339-T343 PolarHBondContact O-N 2.77Å; F339-T343 PolarHBondContact O-OG1 3.07Å; F339-L352 HydrophobicContact CD1-CD1 4.44Å; F339-L352 HydrophobicContact CE1-CD1 3.9Å; F339-L352 HydrophobicContact CE1-CG 4.46Å
340	Y	98.6	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-39.3	176.2	-65.1	-25	0	0	0	112.8	L336 L337 T343 M344 L352 Y416 I418 V423 L426 M443	L336-Y340 HydrophobicContact CD1-CD1 4.3Å; L336-Y340 HydrophobicContact CD1-CE1 3.59Å; L336-Y340 HydrophobicContact CD1-CE2 4.17Å; L336-Y340 HydrophobicContact CD2-CE2 3.89Å; L336-Y340 WeakPolarHBondContact CD2-OH 3.31Å; L336-Y340 HydrophobicContact CG-CD2 4.27Å; L336-Y340 HydrophobicContact CG-CE1 4.01Å; L336-Y340 HydrophobicContact CG-CE2 3.63Å; L336-Y340 PolarHBondContact O-N 3.02Å; L337-Y340 HydrophobicContact CD2-CD2 4.42Å; L337-Y340 PolarHBondContact O-N 2.84Å; Y340-T343 PolarHBondContact O-N 3.32Å; Y340-M344 WeakPolarHBondContact O-CB 3.19Å; Y340-M344 VanDerWaalsContact O-CG 3.3Å; Y340-M344 WeakPolarHBondContact O-CG 2.98Å; Y340-M344 PolarHBondContact O-N 3.12Å; Y340-L352 HydrophobicContact CD1-CD1 3.58Å; Y340-L352 HydrophobicContact CD1-CD2 4.46Å; Y340-L352 HydrophobicContact CE1-CD1 3.58Å; Y340-L352 HydrophobicContact CE1-CD2 3.62Å; Y340-L352 HydrophobicContact CE1-CG 4.27Å; Y340-Y416 PolarHBondContact OH-OH 3.41Å; Y340-Y416 VanDerWaalsContact OH-OH 3.14Å; Y340-I418 HydrophobicContact CE1-CD1 4.23Å; Y340-I418 WeakPolarHBondContact OH-CD1 3.31Å; Y340-V423 HydrophobicContact CD1-CG1 3.89Å; Y340-V423 HydrophobicContact CG-CG1 4.01Å; Y340-L426 HydrophobicContact CD2-CB 3.77Å; Y340-L426 HydrophobicContact CD2-CD1 4Å; Y340-L426 HydrophobicContact CE2-CB 4.23Å; Y340-L426 HydrophobicContact CE2-CD1 3.58Å; Y340-L426 HydrophobicContact CE2-CG 4.5Å; Y340-M443 HydrophobicContact CE2-CE 4.25Å; Y340-M443 HydrophobicContact CE2-SD 4.09Å; Y340-M443 WeakPolarHBondContact OH-CE 2.99Å
341	R	98.3	Very high	97.4	Very high	84 Å²	84	34 Å²	34	32%	0.317	18%	0.175	S	C	.	.	H	α-helix	trans	-59.9	-53	172.8	-169.9	-174.7	-52.8	115.3	4.9	111.2	L337 N338 F339 T343 M344 E345 S430	L337-R341 PolarHBondContact O-N 2.83Å; L337-R341 VanDerWaalsContact O-N 3.11Å; N338-R341 PolarHBondContact O-N 3.37Å; N338-R341 PolarHBondContact OD1-NH1 3.33Å; N338-R341 PolarHBondContact OD1-NH2 3.05Å; F339-R341 VanDerWaalsContact C-N 3.26Å; F339-R341 PolarHBondContact O-N 3.26Å; R341-T343 VanDerWaalsContact C-N 3.33Å; R341-T343 PolarHBondContact O-N 2.8Å; R341-M344 PolarHBondContact O-N 3Å; R341-E345 WeakPolarHBondContact CG-OE1 3.27Å; R341-E345 WeakPolarHBondContact O-CG 3.18Å; R341-E345 PolarHBondContact O-N 3.03Å; R341-S430 PolarHBondContact NH2-OG 3Å
342	W	97.7	Very high	97.5	Very high	69 Å²	69	31.5 Å²	31.5	26%	0.261	16%	0.162	S	C	.	.	H	α-helix	trans	-56.2	-45.8	177.8	176.8	90.1	0	0	0	112.1	K91 V321 N338 F339 M344 E345 T346 T347	K91-W342 HydrophobicContact CD-CH2 4.48Å; K91-W342 HydrophobicContact CG-CH2 4.05Å; K91-W342 HydrophobicContact CG-CZ3 4.26Å; V321-W342 HydrophobicContact CG1-CB 4.4Å; V321-W342 HydrophobicContact CG1-CD2 3.66Å; V321-W342 HydrophobicContact CG1-CE3 4.14Å; V321-W342 HydrophobicContact CG1-CG 3.75Å; V321-W342 HydrophobicContact CG2-CD2 3.99Å; V321-W342 HydrophobicContact CG2-CE3 3.96Å; V321-W342 HydrophobicContact CG2-CH2 3.62Å; V321-W342 HydrophobicContact CG2-CZ2 3.61Å; V321-W342 HydrophobicContact CG2-CZ3 3.79Å; N338-W342 PolarHBondContact O-N 2.86Å; F339-W342 HydrophobicContact CD2-CE3 4.03Å; F339-W342 AromaticContact CE2-CE3 3.81Å; F339-W342 HydrophobicContact CE2-CE3 3.81Å; F339-W342 AromaticContact CE2-CZ3 3.95Å; F339-W342 HydrophobicContact CE2-CZ3 3.95Å; F339-W342 WeakPolarHBondContact O-CB 3.41Å; F339-W342 PolarHBondContact O-N 3.03Å; F339-W342 VanDerWaalsContact O-N 3.09Å; W342-M344 PolarHBondContact O-N 3.23Å; W342-E345 PolarHBondContact O-N 3.08Å; W342-T346 HydrophobicContact CG-CG2 4.44Å; W342-T346 WeakPolarHBondContact CZ2-OG1 3.31Å; W342-T346 WeakPolarHBondContact O-CB 3.2Å; W342-T346 WeakPolarHBondContact O-CG2 3.45Å; W342-T346 PolarHBondContact O-N 3.44Å; W342-T346 PolarHBondContact O-OG1 2.77Å; W342-T347 HydrophobicContact CH2-CG2 4.1Å; W342-T347 HydrophobicContact CZ3-CG2 4.13Å
343	T	97.7	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-44.4	-179.7	-49.2	0	0	0	0	111.1	V54 F339 Y340 R341 E345 T347 F349 L352	V54-T343 HydrophobicContact CB-CG2 4.28Å; V54-T343 HydrophobicContact CG1-CG2 3.96Å; V54-T343 HydrophobicContact CG2-CG2 4.2Å; F339-T343 WeakPolarHBondContact CZ-OG1 3.24Å; F339-T343 PolarHBondContact O-N 2.77Å; F339-T343 PolarHBondContact O-OG1 3.07Å; Y340-T343 PolarHBondContact O-N 3.32Å; R341-T343 VanDerWaalsContact C-N 3.33Å; R341-T343 PolarHBondContact O-N 2.8Å; T343-E345 VanDerWaalsContact C-N 3.32Å; T343-E345 PolarHBondContact O-N 2.75Å; T343-T347 WeakPolarHBondContact CG2-OG1 3.26Å; T343-T347 PolarHBondContact O-N 3.37Å; T343-T347 PolarHBondContact O-OG1 2.77Å; T343-F349 HydrophobicContact CG2-CD1 3.86Å; T343-F349 HydrophobicContact CG2-CE1 3.51Å; T343-F349 HydrophobicContact CG2-CZ 3.92Å; T343-L352 HydrophobicContact CG2-CD1 4.31Å
344	M	97.7	Very high	97.6	Very high	57 Å²	57	30.5 Å²	30.5	28%	0.281	16%	0.156	S	C	.	.	H	α-helix	trans	-67.2	-30.8	178.8	-72.4	-59.3	-54.4	0	0	113.6	Y340 R341 W342 F349 K420 V423 A427	Y340-M344 WeakPolarHBondContact O-CB 3.19Å; Y340-M344 VanDerWaalsContact O-CG 3.3Å; Y340-M344 WeakPolarHBondContact O-CG 2.98Å; Y340-M344 PolarHBondContact O-N 3.12Å; R341-M344 PolarHBondContact O-N 3Å; W342-M344 PolarHBondContact O-N 3.23Å; M344-F349 HydrophobicContact SD-CE1 3.78Å; M344-F349 HydrophobicContact SD-CZ 3.64Å; M344-K420 HydrophobicContact SD-CG 4.3Å; M344-V423 HydrophobicContact CG-CG1 4.01Å; M344-V423 HydrophobicContact SD-CB 4.38Å; M344-V423 HydrophobicContact SD-CG1 4.09Å; M344-A427 HydrophobicContact CB-CB 4.35Å; M344-A427 HydrophobicContact CG-CB 3.87Å
345	E	95.9	Very high	97.6	Very high	143 Å²	143	29.3 Å²	29.3	67%	0.668	15%	0.146	S	C	*	.	H	α-helix	trans	-82.4	-31.6	-179.6	-72.3	172	-177.7	0	0	113	R341 W342 T343	R341-E345 WeakPolarHBondContact CG-OE1 3.27Å; R341-E345 WeakPolarHBondContact O-CG 3.18Å; R341-E345 PolarHBondContact O-N 3.03Å; W342-E345 PolarHBondContact O-N 3.08Å; T343-E345 VanDerWaalsContact C-N 3.32Å; T343-E345 PolarHBondContact O-N 2.75Å
346	T	95.3	Very high	97.6	Very high	68 Å²	68	30.9 Å²	30.9	42%	0.417	16%	0.155	S	C	.	.	H	α-helix	trans	-113.6	-15.6	-166.8	63.5	0	0	0	0	114.5	W342	W342-T346 HydrophobicContact CG-CG2 4.44Å; W342-T346 WeakPolarHBondContact CZ2-OG1 3.31Å; W342-T346 WeakPolarHBondContact O-CB 3.2Å; W342-T346 WeakPolarHBondContact O-CG2 3.45Å; W342-T346 PolarHBondContact O-N 3.44Å; W342-T346 PolarHBondContact O-OG1 2.77Å
347	T	95	Very high	97.5	Very high	24 Å²	24	31.3 Å²	31.3	15%	0.147	16%	0.157	C	C	.	.			trans	-131.1	145.9	-172.2	70.9	0	0	0	0	113.3	L89 W342 T343 F349	L89-T347 HydrophobicContact CD2-CG2 3.75Å; W342-T347 HydrophobicContact CH2-CG2 4.1Å; W342-T347 HydrophobicContact CZ3-CG2 4.13Å; T343-T347 WeakPolarHBondContact CG2-OG1 3.26Å; T343-T347 PolarHBondContact O-N 3.37Å; T343-T347 PolarHBondContact O-OG1 2.77Å; T347-F349 WeakPolarHBondContact OG1-CD1 3.18Å
348	S	95.8	Very high	97.5	Very high	41 Å²	41	33.2 Å²	33.2	29%	0.287	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.3	169.3	-177.5	0	0	0	0	109	H50 Y51	H50-S348 WeakPolarHBondContact CA-O 3.5Å; H50-S348 PolarHBondContact ND1-O 3.39Å; H50-S348 PolarHBondContact ND1-OG 2.83Å; Y51-S348 PolarHBondContact N-O 3.02Å
349	F	96.5	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	168.3	-176.8	67.2	-78.6	0	0	0	113.9	Y51 V54 T343 M344 T347 L351 L352 K420 V423	Y51-F349 CarbonylContact O-C 3.58Å; Y51-F349 WeakPolarHBondContact O-CA 3.36Å; V54-F349 HydrophobicContact CG2-CB 3.57Å; V54-F349 HydrophobicContact CG2-CD1 4.24Å; V54-F349 HydrophobicContact CG2-CD2 4.39Å; V54-F349 HydrophobicContact CG2-CG 3.81Å; T343-F349 HydrophobicContact CG2-CD1 3.86Å; T343-F349 HydrophobicContact CG2-CE1 3.51Å; T343-F349 HydrophobicContact CG2-CZ 3.92Å; M344-F349 HydrophobicContact SD-CE1 3.78Å; M344-F349 HydrophobicContact SD-CZ 3.64Å; T347-F349 WeakPolarHBondContact OG1-CD1 3.18Å; F349-L351 WeakPolarHBondContact CD2-O 3.05Å; F349-L352 HydrophobicContact CE2-CB 4.18Å; F349-K420 HydrophobicContact CE1-CG 4.49Å; F349-K420 HydrophobicContact CE2-CB 4.09Å; F349-K420 HydrophobicContact CE2-CG 3.99Å; F349-K420 HydrophobicContact CZ-CG 3.96Å; F349-K420 VanDerWaalsContact O-CD 3.27Å; F349-K420 WeakPolarHBondContact O-CD 2.88Å; F349-K420 WeakPolarHBondContact O-CE 3.49Å; F349-K420 PolarHBondContact O-NZ 3.31Å; F349-V423 HydrophobicContact CE2-CB 4.42Å; F349-V423 HydrophobicContact CE2-CG2 4.19Å; F349-V423 HydrophobicContact CZ-CB 4.15Å; F349-V423 HydrophobicContact CZ-CG1 3.95Å; F349-V423 HydrophobicContact CZ-CG2 4.38Å
350	N	96.4	Very high	97.4	Very high	75 Å²	75	31.9 Å²	31.9	40%	0.401	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-47.1	173.4	-64.3	-36	0	0	0	112.9	H50 Y51 D52 K420	H50-N350 PolarHBondContact CE1-OD1 2.68Å; H50-N350 VanDerWaalsContact NE2-CG 3.34Å; H50-N350 PolarHBondContact NE2-ND2 2.9Å; H50-N350 PolarHBondContact NE2-OD1 3.08Å; Y51-N350 PolarHBondContact O-N 2.72Å; D52-N350 WeakPolarHBondContact O-CB 3.18Å; D52-N350 PolarHBondContact OD1-ND2 3.17Å; N350-K420 WeakPolarHBondContact O-CB 3.43Å; N350-K420 PolarHBondContact O-N 3.35Å
351	L	97.9	Very high	97.3	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.4	-175.8	-55.8	177.9	0	0	0	111.5	D52 V53 V54 F349 I370 F380 V417	D52-L351 PolarHBondContact O-N 3.07Å; V53-L351 WeakPolarHBondContact CA-O 3.48Å; V53-L351 HydrophobicContact CG2-CB 4.19Å; V53-L351 HydrophobicContact CG2-CD1 4.43Å; V54-L351 PolarHBondContact N-O 2.95Å; F349-L351 WeakPolarHBondContact CD2-O 3.05Å; L351-I370 HydrophobicContact CD1-CD1 3.93Å; L351-I370 HydrophobicContact CD1-CG2 3.98Å; L351-F380 HydrophobicContact CD1-CZ 4.2Å; L351-F380 HydrophobicContact CD2-CE1 3.57Å; L351-F380 HydrophobicContact CD2-CZ 3.37Å; L351-F380 HydrophobicContact CG-CZ 4.41Å; L351-V417 HydrophobicContact CB-CG1 4.04Å; L351-V417 HydrophobicContact CD1-CG1 4.2Å
352	L	98.5	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	171.4	-173	154.9	0	0	0	109.5	V54 F339 Y340 T343 F349 K354 V417 I418 V423	V54-L352 CarbonylContact O-C 3.56Å; V54-L352 VanDerWaalsContact O-CA 3.31Å; V54-L352 WeakPolarHBondContact O-CA 3.3Å; F339-L352 HydrophobicContact CD1-CD1 4.44Å; F339-L352 HydrophobicContact CE1-CD1 3.9Å; F339-L352 HydrophobicContact CE1-CG 4.46Å; Y340-L352 HydrophobicContact CD1-CD1 3.58Å; Y340-L352 HydrophobicContact CD1-CD2 4.46Å; Y340-L352 HydrophobicContact CE1-CD1 3.58Å; Y340-L352 HydrophobicContact CE1-CD2 3.62Å; Y340-L352 HydrophobicContact CE1-CG 4.27Å; T343-L352 HydrophobicContact CG2-CD1 4.31Å; F349-L352 HydrophobicContact CE2-CB 4.18Å; L352-K354 HydrophobicContact CD2-CB 4.36Å; L352-V417 CarbonylContact O-C 3.53Å; L352-V417 VanDerWaalsContact O-CA 3.32Å; L352-V417 WeakPolarHBondContact O-CA 3.31Å; L352-I418 HydrophobicContact CB-CG1 4.14Å; L352-I418 HydrophobicContact CD2-CD1 4.41Å; L352-I418 HydrophobicContact CD2-CG1 4.29Å; L352-I418 PolarHBondContact N-O 2.97Å; L352-I418 PolarHBondContact O-N 2.77Å; L352-V423 HydrophobicContact CB-CG2 3.68Å; L352-V423 HydrophobicContact CD1-CG1 3.95Å; L352-V423 HydrophobicContact CD1-CG2 3.92Å; L352-V423 HydrophobicContact CG-CG2 4.36Å
353	L	98.6	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.5	169.8	-173.5	156.6	0	0	0	108.7	V53 V54 V55 G56 T355 I361 L363 V366 Y416 V417 W460	V53-L353 HydrophobicContact CG1-CB 3.9Å; V54-L353 PolarHBondContact O-N 2.87Å; V55-L353 CarbonylContact C-O 3.55Å; V55-L353 VanDerWaalsContact CA-O 3.31Å; V55-L353 WeakPolarHBondContact CA-O 3.46Å; V55-L353 HydrophobicContact CG1-CD2 3.87Å; V55-L353 HydrophobicContact CG2-CB 4.2Å; V55-L353 HydrophobicContact CG2-CD2 4.5Å; G56-L353 PolarHBondContact N-O 3.5Å; L353-T355 HydrophobicContact CD2-CG2 4.19Å; L353-I361 HydrophobicContact CD1-CD1 4.45Å; L353-I361 HydrophobicContact CD2-CD1 4.31Å; L353-L363 HydrophobicContact CD1-CD2 3.95Å; L353-V366 HydrophobicContact CD1-CG1 3.84Å; L353-V366 HydrophobicContact CD1-CG2 4.48Å; L353-Y416 CarbonylContact C-O 3.55Å; L353-Y416 WeakPolarHBondContact CA-O 2.99Å; L353-V417 HydrophobicContact CB-CG2 4.15Å; L353-V417 HydrophobicContact CD1-CG2 3.99Å; L353-V417 HydrophobicContact CG-CG2 4.04Å; L353-W460 HydrophobicContact CD1-CH2 3.85Å; L353-W460 HydrophobicContact CG-CH2 4.2Å
354	K	98.3	Very high	96.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.7	169.7	178	-92.9	165.7	173.1	0	109.3	G56 L58 L336 L352 D356 G413 G415 Y416 E439	G56-K354 WeakPolarHBondContact O-CA 3.37Å; L58-K354 HydrophobicContact CD1-CD 4.49Å; L336-K354 HydrophobicContact CD1-CG 4.25Å; L352-K354 HydrophobicContact CD2-CB 4.36Å; K354-D356 WeakPolarHBondContact CE-OD1 3.33Å; K354-D356 IonicContact NZ-OD1 3.03Å; K354-D356 PolarHBondContact NZ-OD1 3.27Å; K354-D356 IonicContact NZ-OD2 3.98Å; K354-D356 PolarHBondContact NZ-OD2 3.29Å; K354-G413 PolarHBondContact NZ-O 2.83Å; K354-G415 CarbonylContact O-C 3.54Å; K354-G415 WeakPolarHBondContact O-CA 3.17Å; K354-Y416 HydrophobicContact CB-CD2 4.29Å; K354-Y416 HydrophobicContact CB-CE1 4.17Å; K354-Y416 HydrophobicContact CB-CE2 3.74Å; K354-Y416 HydrophobicContact CD-CD1 4.29Å; K354-Y416 HydrophobicContact CD-CE1 3.64Å; K354-Y416 HydrophobicContact CG-CE1 4.25Å; K354-Y416 PolarHBondContact N-O 3.19Å; K354-Y416 PolarHBondContact O-N 3.49Å; K354-Y416 VanDerWaalsContact O-N 3.1Å; K354-E439 WeakPolarHBondContact CE-OE2 3.48Å; K354-E439 IonicContact NZ-OE2 3.01Å; K354-E439 PolarHBondContact NZ-OE2 3.22Å
355	T	98.4	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	170.1	169.5	-172.9	0	0	0	0	109.8	V55 G56 V57 L58 L353 C359 S414	V55-T355 HydrophobicContact CG1-CG2 4.2Å; G56-T355 PolarHBondContact O-N 2.88Å; V57-T355 CarbonylContact C-O 3.46Å; V57-T355 WeakPolarHBondContact CA-O 3.46Å; V57-T355 HydrophobicContact CB-CG2 4.35Å; V57-T355 HydrophobicContact CG1-CG2 4.3Å; V57-T355 HydrophobicContact CG2-CG2 3.87Å; L58-T355 PolarHBondContact N-O 3.22Å; L353-T355 HydrophobicContact CD2-CG2 4.19Å; T355-C359 WeakPolarHBondContact OG1-CB 3.18Å; T355-S414 PolarHBondContact OG1-O 3.16Å
356	D	98.1	Very high	96.8	Very high	39 Å²	39	20.3 Å²	20.3	21%	0.209	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	163.9	172.8	-59.4	-24.9	0	0	0	110.8	K354 D358 C359	K354-D356 WeakPolarHBondContact CE-OD1 3.33Å; K354-D356 IonicContact NZ-OD1 3.03Å; K354-D356 PolarHBondContact NZ-OD1 3.27Å; K354-D356 IonicContact NZ-OD2 3.98Å; K354-D356 PolarHBondContact NZ-OD2 3.29Å; D356-D358 VanDerWaalsContact C-N 3.26Å; D356-D358 WeakPolarHBondContact CB-OD1 3.48Å; D356-D358 PolarHBondContact O-N 3.46Å; D356-C359 WeakPolarHBondContact O-CB 3.32Å; D356-C359 PolarHBondContact O-N 3.33Å
357	D	98	Very high	96.8	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.053	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.3	-175.8	63.1	-2.1	0	0	0	114.7	V57 L58 S59 N63 L66 I70	V57-D357 HydrophobicContact CG1-CB 3.93Å; L58-D357 PolarHBondContact O-N 2.66Å; L58-D357 VanDerWaalsContact O-N 3.08Å; S59-D357 WeakPolarHBondContact CA-OD2 3.33Å; S59-D357 WeakPolarHBondContact CB-OD2 3.37Å; S59-D357 PolarHBondContact OG-OD2 2.74Å; N63-D357 WeakPolarHBondContact CB-OD2 3.19Å; N63-D357 PolarHBondContact ND2-OD1 3.13Å; N63-D357 PolarHBondContact ND2-OD2 3.46Å; L66-D357 HydrophobicContact CB-CB 4.26Å; I70-D357 HydrophobicContact CD1-CB 4Å; I70-D357 VanDerWaalsContact CD1-O 3.31Å; I70-D357 WeakPolarHBondContact CD1-O 3.19Å
358	D	97.6	Very high	96.7	Very high	44 Å²	44	20.8 Å²	20.8	24%	0.235	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	15.9	175	70.9	-11.8	0	0	0	113	L66 D356 Q475 Y476	L66-D358 HydrophobicContact CD1-CB 4.26Å; D356-D358 VanDerWaalsContact C-N 3.26Å; D356-D358 WeakPolarHBondContact CB-OD1 3.48Å; D356-D358 PolarHBondContact O-N 3.46Å; D358-Q475 PolarHBondContact O-N 2.81Å; D358-Q475 VanDerWaalsContact O-N 3.14Å; D358-Q475 WeakPolarHBondContact OD2-CA 3.22Å; D358-Y476 PolarHBondContact O-N 2.94Å
359	C	97.4	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.			trans	-104.8	135.8	-176.9	-67.5	0	0	0	0	113.1	T355 D356 S473	T355-C359 WeakPolarHBondContact OG1-CB 3.18Å; D356-C359 WeakPolarHBondContact O-CB 3.32Å; D356-C359 PolarHBondContact O-N 3.33Å; C359-S473 CarbonylContact C-O 3.55Å; C359-S473 WeakPolarHBondContact CA-O 3.5Å
360	Y	97.3	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.4	157.8	175.1	-88	0	0	0	108.7	D362 M470 S472 S473 L484 W485 P494	Y360-D362 HydrophobicContact CE1-CB 3.98Å; Y360-M470 HydrophobicContact CD1-CE 3.53Å; Y360-M470 HydrophobicContact CD1-CG 4.21Å; Y360-M470 HydrophobicContact CD1-SD 4.33Å; Y360-M470 HydrophobicContact CD2-CE 4.39Å; Y360-M470 HydrophobicContact CE1-CE 3.83Å; Y360-M470 HydrophobicContact CE1-CG 4.09Å; Y360-M470 HydrophobicContact CG-CE 3.85Å; Y360-S472 WeakPolarHBondContact O-CA 3.36Å; Y360-S473 PolarHBondContact N-O 2.9Å; Y360-S473 PolarHBondContact O-N 3.29Å; Y360-S473 VanDerWaalsContact O-N 3.09Å; Y360-L484 HydrophobicContact CD2-CB 3.86Å; Y360-L484 HydrophobicContact CD2-CD1 4.12Å; Y360-L484 HydrophobicContact CE2-CB 4.23Å; Y360-L484 HydrophobicContact CG-CD1 4.33Å; Y360-W485 AromaticContact CD2-CD1 3.73Å; Y360-W485 AromaticContact CD2-CE2 3.9Å; Y360-W485 HydrophobicContact CD2-CZ2 4.38Å; Y360-W485 AromaticContact CD2-NE1 3.26Å; Y360-W485 VanDerWaalsContact CD2-NE1 3.26Å; Y360-W485 AromaticContact CE2-CD1 3.79Å; Y360-W485 HydrophobicContact CE2-CD2 4.07Å; Y360-W485 AromaticContact CE2-CE2 3.33Å; Y360-W485 HydrophobicContact CE2-CG 4.23Å; Y360-W485 AromaticContact CE2-CZ2 3.59Å; Y360-W485 HydrophobicContact CE2-CZ2 3.59Å; Y360-W485 AromaticContact CE2-NE1 3.22Å; Y360-W485 AromaticContact CZ-CE2 3.98Å; Y360-W485 AromaticContact CZ-CZ2 3.72Å; Y360-P494 HydrophobicContact CE1-CB 4.43Å; Y360-P494 HydrophobicContact CE1-CG 4.2Å; Y360-P494 HydrophobicContact CE2-CB 3.75Å; Y360-P494 HydrophobicContact CE2-CG 4.39Å
361	I	97.1	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	121.7	177.4	-103.9	-78.6	0	0	0	110.6	W74 L353 L363 W460 L471 W485	W74-I361 HydrophobicContact CD2-CG2 4.11Å; W74-I361 HydrophobicContact CE3-CG2 4.2Å; W74-I361 HydrophobicContact CG-CG2 4.49Å; L353-I361 HydrophobicContact CD1-CD1 4.45Å; L353-I361 HydrophobicContact CD2-CD1 4.31Å; I361-L363 HydrophobicContact CG2-CD1 4.4Å; I361-L363 HydrophobicContact CG2-CD2 3.6Å; I361-L363 HydrophobicContact CG2-CG 3.55Å; I361-W460 HydrophobicContact CD1-CH2 4.28Å; I361-W460 HydrophobicContact CD1-CZ3 3.83Å; I361-L471 CarbonylContact C-O 3.57Å; I361-L471 WeakPolarHBondContact CA-O 3.31Å; I361-W485 WeakPolarHBondContact O-CZ2 3.37Å
362	D	96.7	Very high	96.2	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.027	15%	0.154	C	C	.	.			trans	-97	88	173.4	-171.8	-23.1	0	0	0	110.4	Y360 E364 A365 V366 L471 K488	Y360-D362 HydrophobicContact CE1-CB 3.98Å; D362-E364 VanDerWaalsContact C-N 3.29Å; D362-E364 PolarHBondContact O-N 2.88Å; D362-E364 PolarHBondContact OD1-N 2.81Å; D362-A365 HydrophobicContact CB-CB 3.95Å; D362-A365 VanDerWaalsContact CG-CB 3.44Å; D362-A365 PolarHBondContact O-N 2.88Å; D362-A365 WeakPolarHBondContact OD1-CB 3.47Å; D362-A365 PolarHBondContact OD1-N 2.85Å; D362-V366 VanDerWaalsContact O-CG2 3.31Å; D362-V366 WeakPolarHBondContact O-CG2 3.18Å; D362-V366 PolarHBondContact O-N 3.43Å; D362-L471 PolarHBondContact N-O 2.89Å; D362-K488 WeakPolarHBondContact OD2-CE 3.49Å; D362-K488 IonicContact OD2-NZ 3.54Å; D362-K488 PolarHBondContact OD2-NZ 3.41Å
363	L	94.9	Very high	95.7	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-31.4	-176.8	-69.8	176.6	0	0	0	113.2	V55 W74 L78 L353 I361 V366 F367	V55-L363 HydrophobicContact CG2-CD2 4.09Å; W74-L363 HydrophobicContact CE3-CD1 3.85Å; W74-L363 HydrophobicContact CE3-CG 4.5Å; W74-L363 HydrophobicContact CZ3-CD1 4.01Å; L78-L363 HydrophobicContact CB-CD1 4.18Å; L78-L363 HydrophobicContact CD1-CD1 3.95Å; L78-L363 HydrophobicContact CD2-CD1 3.69Å; L78-L363 HydrophobicContact CG-CD1 4.14Å; L353-L363 HydrophobicContact CD1-CD2 3.95Å; I361-L363 HydrophobicContact CG2-CD1 4.4Å; I361-L363 HydrophobicContact CG2-CD2 3.6Å; I361-L363 HydrophobicContact CG2-CG 3.55Å; L363-V366 PolarHBondContact O-N 3.2Å; L363-F367 WeakPolarHBondContact O-CD2 3.28Å; L363-F367 PolarHBondContact O-N 3.09Å
364	E	93.6	Very high	95.4	Very high	76 Å²	76	38.2 Å²	38.2	36%	0.355	20%	0.2	S	C	.	.	H	α-helix	trans	-66.6	-46.4	177	-168.7	-171.3	163.7	0	0	110.3	L84 D362 V366 F367 N368	L84-E364 HydrophobicContact CD1-CB 4.5Å; D362-E364 VanDerWaalsContact C-N 3.29Å; D362-E364 PolarHBondContact O-N 2.88Å; D362-E364 PolarHBondContact OD1-N 2.81Å; E364-V366 VanDerWaalsContact C-N 3.31Å; E364-V366 PolarHBondContact O-N 2.9Å; E364-F367 PolarHBondContact O-N 3.02Å; E364-N368 WeakPolarHBondContact O-CB 3.32Å; E364-N368 PolarHBondContact O-N 2.76Å; E364-N368 PolarHBondContact O-ND2 2.76Å
365	A	95.3	Very high	95	Very high	23 Å²	23	38.2 Å²	38.2	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-39	175.4	0	0	0	0	0	112.1	D362 N368 R369 L471	D362-A365 HydrophobicContact CB-CB 3.95Å; D362-A365 VanDerWaalsContact CG-CB 3.44Å; D362-A365 PolarHBondContact O-N 2.88Å; D362-A365 WeakPolarHBondContact OD1-CB 3.47Å; D362-A365 PolarHBondContact OD1-N 2.85Å; A365-N368 PolarHBondContact O-N 3.46Å; A365-R369 WeakPolarHBondContact O-CB 3.41Å; A365-R369 WeakPolarHBondContact O-CG 3.46Å; A365-R369 PolarHBondContact O-N 2.79Å; A365-L471 HydrophobicContact CB-CD2 3.6Å
366	V	96.5	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-50.4	174.3	168.6	0	0	0	0	110.7	L353 D362 L363 E364 N368 R369 I370 W382 V417 W460 L471	L353-V366 HydrophobicContact CD1-CG1 3.84Å; L353-V366 HydrophobicContact CD1-CG2 4.48Å; D362-V366 VanDerWaalsContact O-CG2 3.31Å; D362-V366 WeakPolarHBondContact O-CG2 3.18Å; D362-V366 PolarHBondContact O-N 3.43Å; L363-V366 PolarHBondContact O-N 3.2Å; E364-V366 VanDerWaalsContact C-N 3.31Å; E364-V366 PolarHBondContact O-N 2.9Å; V366-N368 PolarHBondContact O-N 2.8Å; V366-R369 PolarHBondContact O-N 3.19Å; V366-I370 HydrophobicContact CG1-CD1 3.96Å; V366-I370 WeakPolarHBondContact O-CG1 3.5Å; V366-I370 PolarHBondContact O-N 3.34Å; V366-W382 HydrophobicContact CG1-CH2 4.2Å; V366-W382 HydrophobicContact CG1-CZ3 3.86Å; V366-V417 HydrophobicContact CG1-CG2 4.45Å; V366-W460 HydrophobicContact CG1-CZ2 4.47Å; V366-W460 HydrophobicContact CG2-CH2 3.99Å; V366-W460 HydrophobicContact CG2-CZ2 4.08Å; V366-L471 HydrophobicContact CG2-CB 4.1Å; V366-L471 HydrophobicContact CG2-CD2 4.1Å
367	F	94.4	Very high	93.9	Very high	21 Å²	21	44.4 Å²	44.4	9%	0.092	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-43.7	179.6	-95.5	-98.4	0	0	0	112.9	D52 V53 L84 V88 L363 E364 R369 I370 A371	D52-F367 HydrophobicContact CB-CE1 4.22Å; D52-F367 HydrophobicContact CB-CZ 4.5Å; V53-F367 HydrophobicContact CB-CE2 4.01Å; V53-F367 HydrophobicContact CB-CZ 3.73Å; V53-F367 HydrophobicContact CG2-CE1 3.97Å; V53-F367 HydrophobicContact CG2-CE2 3.65Å; V53-F367 HydrophobicContact CG2-CZ 3.24Å; L84-F367 HydrophobicContact CD2-CB 4.27Å; L84-F367 HydrophobicContact CD2-CD1 3.61Å; L84-F367 HydrophobicContact CD2-CD2 4.03Å; L84-F367 HydrophobicContact CD2-CE1 3.85Å; L84-F367 HydrophobicContact CD2-CE2 4.25Å; L84-F367 HydrophobicContact CD2-CG 3.69Å; L84-F367 HydrophobicContact CD2-CZ 4.16Å; V88-F367 HydrophobicContact CG2-CE1 4.47Å; V88-F367 HydrophobicContact CG2-CE2 3.43Å; V88-F367 VanDerWaalsContact CG2-CE2 3.43Å; V88-F367 HydrophobicContact CG2-CZ 3.36Å; L363-F367 WeakPolarHBondContact O-CD2 3.28Å; L363-F367 PolarHBondContact O-N 3.09Å; E364-F367 PolarHBondContact O-N 3.02Å; F367-R369 PolarHBondContact O-N 2.58Å; F367-I370 PolarHBondContact O-N 3Å; F367-A371 PolarHBondContact O-N 3.33Å; F367-A371 VanDerWaalsContact O-N 3.09Å
368	N	93.8	Very high	93.8	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-39.8	176	-74.4	-27.4	0	0	0	111.1	E364 A365 V366 Q372	E364-N368 WeakPolarHBondContact O-CB 3.32Å; E364-N368 PolarHBondContact O-N 2.76Å; E364-N368 PolarHBondContact O-ND2 2.76Å; A365-N368 PolarHBondContact O-N 3.46Å; V366-N368 PolarHBondContact O-N 2.8Å; N368-Q372 WeakPolarHBondContact O-CB 3.34Å; N368-Q372 WeakPolarHBondContact O-CG 3.36Å; N368-Q372 PolarHBondContact O-N 3.18Å
369	R	95.1	Very high	93.7	Very high	64 Å²	64	49.5 Å²	49.5	24%	0.242	27%	0.273	C	S	.	.	H	α-helix	trans	-72.3	-37.5	176.9	-77.5	-178.2	-179.6	-92.1	-21.1	114	A365 V366 F367 A371 Q372 K373 W382 D457	A365-R369 WeakPolarHBondContact O-CB 3.41Å; A365-R369 WeakPolarHBondContact O-CG 3.46Å; A365-R369 PolarHBondContact O-N 2.79Å; V366-R369 PolarHBondContact O-N 3.19Å; F367-R369 PolarHBondContact O-N 2.58Å; R369-A371 VanDerWaalsContact C-N 3.27Å; R369-A371 PolarHBondContact O-N 3.47Å; R369-Q372 PolarHBondContact O-N 2.81Å; R369-K373 VanDerWaalsContact O-CB 3.3Å; R369-K373 WeakPolarHBondContact O-CB 3.38Å; R369-K373 WeakPolarHBondContact O-CG 3.35Å; R369-K373 PolarHBondContact O-N 2.85Å; R369-W382 HydrophobicContact CB-CH2 3.57Å; R369-W382 HydrophobicContact CB-CZ2 3.76Å; R369-D457 IonicContact CZ-OD2 3.57Å; R369-D457 IonicContact NH1-OD1 3.69Å; R369-D457 IonicContact NH1-OD2 3.88Å; R369-D457 PolarHBondContact NH1-OD2 2.91Å
370	I	94.7	Very high	93.7	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-47.6	173	-71.8	167.9	0	0	0	109.6	V53 L351 V366 F367 N374 L375 W382	V53-I370 HydrophobicContact CG2-CD1 4.42Å; L351-I370 HydrophobicContact CD1-CD1 3.93Å; L351-I370 HydrophobicContact CD1-CG2 3.98Å; V366-I370 HydrophobicContact CG1-CD1 3.96Å; V366-I370 WeakPolarHBondContact O-CG1 3.5Å; V366-I370 PolarHBondContact O-N 3.34Å; F367-I370 PolarHBondContact O-N 3Å; I370-N374 PolarHBondContact O-N 3.3Å; I370-N374 VanDerWaalsContact O-N 3.11Å; I370-L375 HydrophobicContact CG2-CB 4.19Å; I370-L375 PolarHBondContact O-N 2.67Å; I370-W382 HydrophobicContact CD1-CZ3 4.08Å; I370-W382 HydrophobicContact CG1-CE3 4.03Å; I370-W382 HydrophobicContact CG1-CH2 4.3Å; I370-W382 HydrophobicContact CG1-CZ3 3.46Å; I370-W382 VanDerWaalsContact CG1-CZ3 3.46Å
371	A	92.3	Very high	93.7	Very high	67 Å²	67	49.8 Å²	49.8	55%	0.554	27%	0.274	S	S	*	.	H	α-helix	trans	-65	-47.2	177.5	0	0	0	0	0	112.2	F367 R369 K373 N374	F367-A371 PolarHBondContact O-N 3.33Å; F367-A371 VanDerWaalsContact O-N 3.09Å; R369-A371 VanDerWaalsContact C-N 3.27Å; R369-A371 PolarHBondContact O-N 3.47Å; A371-K373 VanDerWaalsContact C-N 3.32Å; A371-K373 PolarHBondContact O-N 2.64Å; A371-N374 PolarHBondContact O-N 3.1Å; A371-N374 PolarHBondContact O-OD1 2.76Å
372	Q	92.8	Very high	93.7	Very high	146 Å²	146	49.8 Å²	49.8	68%	0.682	27%	0.274	S	S	*	.	H	α-helix	trans	-63	-35.9	-179.7	-74.6	169.2	7.5	0	0	113.4	N368 R369	N368-Q372 WeakPolarHBondContact O-CB 3.34Å; N368-Q372 WeakPolarHBondContact O-CG 3.36Å; N368-Q372 PolarHBondContact O-N 3.18Å; R369-Q372 PolarHBondContact O-N 2.81Å
373	K	89.6	Confident	93.8	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.335	27%	0.273	S	S	.	.	H	α-helix	trans	-88.6	-4	-179.3	-70.4	176.6	-176.5	-81.3	0	113.1	R369 A371 L375 D457	R369-K373 VanDerWaalsContact O-CB 3.3Å; R369-K373 WeakPolarHBondContact O-CB 3.38Å; R369-K373 WeakPolarHBondContact O-CG 3.35Å; R369-K373 PolarHBondContact O-N 2.85Å; A371-K373 VanDerWaalsContact C-N 3.32Å; A371-K373 PolarHBondContact O-N 2.64Å; K373-L375 HydrophobicContact CB-CD1 4.02Å; K373-L375 HydrophobicContact CB-CD2 4.2Å; K373-L375 HydrophobicContact CB-CG 3.66Å; K373-L375 HydrophobicContact CD-CD1 4.01Å; K373-D457 WeakPolarHBondContact CE-OD2 3.33Å; K373-D457 IonicContact NZ-OD2 2.83Å
374	N	90.5	Very high	93.9	Very high	120 Å²	120	50.5 Å²	50.5	64%	0.642	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	54	-171.5	-57.9	-49.7	0	0	0	111.6	I370 A371 D376	I370-N374 PolarHBondContact O-N 3.3Å; I370-N374 VanDerWaalsContact O-N 3.11Å; A371-N374 PolarHBondContact O-N 3.1Å; A371-N374 PolarHBondContact O-OD1 2.76Å; N374-D376 VanDerWaalsContact C-N 3.29Å; N374-D376 PolarHBondContact O-N 3.3Å
375	L	91.1	Very high	94.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.264	C	S	.	.			trans	-89.6	60.8	178.5	-62.9	178.6	0	0	0	111.3	I370 K373 F380 W382 Y455	I370-L375 HydrophobicContact CG2-CB 4.19Å; I370-L375 PolarHBondContact O-N 2.67Å; K373-L375 HydrophobicContact CB-CD1 4.02Å; K373-L375 HydrophobicContact CB-CD2 4.2Å; K373-L375 HydrophobicContact CB-CG 3.66Å; K373-L375 HydrophobicContact CD-CD1 4.01Å; L375-F380 HydrophobicContact CB-CE1 4.27Å; L375-F380 HydrophobicContact CB-CE2 4.06Å; L375-F380 HydrophobicContact CB-CZ 3.81Å; L375-F380 HydrophobicContact CD1-CE2 4.41Å; L375-F380 HydrophobicContact CD2-CD2 4.39Å; L375-F380 WeakPolarHBondContact O-CE1 3.35Å; L375-F380 WeakPolarHBondContact O-CZ 3.32Å; L375-W382 HydrophobicContact CD1-CB 4.02Å; L375-W382 HydrophobicContact CD1-CD2 3.45Å; L375-W382 VanDerWaalsContact CD1-CD2 3.45Å; L375-W382 HydrophobicContact CD1-CE3 3.58Å; L375-W382 HydrophobicContact CD1-CG 3.65Å; L375-W382 HydrophobicContact CD1-CZ3 4.3Å; L375-Y455 HydrophobicContact CD2-CD1 3.74Å; L375-Y455 HydrophobicContact CD2-CD2 3.69Å; L375-Y455 HydrophobicContact CD2-CE1 3.63Å; L375-Y455 HydrophobicContact CD2-CE2 3.57Å; L375-Y455 HydrophobicContact CD2-CG 3.75Å
376	D	84	Confident	94.2	Very high	138 Å²	138	48.9 Å²	48.9	74%	0.738	27%	0.265	S	S	*	.			trans	-121.1	-2.8	-179.7	60.9	-14.2	0	0	0	113.1	N374	N374-D376 VanDerWaalsContact C-N 3.29Å; N374-D376 PolarHBondContact O-N 3.3Å
377	G	88.8	Confident	94.1	Very high	31 Å²	31	53.9 Å²	53.9	32%	0.32	29%	0.291	S	S	.	.	S	Bend	trans	-80.1	171.6	176.9	0	0	0	0	0	114.6	F380	G377-F380 WeakPolarHBondContact O-CD1 3.25Å; G377-F380 WeakPolarHBondContact O-CE1 3.18Å
378	P	95.3	Very high	94	Very high	104 Å²	104	59.7 Å²	59.7	68%	0.675	32%	0.323	S	S	*	.	S	Bend	trans	-77.4	168.7	174.6	33.4	-35.6	0	0	0	112.4	F380	P378-F380 PolarHBondContact O-N 2.72Å
379	N	96.2	Very high	94	Very high	56 Å²	56	61 Å²	61	30%	0.299	32%	0.322	S	S	.	.	S	Bend	trans	51.7	49.1	170.9	-165.4	33.1	0	0	0	115.2	S419 D421 P452 K453	N379-S419 PolarHBondContact N-OG 3.38Å; N379-D421 WeakPolarHBondContact CA-OD2 3.47Å; N379-D421 VanDerWaalsContact N-CG 3.33Å; N379-D421 PolarHBondContact N-OD1 3.21Å; N379-D421 PolarHBondContact N-OD2 2.89Å; N379-P452 VanDerWaalsContact OD1-CA 3.32Å; N379-P452 WeakPolarHBondContact OD1-CA 3.44Å; N379-P452 WeakPolarHBondContact OD1-CB 3.33Å; N379-K453 PolarHBondContact O-N 2.9Å
380	F	97.1	Very high	93.9	Very high	5 Å²	5	61 Å²	61	2%	0.022	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.3	172.7	81.3	-96.7	0	0	0	114.4	L351 L375 G377 P378 W382 V417 I418 S419 I422 K453 Y455	L351-F380 HydrophobicContact CD1-CZ 4.2Å; L351-F380 HydrophobicContact CD2-CE1 3.57Å; L351-F380 HydrophobicContact CD2-CZ 3.37Å; L351-F380 HydrophobicContact CG-CZ 4.41Å; L375-F380 HydrophobicContact CB-CE1 4.27Å; L375-F380 HydrophobicContact CB-CE2 4.06Å; L375-F380 HydrophobicContact CB-CZ 3.81Å; L375-F380 HydrophobicContact CD1-CE2 4.41Å; L375-F380 HydrophobicContact CD2-CD2 4.39Å; L375-F380 WeakPolarHBondContact O-CE1 3.35Å; L375-F380 WeakPolarHBondContact O-CZ 3.32Å; G377-F380 WeakPolarHBondContact O-CD1 3.25Å; G377-F380 WeakPolarHBondContact O-CE1 3.18Å; P378-F380 PolarHBondContact O-N 2.72Å; F380-W382 HydrophobicContact CD2-CB 4.11Å; F380-W382 HydrophobicContact CE2-CB 4.12Å; F380-V417 HydrophobicContact CE2-CG1 4.13Å; F380-V417 HydrophobicContact CZ-CG1 4.35Å; F380-I418 WeakPolarHBondContact O-CA 3.39Å; F380-S419 PolarHBondContact N-OG 3.43Å; F380-S419 PolarHBondContact O-N 2.83Å; F380-I422 VanDerWaalsContact O-CD1 3.22Å; F380-I422 WeakPolarHBondContact O-CD1 3.21Å; F380-K453 WeakPolarHBondContact CA-O 3.46Å; F380-Y455 HydrophobicContact CB-CD2 3.87Å; F380-Y455 HydrophobicContact CB-CE2 3.57Å; F380-Y455 HydrophobicContact CD2-CD2 4.31Å; F380-Y455 HydrophobicContact CG-CD2 4.4Å; F380-Y455 HydrophobicContact CG-CE2 4.22Å
381	W	97.9	Very high	93.6	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117.1	173.4	-173.3	16	0	0	0	109.1	F385 F410 A411 Y416 I418 M443 M447 P452 K453 R454 Y455	W381-F385 HydrophobicContact CB-CZ 4.21Å; W381-F385 AromaticContact CD2-CE1 3.41Å; W381-F385 HydrophobicContact CD2-CE1 3.41Å; W381-F385 VanDerWaalsContact CD2-CE1 3.41Å; W381-F385 AromaticContact CD2-CZ 3.66Å; W381-F385 HydrophobicContact CD2-CZ 3.66Å; W381-F385 AromaticContact CE2-CE1 3.65Å; W381-F385 HydrophobicContact CE3-CD1 4.45Å; W381-F385 AromaticContact CE3-CE1 3.41Å; W381-F385 HydrophobicContact CE3-CE1 3.41Å; W381-F385 VanDerWaalsContact CE3-CE1 3.41Å; W381-F385 AromaticContact CE3-CZ 4Å; W381-F385 HydrophobicContact CE3-CZ 4Å; W381-F385 HydrophobicContact CG-CE1 4.01Å; W381-F385 AromaticContact CG-CZ 3.73Å; W381-F385 HydrophobicContact CG-CZ 3.73Å; W381-F385 AromaticContact CH2-CE1 3.95Å; W381-F385 HydrophobicContact CH2-CE1 3.95Å; W381-F385 AromaticContact CZ2-CE1 3.94Å; W381-F385 HydrophobicContact CZ2-CE1 3.94Å; W381-F385 HydrophobicContact CZ3-CD1 4.35Å; W381-F385 AromaticContact CZ3-CE1 3.66Å; W381-F385 HydrophobicContact CZ3-CE1 3.66Å; W381-F385 WeakPolarHBondContact O-CZ 3.29Å; W381-F410 HydrophobicContact CH2-CB 4.4Å; W381-A411 HydrophobicContact CH2-CB 4.33Å; W381-A411 HydrophobicContact CZ2-CB 3.45Å; W381-A411 VanDerWaalsContact CZ2-CB 3.45Å; W381-Y416 AromaticContact CD1-CD2 3.84Å; W381-Y416 AromaticContact NE1-CD1 3.88Å; W381-Y416 AromaticContact NE1-CD2 3.28Å; W381-Y416 VanDerWaalsContact NE1-CD2 3.28Å; W381-Y416 AromaticContact NE1-CE2 3.95Å; W381-Y416 AromaticContact NE1-CG 3.26Å; W381-Y416 VanDerWaalsContact NE1-CG 3.26Å; W381-I418 HydrophobicContact CB-CG2 4.15Å; W381-I418 HydrophobicContact CG-CG2 3.81Å; W381-M443 HydrophobicContact CH2-CB 4.22Å; W381-M443 HydrophobicContact CZ2-CB 4.17Å; W381-M447 HydrophobicContact CD2-CE 4.41Å; W381-M447 HydrophobicContact CD2-CG 4.25Å; W381-M447 HydrophobicContact CE3-CB 3.85Å; W381-M447 HydrophobicContact CE3-CG 3.58Å; W381-M447 HydrophobicContact CE3-SD 4.21Å; W381-M447 HydrophobicContact CH2-CB 4.36Å; W381-M447 HydrophobicContact CH2-CG 3.95Å; W381-M447 HydrophobicContact CZ3-CB 3.55Å; W381-M447 HydrophobicContact CZ3-CG 3.45Å; W381-M447 VanDerWaalsContact CZ3-CG 3.45Å; W381-P452 HydrophobicContact CB-CB 4.27Å; W381-P452 HydrophobicContact CB-CG 4.11Å; W381-P452 HydrophobicContact CE3-CG 4.22Å; W381-K453 PolarHBondContact N-O 2.9Å; W381-R454 HydrophobicContact CE3-CG 4.38Å; W381-R454 CarbonylContact O-C 3.45Å; W381-R454 VanDerWaalsContact O-CA 3.32Å; W381-R454 WeakPolarHBondContact O-CA 3.46Å; W381-Y455 PolarHBondContact O-N 2.74Å
382	W	98.2	Very high	93.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	-175.1	175.3	40.5	0	0	0	110.8	V366 R369 I370 L375 F380 Y416 V417 Y455 D457 W460 L471	V366-W382 HydrophobicContact CG1-CH2 4.2Å; V366-W382 HydrophobicContact CG1-CZ3 3.86Å; R369-W382 HydrophobicContact CB-CH2 3.57Å; R369-W382 HydrophobicContact CB-CZ2 3.76Å; I370-W382 HydrophobicContact CD1-CZ3 4.08Å; I370-W382 HydrophobicContact CG1-CE3 4.03Å; I370-W382 HydrophobicContact CG1-CH2 4.3Å; I370-W382 HydrophobicContact CG1-CZ3 3.46Å; I370-W382 VanDerWaalsContact CG1-CZ3 3.46Å; L375-W382 HydrophobicContact CD1-CB 4.02Å; L375-W382 HydrophobicContact CD1-CD2 3.45Å; L375-W382 VanDerWaalsContact CD1-CD2 3.45Å; L375-W382 HydrophobicContact CD1-CE3 3.58Å; L375-W382 HydrophobicContact CD1-CG 3.65Å; L375-W382 HydrophobicContact CD1-CZ3 4.3Å; F380-W382 HydrophobicContact CD2-CB 4.11Å; F380-W382 HydrophobicContact CE2-CB 4.12Å; W382-Y416 CarbonylContact O-C 3.59Å; W382-Y416 VanDerWaalsContact O-CA 3.27Å; W382-Y416 WeakPolarHBondContact O-CA 3.37Å; W382-Y416 VanDerWaalsContact O-CB 3.27Å; W382-Y416 WeakPolarHBondContact O-CB 3.34Å; W382-V417 HydrophobicContact CB-CB 4.45Å; W382-V417 HydrophobicContact CE3-CB 3.89Å; W382-V417 HydrophobicContact CE3-CG2 3.71Å; W382-V417 HydrophobicContact CZ3-CG2 3.99Å; W382-V417 PolarHBondContact N-O 3.21Å; W382-V417 PolarHBondContact O-N 3.1Å; W382-Y455 VanDerWaalsContact CD1-O 3.28Å; W382-D457 PolarHBondContact NE1-OD2 2.8Å; W382-W460 HydrophobicContact CD2-CZ2 4.41Å; W382-W460 AromaticContact CD2-NE1 3.94Å; W382-W460 AromaticContact CE2-NE1 3.44Å; W382-W460 HydrophobicContact CE3-CZ2 4.14Å; W382-W460 HydrophobicContact CH2-CZ2 4.04Å; W382-W460 HydrophobicContact CZ2-CZ2 4.34Å; W382-W460 AromaticContact CZ2-NE1 3.57Å; W382-W460 AromaticContact CZ3-CZ2 3.93Å; W382-W460 HydrophobicContact CZ3-CZ2 3.93Å; W382-W460 AromaticContact NE1-NE1 3.63Å; W382-L471 HydrophobicContact CH2-CD1 3.97Å; W382-L471 HydrophobicContact CZ2-CD1 3.6Å
383	G	97.8	Very high	92.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-165	-177.9	0	0	0	0	0	110.9	Y455 Q456 D457	G383-Y455 PolarHBondContact N-O 2.79Å; G383-Y455 VanDerWaalsContact N-O 3.15Å; G383-Q456 CarbonylContact O-C 3.55Å; G383-Q456 WeakPolarHBondContact O-CA 3.33Å; G383-D457 PolarHBondContact O-N 3.31Å
384	N	97.9	Very high	91.8	Very high	27 Å²	27	51.6 Å²	51.6	14%	0.144	29%	0.285	C	S	.	.			trans	-104.9	121.9	171.2	-171.5	-7.3	0	0	0	109.5	A411 C412 Q456 D457 W460 C462	N384-A411 CarbonylContact O-C 3.53Å; N384-A411 VanDerWaalsContact O-CA 3.29Å; N384-A411 WeakPolarHBondContact O-CA 3.45Å; N384-C412 PolarHBondContact O-N 3.14Å; N384-C412 PolarHBondContact O-SG 2.8Å; N384-C412 VanDerWaalsContact O-SG 3.37Å; N384-Q456 PolarHBondContact OD1-NE2 3.41Å; N384-D457 WeakPolarHBondContact CB-O 3.41Å; N384-W460 HydrophobicContact CB-CB 3.86Å; N384-W460 WeakPolarHBondContact CB-O 3.47Å; N384-W460 PolarHBondContact ND2-O 3.36Å; N384-C462 PolarHBondContact ND2-SG 2.92Å
385	F	97.9	Very high	91.2	Very high	13 Å²	13	48.1 Å²	48.1	6%	0.057	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.8	-170.3	-65.3	-87.1	0	0	0	113	W381 L387 F410 A411 R454 Y455	W381-F385 HydrophobicContact CB-CZ 4.21Å; W381-F385 AromaticContact CD2-CE1 3.41Å; W381-F385 HydrophobicContact CD2-CE1 3.41Å; W381-F385 VanDerWaalsContact CD2-CE1 3.41Å; W381-F385 AromaticContact CD2-CZ 3.66Å; W381-F385 HydrophobicContact CD2-CZ 3.66Å; W381-F385 AromaticContact CE2-CE1 3.65Å; W381-F385 HydrophobicContact CE3-CD1 4.45Å; W381-F385 AromaticContact CE3-CE1 3.41Å; W381-F385 HydrophobicContact CE3-CE1 3.41Å; W381-F385 VanDerWaalsContact CE3-CE1 3.41Å; W381-F385 AromaticContact CE3-CZ 4Å; W381-F385 HydrophobicContact CE3-CZ 4Å; W381-F385 HydrophobicContact CG-CE1 4.01Å; W381-F385 AromaticContact CG-CZ 3.73Å; W381-F385 HydrophobicContact CG-CZ 3.73Å; W381-F385 AromaticContact CH2-CE1 3.95Å; W381-F385 HydrophobicContact CH2-CE1 3.95Å; W381-F385 AromaticContact CZ2-CE1 3.94Å; W381-F385 HydrophobicContact CZ2-CE1 3.94Å; W381-F385 HydrophobicContact CZ3-CD1 4.35Å; W381-F385 AromaticContact CZ3-CE1 3.66Å; W381-F385 HydrophobicContact CZ3-CE1 3.66Å; W381-F385 WeakPolarHBondContact O-CZ 3.29Å; F385-L387 HydrophobicContact CB-CD2 4.4Å; F385-F410 CarbonylContact C-O 3.3Å; F385-F410 VanDerWaalsContact CA-O 3.27Å; F385-F410 WeakPolarHBondContact CA-O 3.3Å; F385-A411 HydrophobicContact CD1-CB 4.16Å; F385-A411 HydrophobicContact CE1-CB 3.85Å; F385-A411 HydrophobicContact CZ-CB 4.34Å; F385-R454 HydrophobicContact CD1-CG 4.45Å; F385-R454 HydrophobicContact CD2-CB 4.37Å; F385-R454 HydrophobicContact CE1-CG 3.98Å; F385-R454 HydrophobicContact CE2-CB 3.94Å; F385-R454 HydrophobicContact CE2-CG 4.26Å; F385-R454 HydrophobicContact CZ-CB 4.05Å; F385-R454 HydrophobicContact CZ-CG 3.88Å; F385-Y455 WeakPolarHBondContact CE2-O 3.46Å
386	R	96.2	Very high	90.9	Very high	53 Å²	53	51.8 Å²	51.8	20%	0.2	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139	162.6	-59.8	-170.6	-173.3	-100.6	3.1	109.1	W389 A409 F410 C462 E463	R386-W389 HydrophobicContact CB-CE3 4.32Å; R386-W389 HydrophobicContact CG-CE3 4.43Å; R386-W389 VanDerWaalsContact NH1-CZ3 3.26Å; R386-A409 WeakPolarHBondContact O-CA 3.1Å; R386-F410 HydrophobicContact CB-CD2 4.41Å; R386-F410 HydrophobicContact CB-CE1 4.21Å; R386-F410 HydrophobicContact CB-CE2 4Å; R386-F410 HydrophobicContact CB-CZ 3.87Å; R386-F410 HydrophobicContact CG-CE2 4.14Å; R386-F410 HydrophobicContact CG-CZ 4.35Å; R386-F410 PolarHBondContact N-O 3.49Å; R386-F410 PolarHBondContact O-N 3.49Å; R386-C462 PolarHBondContact NH2-O 2.86Å; R386-E463 IonicContact CZ-OE1 2.62Å; R386-E463 IonicContact NH1-OE1 3.59Å; R386-E463 IonicContact NH2-OE1 3.56Å; R386-E463 PolarHBondContact NH2-OE1 3.03Å
387	L	95.3	Very high	91.2	Very high	105 Å²	105	50.4 Å²	50.4	55%	0.55	28%	0.279	S	S	.	.			trans	-123.8	141.3	-178	-55.3	179.6	0	0	0	109.4	F385 W389 A409	F385-L387 HydrophobicContact CB-CD2 4.4Å; L387-W389 PolarHBondContact O-N 3.01Å; L387-W389 VanDerWaalsContact O-N 3.13Å; L387-A409 HydrophobicContact CD2-CB 3.44Å; L387-A409 VanDerWaalsContact CD2-CB 3.44Å
388	N	92.6	Very high	91.1	Very high	143 Å²	143	49.8 Å²	49.8	77%	0.765	27%	0.267	S	S	*	.	S	Bend	trans	50.7	36.6	176.5	-55.2	-31	0	0	0	113.1	A390	N388-A390 PolarHBondContact O-N 3.36Å
389	W	93.4	Very high	90.7	Very high	109 Å²	109	45.4 Å²	45.4	41%	0.413	24%	0.238	S	C	.	.			trans	-70.7	128.8	178.7	-164	-91.3	0	0	0	109.1	R386 L387 A406 Y407 F410	R386-W389 HydrophobicContact CB-CE3 4.32Å; R386-W389 HydrophobicContact CG-CE3 4.43Å; R386-W389 VanDerWaalsContact NH1-CZ3 3.26Å; L387-W389 PolarHBondContact O-N 3.01Å; L387-W389 VanDerWaalsContact O-N 3.13Å; W389-A406 CarbonylContact O-C 3.59Å; W389-A406 VanDerWaalsContact O-CA 3.22Å; W389-A406 WeakPolarHBondContact O-CA 3.18Å; W389-Y407 HydrophobicContact CB-CD2 4.49Å; W389-Y407 PolarHBondContact O-N 2.74Å; W389-F410 HydrophobicContact CB-CE1 3.72Å; W389-F410 HydrophobicContact CB-CZ 3.99Å; W389-F410 HydrophobicContact CG-CE1 4.2Å; W389-F410 AromaticContact CG-CZ 3.98Å; W389-F410 HydrophobicContact CG-CZ 3.98Å
390	A	91.6	Very high	89.8	Confident	63 Å²	63	44.7 Å²	44.7	52%	0.521	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-64.1	144.5	178.8	0	0	0	0	0	110.6	N388 D392 P405	N388-A390 PolarHBondContact O-N 3.36Å; A390-D392 PolarHBondContact O-N 3.37Å; A390-P405 WeakPolarHBondContact CA-O 3.42Å
391	V	88.6	Confident	89.1	Confident	8 Å²	8	50.2 Å²	50.2	5%	0.048	26%	0.26	C	S	.	.			trans	-80.8	109.1	177.5	178.1	0	0	0	0	108.3	R393 E399 Y402 S404 P405 Y407	V391-R393 PolarHBondContact O-N 3.15Å; V391-E399 HydrophobicContact CG1-CB 3.93Å; V391-E399 HydrophobicContact CG1-CG 4.26Å; V391-Y402 HydrophobicContact CG2-CD1 3.73Å; V391-Y402 HydrophobicContact CG2-CE1 4.24Å; V391-S404 VanDerWaalsContact CG2-O 3.3Å; V391-S404 WeakPolarHBondContact CG2-O 3.45Å; V391-P405 PolarHBondContact N-O 3.17Å; V391-Y407 HydrophobicContact CB-CE1 4.49Å; V391-Y407 HydrophobicContact CB-CE2 4.25Å; V391-Y407 HydrophobicContact CG1-CE1 4.24Å; V391-Y407 HydrophobicContact CG1-CE2 4.43Å; V391-Y407 HydrophobicContact CG2-CD1 3.86Å; V391-Y407 HydrophobicContact CG2-CD2 4.03Å; V391-Y407 HydrophobicContact CG2-CE1 3.69Å; V391-Y407 HydrophobicContact CG2-CE2 3.87Å; V391-Y407 HydrophobicContact CG2-CG 4.05Å
392	D	84.8	Confident	88.5	Confident	56 Å²	56	51.6 Å²	51.6	30%	0.299	27%	0.265	S	S	.	.			trans	-62.5	124.2	172.1	-61.5	-76.4	0	0	0	109.4	A390 W397 Q398 E399	A390-D392 PolarHBondContact O-N 3.37Å; D392-W397 HydrophobicContact CB-CB 4.12Å; D392-Q398 CarbonylContact O-C 3.45Å; D392-Q398 VanDerWaalsContact O-CA 3.27Å; D392-Q398 WeakPolarHBondContact O-CA 3.48Å; D392-E399 PolarHBondContact O-N 3.17Å
393	R	77.6	Confident	87.7	Confident	6 Å²	6	56.5 Å²	56.5	2%	0.023	30%	0.297	C	S	.	.			trans	-98	0.5	172.9	-52.9	-60.1	-179.3	166.7	2.3	112.2	E183 V391 Q398 E399 Y402 S404	E183-R393 HydrophobicContact CG-CB 4.06Å; E183-R393 HydrophobicContact CG-CG 4.15Å; E183-R393 WeakPolarHBondContact OE1-CA 3.15Å; E183-R393 WeakPolarHBondContact OE1-CB 3.34Å; E183-R393 WeakPolarHBondContact OE1-CG 3.14Å; E183-R393 PolarHBondContact OE1-N 2.52Å; V391-R393 PolarHBondContact O-N 3.15Å; R393-Q398 VanDerWaalsContact O-CG 3.31Å; R393-Q398 WeakPolarHBondContact O-CG 3.39Å; R393-Q398 PolarHBondContact O-NE2 2.82Å; R393-E399 VanDerWaalsContact CD-O 3.28Å; R393-E399 WeakPolarHBondContact CD-O 3.37Å; R393-E399 PolarHBondContact NH1-O 2.99Å; R393-Y402 PolarHBondContact NH1-O 2.85Å; R393-Y402 PolarHBondContact NH2-O 2.83Å; R393-S404 PolarHBondContact NH2-O 2.83Å
394	T	74.5	Confident	87.2	Confident	43 Å²	43	58.5 Å²	58.5	26%	0.264	31%	0.311	S	S	.	.	S	Bend	trans	-138.7	165.2	178.8	67	0	0	0	0	112.1	A182	A182-T394 HydrophobicContact CB-CG2 4.37Å
395	G	79.4	Confident	86.5	Confident	48 Å²	48	61.7 Å²	61.7	50%	0.495	33%	0.333	S	S	.	.	S	Bend	trans	71.1	-162.8	175.9	0	0	0	0	0	114.9	W397 Q398	G395-W397 VanDerWaalsContact C-N 3.27Å; G395-W397 PolarHBondContact O-N 2.95Å; G395-Q398 WeakPolarHBondContact O-CB 3.43Å; G395-Q398 PolarHBondContact O-N 3.24Å; G395-Q398 VanDerWaalsContact O-N 3.13Å
396	K	84.7	Confident	86.2	Confident	78 Å²	78	62.5 Å²	62.5	34%	0.339	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-42.2	-176.1	176.9	175.4	176.6	-172.9	0	113	Y110 R330 Q398	Y110-K396 HydrophobicContact CD1-CG 4.32Å; Y110-K396 HydrophobicContact CD2-CG 4.37Å; Y110-K396 HydrophobicContact CE1-CB 4.44Å; Y110-K396 HydrophobicContact CE1-CD 3.92Å; Y110-K396 HydrophobicContact CE1-CG 3.78Å; Y110-K396 HydrophobicContact CE2-CB 3.73Å; Y110-K396 HydrophobicContact CE2-CG 3.82Å; Y110-K396 VanDerWaalsContact CZ-CG 3.5Å; R330-K396 PolarHBondContact NH1-O 2.73Å; R330-K396 VanDerWaalsContact NH1-O 3.11Å; R330-K396 PolarHBondContact NH2-O 3.33Å; R330-K396 VanDerWaalsContact NH2-O 3.12Å; K396-Q398 VanDerWaalsContact C-N 3.28Å; K396-Q398 PolarHBondContact O-N 3.12Å
397	W	89.6	Confident	86.2	Confident	109 Å²	109	60.4 Å²	60.4	41%	0.413	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	9.1	-174.2	-44.5	114.1	0	0	0	113.3	Y329 D392 G395 E399 Q437	Y329-W397 HydrophobicContact CE2-CZ3 4.22Å; Y329-W397 AromaticContact CZ-CZ3 3.67Å; Y329-W397 VanDerWaalsContact OH-CE3 3.31Å; Y329-W397 WeakPolarHBondContact OH-CZ3 3.45Å; D392-W397 HydrophobicContact CB-CB 4.12Å; G395-W397 VanDerWaalsContact C-N 3.27Å; G395-W397 PolarHBondContact O-N 2.95Å; W397-E399 PolarHBondContact O-N 3.05Å; W397-Q437 WeakPolarHBondContact O-CG 3.47Å
398	Q	85.8	Confident	86.2	Confident	18 Å²	18	57 Å²	57	8%	0.084	32%	0.319	C	S	.	.			trans	-49.4	129.7	179	174.7	179	69.7	0	0	112.2	E220 R330 D392 R393 G395 K396 L400 Q437	E220-Q398 PolarHBondContact OE1-NE2 2.93Å; R330-Q398 PolarHBondContact NH1-O 2.94Å; D392-Q398 CarbonylContact O-C 3.45Å; D392-Q398 VanDerWaalsContact O-CA 3.27Å; D392-Q398 WeakPolarHBondContact O-CA 3.48Å; R393-Q398 VanDerWaalsContact O-CG 3.31Å; R393-Q398 WeakPolarHBondContact O-CG 3.39Å; R393-Q398 PolarHBondContact O-NE2 2.82Å; G395-Q398 WeakPolarHBondContact O-CB 3.43Å; G395-Q398 PolarHBondContact O-N 3.24Å; G395-Q398 VanDerWaalsContact O-N 3.13Å; K396-Q398 VanDerWaalsContact C-N 3.28Å; K396-Q398 PolarHBondContact O-N 3.12Å; Q398-L400 HydrophobicContact CG-CD1 4.44Å; Q398-L400 HydrophobicContact CG-CD2 3.94Å; Q398-L400 HydrophobicContact CG-CG 3.84Å; Q398-Q437 VanDerWaalsContact O-CB 3.24Å; Q398-Q437 WeakPolarHBondContact O-CB 3.42Å
399	E	86.9	Confident	86.4	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.056	29%	0.291	C	S	.	.			trans	-133.3	112.5	171	177.4	53.6	-112.1	0	0	110.1	V391 D392 R393 W397 E401 Y402 Y407 Y436 Q437	V391-E399 HydrophobicContact CG1-CB 3.93Å; V391-E399 HydrophobicContact CG1-CG 4.26Å; D392-E399 PolarHBondContact O-N 3.17Å; R393-E399 VanDerWaalsContact CD-O 3.28Å; R393-E399 WeakPolarHBondContact CD-O 3.37Å; R393-E399 PolarHBondContact NH1-O 2.99Å; W397-E399 PolarHBondContact O-N 3.05Å; E399-E401 WeakPolarHBondContact OE1-CA 3.41Å; E399-E401 PolarHBondContact OE1-N 2.84Å; E399-Y402 VanDerWaalsContact CG-CB 3.47Å; E399-Y402 PolarHBondContact OE1-N 3.11Å; E399-Y407 WeakPolarHBondContact CB-OH 3.38Å; E399-Y407 HydrophobicContact CG-CE1 4.28Å; E399-Y407 WeakPolarHBondContact CG-OH 3.36Å; E399-Y436 HydrophobicContact CG-CD1 4.36Å; E399-Y436 VanDerWaalsContact OE2-CA 3.32Å; E399-Y436 WeakPolarHBondContact OE2-CA 3.36Å; E399-Y436 VanDerWaalsContact OE2-CB 3.26Å; E399-Y436 WeakPolarHBondContact OE2-CB 3.16Å; E399-Y436 WeakPolarHBondContact OE2-CD1 3.49Å; E399-Q437 HydrophobicContact CB-CB 3.99Å; E399-Q437 HydrophobicContact CB-CG 4.03Å; E399-Q437 PolarHBondContact OE2-N 3.49Å
400	L	78.1	Confident	86.6	Confident	42 Å²	42	46.3 Å²	46.3	22%	0.22	27%	0.272	C	S	.	.	S	Bend	trans	-98.3	-17.8	-175.2	-63.9	177.6	0	0	0	113.1	Q398	Q398-L400 HydrophobicContact CG-CD1 4.44Å; Q398-L400 HydrophobicContact CG-CD2 3.94Å; Q398-L400 HydrophobicContact CG-CG 3.84Å
401	E	81.6	Confident	86.9	Confident	120 Å²	120	43.3 Å²	43.3	56%	0.561	25%	0.247	S	C	*	.	S	Bend	trans	-104.8	-6.8	-170.5	-51.4	-173.7	-150	0	0	113.1	E399 K434	E399-E401 WeakPolarHBondContact OE1-CA 3.41Å; E399-E401 PolarHBondContact OE1-N 2.84Å; E401-K434 WeakPolarHBondContact OE2-CE 3.38Å; E401-K434 IonicContact OE2-NZ 3.57Å; E401-K434 PolarHBondContact OE2-NZ 3.25Å
402	Y	86.9	Confident	87.1	Confident	31 Å²	31	43 Å²	43	12%	0.122	25%	0.246	C	C	.	.			trans	-84.3	119.9	172.7	-168	-115.6	0	0	0	110.7	V391 R393 E399 Y407 P408 Y436 I445	V391-Y402 HydrophobicContact CG2-CD1 3.73Å; V391-Y402 HydrophobicContact CG2-CE1 4.24Å; R393-Y402 PolarHBondContact NH1-O 2.85Å; R393-Y402 PolarHBondContact NH2-O 2.83Å; E399-Y402 VanDerWaalsContact CG-CB 3.47Å; E399-Y402 PolarHBondContact OE1-N 3.11Å; Y402-Y407 AromaticContact CD1-CD1 3.54Å; Y402-Y407 HydrophobicContact CD1-CD1 3.54Å; Y402-Y407 AromaticContact CD1-CE1 3.57Å; Y402-Y407 HydrophobicContact CD1-CE1 3.57Å; Y402-Y407 AromaticContact CE1-CD1 3.62Å; Y402-Y407 HydrophobicContact CE1-CD1 3.62Å; Y402-Y407 HydrophobicContact CE1-CE1 4.15Å; Y402-Y407 HydrophobicContact CG-CD1 4.26Å; Y402-Y407 HydrophobicContact CG-CE1 4.03Å; Y402-P408 VanDerWaalsContact OH-CD 3.31Å; Y402-P408 WeakPolarHBondContact OH-CD 3.37Å; Y402-Y436 AromaticContact CD2-CE1 3.88Å; Y402-Y436 HydrophobicContact CD2-CE1 3.88Å; Y402-Y436 HydrophobicContact CG-CE1 4.43Å; Y402-I445 HydrophobicContact CD2-CD1 3.62Å; Y402-I445 HydrophobicContact CD2-CG1 4.3Å; Y402-I445 HydrophobicContact CE2-CD1 3.74Å; Y402-I445 HydrophobicContact CE2-CG1 3.9Å; Y402-I445 HydrophobicContact CE2-CG2 4.34Å; Y402-I445 HydrophobicContact CG-CD1 4.14Å
403	P	81.1	Confident	87.3	Confident	102 Å²	102	41.2 Å²	41.2	66%	0.662	24%	0.241	S	C	*	.			trans	-81	-19.6	-167	29.9	-36.4	0	0	0	114.4
404	S	86.2	Confident	88	Confident	43 Å²	43	41 Å²	41	30%	0.301	24%	0.24	S	C	.	.	S	Bend	trans	-80.8	151.3	179.6	170.1	0	0	0	0	110.6	V391 R393 A406	V391-S404 VanDerWaalsContact CG2-O 3.3Å; V391-S404 WeakPolarHBondContact CG2-O 3.45Å; R393-S404 PolarHBondContact NH2-O 2.83Å; S404-A406 PolarHBondContact O-N 2.93Å; S404-A406 PolarHBondContact OG-N 2.91Å; S404-A406 PolarHBondContact OG-O 3.37Å
405	P	83.6	Confident	89.1	Confident	94 Å²	94	39 Å²	39	61%	0.61	23%	0.227	S	C	*	.	S	Bend	trans	-72.9	-16.1	172.4	29.9	-36.6	0	0	0	113.5	A390 V391	A390-P405 WeakPolarHBondContact CA-O 3.42Å; V391-P405 PolarHBondContact N-O 3.17Å
406	A	92	Very high	90	Very high	30 Å²	30	36.7 Å²	36.7	25%	0.248	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-137.9	144.4	179.4	0	0	0	0	0	111.8	W389 S404	W389-A406 CarbonylContact O-C 3.59Å; W389-A406 VanDerWaalsContact O-CA 3.22Å; W389-A406 WeakPolarHBondContact O-CA 3.18Å; S404-A406 PolarHBondContact O-N 2.93Å; S404-A406 PolarHBondContact OG-N 2.91Å; S404-A406 PolarHBondContact OG-O 3.37Å
407	Y	95.9	Very high	90.6	Very high	8 Å²	8	33 Å²	33	3%	0.031	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-75.8	152	178	-64	-61.8	0	0	0	112.6	W389 V391 E399 Y402 F410 V441 I445	W389-Y407 HydrophobicContact CB-CD2 4.49Å; W389-Y407 PolarHBondContact O-N 2.74Å; V391-Y407 HydrophobicContact CB-CE1 4.49Å; V391-Y407 HydrophobicContact CB-CE2 4.25Å; V391-Y407 HydrophobicContact CG1-CE1 4.24Å; V391-Y407 HydrophobicContact CG1-CE2 4.43Å; V391-Y407 HydrophobicContact CG2-CD1 3.86Å; V391-Y407 HydrophobicContact CG2-CD2 4.03Å; V391-Y407 HydrophobicContact CG2-CE1 3.69Å; V391-Y407 HydrophobicContact CG2-CE2 3.87Å; V391-Y407 HydrophobicContact CG2-CG 4.05Å; E399-Y407 WeakPolarHBondContact CB-OH 3.38Å; E399-Y407 HydrophobicContact CG-CE1 4.28Å; E399-Y407 WeakPolarHBondContact CG-OH 3.36Å; Y402-Y407 AromaticContact CD1-CD1 3.54Å; Y402-Y407 HydrophobicContact CD1-CD1 3.54Å; Y402-Y407 AromaticContact CD1-CE1 3.57Å; Y402-Y407 HydrophobicContact CD1-CE1 3.57Å; Y402-Y407 AromaticContact CE1-CD1 3.62Å; Y402-Y407 HydrophobicContact CE1-CD1 3.62Å; Y402-Y407 HydrophobicContact CE1-CE1 4.15Å; Y402-Y407 HydrophobicContact CG-CD1 4.26Å; Y402-Y407 HydrophobicContact CG-CE1 4.03Å; Y407-F410 HydrophobicContact CD2-CE1 4.13Å; Y407-F410 HydrophobicContact CG-CE1 4.43Å; Y407-V441 HydrophobicContact CD1-CG1 3.56Å; Y407-V441 HydrophobicContact CD2-CG1 4.35Å; Y407-V441 HydrophobicContact CD2-CG2 4.08Å; Y407-V441 HydrophobicContact CE1-CG1 3.27Å; Y407-V441 HydrophobicContact CE2-CG1 4.11Å; Y407-V441 HydrophobicContact CE2-CG2 3.9Å; Y407-V441 HydrophobicContact CG-CG1 4.09Å; Y407-V441 HydrophobicContact CG-CG2 4.46Å; Y407-I445 HydrophobicContact CD1-CD1 4.18Å; Y407-I445 HydrophobicContact CE1-CD1 4.34Å
408	P	96.4	Very high	91	Very high	35 Å²	35	27.8 Å²	27.8	23%	0.227	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-59.7	166.5	161.6	-16.5	32.9	0	0	0	110	Y402 F410 I445 A448	Y402-P408 VanDerWaalsContact OH-CD 3.31Å; Y402-P408 WeakPolarHBondContact OH-CD 3.37Å; P408-F410 WeakPolarHBondContact O-CD1 3.35Å; P408-F410 PolarHBondContact O-N 3.36Å; P408-I445 HydrophobicContact CG-CG1 4.35Å; P408-A448 HydrophobicContact CB-CB 4.06Å; P408-A448 HydrophobicContact CG-CB 4.08Å
409	A	96.8	Very high	91.6	Very high	20 Å²	20	27 Å²	27	17%	0.165	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-59.6	130.8	178.4	0	0	0	0	0	112.1	R386 L387 G444	R386-A409 WeakPolarHBondContact O-CA 3.1Å; L387-A409 HydrophobicContact CD2-CB 3.44Å; L387-A409 VanDerWaalsContact CD2-CB 3.44Å; A409-G444 WeakPolarHBondContact O-CA 3.46Å
410	F	97.4	Very high	92.2	Very high	6 Å²	6	30 Å²	30	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.5	174.6	58.8	-89.8	0	0	0	111.5	W381 F385 R386 W389 Y407 P408 D440 V441	W381-F410 HydrophobicContact CH2-CB 4.4Å; F385-F410 CarbonylContact C-O 3.3Å; F385-F410 VanDerWaalsContact CA-O 3.27Å; F385-F410 WeakPolarHBondContact CA-O 3.3Å; R386-F410 HydrophobicContact CB-CD2 4.41Å; R386-F410 HydrophobicContact CB-CE1 4.21Å; R386-F410 HydrophobicContact CB-CE2 4Å; R386-F410 HydrophobicContact CB-CZ 3.87Å; R386-F410 HydrophobicContact CG-CE2 4.14Å; R386-F410 HydrophobicContact CG-CZ 4.35Å; R386-F410 PolarHBondContact N-O 3.49Å; R386-F410 PolarHBondContact O-N 3.49Å; W389-F410 HydrophobicContact CB-CE1 3.72Å; W389-F410 HydrophobicContact CB-CZ 3.99Å; W389-F410 HydrophobicContact CG-CE1 4.2Å; W389-F410 AromaticContact CG-CZ 3.98Å; W389-F410 HydrophobicContact CG-CZ 3.98Å; Y407-F410 HydrophobicContact CD2-CE1 4.13Å; Y407-F410 HydrophobicContact CG-CE1 4.43Å; P408-F410 WeakPolarHBondContact O-CD1 3.35Å; P408-F410 PolarHBondContact O-N 3.36Å; F410-D440 WeakPolarHBondContact CB-O 3.38Å; F410-D440 HydrophobicContact CD2-CB 3.96Å; F410-V441 HydrophobicContact CD1-CG2 4.46Å; F410-V441 HydrophobicContact CE1-CG2 4.22Å; F410-V441 HydrophobicContact CE2-CG2 4.45Å; F410-V441 HydrophobicContact CZ-CG2 4.21Å
411	A	97.1	Very high	93.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.3	174.1	0	0	0	0	0	110.4	W381 N384 F385 Y416 D440	W381-A411 HydrophobicContact CH2-CB 4.33Å; W381-A411 HydrophobicContact CZ2-CB 3.45Å; W381-A411 VanDerWaalsContact CZ2-CB 3.45Å; N384-A411 CarbonylContact O-C 3.53Å; N384-A411 VanDerWaalsContact O-CA 3.29Å; N384-A411 WeakPolarHBondContact O-CA 3.45Å; F385-A411 HydrophobicContact CD1-CB 4.16Å; F385-A411 HydrophobicContact CE1-CB 3.85Å; F385-A411 HydrophobicContact CZ-CB 4.34Å; A411-Y416 HydrophobicContact CB-CD1 3.76Å; A411-Y416 HydrophobicContact CB-CG 4.11Å; A411-D440 WeakPolarHBondContact O-CB 3.27Å
412	C	93.5	Very high	93.9	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	16%	0.158	C	C	.	.			trans	-62.1	147.2	175	-65.2	0	0	0	0	112	N384 S414 G415 C462	N384-C412 PolarHBondContact O-N 3.14Å; N384-C412 PolarHBondContact O-SG 2.8Å; N384-C412 VanDerWaalsContact O-SG 3.37Å; C412-S414 PolarHBondContact O-N 2.8Å; C412-S414 VanDerWaalsContact O-N 3.1Å; C412-G415 PolarHBondContact O-N 2.93Å; C412-C462 HydrophobicContact CB-CB 3.71Å; C412-C462 WeakPolarHBondContact CB-SG 3.47Å; C412-C462 WeakPolarHBondContact SG-CB 3.43Å; C412-C462 CovalentContact SG-SG 2.02Å; C412-C462 PolarHBondContact SG-SG 2.82Å
413	G	88.1	Confident	94.5	Very high	19 Å²	19	24 Å²	24	20%	0.196	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23	-173.7	0	0	0	0	0	115.4	K354 G415	K354-G413 PolarHBondContact NZ-O 2.83Å; G413-G415 PolarHBondContact O-N 2.88Å; G413-G415 VanDerWaalsContact O-N 3.08Å
414	S	92.8	Very high	95.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.9	-178.8	66.4	0	0	0	0	114.8	T355 C412 L461 S472	T355-S414 PolarHBondContact OG1-O 3.16Å; C412-S414 PolarHBondContact O-N 2.8Å; C412-S414 VanDerWaalsContact O-N 3.1Å; S414-L461 WeakPolarHBondContact CB-O 3.33Å; S414-L461 PolarHBondContact OG-O 2.83Å; S414-S472 WeakPolarHBondContact O-CB 3.2Å; S414-S472 PolarHBondContact OG-OG 2.03Å
415	G	96.4	Very high	95.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.			trans	145.3	165.1	166.6	0	0	0	0	0	114.1	K354 C412 G413 W460	K354-G415 CarbonylContact O-C 3.54Å; K354-G415 WeakPolarHBondContact O-CA 3.17Å; C412-G415 PolarHBondContact O-N 2.93Å; G413-G415 PolarHBondContact O-N 2.88Å; G413-G415 VanDerWaalsContact O-N 3.08Å; G415-W460 VanDerWaalsContact C-CZ3 3.5Å
416	Y	98.3	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	164.8	176.8	55.8	-102.4	0	0	0	110.7	L336 Y340 L353 K354 W381 W382 A411 I418 E439 M443	L336-Y416 WeakPolarHBondContact CD2-OH 3.38Å; Y340-Y416 PolarHBondContact OH-OH 3.41Å; Y340-Y416 VanDerWaalsContact OH-OH 3.14Å; L353-Y416 CarbonylContact C-O 3.55Å; L353-Y416 WeakPolarHBondContact CA-O 2.99Å; K354-Y416 HydrophobicContact CB-CD2 4.29Å; K354-Y416 HydrophobicContact CB-CE1 4.17Å; K354-Y416 HydrophobicContact CB-CE2 3.74Å; K354-Y416 HydrophobicContact CD-CD1 4.29Å; K354-Y416 HydrophobicContact CD-CE1 3.64Å; K354-Y416 HydrophobicContact CG-CE1 4.25Å; K354-Y416 PolarHBondContact N-O 3.19Å; K354-Y416 PolarHBondContact O-N 3.49Å; K354-Y416 VanDerWaalsContact O-N 3.1Å; W381-Y416 AromaticContact CD1-CD2 3.84Å; W381-Y416 AromaticContact NE1-CD1 3.88Å; W381-Y416 AromaticContact NE1-CD2 3.28Å; W381-Y416 VanDerWaalsContact NE1-CD2 3.28Å; W381-Y416 AromaticContact NE1-CE2 3.95Å; W381-Y416 AromaticContact NE1-CG 3.26Å; W381-Y416 VanDerWaalsContact NE1-CG 3.26Å; W382-Y416 CarbonylContact O-C 3.59Å; W382-Y416 VanDerWaalsContact O-CA 3.27Å; W382-Y416 WeakPolarHBondContact O-CA 3.37Å; W382-Y416 VanDerWaalsContact O-CB 3.27Å; W382-Y416 WeakPolarHBondContact O-CB 3.34Å; A411-Y416 HydrophobicContact CB-CD1 3.76Å; A411-Y416 HydrophobicContact CB-CG 4.11Å; Y416-I418 HydrophobicContact CD2-CG2 3.95Å; Y416-I418 HydrophobicContact CE2-CD1 4.42Å; Y416-I418 HydrophobicContact CE2-CG2 4.13Å; Y416-E439 WeakPolarHBondContact CE1-OE1 3.34Å; Y416-E439 PolarHBondContact OH-OE1 3.43Å; Y416-M443 HydrophobicContact CE2-CE 3.81Å; Y416-M443 WeakPolarHBondContact OH-CE 3.45Å
417	V	98.6	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.9	173.9	-176.5	0	0	0	0	110.1	L351 L352 L353 V366 F380 W382 W460	L351-V417 HydrophobicContact CB-CG1 4.04Å; L351-V417 HydrophobicContact CD1-CG1 4.2Å; L352-V417 CarbonylContact O-C 3.53Å; L352-V417 VanDerWaalsContact O-CA 3.32Å; L352-V417 WeakPolarHBondContact O-CA 3.31Å; L353-V417 HydrophobicContact CB-CG2 4.15Å; L353-V417 HydrophobicContact CD1-CG2 3.99Å; L353-V417 HydrophobicContact CG-CG2 4.04Å; V366-V417 HydrophobicContact CG1-CG2 4.45Å; F380-V417 HydrophobicContact CE2-CG1 4.13Å; F380-V417 HydrophobicContact CZ-CG1 4.35Å; W382-V417 HydrophobicContact CB-CB 4.45Å; W382-V417 HydrophobicContact CE3-CB 3.89Å; W382-V417 HydrophobicContact CE3-CG2 3.71Å; W382-V417 HydrophobicContact CZ3-CG2 3.99Å; W382-V417 PolarHBondContact N-O 3.21Å; W382-V417 PolarHBondContact O-N 3.1Å; V417-W460 HydrophobicContact CG2-CH2 3.97Å; V417-W460 HydrophobicContact CG2-CZ2 3.94Å
418	I	98.4	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.2	174.5	53.5	175.5	0	0	0	111.3	Y340 L352 F380 W381 Y416 I422 V423 L426 M443 M447	Y340-I418 HydrophobicContact CE1-CD1 4.23Å; Y340-I418 WeakPolarHBondContact OH-CD1 3.31Å; L352-I418 HydrophobicContact CB-CG1 4.14Å; L352-I418 HydrophobicContact CD2-CD1 4.41Å; L352-I418 HydrophobicContact CD2-CG1 4.29Å; L352-I418 PolarHBondContact N-O 2.97Å; L352-I418 PolarHBondContact O-N 2.77Å; F380-I418 WeakPolarHBondContact O-CA 3.39Å; W381-I418 HydrophobicContact CB-CG2 4.15Å; W381-I418 HydrophobicContact CG-CG2 3.81Å; Y416-I418 HydrophobicContact CD2-CG2 3.95Å; Y416-I418 HydrophobicContact CE2-CD1 4.42Å; Y416-I418 HydrophobicContact CE2-CG2 4.13Å; I418-I422 HydrophobicContact CB-CB 4.47Å; I418-I422 HydrophobicContact CB-CG2 4.25Å; I418-I422 HydrophobicContact CD1-CG2 4.19Å; I418-I422 HydrophobicContact CG2-CG2 4.39Å; I418-V423 HydrophobicContact CD1-CG2 3.54Å; I418-V423 HydrophobicContact CG1-CG2 3.74Å; I418-L426 HydrophobicContact CD1-CD1 4.33Å; I418-M443 HydrophobicContact CD1-CE 4.17Å; I418-M447 HydrophobicContact CG2-CE 4.13Å
419	S	98.3	Very high	97	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	152	175.5	58.9	0	0	0	0	112.1	N379 F380 D421 I422 V423	N379-S419 PolarHBondContact N-OG 3.38Å; F380-S419 PolarHBondContact N-OG 3.43Å; F380-S419 PolarHBondContact O-N 2.83Å; S419-D421 VanDerWaalsContact C-N 3.27Å; S419-D421 WeakPolarHBondContact CB-OD1 3.2Å; S419-D421 PolarHBondContact O-N 3.44Å; S419-D421 PolarHBondContact OG-OD1 3.35Å; S419-I422 WeakPolarHBondContact O-CB 3.41Å; S419-I422 PolarHBondContact O-N 3.41Å; S419-I422 VanDerWaalsContact O-N 3.08Å; S419-V423 PolarHBondContact O-N 2.87Å
420	K	97.9	Very high	97	Very high	75 Å²	75	22.2 Å²	22.2	33%	0.326	13%	0.126	S	C	.	.	H	α-helix	trans	-53.2	-38.5	-178.8	-176.2	-172.4	-159.9	154.1	0	114.4	M344 F349 N350 I422 V423 S424	M344-K420 HydrophobicContact SD-CG 4.3Å; F349-K420 HydrophobicContact CE1-CG 4.49Å; F349-K420 HydrophobicContact CE2-CB 4.09Å; F349-K420 HydrophobicContact CE2-CG 3.99Å; F349-K420 HydrophobicContact CZ-CG 3.96Å; F349-K420 VanDerWaalsContact O-CD 3.27Å; F349-K420 WeakPolarHBondContact O-CD 2.88Å; F349-K420 WeakPolarHBondContact O-CE 3.49Å; F349-K420 PolarHBondContact O-NZ 3.31Å; N350-K420 WeakPolarHBondContact O-CB 3.43Å; N350-K420 PolarHBondContact O-N 3.35Å; K420-I422 VanDerWaalsContact C-N 3.29Å; K420-I422 PolarHBondContact O-N 2.82Å; K420-V423 PolarHBondContact O-N 2.86Å; K420-S424 WeakPolarHBondContact O-CB 3.24Å; K420-S424 PolarHBondContact O-N 3.33Å
421	D	98.1	Very high	96.8	Very high	66 Å²	66	25.6 Å²	25.6	35%	0.353	16%	0.163	S	C	.	.	H	α-helix	trans	-64.8	-33.9	-179.3	61.2	-48.8	0	0	0	112.3	N379 S419 S424 W425	N379-D421 WeakPolarHBondContact CA-OD2 3.47Å; N379-D421 VanDerWaalsContact N-CG 3.33Å; N379-D421 PolarHBondContact N-OD1 3.21Å; N379-D421 PolarHBondContact N-OD2 2.89Å; S419-D421 VanDerWaalsContact C-N 3.27Å; S419-D421 WeakPolarHBondContact CB-OD1 3.2Å; S419-D421 PolarHBondContact O-N 3.44Å; S419-D421 PolarHBondContact OG-OD1 3.35Å; D421-S424 PolarHBondContact O-N 3.31Å; D421-W425 PolarHBondContact O-N 2.99Å
422	I	98.4	Very high	96.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-47.3	171.5	-66.8	179.7	0	0	0	110.5	F380 I418 S419 K420 S424 W425 L426 M447 I450 P452	F380-I422 VanDerWaalsContact O-CD1 3.22Å; F380-I422 WeakPolarHBondContact O-CD1 3.21Å; I418-I422 HydrophobicContact CB-CB 4.47Å; I418-I422 HydrophobicContact CB-CG2 4.25Å; I418-I422 HydrophobicContact CD1-CG2 4.19Å; I418-I422 HydrophobicContact CG2-CG2 4.39Å; S419-I422 WeakPolarHBondContact O-CB 3.41Å; S419-I422 PolarHBondContact O-N 3.41Å; S419-I422 VanDerWaalsContact O-N 3.08Å; K420-I422 VanDerWaalsContact C-N 3.29Å; K420-I422 PolarHBondContact O-N 2.82Å; I422-S424 VanDerWaalsContact C-N 3.26Å; I422-S424 PolarHBondContact O-N 3.47Å; I422-W425 PolarHBondContact O-N 2.92Å; I422-W425 VanDerWaalsContact O-N 3.14Å; I422-L426 HydrophobicContact CG2-CD1 3.81Å; I422-L426 HydrophobicContact CG2-CG 4.43Å; I422-L426 WeakPolarHBondContact O-CG 3.07Å; I422-L426 PolarHBondContact O-N 3.19Å; I422-M447 HydrophobicContact CD1-SD 4.48Å; I422-M447 HydrophobicContact CG2-CE 3.46Å; I422-M447 VanDerWaalsContact CG2-CE 3.46Å; I422-M447 HydrophobicContact CG2-SD 3.76Å; I422-I450 HydrophobicContact CG2-CD1 4.2Å; I422-P452 HydrophobicContact CD1-CB 3.63Å; I422-P452 HydrophobicContact CD1-CG 4.43Å
423	V	98.6	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-44.2	175.8	-176.3	0	0	0	0	110.4	Y340 M344 F349 L352 I418 S419 K420 W425 L426 A427	Y340-V423 HydrophobicContact CD1-CG1 3.89Å; Y340-V423 HydrophobicContact CG-CG1 4.01Å; M344-V423 HydrophobicContact CG-CG1 4.01Å; M344-V423 HydrophobicContact SD-CB 4.38Å; M344-V423 HydrophobicContact SD-CG1 4.09Å; F349-V423 HydrophobicContact CE2-CB 4.42Å; F349-V423 HydrophobicContact CE2-CG2 4.19Å; F349-V423 HydrophobicContact CZ-CB 4.15Å; F349-V423 HydrophobicContact CZ-CG1 3.95Å; F349-V423 HydrophobicContact CZ-CG2 4.38Å; L352-V423 HydrophobicContact CB-CG2 3.68Å; L352-V423 HydrophobicContact CD1-CG1 3.95Å; L352-V423 HydrophobicContact CD1-CG2 3.92Å; L352-V423 HydrophobicContact CG-CG2 4.36Å; I418-V423 HydrophobicContact CD1-CG2 3.54Å; I418-V423 HydrophobicContact CG1-CG2 3.74Å; S419-V423 PolarHBondContact O-N 2.87Å; K420-V423 PolarHBondContact O-N 2.86Å; V423-W425 PolarHBondContact O-N 3.3Å; V423-L426 PolarHBondContact O-N 3.15Å; V423-A427 VanDerWaalsContact O-CB 3.27Å; V423-A427 WeakPolarHBondContact O-CB 3.38Å; V423-A427 PolarHBondContact O-N 3.05Å
424	S	98.4	Very high	97.2	Very high	43 Å²	43	40.5 Å²	40.5	30%	0.301	22%	0.218	S	C	.	.	H	α-helix	trans	-60.3	-43.5	177.2	-172.9	0	0	0	0	112.1	K420 D421 I422 S428	K420-S424 WeakPolarHBondContact O-CB 3.24Å; K420-S424 PolarHBondContact O-N 3.33Å; D421-S424 PolarHBondContact O-N 3.31Å; I422-S424 VanDerWaalsContact C-N 3.26Å; I422-S424 PolarHBondContact O-N 3.47Å; S424-S428 WeakPolarHBondContact O-CB 3.26Å; S424-S428 PolarHBondContact O-N 3.35Å; S424-S428 PolarHBondContact O-OG 2.9Å
425	W	98.4	Very high	97.3	Very high	90 Å²	90	43.1 Å²	43.1	34%	0.341	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-45.4	177.3	-172.1	97.8	0	0	0	111.5	D421 I422 V423 S428 N429 L433 A449 I450	D421-W425 PolarHBondContact O-N 2.99Å; I422-W425 PolarHBondContact O-N 2.92Å; I422-W425 VanDerWaalsContact O-N 3.14Å; V423-W425 PolarHBondContact O-N 3.3Å; W425-S428 PolarHBondContact O-N 3.08Å; W425-N429 HydrophobicContact CZ3-CB 4.47Å; W425-N429 WeakPolarHBondContact O-CB 3.01Å; W425-N429 PolarHBondContact O-N 3.05Å; W425-N429 PolarHBondContact O-ND2 3.12Å; W425-L433 HydrophobicContact CH2-CD2 3.92Å; W425-L433 HydrophobicContact CZ3-CD1 4.01Å; W425-L433 HydrophobicContact CZ3-CD2 3.9Å; W425-A449 HydrophobicContact CH2-CB 4.18Å; W425-I450 HydrophobicContact CD2-CD1 3.82Å; W425-I450 HydrophobicContact CD2-CG1 3.81Å; W425-I450 HydrophobicContact CE3-CD1 3.36Å; W425-I450 HydrophobicContact CE3-CG1 3.65Å; W425-I450 HydrophobicContact CG-CD1 4.33Å; W425-I450 HydrophobicContact CG-CG1 4.43Å; W425-I450 HydrophobicContact CH2-CG1 4.11Å; W425-I450 HydrophobicContact CZ2-CG1 4.26Å; W425-I450 HydrophobicContact CZ3-CD1 3.79Å; W425-I450 HydrophobicContact CZ3-CG1 3.8Å
426	L	98.5	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-46.1	178.7	-68.1	165.9	0	0	0	111.3	L337 Y340 I418 I422 V423 S428 N429 S430 L433 M443 W446 M447 I450	L337-L426 HydrophobicContact CD2-CB 4.3Å; Y340-L426 HydrophobicContact CD2-CB 3.77Å; Y340-L426 HydrophobicContact CD2-CD1 4Å; Y340-L426 HydrophobicContact CE2-CB 4.23Å; Y340-L426 HydrophobicContact CE2-CD1 3.58Å; Y340-L426 HydrophobicContact CE2-CG 4.5Å; I418-L426 HydrophobicContact CD1-CD1 4.33Å; I422-L426 HydrophobicContact CG2-CD1 3.81Å; I422-L426 HydrophobicContact CG2-CG 4.43Å; I422-L426 WeakPolarHBondContact O-CG 3.07Å; I422-L426 PolarHBondContact O-N 3.19Å; V423-L426 PolarHBondContact O-N 3.15Å; L426-S428 PolarHBondContact O-N 3.43Å; L426-N429 CarbonylContact O-C 3.44Å; L426-N429 PolarHBondContact O-N 3.02Å; L426-S430 WeakPolarHBondContact O-CA 3.48Å; L426-S430 PolarHBondContact O-N 2.8Å; L426-L433 HydrophobicContact CD2-CD1 3.87Å; L426-M443 HydrophobicContact CD1-CE 3.84Å; L426-M443 HydrophobicContact CD1-SD 3.92Å; L426-W446 HydrophobicContact CD2-CB 3.92Å; L426-W446 HydrophobicContact CD2-CD2 4.38Å; L426-W446 HydrophobicContact CD2-CE3 3.9Å; L426-W446 HydrophobicContact CD2-CG 4.44Å; L426-M447 HydrophobicContact CD1-CE 3.84Å; L426-I450 HydrophobicContact CD2-CD1 4.35Å; L426-I450 HydrophobicContact CG-CD1 4.42Å
427	A	98.3	Very high	96.8	Very high	10 Å²	10	45.3 Å²	45.3	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-47.9	175.7	0	0	0	0	0	111.9	M344 V423 N429 S430	M344-A427 HydrophobicContact CB-CB 4.35Å; M344-A427 HydrophobicContact CG-CB 3.87Å; V423-A427 VanDerWaalsContact O-CB 3.27Å; V423-A427 WeakPolarHBondContact O-CB 3.38Å; V423-A427 PolarHBondContact O-N 3.05Å; A427-N429 VanDerWaalsContact C-N 3.26Å; A427-N429 PolarHBondContact O-N 2.83Å; A427-S430 WeakPolarHBondContact O-CB 3.49Å; A427-S430 PolarHBondContact O-N 2.93Å; A427-S430 PolarHBondContact O-OG 3.18Å
428	S	97.9	Very high	96.5	Very high	94 Å²	94	45.3 Å²	45.3	66%	0.657	24%	0.243	S	C	*	.	H	α-helix	trans	-66.5	-26.5	-178.5	-55.1	0	0	0	0	113.4	S424 W425 L426	S424-S428 WeakPolarHBondContact O-CB 3.26Å; S424-S428 PolarHBondContact O-N 3.35Å; S424-S428 PolarHBondContact O-OG 2.9Å; W425-S428 PolarHBondContact O-N 3.08Å; L426-S428 PolarHBondContact O-N 3.43Å
429	N	97.9	Very high	96.4	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-104.9	3	-179	-68.3	-79.8	0	0	0	113.6	W425 L426 A427 G431 R432 L433	W425-N429 HydrophobicContact CZ3-CB 4.47Å; W425-N429 WeakPolarHBondContact O-CB 3.01Å; W425-N429 PolarHBondContact O-N 3.05Å; W425-N429 PolarHBondContact O-ND2 3.12Å; L426-N429 CarbonylContact O-C 3.44Å; L426-N429 PolarHBondContact O-N 3.02Å; A427-N429 VanDerWaalsContact C-N 3.26Å; A427-N429 PolarHBondContact O-N 2.83Å; N429-G431 PolarHBondContact O-N 2.72Å; N429-R432 WeakPolarHBondContact O-CA 3.44Å; N429-R432 PolarHBondContact O-N 3.12Å; N429-L433 HydrophobicContact CB-CD1 4.14Å; N429-L433 HydrophobicContact CB-CG 4.08Å; N429-L433 WeakPolarHBondContact O-CG 3.09Å; N429-L433 PolarHBondContact O-N 3.19Å; N429-L433 VanDerWaalsContact O-N 3.11Å
430	S	95.7	Very high	96.3	Very high	16 Å²	16	47 Å²	47	11%	0.112	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-37.2	-174.3	50.6	0	0	0	0	114.8	R341 L426 A427 R432	R341-S430 PolarHBondContact NH2-OG 3Å; L426-S430 WeakPolarHBondContact O-CA 3.48Å; L426-S430 PolarHBondContact O-N 2.8Å; A427-S430 WeakPolarHBondContact O-CB 3.49Å; A427-S430 PolarHBondContact O-N 2.93Å; A427-S430 PolarHBondContact O-OG 3.18Å; S430-R432 VanDerWaalsContact C-N 3.29Å; S430-R432 PolarHBondContact O-N 3.18Å
431	G	93.7	Very high	96.2	Very high	78 Å²	78	43.6 Å²	43.6	80%	0.804	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.1	177.1	0	0	0	0	0	115.7	N429	N429-G431 PolarHBondContact O-N 2.72Å
432	R	95.1	Very high	96.2	Very high	218 Å²	218	40.4 Å²	40.4	82%	0.823	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	-16.9	-178.7	-60	179.1	65.8	148.3	1	112.9	N429 S430	N429-R432 WeakPolarHBondContact O-CA 3.44Å; N429-R432 PolarHBondContact O-N 3.12Å; S430-R432 VanDerWaalsContact C-N 3.29Å; S430-R432 PolarHBondContact O-N 3.18Å
433	L	96.3	Very high	96.2	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.157	22%	0.22	C	C	.	.	S	Bend	trans	-79.7	120.6	179.3	-68.4	174	0	0	0	109.2	L337 W425 L426 N429 W446	L337-L433 HydrophobicContact CD1-CB 4.15Å; L337-L433 HydrophobicContact CD2-CD1 3.9Å; W425-L433 HydrophobicContact CH2-CD2 3.92Å; W425-L433 HydrophobicContact CZ3-CD1 4.01Å; W425-L433 HydrophobicContact CZ3-CD2 3.9Å; L426-L433 HydrophobicContact CD2-CD1 3.87Å; N429-L433 HydrophobicContact CB-CD1 4.14Å; N429-L433 HydrophobicContact CB-CG 4.08Å; N429-L433 WeakPolarHBondContact O-CG 3.09Å; N429-L433 PolarHBondContact O-N 3.19Å; N429-L433 VanDerWaalsContact O-N 3.11Å; L433-W446 HydrophobicContact CB-CD2 4.44Å; L433-W446 HydrophobicContact CB-CG 4.5Å; L433-W446 HydrophobicContact CB-CZ2 4.41Å; L433-W446 HydrophobicContact CD1-CD2 4.13Å; L433-W446 HydrophobicContact CD1-CG 4.12Å; L433-W446 HydrophobicContact CD2-CB 4.4Å; L433-W446 HydrophobicContact CD2-CG 4.05Å; L433-W446 HydrophobicContact CG-CG 4.44Å
434	K	94.9	Very high	96.1	Very high	85 Å²	85	40.5 Å²	40.5	37%	0.37	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-68.9	133.8	172.8	-179.3	172.4	-179.8	173.5	0	109.9	E401 Y436 W446	E401-K434 WeakPolarHBondContact OE2-CE 3.38Å; E401-K434 IonicContact OE2-NZ 3.57Å; E401-K434 PolarHBondContact OE2-NZ 3.25Å; K434-Y436 HydrophobicContact CB-CE2 4.12Å; K434-Y436 HydrophobicContact CD-CE1 4.04Å; K434-Y436 HydrophobicContact CG-CE1 4.36Å; K434-Y436 HydrophobicContact CG-CE2 4.16Å; K434-Y436 WeakPolarHBondContact O-CD2 3.43Å; K434-Y436 WeakPolarHBondContact O-CE2 3.1Å; K434-W446 PolarHBondContact O-NE1 3.04Å
435	T	94.7	Very high	96.1	Very high	57 Å²	57	39.6 Å²	39.6	35%	0.35	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-86.9	141.1	172.7	55.6	0	0	0	0	110.3	P333 A334 W446	P333-T435 HydrophobicContact CB-CG2 3.85Å; A334-T435 HydrophobicContact CB-CG2 4.17Å; T435-W446 HydrophobicContact CG2-CZ2 4.33Å
436	Y	94.4	Very high	96.1	Very high	35 Å²	35	35.6 Å²	35.6	14%	0.137	20%	0.197	C	C	.	.			trans	-118	-177	179.8	-65.2	-85	0	0	0	110.4	P333 E399 Y402 K434 G438 S442 I445	P333-Y436 WeakPolarHBondContact CG-O 3.46Å; E399-Y436 HydrophobicContact CG-CD1 4.36Å; E399-Y436 VanDerWaalsContact OE2-CA 3.32Å; E399-Y436 WeakPolarHBondContact OE2-CA 3.36Å; E399-Y436 VanDerWaalsContact OE2-CB 3.26Å; E399-Y436 WeakPolarHBondContact OE2-CB 3.16Å; E399-Y436 WeakPolarHBondContact OE2-CD1 3.49Å; Y402-Y436 AromaticContact CD2-CE1 3.88Å; Y402-Y436 HydrophobicContact CD2-CE1 3.88Å; Y402-Y436 HydrophobicContact CG-CE1 4.43Å; K434-Y436 HydrophobicContact CB-CE2 4.12Å; K434-Y436 HydrophobicContact CD-CE1 4.04Å; K434-Y436 HydrophobicContact CG-CE1 4.36Å; K434-Y436 HydrophobicContact CG-CE2 4.16Å; K434-Y436 WeakPolarHBondContact O-CD2 3.43Å; K434-Y436 WeakPolarHBondContact O-CE2 3.1Å; Y436-G438 PolarHBondContact O-N 3.17Å; Y436-S442 PolarHBondContact N-OG 3.21Å; Y436-I445 HydrophobicContact CD1-CD1 3.89Å; Y436-I445 HydrophobicContact CD2-CB 4.33Å; Y436-I445 HydrophobicContact CD2-CD1 3.47Å; Y436-I445 VanDerWaalsContact CD2-CD1 3.47Å; Y436-I445 HydrophobicContact CD2-CG1 4.49Å; Y436-I445 HydrophobicContact CD2-CG2 4.35Å; Y436-I445 HydrophobicContact CE1-CD1 4.04Å; Y436-I445 HydrophobicContact CE2-CB 4.08Å; Y436-I445 HydrophobicContact CE2-CD1 3.63Å; Y436-I445 HydrophobicContact CE2-CG1 4.45Å; Y436-I445 HydrophobicContact CE2-CG2 3.62Å; Y436-I445 HydrophobicContact CG-CD1 3.59Å
437	Q	90.4	Very high	96	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.051	20%	0.198	C	C	.	.	S	Bend	trans	-47.4	-32	-169.5	75.4	81.4	16.1	0	0	115.7	Y329 R330 W397 Q398 E399 V441	Y329-Q437 WeakPolarHBondContact CE1-O 3.29Å; R330-Q437 VanDerWaalsContact NH1-CB 3.35Å; R330-Q437 PolarHBondContact NH1-O 3.05Å; W397-Q437 WeakPolarHBondContact O-CG 3.47Å; Q398-Q437 VanDerWaalsContact O-CB 3.24Å; Q398-Q437 WeakPolarHBondContact O-CB 3.42Å; E399-Q437 HydrophobicContact CB-CB 3.99Å; E399-Q437 HydrophobicContact CB-CG 4.03Å; E399-Q437 PolarHBondContact OE2-N 3.49Å; Q437-V441 HydrophobicContact CG-CG1 4.49Å
438	G	93.4	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-151	165.5	-179.1	0	0	0	0	0	112.2	Y436 S442	Y436-G438 PolarHBondContact O-N 3.17Å; G438-S442 VanDerWaalsContact O-CB 3.26Å; G438-S442 WeakPolarHBondContact O-CB 3.33Å; G438-S442 PolarHBondContact O-N 3.39Å; G438-S442 PolarHBondContact O-OG 2.97Å
439	E	95.9	Very high	95.7	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-44.2	-175.5	175.4	-85.1	141.2	0	0	113.2	L58 V332 L336 K354 Y416 S442 M443	L58-E439 HydrophobicContact CD1-CG 4.16Å; V332-E439 HydrophobicContact CG1-CB 3.81Å; V332-E439 HydrophobicContact CG1-CG 4.48Å; L336-E439 HydrophobicContact CB-CG 4.17Å; L336-E439 HydrophobicContact CD2-CG 3.31Å; L336-E439 WeakPolarHBondContact CD2-OE1 3.46Å; L336-E439 HydrophobicContact CG-CG 4.33Å; K354-E439 WeakPolarHBondContact CE-OE2 3.48Å; K354-E439 IonicContact NZ-OE2 3.01Å; K354-E439 PolarHBondContact NZ-OE2 3.22Å; Y416-E439 WeakPolarHBondContact CE1-OE1 3.34Å; Y416-E439 PolarHBondContact OH-OE1 3.43Å; E439-S442 PolarHBondContact O-N 3.02Å; E439-M443 WeakPolarHBondContact O-CB 3.32Å; E439-M443 WeakPolarHBondContact O-CG 3.42Å; E439-M443 PolarHBondContact O-N 2.92Å; E439-M443 WeakPolarHBondContact OE1-CG 3.4Å
440	D	96	Very high	95.5	Very high	28 Å²	28	37.6 Å²	37.6	15%	0.15	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-50.8	178.5	56	-13	0	0	0	111.9	F410 A411 S442 M443 G444	F410-D440 WeakPolarHBondContact CB-O 3.38Å; F410-D440 HydrophobicContact CD2-CB 3.96Å; A411-D440 WeakPolarHBondContact O-CB 3.27Å; D440-S442 PolarHBondContact O-N 3.27Å; D440-M443 PolarHBondContact O-N 2.86Å; D440-G444 PolarHBondContact O-N 2.97Å
441	V	96.2	Very high	95.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-44.7	175.1	167.1	0	0	0	0	111.2	Y407 F410 Q437 M443 G444 I445	Y407-V441 HydrophobicContact CD1-CG1 3.56Å; Y407-V441 HydrophobicContact CD2-CG1 4.35Å; Y407-V441 HydrophobicContact CD2-CG2 4.08Å; Y407-V441 HydrophobicContact CE1-CG1 3.27Å; Y407-V441 HydrophobicContact CE2-CG1 4.11Å; Y407-V441 HydrophobicContact CE2-CG2 3.9Å; Y407-V441 HydrophobicContact CG-CG1 4.09Å; Y407-V441 HydrophobicContact CG-CG2 4.46Å; F410-V441 HydrophobicContact CD1-CG2 4.46Å; F410-V441 HydrophobicContact CE1-CG2 4.22Å; F410-V441 HydrophobicContact CE2-CG2 4.45Å; F410-V441 HydrophobicContact CZ-CG2 4.21Å; Q437-V441 HydrophobicContact CG-CG1 4.49Å; V441-M443 VanDerWaalsContact C-N 3.33Å; V441-M443 PolarHBondContact O-N 2.92Å; V441-G444 PolarHBondContact O-N 2.84Å; V441-I445 HydrophobicContact CG1-CD1 3.89Å; V441-I445 WeakPolarHBondContact O-CG1 3.44Å; V441-I445 PolarHBondContact O-N 3.39Å
442	S	97.4	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-45.6	177.3	-63.8	0	0	0	0	111.2	P333 Y436 G438 E439 D440 G444 I445 W446	P333-S442 WeakPolarHBondContact CB-OG 2.93Å; P333-S442 VanDerWaalsContact CG-OG 3.24Å; P333-S442 WeakPolarHBondContact CG-OG 3.29Å; Y436-S442 PolarHBondContact N-OG 3.21Å; G438-S442 VanDerWaalsContact O-CB 3.26Å; G438-S442 WeakPolarHBondContact O-CB 3.33Å; G438-S442 PolarHBondContact O-N 3.39Å; G438-S442 PolarHBondContact O-OG 2.97Å; E439-S442 PolarHBondContact O-N 3.02Å; D440-S442 PolarHBondContact O-N 3.27Å; S442-G444 PolarHBondContact O-N 3.01Å; S442-I445 PolarHBondContact O-N 2.88Å; S442-W446 PolarHBondContact O-N 2.96Å
443	M	97.9	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-44.9	174.6	-77.5	-66.1	-81.9	0	0	111.7	L336 Y340 W381 Y416 I418 L426 E439 D440 V441 I445 W446 M447	L336-M443 HydrophobicContact CD2-CG 4.02Å; L336-M443 HydrophobicContact CD2-SD 4.1Å; Y340-M443 HydrophobicContact CE2-CE 4.25Å; Y340-M443 HydrophobicContact CE2-SD 4.09Å; Y340-M443 WeakPolarHBondContact OH-CE 2.99Å; W381-M443 HydrophobicContact CH2-CB 4.22Å; W381-M443 HydrophobicContact CZ2-CB 4.17Å; Y416-M443 HydrophobicContact CE2-CE 3.81Å; Y416-M443 WeakPolarHBondContact OH-CE 3.45Å; I418-M443 HydrophobicContact CD1-CE 4.17Å; L426-M443 HydrophobicContact CD1-CE 3.84Å; L426-M443 HydrophobicContact CD1-SD 3.92Å; E439-M443 WeakPolarHBondContact O-CB 3.32Å; E439-M443 WeakPolarHBondContact O-CG 3.42Å; E439-M443 PolarHBondContact O-N 2.92Å; E439-M443 WeakPolarHBondContact OE1-CG 3.4Å; D440-M443 PolarHBondContact O-N 2.86Å; V441-M443 VanDerWaalsContact C-N 3.33Å; V441-M443 PolarHBondContact O-N 2.92Å; M443-I445 VanDerWaalsContact C-N 3.31Å; M443-I445 PolarHBondContact O-N 3.05Å; M443-W446 HydrophobicContact CG-CE3 4.24Å; M443-W446 HydrophobicContact CG-CZ3 4.25Å; M443-W446 PolarHBondContact O-N 3.29Å; M443-W446 HydrophobicContact SD-CE3 3.55Å; M443-W446 VanDerWaalsContact SD-CE3 3.55Å; M443-W446 HydrophobicContact SD-CZ3 3.78Å; M443-M447 HydrophobicContact CE-CE 3.1Å; M443-M447 WeakPolarHBondContact O-CB 3.25Å; M443-M447 WeakPolarHBondContact O-CG 3.39Å; M443-M447 PolarHBondContact O-N 3.11Å; M443-M447 HydrophobicContact SD-CE 4.08Å
444	G	97.4	Very high	95.8	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-44.9	175.2	0	0	0	0	0	113.3	A409 D440 V441 S442 A448	A409-G444 WeakPolarHBondContact O-CA 3.46Å; D440-G444 PolarHBondContact O-N 2.97Å; V441-G444 PolarHBondContact O-N 2.84Å; S442-G444 PolarHBondContact O-N 3.01Å; G444-A448 PolarHBondContact O-N 3.36Å; G444-A448 VanDerWaalsContact O-N 3.09Å
445	I	97.3	Very high	95.9	Very high	24 Å²	24	35.3 Å²	35.3	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-44.4	179.1	-64.6	165.2	0	0	0	111.2	Y402 Y407 P408 Y436 V441 S442 M443 A448	Y402-I445 HydrophobicContact CD2-CD1 3.62Å; Y402-I445 HydrophobicContact CD2-CG1 4.3Å; Y402-I445 HydrophobicContact CE2-CD1 3.74Å; Y402-I445 HydrophobicContact CE2-CG1 3.9Å; Y402-I445 HydrophobicContact CE2-CG2 4.34Å; Y402-I445 HydrophobicContact CG-CD1 4.14Å; Y407-I445 HydrophobicContact CD1-CD1 4.18Å; Y407-I445 HydrophobicContact CE1-CD1 4.34Å; P408-I445 HydrophobicContact CG-CG1 4.35Å; Y436-I445 HydrophobicContact CD1-CD1 3.89Å; Y436-I445 HydrophobicContact CD2-CB 4.33Å; Y436-I445 HydrophobicContact CD2-CD1 3.47Å; Y436-I445 VanDerWaalsContact CD2-CD1 3.47Å; Y436-I445 HydrophobicContact CD2-CG1 4.49Å; Y436-I445 HydrophobicContact CD2-CG2 4.35Å; Y436-I445 HydrophobicContact CE1-CD1 4.04Å; Y436-I445 HydrophobicContact CE2-CB 4.08Å; Y436-I445 HydrophobicContact CE2-CD1 3.63Å; Y436-I445 HydrophobicContact CE2-CG1 4.45Å; Y436-I445 HydrophobicContact CE2-CG2 3.62Å; Y436-I445 HydrophobicContact CG-CD1 3.59Å; V441-I445 HydrophobicContact CG1-CD1 3.89Å; V441-I445 WeakPolarHBondContact O-CG1 3.44Å; V441-I445 PolarHBondContact O-N 3.39Å; S442-I445 PolarHBondContact O-N 2.88Å; M443-I445 VanDerWaalsContact C-N 3.31Å; M443-I445 PolarHBondContact O-N 3.05Å; I445-A448 WeakPolarHBondContact O-CB 3.48Å; I445-A448 PolarHBondContact O-N 2.98Å
446	W	97.8	Very high	96	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.027	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-40.2	177.6	-56.1	-23.3	0	0	0	111.8	P333 L337 L426 L433 K434 T435 S442 M443 A448 A449	P333-W446 HydrophobicContact CB-CH2 3.77Å; P333-W446 HydrophobicContact CB-CZ2 4.17Å; L337-W446 HydrophobicContact CD1-CH2 3.52Å; L337-W446 HydrophobicContact CD1-CZ2 3.66Å; L337-W446 HydrophobicContact CD1-CZ3 4.22Å; L337-W446 HydrophobicContact CD2-CE3 4.12Å; L337-W446 HydrophobicContact CD2-CH2 3.85Å; L337-W446 HydrophobicContact CD2-CZ2 4.47Å; L337-W446 HydrophobicContact CD2-CZ3 3.66Å; L337-W446 HydrophobicContact CG-CH2 3.46Å; L337-W446 VanDerWaalsContact CG-CH2 3.46Å; L337-W446 HydrophobicContact CG-CZ2 4.14Å; L337-W446 HydrophobicContact CG-CZ3 3.76Å; L426-W446 HydrophobicContact CD2-CB 3.92Å; L426-W446 HydrophobicContact CD2-CD2 4.38Å; L426-W446 HydrophobicContact CD2-CE3 3.9Å; L426-W446 HydrophobicContact CD2-CG 4.44Å; L433-W446 HydrophobicContact CB-CD2 4.44Å; L433-W446 HydrophobicContact CB-CG 4.5Å; L433-W446 HydrophobicContact CB-CZ2 4.41Å; L433-W446 HydrophobicContact CD1-CD2 4.13Å; L433-W446 HydrophobicContact CD1-CG 4.12Å; L433-W446 HydrophobicContact CD2-CB 4.4Å; L433-W446 HydrophobicContact CD2-CG 4.05Å; L433-W446 HydrophobicContact CG-CG 4.44Å; K434-W446 PolarHBondContact O-NE1 3.04Å; T435-W446 HydrophobicContact CG2-CZ2 4.33Å; S442-W446 PolarHBondContact O-N 2.96Å; M443-W446 HydrophobicContact CG-CE3 4.24Å; M443-W446 HydrophobicContact CG-CZ3 4.25Å; M443-W446 PolarHBondContact O-N 3.29Å; M443-W446 HydrophobicContact SD-CE3 3.55Å; M443-W446 VanDerWaalsContact SD-CE3 3.55Å; M443-W446 HydrophobicContact SD-CZ3 3.78Å; W446-A448 PolarHBondContact O-N 3.33Å; W446-A449 WeakPolarHBondContact O-CB 3.49Å; W446-A449 PolarHBondContact O-N 2.92Å; W446-A449 VanDerWaalsContact O-N 3.08Å
447	M	97.4	Very high	96.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-22.8	178.7	-66.6	-71.6	180	0	0	112.6	W381 I418 I422 L426 M443 A449 I450 G451 P452	W381-M447 HydrophobicContact CD2-CE 4.41Å; W381-M447 HydrophobicContact CD2-CG 4.25Å; W381-M447 HydrophobicContact CE3-CB 3.85Å; W381-M447 HydrophobicContact CE3-CG 3.58Å; W381-M447 HydrophobicContact CE3-SD 4.21Å; W381-M447 HydrophobicContact CH2-CB 4.36Å; W381-M447 HydrophobicContact CH2-CG 3.95Å; W381-M447 HydrophobicContact CZ3-CB 3.55Å; W381-M447 HydrophobicContact CZ3-CG 3.45Å; W381-M447 VanDerWaalsContact CZ3-CG 3.45Å; I418-M447 HydrophobicContact CG2-CE 4.13Å; I422-M447 HydrophobicContact CD1-SD 4.48Å; I422-M447 HydrophobicContact CG2-CE 3.46Å; I422-M447 VanDerWaalsContact CG2-CE 3.46Å; I422-M447 HydrophobicContact CG2-SD 3.76Å; L426-M447 HydrophobicContact CD1-CE 3.84Å; M443-M447 HydrophobicContact CE-CE 3.1Å; M443-M447 WeakPolarHBondContact O-CB 3.25Å; M443-M447 WeakPolarHBondContact O-CG 3.39Å; M443-M447 PolarHBondContact O-N 3.11Å; M443-M447 HydrophobicContact SD-CE 4.08Å; M447-A449 PolarHBondContact O-N 3.22Å; M447-I450 PolarHBondContact O-N 3.24Å; M447-I450 HydrophobicContact SD-CD1 3.92Å; M447-G451 PolarHBondContact O-N 3.29Å; M447-P452 HydrophobicContact CB-CG 4.2Å; M447-P452 HydrophobicContact CG-CG 4.48Å; M447-P452 VanDerWaalsContact O-CD 3.27Å; M447-P452 WeakPolarHBondContact O-CD 3.16Å; M447-P452 HydrophobicContact SD-CG 3.88Å
448	A	95.8	Very high	96.4	Very high	66 Å²	66	39.3 Å²	39.3	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-28.1	171.5	0	0	0	0	0	112.4	P408 G444 I445 W446	P408-A448 HydrophobicContact CB-CB 4.06Å; P408-A448 HydrophobicContact CG-CB 4.08Å; G444-A448 PolarHBondContact O-N 3.36Å; G444-A448 VanDerWaalsContact O-N 3.09Å; I445-A448 WeakPolarHBondContact O-CB 3.48Å; I445-A448 PolarHBondContact O-N 2.98Å; W446-A448 PolarHBondContact O-N 3.33Å
449	A	94.1	Very high	96.6	Very high	78 Å²	78	40.6 Å²	40.6	65%	0.645	23%	0.232	S	C	*	.	H	α-helix	trans	-78.4	-30.9	174.4	0	0	0	0	0	113	W425 W446 M447	W425-A449 HydrophobicContact CH2-CB 4.18Å; W446-A449 WeakPolarHBondContact O-CB 3.49Å; W446-A449 PolarHBondContact O-N 2.92Å; W446-A449 VanDerWaalsContact O-N 3.08Å; M447-A449 PolarHBondContact O-N 3.22Å
450	I	94.3	Very high	96.7	Very high	38 Å²	38	40.1 Å²	40.1	20%	0.195	23%	0.23	C	C	.	.	H	α-helix	trans	-84.3	-39	-178.6	-54.4	174.6	0	0	0	111.2	I422 W425 L426 M447	I422-I450 HydrophobicContact CG2-CD1 4.2Å; W425-I450 HydrophobicContact CD2-CD1 3.82Å; W425-I450 HydrophobicContact CD2-CG1 3.81Å; W425-I450 HydrophobicContact CE3-CD1 3.36Å; W425-I450 HydrophobicContact CE3-CG1 3.65Å; W425-I450 HydrophobicContact CG-CD1 4.33Å; W425-I450 HydrophobicContact CG-CG1 4.43Å; W425-I450 HydrophobicContact CH2-CG1 4.11Å; W425-I450 HydrophobicContact CZ2-CG1 4.26Å; W425-I450 HydrophobicContact CZ3-CD1 3.79Å; W425-I450 HydrophobicContact CZ3-CG1 3.8Å; L426-I450 HydrophobicContact CD2-CD1 4.35Å; L426-I450 HydrophobicContact CG-CD1 4.42Å; M447-I450 PolarHBondContact O-N 3.24Å; M447-I450 HydrophobicContact SD-CD1 3.92Å
451	G	95.9	Very high	96.8	Very high	53 Å²	53	39.1 Å²	39.1	55%	0.546	23%	0.225	S	C	.	.			trans	63.6	54.8	-175.2	0	0	0	0	0	114	M447	M447-G451 PolarHBondContact O-N 3.29Å
452	P	96.9	Very high	96.7	Very high	15 Å²	15	40.1 Å²	40.1	10%	0.097	23%	0.232	C	C	.	.			trans	-71.2	156.8	-178.5	33.1	-37.7	0	0	0	112.5	N379 W381 I422 M447 R454	N379-P452 VanDerWaalsContact OD1-CA 3.32Å; N379-P452 WeakPolarHBondContact OD1-CA 3.44Å; N379-P452 WeakPolarHBondContact OD1-CB 3.33Å; W381-P452 HydrophobicContact CB-CB 4.27Å; W381-P452 HydrophobicContact CB-CG 4.11Å; W381-P452 HydrophobicContact CE3-CG 4.22Å; I422-P452 HydrophobicContact CD1-CB 3.63Å; I422-P452 HydrophobicContact CD1-CG 4.43Å; M447-P452 HydrophobicContact CB-CG 4.2Å; M447-P452 HydrophobicContact CG-CG 4.48Å; M447-P452 VanDerWaalsContact O-CD 3.27Å; M447-P452 WeakPolarHBondContact O-CD 3.16Å; M447-P452 HydrophobicContact SD-CG 3.88Å; P452-R454 PolarHBondContact O-N 3.23Å
453	K	97	Very high	96.7	Very high	126 Å²	126	44.5 Å²	44.5	55%	0.548	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	107	167.8	-173.4	176.9	176.2	-167.7	0	108.8	N379 F380 W381 Y455	N379-K453 PolarHBondContact O-N 2.9Å; F380-K453 WeakPolarHBondContact CA-O 3.46Å; W381-K453 PolarHBondContact N-O 2.9Å; K453-Y455 HydrophobicContact CB-CE2 4.25Å; K453-Y455 HydrophobicContact CD-CE2 3.8Å; K453-Y455 WeakPolarHBondContact CD-OH 3.4Å; K453-Y455 VanDerWaalsContact CE-CZ 3.49Å; K453-Y455 VanDerWaalsContact CE-OH 3.29Å; K453-Y455 WeakPolarHBondContact CE-OH 3.41Å; K453-Y455 HydrophobicContact CG-CD2 4.39Å; K453-Y455 HydrophobicContact CG-CE2 3.82Å; K453-Y455 PolarHBondContact NZ-OH 2.85Å; K453-Y455 WeakPolarHBondContact O-CD2 2.97Å
454	R	96.8	Very high	96.6	Very high	128 Å²	128	48.3 Å²	48.3	48%	0.483	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.7	176.2	-69.3	177.9	-72.5	146.2	-4	110.5	W381 F385 P452	W381-R454 HydrophobicContact CE3-CG 4.38Å; W381-R454 CarbonylContact O-C 3.45Å; W381-R454 VanDerWaalsContact O-CA 3.32Å; W381-R454 WeakPolarHBondContact O-CA 3.46Å; F385-R454 HydrophobicContact CD1-CG 4.45Å; F385-R454 HydrophobicContact CD2-CB 4.37Å; F385-R454 HydrophobicContact CE1-CG 3.98Å; F385-R454 HydrophobicContact CE2-CB 3.94Å; F385-R454 HydrophobicContact CE2-CG 4.26Å; F385-R454 HydrophobicContact CZ-CB 4.05Å; F385-R454 HydrophobicContact CZ-CG 3.88Å; P452-R454 PolarHBondContact O-N 3.23Å
455	Y	97.1	Very high	96.5	Very high	57 Å²	57	51 Å²	51	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.7	170.5	-70.7	-93.1	0	0	0	108.2	L375 F380 W381 W382 G383 F385 K453	L375-Y455 HydrophobicContact CD2-CD1 3.74Å; L375-Y455 HydrophobicContact CD2-CD2 3.69Å; L375-Y455 HydrophobicContact CD2-CE1 3.63Å; L375-Y455 HydrophobicContact CD2-CE2 3.57Å; L375-Y455 HydrophobicContact CD2-CG 3.75Å; F380-Y455 HydrophobicContact CB-CD2 3.87Å; F380-Y455 HydrophobicContact CB-CE2 3.57Å; F380-Y455 HydrophobicContact CD2-CD2 4.31Å; F380-Y455 HydrophobicContact CG-CD2 4.4Å; F380-Y455 HydrophobicContact CG-CE2 4.22Å; W381-Y455 PolarHBondContact O-N 2.74Å; W382-Y455 VanDerWaalsContact CD1-O 3.28Å; G383-Y455 PolarHBondContact N-O 2.79Å; G383-Y455 VanDerWaalsContact N-O 3.15Å; F385-Y455 WeakPolarHBondContact CE2-O 3.46Å; K453-Y455 HydrophobicContact CB-CE2 4.25Å; K453-Y455 HydrophobicContact CD-CE2 3.8Å; K453-Y455 WeakPolarHBondContact CD-OH 3.4Å; K453-Y455 VanDerWaalsContact CE-CZ 3.49Å; K453-Y455 VanDerWaalsContact CE-OH 3.29Å; K453-Y455 WeakPolarHBondContact CE-OH 3.41Å; K453-Y455 HydrophobicContact CG-CD2 4.39Å; K453-Y455 HydrophobicContact CG-CE2 3.82Å; K453-Y455 PolarHBondContact NZ-OH 2.85Å; K453-Y455 WeakPolarHBondContact O-CD2 2.97Å
456	Q	96.9	Very high	96.4	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.8	176.3	178.8	63.7	33.5	0	0	110.1	G383 N384	G383-Q456 CarbonylContact O-C 3.55Å; G383-Q456 WeakPolarHBondContact O-CA 3.33Å; N384-Q456 PolarHBondContact OD1-NE2 3.41Å
457	D	96.8	Very high	96.2	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.053	32%	0.315	C	S	.	.			trans	-145	112.3	173.5	-167.3	-27.4	0	0	0	109.8	R369 K373 W382 G383 N384 L459 W460	R369-D457 IonicContact CZ-OD2 3.57Å; R369-D457 IonicContact NH1-OD1 3.69Å; R369-D457 IonicContact NH1-OD2 3.88Å; R369-D457 PolarHBondContact NH1-OD2 2.91Å; K373-D457 WeakPolarHBondContact CE-OD2 3.33Å; K373-D457 IonicContact NZ-OD2 2.83Å; W382-D457 PolarHBondContact NE1-OD2 2.8Å; G383-D457 PolarHBondContact O-N 3.31Å; N384-D457 WeakPolarHBondContact CB-O 3.41Å; D457-L459 PolarHBondContact O-N 3.21Å; D457-L459 PolarHBondContact OD1-N 2.74Å; D457-W460 PolarHBondContact O-N 3.1Å
458	S	96.5	Very high	96	Very high	75 Å²	75	60.3 Å²	60.3	52%	0.524	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.8	-173.1	58.1	0	0	0	0	114	W460 L461	S458-W460 PolarHBondContact O-N 3.46Å; S458-L461 WeakPolarHBondContact O-CD2 3.42Å
459	L	96.8	Very high	95.8	Very high	26 Å²	26	58.9 Å²	58.9	14%	0.136	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.9	178.2	-65.9	167.6	0	0	0	113.2	D457 L461 L471 S472	D457-L459 PolarHBondContact O-N 3.21Å; D457-L459 PolarHBondContact OD1-N 2.74Å; L459-L461 PolarHBondContact O-N 3.48Å; L459-L471 HydrophobicContact CB-CD1 4.16Å; L459-L471 HydrophobicContact CB-CG 3.89Å; L459-L471 PolarHBondContact O-N 2.93Å; L459-S472 PolarHBondContact O-N 3.32Å
460	W	97.8	Very high	95.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-79.6	95.2	155.9	-59.2	87.2	0	0	0	107.2	L353 I361 V366 W382 N384 G415 V417 D457 S458 C462 L471 S472	L353-W460 HydrophobicContact CD1-CH2 3.85Å; L353-W460 HydrophobicContact CG-CH2 4.2Å; I361-W460 HydrophobicContact CD1-CH2 4.28Å; I361-W460 HydrophobicContact CD1-CZ3 3.83Å; V366-W460 HydrophobicContact CG1-CZ2 4.47Å; V366-W460 HydrophobicContact CG2-CH2 3.99Å; V366-W460 HydrophobicContact CG2-CZ2 4.08Å; W382-W460 HydrophobicContact CD2-CZ2 4.41Å; W382-W460 AromaticContact CD2-NE1 3.94Å; W382-W460 AromaticContact CE2-NE1 3.44Å; W382-W460 HydrophobicContact CE3-CZ2 4.14Å; W382-W460 HydrophobicContact CH2-CZ2 4.04Å; W382-W460 HydrophobicContact CZ2-CZ2 4.34Å; W382-W460 AromaticContact CZ2-NE1 3.57Å; W382-W460 AromaticContact CZ3-CZ2 3.93Å; W382-W460 HydrophobicContact CZ3-CZ2 3.93Å; W382-W460 AromaticContact NE1-NE1 3.63Å; N384-W460 HydrophobicContact CB-CB 3.86Å; N384-W460 WeakPolarHBondContact CB-O 3.47Å; N384-W460 PolarHBondContact ND2-O 3.36Å; G415-W460 VanDerWaalsContact C-CZ3 3.5Å; V417-W460 HydrophobicContact CG2-CH2 3.97Å; V417-W460 HydrophobicContact CG2-CZ2 3.94Å; D457-W460 PolarHBondContact O-N 3.1Å; S458-W460 PolarHBondContact O-N 3.46Å; W460-C462 PolarHBondContact O-N 3.39Å; W460-L471 HydrophobicContact CD2-CB 4.3Å; W460-L471 HydrophobicContact CD2-CD1 4.42Å; W460-L471 HydrophobicContact CG-CD1 4.4Å; W460-L471 HydrophobicContact CZ2-CD1 4.3Å; W460-S472 WeakPolarHBondContact CA-OG 3.21Å; W460-S472 VanDerWaalsContact CE3-OG 3.26Å
461	L	97.7	Very high	96.1	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	29%	0.291	C	S	.	.			trans	-72.6	135.1	-172.5	-55	-175.9	0	0	0	109.7	S414 S458 L459 T465 E467 M470 S472 P474	S414-L461 WeakPolarHBondContact CB-O 3.33Å; S414-L461 PolarHBondContact OG-O 2.83Å; S458-L461 WeakPolarHBondContact O-CD2 3.42Å; L459-L461 PolarHBondContact O-N 3.48Å; L461-T465 VanDerWaalsContact CD1-O 3.25Å; L461-T465 WeakPolarHBondContact CD1-O 3.47Å; L461-T465 WeakPolarHBondContact CD1-OG1 3.49Å; L461-E467 HydrophobicContact CD1-CB 4.06Å; L461-E467 HydrophobicContact CD1-CG 3.96Å; L461-E467 HydrophobicContact CD2-CB 4.4Å; L461-E467 HydrophobicContact CD2-CG 4.16Å; L461-M470 HydrophobicContact CD1-CB 3.8Å; L461-M470 HydrophobicContact CD1-CG 4.39Å; L461-M470 HydrophobicContact CD1-SD 3.64Å; L461-M470 HydrophobicContact CG-CB 4.06Å; L461-S472 VanDerWaalsContact CB-O 3.3Å; L461-S472 WeakPolarHBondContact CB-O 3.26Å; L461-S472 WeakPolarHBondContact CG-O 3.41Å; L461-S472 PolarHBondContact N-O 3.08Å; L461-P474 WeakPolarHBondContact O-CD 3.47Å
462	C	95.8	Very high	96.1	Very high	25 Å²	25	50.9 Å²	50.9	17%	0.169	27%	0.265	C	S	.	.	S	Bend	trans	-87.9	-16.9	-178.2	-64	0	0	0	0	113.4	N384 R386 C412 W460	N384-C462 PolarHBondContact ND2-SG 2.92Å; R386-C462 PolarHBondContact NH2-O 2.86Å; C412-C462 HydrophobicContact CB-CB 3.71Å; C412-C462 WeakPolarHBondContact CB-SG 3.47Å; C412-C462 WeakPolarHBondContact SG-CB 3.43Å; C412-C462 CovalentContact SG-SG 2.02Å; C412-C462 PolarHBondContact SG-SG 2.82Å; W460-C462 PolarHBondContact O-N 3.39Å
463	E	95.7	Very high	96.2	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	26%	0.261	S	S	.	.	S	Bend	trans	-130.6	157.7	-175.6	-57.3	-59.3	160.2	0	0	109.2	R386 T465	R386-E463 IonicContact CZ-OE1 2.62Å; R386-E463 IonicContact NH1-OE1 3.59Å; R386-E463 IonicContact NH2-OE1 3.56Å; R386-E463 PolarHBondContact NH2-OE1 3.03Å; E463-T465 VanDerWaalsContact C-N 3.29Å; E463-T465 HydrophobicContact CB-CG2 4.48Å; E463-T465 PolarHBondContact O-N 3.12Å; E463-T465 PolarHBondContact O-OG1 3.19Å
464	K	96.1	Very high	96.2	Very high	80 Å²	80	44.6 Å²	44.6	35%	0.348	24%	0.237	S	C	.	.	S	Bend	trans	-64.3	87.1	177.1	-170.2	-179	-174.4	162.8	0	111.5	Q475 Y476 E480	K464-Q475 HydrophobicContact CB-CB 4.21Å; K464-Q475 HydrophobicContact CD-CB 4.28Å; K464-Q475 VanDerWaalsContact CD-O 3.29Å; K464-Q475 WeakPolarHBondContact CD-O 2.98Å; K464-Q475 VanDerWaalsContact CE-O 3.22Å; K464-Q475 WeakPolarHBondContact CE-O 3.3Å; K464-Q475 HydrophobicContact CG-CB 4.49Å; K464-Q475 PolarHBondContact NZ-O 3.29Å; K464-Y476 HydrophobicContact CD-CE1 4.47Å; K464-Y476 VanDerWaalsContact CE-CD1 3.48Å; K464-Y476 HydrophobicContact CG-CD1 4.37Å; K464-Y476 HydrophobicContact CG-CE1 3.95Å; K464-E480 VanDerWaalsContact CE-OE1 3.27Å; K464-E480 WeakPolarHBondContact CE-OE1 3.13Å; K464-E480 IonicContact NZ-OE1 3.88Å; K464-E480 PolarHBondContact NZ-OE1 3.47Å; K464-E480 IonicContact NZ-OE2 2.69Å; K464-E480 PolarHBondContact NZ-OE2 3.37Å
465	T	95.4	Very high	96.1	Very high	59 Å²	59	43.4 Å²	43.4	36%	0.362	24%	0.237	S	C	.	.			trans	-139.8	153.9	-177.7	47.4	0	0	0	0	108.7	L461 E463 S473 Y476	L461-T465 VanDerWaalsContact CD1-O 3.25Å; L461-T465 WeakPolarHBondContact CD1-O 3.47Å; L461-T465 WeakPolarHBondContact CD1-OG1 3.49Å; E463-T465 VanDerWaalsContact C-N 3.29Å; E463-T465 HydrophobicContact CB-CG2 4.48Å; E463-T465 PolarHBondContact O-N 3.12Å; E463-T465 PolarHBondContact O-OG1 3.19Å; T465-S473 PolarHBondContact N-OG 3.25Å; T465-S473 WeakPolarHBondContact O-CB 3.32Å; T465-S473 PolarHBondContact O-OG 3.23Å; T465-Y476 PolarHBondContact O-OH 3.37Å; T465-Y476 VanDerWaalsContact O-OH 3.05Å
466	C	94.9	Very high	96.1	Very high	52 Å²	52	41.5 Å²	41.5	35%	0.351	23%	0.23	S	C	.	.			trans	-117.4	112.5	176	-159	0	0	0	0	109	M470 C495	C466-M470 HydrophobicContact CB-CE 4.49Å; C466-M470 VanDerWaalsContact SG-CE 3.5Å; C466-C495 WeakPolarHBondContact CA-SG 3.5Å; C466-C495 HydrophobicContact CB-CB 3.84Å; C466-C495 WeakPolarHBondContact CB-SG 3.46Å; C466-C495 WeakPolarHBondContact SG-CA 3.33Å; C466-C495 WeakPolarHBondContact SG-CB 3.21Å; C466-C495 CovalentContact SG-SG 2.03Å; C466-C495 PolarHBondContact SG-SG 2.83Å
467	E	94.8	Very high	96.2	Very high	93 Å²	93	38.9 Å²	38.9	44%	0.435	22%	0.223	S	C	.	.			trans	-119.5	139.6	178.4	-62.1	-173.5	-171.7	0	0	110.9	L461 G469 M470 C495	L461-E467 HydrophobicContact CD1-CB 4.06Å; L461-E467 HydrophobicContact CD1-CG 3.96Å; L461-E467 HydrophobicContact CD2-CB 4.4Å; L461-E467 HydrophobicContact CD2-CG 4.16Å; E467-G469 PolarHBondContact O-N 3.47Å; E467-M470 HydrophobicContact CB-CB 4.48Å; E467-M470 VanDerWaalsContact O-CB 3.27Å; E467-M470 WeakPolarHBondContact O-CB 3.43Å; E467-M470 VanDerWaalsContact O-CG 3.25Å; E467-M470 WeakPolarHBondContact O-CG 3.44Å; E467-M470 PolarHBondContact O-N 3.18Å; E467-C495 PolarHBondContact N-SG 3.09Å
468	T	92.8	Very high	96.3	Very high	87 Å²	87	40 Å²	40	53%	0.534	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	124.9	176.2	-70.5	0	0	0	0	110.4	D493	T468-D493 VanDerWaalsContact CA-OD2 3.24Å; T468-D493 WeakPolarHBondContact CA-OD2 3.35Å; T468-D493 WeakPolarHBondContact CB-OD2 3.41Å; T468-D493 WeakPolarHBondContact CG2-OD2 3.3Å; T468-D493 PolarHBondContact OG1-OD2 3.3Å
469	G	92.6	Very high	96.3	Very high	36 Å²	36	44.8 Å²	44.8	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	12.3	-177.9	0	0	0	0	0	115	E467	E467-G469 PolarHBondContact O-N 3.47Å
470	M	95.8	Very high	96.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.			trans	-56.1	140.6	172.9	67.2	-179.5	-179	0	0	111.7	Y360 L461 C466 E467 S473 P494	Y360-M470 HydrophobicContact CD1-CE 3.53Å; Y360-M470 HydrophobicContact CD1-CG 4.21Å; Y360-M470 HydrophobicContact CD1-SD 4.33Å; Y360-M470 HydrophobicContact CD2-CE 4.39Å; Y360-M470 HydrophobicContact CE1-CE 3.83Å; Y360-M470 HydrophobicContact CE1-CG 4.09Å; Y360-M470 HydrophobicContact CG-CE 3.85Å; L461-M470 HydrophobicContact CD1-CB 3.8Å; L461-M470 HydrophobicContact CD1-CG 4.39Å; L461-M470 HydrophobicContact CD1-SD 3.64Å; L461-M470 HydrophobicContact CG-CB 4.06Å; C466-M470 HydrophobicContact CB-CE 4.49Å; C466-M470 VanDerWaalsContact SG-CE 3.5Å; E467-M470 HydrophobicContact CB-CB 4.48Å; E467-M470 VanDerWaalsContact O-CB 3.27Å; E467-M470 WeakPolarHBondContact O-CB 3.43Å; E467-M470 VanDerWaalsContact O-CG 3.25Å; E467-M470 WeakPolarHBondContact O-CG 3.44Å; E467-M470 PolarHBondContact O-N 3.18Å; M470-S473 VanDerWaalsContact SD-CB 3.58Å; M470-P494 HydrophobicContact CE-CB 3.96Å; M470-P494 HydrophobicContact CE-CG 3.58Å; M470-P494 HydrophobicContact CG-CG 4.34Å
471	L	97.3	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-87.7	-42.5	175.6	-59.1	174.3	0	0	0	110.7	I361 D362 A365 V366 W382 L459 W460	I361-L471 CarbonylContact C-O 3.57Å; I361-L471 WeakPolarHBondContact CA-O 3.31Å; D362-L471 PolarHBondContact N-O 2.89Å; A365-L471 HydrophobicContact CB-CD2 3.6Å; V366-L471 HydrophobicContact CG2-CB 4.1Å; V366-L471 HydrophobicContact CG2-CD2 4.1Å; W382-L471 HydrophobicContact CH2-CD1 3.97Å; W382-L471 HydrophobicContact CZ2-CD1 3.6Å; L459-L471 HydrophobicContact CB-CD1 4.16Å; L459-L471 HydrophobicContact CB-CG 3.89Å; L459-L471 PolarHBondContact O-N 2.93Å; W460-L471 HydrophobicContact CD2-CB 4.3Å; W460-L471 HydrophobicContact CD2-CD1 4.42Å; W460-L471 HydrophobicContact CG-CD1 4.4Å; W460-L471 HydrophobicContact CZ2-CD1 4.3Å
472	S	97.4	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.5	175.3	70.4	0	0	0	0	111.4	Y360 S414 L459 W460 L461	Y360-S472 WeakPolarHBondContact O-CA 3.36Å; S414-S472 WeakPolarHBondContact O-CB 3.2Å; S414-S472 PolarHBondContact OG-OG 2.03Å; L459-S472 PolarHBondContact O-N 3.32Å; W460-S472 WeakPolarHBondContact CA-OG 3.21Å; W460-S472 VanDerWaalsContact CE3-OG 3.26Å; L461-S472 VanDerWaalsContact CB-O 3.3Å; L461-S472 WeakPolarHBondContact CB-O 3.26Å; L461-S472 WeakPolarHBondContact CG-O 3.41Å; L461-S472 PolarHBondContact N-O 3.08Å
473	S	97.6	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	130.8	168.8	-176.7	0	0	0	0	110.7	C359 Y360 T465 M470 Y476	C359-S473 CarbonylContact C-O 3.55Å; C359-S473 WeakPolarHBondContact CA-O 3.5Å; Y360-S473 PolarHBondContact N-O 2.9Å; Y360-S473 PolarHBondContact O-N 3.29Å; Y360-S473 VanDerWaalsContact O-N 3.09Å; T465-S473 PolarHBondContact N-OG 3.25Å; T465-S473 WeakPolarHBondContact O-CB 3.32Å; T465-S473 PolarHBondContact O-OG 3.23Å; M470-S473 VanDerWaalsContact SD-CB 3.58Å; S473-Y476 WeakPolarHBondContact O-CD2 3.43Å; S473-Y476 WeakPolarHBondContact O-CE2 3.45Å; S473-Y476 WeakPolarHBondContact OG-CE2 3.42Å; S473-Y476 PolarHBondContact OG-OH 3.24Å
474	P	97.1	Very high	96.4	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.058	24%	0.239	C	C	.	.			trans	-95.1	176.5	-168.1	38.9	-37.2	0	0	0	114.2	L461	L461-P474 WeakPolarHBondContact O-CD 3.47Å
475	Q	95.6	Very high	96.4	Very high	102 Å²	102	41.8 Å²	41.8	48%	0.477	22%	0.224	S	C	.	.			trans	67.3	34	167.6	-51.8	170.2	6	0	0	115.2	D358 K464	D358-Q475 PolarHBondContact O-N 2.81Å; D358-Q475 VanDerWaalsContact O-N 3.14Å; D358-Q475 WeakPolarHBondContact OD2-CA 3.22Å; K464-Q475 HydrophobicContact CB-CB 4.21Å; K464-Q475 HydrophobicContact CD-CB 4.28Å; K464-Q475 VanDerWaalsContact CD-O 3.29Å; K464-Q475 WeakPolarHBondContact CD-O 2.98Å; K464-Q475 VanDerWaalsContact CE-O 3.22Å; K464-Q475 WeakPolarHBondContact CE-O 3.3Å; K464-Q475 HydrophobicContact CG-CB 4.49Å; K464-Q475 PolarHBondContact NZ-O 3.29Å
476	Y	97.4	Very high	96.4	Very high	18 Å²	18	43.8 Å²	43.8	7%	0.071	23%	0.227	C	C	.	.			trans	-93.9	140.2	174.8	-68.8	-72.8	0	0	0	112.3	D358 K464 T465 S473 E480 L481 L484	D358-Y476 PolarHBondContact O-N 2.94Å; K464-Y476 HydrophobicContact CD-CE1 4.47Å; K464-Y476 VanDerWaalsContact CE-CD1 3.48Å; K464-Y476 HydrophobicContact CG-CD1 4.37Å; K464-Y476 HydrophobicContact CG-CE1 3.95Å; T465-Y476 PolarHBondContact O-OH 3.37Å; T465-Y476 VanDerWaalsContact O-OH 3.05Å; S473-Y476 WeakPolarHBondContact O-CD2 3.43Å; S473-Y476 WeakPolarHBondContact O-CE2 3.45Å; S473-Y476 WeakPolarHBondContact OG-CE2 3.42Å; S473-Y476 PolarHBondContact OG-OH 3.24Å; Y476-E480 HydrophobicContact CD1-CB 3.63Å; Y476-E480 HydrophobicContact CD1-CG 4.38Å; Y476-E480 HydrophobicContact CG-CB 4.29Å; Y476-L481 HydrophobicContact CD2-CD2 4.02Å; Y476-L481 HydrophobicContact CG-CD2 4.08Å; Y476-L484 HydrophobicContact CD1-CD1 3.93Å; Y476-L484 HydrophobicContact CD2-CD1 3.95Å; Y476-L484 HydrophobicContact CE1-CD1 3.68Å; Y476-L484 HydrophobicContact CE2-CD1 3.69Å; Y476-L484 HydrophobicContact CG-CD1 4.05Å
477	S	98.1	Very high	96.4	Very high	46 Å²	46	43.1 Å²	43.1	32%	0.322	22%	0.22	S	C	.	.			trans	-68.7	162.7	166.4	63.7	0	0	0	0	111.4	W479 E480 L481	S477-W479 PolarHBondContact O-N 3.28Å; S477-E480 WeakPolarHBondContact CB-OE2 3.39Å; S477-E480 PolarHBondContact N-OE2 2.86Å; S477-E480 PolarHBondContact O-N 3.37Å; S477-E480 VanDerWaalsContact O-N 3.14Å; S477-E480 VanDerWaalsContact OG-CG 3.25Å; S477-E480 WeakPolarHBondContact OG-CG 3.41Å; S477-E480 PolarHBondContact OG-N 3.34Å; S477-E480 PolarHBondContact OG-OE2 2.94Å; S477-L481 PolarHBondContact O-N 3.47Å
478	P	98.2	Very high	96.4	Very high	33 Å²	33	40.7 Å²	40.7	21%	0.214	21%	0.208	C	C	.	.	H	α-helix	trans	-51.4	-40.8	174.7	-27.7	34.2	0	0	0	113.5	E65 L66 V69 T482	E65-P478 HydrophobicContact CB-CB 4.44Å; E65-P478 HydrophobicContact CB-CG 3.99Å; L66-P478 HydrophobicContact CD2-CB 4.46Å; L66-P478 HydrophobicContact CD2-CG 3.76Å; L66-P478 HydrophobicContact CG-CG 4.03Å; V69-P478 HydrophobicContact CG2-CB 3.71Å; P478-T482 WeakPolarHBondContact O-CB 3.45Å; P478-T482 PolarHBondContact O-N 3.26Å; P478-T482 PolarHBondContact O-OG1 3.37Å
479	W	97.9	Very high	96.4	Very high	176 Å²	176	40.8 Å²	40.8	67%	0.667	20%	0.202	S	C	*	.	H	α-helix	trans	-67.6	-46.1	178.8	176.4	79.9	0	0	0	112.1	S477 L481 T482 E483	S477-W479 PolarHBondContact O-N 3.28Å; W479-L481 PolarHBondContact O-N 3.35Å; W479-T482 WeakPolarHBondContact O-CB 3.39Å; W479-T482 PolarHBondContact O-N 2.86Å; W479-E483 HydrophobicContact CD2-CG 4.17Å; W479-E483 HydrophobicContact CH2-CG 4.22Å; W479-E483 HydrophobicContact CZ2-CG 3.68Å; W479-E483 PolarHBondContact O-N 3.38Å
480	E	97.6	Very high	96.4	Very high	52 Å²	52	47.5 Å²	47.5	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-42.9	-179.6	-67.6	165.8	125.1	0	0	111.9	K464 Y476 S477 T482 E483 L484	K464-E480 VanDerWaalsContact CE-OE1 3.27Å; K464-E480 WeakPolarHBondContact CE-OE1 3.13Å; K464-E480 IonicContact NZ-OE1 3.88Å; K464-E480 PolarHBondContact NZ-OE1 3.47Å; K464-E480 IonicContact NZ-OE2 2.69Å; K464-E480 PolarHBondContact NZ-OE2 3.37Å; Y476-E480 HydrophobicContact CD1-CB 3.63Å; Y476-E480 HydrophobicContact CD1-CG 4.38Å; Y476-E480 HydrophobicContact CG-CB 4.29Å; S477-E480 WeakPolarHBondContact CB-OE2 3.39Å; S477-E480 PolarHBondContact N-OE2 2.86Å; S477-E480 PolarHBondContact O-N 3.37Å; S477-E480 VanDerWaalsContact O-N 3.14Å; S477-E480 VanDerWaalsContact OG-CG 3.25Å; S477-E480 WeakPolarHBondContact OG-CG 3.41Å; S477-E480 PolarHBondContact OG-N 3.34Å; S477-E480 PolarHBondContact OG-OE2 2.94Å; E480-T482 VanDerWaalsContact C-N 3.26Å; E480-T482 PolarHBondContact O-N 3.45Å; E480-E483 PolarHBondContact O-N 3.25Å; E480-E483 VanDerWaalsContact O-N 3.15Å; E480-L484 WeakPolarHBondContact O-CG 3.39Å; E480-L484 PolarHBondContact O-N 3.16Å
481	L	97.3	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-41.9	174.6	-75.8	179.9	0	0	0	111.7	L66 V69 Y476 S477 W479 W485	L66-L481 HydrophobicContact CD2-CD1 3.96Å; V69-L481 HydrophobicContact CG1-CB 3.63Å; V69-L481 HydrophobicContact CG1-CD1 4.3Å; Y476-L481 HydrophobicContact CD2-CD2 4.02Å; Y476-L481 HydrophobicContact CG-CD2 4.08Å; S477-L481 PolarHBondContact O-N 3.47Å; W479-L481 PolarHBondContact O-N 3.35Å; L481-W485 PolarHBondContact O-N 3.24Å; L481-W485 VanDerWaalsContact O-N 3.14Å
482	T	97.1	Very high	96	Very high	32 Å²	32	52 Å²	52	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-44.9	176.7	-61	0	0	0	0	111.2	V69 P478 W479 E480 W485 K486	V69-T482 WeakPolarHBondContact CG1-OG1 3.16Å; P478-T482 WeakPolarHBondContact O-CB 3.45Å; P478-T482 PolarHBondContact O-N 3.26Å; P478-T482 PolarHBondContact O-OG1 3.37Å; W479-T482 WeakPolarHBondContact O-CB 3.39Å; W479-T482 PolarHBondContact O-N 2.86Å; E480-T482 VanDerWaalsContact C-N 3.26Å; E480-T482 PolarHBondContact O-N 3.45Å; T482-W485 PolarHBondContact O-N 3.02Å; T482-K486 HydrophobicContact CG2-CD 4.21Å; T482-K486 VanDerWaalsContact O-CG 3.32Å; T482-K486 WeakPolarHBondContact O-CG 3.42Å; T482-K486 PolarHBondContact O-N 2.9Å
483	E	96.7	Very high	95.8	Very high	61 Å²	61	53 Å²	53	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-41.2	-179.9	-68.9	-54.6	121.1	0	0	112.8	W479 E480 W485 K486 L487	W479-E483 HydrophobicContact CD2-CG 4.17Å; W479-E483 HydrophobicContact CH2-CG 4.22Å; W479-E483 HydrophobicContact CZ2-CG 3.68Å; W479-E483 PolarHBondContact O-N 3.38Å; E480-E483 PolarHBondContact O-N 3.25Å; E480-E483 VanDerWaalsContact O-N 3.15Å; E483-W485 VanDerWaalsContact C-N 3.29Å; E483-W485 PolarHBondContact O-N 2.97Å; E483-K486 PolarHBondContact O-N 2.95Å; E483-K486 WeakPolarHBondContact OE1-CD 3.1Å; E483-K486 IonicContact OE1-NZ 2.85Å; E483-K486 PolarHBondContact OE1-NZ 3.1Å; E483-L487 WeakPolarHBondContact O-CG 3.29Å; E483-L487 PolarHBondContact O-N 3.23Å
484	L	96.7	Very high	95.7	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-43	174.2	-70.1	174.5	0	0	0	111.6	Y360 Y476 E480 L487 K488 P494	Y360-L484 HydrophobicContact CD2-CB 3.86Å; Y360-L484 HydrophobicContact CD2-CD1 4.12Å; Y360-L484 HydrophobicContact CE2-CB 4.23Å; Y360-L484 HydrophobicContact CG-CD1 4.33Å; Y476-L484 HydrophobicContact CD1-CD1 3.93Å; Y476-L484 HydrophobicContact CD2-CD1 3.95Å; Y476-L484 HydrophobicContact CE1-CD1 3.68Å; Y476-L484 HydrophobicContact CE2-CD1 3.69Å; Y476-L484 HydrophobicContact CG-CD1 4.05Å; E480-L484 WeakPolarHBondContact O-CG 3.39Å; E480-L484 PolarHBondContact O-N 3.16Å; L484-L487 PolarHBondContact O-N 3.35Å; L484-K488 WeakPolarHBondContact O-CB 3.23Å; L484-K488 PolarHBondContact O-N 2.93Å; L484-P494 HydrophobicContact CB-CB 4.34Å; L484-P494 HydrophobicContact CD2-CB 4.36Å; L484-P494 WeakPolarHBondContact CD2-O 3.41Å
485	W	95.8	Very high	95.5	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-72.9	-36.9	178.8	-90.6	99	0	0	0	113.8	T73 W74 H77 Y360 I361 L481 T482 E483 L487 K488 E489	T73-W485 HydrophobicContact CG2-CB 3.75Å; T73-W485 HydrophobicContact CG2-CG 4.1Å; W74-W485 HydrophobicContact CB-CD2 4.16Å; W74-W485 VanDerWaalsContact CB-CE2 3.44Å; W74-W485 HydrophobicContact CB-CH2 4.05Å; W74-W485 HydrophobicContact CB-CZ2 3.45Å; W74-W485 VanDerWaalsContact CB-CZ2 3.45Å; W74-W485 AromaticContact CD1-NE1 3.55Å; W74-W485 HydrophobicContact CG-CZ2 4.49Å; W74-W485 AromaticContact CG-NE1 3.96Å; H77-W485 HydrophobicContact CB-CZ3 4.25Å; Y360-W485 AromaticContact CD2-CD1 3.73Å; Y360-W485 AromaticContact CD2-CE2 3.9Å; Y360-W485 HydrophobicContact CD2-CZ2 4.38Å; Y360-W485 AromaticContact CD2-NE1 3.26Å; Y360-W485 VanDerWaalsContact CD2-NE1 3.26Å; Y360-W485 AromaticContact CE2-CD1 3.79Å; Y360-W485 HydrophobicContact CE2-CD2 4.07Å; Y360-W485 AromaticContact CE2-CE2 3.33Å; Y360-W485 HydrophobicContact CE2-CG 4.23Å; Y360-W485 AromaticContact CE2-CZ2 3.59Å; Y360-W485 HydrophobicContact CE2-CZ2 3.59Å; Y360-W485 AromaticContact CE2-NE1 3.22Å; Y360-W485 AromaticContact CZ-CE2 3.98Å; Y360-W485 AromaticContact CZ-CZ2 3.72Å; I361-W485 WeakPolarHBondContact O-CZ2 3.37Å; L481-W485 PolarHBondContact O-N 3.24Å; L481-W485 VanDerWaalsContact O-N 3.14Å; T482-W485 PolarHBondContact O-N 3.02Å; E483-W485 VanDerWaalsContact C-N 3.29Å; E483-W485 PolarHBondContact O-N 2.97Å; W485-L487 VanDerWaalsContact C-N 3.28Å; W485-L487 PolarHBondContact O-N 3.04Å; W485-K488 HydrophobicContact CE3-CB 4.09Å; W485-K488 HydrophobicContact CE3-CG 3.97Å; W485-K488 HydrophobicContact CH2-CG 4.02Å; W485-K488 HydrophobicContact CZ3-CB 4.28Å; W485-K488 HydrophobicContact CZ3-CG 3.64Å; W485-K488 PolarHBondContact O-N 3.3Å; W485-E489 HydrophobicContact CE3-CG 4.45Å; W485-E489 WeakPolarHBondContact O-CB 3.48Å; W485-E489 WeakPolarHBondContact O-CG 3.31Å; W485-E489 PolarHBondContact O-N 3.45Å
486	K	95.3	Very high	95.2	Very high	101 Å²	101	58 Å²	58	44%	0.439	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-41	170.4	-76	172.3	-176.5	166.6	0	111.6	T482 E483 R490	T482-K486 HydrophobicContact CG2-CD 4.21Å; T482-K486 VanDerWaalsContact O-CG 3.32Å; T482-K486 WeakPolarHBondContact O-CG 3.42Å; T482-K486 PolarHBondContact O-N 2.9Å; E483-K486 PolarHBondContact O-N 2.95Å; E483-K486 WeakPolarHBondContact OE1-CD 3.1Å; E483-K486 IonicContact OE1-NZ 2.85Å; E483-K486 PolarHBondContact OE1-NZ 3.1Å; K486-R490 VanDerWaalsContact O-CB 3.23Å; K486-R490 WeakPolarHBondContact O-CB 3.29Å; K486-R490 PolarHBondContact O-N 2.91Å
487	L	95.2	Very high	94.7	Very high	37 Å²	37	59.4 Å²	59.4	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-47.4	175.6	-73.8	172	0	0	0	111.3	E483 L484 W485 E489 R490 C491 D493 P494	E483-L487 WeakPolarHBondContact O-CG 3.29Å; E483-L487 PolarHBondContact O-N 3.23Å; L484-L487 PolarHBondContact O-N 3.35Å; W485-L487 VanDerWaalsContact C-N 3.28Å; W485-L487 PolarHBondContact O-N 3.04Å; L487-E489 PolarHBondContact O-N 3.35Å; L487-R490 PolarHBondContact O-N 3.13Å; L487-C491 WeakPolarHBondContact O-CA 3.14Å; L487-C491 WeakPolarHBondContact O-CB 3.33Å; L487-C491 PolarHBondContact O-N 3.47Å; L487-D493 CarbonylContact C-O 3.53Å; L487-D493 VanDerWaalsContact C-O 3.3Å; L487-P494 WeakPolarHBondContact CD1-O 3.2Å
488	K	95	Very high	93.8	Very high	43 Å²	43	65.6 Å²	65.6	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-48	175.9	-179.7	66.8	-174.5	-169.2	0	112.1	D362 L484 W485 R490 G492 D493 P494	D362-K488 WeakPolarHBondContact OD2-CE 3.49Å; D362-K488 IonicContact OD2-NZ 3.54Å; D362-K488 PolarHBondContact OD2-NZ 3.41Å; L484-K488 WeakPolarHBondContact O-CB 3.23Å; L484-K488 PolarHBondContact O-N 2.93Å; W485-K488 HydrophobicContact CE3-CB 4.09Å; W485-K488 HydrophobicContact CE3-CG 3.97Å; W485-K488 HydrophobicContact CH2-CG 4.02Å; W485-K488 HydrophobicContact CZ3-CB 4.28Å; W485-K488 HydrophobicContact CZ3-CG 3.64Å; W485-K488 PolarHBondContact O-N 3.3Å; K488-R490 PolarHBondContact O-N 3.41Å; K488-G492 WeakPolarHBondContact CD-O 3.43Å; K488-G492 WeakPolarHBondContact CE-O 3.38Å; K488-G492 PolarHBondContact NZ-O 2.96Å; K488-G492 VanDerWaalsContact O-CA 3.25Å; K488-G492 WeakPolarHBondContact O-CA 3.47Å; K488-G492 PolarHBondContact O-N 2.93Å; K488-D493 PolarHBondContact N-O 2.75Å; K488-P494 HydrophobicContact CB-CB 4.25Å
489	E	92.9	Very high	92.2	Very high	88 Å²	88	68.9 Å²	68.9	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-38.1	179	-73.7	-178.7	159.9	0	0	112.2	R76 W485 L487	R76-E489 IonicContact CZ-OE1 2.74Å; R76-E489 IonicContact NH2-OE1 3.46Å; R76-E489 PolarHBondContact NH2-OE1 3.1Å; R76-E489 IonicContact NH2-OE2 2.64Å; R76-E489 PolarHBondContact NH2-OE2 3.08Å; W485-E489 HydrophobicContact CE3-CG 4.45Å; W485-E489 WeakPolarHBondContact O-CB 3.48Å; W485-E489 WeakPolarHBondContact O-CG 3.31Å; W485-E489 PolarHBondContact O-N 3.45Å; L487-E489 PolarHBondContact O-N 3.35Å
490	R	93.3	Very high	89.9	Confident	177 Å²	177	75.5 Å²	75.5	67%	0.668	37%	0.37	S	S	*	.	H	α-helix	trans	-79.8	-35.3	-177.2	-172.9	173.7	64.6	-158.4	1.2	113.4	K486 L487 K488	K486-R490 VanDerWaalsContact O-CB 3.23Å; K486-R490 WeakPolarHBondContact O-CB 3.29Å; K486-R490 PolarHBondContact O-N 2.91Å; L487-R490 PolarHBondContact O-N 3.13Å; K488-R490 PolarHBondContact O-N 3.41Å
491	C	91.8	Very high	89.5	Confident	47 Å²	47	76.7 Å²	76.7	32%	0.318	38%	0.377	S	S	.	.	H	α-helix	trans	-127.8	-7.8	-162.6	-60.3	0	0	0	0	114.2	L487 D493 C497	L487-C491 WeakPolarHBondContact O-CA 3.14Å; L487-C491 WeakPolarHBondContact O-CB 3.33Å; L487-C491 PolarHBondContact O-N 3.47Å; C491-D493 PolarHBondContact O-N 2.85Å; C491-C497 HydrophobicContact CB-CB 3.71Å; C491-C497 WeakPolarHBondContact CB-SG 3.46Å; C491-C497 WeakPolarHBondContact SG-CB 3.44Å; C491-C497 CovalentContact SG-SG 2.02Å; C491-C497 PolarHBondContact SG-SG 2.77Å
492	G	91.7	Very high	89.1	Confident	49 Å²	49	80.7 Å²	80.7	51%	0.505	40%	0.397	S	S	.	.	S	Bend	trans	80.5	-11.1	-177.5	0	0	0	0	0	114.5	K488	K488-G492 WeakPolarHBondContact CD-O 3.43Å; K488-G492 WeakPolarHBondContact CE-O 3.38Å; K488-G492 PolarHBondContact NZ-O 2.96Å; K488-G492 VanDerWaalsContact O-CA 3.25Å; K488-G492 WeakPolarHBondContact O-CA 3.47Å; K488-G492 PolarHBondContact O-N 2.93Å
493	D	93.6	Very high	88.6	Confident	21 Å²	21	83.4 Å²	83.4	11%	0.112	41%	0.408	C	S	.	.			trans	-128	132.7	179.2	-179.4	-77.2	0	0	0	110	T468 L487 K488 C491 C495 R496	T468-D493 VanDerWaalsContact CA-OD2 3.24Å; T468-D493 WeakPolarHBondContact CA-OD2 3.35Å; T468-D493 WeakPolarHBondContact CB-OD2 3.41Å; T468-D493 WeakPolarHBondContact CG2-OD2 3.3Å; T468-D493 PolarHBondContact OG1-OD2 3.3Å; L487-D493 CarbonylContact C-O 3.53Å; L487-D493 VanDerWaalsContact C-O 3.3Å; K488-D493 PolarHBondContact N-O 2.75Å; C491-D493 PolarHBondContact O-N 2.85Å; D493-C495 VanDerWaalsContact C-N 3.32Å; D493-C495 PolarHBondContact O-N 3.19Å; D493-C495 WeakPolarHBondContact OD1-CA 3.4Å; D493-C495 VanDerWaalsContact OD1-CB 3.28Å; D493-C495 WeakPolarHBondContact OD1-CB 3.29Å; D493-C495 PolarHBondContact OD1-N 3.2Å; D493-R496 WeakPolarHBondContact CB-O 3.34Å; D493-R496 PolarHBondContact OD1-N 3.08Å
494	P	94.7	Very high	88.2	Confident	3 Å²	3	84.7 Å²	84.7	2%	0.019	42%	0.415	C	S	.	.	S	Bend	trans	-76.8	-15.9	-176.4	30.8	-34.5	0	0	0	113.8	Y360 M470 L484 L487 K488	Y360-P494 HydrophobicContact CE1-CB 4.43Å; Y360-P494 HydrophobicContact CE1-CG 4.2Å; Y360-P494 HydrophobicContact CE2-CB 3.75Å; Y360-P494 HydrophobicContact CE2-CG 4.39Å; M470-P494 HydrophobicContact CE-CB 3.96Å; M470-P494 HydrophobicContact CE-CG 3.58Å; M470-P494 HydrophobicContact CG-CG 4.34Å; L484-P494 HydrophobicContact CB-CB 4.34Å; L484-P494 HydrophobicContact CD2-CB 4.36Å; L484-P494 WeakPolarHBondContact CD2-O 3.41Å; L487-P494 WeakPolarHBondContact CD1-O 3.2Å; K488-P494 HydrophobicContact CB-CB 4.25Å
495	C	93.8	Very high	87.6	Confident	38 Å²	38	88.9 Å²	88.9	26%	0.257	44%	0.435	S	S	.	.	S	Bend	trans	-97.7	-35.4	-171.5	-52.6	0	0	0	0	112.7	C466 E467 D493	C466-C495 WeakPolarHBondContact CA-SG 3.5Å; C466-C495 HydrophobicContact CB-CB 3.84Å; C466-C495 WeakPolarHBondContact CB-SG 3.46Å; C466-C495 WeakPolarHBondContact SG-CA 3.33Å; C466-C495 WeakPolarHBondContact SG-CB 3.21Å; C466-C495 CovalentContact SG-SG 2.03Å; C466-C495 PolarHBondContact SG-SG 2.83Å; E467-C495 PolarHBondContact N-SG 3.09Å; D493-C495 VanDerWaalsContact C-N 3.32Å; D493-C495 PolarHBondContact O-N 3.19Å; D493-C495 WeakPolarHBondContact OD1-CA 3.4Å; D493-C495 VanDerWaalsContact OD1-CB 3.28Å; D493-C495 WeakPolarHBondContact OD1-CB 3.29Å; D493-C495 PolarHBondContact OD1-N 3.2Å
496	R	89.1	Confident	87.1	Confident	174 Å²	174	94.6 Å²	94.6	66%	0.657	46%	0.463	S	S	*	.			trans	-159.7	155	179.4	57.2	-176.8	171.1	-174.5	-2.9	112.1	D493	D493-R496 WeakPolarHBondContact CB-O 3.34Å; D493-R496 PolarHBondContact OD1-N 3.08Å
497	C	87.7	Confident	86.5	Confident	48 Å²	48	94.1 Å²	94.1	32%	0.324	47%	0.465	S	S	.	.			trans	-87	132.2	163.2	-56.7	0	0	0	0	108.8	C491 A499	C491-C497 HydrophobicContact CB-CB 3.71Å; C491-C497 WeakPolarHBondContact CB-SG 3.46Å; C491-C497 WeakPolarHBondContact SG-CB 3.44Å; C491-C497 CovalentContact SG-SG 2.02Å; C491-C497 PolarHBondContact SG-SG 2.77Å; C497-A499 PolarHBondContact O-N 2.94Å
498	E	78.1	Confident	85.9	Confident	176 Å²	176	98.5 Å²	98.5	82%	0.822	49%	0.486	S	S	*	.			trans	-60	135.2	167.1	-67.5	-173.4	164.8	0	0	109.1	R500	E498-R500 PolarHBondContact O-N 3.44Å; E498-R500 VanDerWaalsContact O-N 3.09Å
499	A	64.2	Low	85.1	Confident	103 Å²	103	103.2 Å²	103.2	85%	0.851	51%	0.511	S	S	*	.			trans	-65.3	111.9	171	0	0	0	0	0	107.3	C497	C497-A499 PolarHBondContact O-N 2.94Å
500	R	50.3	Low	84.4	Confident	314 Å²	314	104.5 Å²	104.5	100%	1.185	52%	0.52	S	S	*	.			trans	-62	0	177.2	-77.7	-174.1	178.6	179.1	0.2	112.5	E498	E498-R500 PolarHBondContact O-N 3.44Å; E498-R500 VanDerWaalsContact O-N 3.09Å

Retrieved 500 of 500 residues in 157 ms (Link to these results)

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