A0A096NWX2_PAPAN Loading...

Probable cysteine--tRNA ligase, mitochondrial

In addition to its role as an aminoacyl-tRNA synthetase, has also cysteine persulfide synthase activity. Produces reactive persulfide species such as cysteine persulfide (CysSSH) from substrate cysteine and mediate direct incorporation of CysSSH into proteins during translations, resulting in protein persulfides and polysulfides. CysSSHs behave as potent antioxidants and cellular protectants. Mitochondrial cysteine-specific aminoacyl-tRNA synthetase that catalyzes the ATP-dependent ligation of cysteine to tRNA(Cys).

AlphaFold DB , UniProt , Accession A0A096NWX2, Species PAPAN (Papio anubis, Olive baboon), Gene CARS2, Length 563 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	38.8	Very low	31.8	Very low	241 Å²	241	159.7 Å²	159.7	100%	1.187	88%	0.875	S	S	*	*				0	105.6	0	-89.3	179.6	170.7	0	0	108.7
2	L	28.2	Very low	31.6	Very low	176 Å²	176	153.6 Å²	153.6	92%	0.921	85%	0.849	S	S	*	*			trans	-172.5	99.3	149.6	-104.2	144.1	0	0	0	106.1
3	R	29.3	Very low	31.8	Very low	245 Å²	245	153 Å²	153	93%	0.925	84%	0.842	S	S	*	*			trans	-83.2	128.1	172	-92.4	177	164.3	177.4	-4.3	107.4
4	T	28.9	Very low	32.2	Very low	141 Å²	141	149.9 Å²	149.9	87%	0.865	82%	0.823	S	S	*	*			trans	-134.8	126.9	151	39.8	0	0	0	0	110.7
5	R	28.8	Very low	32.2	Very low	248 Å²	248	149.7 Å²	149.7	94%	0.936	81%	0.814	S	S	*	*			trans	-43.7	141.3	-175.2	-71.3	165.3	169.2	178.7	-4.6	115.5
6	G	31.9	Very low	32.2	Very low	77 Å²	77	145.9 Å²	145.9	79%	0.794	81%	0.809	S	S	*	*			trans	-68.3	153.2	166.1	0	0	0	0	0	113.7
7	R	28.1	Very low	32.4	Very low	239 Å²	239	139.9 Å²	139.9	90%	0.902	78%	0.783	S	S	*	*			trans	-133.8	121	150.5	-86.2	-173.9	169.9	-162.5	-3	106.7	L9	R7-L9 PolarHBondContact O-N 3.34Å
8	G	38.6	Very low	32.6	Very low	82 Å²	82	138.2 Å²	138.2	85%	0.845	77%	0.771	S	S	*	*			trans	-65.5	123.6	174.1	0	0	0	0	0	110.3
9	L	31.6	Very low	32.7	Very low	151 Å²	151	134.4 Å²	134.4	79%	0.791	77%	0.767	S	S	*	*			trans	-128.8	63.6	166.3	-80.1	164.2	0	0	0	107	R7	R7-L9 PolarHBondContact O-N 3.34Å
10	G	32.3	Very low	33	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	77%	0.768	S	S	*	*			trans	-105.7	17.7	-177.7	0	0	0	0	0	114.5
11	A	33.5	Very low	32.8	Very low	77 Å²	77	131.7 Å²	131.7	64%	0.636	76%	0.761	S	S	*	*	S	Bend	trans	-127.2	-20.3	-167.9	0	0	0	0	0	118
12	P	28.7	Very low	32.4	Very low	86 Å²	86	126.7 Å²	126.7	56%	0.558	75%	0.746	S	S	*	*	S	Bend	trans	-95.1	-9.8	-179.3	33.4	-29	0	0	0	114.7
13	L	35.2	Very low	32.5	Very low	146 Å²	146	123.3 Å²	123.3	76%	0.764	74%	0.744	S	S	*	*	H	α-helix	trans	-84.4	-19	-179.7	-85.4	158.1	0	0	0	114
14	L	36.2	Very low	32.6	Very low	110 Å²	110	114.5 Å²	114.5	58%	0.576	73%	0.729	S	S	*	*	H	α-helix	trans	-77.4	-26.6	179.4	-132.2	86.1	0	0	0	113.1	L18	L14-L18 HydrophobicContact CD2-CD1 4.42Å; L14-L18 WeakPolarHBondContact O-CD1 3.44Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.24Å
15	Q	32.3	Very low	32.5	Very low	146 Å²	146	119.2 Å²	119.2	68%	0.682	73%	0.732	S	S	*	*	H	α-helix	trans	-79	-29.9	-177	-80.4	-176.1	-19.7	0	0	113.5	A17	Q15-A17 VanDerWaalsContact C-N 3.35Å
16	A	33	Very low	32.3	Very low	89 Å²	89	116.9 Å²	116.9	74%	0.736	73%	0.731	S	S	*	*	H	α-helix	trans	-74.3	-26.7	174.8	0	0	0	0	0	112.5
17	A	36.1	Very low	32.8	Very low	45 Å²	45	121.7 Å²	121.7	37%	0.372	73%	0.725	S	S	.	*	H	α-helix	trans	-80.7	-17.4	177.8	0	0	0	0	0	113.8	Q15	Q15-A17 VanDerWaalsContact C-N 3.35Å
18	L	36	Very low	32.9	Very low	108 Å²	108	114.8 Å²	114.8	57%	0.565	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	2.2	-176.3	-71.5	170.7	0	0	0	114.6	L14 L20	L14-L18 HydrophobicContact CD2-CD1 4.42Å; L14-L18 WeakPolarHBondContact O-CD1 3.44Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.24Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-L20 VanDerWaalsContact O-N 3.08Å
19	G	33.3	Very low	32.9	Very low	67 Å²	67	115.7 Å²	115.7	69%	0.691	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.6	16.2	172.9	0	0	0	0	0	116.2	G21	G19-G21 PolarHBondContact O-N 3.2Å
20	L	38.3	Very low	33.3	Very low	151 Å²	151	110 Å²	110	79%	0.791	69%	0.688	S	S	*	*			trans	-95	76	179.8	-67.6	172.7	0	0	0	111.1	L18	L18-L20 PolarHBondContact O-N 3.38Å; L18-L20 VanDerWaalsContact O-N 3.08Å
21	G	30.4	Very low	33.7	Very low	60 Å²	60	116.8 Å²	116.8	62%	0.619	69%	0.689	S	S	*	*			trans	-113.8	154.1	160.4	0	0	0	0	0	110.5	G19 A23	G19-G21 PolarHBondContact O-N 3.2Å; G21-A23 PolarHBondContact O-N 3.29Å
22	P	28.8	Very low	34.1	Very low	136 Å²	136	116.8 Å²	116.8	88%	0.883	69%	0.689	S	S	*	*	S	Bend	trans	-75.1	125.9	-164.8	29.2	-31.9	0	0	0	113.2
23	A	32.2	Very low	34.8	Very low	106 Å²	106	114.3 Å²	114.3	88%	0.876	68%	0.676	S	S	*	*			trans	55.9	110.6	157.1	0	0	0	0	0	119.6	G21	G21-A23 PolarHBondContact O-N 3.29Å
24	G	29.5	Very low	34.9	Very low	59 Å²	59	113.3 Å²	113.3	61%	0.608	68%	0.681	S	S	*	*				139	55.2	114.1	0	0	0	0	0	119.4
25	W	27.6	Very low	34.8	Very low	241 Å²	241	109.9 Å²	109.9	91%	0.913	67%	0.672	S	S	*	*			trans	-142.2	84.3	158.8	-64.5	72.1	0	0	0	110
26	H	25.7	Very low	35.1	Very low	199 Å²	199	106.7 Å²	106.7	92%	0.921	68%	0.679	S	S	*	*			trans	-80	119.1	164.1	-76.6	-66.4	0	0	0	108.3
27	W	40.7	Very low	35.5	Very low	178 Å²	178	115.1 Å²	115.1	67%	0.674	69%	0.691	S	S	*	*			trans	-110	143.3	177.6	-156.5	-107.3	0	0	0	111.3	T45	W27-T45 PolarHBondContact NE1-OG1 3.15Å; W27-T45 VanDerWaalsContact NE1-OG1 3.12Å
28	P	30.2	Very low	36	Very low	94 Å²	94	115.8 Å²	115.8	61%	0.61	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-71.9	145.5	-175.4	-6.7	23.1	0	0	0	111.3	G30	P28-G30 PolarHBondContact O-N 3.2Å
29	A	39.5	Very low	37	Very low	101 Å²	101	119 Å²	119	84%	0.835	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-59.7	132.8	174.1	0	0	0	0	0	111.6
30	G	39.1	Very low	38.9	Very low	31 Å²	31	117.2 Å²	117.2	32%	0.32	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-60.9	158.7	175.4	0	0	0	0	0	112.9	P28	P28-G30 PolarHBondContact O-N 3.2Å
31	R	41.5	Very low	41.3	Very low	223 Å²	223	110.8 Å²	110.8	84%	0.842	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-82	132.1	179.4	-68.7	-176.2	179	-153.9	-0.1	110.3	Q43	R31-Q43 PolarHBondContact O-N 2.94Å
32	A	41.8	Very low	44.2	Very low	76 Å²	76	110.4 Å²	110.4	63%	0.628	64%	0.635	S	S	*	*	B	Isolated β-bridge	trans	-78.7	130.6	177.8	0	0	0	0	0	111.4	A40	A32-A40 HydrophobicContact CB-CB 3.83Å
33	A	44.6	Very low	47.3	Very low	34 Å²	34	107.3 Å²	107.3	28%	0.281	61%	0.609	S	S	.	*			trans	-108.4	126.6	170	0	0	0	0	0	110.7	G35 A40	A33-G35 PolarHBondContact O-N 3.31Å; A33-A40 WeakPolarHBondContact O-CB 3.47Å
34	S	35.7	Very low	50.2	Low	125 Å²	125	103 Å²	103	87%	0.874	57%	0.571	S	S	*	*			trans	-68.9	118	-169.1	58.5	0	0	0	0	113.9
35	G	34.4	Very low	53.1	Low	38 Å²	38	103.8 Å²	103.8	39%	0.392	57%	0.565	S	S	.	*			trans	-128	146.6	161.5	0	0	0	0	0	109.5	A33	A33-G35 PolarHBondContact O-N 3.31Å
36	G	38.9	Very low	56.3	Low	80 Å²	80	94.7 Å²	94.7	83%	0.825	55%	0.546	S	S	*	.	S	Bend	trans	-61.2	142.6	-172.4	0	0	0	0	0	114.9
37	R	41.6	Very low	59.6	Low	265 Å²	265	90.9 Å²	90.9	100%	1	52%	0.523	S	S	*	.	S	Bend	trans	24.6	95.5	175	-65.2	-170	-166.1	-150.4	3.5	116
38	G	45.7	Very low	62.2	Low	59 Å²	59	88.6 Å²	88.6	61%	0.608	52%	0.52	S	S	*	.	S	Bend	trans	128.5	116.7	-179.3	0	0	0	0	0	107.6
39	R	58.3	Low	65.3	Low	176 Å²	176	84.8 Å²	84.8	66%	0.664	50%	0.495	S	S	*	.			trans	-41.2	138.4	-161.9	-74.4	176.1	171.8	-164.4	-3.6	114.7	W41 E296	R39-W41 PolarHBondContact O-N 3.46Å; R39-E296 IonicContact CZ-OE1 3.7Å; R39-E296 IonicContact CZ-OE2 2.7Å; R39-E296 IonicContact NH1-OE1 3.85Å; R39-E296 PolarHBondContact NH1-OE1 2.92Å; R39-E296 IonicContact NH1-OE2 3.73Å; R39-E296 PolarHBondContact NH1-OE2 2.93Å
40	A	71.6	Confident	68	Low	29 Å²	29	82.8 Å²	82.8	24%	0.24	48%	0.484	C	S	.	.			trans	-49.8	128.9	179.4	0	0	0	0	0	112	A32 A33 L42	A32-A40 HydrophobicContact CB-CB 3.83Å; A33-A40 WeakPolarHBondContact O-CB 3.47Å; A40-L42 PolarHBondContact O-N 2.64Å
41	W	89.2	Confident	70.8	Confident	16 Å²	16	81.4 Å²	81.4	6%	0.061	47%	0.47	C	S	.	.			trans	-47.5	129.2	163.5	171.8	81.6	0	0	0	109.8	R39 Q43 P44 N55 T58 E62 N300 Y301	R39-W41 PolarHBondContact O-N 3.46Å; W41-Q43 HydrophobicContact CE3-CB 4.18Å; W41-Q43 HydrophobicContact CH2-CB 3.96Å; W41-Q43 HydrophobicContact CH2-CG 3.83Å; W41-Q43 HydrophobicContact CZ3-CB 3.58Å; W41-Q43 HydrophobicContact CZ3-CG 3.84Å; W41-Q43 PolarHBondContact O-N 3.49Å; W41-P44 HydrophobicContact CZ2-CG 4.27Å; W41-N55 PolarHBondContact NE1-ND2 3.24Å; W41-T58 HydrophobicContact CB-CG2 3.24Å; W41-T58 HydrophobicContact CD2-CG2 4.13Å; W41-T58 HydrophobicContact CG-CG2 3.46Å; W41-T58 VanDerWaalsContact CG-CG2 3.46Å; W41-E62 HydrophobicContact CE3-CG 4.47Å; W41-E62 HydrophobicContact CH2-CB 4Å; W41-E62 HydrophobicContact CH2-CG 4.21Å; W41-E62 HydrophobicContact CZ2-CB 4.28Å; W41-E62 HydrophobicContact CZ2-CG 4.34Å; W41-E62 HydrophobicContact CZ3-CB 4.44Å; W41-E62 HydrophobicContact CZ3-CG 4.29Å; W41-N300 PolarHBondContact NE1-O 2.9Å; W41-Y301 HydrophobicContact CH2-CE1 4.35Å; W41-Y301 HydrophobicContact CZ2-CD1 4.48Å; W41-Y301 AromaticContact CZ2-CE1 3.64Å; W41-Y301 HydrophobicContact CZ2-CE1 3.64Å; W41-Y301 AromaticContact CZ2-CZ 3.91Å
42	L	91.8	Very high	73.5	Confident	52 Å²	52	75.5 Å²	75.5	27%	0.272	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-86.3	111	179.6	-60.3	179.1	0	0	0	106.6	A40 P44 E296 Q297	A40-L42 PolarHBondContact O-N 2.64Å; L42-P44 WeakPolarHBondContact O-CD 3.43Å; L42-P44 VanDerWaalsContact O-N 3.15Å; L42-E296 HydrophobicContact CD1-CB 4.21Å; L42-Q297 HydrophobicContact CD1-CB 4.24Å; L42-Q297 PolarHBondContact O-NE2 2.82Å; L42-Q297 PolarHBondContact O-OE1 3.47Å
43	Q	92.9	Very high	76.2	Confident	72 Å²	72	72 Å²	72	34%	0.336	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-59.7	122.6	176.5	-177.3	177.4	-43	0	0	108.7	R31 W41 I65	R31-Q43 PolarHBondContact O-N 2.94Å; W41-Q43 HydrophobicContact CE3-CB 4.18Å; W41-Q43 HydrophobicContact CH2-CB 3.96Å; W41-Q43 HydrophobicContact CH2-CG 3.83Å; W41-Q43 HydrophobicContact CZ3-CB 3.58Å; W41-Q43 HydrophobicContact CZ3-CG 3.84Å; W41-Q43 PolarHBondContact O-N 3.49Å; Q43-I65 HydrophobicContact CG-CD1 3.86Å; Q43-I65 VanDerWaalsContact NE2-CD1 3.28Å
44	P	93.6	Very high	78.8	Confident	15 Å²	15	72.9 Å²	72.9	10%	0.097	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-69.2	152.7	-179.4	25.6	-29.9	0	0	0	110.7	W41 L42 I65 N300 Y301	W41-P44 HydrophobicContact CZ2-CG 4.27Å; L42-P44 WeakPolarHBondContact O-CD 3.43Å; L42-P44 VanDerWaalsContact O-N 3.15Å; P44-I65 HydrophobicContact CG-CB 4.2Å; P44-I65 WeakPolarHBondContact CG-O 3.31Å; P44-N300 HydrophobicContact CB-CB 4.45Å; P44-N300 HydrophobicContact CG-CB 4.08Å; P44-Y301 HydrophobicContact CG-CE2 4.06Å; P44-Y301 WeakPolarHBondContact CG-OH 2.98Å
45	T	91.8	Very high	81.7	Confident	76 Å²	76	66.9 Å²	66.9	47%	0.466	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-91.3	142.6	171.3	58.7	0	0	0	0	109.7	W27	W27-T45 PolarHBondContact NE1-OG1 3.15Å; W27-T45 VanDerWaalsContact NE1-OG1 3.12Å
46	G	93.8	Very high	84.6	Confident	50 Å²	50	65.9 Å²	65.9	52%	0.515	36%	0.364	S	S	.	.	S	Bend	trans	152.8	-149.9	177.4	0	0	0	0	0	112.1	V66	G46-V66 CarbonylContact C-O 3.52Å; G46-V66 WeakPolarHBondContact CA-O 3.45Å
47	R	95.1	Very high	87.2	Confident	119 Å²	119	63.4 Å²	63.4	45%	0.449	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.5	179.2	177.1	170.2	166.6	-148.8	-4.9	110.4	T49 I65 V66 A69	R47-T49 PolarHBondContact O-N 2.98Å; R47-I65 WeakPolarHBondContact O-CA 3.41Å; R47-V66 PolarHBondContact N-O 3.43Å; R47-V66 PolarHBondContact O-N 3.47Å; R47-A69 HydrophobicContact CB-CB 4.49Å; R47-A69 HydrophobicContact CG-CB 4.49Å
48	E	95.6	Very high	89.7	Confident	129 Å²	129	51.9 Å²	51.9	60%	0.603	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.7	166.3	-55.8	-164.1	171.6	0	0	110	I65	E48-I65 HydrophobicContact CG-CD1 4.02Å; E48-I65 HydrophobicContact CG-CG1 3.97Å; E48-I65 HydrophobicContact CG-CG2 4.49Å
49	T	95.9	Very high	92	Very high	14 Å²	14	55 Å²	55	9%	0.086	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-14.1	-178.5	61.3	0	0	0	0	112.9	R47 V51 L64 V66 C109	R47-T49 PolarHBondContact O-N 2.98Å; T49-V51 WeakPolarHBondContact OG1-CB 3.41Å; T49-V51 PolarHBondContact OG1-N 3Å; T49-L64 WeakPolarHBondContact CB-O 3.44Å; T49-L64 HydrophobicContact CG2-CD2 4.15Å; T49-L64 HydrophobicContact CG2-CG 4.05Å; T49-L64 WeakPolarHBondContact CG2-O 3.48Å; T49-L64 PolarHBondContact N-O 2.93Å; T49-L64 WeakPolarHBondContact OG1-CB 3.4Å; T49-L64 PolarHBondContact OG1-O 3.12Å; T49-V66 HydrophobicContact CG2-CG1 4.09Å; T49-V66 HydrophobicContact CG2-CG2 4.04Å; T49-C109 VanDerWaalsContact CG2-SG 3.56Å
50	G	95.9	Very high	93.8	Very high	59 Å²	59	50.4 Å²	50.4	61%	0.608	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	78.6	3.3	-169.4	0	0	0	0	0	113.9
51	V	98.3	Very high	95.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.2	173.8	-179.9	0	0	0	0	109.2	T49 L64 L103 F107 A410 F413	T49-V51 WeakPolarHBondContact OG1-CB 3.41Å; T49-V51 PolarHBondContact OG1-N 3Å; V51-L64 HydrophobicContact CB-CB 4.14Å; V51-L64 HydrophobicContact CB-CD2 4.24Å; V51-L64 HydrophobicContact CG1-CD2 4.42Å; V51-L64 WeakPolarHBondContact O-CB 3.46Å; V51-L64 PolarHBondContact O-N 3.32Å; V51-L103 HydrophobicContact CG2-CD2 4.06Å; V51-F107 HydrophobicContact CG2-CB 4.21Å; V51-F107 HydrophobicContact CG2-CD1 3.44Å; V51-F107 VanDerWaalsContact CG2-CD1 3.44Å; V51-F107 HydrophobicContact CG2-CD2 3.49Å; V51-F107 VanDerWaalsContact CG2-CD2 3.49Å; V51-F107 HydrophobicContact CG2-CE1 3.56Å; V51-F107 HydrophobicContact CG2-CE2 3.59Å; V51-F107 HydrophobicContact CG2-CG 3.42Å; V51-F107 VanDerWaalsContact CG2-CG 3.42Å; V51-F107 HydrophobicContact CG2-CZ 3.65Å; V51-A410 CarbonylContact C-O 3.55Å; V51-A410 WeakPolarHBondContact CA-O 3.31Å; V51-F413 HydrophobicContact CG1-CE1 3.91Å; V51-F413 HydrophobicContact CG1-CE2 4.48Å; V51-F413 HydrophobicContact CG1-CZ 3.83Å
52	Q	98.1	Very high	95.4	Very high	100 Å²	100	52.6 Å²	52.6	47%	0.467	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.2	159	-62.8	-168.8	22.7	0	0	108.8	K61 E62 A410 D412	Q52-K61 HydrophobicContact CB-CB 4.37Å; Q52-E62 CarbonylContact C-O 3.55Å; Q52-E62 VanDerWaalsContact CA-O 3.24Å; Q52-E62 WeakPolarHBondContact CA-O 3.45Å; Q52-A410 PolarHBondContact N-O 3.3Å; Q52-D412 WeakPolarHBondContact O-CA 3.47Å; Q52-D412 PolarHBondContact O-N 3.48Å
53	V	98.1	Very high	95.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.9	179.8	63.6	0	0	0	0	109.8	N55 K61 E62 L64 Y301 L303 F413	V53-N55 PolarHBondContact O-N 2.88Å; V53-K61 CarbonylContact O-C 3.09Å; V53-K61 WeakPolarHBondContact O-CA 3.47Å; V53-E62 PolarHBondContact N-O 3.13Å; V53-E62 PolarHBondContact O-N 3.08Å; V53-L64 HydrophobicContact CG1-CB 4.02Å; V53-L64 HydrophobicContact CG1-CD1 4.21Å; V53-Y301 HydrophobicContact CG1-CD1 3.52Å; V53-Y301 HydrophobicContact CG1-CE1 3.98Å; V53-Y301 HydrophobicContact CG1-CG 4.16Å; V53-L303 HydrophobicContact CG2-CD1 4.17Å; V53-L303 HydrophobicContact CG2-CD2 4.04Å; V53-L303 HydrophobicContact CG2-CG 3.96Å; V53-F413 HydrophobicContact CB-CE2 4.48Å; V53-F413 HydrophobicContact CG2-CE2 3.97Å
54	Y	98.1	Very high	96	Very high	53 Å²	53	49 Å²	49	21%	0.208	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	117.5	170.4	-177.7	-91.5	0	0	0	110.2	R59 R60 R349 D412	Y54-R59 VanDerWaalsContact CE2-O 3.32Å; Y54-R59 WeakPolarHBondContact CE2-O 3.43Å; Y54-R59 WeakPolarHBondContact OH-CA 3.26Å; Y54-R60 WeakPolarHBondContact CA-O 3.29Å; Y54-R349 VanDerWaalsContact CB-CZ 3.44Å; Y54-R349 VanDerWaalsContact CB-NH1 3.26Å; Y54-R349 VanDerWaalsContact CG-NE 3.34Å; Y54-R349 VanDerWaalsContact CG-NH1 3.32Å; Y54-R349 VanDerWaalsContact CG-NH2 3.31Å; Y54-R349 VanDerWaalsContact CZ-NH2 3.26Å; Y54-D412 VanDerWaalsContact CB-OD2 3.31Å; Y54-D412 WeakPolarHBondContact CB-OD2 3.28Å; Y54-D412 PolarHBondContact N-OD1 2.87Å
55	N	97.5	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.4	180	-172.7	-1.8	0	0	0	109.8	W41 V53 L57 T58 R59 R60 E62 N300 Y301 F302	W41-N55 PolarHBondContact NE1-ND2 3.24Å; V53-N55 PolarHBondContact O-N 2.88Å; N55-L57 PolarHBondContact O-N 3.35Å; N55-L57 WeakPolarHBondContact OD1-CB 3.46Å; N55-L57 PolarHBondContact OD1-N 3.47Å; N55-L57 VanDerWaalsContact OD1-N 3.15Å; N55-T58 PolarHBondContact O-N 2.91Å; N55-T58 VanDerWaalsContact O-N 3.09Å; N55-R59 WeakPolarHBondContact O-CA 3.4Å; N55-R59 PolarHBondContact O-N 3.11Å; N55-R60 PolarHBondContact N-O 2.88Å; N55-E62 HydrophobicContact CB-CG 4.09Å; N55-N300 PolarHBondContact ND2-O 2.83Å; N55-Y301 HydrophobicContact CB-CD1 4.42Å; N55-F302 PolarHBondContact OD1-N 3.1Å
56	S	95.8	Very high	96.4	Very high	16 Å²	16	44.9 Å²	44.9	11%	0.112	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.6	178	-70.3	0	0	0	0	113.6	F302 H304	S56-F302 WeakPolarHBondContact CB-O 3.48Å; S56-F302 PolarHBondContact N-O 3.13Å; S56-F302 PolarHBondContact OG-O 3.02Å; S56-H304 WeakPolarHBondContact CB-ND1 3.44Å; S56-H304 PolarHBondContact OG-ND1 3.43Å
57	L	93.6	Very high	96.3	Very high	29 Å²	29	43.8 Å²	43.8	15%	0.152	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-43.3	173	-69.9	171.9	0	0	0	112.1	N55 K205 L206 I286 G299 F302	N55-L57 PolarHBondContact O-N 3.35Å; N55-L57 WeakPolarHBondContact OD1-CB 3.46Å; N55-L57 PolarHBondContact OD1-N 3.47Å; N55-L57 VanDerWaalsContact OD1-N 3.15Å; L57-K205 HydrophobicContact CD2-CB 4.16Å; L57-L206 HydrophobicContact CD2-CD2 3.65Å; L57-L206 HydrophobicContact CD2-CG 4.29Å; L57-L206 HydrophobicContact CG-CD2 4.06Å; L57-I286 HydrophobicContact CD2-CD1 3.76Å; L57-G299 WeakPolarHBondContact CD1-O 3.22Å; L57-F302 HydrophobicContact CD1-CD2 3.4Å; L57-F302 HydrophobicContact CD1-CE2 3.73Å; L57-F302 HydrophobicContact CD2-CD2 3.91Å; L57-F302 HydrophobicContact CD2-CE2 4.13Å; L57-F302 HydrophobicContact CG-CB 4.39Å; L57-F302 HydrophobicContact CG-CD2 3.48Å; L57-F302 VanDerWaalsContact CG-CD2 3.48Å; L57-F302 HydrophobicContact CG-CE2 4.09Å; L57-F302 HydrophobicContact CG-CG 4.2Å
58	T	93.9	Very high	96.2	Very high	23 Å²	23	44.4 Å²	44.4	14%	0.141	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-12.1	-174	65.2	0	0	0	0	113.6	W41 N55 R60 E62	W41-T58 HydrophobicContact CB-CG2 3.24Å; W41-T58 HydrophobicContact CD2-CG2 4.13Å; W41-T58 HydrophobicContact CG-CG2 3.46Å; W41-T58 VanDerWaalsContact CG-CG2 3.46Å; N55-T58 PolarHBondContact O-N 2.91Å; N55-T58 VanDerWaalsContact O-N 3.09Å; T58-R60 PolarHBondContact O-N 3.05Å; T58-R60 VanDerWaalsContact OG1-CG 3.31Å; T58-R60 WeakPolarHBondContact OG1-CG 3.49Å; T58-E62 WeakPolarHBondContact CB-OE1 3.41Å; T58-E62 WeakPolarHBondContact CG2-OE1 3.39Å; T58-E62 PolarHBondContact OG1-OE1 3.34Å
59	R	94	Very high	95.9	Very high	125 Å²	125	38.7 Å²	38.7	47%	0.472	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	31.1	-175.5	-52.2	178.7	-156.4	159	14.6	113	Y54 N55 V207 G208	Y54-R59 VanDerWaalsContact CE2-O 3.32Å; Y54-R59 WeakPolarHBondContact CE2-O 3.43Å; Y54-R59 WeakPolarHBondContact OH-CA 3.26Å; N55-R59 WeakPolarHBondContact O-CA 3.4Å; N55-R59 PolarHBondContact O-N 3.11Å; R59-V207 PolarHBondContact NH2-O 3.12Å; R59-G208 VanDerWaalsContact NH1-CA 3.33Å; R59-G208 VanDerWaalsContact NH2-N 3.18Å
60	R	95.8	Very high	95.7	Very high	78 Å²	78	44.9 Å²	44.9	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	167.8	176.2	62.4	-177.2	-174.2	-97.9	-6.9	109.9	Y54 N55 T58 E62	Y54-R60 WeakPolarHBondContact CA-O 3.29Å; N55-R60 PolarHBondContact N-O 2.88Å; T58-R60 PolarHBondContact O-N 3.05Å; T58-R60 VanDerWaalsContact OG1-CG 3.31Å; T58-R60 WeakPolarHBondContact OG1-CG 3.49Å; R60-E62 WeakPolarHBondContact CG-OE1 3.32Å; R60-E62 IonicContact CZ-OE1 3.79Å; R60-E62 IonicContact NE-OE1 2.66Å; R60-E62 PolarHBondContact NE-OE1 2.66Å; R60-E62 IonicContact NE-OE2 2.74Å; R60-E62 IonicContact NH2-OE1 3.14Å; R60-E62 PolarHBondContact NH2-OE1 3.12Å
61	K	97.5	Very high	95.6	Very high	77 Å²	77	44.4 Å²	44.4	34%	0.335	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.4	171.2	-65.6	-176.4	179.6	-174.3	0	109	Q52 V53 D411 D412	Q52-K61 HydrophobicContact CB-CB 4.37Å; V53-K61 CarbonylContact O-C 3.09Å; V53-K61 WeakPolarHBondContact O-CA 3.47Å; K61-D411 WeakPolarHBondContact CD-OD1 3.43Å; K61-D411 IonicContact NZ-OD1 3.01Å; K61-D411 PolarHBondContact NZ-OD1 3.17Å; K61-D411 IonicContact NZ-OD2 3.92Å; K61-D411 PolarHBondContact NZ-OD2 2.75Å; K61-D411 VanDerWaalsContact NZ-OD2 3.12Å; K61-D412 HydrophobicContact CD-CB 4.14Å; K61-D412 HydrophobicContact CG-CB 4.47Å
62	E	97.4	Very high	95.6	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.3	176.9	-59.9	-67.8	-178	0	0	109.2	W41 Q52 V53 N55 T58 R60 L64 Y301	W41-E62 HydrophobicContact CE3-CG 4.47Å; W41-E62 HydrophobicContact CH2-CB 4Å; W41-E62 HydrophobicContact CH2-CG 4.21Å; W41-E62 HydrophobicContact CZ2-CB 4.28Å; W41-E62 HydrophobicContact CZ2-CG 4.34Å; W41-E62 HydrophobicContact CZ3-CB 4.44Å; W41-E62 HydrophobicContact CZ3-CG 4.29Å; Q52-E62 CarbonylContact C-O 3.55Å; Q52-E62 VanDerWaalsContact CA-O 3.24Å; Q52-E62 WeakPolarHBondContact CA-O 3.45Å; V53-E62 PolarHBondContact N-O 3.13Å; V53-E62 PolarHBondContact O-N 3.08Å; N55-E62 HydrophobicContact CB-CG 4.09Å; T58-E62 WeakPolarHBondContact CB-OE1 3.41Å; T58-E62 WeakPolarHBondContact CG2-OE1 3.39Å; T58-E62 PolarHBondContact OG1-OE1 3.34Å; R60-E62 WeakPolarHBondContact CG-OE1 3.32Å; R60-E62 IonicContact CZ-OE1 3.79Å; R60-E62 IonicContact NE-OE1 2.66Å; R60-E62 PolarHBondContact NE-OE1 2.66Å; R60-E62 IonicContact NE-OE2 2.74Å; R60-E62 IonicContact NH2-OE1 3.14Å; R60-E62 PolarHBondContact NH2-OE1 3.12Å; E62-L64 PolarHBondContact O-N 3.33Å; E62-Y301 HydrophobicContact CB-CE1 4.19Å
63	P	97.7	Very high	95.6	Very high	45 Å²	45	40.1 Å²	40.1	29%	0.292	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.4	167.2	27.3	-33.3	0	0	0	109.7	I65 Y301	P63-I65 HydrophobicContact CB-CG1 4.29Å; P63-I65 HydrophobicContact CG-CD1 4.42Å; P63-I65 HydrophobicContact CG-CG1 4.49Å; P63-I65 PolarHBondContact O-N 3.39Å; P63-I65 VanDerWaalsContact O-N 3.17Å; P63-Y301 PolarHBondContact O-OH 3.45Å
64	L	98.1	Very high	95.6	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	101.1	174	176.8	66.1	0	0	0	108.8	T49 V51 V53 E62 V66 L103 I270 Y301	T49-L64 WeakPolarHBondContact CB-O 3.44Å; T49-L64 HydrophobicContact CG2-CD2 4.15Å; T49-L64 HydrophobicContact CG2-CG 4.05Å; T49-L64 WeakPolarHBondContact CG2-O 3.48Å; T49-L64 PolarHBondContact N-O 2.93Å; T49-L64 WeakPolarHBondContact OG1-CB 3.4Å; T49-L64 PolarHBondContact OG1-O 3.12Å; V51-L64 HydrophobicContact CB-CB 4.14Å; V51-L64 HydrophobicContact CB-CD2 4.24Å; V51-L64 HydrophobicContact CG1-CD2 4.42Å; V51-L64 WeakPolarHBondContact O-CB 3.46Å; V51-L64 PolarHBondContact O-N 3.32Å; V53-L64 HydrophobicContact CG1-CB 4.02Å; V53-L64 HydrophobicContact CG1-CD1 4.21Å; E62-L64 PolarHBondContact O-N 3.33Å; L64-V66 HydrophobicContact CD1-CG1 4.17Å; L64-V66 HydrophobicContact CG-CG1 4.25Å; L64-L103 HydrophobicContact CD2-CD1 4.13Å; L64-L103 HydrophobicContact CD2-CD2 3.57Å; L64-I270 HydrophobicContact CD1-CD1 4.37Å; L64-I270 HydrophobicContact CD1-CG1 4.49Å; L64-Y301 HydrophobicContact CD1-CD1 4.39Å; L64-Y301 HydrophobicContact CD1-CD2 3.6Å; L64-Y301 HydrophobicContact CD1-CE1 4.35Å; L64-Y301 HydrophobicContact CD1-CE2 3.6Å; L64-Y301 HydrophobicContact CD1-CG 4.05Å
65	I	97.9	Very high	95.6	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	173.8	-44.4	-174.7	0	0	0	107.7	Q43 P44 R47 E48 P63 Y301	Q43-I65 HydrophobicContact CG-CD1 3.86Å; Q43-I65 VanDerWaalsContact NE2-CD1 3.28Å; P44-I65 HydrophobicContact CG-CB 4.2Å; P44-I65 WeakPolarHBondContact CG-O 3.31Å; R47-I65 WeakPolarHBondContact O-CA 3.41Å; E48-I65 HydrophobicContact CG-CD1 4.02Å; E48-I65 HydrophobicContact CG-CG1 3.97Å; E48-I65 HydrophobicContact CG-CG2 4.49Å; P63-I65 HydrophobicContact CB-CG1 4.29Å; P63-I65 HydrophobicContact CG-CD1 4.42Å; P63-I65 HydrophobicContact CG-CG1 4.49Å; P63-I65 PolarHBondContact O-N 3.39Å; P63-I65 VanDerWaalsContact O-N 3.17Å; I65-Y301 PolarHBondContact N-OH 3.39Å; I65-Y301 VanDerWaalsContact O-CE2 3.31Å; I65-Y301 WeakPolarHBondContact O-CE2 3.36Å; I65-Y301 PolarHBondContact O-OH 3.27Å; I65-Y301 VanDerWaalsContact O-OH 3.11Å
66	V	96.5	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.6	-179.2	-61.9	0	0	0	0	110.1	G46 R47 T49 L64 H68 A69 T72 D269	G46-V66 CarbonylContact C-O 3.52Å; G46-V66 WeakPolarHBondContact CA-O 3.45Å; R47-V66 PolarHBondContact N-O 3.43Å; R47-V66 PolarHBondContact O-N 3.47Å; T49-V66 HydrophobicContact CG2-CG1 4.09Å; T49-V66 HydrophobicContact CG2-CG2 4.04Å; L64-V66 HydrophobicContact CD1-CG1 4.17Å; L64-V66 HydrophobicContact CG-CG1 4.25Å; V66-H68 PolarHBondContact O-N 3.18Å; V66-A69 HydrophobicContact CG2-CB 4.08Å; V66-T72 HydrophobicContact CB-CG2 4.11Å; V66-T72 HydrophobicContact CG1-CG2 3.61Å; V66-D269 WeakPolarHBondContact CA-OD1 3.2Å; V66-D269 HydrophobicContact CG1-CB 4.49Å
67	A	92.3	Very high	95.7	Very high	26 Å²	26	37 Å²	37	22%	0.215	19%	0.186	C	C	.	.	S	Bend	trans	-59.2	-48.8	-179.5	0	0	0	0	0	111.4	D269	A67-D269 PolarHBondContact N-OD1 3.08Å
68	H	91.5	Very high	95.7	Very high	133 Å²	133	36.4 Å²	36.4	62%	0.616	19%	0.186	S	C	*	.			trans	-136.5	112.8	178.5	-57.9	-64.9	0	0	0	110.7	V66 E70 A71 T72	V66-H68 PolarHBondContact O-N 3.18Å; H68-E70 VanDerWaalsContact C-N 3.25Å; H68-E70 PolarHBondContact O-N 3.43Å; H68-A71 CarbonylContact O-C 3.47Å; H68-A71 PolarHBondContact O-N 3.39Å; H68-A71 VanDerWaalsContact O-N 3.15Å; H68-T72 WeakPolarHBondContact O-CA 3.47Å; H68-T72 PolarHBondContact O-N 3.42Å; H68-T72 PolarHBondContact O-OG1 3.35Å
69	A	89.9	Confident	95.8	Very high	9 Å²	9	36 Å²	36	7%	0.074	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-69	-23	179.7	0	0	0	0	0	113.7	R47 V66 A71 C109 N110	R47-A69 HydrophobicContact CB-CB 4.49Å; R47-A69 HydrophobicContact CG-CB 4.49Å; V66-A69 HydrophobicContact CG2-CB 4.08Å; A69-A71 VanDerWaalsContact C-N 3.27Å; A69-C109 CarbonylContact O-C 3.56Å; A69-N110 PolarHBondContact O-N 3.45Å
70	E	91.4	Very high	95.9	Very high	143 Å²	143	31.3 Å²	31.3	67%	0.668	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-78.7	-10.4	174.7	-59.3	-56.7	146.9	0	0	113.1	H68 N110	H68-E70 VanDerWaalsContact C-N 3.25Å; H68-E70 PolarHBondContact O-N 3.43Å; E70-N110 WeakPolarHBondContact O-CB 3.44Å; E70-N110 PolarHBondContact O-ND2 2.87Å
71	A	94.4	Very high	95.9	Very high	49 Å²	49	27.7 Å²	27.7	41%	0.405	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-154.4	57.1	-179.8	0	0	0	0	0	110.7	H68 A69 S73 N110 V112	H68-A71 CarbonylContact O-C 3.47Å; H68-A71 PolarHBondContact O-N 3.39Å; H68-A71 VanDerWaalsContact O-N 3.15Å; A69-A71 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 2.98Å; A71-N110 CarbonylContact C-O 3.18Å; A71-N110 WeakPolarHBondContact CA-O 3.27Å; A71-V112 HydrophobicContact CB-CG2 4.22Å
72	T	97.7	Very high	95.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.1	179.3	-60.5	0	0	0	0	109.4	V66 H68 N110 V112 D269 I270	V66-T72 HydrophobicContact CB-CG2 4.11Å; V66-T72 HydrophobicContact CG1-CG2 3.61Å; H68-T72 WeakPolarHBondContact O-CA 3.47Å; H68-T72 PolarHBondContact O-N 3.42Å; H68-T72 PolarHBondContact O-OG1 3.35Å; T72-N110 PolarHBondContact N-O 3.4Å; T72-V112 PolarHBondContact O-N 3.31Å; T72-D269 HydrophobicContact CG2-CB 4.09Å; T72-I270 HydrophobicContact CG2-CD1 4.43Å
73	S	98.3	Very high	95.7	Very high	11 Å²	11	26.5 Å²	26.5	8%	0.077	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.5	-174.9	56.5	0	0	0	0	111	A71 F264 D269 I270	A71-S73 PolarHBondContact O-N 2.98Å; S73-F264 VanDerWaalsContact CB-CD1 3.47Å; S73-D269 PolarHBondContact N-OD2 3.43Å; S73-D269 WeakPolarHBondContact O-CB 3.35Å; S73-D269 PolarHBondContact OG-N 3.48Å; S73-D269 PolarHBondContact OG-OD2 3.17Å; S73-I270 PolarHBondContact O-N 3.31Å
74	W	98.7	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	116.9	179	-167.3	-30.1	0	0	0	110.4	F96 I99 R100 L103 I111 V112 M113 V114 I270 S272	W74-F96 HydrophobicContact CZ2-CB 4.31Å; W74-F96 HydrophobicContact CZ2-CD1 4.05Å; W74-F96 HydrophobicContact CZ2-CG 4.49Å; W74-I99 HydrophobicContact CH2-CB 4.16Å; W74-I99 HydrophobicContact CH2-CG2 3.7Å; W74-I99 HydrophobicContact CZ3-CG2 4.31Å; W74-R100 HydrophobicContact CH2-CB 4.26Å; W74-R100 HydrophobicContact CZ3-CB 4Å; W74-L103 HydrophobicContact CZ3-CD1 3.89Å; W74-I111 HydrophobicContact CB-CG2 3.83Å; W74-I111 HydrophobicContact CD2-CG2 4.42Å; W74-I111 HydrophobicContact CE3-CD1 3.82Å; W74-I111 HydrophobicContact CE3-CG1 4.39Å; W74-I111 HydrophobicContact CE3-CG2 3.87Å; W74-I111 HydrophobicContact CG-CG2 4.46Å; W74-I111 HydrophobicContact CZ3-CD1 3.84Å; W74-V112 PolarHBondContact N-O 2.94Å; W74-M113 HydrophobicContact CB-CG 4.46Å; W74-M113 HydrophobicContact CG-CG 4.42Å; W74-M113 CarbonylContact O-C 3.4Å; W74-M113 VanDerWaalsContact O-CA 3.25Å; W74-M113 WeakPolarHBondContact O-CA 3.48Å; W74-V114 PolarHBondContact O-N 3.16Å; W74-I270 CarbonylContact C-O 3.55Å; W74-I270 VanDerWaalsContact CA-O 3.28Å; W74-I270 WeakPolarHBondContact CA-O 3.37Å; W74-I270 HydrophobicContact CB-CB 4.29Å; W74-I270 HydrophobicContact CD2-CB 3.94Å; W74-I270 HydrophobicContact CD2-CD1 4.29Å; W74-I270 HydrophobicContact CD2-CG2 3.59Å; W74-I270 VanDerWaalsContact CE2-CG2 3.45Å; W74-I270 HydrophobicContact CE3-CB 4.37Å; W74-I270 HydrophobicContact CE3-CD1 3.84Å; W74-I270 HydrophobicContact CE3-CG2 4.15Å; W74-I270 HydrophobicContact CG-CB 3.88Å; W74-I270 HydrophobicContact CG-CG2 3.87Å; W74-I270 HydrophobicContact CH2-CG2 4.49Å; W74-I270 HydrophobicContact CZ2-CG2 3.95Å; W74-I270 HydrophobicContact CZ3-CD1 4.15Å; W74-S272 PolarHBondContact NE1-OG 3.32Å
75	Y	98.7	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.8	168.7	-169.8	-91.6	0	0	0	111.4	V114 C256 I259 A260 I270 H271 S272	Y75-V114 HydrophobicContact CD2-CB 3.95Å; Y75-V114 HydrophobicContact CD2-CG1 3.8Å; Y75-V114 HydrophobicContact CE2-CB 4.45Å; Y75-V114 HydrophobicContact CE2-CG1 3.81Å; Y75-C256 HydrophobicContact CE1-CB 3.91Å; Y75-C256 WeakPolarHBondContact OH-CA 3.43Å; Y75-C256 PolarHBondContact OH-SG 2.93Å; Y75-C256 VanDerWaalsContact OH-SG 3.38Å; Y75-I259 HydrophobicContact CE2-CB 4.47Å; Y75-I259 HydrophobicContact CE2-CG2 3.94Å; Y75-A260 HydrophobicContact CD1-CB 4.25Å; Y75-A260 HydrophobicContact CD2-CB 3.5Å; Y75-A260 VanDerWaalsContact CD2-CB 3.5Å; Y75-A260 HydrophobicContact CE1-CB 4.5Å; Y75-A260 HydrophobicContact CE2-CB 3.8Å; Y75-A260 HydrophobicContact CG-CB 3.74Å; Y75-I270 PolarHBondContact N-O 2.94Å; Y75-H271 AromaticContact CD1-CD2 3.85Å; Y75-H271 AromaticContact CD1-CE1 3.9Å; Y75-H271 AromaticContact CD1-NE2 3.29Å; Y75-H271 VanDerWaalsContact CD1-NE2 3.29Å; Y75-H271 WeakPolarHBondContact CD1-NE2 3.29Å; Y75-H271 AromaticContact CE1-NE2 3.91Å; Y75-H271 CarbonylContact O-C 3.47Å; Y75-H271 WeakPolarHBondContact O-CA 3.3Å; Y75-S272 PolarHBondContact O-N 3.41Å
76	S	97.8	Very high	95	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128	173.4	-177.5	0	0	0	0	109.8	G78 V114 M115 S272	S76-G78 PolarHBondContact O-N 3.13Å; S76-V114 PolarHBondContact N-O 3.17Å; S76-M115 WeakPolarHBondContact O-CA 3.39Å; S76-S272 WeakPolarHBondContact CB-OG 3.34Å; S76-S272 PolarHBondContact OG-OG 2.91Å
77	C	96.1	Very high	94.7	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.034	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.2	169.1	-62.4	0	0	0	0	109.1	H271 S272 L277 H281 H282	C77-H271 VanDerWaalsContact SG-CE1 3.55Å; C77-S272 PolarHBondContact N-O 3.46Å; C77-L277 HydrophobicContact CB-CD1 3.65Å; C77-H281 PolarHBondContact SG-NE2 3.03Å; C77-H281 VanDerWaalsContact SG-NE2 3.39Å; C77-H282 PolarHBondContact SG-NE2 2.86Å
78	G	94.8	Very high	94.6	Very high	16 Å²	16	27 Å²	27	17%	0.165	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-171	175.7	0	0	0	0	0	112.4	S76 Y93 G116	S76-G78 PolarHBondContact O-N 3.13Å; G78-Y93 VanDerWaalsContact C-OH 3.23Å; G78-Y93 WeakPolarHBondContact CA-OH 3.38Å; G78-G116 WeakPolarHBondContact CA-O 3.31Å; G78-G116 PolarHBondContact N-O 3.31Å; G78-G116 VanDerWaalsContact N-O 3.13Å
79	P	95.7	Very high	94.6	Very high	14 Å²	14	23.5 Å²	23.5	9%	0.091	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	153.5	-176.3	33.3	-37.1	0	0	0	112.7	V81 Y93 I117 T118 F146	P79-V81 HydrophobicContact CB-CG1 4.42Å; P79-V81 HydrophobicContact CG-CG1 3.91Å; P79-Y93 WeakPolarHBondContact CD-OH 3.34Å; P79-I117 HydrophobicContact CG-CD1 4.14Å; P79-T118 PolarHBondContact O-N 2.94Å; P79-F146 HydrophobicContact CB-CD2 4.33Å; P79-F146 HydrophobicContact CB-CE2 4.43Å; P79-F146 HydrophobicContact CG-CB 4.41Å; P79-F146 HydrophobicContact CG-CD1 3.67Å; P79-F146 HydrophobicContact CG-CD2 3.86Å; P79-F146 HydrophobicContact CG-CE1 3.77Å; P79-F146 HydrophobicContact CG-CE2 3.97Å; P79-F146 HydrophobicContact CG-CG 3.7Å; P79-F146 HydrophobicContact CG-CZ 3.92Å
80	T	96.1	Very high	94.8	Very high	26 Å²	26	23 Å²	23	16%	0.16	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.9	153.6	-44.5	0	0	0	0	109.1	Y82 T118 D121 I124	T80-Y82 VanDerWaalsContact C-N 3.28Å; T80-Y82 HydrophobicContact CG2-CD1 3.86Å; T80-Y82 WeakPolarHBondContact O-CD1 3.49Å; T80-Y82 PolarHBondContact O-N 2.94Å; T80-T118 HydrophobicContact CG2-CG2 4Å; T80-D121 HydrophobicContact CG2-CB 3.81Å; T80-I124 HydrophobicContact CG2-CD1 3.99Å; T80-I124 HydrophobicContact CG2-CG1 4.07Å
81	V	96.6	Very high	94.9	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	10%	0.099	C	C	.	.			trans	-86.1	60.7	-169.4	-68.5	0	0	0	0	112.4	P79 I117 T118 D119 I124 A139 E143	P79-V81 HydrophobicContact CB-CG1 4.42Å; P79-V81 HydrophobicContact CG-CG1 3.91Å; V81-I117 HydrophobicContact CG1-CG2 3.83Å; V81-I117 HydrophobicContact CG2-CG2 4.03Å; V81-T118 WeakPolarHBondContact CG2-O 3.28Å; V81-T118 PolarHBondContact N-O 3.49Å; V81-D119 HydrophobicContact CG2-CB 4.01Å; V81-I124 HydrophobicContact CG2-CD1 4.2Å; V81-A139 HydrophobicContact CG2-CB 3.68Å; V81-A139 WeakPolarHBondContact CG2-O 3.5Å; V81-A139 WeakPolarHBondContact O-CA 3.45Å; V81-E143 HydrophobicContact CB-CB 4.43Å; V81-E143 HydrophobicContact CG1-CB 3.97Å
82	Y	95	Very high	95	Very high	42 Å²	42	14.6 Å²	14.6	17%	0.165	8%	0.084	C	C	.	.	S	Bend	trans	-107.6	-12.4	177.5	75.7	-85.4	0	0	0	114.1	T80 K123 R127 Y142 K319	T80-Y82 VanDerWaalsContact C-N 3.28Å; T80-Y82 HydrophobicContact CG2-CD1 3.86Å; T80-Y82 WeakPolarHBondContact O-CD1 3.49Å; T80-Y82 PolarHBondContact O-N 2.94Å; Y82-K123 HydrophobicContact CD1-CB 3.96Å; Y82-K123 HydrophobicContact CD1-CD 4.18Å; Y82-K123 HydrophobicContact CD2-CB 4.16Å; Y82-K123 HydrophobicContact CE1-CB 4.25Å; Y82-K123 HydrophobicContact CE1-CD 3.68Å; Y82-K123 HydrophobicContact CE2-CB 4.43Å; Y82-K123 HydrophobicContact CG-CB 3.9Å; Y82-R127 WeakPolarHBondContact O-CG 3.4Å; Y82-Y142 VanDerWaalsContact C-CD2 3.46Å; Y82-Y142 WeakPolarHBondContact O-CE2 3.25Å; Y82-K319 HydrophobicContact CE1-CD 4.04Å; Y82-K319 HydrophobicContact CE2-CD 3.97Å; Y82-K319 VanDerWaalsContact CZ-CD 3.47Å; Y82-K319 WeakPolarHBondContact OH-CB 3.29Å; Y82-K319 WeakPolarHBondContact OH-CD 3.36Å
83	D	94.3	Very high	95	Very high	24 Å²	24	15.5 Å²	15.5	13%	0.128	9%	0.087	C	C	.	.	S	Bend	trans	-165	168.6	-177	-174.7	23.8	0	0	0	110.3	K319 Y324	D83-K319 HydrophobicContact CB-CD 4.05Å; D83-K319 PolarHBondContact O-NZ 2.77Å; D83-Y324 PolarHBondContact OD2-OH 3.48Å; D83-Y324 VanDerWaalsContact OD2-OH 3.08Å
84	H	93.8	Very high	95	Very high	59 Å²	59	15 Å²	15	27%	0.273	8%	0.084	S	C	.	.			trans	-53.8	146.9	-179.2	-66.4	-64	0	0	0	113.6	Y142 D145 K319 T326	H84-Y142 AromaticContact CD2-CE1 3.91Å; H84-Y142 AromaticContact CE1-CE1 3.66Å; H84-Y142 AromaticContact CG-CE1 3.88Å; H84-Y142 AromaticContact ND1-CE1 3.73Å; H84-Y142 AromaticContact NE2-CE1 3.78Å; H84-D145 IonicContact CE1-OD1 3.21Å; H84-D145 IonicContact CE1-OD2 3.41Å; H84-D145 IonicContact CG-OD2 3.04Å; H84-D145 IonicContact ND1-OD1 2.64Å; H84-D145 IonicContact ND1-OD2 3.57Å; H84-D145 PolarHBondContact ND1-OD2 2.84Å; H84-K319 WeakPolarHBondContact O-CE 3.47Å; H84-K319 PolarHBondContact O-NZ 3.48Å; H84-T326 HydrophobicContact CB-CG2 4.22Å
85	A	93.7	Very high	95	Very high	7 Å²	7	15.3 Å²	15.3	6%	0.058	9%	0.085	C	C	.	.			trans	-72.6	153	171.1	0	0	0	0	0	111.3	F146 T326 I327	A85-F146 HydrophobicContact CB-CD2 4.22Å; A85-T326 WeakPolarHBondContact O-CA 3.45Å; A85-I327 HydrophobicContact CB-CD1 3.67Å; A85-I327 PolarHBondContact O-N 2.9Å
86	H	91.6	Very high	95	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.042	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-129.3	170.3	-177.2	60.5	61.7	0	0	0	111.2	G88 H89 A90 M317 Y324 I325	H86-G88 WeakPolarHBondContact ND1-CA 3.26Å; H86-G88 PolarHBondContact ND1-N 2.81Å; H86-G88 VanDerWaalsContact ND1-N 3.17Å; H86-G88 PolarHBondContact O-N 3.36Å; H86-G88 VanDerWaalsContact O-N 3.12Å; H86-H89 AromaticContact CD2-CE1 3.61Å; H86-H89 AromaticContact CD2-ND1 3.67Å; H86-H89 AromaticContact CE1-CE1 3.58Å; H86-H89 AromaticContact CE1-CG 3.89Å; H86-H89 AromaticContact CE1-ND1 3.64Å; H86-H89 AromaticContact CE1-NE2 3.82Å; H86-H89 AromaticContact CG-ND1 3.8Å; H86-H89 PolarHBondContact ND1-N 2.97Å; H86-H89 AromaticContact ND1-ND1 3.78Å; H86-H89 AromaticContact NE2-CE1 3.2Å; H86-H89 PolarHBondContact NE2-CE1 3.15Å; H86-H89 AromaticContact NE2-ND1 3.57Å; H86-H89 AromaticContact NE2-NE2 3.7Å; H86-H89 WeakPolarHBondContact O-CA 3.47Å; H86-H89 WeakPolarHBondContact O-CB 3.27Å; H86-H89 PolarHBondContact O-N 3.08Å; H86-A90 PolarHBondContact O-N 2.9Å; H86-M317 HydrophobicContact CB-SD 4.07Å; H86-Y324 HydrophobicContact CB-CD2 3.7Å; H86-Y324 HydrophobicContact CB-CG 4.17Å; H86-I325 VanDerWaalsContact CA-O 3.28Å; H86-I325 WeakPolarHBondContact CA-O 3.27Å; H86-I325 VanDerWaalsContact CB-O 3.31Å; H86-I325 WeakPolarHBondContact CB-O 3.36Å
87	L	91.3	Very high	95	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-31.6	-174.5	-68	-176	0	0	0	114.5	H89 A90 C91 L308 M317 I325 F330 F339 Y354	L87-H89 PolarHBondContact O-N 3.09Å; L87-A90 HydrophobicContact CD2-CB 4.32Å; L87-A90 WeakPolarHBondContact O-CB 3.31Å; L87-A90 PolarHBondContact O-N 3.32Å; L87-C91 WeakPolarHBondContact O-CB 3.4Å; L87-C91 PolarHBondContact O-N 3.23Å; L87-L308 VanDerWaalsContact C-CD2 3.46Å; L87-L308 HydrophobicContact CB-CD2 3.52Å; L87-L308 WeakPolarHBondContact O-CD2 3.2Å; L87-M317 HydrophobicContact CB-CE 4.23Å; L87-M317 HydrophobicContact CB-SD 3.89Å; L87-I325 HydrophobicContact CD1-CB 3.91Å; L87-I325 HydrophobicContact CD1-CD1 4.27Å; L87-I325 HydrophobicContact CD1-CG2 3.92Å; L87-I325 HydrophobicContact CG-CB 4.18Å; L87-I325 HydrophobicContact CG-CG2 4.24Å; L87-I325 PolarHBondContact N-O 2.86Å; L87-F330 HydrophobicContact CD1-CB 4.11Å; L87-F330 HydrophobicContact CD1-CD2 3.71Å; L87-F330 HydrophobicContact CD1-CE2 4.46Å; L87-F330 HydrophobicContact CD1-CG 4.09Å; L87-F330 HydrophobicContact CD2-CB 3.72Å; L87-F330 HydrophobicContact CD2-CD1 3.98Å; L87-F330 HydrophobicContact CD2-CD2 3.97Å; L87-F330 HydrophobicContact CD2-CG 3.61Å; L87-F330 HydrophobicContact CG-CB 4.2Å; L87-F330 HydrophobicContact CG-CD2 4.45Å; L87-F330 HydrophobicContact CG-CG 4.37Å; L87-F339 HydrophobicContact CD2-CE2 3.98Å; L87-F339 HydrophobicContact CD2-CZ 4.23Å; L87-Y354 HydrophobicContact CD1-CD2 3.79Å; L87-Y354 HydrophobicContact CD1-CE2 3.6Å; L87-Y354 HydrophobicContact CD1-CG 4.42Å
88	G	89.8	Confident	95.2	Very high	16 Å²	16	15.6 Å²	15.6	17%	0.165	9%	0.086	C	C	.	.	H	α-helix	trans	-56.8	-45.7	170.1	0	0	0	0	0	113.8	H86 S92	H86-G88 WeakPolarHBondContact ND1-CA 3.26Å; H86-G88 PolarHBondContact ND1-N 2.81Å; H86-G88 VanDerWaalsContact ND1-N 3.17Å; H86-G88 PolarHBondContact O-N 3.36Å; H86-G88 VanDerWaalsContact O-N 3.12Å; G88-S92 PolarHBondContact O-N 3.16Å
89	H	91.1	Very high	95.4	Very high	58 Å²	58	15 Å²	15	27%	0.269	8%	0.079	S	C	.	.	H	α-helix	trans	-66.3	-46.8	173.5	-62.2	136.2	0	0	0	111	H86 L87 C91 S92 Y93	H86-H89 AromaticContact CD2-CE1 3.61Å; H86-H89 AromaticContact CD2-ND1 3.67Å; H86-H89 AromaticContact CE1-CE1 3.58Å; H86-H89 AromaticContact CE1-CG 3.89Å; H86-H89 AromaticContact CE1-ND1 3.64Å; H86-H89 AromaticContact CE1-NE2 3.82Å; H86-H89 AromaticContact CG-ND1 3.8Å; H86-H89 PolarHBondContact ND1-N 2.97Å; H86-H89 AromaticContact ND1-ND1 3.78Å; H86-H89 AromaticContact NE2-CE1 3.2Å; H86-H89 PolarHBondContact NE2-CE1 3.15Å; H86-H89 AromaticContact NE2-ND1 3.57Å; H86-H89 AromaticContact NE2-NE2 3.7Å; H86-H89 WeakPolarHBondContact O-CA 3.47Å; H86-H89 WeakPolarHBondContact O-CB 3.27Å; H86-H89 PolarHBondContact O-N 3.08Å; L87-H89 PolarHBondContact O-N 3.09Å; H89-C91 VanDerWaalsContact C-N 3.26Å; H89-C91 PolarHBondContact O-N 3.44Å; H89-S92 PolarHBondContact O-N 3.24Å; H89-S92 VanDerWaalsContact O-N 3.17Å; H89-Y93 HydrophobicContact CB-CD2 4.21Å; H89-Y93 HydrophobicContact CB-CE2 3.97Å; H89-Y93 WeakPolarHBondContact O-CD2 3.47Å; H89-Y93 PolarHBondContact O-N 2.85Å
90	A	93.9	Very high	95.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-52.9	-45.7	179.2	0	0	0	0	0	111.9	H86 L87 S92 Y93 V94 L153 I327 F339	H86-A90 PolarHBondContact O-N 2.9Å; L87-A90 HydrophobicContact CD2-CB 4.32Å; L87-A90 WeakPolarHBondContact O-CB 3.31Å; L87-A90 PolarHBondContact O-N 3.32Å; A90-S92 PolarHBondContact O-N 3.04Å; A90-Y93 PolarHBondContact O-N 3.13Å; A90-V94 VanDerWaalsContact O-CB 3.23Å; A90-V94 WeakPolarHBondContact O-CB 3.49Å; A90-V94 VanDerWaalsContact O-CG2 3.23Å; A90-V94 WeakPolarHBondContact O-CG2 3Å; A90-V94 PolarHBondContact O-N 3.35Å; A90-L153 HydrophobicContact CB-CD1 3.54Å; A90-I327 HydrophobicContact CB-CD1 3.82Å; A90-I327 HydrophobicContact CB-CG1 3.88Å; A90-F339 HydrophobicContact CB-CE1 3.68Å; A90-F339 HydrophobicContact CB-CZ 3.8Å
91	C	94.7	Very high	95.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-44.3	-178.6	-172.3	0	0	0	0	111.9	L87 H89 R95 L308 F339	L87-C91 WeakPolarHBondContact O-CB 3.4Å; L87-C91 PolarHBondContact O-N 3.23Å; H89-C91 VanDerWaalsContact C-N 3.26Å; H89-C91 PolarHBondContact O-N 3.44Å; C91-R95 VanDerWaalsContact O-CB 3.28Å; C91-R95 WeakPolarHBondContact O-CB 3.41Å; C91-R95 WeakPolarHBondContact O-CD 3.3Å; C91-R95 WeakPolarHBondContact O-CG 3.2Å; C91-R95 PolarHBondContact O-N 3.44Å; C91-R95 VanDerWaalsContact SG-CZ 3.53Å; C91-R95 PolarHBondContact SG-NE 3.29Å; C91-L308 HydrophobicContact CB-CB 4.41Å; C91-L308 HydrophobicContact CB-CD2 4.36Å; C91-F339 HydrophobicContact CB-CZ 4.13Å
92	S	95.6	Very high	95.7	Very high	13 Å²	13	16.3 Å²	16.3	9%	0.091	8%	0.079	C	C	.	.	H	α-helix	trans	-60.1	-55.2	175.6	178.6	0	0	0	0	111.5	G88 H89 A90 V94 R95 F96 S305	G88-S92 PolarHBondContact O-N 3.16Å; H89-S92 PolarHBondContact O-N 3.24Å; H89-S92 VanDerWaalsContact O-N 3.17Å; A90-S92 PolarHBondContact O-N 3.04Å; S92-V94 PolarHBondContact O-N 2.88Å; S92-R95 PolarHBondContact O-N 3.1Å; S92-F96 WeakPolarHBondContact O-CD2 3.4Å; S92-F96 PolarHBondContact O-N 3.16Å; S92-S305 VanDerWaalsContact CB-OG 3.31Å; S92-S305 WeakPolarHBondContact CB-OG 3.23Å; S92-S305 PolarHBondContact OG-OG 2.86Å
93	Y	97.9	Very high	95.9	Very high	20 Å²	20	14.4 Å²	14.4	8%	0.078	7%	0.071	C	C	.	.	H	α-helix	trans	-65.7	-38.7	-176.4	-64.6	-59.1	0	0	0	113	G78 P79 H89 A90 F96 D97 M115 F146 M150	G78-Y93 VanDerWaalsContact C-OH 3.23Å; G78-Y93 WeakPolarHBondContact CA-OH 3.38Å; P79-Y93 WeakPolarHBondContact CD-OH 3.34Å; H89-Y93 HydrophobicContact CB-CD2 4.21Å; H89-Y93 HydrophobicContact CB-CE2 3.97Å; H89-Y93 WeakPolarHBondContact O-CD2 3.47Å; H89-Y93 PolarHBondContact O-N 2.85Å; A90-Y93 PolarHBondContact O-N 3.13Å; Y93-F96 PolarHBondContact O-N 3.02Å; Y93-D97 VanDerWaalsContact O-CB 3.28Å; Y93-D97 WeakPolarHBondContact O-CB 3.43Å; Y93-D97 PolarHBondContact O-N 2.75Å; Y93-M115 HydrophobicContact CD1-CE 3.99Å; Y93-M115 HydrophobicContact CE1-CE 3.76Å; Y93-M115 HydrophobicContact CE1-SD 4.41Å; Y93-F146 AromaticContact CD2-CE2 3.83Å; Y93-F146 HydrophobicContact CD2-CE2 3.83Å; Y93-F146 HydrophobicContact CD2-CZ 4.16Å; Y93-F146 HydrophobicContact CE1-CZ 4.3Å; Y93-F146 AromaticContact CE2-CE2 3.42Å; Y93-F146 HydrophobicContact CE2-CE2 3.42Å; Y93-F146 VanDerWaalsContact CE2-CE2 3.42Å; Y93-F146 AromaticContact CE2-CZ 3.75Å; Y93-F146 HydrophobicContact CE2-CZ 3.75Å; Y93-F146 AromaticContact CZ-CE2 3.96Å; Y93-F146 AromaticContact CZ-CZ 3.83Å; Y93-M150 HydrophobicContact CD2-CE 4.17Å; Y93-M150 HydrophobicContact CD2-SD 3.67Å; Y93-M150 HydrophobicContact CG-SD 3.81Å
94	V	98.5	Very high	96	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-41.7	175.7	167.5	0	0	0	0	111.3	A90 S92 D97 I98 L153 V155 F339 R340 C343	A90-V94 VanDerWaalsContact O-CB 3.23Å; A90-V94 WeakPolarHBondContact O-CB 3.49Å; A90-V94 VanDerWaalsContact O-CG2 3.23Å; A90-V94 WeakPolarHBondContact O-CG2 3Å; A90-V94 PolarHBondContact O-N 3.35Å; S92-V94 PolarHBondContact O-N 2.88Å; V94-D97 PolarHBondContact O-N 2.93Å; V94-I98 HydrophobicContact CG1-CD1 3.87Å; V94-I98 WeakPolarHBondContact O-CD1 3.34Å; V94-I98 VanDerWaalsContact O-CG1 3.27Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 PolarHBondContact O-N 3.4Å; V94-L153 HydrophobicContact CG2-CB 4.11Å; V94-L153 HydrophobicContact CG2-CD1 4.27Å; V94-V155 HydrophobicContact CG2-CG2 3.74Å; V94-F339 HydrophobicContact CB-CE1 4.28Å; V94-F339 HydrophobicContact CG2-CD1 4.07Å; V94-F339 HydrophobicContact CG2-CE1 3.95Å; V94-R340 HydrophobicContact CG1-CB 4.4Å; V94-R340 HydrophobicContact CG1-CG 3.83Å; V94-C343 HydrophobicContact CG1-CB 4.12Å
95	R	98.1	Very high	96.2	Very high	6 Å²	6	20.1 Å²	20.1	2%	0.023	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-45.2	176.6	-78.7	167.6	165.1	179.3	-7.6	111.7	C91 S92 I98 I99 G306 C343 S346 S347 Y348 S350	C91-R95 VanDerWaalsContact O-CB 3.28Å; C91-R95 WeakPolarHBondContact O-CB 3.41Å; C91-R95 WeakPolarHBondContact O-CD 3.3Å; C91-R95 WeakPolarHBondContact O-CG 3.2Å; C91-R95 PolarHBondContact O-N 3.44Å; C91-R95 VanDerWaalsContact SG-CZ 3.53Å; C91-R95 PolarHBondContact SG-NE 3.29Å; S92-R95 PolarHBondContact O-N 3.1Å; R95-I98 WeakPolarHBondContact O-CB 3.36Å; R95-I98 PolarHBondContact O-N 2.94Å; R95-I99 WeakPolarHBondContact O-CG1 3.41Å; R95-I99 PolarHBondContact O-N 3.24Å; R95-G306 PolarHBondContact NH1-O 2.82Å; R95-C343 HydrophobicContact CG-CB 4.22Å; R95-S346 PolarHBondContact NH2-OG 2.85Å; R95-S347 PolarHBondContact NH2-O 2.98Å; R95-Y348 PolarHBondContact NH1-O 2.75Å; R95-Y348 VanDerWaalsContact NH1-O 3.16Å; R95-S350 PolarHBondContact NH1-O 3.04Å; R95-S350 PolarHBondContact NH2-O 3.28Å; R95-S350 VanDerWaalsContact NH2-O 3.11Å
96	F	98.5	Very high	96.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-71.1	-32.2	177.6	-68.9	-54.6	0	0	0	113.2	W74 S92 Y93 I99 R100 G273 L303 Y348	W74-F96 HydrophobicContact CZ2-CB 4.31Å; W74-F96 HydrophobicContact CZ2-CD1 4.05Å; W74-F96 HydrophobicContact CZ2-CG 4.49Å; S92-F96 WeakPolarHBondContact O-CD2 3.4Å; S92-F96 PolarHBondContact O-N 3.16Å; Y93-F96 PolarHBondContact O-N 3.02Å; F96-I99 HydrophobicContact CD1-CD1 4.08Å; F96-I99 HydrophobicContact CE1-CD1 4.42Å; F96-I99 PolarHBondContact O-N 3.1Å; F96-R100 VanDerWaalsContact O-CB 3.3Å; F96-R100 WeakPolarHBondContact O-CB 3.31Å; F96-R100 PolarHBondContact O-N 3.34Å; F96-G273 WeakPolarHBondContact CE2-O 3.12Å; F96-G273 WeakPolarHBondContact CZ-O 3.46Å; F96-L303 HydrophobicContact CE1-CB 3.79Å; F96-L303 HydrophobicContact CZ-CB 4.42Å; F96-L303 VanDerWaalsContact CZ-O 3.29Å; F96-L303 WeakPolarHBondContact CZ-O 3.34Å; F96-Y348 HydrophobicContact CE1-CD2 4.17Å; F96-Y348 HydrophobicContact CE1-CE2 4.32Å
97	D	98.8	Very high	96.7	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-62.2	-42.8	170.2	175.7	70.8	0	0	0	111.8	Y93 V94 R100 R101 V155 L156 R340	Y93-D97 VanDerWaalsContact O-CB 3.28Å; Y93-D97 WeakPolarHBondContact O-CB 3.43Å; Y93-D97 PolarHBondContact O-N 2.75Å; V94-D97 PolarHBondContact O-N 2.93Å; D97-R100 PolarHBondContact O-N 3Å; D97-R101 WeakPolarHBondContact O-CB 3.48Å; D97-R101 WeakPolarHBondContact O-CD 3.29Å; D97-R101 WeakPolarHBondContact O-CG 3.4Å; D97-R101 PolarHBondContact O-N 3.45Å; D97-R101 IonicContact OD1-NE 2.8Å; D97-R101 PolarHBondContact OD1-NE 2.98Å; D97-R101 WeakPolarHBondContact OD2-CD 3.39Å; D97-R101 IonicContact OD2-CZ 2.79Å; D97-R101 IonicContact OD2-NE 3.76Å; D97-R101 PolarHBondContact OD2-NE 2.96Å; D97-R101 IonicContact OD2-NH2 3.47Å; D97-V155 HydrophobicContact CB-CB 4.46Å; D97-V155 HydrophobicContact CB-CG1 4.1Å; D97-V155 HydrophobicContact CB-CG2 4.27Å; D97-L156 WeakPolarHBondContact OD1-CB 3.32Å; D97-L156 WeakPolarHBondContact OD1-CG 3.44Å; D97-L156 PolarHBondContact OD1-N 2.77Å; D97-R340 IonicContact OD2-CZ 3.75Å; D97-R340 VanDerWaalsContact OD2-CZ 3.25Å; D97-R340 IonicContact OD2-NH1 2.81Å; D97-R340 PolarHBondContact OD2-NH1 3.02Å; D97-R340 IonicContact OD2-NH2 3.8Å; D97-R340 PolarHBondContact OD2-NH2 3.19Å
98	I	98.8	Very high	96.9	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-48.2	173.7	-71.9	161.8	0	0	0	110.5	V94 R95 R101 I102 C343 L344 T415 V463	V94-I98 HydrophobicContact CG1-CD1 3.87Å; V94-I98 WeakPolarHBondContact O-CD1 3.34Å; V94-I98 VanDerWaalsContact O-CG1 3.27Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 PolarHBondContact O-N 3.4Å; R95-I98 WeakPolarHBondContact O-CB 3.36Å; R95-I98 PolarHBondContact O-N 2.94Å; I98-R101 PolarHBondContact O-N 3.47Å; I98-I102 HydrophobicContact CG2-CD1 3.64Å; I98-I102 HydrophobicContact CG2-CG1 4.5Å; I98-I102 WeakPolarHBondContact O-CD1 3.44Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.42Å; I98-I102 PolarHBondContact O-N 2.97Å; I98-C343 HydrophobicContact CD1-CB 4.27Å; I98-L344 HydrophobicContact CD1-CD2 3.83Å; I98-L344 HydrophobicContact CD1-CG 4.2Å; I98-L344 HydrophobicContact CG1-CD2 4.39Å; I98-L344 HydrophobicContact CG2-CD2 3.74Å; I98-T415 HydrophobicContact CG2-CG2 4.29Å; I98-V463 HydrophobicContact CG2-CG1 4.23Å
99	I	98.8	Very high	97.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-46.3	178.2	-66.6	169.4	0	0	0	111.1	W74 R95 F96 R101 I102 L103 Y348 F413	W74-I99 HydrophobicContact CH2-CB 4.16Å; W74-I99 HydrophobicContact CH2-CG2 3.7Å; W74-I99 HydrophobicContact CZ3-CG2 4.31Å; R95-I99 WeakPolarHBondContact O-CG1 3.41Å; R95-I99 PolarHBondContact O-N 3.24Å; F96-I99 HydrophobicContact CD1-CD1 4.08Å; F96-I99 HydrophobicContact CE1-CD1 4.42Å; F96-I99 PolarHBondContact O-N 3.1Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.05Å; I99-I102 PolarHBondContact O-N 3.05Å; I99-L103 HydrophobicContact CG2-CD1 4.14Å; I99-L103 HydrophobicContact CG2-CG 4.45Å; I99-L103 PolarHBondContact O-N 2.62Å; I99-Y348 HydrophobicContact CD1-CD1 3.75Å; I99-Y348 HydrophobicContact CD1-CD2 3.86Å; I99-Y348 HydrophobicContact CD1-CE1 4.11Å; I99-Y348 HydrophobicContact CD1-CE2 4.2Å; I99-Y348 HydrophobicContact CD1-CG 3.62Å; I99-F413 HydrophobicContact CD1-CD2 4.02Å; I99-F413 HydrophobicContact CD1-CG 4.5Å; I99-F413 HydrophobicContact CG1-CB 4.21Å; I99-F413 HydrophobicContact CG1-CD2 3.93Å; I99-F413 HydrophobicContact CG1-CE2 4.47Å; I99-F413 HydrophobicContact CG1-CG 3.96Å; I99-F413 HydrophobicContact CG2-CD1 4.1Å; I99-F413 HydrophobicContact CG2-CD2 3.82Å; I99-F413 HydrophobicContact CG2-CE1 3.81Å; I99-F413 HydrophobicContact CG2-CE2 3.51Å; I99-F413 HydrophobicContact CG2-CG 4.11Å; I99-F413 HydrophobicContact CG2-CZ 3.5Å; I99-F413 VanDerWaalsContact CG2-CZ 3.5Å
100	R	98.6	Very high	97.5	Very high	30 Å²	30	25.6 Å²	25.6	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-55.5	-46.4	176.1	176.9	-176.8	174.4	-165.8	-1	111	W74 F96 D97 L103 T104 I111 L156 P157	W74-R100 HydrophobicContact CH2-CB 4.26Å; W74-R100 HydrophobicContact CZ3-CB 4Å; F96-R100 VanDerWaalsContact O-CB 3.3Å; F96-R100 WeakPolarHBondContact O-CB 3.31Å; F96-R100 PolarHBondContact O-N 3.34Å; D97-R100 PolarHBondContact O-N 3Å; R100-L103 PolarHBondContact O-N 3.47Å; R100-T104 WeakPolarHBondContact O-CB 3.49Å; R100-T104 PolarHBondContact O-N 3.07Å; R100-T104 PolarHBondContact O-OG1 2.94Å; R100-I111 HydrophobicContact CB-CD1 4.23Å; R100-I111 HydrophobicContact CG-CB 4.45Å; R100-I111 HydrophobicContact CG-CD1 3.71Å; R100-I111 HydrophobicContact CG-CG2 4.35Å; R100-L156 PolarHBondContact NH1-O 3.11Å; R100-P157 PolarHBondContact NH1-O 3.1Å; R100-P157 PolarHBondContact NH2-O 3.3Å
101	R	98.6	Very high	97.6	Very high	39 Å²	39	26 Å²	26	15%	0.147	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-41.7	178.2	-70.4	161.1	173.8	-86.5	7.7	112.2	D97 I98 I99 T104 K105 K154 L156 T462	D97-R101 WeakPolarHBondContact O-CB 3.48Å; D97-R101 WeakPolarHBondContact O-CD 3.29Å; D97-R101 WeakPolarHBondContact O-CG 3.4Å; D97-R101 PolarHBondContact O-N 3.45Å; D97-R101 IonicContact OD1-NE 2.8Å; D97-R101 PolarHBondContact OD1-NE 2.98Å; D97-R101 WeakPolarHBondContact OD2-CD 3.39Å; D97-R101 IonicContact OD2-CZ 2.79Å; D97-R101 IonicContact OD2-NE 3.76Å; D97-R101 PolarHBondContact OD2-NE 2.96Å; D97-R101 IonicContact OD2-NH2 3.47Å; I98-R101 PolarHBondContact O-N 3.47Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.05Å; R101-T104 PolarHBondContact O-N 3.42Å; R101-K105 WeakPolarHBondContact O-CB 3.4Å; R101-K105 WeakPolarHBondContact O-CG 3.4Å; R101-K105 PolarHBondContact O-N 3Å; R101-K154 PolarHBondContact NH2-O 3.4Å; R101-L156 HydrophobicContact CG-CD1 3.92Å; R101-T462 WeakPolarHBondContact CB-O 3.28Å; R101-T462 VanDerWaalsContact CD-O 3.24Å; R101-T462 WeakPolarHBondContact CD-O 3.34Å
102	I	98.6	Very high	97.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-51.1	175.6	-70.4	158.6	0	0	0	110.4	I98 I99 T104 K105 V106 F107 L409 F413 T415 V463	I98-I102 HydrophobicContact CG2-CD1 3.64Å; I98-I102 HydrophobicContact CG2-CG1 4.5Å; I98-I102 WeakPolarHBondContact O-CD1 3.44Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.42Å; I98-I102 PolarHBondContact O-N 2.97Å; I99-I102 PolarHBondContact O-N 3.05Å; I102-T104 VanDerWaalsContact C-N 3.27Å; I102-T104 PolarHBondContact O-N 3.29Å; I102-K105 PolarHBondContact O-N 3.49Å; I102-V106 HydrophobicContact CG2-CB 4.42Å; I102-V106 HydrophobicContact CG2-CG2 4.44Å; I102-V106 WeakPolarHBondContact O-CA 3.37Å; I102-V106 VanDerWaalsContact O-CB 3.22Å; I102-V106 WeakPolarHBondContact O-CB 3.44Å; I102-V106 PolarHBondContact O-N 2.91Å; I102-F107 HydrophobicContact CG2-CD2 3.85Å; I102-F107 HydrophobicContact CG2-CE2 3.61Å; I102-F107 PolarHBondContact O-N 2.93Å; I102-L409 HydrophobicContact CD1-CD2 3.64Å; I102-L409 HydrophobicContact CG1-CD2 4Å; I102-L409 HydrophobicContact CG2-CB 4.25Å; I102-L409 HydrophobicContact CG2-CD1 4.45Å; I102-L409 HydrophobicContact CG2-CD2 4.12Å; I102-F413 HydrophobicContact CB-CD1 4.45Å; I102-F413 HydrophobicContact CG2-CD1 3.92Å; I102-F413 HydrophobicContact CG2-CE1 4.25Å; I102-T415 HydrophobicContact CD1-CG2 4.25Å; I102-V463 HydrophobicContact CG1-CG1 4.45Å
103	L	98.4	Very high	97.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-39.8	178.1	-75.5	177.9	0	0	0	112.1	V51 L64 W74 I99 R100 F107 G108 C109 I111 I270 F413	V51-L103 HydrophobicContact CG2-CD2 4.06Å; L64-L103 HydrophobicContact CD2-CD1 4.13Å; L64-L103 HydrophobicContact CD2-CD2 3.57Å; W74-L103 HydrophobicContact CZ3-CD1 3.89Å; I99-L103 HydrophobicContact CG2-CD1 4.14Å; I99-L103 HydrophobicContact CG2-CG 4.45Å; I99-L103 PolarHBondContact O-N 2.62Å; R100-L103 PolarHBondContact O-N 3.47Å; L103-F107 HydrophobicContact CD2-CB 4.39Å; L103-F107 HydrophobicContact CD2-CD2 4.3Å; L103-F107 CarbonylContact O-C 3.56Å; L103-F107 PolarHBondContact O-N 3.16Å; L103-G108 PolarHBondContact O-N 3.32Å; L103-C109 HydrophobicContact CB-CB 4.4Å; L103-C109 PolarHBondContact O-N 2.96Å; L103-I111 HydrophobicContact CB-CD1 3.84Å; L103-I111 HydrophobicContact CD1-CD1 4.35Å; L103-I270 HydrophobicContact CD1-CD1 3.98Å; L103-F413 HydrophobicContact CD1-CE1 4.34Å; L103-F413 HydrophobicContact CD1-CZ 3.98Å; L103-F413 HydrophobicContact CD2-CE1 3.69Å; L103-F413 HydrophobicContact CD2-CZ 3.83Å; L103-F413 HydrophobicContact CG-CE1 3.73Å; L103-F413 HydrophobicContact CG-CZ 3.87Å
104	T	97.9	Very high	98	Very high	48 Å²	48	27 Å²	27	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-71.1	-51.4	179.5	-51.6	0	0	0	0	112.5	R100 R101 I102 C109	R100-T104 WeakPolarHBondContact O-CB 3.49Å; R100-T104 PolarHBondContact O-N 3.07Å; R100-T104 PolarHBondContact O-OG1 2.94Å; R101-T104 PolarHBondContact O-N 3.42Å; I102-T104 VanDerWaalsContact C-N 3.27Å; I102-T104 PolarHBondContact O-N 3.29Å; T104-C109 VanDerWaalsContact CA-O 3.27Å; T104-C109 WeakPolarHBondContact CA-O 3.15Å; T104-C109 PolarHBondContact OG1-O 3.43Å
105	K	97.4	Very high	98	Very high	156 Å²	156	27.4 Å²	27.4	68%	0.678	15%	0.146	S	C	*	.	H	α-helix	trans	-89.6	-24.6	-168.3	-60.9	-63.6	-174.4	178.4	0	113.8	R101 I102 T462	R101-K105 WeakPolarHBondContact O-CB 3.4Å; R101-K105 WeakPolarHBondContact O-CG 3.4Å; R101-K105 PolarHBondContact O-N 3Å; I102-K105 PolarHBondContact O-N 3.49Å; K105-T462 HydrophobicContact CB-CG2 3.77Å; K105-T462 HydrophobicContact CG-CG2 4.2Å
106	V	97.6	Very high	97.9	Very high	57 Å²	57	27.2 Å²	27.2	35%	0.345	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-40.8	-176.3	-174	0	0	0	0	111.7	I102 L409 T462	I102-V106 HydrophobicContact CG2-CB 4.42Å; I102-V106 HydrophobicContact CG2-CG2 4.44Å; I102-V106 WeakPolarHBondContact O-CA 3.37Å; I102-V106 VanDerWaalsContact O-CB 3.22Å; I102-V106 WeakPolarHBondContact O-CB 3.44Å; I102-V106 PolarHBondContact O-N 2.91Å; V106-L409 HydrophobicContact CG1-CD1 4.32Å; V106-L409 HydrophobicContact CG2-CD1 4.22Å; V106-T462 HydrophobicContact CG2-CG2 4.29Å
107	F	97.2	Very high	97.9	Very high	21 Å²	21	27.1 Å²	27.1	9%	0.092	15%	0.146	C	C	.	.	S	Bend	trans	-105.7	-4.3	-175.3	-61.2	-76.4	0	0	0	114.1	V51 I102 L103 L409 A410	V51-F107 HydrophobicContact CG2-CB 4.21Å; V51-F107 HydrophobicContact CG2-CD1 3.44Å; V51-F107 VanDerWaalsContact CG2-CD1 3.44Å; V51-F107 HydrophobicContact CG2-CD2 3.49Å; V51-F107 VanDerWaalsContact CG2-CD2 3.49Å; V51-F107 HydrophobicContact CG2-CE1 3.56Å; V51-F107 HydrophobicContact CG2-CE2 3.59Å; V51-F107 HydrophobicContact CG2-CG 3.42Å; V51-F107 VanDerWaalsContact CG2-CG 3.42Å; V51-F107 HydrophobicContact CG2-CZ 3.65Å; I102-F107 HydrophobicContact CG2-CD2 3.85Å; I102-F107 HydrophobicContact CG2-CE2 3.61Å; I102-F107 PolarHBondContact O-N 2.93Å; L103-F107 HydrophobicContact CD2-CB 4.39Å; L103-F107 HydrophobicContact CD2-CD2 4.3Å; L103-F107 CarbonylContact O-C 3.56Å; L103-F107 PolarHBondContact O-N 3.16Å; F107-L409 HydrophobicContact CE2-CB 4.02Å; F107-L409 HydrophobicContact CZ-CB 4.08Å; F107-A410 HydrophobicContact CE1-CB 4.01Å; F107-A410 HydrophobicContact CZ-CB 3.85Å
108	G	95.9	Very high	97.8	Very high	37 Å²	37	27.2 Å²	27.2	38%	0.381	15%	0.146	S	C	.	.			trans	69.4	37.9	171	0	0	0	0	0	114	L103	L103-G108 PolarHBondContact O-N 3.32Å
109	C	96.8	Very high	97.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	15%	0.148	C	C	.	.			trans	-96.2	119.4	169.5	-58.1	0	0	0	0	110.1	T49 A69 L103 T104 I111	T49-C109 VanDerWaalsContact CG2-SG 3.56Å; A69-C109 CarbonylContact O-C 3.56Å; L103-C109 HydrophobicContact CB-CB 4.4Å; L103-C109 PolarHBondContact O-N 2.96Å; T104-C109 VanDerWaalsContact CA-O 3.27Å; T104-C109 WeakPolarHBondContact CA-O 3.15Å; T104-C109 PolarHBondContact OG1-O 3.43Å; C109-I111 HydrophobicContact CB-CG1 4.36Å; C109-I111 PolarHBondContact O-N 3.28Å
110	N	96.4	Very high	97.5	Very high	87 Å²	87	28 Å²	28	47%	0.465	15%	0.151	S	C	.	.			trans	-81.5	110.2	169.1	-177	27.8	0	0	0	109.2	A69 E70 A71 T72	A69-N110 PolarHBondContact O-N 3.45Å; E70-N110 WeakPolarHBondContact O-CB 3.44Å; E70-N110 PolarHBondContact O-ND2 2.87Å; A71-N110 CarbonylContact C-O 3.18Å; A71-N110 WeakPolarHBondContact CA-O 3.27Å; T72-N110 PolarHBondContact N-O 3.4Å
111	I	97.8	Very high	97.3	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	-169.7	-66.9	167.2	0	0	0	110.7	W74 R100 L103 C109 M113	W74-I111 HydrophobicContact CB-CG2 3.83Å; W74-I111 HydrophobicContact CD2-CG2 4.42Å; W74-I111 HydrophobicContact CE3-CD1 3.82Å; W74-I111 HydrophobicContact CE3-CG1 4.39Å; W74-I111 HydrophobicContact CE3-CG2 3.87Å; W74-I111 HydrophobicContact CG-CG2 4.46Å; W74-I111 HydrophobicContact CZ3-CD1 3.84Å; R100-I111 HydrophobicContact CB-CD1 4.23Å; R100-I111 HydrophobicContact CG-CB 4.45Å; R100-I111 HydrophobicContact CG-CD1 3.71Å; R100-I111 HydrophobicContact CG-CG2 4.35Å; L103-I111 HydrophobicContact CB-CD1 3.84Å; L103-I111 HydrophobicContact CD1-CD1 4.35Å; C109-I111 HydrophobicContact CB-CG1 4.36Å; C109-I111 PolarHBondContact O-N 3.28Å; I111-M113 HydrophobicContact CG2-CB 4.06Å
112	V	98.1	Very high	97	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.261	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	98.4	166.3	-177.9	0	0	0	0	107.5	A71 T72 W74 T159 F264	A71-V112 HydrophobicContact CB-CG2 4.22Å; T72-V112 PolarHBondContact O-N 3.31Å; W74-V112 PolarHBondContact N-O 2.94Å; V112-T159 HydrophobicContact CG1-CG2 4.33Å; V112-F264 HydrophobicContact CB-CE1 4.42Å; V112-F264 HydrophobicContact CG1-CE1 4.04Å; V112-F264 HydrophobicContact CG1-CZ 4.31Å; V112-F264 WeakPolarHBondContact O-CZ 3.45Å
113	M	98.4	Very high	96.7	Very high	13 Å²	13	33.6 Å²	33.6	6%	0.064	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.8	-177	-168.1	176.4	-168.4	0	0	110.8	W74 I111 P158 T159 V160	W74-M113 HydrophobicContact CB-CG 4.46Å; W74-M113 HydrophobicContact CG-CG 4.42Å; W74-M113 CarbonylContact O-C 3.4Å; W74-M113 VanDerWaalsContact O-CA 3.25Å; W74-M113 WeakPolarHBondContact O-CA 3.48Å; I111-M113 HydrophobicContact CG2-CB 4.06Å; M113-P158 HydrophobicContact CB-CB 4.28Å; M113-P158 HydrophobicContact CG-CB 4.15Å; M113-P158 WeakPolarHBondContact O-CB 3.41Å; M113-T159 PolarHBondContact N-OG1 3.26Å; M113-T159 WeakPolarHBondContact O-CA 3.29Å; M113-T159 VanDerWaalsContact O-CB 3.28Å; M113-T159 WeakPolarHBondContact O-CB 3.5Å; M113-T159 PolarHBondContact O-N 3.02Å; M113-V160 PolarHBondContact O-N 3.33Å
114	V	98.4	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.6	173.1	175.8	0	0	0	0	108.8	W74 Y75 S76 V160 L162 I259 V263 F264	W74-V114 PolarHBondContact O-N 3.16Å; Y75-V114 HydrophobicContact CD2-CB 3.95Å; Y75-V114 HydrophobicContact CD2-CG1 3.8Å; Y75-V114 HydrophobicContact CE2-CB 4.45Å; Y75-V114 HydrophobicContact CE2-CG1 3.81Å; S76-V114 PolarHBondContact N-O 3.17Å; V114-V160 HydrophobicContact CB-CG1 4.24Å; V114-V160 HydrophobicContact CG1-CG1 4.13Å; V114-V160 HydrophobicContact CG2-CG1 3.68Å; V114-L162 HydrophobicContact CG1-CD1 3.86Å; V114-L162 HydrophobicContact CG1-CG 4.45Å; V114-I259 HydrophobicContact CG1-CG2 4.27Å; V114-V263 HydrophobicContact CG1-CG2 4.48Å; V114-V263 HydrophobicContact CG2-CB 4.19Å; V114-V263 HydrophobicContact CG2-CG1 3.77Å; V114-V263 HydrophobicContact CG2-CG2 4.2Å; V114-F264 HydrophobicContact CB-CE2 3.89Å; V114-F264 HydrophobicContact CB-CZ 4.11Å; V114-F264 HydrophobicContact CG2-CE1 4.33Å; V114-F264 HydrophobicContact CG2-CE2 3.59Å; V114-F264 HydrophobicContact CG2-CZ 3.4Å; V114-F264 VanDerWaalsContact CG2-CZ 3.4Å
115	M	98.4	Very high	96.4	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.044	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.6	172.2	-174.3	178.7	-70.1	0	0	110.8	S76 Y93 I117 F146 P158 V160 Y161 L162	S76-M115 WeakPolarHBondContact O-CA 3.39Å; Y93-M115 HydrophobicContact CD1-CE 3.99Å; Y93-M115 HydrophobicContact CE1-CE 3.76Å; Y93-M115 HydrophobicContact CE1-SD 4.41Å; M115-I117 HydrophobicContact CG-CD1 4.48Å; M115-I117 HydrophobicContact SD-CD1 4.4Å; M115-F146 HydrophobicContact SD-CE1 3.88Å; M115-F146 HydrophobicContact SD-CZ 4.04Å; M115-P158 HydrophobicContact CB-CB 4.08Å; M115-P158 HydrophobicContact CB-CG 3.87Å; M115-V160 PolarHBondContact N-O 3.33Å; M115-Y161 HydrophobicContact CB-CD1 4.12Å; M115-Y161 HydrophobicContact CB-CE1 4.38Å; M115-Y161 HydrophobicContact CG-CD1 4.38Å; M115-Y161 HydrophobicContact CG-CE1 4.46Å; M115-Y161 WeakPolarHBondContact O-CA 3.22Å; M115-Y161 HydrophobicContact SD-CD1 4.17Å; M115-Y161 HydrophobicContact SD-CE1 3.69Å; M115-L162 PolarHBondContact O-N 2.72Å
116	G	96.5	Very high	96.2	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.2	170.1	0	0	0	0	0	111.3	G78 L162	G78-G116 WeakPolarHBondContact CA-O 3.31Å; G78-G116 PolarHBondContact N-O 3.31Å; G78-G116 VanDerWaalsContact N-O 3.13Å; G116-L162 CarbonylContact C-O 3.16Å; G116-L162 WeakPolarHBondContact CA-O 3.43Å
117	I	97.9	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111	171.1	-60	-57.3	0	0	0	108.3	P79 V81 M115 D119 E143 F146 Y161 L162 R163 V164	P79-I117 HydrophobicContact CG-CD1 4.14Å; V81-I117 HydrophobicContact CG1-CG2 3.83Å; V81-I117 HydrophobicContact CG2-CG2 4.03Å; M115-I117 HydrophobicContact CG-CD1 4.48Å; M115-I117 HydrophobicContact SD-CD1 4.4Å; I117-D119 HydrophobicContact CG2-CB 4.37Å; I117-D119 PolarHBondContact O-N 2.63Å; I117-E143 HydrophobicContact CG1-CG 4.48Å; I117-E143 HydrophobicContact CG2-CB 4.47Å; I117-E143 HydrophobicContact CG2-CG 4.05Å; I117-F146 HydrophobicContact CD1-CE1 4.45Å; I117-Y161 HydrophobicContact CD1-CD1 3.74Å; I117-Y161 HydrophobicContact CD1-CE1 4.22Å; I117-Y161 HydrophobicContact CG1-CD1 3.96Å; I117-L162 PolarHBondContact N-O 2.66Å; I117-R163 HydrophobicContact CB-CG 4.36Å; I117-V164 WeakPolarHBondContact O-CG2 3.35Å; I117-V164 PolarHBondContact O-N 3.45Å
118	T	97.5	Very high	95.9	Very high	6 Å²	6	31 Å²	31	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	92.5	174.5	-48.5	0	0	0	0	109.1	P79 T80 V81 D121 I124 E255	P79-T118 PolarHBondContact O-N 2.94Å; T80-T118 HydrophobicContact CG2-CG2 4Å; V81-T118 WeakPolarHBondContact CG2-O 3.28Å; V81-T118 PolarHBondContact N-O 3.49Å; T118-D121 HydrophobicContact CG2-CB 4.08Å; T118-I124 VanDerWaalsContact O-CD1 3.24Å; T118-I124 WeakPolarHBondContact O-CD1 3.33Å; T118-E255 WeakPolarHBondContact CB-OE1 3.39Å; T118-E255 WeakPolarHBondContact CG2-OE1 3.3Å; T118-E255 PolarHBondContact OG1-OE1 2.77Å
119	D	97	Very high	95.8	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	17%	0.168	C	C	.	.			trans	-101.2	5.7	-179.4	68.5	-35.4	0	0	0	113.6	V81 I117 A139 V164 T165	V81-D119 HydrophobicContact CG2-CB 4.01Å; I117-D119 HydrophobicContact CG2-CB 4.37Å; I117-D119 PolarHBondContact O-N 2.63Å; D119-A139 HydrophobicContact CB-CB 3.88Å; D119-V164 WeakPolarHBondContact OD1-CA 3.42Å; D119-V164 WeakPolarHBondContact OD1-CB 3.49Å; D119-V164 PolarHBondContact OD1-N 3.25Å; D119-T165 PolarHBondContact OD1-N 3.2Å; D119-T165 WeakPolarHBondContact OD2-CB 3.3Å; D119-T165 VanDerWaalsContact OD2-CG2 3.22Å; D119-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D119-T165 PolarHBondContact OD2-OG1 2.99Å
120	V	95	Very high	95.7	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.079	19%	0.191	C	C	.	.	S	Bend	trans	-139.6	121.4	166.9	55.6	0	0	0	0	110.3	V164 T165 W241	V120-V164 HydrophobicContact CG1-CB 4.06Å; V120-V164 HydrophobicContact CG1-CG1 3.68Å; V120-T165 HydrophobicContact CB-CG2 3.96Å; V120-T165 HydrophobicContact CG1-CG2 3.87Å; V120-W241 HydrophobicContact CB-CH2 4.12Å; V120-W241 HydrophobicContact CG1-CH2 4.18Å; V120-W241 HydrophobicContact CG1-CZ3 4.47Å; V120-W241 HydrophobicContact CG2-CH2 3.89Å; V120-W241 HydrophobicContact CG2-CZ3 3.91Å
121	D	93.8	Very high	95.6	Very high	16 Å²	16	38.3 Å²	38.3	9%	0.086	19%	0.185	C	C	.	.	S	Bend	trans	-161.8	163.8	177.8	178.5	56.4	0	0	0	110.5	T80 T118 K123 I124 I125	T80-D121 HydrophobicContact CG2-CB 3.81Å; T118-D121 HydrophobicContact CG2-CB 4.08Å; D121-K123 PolarHBondContact O-N 3.29Å; D121-K123 VanDerWaalsContact OD2-CB 3.26Å; D121-K123 WeakPolarHBondContact OD2-CB 3.35Å; D121-K123 VanDerWaalsContact OD2-CG 3.31Å; D121-K123 WeakPolarHBondContact OD2-CG 3.31Å; D121-K123 PolarHBondContact OD2-N 3Å; D121-I124 HydrophobicContact CB-CD1 4.36Å; D121-I124 HydrophobicContact CB-CG1 4.39Å; D121-I124 PolarHBondContact O-N 3.49Å; D121-I124 VanDerWaalsContact O-N 3.1Å; D121-I125 WeakPolarHBondContact O-CG1 3.11Å; D121-I125 PolarHBondContact O-N 3.14Å
122	D	91.9	Very high	95.4	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-51.7	-40.4	173	-64	-13.9	0	0	0	111.5	K126 K232 R249	D122-K126 VanDerWaalsContact O-CB 3.26Å; D122-K126 WeakPolarHBondContact O-CB 3.38Å; D122-K126 PolarHBondContact O-N 3.23Å; D122-K232 IonicContact OD1-NZ 3.86Å; D122-K232 IonicContact OD2-NZ 2.88Å; D122-K232 PolarHBondContact OD2-NZ 3.33Å; D122-R249 IonicContact OD1-CZ 2.7Å; D122-R249 IonicContact OD1-NH1 3.25Å; D122-R249 PolarHBondContact OD1-NH1 3.07Å; D122-R249 IonicContact OD1-NH2 3.42Å; D122-R249 PolarHBondContact OD1-NH2 3.34Å
123	K	93.3	Very high	95.3	Very high	103 Å²	103	46.2 Å²	46.2	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-68.9	-37.8	179.4	-65	174	-176.3	170.3	0	112.6	Y82 D121 R127	Y82-K123 HydrophobicContact CD1-CB 3.96Å; Y82-K123 HydrophobicContact CD1-CD 4.18Å; Y82-K123 HydrophobicContact CD2-CB 4.16Å; Y82-K123 HydrophobicContact CE1-CB 4.25Å; Y82-K123 HydrophobicContact CE1-CD 3.68Å; Y82-K123 HydrophobicContact CE2-CB 4.43Å; Y82-K123 HydrophobicContact CG-CB 3.9Å; D121-K123 PolarHBondContact O-N 3.29Å; D121-K123 VanDerWaalsContact OD2-CB 3.26Å; D121-K123 WeakPolarHBondContact OD2-CB 3.35Å; D121-K123 VanDerWaalsContact OD2-CG 3.31Å; D121-K123 WeakPolarHBondContact OD2-CG 3.31Å; D121-K123 PolarHBondContact OD2-N 3Å; K123-R127 WeakPolarHBondContact O-CB 3.43Å; K123-R127 PolarHBondContact O-N 3.11Å
124	I	95.2	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-49.6	177.4	-67.2	174.3	0	0	0	109.3	T80 V81 T118 D121 K126 R127 A128 P135 L138 A139	T80-I124 HydrophobicContact CG2-CD1 3.99Å; T80-I124 HydrophobicContact CG2-CG1 4.07Å; V81-I124 HydrophobicContact CG2-CD1 4.2Å; T118-I124 VanDerWaalsContact O-CD1 3.24Å; T118-I124 WeakPolarHBondContact O-CD1 3.33Å; D121-I124 HydrophobicContact CB-CD1 4.36Å; D121-I124 HydrophobicContact CB-CG1 4.39Å; D121-I124 PolarHBondContact O-N 3.49Å; D121-I124 VanDerWaalsContact O-N 3.1Å; I124-K126 PolarHBondContact O-N 3.31Å; I124-R127 PolarHBondContact O-N 3.21Å; I124-A128 WeakPolarHBondContact O-CB 3.24Å; I124-A128 PolarHBondContact O-N 3.47Å; I124-P135 HydrophobicContact CG2-CB 4.04Å; I124-L138 HydrophobicContact CG2-CD2 4.09Å; I124-L138 WeakPolarHBondContact O-CD2 3.31Å; I124-A139 HydrophobicContact CG2-CB 4.41Å
125	I	93.3	Very high	94.9	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-48.8	179.3	-65.2	167.2	0	0	0	110.2	D121 R127 A128 N129 E238	D121-I125 WeakPolarHBondContact O-CG1 3.11Å; D121-I125 PolarHBondContact O-N 3.14Å; I125-R127 PolarHBondContact O-N 2.96Å; I125-A128 PolarHBondContact O-N 2.93Å; I125-N129 VanDerWaalsContact O-CG 3.27Å; I125-N129 PolarHBondContact O-N 3.12Å; I125-N129 VanDerWaalsContact O-N 3.1Å; I125-N129 PolarHBondContact O-ND2 3.37Å; I125-E238 HydrophobicContact CD1-CG 4.42Å; I125-E238 HydrophobicContact CG2-CG 4.27Å
126	K	94	Very high	94.7	Very high	136 Å²	136	52 Å²	52	59%	0.591	27%	0.271	S	S	*	.	H	α-helix	trans	-58.1	-49.3	178.1	-178.8	-179.8	174.8	-176.4	0	111.6	D122 I124 N129 E130	D122-K126 VanDerWaalsContact O-CB 3.26Å; D122-K126 WeakPolarHBondContact O-CB 3.38Å; D122-K126 PolarHBondContact O-N 3.23Å; I124-K126 PolarHBondContact O-N 3.31Å; K126-N129 PolarHBondContact O-N 3.31Å; K126-E130 WeakPolarHBondContact CE-OE1 3.33Å; K126-E130 WeakPolarHBondContact O-CG 3.41Å; K126-E130 PolarHBondContact O-N 3.04Å
127	R	94.1	Very high	94.7	Very high	83 Å²	83	55.1 Å²	55.1	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-68.6	-36.3	-176.8	-176.8	56.6	174.9	169.6	5.3	112.7	Y82 K123 I124 I125 N129 E130 M131 L138	Y82-R127 WeakPolarHBondContact O-CG 3.4Å; K123-R127 WeakPolarHBondContact O-CB 3.43Å; K123-R127 PolarHBondContact O-N 3.11Å; I124-R127 PolarHBondContact O-N 3.21Å; I125-R127 PolarHBondContact O-N 2.96Å; R127-N129 VanDerWaalsContact C-N 3.32Å; R127-N129 PolarHBondContact O-N 3.05Å; R127-E130 VanDerWaalsContact CD-OE2 3.27Å; R127-E130 WeakPolarHBondContact CD-OE2 3.41Å; R127-E130 IonicContact CZ-OE2 3.92Å; R127-E130 IonicContact NH1-OE2 2.96Å; R127-E130 PolarHBondContact NH1-OE2 3.19Å; R127-E130 WeakPolarHBondContact O-CB 3.4Å; R127-E130 PolarHBondContact O-N 3.32Å; R127-M131 HydrophobicContact CG-SD 4.09Å; R127-M131 PolarHBondContact NE-SD 3.42Å; R127-M131 VanDerWaalsContact NE-SD 3.39Å; R127-M131 WeakPolarHBondContact O-CG 3.2Å; R127-M131 PolarHBondContact O-N 3.28Å; R127-L138 HydrophobicContact CB-CD2 3.81Å; R127-L138 HydrophobicContact CG-CD1 4.13Å; R127-L138 HydrophobicContact CG-CD2 3.87Å
128	A	94.1	Very high	94.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.9	0	0	0	0	0	111	I124 I125 M131 N132 I133 P135 L138	I124-A128 WeakPolarHBondContact O-CB 3.24Å; I124-A128 PolarHBondContact O-N 3.47Å; I125-A128 PolarHBondContact O-N 2.93Å; A128-M131 CarbonylContact O-C 3.59Å; A128-M131 PolarHBondContact O-N 3.43Å; A128-N132 PolarHBondContact O-N 3.34Å; A128-I133 CarbonylContact C-O 3.15Å; A128-I133 WeakPolarHBondContact CB-O 3.48Å; A128-I133 PolarHBondContact O-N 3.35Å; A128-I133 VanDerWaalsContact O-N 3.09Å; A128-P135 HydrophobicContact CB-CB 4.22Å; A128-P135 HydrophobicContact CB-CG 3.87Å; A128-L138 HydrophobicContact CB-CB 4.3Å; A128-L138 HydrophobicContact CB-CD2 4.07Å
129	N	93.6	Very high	94.6	Very high	106 Å²	106	54.9 Å²	54.9	57%	0.567	29%	0.291	S	S	*	.	H	α-helix	trans	-63.1	-43.3	173.9	-68.2	-17.4	0	0	0	112.1	I125 K126 R127 M131 N132	I125-N129 VanDerWaalsContact O-CG 3.27Å; I125-N129 PolarHBondContact O-N 3.12Å; I125-N129 VanDerWaalsContact O-N 3.1Å; I125-N129 PolarHBondContact O-ND2 3.37Å; K126-N129 PolarHBondContact O-N 3.31Å; R127-N129 VanDerWaalsContact C-N 3.32Å; R127-N129 PolarHBondContact O-N 3.05Å; N129-M131 PolarHBondContact O-N 2.92Å; N129-N132 PolarHBondContact O-N 2.87Å
130	E	94.6	Very high	94.6	Very high	106 Å²	106	57.2 Å²	57.2	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-33.3	175.1	-70.7	170.3	-174.9	0	0	112.7	K126 R127	K126-E130 WeakPolarHBondContact CE-OE1 3.33Å; K126-E130 WeakPolarHBondContact O-CG 3.41Å; K126-E130 PolarHBondContact O-N 3.04Å; R127-E130 VanDerWaalsContact CD-OE2 3.27Å; R127-E130 WeakPolarHBondContact CD-OE2 3.41Å; R127-E130 IonicContact CZ-OE2 3.92Å; R127-E130 IonicContact NH1-OE2 2.96Å; R127-E130 PolarHBondContact NH1-OE2 3.19Å; R127-E130 WeakPolarHBondContact O-CB 3.4Å; R127-E130 PolarHBondContact O-N 3.32Å
131	M	94	Very high	94.7	Very high	66 Å²	66	61.1 Å²	61.1	33%	0.325	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1	-178.1	-68.6	179.9	62.6	0	0	113.8	R127 A128 N129 I133 L138	R127-M131 HydrophobicContact CG-SD 4.09Å; R127-M131 PolarHBondContact NE-SD 3.42Å; R127-M131 VanDerWaalsContact NE-SD 3.39Å; R127-M131 WeakPolarHBondContact O-CG 3.2Å; R127-M131 PolarHBondContact O-N 3.28Å; A128-M131 CarbonylContact O-C 3.59Å; A128-M131 PolarHBondContact O-N 3.43Å; N129-M131 PolarHBondContact O-N 2.92Å; M131-I133 VanDerWaalsContact C-N 3.26Å; M131-I133 HydrophobicContact CB-CD1 4.44Å; M131-I133 HydrophobicContact CB-CG1 3.95Å; M131-I133 HydrophobicContact CE-CD1 4.24Å; M131-I133 PolarHBondContact O-N 3.47Å; M131-L138 HydrophobicContact CE-CD1 4.15Å; M131-L138 HydrophobicContact SD-CD1 3.5Å; M131-L138 VanDerWaalsContact SD-CD1 3.5Å
132	N	94.6	Very high	94.9	Very high	152 Å²	152	61.1 Å²	61.1	81%	0.813	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	41.2	-174.3	-61.9	-57	0	0	0	113.7	A128 N129	A128-N132 PolarHBondContact O-N 3.34Å; N129-N132 PolarHBondContact O-N 2.87Å
133	I	95	Very high	95.2	Very high	65 Å²	65	58.1 Å²	58.1	33%	0.333	31%	0.311	S	S	.	.	S	Bend	trans	-127.8	165.3	173.9	60.3	168.2	0	0	0	110.8	A128 M131 L138	A128-I133 CarbonylContact C-O 3.15Å; A128-I133 WeakPolarHBondContact CB-O 3.48Å; A128-I133 PolarHBondContact O-N 3.35Å; A128-I133 VanDerWaalsContact O-N 3.09Å; M131-I133 VanDerWaalsContact C-N 3.26Å; M131-I133 HydrophobicContact CB-CD1 4.44Å; M131-I133 HydrophobicContact CB-CG1 3.95Å; M131-I133 HydrophobicContact CE-CD1 4.24Å; M131-I133 PolarHBondContact O-N 3.47Å; I133-L138 HydrophobicContact CD1-CB 3.86Å; I133-L138 HydrophobicContact CD1-CD1 3.69Å; I133-L138 HydrophobicContact CD1-CG 4.41Å; I133-L138 HydrophobicContact CG1-CB 4.35Å; I133-L138 HydrophobicContact CG1-CD1 4.32Å
134	S	94.9	Very high	95.5	Very high	53 Å²	53	57.6 Å²	57.6	37%	0.371	31%	0.31	S	S	.	.			trans	-69.8	145.2	178.1	88.1	0	0	0	0	111.5	A136 S137 L138	S134-A136 VanDerWaalsContact C-N 3.25Å; S134-A136 PolarHBondContact O-N 2.87Å; S134-S137 PolarHBondContact O-N 3.45Å; S134-S137 VanDerWaalsContact O-N 3.14Å; S134-S137 WeakPolarHBondContact OG-CB 3.32Å; S134-S137 PolarHBondContact OG-N 3.39Å; S134-S137 PolarHBondContact OG-OG 2.93Å; S134-L138 PolarHBondContact O-N 3.33Å
135	P	95.1	Very high	95.6	Very high	26 Å²	26	58.3 Å²	58.3	17%	0.169	31%	0.314	C	S	.	.	H	α-helix	trans	-53.8	-39.5	173.7	-29.8	36.7	0	0	0	113.8	I124 A128 L138 A139 V239	I124-P135 HydrophobicContact CG2-CB 4.04Å; A128-P135 HydrophobicContact CB-CB 4.22Å; A128-P135 HydrophobicContact CB-CG 3.87Å; P135-L138 PolarHBondContact O-N 3.3Å; P135-A139 WeakPolarHBondContact O-CB 3.21Å; P135-A139 PolarHBondContact O-N 3.32Å; P135-V239 HydrophobicContact CB-CG2 4.44Å; P135-V239 HydrophobicContact CG-CG2 4.07Å
136	A	94.1	Very high	95.8	Very high	65 Å²	65	58 Å²	58	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-40.3	178.3	0	0	0	0	0	112.4	S134 S140	S134-A136 VanDerWaalsContact C-N 3.25Å; S134-A136 PolarHBondContact O-N 2.87Å; A136-S140 WeakPolarHBondContact O-CB 3.41Å; A136-S140 PolarHBondContact O-N 3.31Å; A136-S140 PolarHBondContact O-OG 2.83Å
137	S	96.2	Very high	96	Very high	69 Å²	69	54.1 Å²	54.1	48%	0.483	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-43	175.9	-57.1	0	0	0	0	111.6	S134 L141	S134-S137 PolarHBondContact O-N 3.45Å; S134-S137 VanDerWaalsContact O-N 3.14Å; S134-S137 WeakPolarHBondContact OG-CB 3.32Å; S134-S137 PolarHBondContact OG-N 3.39Å; S134-S137 PolarHBondContact OG-OG 2.93Å; S137-L141 WeakPolarHBondContact O-CB 3.46Å; S137-L141 PolarHBondContact O-N 3.04Å
138	L	96.6	Very high	96.2	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-49.2	175.4	-174.4	86.7	0	0	0	110.9	I124 R127 A128 M131 I133 S134 P135 L141 Y142	I124-L138 HydrophobicContact CG2-CD2 4.09Å; I124-L138 WeakPolarHBondContact O-CD2 3.31Å; R127-L138 HydrophobicContact CB-CD2 3.81Å; R127-L138 HydrophobicContact CG-CD1 4.13Å; R127-L138 HydrophobicContact CG-CD2 3.87Å; A128-L138 HydrophobicContact CB-CB 4.3Å; A128-L138 HydrophobicContact CB-CD2 4.07Å; M131-L138 HydrophobicContact CE-CD1 4.15Å; M131-L138 HydrophobicContact SD-CD1 3.5Å; M131-L138 VanDerWaalsContact SD-CD1 3.5Å; I133-L138 HydrophobicContact CD1-CB 3.86Å; I133-L138 HydrophobicContact CD1-CD1 3.69Å; I133-L138 HydrophobicContact CD1-CG 4.41Å; I133-L138 HydrophobicContact CG1-CB 4.35Å; I133-L138 HydrophobicContact CG1-CD1 4.32Å; S134-L138 PolarHBondContact O-N 3.33Å; P135-L138 PolarHBondContact O-N 3.3Å; L138-L141 PolarHBondContact O-N 2.97Å; L138-Y142 HydrophobicContact CD1-CD2 4.02Å; L138-Y142 HydrophobicContact CD1-CE2 3.59Å; L138-Y142 HydrophobicContact CG-CD2 3.95Å; L138-Y142 HydrophobicContact CG-CE2 4.04Å; L138-Y142 WeakPolarHBondContact O-CD2 3.37Å; L138-Y142 PolarHBondContact O-N 2.74Å
139	A	97.3	Very high	96.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-45.9	-179.1	0	0	0	0	0	112	V81 D119 I124 P135 L141 Y142 E143	V81-A139 HydrophobicContact CG2-CB 3.68Å; V81-A139 WeakPolarHBondContact CG2-O 3.5Å; V81-A139 WeakPolarHBondContact O-CA 3.45Å; D119-A139 HydrophobicContact CB-CB 3.88Å; I124-A139 HydrophobicContact CG2-CB 4.41Å; P135-A139 WeakPolarHBondContact O-CB 3.21Å; P135-A139 PolarHBondContact O-N 3.32Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 2.87Å; A139-Y142 PolarHBondContact O-N 2.66Å; A139-E143 VanDerWaalsContact O-CB 3.27Å; A139-E143 WeakPolarHBondContact O-CB 3.38Å; A139-E143 PolarHBondContact O-N 2.87Å
140	S	97	Very high	96.6	Very high	62 Å²	62	50.5 Å²	50.5	43%	0.434	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-41	177.3	-59.1	0	0	0	0	112	A136 E144	A136-S140 WeakPolarHBondContact O-CB 3.41Å; A136-S140 PolarHBondContact O-N 3.31Å; A136-S140 PolarHBondContact O-OG 2.83Å; S140-E144 PolarHBondContact O-N 2.9Å
141	L	97	Very high	96.8	Very high	96 Å²	96	48.6 Å²	48.6	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-52.7	177.4	175	66.4	0	0	0	111.1	S137 L138 A139 E144 D145	S137-L141 WeakPolarHBondContact O-CB 3.46Å; S137-L141 PolarHBondContact O-N 3.04Å; L138-L141 PolarHBondContact O-N 2.97Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 2.87Å; L141-E144 PolarHBondContact O-N 2.81Å; L141-D145 WeakPolarHBondContact O-CB 3.43Å; L141-D145 PolarHBondContact O-N 3.15Å
142	Y	97.8	Very high	97	Very high	15 Å²	15	47.5 Å²	47.5	6%	0.059	28%	0.283	C	S	.	.	H	α-helix	trans	-77.5	-20.2	-176.2	-74.6	-63.6	0	0	0	114.1	Y82 H84 L138 A139 D145 F146	Y82-Y142 VanDerWaalsContact C-CD2 3.46Å; Y82-Y142 WeakPolarHBondContact O-CE2 3.25Å; H84-Y142 AromaticContact CD2-CE1 3.91Å; H84-Y142 AromaticContact CE1-CE1 3.66Å; H84-Y142 AromaticContact CG-CE1 3.88Å; H84-Y142 AromaticContact ND1-CE1 3.73Å; H84-Y142 AromaticContact NE2-CE1 3.78Å; L138-Y142 HydrophobicContact CD1-CD2 4.02Å; L138-Y142 HydrophobicContact CD1-CE2 3.59Å; L138-Y142 HydrophobicContact CG-CD2 3.95Å; L138-Y142 HydrophobicContact CG-CE2 4.04Å; L138-Y142 WeakPolarHBondContact O-CD2 3.37Å; L138-Y142 PolarHBondContact O-N 2.74Å; A139-Y142 PolarHBondContact O-N 2.66Å; Y142-D145 HydrophobicContact CD1-CB 4.35Å; Y142-F146 VanDerWaalsContact O-CB 3.25Å; Y142-F146 WeakPolarHBondContact O-CB 3.46Å; Y142-F146 PolarHBondContact O-N 3.41Å
143	E	98.3	Very high	97.1	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.023	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-48.4	167.9	-177.7	-167.3	165.1	0	0	111.1	V81 I117 A139 D145 F146 K147 R163	V81-E143 HydrophobicContact CB-CB 4.43Å; V81-E143 HydrophobicContact CG1-CB 3.97Å; I117-E143 HydrophobicContact CG1-CG 4.48Å; I117-E143 HydrophobicContact CG2-CB 4.47Å; I117-E143 HydrophobicContact CG2-CG 4.05Å; A139-E143 VanDerWaalsContact O-CB 3.27Å; A139-E143 WeakPolarHBondContact O-CB 3.38Å; A139-E143 PolarHBondContact O-N 2.87Å; E143-D145 VanDerWaalsContact C-N 3.32Å; E143-F146 WeakPolarHBondContact O-CB 3.42Å; E143-F146 PolarHBondContact O-N 3.37Å; E143-K147 WeakPolarHBondContact O-CG 3.39Å; E143-K147 PolarHBondContact O-N 3.46Å; E143-K147 VanDerWaalsContact OE1-CE 3.26Å; E143-K147 WeakPolarHBondContact OE1-CE 3.47Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.29Å; E143-R163 IonicContact OE1-CZ 2.67Å; E143-R163 IonicContact OE1-NE 2.84Å; E143-R163 PolarHBondContact OE1-NE 2.81Å; E143-R163 IonicContact OE1-NH2 2.64Å; E143-R163 PolarHBondContact OE1-NH2 3.26Å; E143-R163 IonicContact OE2-CZ 3.8Å; E143-R163 IonicContact OE2-NE 3.23Å; E143-R163 PolarHBondContact OE2-NE 2.84Å; E143-R163 IonicContact OE2-NH2 2.7Å; E143-R163 PolarHBondContact OE2-NH2 2.74Å
144	E	98	Very high	97.3	Very high	92 Å²	92	40 Å²	40	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-41.4	177.9	-175.9	53	-145	0	0	110.9	S140 L141 F146 K147 Q148	S140-E144 PolarHBondContact O-N 2.9Å; L141-E144 PolarHBondContact O-N 2.81Å; E144-F146 VanDerWaalsContact C-N 3.32Å; E144-F146 PolarHBondContact O-N 2.65Å; E144-K147 PolarHBondContact O-N 3.35Å; E144-Q148 WeakPolarHBondContact O-CG 3.31Å; E144-Q148 PolarHBondContact O-N 3.3Å; E144-Q148 PolarHBondContact OE1-NE2 3.27Å
145	D	97.6	Very high	97.5	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.08	23%	0.229	C	C	.	.	H	α-helix	trans	-54.7	-47.1	172	-162.4	70.8	0	0	0	112.5	H84 L141 Y142 E143 Q148 D149 K328	H84-D145 IonicContact CE1-OD1 3.21Å; H84-D145 IonicContact CE1-OD2 3.41Å; H84-D145 IonicContact CG-OD2 3.04Å; H84-D145 IonicContact ND1-OD1 2.64Å; H84-D145 IonicContact ND1-OD2 3.57Å; H84-D145 PolarHBondContact ND1-OD2 2.84Å; L141-D145 WeakPolarHBondContact O-CB 3.43Å; L141-D145 PolarHBondContact O-N 3.15Å; Y142-D145 HydrophobicContact CD1-CB 4.35Å; E143-D145 VanDerWaalsContact C-N 3.32Å; D145-Q148 PolarHBondContact O-N 3.47Å; D145-D149 PolarHBondContact O-N 3.48Å; D145-K328 IonicContact OD1-NZ 3.43Å; D145-K328 PolarHBondContact OD1-NZ 3.34Å; D145-K328 IonicContact OD2-NZ 2.71Å
146	F	98.3	Very high	97.6	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-44.5	176.7	167.9	-104.9	0	0	0	112	P79 A85 Y93 M115 I117 Y142 E143 E144 Q148 D149 M150 Y161	P79-F146 HydrophobicContact CB-CD2 4.33Å; P79-F146 HydrophobicContact CB-CE2 4.43Å; P79-F146 HydrophobicContact CG-CB 4.41Å; P79-F146 HydrophobicContact CG-CD1 3.67Å; P79-F146 HydrophobicContact CG-CD2 3.86Å; P79-F146 HydrophobicContact CG-CE1 3.77Å; P79-F146 HydrophobicContact CG-CE2 3.97Å; P79-F146 HydrophobicContact CG-CG 3.7Å; P79-F146 HydrophobicContact CG-CZ 3.92Å; A85-F146 HydrophobicContact CB-CD2 4.22Å; Y93-F146 AromaticContact CD2-CE2 3.83Å; Y93-F146 HydrophobicContact CD2-CE2 3.83Å; Y93-F146 HydrophobicContact CD2-CZ 4.16Å; Y93-F146 HydrophobicContact CE1-CZ 4.3Å; Y93-F146 AromaticContact CE2-CE2 3.42Å; Y93-F146 HydrophobicContact CE2-CE2 3.42Å; Y93-F146 VanDerWaalsContact CE2-CE2 3.42Å; Y93-F146 AromaticContact CE2-CZ 3.75Å; Y93-F146 HydrophobicContact CE2-CZ 3.75Å; Y93-F146 AromaticContact CZ-CE2 3.96Å; Y93-F146 AromaticContact CZ-CZ 3.83Å; M115-F146 HydrophobicContact SD-CE1 3.88Å; M115-F146 HydrophobicContact SD-CZ 4.04Å; I117-F146 HydrophobicContact CD1-CE1 4.45Å; Y142-F146 VanDerWaalsContact O-CB 3.25Å; Y142-F146 WeakPolarHBondContact O-CB 3.46Å; Y142-F146 PolarHBondContact O-N 3.41Å; E143-F146 WeakPolarHBondContact O-CB 3.42Å; E143-F146 PolarHBondContact O-N 3.37Å; E144-F146 VanDerWaalsContact C-N 3.32Å; E144-F146 PolarHBondContact O-N 2.65Å; F146-Q148 VanDerWaalsContact C-N 3.32Å; F146-Q148 PolarHBondContact O-N 2.94Å; F146-D149 PolarHBondContact O-N 3.14Å; F146-M150 HydrophobicContact CD1-CG 4.41Å; F146-M150 HydrophobicContact CD2-CE 4.09Å; F146-M150 HydrophobicContact CD2-CG 4.07Å; F146-M150 HydrophobicContact CD2-SD 4.48Å; F146-M150 HydrophobicContact CE1-CG 3.98Å; F146-M150 HydrophobicContact CE2-CE 3.75Å; F146-M150 HydrophobicContact CE2-CG 3.59Å; F146-M150 HydrophobicContact CE2-SD 3.69Å; F146-M150 HydrophobicContact CG-CG 4.47Å; F146-M150 HydrophobicContact CZ-CG 3.54Å; F146-M150 HydrophobicContact CZ-SD 3.94Å; F146-M150 VanDerWaalsContact O-CG 3.31Å; F146-M150 WeakPolarHBondContact O-CG 3.27Å; F146-M150 PolarHBondContact O-N 3.11Å; F146-Y161 HydrophobicContact CE1-CE1 4.25Å
147	K	98.3	Very high	97.8	Very high	54 Å²	54	41.2 Å²	41.2	24%	0.235	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-42.2	177.6	-71.7	172.8	-174.4	168	0	111.4	E143 E144 M150 A151 Y161	E143-K147 WeakPolarHBondContact O-CG 3.39Å; E143-K147 PolarHBondContact O-N 3.46Å; E143-K147 VanDerWaalsContact OE1-CE 3.26Å; E143-K147 WeakPolarHBondContact OE1-CE 3.47Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.29Å; E144-K147 PolarHBondContact O-N 3.35Å; K147-M150 PolarHBondContact O-N 2.93Å; K147-A151 WeakPolarHBondContact O-CB 3.46Å; K147-A151 PolarHBondContact O-N 3.33Å; K147-Y161 HydrophobicContact CD-CE2 4.4Å; K147-Y161 HydrophobicContact CG-CE2 4.32Å
148	Q	98.2	Very high	97.9	Very high	103 Å²	103	38.5 Å²	38.5	48%	0.481	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-43.9	176.6	-69.7	173.4	14.1	0	0	111.9	E144 D145 F146 M150 A151 A152	E144-Q148 WeakPolarHBondContact O-CG 3.31Å; E144-Q148 PolarHBondContact O-N 3.3Å; E144-Q148 PolarHBondContact OE1-NE2 3.27Å; D145-Q148 PolarHBondContact O-N 3.47Å; F146-Q148 VanDerWaalsContact C-N 3.32Å; F146-Q148 PolarHBondContact O-N 2.94Å; Q148-M150 PolarHBondContact O-N 3.03Å; Q148-A151 PolarHBondContact O-N 3.41Å; Q148-A152 WeakPolarHBondContact O-CB 3.49Å; Q148-A152 PolarHBondContact O-N 2.94Å
149	D	98.1	Very high	97.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-42.5	175.3	-82.5	-8.8	0	0	0	111.8	D145 F146 A152 L153 I327 K328	D145-D149 PolarHBondContact O-N 3.48Å; F146-D149 PolarHBondContact O-N 3.14Å; D149-A152 PolarHBondContact O-N 3.46Å; D149-L153 WeakPolarHBondContact O-CG 3.38Å; D149-L153 PolarHBondContact O-N 2.98Å; D149-L153 VanDerWaalsContact O-N 3.1Å; D149-I327 HydrophobicContact CB-CB 4.24Å; D149-I327 HydrophobicContact CB-CD1 3.79Å; D149-I327 HydrophobicContact CB-CG2 4.11Å; D149-K328 WeakPolarHBondContact OD1-CE 3.46Å; D149-K328 WeakPolarHBondContact OD1-CG 3.48Å
150	M	98.4	Very high	97.9	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-44.8	176.4	-69.9	-51	94.8	0	0	111.4	Y93 F146 K147 Q148 A152 L153 K154 V155 I327	Y93-M150 HydrophobicContact CD2-CE 4.17Å; Y93-M150 HydrophobicContact CD2-SD 3.67Å; Y93-M150 HydrophobicContact CG-SD 3.81Å; F146-M150 HydrophobicContact CD1-CG 4.41Å; F146-M150 HydrophobicContact CD2-CE 4.09Å; F146-M150 HydrophobicContact CD2-CG 4.07Å; F146-M150 HydrophobicContact CD2-SD 4.48Å; F146-M150 HydrophobicContact CE1-CG 3.98Å; F146-M150 HydrophobicContact CE2-CE 3.75Å; F146-M150 HydrophobicContact CE2-CG 3.59Å; F146-M150 HydrophobicContact CE2-SD 3.69Å; F146-M150 HydrophobicContact CG-CG 4.47Å; F146-M150 HydrophobicContact CZ-CG 3.54Å; F146-M150 HydrophobicContact CZ-SD 3.94Å; F146-M150 VanDerWaalsContact O-CG 3.31Å; F146-M150 WeakPolarHBondContact O-CG 3.27Å; F146-M150 PolarHBondContact O-N 3.11Å; K147-M150 PolarHBondContact O-N 2.93Å; Q148-M150 PolarHBondContact O-N 3.03Å; M150-A152 VanDerWaalsContact C-N 3.35Å; M150-A152 PolarHBondContact O-N 2.74Å; M150-L153 HydrophobicContact CE-CD1 4.2Å; M150-L153 CarbonylContact O-C 3.57Å; M150-L153 PolarHBondContact O-N 3.33Å; M150-K154 PolarHBondContact O-N 3.46Å; M150-V155 HydrophobicContact CB-CB 4.08Å; M150-V155 HydrophobicContact CB-CG1 4.32Å; M150-V155 WeakPolarHBondContact O-CB 3.14Å; M150-V155 PolarHBondContact O-N 2.78Å; M150-V155 HydrophobicContact SD-CB 4.44Å; M150-V155 HydrophobicContact SD-CG1 4.4Å; M150-V155 HydrophobicContact SD-CG2 4.28Å; M150-I327 HydrophobicContact CE-CD1 3.64Å
151	A	98.3	Very high	97.9	Very high	66 Å²	66	44.6 Å²	44.6	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-42.4	175.8	0	0	0	0	0	111.8	K147 Q148 L153 K154	K147-A151 WeakPolarHBondContact O-CB 3.46Å; K147-A151 PolarHBondContact O-N 3.33Å; Q148-A151 PolarHBondContact O-N 3.41Å; A151-L153 PolarHBondContact O-N 3.13Å; A151-K154 WeakPolarHBondContact O-CA 3.36Å; A151-K154 PolarHBondContact O-N 3.46Å
152	A	97.6	Very high	98	Very high	44 Å²	44	41.2 Å²	41.2	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-30.7	176.8	0	0	0	0	0	112.6	Q148 D149 M150 K154 L331 P336	Q148-A152 WeakPolarHBondContact O-CB 3.49Å; Q148-A152 PolarHBondContact O-N 2.94Å; D149-A152 PolarHBondContact O-N 3.46Å; M150-A152 VanDerWaalsContact C-N 3.35Å; M150-A152 PolarHBondContact O-N 2.74Å; A152-K154 VanDerWaalsContact C-N 3.29Å; A152-L331 HydrophobicContact CB-CD1 3.67Å; A152-P336 WeakPolarHBondContact O-CB 3.27Å; A152-P336 WeakPolarHBondContact O-CG 3.39Å
153	L	97.8	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	6.7	172.6	-67.1	174.2	0	0	0	114.3	A90 V94 D149 M150 A151 V155 I327 L331 P336 F339 R340	A90-L153 HydrophobicContact CB-CD1 3.54Å; V94-L153 HydrophobicContact CG2-CB 4.11Å; V94-L153 HydrophobicContact CG2-CD1 4.27Å; D149-L153 WeakPolarHBondContact O-CG 3.38Å; D149-L153 PolarHBondContact O-N 2.98Å; D149-L153 VanDerWaalsContact O-N 3.1Å; M150-L153 HydrophobicContact CE-CD1 4.2Å; M150-L153 CarbonylContact O-C 3.57Å; M150-L153 PolarHBondContact O-N 3.33Å; A151-L153 PolarHBondContact O-N 3.13Å; L153-V155 HydrophobicContact CB-CG2 4.24Å; L153-V155 PolarHBondContact O-N 2.98Å; L153-I327 HydrophobicContact CD1-CD1 3.81Å; L153-I327 HydrophobicContact CD1-CG1 4.17Å; L153-I327 HydrophobicContact CD1-CG2 3.77Å; L153-I327 HydrophobicContact CD2-CG2 4.16Å; L153-I327 HydrophobicContact CG-CG2 3.84Å; L153-L331 HydrophobicContact CD2-CD2 4.19Å; L153-P336 HydrophobicContact CD2-CB 4.39Å; L153-F339 HydrophobicContact CD2-CD1 3.98Å; L153-R340 PolarHBondContact O-NH1 3.48Å; L153-R340 VanDerWaalsContact O-NH1 3.13Å
154	K	98.2	Very high	97.9	Very high	60 Å²	60	43.6 Å²	43.6	26%	0.261	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	23.6	-178.3	-50.7	-179.9	178.3	179.1	0	113.9	R101 M150 A151 A152 D337 R340 G464 S466	R101-K154 PolarHBondContact NH2-O 3.4Å; M150-K154 PolarHBondContact O-N 3.46Å; A151-K154 WeakPolarHBondContact O-CA 3.36Å; A151-K154 PolarHBondContact O-N 3.46Å; A152-K154 VanDerWaalsContact C-N 3.29Å; K154-D337 IonicContact NZ-OD1 3.7Å; K154-D337 PolarHBondContact NZ-OD1 2.98Å; K154-D337 IonicContact NZ-OD2 3.39Å; K154-D337 PolarHBondContact NZ-OD2 3.32Å; K154-R340 PolarHBondContact O-NH1 2.9Å; K154-G464 WeakPolarHBondContact CD-O 3.4Å; K154-S466 PolarHBondContact NZ-OG 2.96Å
155	V	98.6	Very high	97.9	Very high	21 Å²	21	41.5 Å²	41.5	13%	0.127	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-71.7	129.5	172.8	171.5	0	0	0	0	108.4	V94 D97 M150 L153	V94-V155 HydrophobicContact CG2-CG2 3.74Å; D97-V155 HydrophobicContact CB-CB 4.46Å; D97-V155 HydrophobicContact CB-CG1 4.1Å; D97-V155 HydrophobicContact CB-CG2 4.27Å; M150-V155 HydrophobicContact CB-CB 4.08Å; M150-V155 HydrophobicContact CB-CG1 4.32Å; M150-V155 WeakPolarHBondContact O-CB 3.14Å; M150-V155 PolarHBondContact O-N 2.78Å; M150-V155 HydrophobicContact SD-CB 4.44Å; M150-V155 HydrophobicContact SD-CG1 4.4Å; M150-V155 HydrophobicContact SD-CG2 4.28Å; L153-V155 HydrophobicContact CB-CG2 4.24Å; L153-V155 PolarHBondContact O-N 2.98Å
156	L	97.9	Very high	97.9	Very high	67 Å²	67	45.8 Å²	45.8	35%	0.351	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-68.5	136.9	175.4	-64.5	175	0	0	0	109.8	D97 R100 R101	D97-L156 WeakPolarHBondContact OD1-CB 3.32Å; D97-L156 WeakPolarHBondContact OD1-CG 3.44Å; D97-L156 PolarHBondContact OD1-N 2.77Å; R100-L156 PolarHBondContact NH1-O 3.11Å; R101-L156 HydrophobicContact CG-CD1 3.92Å
157	P	98.1	Very high	97.8	Very high	80 Å²	80	46.1 Å²	46.1	52%	0.519	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-59.9	145.8	171.8	26.6	-33.6	0	0	0	110	R100 Y161	R100-P157 PolarHBondContact NH1-O 3.1Å; R100-P157 PolarHBondContact NH2-O 3.3Å; P157-Y161 HydrophobicContact CB-CE2 4.35Å
158	P	98.1	Very high	97.8	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.078	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59.8	163.9	167.3	31.3	-34.8	0	0	0	109.5	M113 M115 V160 Y161	M113-P158 HydrophobicContact CB-CB 4.28Å; M113-P158 HydrophobicContact CG-CB 4.15Å; M113-P158 WeakPolarHBondContact O-CB 3.41Å; M115-P158 HydrophobicContact CB-CB 4.08Å; M115-P158 HydrophobicContact CB-CG 3.87Å; P158-V160 PolarHBondContact O-N 3.24Å; P158-Y161 VanDerWaalsContact CD-CE2 3.48Å; P158-Y161 WeakPolarHBondContact CD-OH 3.3Å; P158-Y161 HydrophobicContact CG-CD1 3.68Å; P158-Y161 HydrophobicContact CG-CD2 3.89Å; P158-Y161 HydrophobicContact CG-CE1 3.44Å; P158-Y161 VanDerWaalsContact CG-CE1 3.44Å; P158-Y161 HydrophobicContact CG-CE2 3.66Å; P158-Y161 HydrophobicContact CG-CG 3.92Å; P158-Y161 VanDerWaalsContact CG-CZ 3.44Å
159	T	97.8	Very high	97.8	Very high	85 Å²	85	43.1 Å²	43.1	52%	0.521	25%	0.248	S	C	.	.	S	Bend	trans	-59.5	-36.2	174	-52.3	0	0	0	0	110.8	V112 M113	V112-T159 HydrophobicContact CG1-CG2 4.33Å; M113-T159 PolarHBondContact N-OG1 3.26Å; M113-T159 WeakPolarHBondContact O-CA 3.29Å; M113-T159 VanDerWaalsContact O-CB 3.28Å; M113-T159 WeakPolarHBondContact O-CB 3.5Å; M113-T159 PolarHBondContact O-N 3.02Å
160	V	96.3	Very high	97.8	Very high	55 Å²	55	46.7 Å²	46.7	33%	0.333	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.7	174.7	65	0	0	0	0	111.2	M113 V114 M115 P158 L162	M113-V160 PolarHBondContact O-N 3.33Å; V114-V160 HydrophobicContact CB-CG1 4.24Å; V114-V160 HydrophobicContact CG1-CG1 4.13Å; V114-V160 HydrophobicContact CG2-CG1 3.68Å; M115-V160 PolarHBondContact N-O 3.33Å; P158-V160 PolarHBondContact O-N 3.24Å; V160-L162 HydrophobicContact CG1-CD1 4.34Å; V160-L162 HydrophobicContact CG1-CG 4.26Å; V160-L162 HydrophobicContact CG2-CD2 3.81Å; V160-L162 HydrophobicContact CG2-CG 4.01Å
161	Y	98	Very high	97.8	Very high	51 Å²	51	46.4 Å²	46.4	20%	0.2	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.7	163.3	-67.8	-79.3	0	0	0	108.5	M115 I117 F146 K147 P157 P158	M115-Y161 HydrophobicContact CB-CD1 4.12Å; M115-Y161 HydrophobicContact CB-CE1 4.38Å; M115-Y161 HydrophobicContact CG-CD1 4.38Å; M115-Y161 HydrophobicContact CG-CE1 4.46Å; M115-Y161 WeakPolarHBondContact O-CA 3.22Å; M115-Y161 HydrophobicContact SD-CD1 4.17Å; M115-Y161 HydrophobicContact SD-CE1 3.69Å; I117-Y161 HydrophobicContact CD1-CD1 3.74Å; I117-Y161 HydrophobicContact CD1-CE1 4.22Å; I117-Y161 HydrophobicContact CG1-CD1 3.96Å; F146-Y161 HydrophobicContact CE1-CE1 4.25Å; K147-Y161 HydrophobicContact CD-CE2 4.4Å; K147-Y161 HydrophobicContact CG-CE2 4.32Å; P157-Y161 HydrophobicContact CB-CE2 4.35Å; P158-Y161 VanDerWaalsContact CD-CE2 3.48Å; P158-Y161 WeakPolarHBondContact CD-OH 3.3Å; P158-Y161 HydrophobicContact CG-CD1 3.68Å; P158-Y161 HydrophobicContact CG-CD2 3.89Å; P158-Y161 HydrophobicContact CG-CE1 3.44Å; P158-Y161 VanDerWaalsContact CG-CE1 3.44Å; P158-Y161 HydrophobicContact CG-CE2 3.66Å; P158-Y161 HydrophobicContact CG-CG 3.92Å; P158-Y161 VanDerWaalsContact CG-CZ 3.44Å
162	L	97.7	Very high	97.8	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.131	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.5	177.7	-67.6	175.4	0	0	0	109.8	V114 M115 G116 I117 V160 I259 M262 V263	V114-L162 HydrophobicContact CG1-CD1 3.86Å; V114-L162 HydrophobicContact CG1-CG 4.45Å; M115-L162 PolarHBondContact O-N 2.72Å; G116-L162 CarbonylContact C-O 3.16Å; G116-L162 WeakPolarHBondContact CA-O 3.43Å; I117-L162 PolarHBondContact N-O 2.66Å; V160-L162 HydrophobicContact CG1-CD1 4.34Å; V160-L162 HydrophobicContact CG1-CG 4.26Å; V160-L162 HydrophobicContact CG2-CD2 3.81Å; V160-L162 HydrophobicContact CG2-CG 4.01Å; L162-I259 HydrophobicContact CB-CD1 4.45Å; L162-I259 HydrophobicContact CB-CG2 3.7Å; L162-I259 HydrophobicContact CD1-CG2 3.53Å; L162-I259 HydrophobicContact CG-CG2 4.24Å; L162-M262 HydrophobicContact CD1-CE 3.75Å; L162-V263 HydrophobicContact CD1-CG2 3.68Å
163	R	97.9	Very high	97.9	Very high	69 Å²	69	44 Å²	44	26%	0.26	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	148.4	177.7	-66.6	-176.1	-174.8	140.2	-11	111.3	I117 E143 E166 N167	I117-R163 HydrophobicContact CB-CG 4.36Å; E143-R163 IonicContact OE1-CZ 2.67Å; E143-R163 IonicContact OE1-NE 2.84Å; E143-R163 PolarHBondContact OE1-NE 2.81Å; E143-R163 IonicContact OE1-NH2 2.64Å; E143-R163 PolarHBondContact OE1-NH2 3.26Å; E143-R163 IonicContact OE2-CZ 3.8Å; E143-R163 IonicContact OE2-NE 3.23Å; E143-R163 PolarHBondContact OE2-NE 2.84Å; E143-R163 IonicContact OE2-NH2 2.7Å; E143-R163 PolarHBondContact OE2-NH2 2.74Å; R163-E166 HydrophobicContact CB-CB 4.21Å; R163-E166 HydrophobicContact CB-CG 3.98Å; R163-E166 WeakPolarHBondContact CD-OE1 3.44Å; R163-E166 IonicContact CZ-OE1 2.62Å; R163-E166 IonicContact NE-OE1 3.96Å; R163-E166 IonicContact NH1-OE1 2.99Å; R163-E166 PolarHBondContact NH1-OE1 2.88Å; R163-E166 PolarHBondContact O-N 2.96Å; R163-N167 PolarHBondContact O-ND2 3.27Å
164	V	97.6	Very high	97.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-67.6	-43.1	177.2	178.4	0	0	0	0	110.8	I117 D119 V120 E166 N167 I168 I171 P250 E255 I259	I117-V164 WeakPolarHBondContact O-CG2 3.35Å; I117-V164 PolarHBondContact O-N 3.45Å; D119-V164 WeakPolarHBondContact OD1-CA 3.42Å; D119-V164 WeakPolarHBondContact OD1-CB 3.49Å; D119-V164 PolarHBondContact OD1-N 3.25Å; V120-V164 HydrophobicContact CG1-CB 4.06Å; V120-V164 HydrophobicContact CG1-CG1 3.68Å; V164-E166 PolarHBondContact O-N 3.4Å; V164-N167 PolarHBondContact O-N 2.88Å; V164-I168 HydrophobicContact CG1-CD1 4.4Å; V164-I168 PolarHBondContact O-N 3.23Å; V164-I171 HydrophobicContact CG1-CD1 3.78Å; V164-P250 HydrophobicContact CG1-CB 4.47Å; V164-P250 HydrophobicContact CG1-CG 4.06Å; V164-E255 HydrophobicContact CB-CB 4.43Å; V164-E255 HydrophobicContact CG1-CB 3.9Å; V164-E255 HydrophobicContact CG2-CB 3.66Å; V164-E255 HydrophobicContact CG2-CG 4Å; V164-E255 WeakPolarHBondContact CG2-OE2 3.38Å; V164-I259 HydrophobicContact CG2-CD1 4.28Å
165	T	96.9	Very high	98	Very high	48 Å²	48	41.5 Å²	41.5	29%	0.294	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.9	-179.3	65.4	0	0	0	0	113.9	D119 V120 W241	D119-T165 PolarHBondContact OD1-N 3.2Å; D119-T165 WeakPolarHBondContact OD2-CB 3.3Å; D119-T165 VanDerWaalsContact OD2-CG2 3.22Å; D119-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D119-T165 PolarHBondContact OD2-OG1 2.99Å; V120-T165 HydrophobicContact CB-CG2 3.96Å; V120-T165 HydrophobicContact CG1-CG2 3.87Å; T165-W241 HydrophobicContact CG2-CH2 3.78Å; T165-W241 HydrophobicContact CG2-CZ2 3.64Å
166	E	97.1	Very high	98	Very high	105 Å²	105	44.1 Å²	44.1	49%	0.491	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.3	177.6	-66.8	173.6	178	0	0	113	R163 V164	R163-E166 HydrophobicContact CB-CB 4.21Å; R163-E166 HydrophobicContact CB-CG 3.98Å; R163-E166 WeakPolarHBondContact CD-OE1 3.44Å; R163-E166 IonicContact CZ-OE1 2.62Å; R163-E166 IonicContact NE-OE1 3.96Å; R163-E166 IonicContact NH1-OE1 2.99Å; R163-E166 PolarHBondContact NH1-OE1 2.88Å; R163-E166 PolarHBondContact O-N 2.96Å; V164-E166 PolarHBondContact O-N 3.4Å
167	N	97.8	Very high	98	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.07	23%	0.228	C	C	.	.	S	Bend	trans	-122.2	19.4	-173.3	-68.2	-77.4	0	0	0	113.4	R163 V164 Q170 I171 I259 M262	R163-N167 PolarHBondContact O-ND2 3.27Å; V164-N167 PolarHBondContact O-N 2.88Å; N167-Q170 PolarHBondContact O-N 3.4Å; N167-Q170 PolarHBondContact O-OE1 3.11Å; N167-I171 WeakPolarHBondContact O-CG1 3.48Å; N167-I171 PolarHBondContact O-N 2.96Å; N167-I259 HydrophobicContact CB-CG1 4.16Å; N167-M262 WeakPolarHBondContact OD1-CE 3.32Å; N167-M262 PolarHBondContact OD1-SD 2.91Å
168	I	98.1	Very high	98	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-44.1	-178.6	-61.1	-67.3	0	0	0	113.4	V164 Q170 I171 I172 W231 W241 P250	V164-I168 HydrophobicContact CG1-CD1 4.4Å; V164-I168 PolarHBondContact O-N 3.23Å; I168-Q170 VanDerWaalsContact C-N 3.29Å; I168-Q170 PolarHBondContact O-N 3.23Å; I168-I171 HydrophobicContact CD1-CD1 4.35Å; I168-I171 PolarHBondContact O-N 2.81Å; I168-I172 HydrophobicContact CG2-CD1 3.78Å; I168-I172 HydrophobicContact CG2-CG1 4.26Å; I168-I172 WeakPolarHBondContact O-CG1 3.35Å; I168-I172 PolarHBondContact O-N 2.85Å; I168-W231 HydrophobicContact CG2-CH2 4.12Å; I168-W231 HydrophobicContact CG2-CZ3 4.42Å; I168-W241 HydrophobicContact CB-CG 4.32Å; I168-W241 HydrophobicContact CD1-CD2 4.09Å; I168-W241 HydrophobicContact CD1-CE3 4.26Å; I168-W241 HydrophobicContact CG1-CD2 3.94Å; I168-W241 HydrophobicContact CG1-CG 4.05Å; I168-W241 HydrophobicContact CG1-CZ2 4.36Å; I168-W241 HydrophobicContact CG2-CB 3.79Å; I168-W241 HydrophobicContact CG2-CD2 4.37Å; I168-W241 HydrophobicContact CG2-CG 3.74Å; I168-P250 HydrophobicContact CD1-CG 3.53Å
169	P	97.9	Very high	98	Very high	89 Å²	89	39.6 Å²	39.6	58%	0.578	21%	0.212	S	C	*	.	H	α-helix	trans	-58.9	-40.3	177.9	-25.2	35.9	0	0	0	112.9	I172 S173	P169-I172 PolarHBondContact O-N 3.47Å; P169-S173 PolarHBondContact O-N 2.98Å
170	Q	98.2	Very high	98.1	Very high	79 Å²	79	39.5 Å²	39.5	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-67.4	-40.5	177.3	-68.2	81.9	-7.7	0	0	111.2	N167 I168 S173 F174 M262	N167-Q170 PolarHBondContact O-N 3.4Å; N167-Q170 PolarHBondContact O-OE1 3.11Å; I168-Q170 VanDerWaalsContact C-N 3.29Å; I168-Q170 PolarHBondContact O-N 3.23Å; Q170-S173 PolarHBondContact O-N 3.43Å; Q170-F174 VanDerWaalsContact O-CB 3.29Å; Q170-F174 WeakPolarHBondContact O-CB 3.18Å; Q170-F174 PolarHBondContact O-N 3.41Å; Q170-M262 HydrophobicContact CB-SD 4.44Å; Q170-M262 HydrophobicContact CG-CG 4.45Å; Q170-M262 HydrophobicContact CG-SD 3.75Å
171	I	98.6	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-46.2	174.4	-68.4	161.9	0	0	0	111	V164 N167 I168 S173 F174 I175 P250 I254 E255 A258	V164-I171 HydrophobicContact CG1-CD1 3.78Å; N167-I171 WeakPolarHBondContact O-CG1 3.48Å; N167-I171 PolarHBondContact O-N 2.96Å; I168-I171 HydrophobicContact CD1-CD1 4.35Å; I168-I171 PolarHBondContact O-N 2.81Å; I171-S173 PolarHBondContact O-N 2.73Å; I171-F174 WeakPolarHBondContact O-CB 3.49Å; I171-F174 PolarHBondContact O-N 3.44Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 VanDerWaalsContact O-CG1 3.28Å; I171-I175 WeakPolarHBondContact O-CG1 3.31Å; I171-I175 PolarHBondContact O-N 3.03Å; I171-P250 HydrophobicContact CD1-CB 4.48Å; I171-P250 HydrophobicContact CD1-CG 3.91Å; I171-P250 HydrophobicContact CG2-CB 4.12Å; I171-P250 HydrophobicContact CG2-CG 3.95Å; I171-I254 HydrophobicContact CG2-CG1 4.31Å; I171-I254 HydrophobicContact CG2-CG2 3.85Å; I171-E255 HydrophobicContact CD1-CB 4.28Å; I171-A258 HydrophobicContact CB-CB 4.3Å; I171-A258 HydrophobicContact CG1-CB 3.63Å
172	I	98.7	Very high	98.1	Very high	20 Å²	20	40.1 Å²	40.1	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-49.1	177.6	-68.6	168	0	0	0	110.1	I168 P169 F174 I175 E176 W231 A242 P244 W245	I168-I172 HydrophobicContact CG2-CD1 3.78Å; I168-I172 HydrophobicContact CG2-CG1 4.26Å; I168-I172 WeakPolarHBondContact O-CG1 3.35Å; I168-I172 PolarHBondContact O-N 2.85Å; P169-I172 PolarHBondContact O-N 3.47Å; I172-F174 VanDerWaalsContact C-N 3.28Å; I172-F174 PolarHBondContact O-N 3.02Å; I172-I175 PolarHBondContact O-N 2.76Å; I172-I175 VanDerWaalsContact O-N 3.15Å; I172-E176 WeakPolarHBondContact O-CG 3.47Å; I172-E176 PolarHBondContact O-N 2.85Å; I172-W231 HydrophobicContact CD1-CH2 3.96Å; I172-W231 HydrophobicContact CD1-CZ3 4.3Å; I172-W231 HydrophobicContact CG1-CE3 4.44Å; I172-W231 HydrophobicContact CG1-CH2 3.91Å; I172-W231 HydrophobicContact CG1-CZ3 3.74Å; I172-A242 WeakPolarHBondContact CD1-O 3.36Å; I172-P244 HydrophobicContact CG2-CG 4.21Å; I172-W245 HydrophobicContact CG2-CH2 4.06Å; I172-W245 HydrophobicContact CG2-CZ3 4.1Å
173	S	98.4	Very high	98.2	Very high	38 Å²	38	40.5 Å²	40.5	27%	0.266	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-37.9	178.4	-177.5	0	0	0	0	112.5	P169 Q170 I171 E176 G177	P169-S173 PolarHBondContact O-N 2.98Å; Q170-S173 PolarHBondContact O-N 3.43Å; I171-S173 PolarHBondContact O-N 2.73Å; S173-E176 PolarHBondContact O-N 3.46Å; S173-G177 PolarHBondContact O-N 2.8Å
174	F	98.7	Very high	98.2	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-42.9	176.2	-164.7	-90	0	0	0	111.7	Q170 I171 I172 G177 I178 I254 A258 S261 Q288 F292	Q170-F174 VanDerWaalsContact O-CB 3.29Å; Q170-F174 WeakPolarHBondContact O-CB 3.18Å; Q170-F174 PolarHBondContact O-N 3.41Å; I171-F174 WeakPolarHBondContact O-CB 3.49Å; I171-F174 PolarHBondContact O-N 3.44Å; I172-F174 VanDerWaalsContact C-N 3.28Å; I172-F174 PolarHBondContact O-N 3.02Å; F174-G177 PolarHBondContact O-N 3.18Å; F174-I178 HydrophobicContact CD1-CD1 3.87Å; F174-I178 HydrophobicContact CD1-CG1 4.4Å; F174-I178 HydrophobicContact CE1-CD1 3.78Å; F174-I178 HydrophobicContact CE1-CG1 4.37Å; F174-I178 WeakPolarHBondContact O-CG1 3.43Å; F174-I178 PolarHBondContact O-N 3.27Å; F174-I178 VanDerWaalsContact O-N 3.08Å; F174-I254 HydrophobicContact CD1-CD1 3.52Å; F174-I254 HydrophobicContact CD1-CG1 4.44Å; F174-I254 HydrophobicContact CE1-CD1 3.76Å; F174-A258 HydrophobicContact CB-CB 3.96Å; F174-A258 HydrophobicContact CD1-CB 4.41Å; F174-A258 HydrophobicContact CD2-CB 4.35Å; F174-A258 HydrophobicContact CG-CB 4.01Å; F174-S261 WeakPolarHBondContact CE2-OG 3.49Å; F174-Q288 HydrophobicContact CE1-CB 4.18Å; F174-F292 HydrophobicContact CB-CD2 4.47Å; F174-F292 HydrophobicContact CB-CE2 4.35Å; F174-F292 HydrophobicContact CD1-CD2 4.31Å; F174-F292 HydrophobicContact CD1-CG 4.44Å; F174-F292 HydrophobicContact CD2-CB 4.25Å; F174-F292 AromaticContact CD2-CD1 3.59Å; F174-F292 HydrophobicContact CD2-CD1 3.59Å; F174-F292 AromaticContact CD2-CD2 3.61Å; F174-F292 HydrophobicContact CD2-CD2 3.61Å; F174-F292 AromaticContact CD2-CE1 3.74Å; F174-F292 HydrophobicContact CD2-CE1 3.74Å; F174-F292 AromaticContact CD2-CE2 3.77Å; F174-F292 HydrophobicContact CD2-CE2 3.77Å; F174-F292 AromaticContact CD2-CG 3.52Å; F174-F292 HydrophobicContact CD2-CG 3.52Å; F174-F292 AromaticContact CD2-CZ 3.82Å; F174-F292 HydrophobicContact CD2-CZ 3.82Å; F174-F292 HydrophobicContact CE1-CB 3.97Å; F174-F292 HydrophobicContact CE1-CG 4.24Å; F174-F292 HydrophobicContact CE2-CB 3.61Å; F174-F292 AromaticContact CE2-CD1 3.22Å; F174-F292 HydrophobicContact CE2-CD1 3.22Å; F174-F292 AromaticContact CE2-CD2 3.85Å; F174-F292 HydrophobicContact CE2-CD2 3.85Å; F174-F292 AromaticContact CE2-CE1 3.79Å; F174-F292 HydrophobicContact CE2-CE1 3.79Å; F174-F292 HydrophobicContact CE2-CE2 4.36Å; F174-F292 AromaticContact CE2-CG 3.25Å; F174-F292 HydrophobicContact CE2-CG 3.25Å; F174-F292 HydrophobicContact CE2-CZ 4.32Å; F174-F292 AromaticContact CG-CD2 3.88Å; F174-F292 HydrophobicContact CG-CD2 3.88Å; F174-F292 HydrophobicContact CG-CE2 4.13Å; F174-F292 HydrophobicContact CG-CG 4.13Å; F174-F292 HydrophobicContact CZ-CB 3.47Å; F174-F292 VanDerWaalsContact CZ-CB 3.47Å; F174-F292 HydrophobicContact CZ-CD1 4.01Å; F174-F292 HydrophobicContact CZ-CD2 4.33Å; F174-F292 AromaticContact CZ-CG 3.67Å; F174-F292 HydrophobicContact CZ-CG 3.67Å; F174-F292 WeakPolarHBondContact O-CD2 3.49Å
175	I	98.8	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-43.2	175.3	-64.5	168.7	0	0	0	111.1	I171 I172 G177 I178 I179 V192 L230 W231 W245 I254	I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 VanDerWaalsContact O-CG1 3.28Å; I171-I175 WeakPolarHBondContact O-CG1 3.31Å; I171-I175 PolarHBondContact O-N 3.03Å; I172-I175 PolarHBondContact O-N 2.76Å; I172-I175 VanDerWaalsContact O-N 3.15Å; I175-G177 PolarHBondContact O-N 3.2Å; I175-I178 PolarHBondContact O-N 3.35Å; I175-I178 VanDerWaalsContact O-N 3.13Å; I175-I179 HydrophobicContact CG2-CD1 4.17Å; I175-I179 WeakPolarHBondContact O-CG1 3.32Å; I175-I179 PolarHBondContact O-N 2.97Å; I175-V192 HydrophobicContact CG2-CB 4.32Å; I175-V192 HydrophobicContact CG2-CG1 3.72Å; I175-L230 HydrophobicContact CD1-CB 4.08Å; I175-L230 WeakPolarHBondContact CD1-O 3.42Å; I175-L230 HydrophobicContact CG1-CB 4.07Å; I175-L230 HydrophobicContact CG2-CB 4.27Å; I175-L230 HydrophobicContact CG2-CD1 4.28Å; I175-W231 HydrophobicContact CD1-CB 4.21Å; I175-W231 HydrophobicContact CD1-CE3 4.04Å; I175-W245 HydrophobicContact CB-CH2 3.6Å; I175-W245 HydrophobicContact CB-CZ2 4.33Å; I175-W245 HydrophobicContact CB-CZ3 4.21Å; I175-W245 HydrophobicContact CD1-CZ3 4.34Å; I175-W245 HydrophobicContact CG2-CH2 3.31Å; I175-W245 HydrophobicContact CG2-CZ2 3.67Å; I175-W245 HydrophobicContact CG2-CZ3 3.89Å; I175-I254 HydrophobicContact CD1-CG1 4.05Å; I175-I254 HydrophobicContact CD1-CG2 4.48Å; I175-I254 HydrophobicContact CG1-CD1 4.21Å; I175-I254 HydrophobicContact CG1-CG1 3.67Å
176	E	98.7	Very high	98.2	Very high	76 Å²	76	39 Å²	39	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-56.3	-41.4	174.2	-71	177.5	137.7	0	0	111.3	I172 S173 I179 A180 P244 W245	I172-E176 WeakPolarHBondContact O-CG 3.47Å; I172-E176 PolarHBondContact O-N 2.85Å; S173-E176 PolarHBondContact O-N 3.46Å; E176-I179 PolarHBondContact O-N 3.39Å; E176-A180 WeakPolarHBondContact O-CB 3.41Å; E176-A180 PolarHBondContact O-N 3.26Å; E176-P244 VanDerWaalsContact OE1-CG 3.25Å; E176-P244 WeakPolarHBondContact OE1-CG 3.4Å; E176-W245 HydrophobicContact CG-CH2 3.96Å; E176-W245 HydrophobicContact CG-CZ2 3.79Å
177	G	98.5	Very high	98.2	Very high	14 Å²	14	35.1 Å²	35.1	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-43.9	174.3	0	0	0	0	0	113.2	S173 F174 I175 I179 A180 H181	S173-G177 PolarHBondContact O-N 2.8Å; F174-G177 PolarHBondContact O-N 3.18Å; I175-G177 PolarHBondContact O-N 3.2Å; G177-I179 VanDerWaalsContact C-N 3.33Å; G177-I179 PolarHBondContact O-N 3.39Å; G177-A180 PolarHBondContact O-N 3.3Å; G177-H181 PolarHBondContact O-N 3.25Å; G177-H181 PolarHBondContact O-ND1 2.97Å
178	I	98.7	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-40.7	175.8	-63.1	173.2	0	0	0	111.2	F174 I175 H181 G182 H183 A184 F194 L230 I254 Q288 V291 F292	F174-I178 HydrophobicContact CD1-CD1 3.87Å; F174-I178 HydrophobicContact CD1-CG1 4.4Å; F174-I178 HydrophobicContact CE1-CD1 3.78Å; F174-I178 HydrophobicContact CE1-CG1 4.37Å; F174-I178 WeakPolarHBondContact O-CG1 3.43Å; F174-I178 PolarHBondContact O-N 3.27Å; F174-I178 VanDerWaalsContact O-N 3.08Å; I175-I178 PolarHBondContact O-N 3.35Å; I175-I178 VanDerWaalsContact O-N 3.13Å; I178-H181 PolarHBondContact O-N 3.47Å; I178-G182 PolarHBondContact O-N 3.38Å; I178-H183 HydrophobicContact CG2-CB 3.96Å; I178-H183 PolarHBondContact O-N 3.3Å; I178-H183 VanDerWaalsContact O-N 3.14Å; I178-A184 HydrophobicContact CB-CB 4.32Å; I178-A184 HydrophobicContact CG2-CB 3.56Å; I178-F194 HydrophobicContact CG2-CD2 3.89Å; I178-F194 HydrophobicContact CG2-CE2 3.98Å; I178-L230 HydrophobicContact CD1-CD1 4.13Å; I178-L230 HydrophobicContact CG2-CD1 4.12Å; I178-I254 HydrophobicContact CD1-CD1 3.87Å; I178-Q288 HydrophobicContact CD1-CB 4.04Å; I178-Q288 HydrophobicContact CD1-CG 4.18Å; I178-V291 HydrophobicContact CB-CG1 4.34Å; I178-V291 HydrophobicContact CG1-CG1 4.26Å; I178-V291 HydrophobicContact CG2-CG1 3.96Å; I178-F292 HydrophobicContact CG1-CB 4.3Å
179	I	98.6	Very high	97.8	Very high	51 Å²	51	44.9 Å²	44.9	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-45.4	175.6	-66.6	173.5	0	0	0	110.6	I175 E176 G177 H181 G182 A184 V192 W245	I175-I179 HydrophobicContact CG2-CD1 4.17Å; I175-I179 WeakPolarHBondContact O-CG1 3.32Å; I175-I179 PolarHBondContact O-N 2.97Å; E176-I179 PolarHBondContact O-N 3.39Å; G177-I179 VanDerWaalsContact C-N 3.33Å; G177-I179 PolarHBondContact O-N 3.39Å; I179-H181 PolarHBondContact O-N 3.29Å; I179-G182 WeakPolarHBondContact O-CA 3.23Å; I179-G182 PolarHBondContact O-N 2.85Å; I179-A184 HydrophobicContact CG1-CB 3.61Å; I179-V192 HydrophobicContact CD1-CG1 3.93Å; I179-V192 HydrophobicContact CG1-CG1 4.32Å; I179-W245 HydrophobicContact CD1-CZ2 3.54Å
180	A	98.4	Very high	97.7	Very high	83 Å²	83	41.1 Å²	41.1	69%	0.686	26%	0.261	S	S	*	.	H	α-helix	trans	-59.9	-32.3	179.1	0	0	0	0	0	112.2	E176 G177 G182	E176-A180 WeakPolarHBondContact O-CB 3.41Å; E176-A180 PolarHBondContact O-N 3.26Å; G177-A180 PolarHBondContact O-N 3.3Å; A180-G182 VanDerWaalsContact C-N 3.27Å; A180-G182 PolarHBondContact O-N 3.38Å
181	H	98.3	Very high	97.6	Very high	67 Å²	67	38.4 Å²	38.4	31%	0.31	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.2	173.7	-61.7	134	0	0	0	114.3	G177 I178 I179 H183 V291 F292 Q294	G177-H181 PolarHBondContact O-N 3.25Å; G177-H181 PolarHBondContact O-ND1 2.97Å; I178-H181 PolarHBondContact O-N 3.47Å; I179-H181 PolarHBondContact O-N 3.29Å; H181-H183 PolarHBondContact O-CD2 3.05Å; H181-H183 PolarHBondContact O-N 3.45Å; H181-V291 HydrophobicContact CB-CG1 4.12Å; H181-V291 PolarHBondContact ND1-O 3.14Å; H181-F292 PolarHBondContact CE1-O 3.43Å; H181-F292 VanDerWaalsContact CE1-O 3.31Å; H181-Q294 PolarHBondContact CD2-NE2 3.06Å; H181-Q294 PolarHBondContact ND1-NE2 2.99Å
182	G	97.5	Very high	97.6	Very high	51 Å²	51	38.4 Å²	38.4	53%	0.526	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	17.3	172.6	0	0	0	0	0	115.3	I178 I179 A180	I178-G182 PolarHBondContact O-N 3.38Å; I179-G182 WeakPolarHBondContact O-CA 3.23Å; I179-G182 PolarHBondContact O-N 2.85Å; A180-G182 VanDerWaalsContact C-N 3.27Å; A180-G182 PolarHBondContact O-N 3.38Å
183	H	98.1	Very high	97.6	Very high	34 Å²	34	38.4 Å²	38.4	16%	0.157	25%	0.248	C	C	.	.	S	Bend	trans	-111.6	6	-174.8	-74.1	-71.7	0	0	0	113.9	I178 H181 F194 D195 S198 V291	I178-H183 HydrophobicContact CG2-CB 3.96Å; I178-H183 PolarHBondContact O-N 3.3Å; I178-H183 VanDerWaalsContact O-N 3.14Å; H181-H183 PolarHBondContact O-CD2 3.05Å; H181-H183 PolarHBondContact O-N 3.45Å; H183-F194 HydrophobicContact CB-CE2 4.31Å; H183-F194 HydrophobicContact CB-CZ 4.38Å; H183-D195 PolarHBondContact O-N 3.07Å; H183-S198 WeakPolarHBondContact CA-OG 3.44Å; H183-S198 PolarHBondContact CE1-O 3.39Å; H183-S198 VanDerWaalsContact CE1-O 3.27Å; H183-S198 PolarHBondContact ND1-OG 2.77Å; H183-V291 HydrophobicContact CB-CB 4.49Å; H183-V291 HydrophobicContact CB-CG1 3.61Å; H183-V291 HydrophobicContact CB-CG2 4.1Å; H183-V291 VanDerWaalsContact CD2-CG1 3.47Å; H183-V291 WeakPolarHBondContact CD2-CG1 3.42Å
184	A	98.2	Very high	97.6	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.9	173.3	0	0	0	0	0	110.9	I178 I179 V192 Y193 L230	I178-A184 HydrophobicContact CB-CB 4.32Å; I178-A184 HydrophobicContact CG2-CB 3.56Å; I179-A184 HydrophobicContact CG1-CB 3.61Å; A184-V192 HydrophobicContact CB-CG1 4.25Å; A184-Y193 CarbonylContact C-O 3.52Å; A184-Y193 WeakPolarHBondContact CA-O 3.27Å; A184-Y193 VanDerWaalsContact CB-O 3.27Å; A184-Y193 WeakPolarHBondContact CB-O 3.27Å; A184-L230 HydrophobicContact CB-CD1 3.61Å
185	Y	98.2	Very high	97.5	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.4	177.8	61.6	-86.9	0	0	0	111.2	T187 V192 Y193 D195 R223 D227	Y185-T187 HydrophobicContact CD2-CG2 4.35Å; Y185-T187 HydrophobicContact CE2-CG2 4.16Å; Y185-V192 WeakPolarHBondContact O-CA 3.34Å; Y185-Y193 AromaticContact CE2-CD2 3.87Å; Y185-Y193 HydrophobicContact CE2-CD2 3.87Å; Y185-Y193 HydrophobicContact CE2-CG 4.41Å; Y185-Y193 PolarHBondContact N-O 3.36Å; Y185-Y193 PolarHBondContact O-N 2.89Å; Y185-D195 HydrophobicContact CD1-CB 3.98Å; Y185-D195 HydrophobicContact CE1-CB 4.07Å; Y185-R223 HydrophobicContact CD2-CG 4.22Å; Y185-R223 HydrophobicContact CE1-CB 4.26Å; Y185-R223 HydrophobicContact CE1-CG 4.11Å; Y185-R223 HydrophobicContact CE2-CB 4.32Å; Y185-R223 HydrophobicContact CE2-CG 3.65Å; Y185-R223 VanDerWaalsContact CG-CZ 3.43Å; Y185-R223 PolarHBondContact OH-N 3.07Å; Y185-D227 WeakPolarHBondContact CE1-OD2 3.36Å; Y185-D227 PolarHBondContact OH-OD2 2.92Å
186	S	97.6	Very high	97.2	Very high	64 Å²	64	38.3 Å²	38.3	45%	0.448	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151.1	169.9	60.9	0	0	0	0	111.5	N191 W245	S186-N191 CarbonylContact C-O 3.52Å; S186-N191 VanDerWaalsContact CA-O 3.23Å; S186-N191 WeakPolarHBondContact CA-O 3.2Å; S186-W245 VanDerWaalsContact CB-CD1 3.48Å
187	T	96.8	Very high	96.9	Very high	24 Å²	24	41 Å²	41	15%	0.147	26%	0.255	C	S	.	.			trans	-105.2	164.7	175.4	75	0	0	0	0	111.4	Y185 K189 G190 N191 Y193 D221	Y185-T187 HydrophobicContact CD2-CG2 4.35Å; Y185-T187 HydrophobicContact CE2-CG2 4.16Å; T187-K189 PolarHBondContact O-N 3.5Å; T187-K189 PolarHBondContact OG1-N 3.42Å; T187-G190 PolarHBondContact O-N 3.08Å; T187-N191 HydrophobicContact CG2-CB 4.35Å; T187-N191 PolarHBondContact N-O 2.98Å; T187-N191 PolarHBondContact OG1-N 2.88Å; T187-Y193 HydrophobicContact CG2-CD2 3.8Å; T187-Y193 HydrophobicContact CG2-CE2 3.71Å; T187-D221 WeakPolarHBondContact CB-OD2 3.41Å; T187-D221 HydrophobicContact CG2-CB 4.36Å; T187-D221 WeakPolarHBondContact CG2-O 3.33Å; T187-D221 WeakPolarHBondContact CG2-OD2 3.46Å; T187-D221 PolarHBondContact OG1-OD2 2.97Å
188	A	94.3	Very high	96.7	Very high	119 Å²	119	42.4 Å²	42.4	98%	0.983	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.3	173.7	0	0	0	0	0	113.2	G190	A188-G190 VanDerWaalsContact C-N 3.3Å
189	K	93.4	Very high	96.4	Very high	103 Å²	103	43.2 Å²	43.2	45%	0.448	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.4	175.2	-59	-173.8	-180	179.9	0	112.9	T187 D219 D221 A233	T187-K189 PolarHBondContact O-N 3.5Å; T187-K189 PolarHBondContact OG1-N 3.42Å; K189-D219 PolarHBondContact NZ-O 3.43Å; K189-D219 IonicContact NZ-OD1 3.48Å; K189-D219 PolarHBondContact NZ-OD1 2.86Å; K189-D219 IonicContact NZ-OD2 3.85Å; K189-D219 PolarHBondContact NZ-OD2 3.26Å; K189-D221 WeakPolarHBondContact CB-OD2 3.26Å; K189-D221 HydrophobicContact CD-CB 3.98Å; K189-A233 WeakPolarHBondContact O-CB 3.49Å
190	G	95.3	Very high	95.9	Very high	11 Å²	11	43 Å²	43	11%	0.113	28%	0.276	C	S	.	.	S	Bend	trans	87.7	7.6	-179.2	0	0	0	0	0	115	T187 A188 W245	T187-G190 PolarHBondContact O-N 3.08Å; A188-G190 VanDerWaalsContact C-N 3.3Å; G190-W245 WeakPolarHBondContact CA-O 3.27Å
191	N	96.7	Very high	95.4	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.118	28%	0.282	C	S	.	.			trans	-77.3	152.1	170.8	-63.8	-57.4	0	0	0	110.1	S186 T187 Y193 D221 W231 A233	S186-N191 CarbonylContact C-O 3.52Å; S186-N191 VanDerWaalsContact CA-O 3.23Å; S186-N191 WeakPolarHBondContact CA-O 3.2Å; T187-N191 HydrophobicContact CG2-CB 4.35Å; T187-N191 PolarHBondContact N-O 2.98Å; T187-N191 PolarHBondContact OG1-N 2.88Å; N191-Y193 HydrophobicContact CB-CD2 4.27Å; N191-Y193 HydrophobicContact CB-CE2 3.53Å; N191-D221 PolarHBondContact ND2-OD1 3.41Å; N191-D221 PolarHBondContact ND2-OD2 3.27Å; N191-W231 WeakPolarHBondContact CA-O 3.39Å; N191-A233 PolarHBondContact OD1-N 3.35Å
192	V	98.3	Very high	95	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.4	167.7	-175.3	0	0	0	0	108.8	I175 I179 A184 Y185 L230 W231 W245	I175-V192 HydrophobicContact CG2-CB 4.32Å; I175-V192 HydrophobicContact CG2-CG1 3.72Å; I179-V192 HydrophobicContact CD1-CG1 3.93Å; I179-V192 HydrophobicContact CG1-CG1 4.32Å; A184-V192 HydrophobicContact CB-CG1 4.25Å; Y185-V192 WeakPolarHBondContact O-CA 3.34Å; V192-L230 HydrophobicContact CB-CB 4.4Å; V192-L230 HydrophobicContact CG1-CB 4.21Å; V192-L230 HydrophobicContact CG1-CD1 4.27Å; V192-L230 PolarHBondContact O-N 2.96Å; V192-W231 HydrophobicContact CB-CB 3.77Å; V192-W231 HydrophobicContact CG2-CB 3.84Å; V192-W231 PolarHBondContact N-O 3.2Å; V192-W231 PolarHBondContact O-N 3.04Å; V192-W231 VanDerWaalsContact O-N 3.07Å; V192-W245 HydrophobicContact CG2-CB 4.09Å; V192-W245 HydrophobicContact CG2-CD2 3.32Å; V192-W245 HydrophobicContact CG2-CE3 3.68Å; V192-W245 HydrophobicContact CG2-CG 3.46Å; V192-W245 VanDerWaalsContact CG2-CG 3.46Å; V192-W245 HydrophobicContact CG2-CZ2 4.41Å; V192-W245 HydrophobicContact CG2-CZ3 4.36Å
193	Y	98.1	Very high	94.7	Very high	19 Å²	19	46.5 Å²	46.5	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.3	178.9	-63.1	-76	0	0	0	111	A184 Y185 T187 N191 D221 K222 F228 A229	A184-Y193 CarbonylContact C-O 3.52Å; A184-Y193 WeakPolarHBondContact CA-O 3.27Å; A184-Y193 VanDerWaalsContact CB-O 3.27Å; A184-Y193 WeakPolarHBondContact CB-O 3.27Å; Y185-Y193 AromaticContact CE2-CD2 3.87Å; Y185-Y193 HydrophobicContact CE2-CD2 3.87Å; Y185-Y193 HydrophobicContact CE2-CG 4.41Å; Y185-Y193 PolarHBondContact N-O 3.36Å; Y185-Y193 PolarHBondContact O-N 2.89Å; T187-Y193 HydrophobicContact CG2-CD2 3.8Å; T187-Y193 HydrophobicContact CG2-CE2 3.71Å; N191-Y193 HydrophobicContact CB-CD2 4.27Å; N191-Y193 HydrophobicContact CB-CE2 3.53Å; Y193-D221 WeakPolarHBondContact CE2-OD1 3.36Å; Y193-D221 VanDerWaalsContact CZ-OD1 3.3Å; Y193-D221 PolarHBondContact OH-OD1 3.39Å; Y193-K222 HydrophobicContact CD1-CD 4.14Å; Y193-K222 HydrophobicContact CD1-CG 3.77Å; Y193-K222 HydrophobicContact CD2-CG 4.1Å; Y193-K222 HydrophobicContact CE1-CD 3.98Å; Y193-K222 HydrophobicContact CE1-CG 3.52Å; Y193-K222 HydrophobicContact CE2-CG 3.83Å; Y193-K222 HydrophobicContact CG-CG 4.06Å; Y193-F228 WeakPolarHBondContact CA-O 3.2Å; Y193-A229 HydrophobicContact CD1-CB 4.05Å; Y193-A229 HydrophobicContact CE1-CB 3.89Å
194	F	97.9	Very high	94.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.5	166.2	-169.3	-83.8	0	0	0	108.8	I178 H183 L196 R199 D227 F228 L230 A287 Q288 V291	I178-F194 HydrophobicContact CG2-CD2 3.89Å; I178-F194 HydrophobicContact CG2-CE2 3.98Å; H183-F194 HydrophobicContact CB-CE2 4.31Å; H183-F194 HydrophobicContact CB-CZ 4.38Å; F194-L196 HydrophobicContact CD1-CD1 4.28Å; F194-L196 HydrophobicContact CE1-CD1 4.3Å; F194-L196 PolarHBondContact O-N 3.48Å; F194-R199 HydrophobicContact CE1-CB 4.05Å; F194-R199 HydrophobicContact CZ-CB 4.47Å; F194-D227 VanDerWaalsContact O-CB 3.26Å; F194-D227 WeakPolarHBondContact O-CB 3.39Å; F194-F228 HydrophobicContact CB-CD1 4.38Å; F194-F228 HydrophobicContact CB-CD2 3.78Å; F194-F228 HydrophobicContact CB-CE1 3.96Å; F194-F228 HydrophobicContact CB-CE2 3.23Å; F194-F228 HydrophobicContact CB-CG 4.32Å; F194-F228 HydrophobicContact CB-CZ 3.37Å; F194-F228 AromaticContact CD1-CE1 3.72Å; F194-F228 HydrophobicContact CD1-CE1 3.72Å; F194-F228 HydrophobicContact CD1-CE2 4.27Å; F194-F228 AromaticContact CD1-CZ 3.48Å; F194-F228 HydrophobicContact CD1-CZ 3.48Å; F194-F228 VanDerWaalsContact CD1-CZ 3.48Å; F194-F228 HydrophobicContact CD2-CE2 4.12Å; F194-F228 AromaticContact CD2-CZ 3.88Å; F194-F228 HydrophobicContact CD2-CZ 3.88Å; F194-F228 HydrophobicContact CE1-CE1 4.46Å; F194-F228 HydrophobicContact CE1-CZ 4.2Å; F194-F228 AromaticContact CG-CE1 3.96Å; F194-F228 HydrophobicContact CG-CE1 3.96Å; F194-F228 AromaticContact CG-CE2 3.64Å; F194-F228 HydrophobicContact CG-CE2 3.64Å; F194-F228 AromaticContact CG-CZ 3.29Å; F194-F228 HydrophobicContact CG-CZ 3.29Å; F194-F228 PolarHBondContact N-O 3.4Å; F194-L230 HydrophobicContact CB-CD1 4.17Å; F194-L230 HydrophobicContact CB-CD2 4.04Å; F194-L230 HydrophobicContact CB-CG 4.05Å; F194-L230 HydrophobicContact CD2-CD1 4.37Å; F194-L230 HydrophobicContact CD2-CD2 4.44Å; F194-A287 HydrophobicContact CE1-CB 4.28Å; F194-A287 HydrophobicContact CZ-CB 3.94Å; F194-Q288 HydrophobicContact CD2-CG 4.13Å; F194-Q288 HydrophobicContact CE2-CG 4.31Å; F194-V291 HydrophobicContact CE2-CB 4.49Å; F194-V291 HydrophobicContact CE2-CG2 4.25Å; F194-V291 HydrophobicContact CZ-CG2 4.03Å
195	D	96.4	Very high	94.1	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.123	28%	0.277	C	S	.	.			trans	-79.3	98.4	178.8	-174.2	-30.4	0	0	0	109	H183 Y185 K197 S198 R223	H183-D195 PolarHBondContact O-N 3.07Å; Y185-D195 HydrophobicContact CD1-CB 3.98Å; Y185-D195 HydrophobicContact CE1-CB 4.07Å; D195-K197 PolarHBondContact O-N 2.65Å; D195-K197 WeakPolarHBondContact OD1-CB 3.31Å; D195-K197 PolarHBondContact OD1-N 2.91Å; D195-K197 VanDerWaalsContact OD1-N 3.1Å; D195-S198 WeakPolarHBondContact O-CB 3.43Å; D195-S198 PolarHBondContact O-N 3.41Å; D195-S198 PolarHBondContact O-OG 2.95Å; D195-S198 PolarHBondContact OD1-N 3.04Å; D195-R223 IonicContact OD2-NH1 3.3Å
196	L	93.1	Very high	93.9	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-30.9	-175.2	-158.4	68.9	0	0	0	111.9	F194 S198 R199 G200 Y203 D227 F228	F194-L196 HydrophobicContact CD1-CD1 4.28Å; F194-L196 HydrophobicContact CE1-CD1 4.3Å; F194-L196 PolarHBondContact O-N 3.48Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 3.47Å; L196-R199 WeakPolarHBondContact O-CB 3.48Å; L196-R199 PolarHBondContact O-N 3.18Å; L196-R199 VanDerWaalsContact O-N 3.1Å; L196-G200 PolarHBondContact O-N 3.02Å; L196-Y203 HydrophobicContact CD1-CD1 3.81Å; L196-Y203 HydrophobicContact CD1-CD2 3.47Å; L196-Y203 VanDerWaalsContact CD1-CD2 3.47Å; L196-Y203 HydrophobicContact CD1-CE1 3.93Å; L196-Y203 HydrophobicContact CD1-CE2 3.58Å; L196-Y203 HydrophobicContact CD1-CG 3.58Å; L196-Y203 HydrophobicContact CD2-CD1 3.99Å; L196-Y203 HydrophobicContact CD2-CE1 3.95Å; L196-Y203 HydrophobicContact CG-CD1 4.21Å; L196-Y203 HydrophobicContact CG-CE1 4.47Å; L196-Y203 HydrophobicContact CG-CG 4.28Å; L196-D227 PolarHBondContact N-OD1 2.8Å; L196-F228 HydrophobicContact CD1-CD1 4.49Å; L196-F228 HydrophobicContact CD1-CE1 3.93Å
197	K	92.1	Very high	93.3	Very high	133 Å²	133	46.7 Å²	46.7	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-65.2	-37.2	177.6	-72.1	-162.6	-174.8	169.2	0	111.7	D195 R199 G200 H224	D195-K197 PolarHBondContact O-N 2.65Å; D195-K197 WeakPolarHBondContact OD1-CB 3.31Å; D195-K197 PolarHBondContact OD1-N 2.91Å; D195-K197 VanDerWaalsContact OD1-N 3.1Å; K197-R199 PolarHBondContact O-N 2.79Å; K197-G200 PolarHBondContact O-N 3.49Å; K197-G200 VanDerWaalsContact O-N 3.14Å; K197-H224 WeakPolarHBondContact CD-CD2 3.38Å; K197-H224 VanDerWaalsContact CD-NE2 3.33Å; K197-H224 WeakPolarHBondContact CD-NE2 3.21Å; K197-H224 WeakPolarHBondContact CE-CD2 3.45Å; K197-H224 VanDerWaalsContact CE-CG 3.5Å; K197-H224 VanDerWaalsContact CE-NE2 3.3Å; K197-H224 WeakPolarHBondContact CE-NE2 3.48Å; K197-H224 PolarHBondContact NZ-CE1 3.29Å; K197-H224 PolarHBondContact NZ-ND1 2.84Å; K197-H224 PolarHBondContact NZ-NE2 3.38Å; K197-H224 VanDerWaalsContact NZ-NE2 3.1Å
198	S	94.2	Very high	92.3	Very high	43 Å²	43	48.3 Å²	48.3	30%	0.301	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-26.7	174.7	77.4	0	0	0	0	112.7	H183 D195 L196	H183-S198 WeakPolarHBondContact CA-OG 3.44Å; H183-S198 PolarHBondContact CE1-O 3.39Å; H183-S198 VanDerWaalsContact CE1-O 3.27Å; H183-S198 PolarHBondContact ND1-OG 2.77Å; D195-S198 WeakPolarHBondContact O-CB 3.43Å; D195-S198 PolarHBondContact O-N 3.41Å; D195-S198 PolarHBondContact O-OG 2.95Å; D195-S198 PolarHBondContact OD1-N 3.04Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 3.47Å
199	R	92.1	Very high	91.7	Very high	18 Å²	18	48.5 Å²	48.5	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-78.9	-27.8	178	-169.3	62.5	-174.5	162.9	0.6	113	F194 L196 K197 K202 E290	F194-R199 HydrophobicContact CE1-CB 4.05Å; F194-R199 HydrophobicContact CZ-CB 4.47Å; L196-R199 WeakPolarHBondContact O-CB 3.48Å; L196-R199 PolarHBondContact O-N 3.18Å; L196-R199 VanDerWaalsContact O-N 3.1Å; K197-R199 PolarHBondContact O-N 2.79Å; R199-K202 HydrophobicContact CG-CB 4.21Å; R199-K202 WeakPolarHBondContact O-CB 3.33Å; R199-K202 PolarHBondContact O-N 3.49Å; R199-E290 IonicContact CZ-OE2 2.51Å; R199-E290 IonicContact NH2-OE2 3.73Å; R199-E290 PolarHBondContact NH2-OE2 3.34Å
200	G	89.2	Confident	91.2	Very high	47 Å²	47	46.3 Å²	46.3	49%	0.485	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	60.9	-137.1	176.8	0	0	0	0	0	113.3	L196 K197 K202	L196-G200 PolarHBondContact O-N 3.02Å; K197-G200 PolarHBondContact O-N 3.49Å; K197-G200 VanDerWaalsContact O-N 3.14Å; G200-K202 PolarHBondContact O-N 3.08Å
201	D	86.6	Confident	90.6	Very high	152 Å²	152	49.2 Å²	49.2	81%	0.813	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-72.9	-2.7	-177.6	67.9	-22.1	0	0	0	114.4	Y203	D201-Y203 VanDerWaalsContact C-N 3.32Å
202	K	89.9	Confident	89.6	Confident	94 Å²	94	50.8 Å²	50.8	41%	0.409	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-83.3	-5.7	178	-59.5	179.8	-177.1	176.2	0	113.7	R199 G200	R199-K202 HydrophobicContact CG-CB 4.21Å; R199-K202 WeakPolarHBondContact O-CB 3.33Å; R199-K202 PolarHBondContact O-N 3.49Å; G200-K202 PolarHBondContact O-N 3.08Å
203	Y	92.8	Very high	88.5	Confident	27 Å²	27	54.8 Å²	54.8	11%	0.106	34%	0.335	C	S	.	.	S	Bend	trans	-96	145.1	175	-172.3	-98.6	0	0	0	110.9	L196 D201 V210 F228 F279 E283 N284 A287	L196-Y203 HydrophobicContact CD1-CD1 3.81Å; L196-Y203 HydrophobicContact CD1-CD2 3.47Å; L196-Y203 VanDerWaalsContact CD1-CD2 3.47Å; L196-Y203 HydrophobicContact CD1-CE1 3.93Å; L196-Y203 HydrophobicContact CD1-CE2 3.58Å; L196-Y203 HydrophobicContact CD1-CG 3.58Å; L196-Y203 HydrophobicContact CD2-CD1 3.99Å; L196-Y203 HydrophobicContact CD2-CE1 3.95Å; L196-Y203 HydrophobicContact CG-CD1 4.21Å; L196-Y203 HydrophobicContact CG-CE1 4.47Å; L196-Y203 HydrophobicContact CG-CG 4.28Å; D201-Y203 VanDerWaalsContact C-N 3.32Å; Y203-V210 HydrophobicContact CD1-CG1 4.19Å; Y203-V210 HydrophobicContact CD1-CG2 3.97Å; Y203-V210 HydrophobicContact CE1-CG1 3.87Å; Y203-V210 HydrophobicContact CE1-CG2 4.26Å; Y203-F228 HydrophobicContact CE2-CE1 4.25Å; Y203-F279 HydrophobicContact CE1-CE2 4.08Å; Y203-E283 HydrophobicContact CD2-CG 4.18Å; Y203-E283 HydrophobicContact CE1-CG 4.01Å; Y203-E283 HydrophobicContact CE2-CG 3.63Å; Y203-N284 WeakPolarHBondContact CE2-OD1 3.49Å; Y203-N284 PolarHBondContact OH-OD1 3.09Å; Y203-A287 HydrophobicContact CD2-CB 3.81Å; Y203-A287 HydrophobicContact CE2-CB 4.11Å
204	G	91.9	Very high	86.8	Confident	16 Å²	16	60.4 Å²	60.4	17%	0.165	37%	0.371	C	S	.	.			trans	96.3	31.9	-177.9	0	0	0	0	0	113.9	E283	G204-E283 VanDerWaalsContact C-OE2 3.25Å; G204-E283 WeakPolarHBondContact CA-OE1 3.16Å; G204-E283 WeakPolarHBondContact CA-OE2 3.35Å; G204-E283 VanDerWaalsContact N-CD 3.3Å; G204-E283 PolarHBondContact N-OE1 3.37Å
205	K	92.1	Very high	85.1	Confident	65 Å²	65	63.9 Å²	63.9	28%	0.283	41%	0.407	S	S	.	.	S	Bend	trans	-67.7	-32.4	-179.7	-62.3	-163.3	-172.7	179.1	0	113.1	L57 E283 I286 E290 E296	L57-K205 HydrophobicContact CD2-CB 4.16Å; K205-E283 PolarHBondContact N-OE1 3.4Å; K205-E283 PolarHBondContact N-OE2 3.45Å; K205-I286 HydrophobicContact CD-CG2 4.01Å; K205-E290 WeakPolarHBondContact CE-OE2 3.46Å; K205-E290 IonicContact NZ-OE1 3.83Å; K205-E290 PolarHBondContact NZ-OE1 2.94Å; K205-E290 IonicContact NZ-OE2 2.76Å; K205-E290 PolarHBondContact NZ-OE2 3.48Å; K205-E296 PolarHBondContact NZ-O 2.78Å
206	L	92.3	Very high	83.6	Confident	15 Å²	15	66.5 Å²	66.5	8%	0.079	42%	0.418	C	S	.	.	S	Bend	trans	-89.6	-17.7	-178.3	-65.5	174.8	0	0	0	113.1	L57 A278 H282 E283 I286 F302	L57-L206 HydrophobicContact CD2-CD2 3.65Å; L57-L206 HydrophobicContact CD2-CG 4.29Å; L57-L206 HydrophobicContact CG-CD2 4.06Å; L206-A278 WeakPolarHBondContact CD1-O 3.13Å; L206-H282 HydrophobicContact CD1-CB 3.57Å; L206-E283 WeakPolarHBondContact CA-OE2 3.29Å; L206-E283 WeakPolarHBondContact CB-OE2 3.29Å; L206-E283 PolarHBondContact N-OE2 2.88Å; L206-I286 HydrophobicContact CD1-CD1 3.64Å; L206-I286 HydrophobicContact CD2-CD1 4.25Å; L206-I286 HydrophobicContact CG-CD1 3.73Å; L206-F302 HydrophobicContact CD1-CD1 4.32Å; L206-F302 HydrophobicContact CD2-CB 4.11Å; L206-F302 HydrophobicContact CD2-CG 4.23Å
207	V	85.7	Confident	82.4	Confident	29 Å²	29	70.2 Å²	70.2	18%	0.176	44%	0.444	C	S	.	.			trans	-114.7	146	-176.2	-67.7	0	0	0	0	112.6	R59 V209 V210 F279	R59-V207 PolarHBondContact NH2-O 3.12Å; V207-V209 VanDerWaalsContact C-N 3.34Å; V207-V210 HydrophobicContact CG2-CG2 4.05Å; V207-F279 HydrophobicContact CG1-CB 3.57Å; V207-F279 HydrophobicContact CG1-CD2 3.91Å; V207-F279 HydrophobicContact CG1-CG 3.9Å; V207-F279 HydrophobicContact CG2-CD2 4.06Å; V207-F279 HydrophobicContact CG2-CE2 4.49Å
208	G	76.3	Confident	81	Confident	57 Å²	57	69.6 Å²	69.6	59%	0.588	46%	0.463	S	S	*	.	S	Bend	trans	-70.5	-33.7	177.5	0	0	0	0	0	113	R59	R59-G208 VanDerWaalsContact NH1-CA 3.33Å; R59-G208 VanDerWaalsContact NH2-N 3.18Å
209	V	80.8	Confident	79.8	Confident	123 Å²	123	73.5 Å²	73.5	75%	0.745	48%	0.481	S	S	*	.	S	Bend	trans	-141.8	126.2	177.4	178.8	0	0	0	0	106.1	V207 P211	V207-V209 VanDerWaalsContact C-N 3.34Å; V209-P211 VanDerWaalsContact O-CD 3.3Å; V209-P211 WeakPolarHBondContact O-CD 3.15Å
210	V	84	Confident	79.4	Confident	58 Å²	58	74.5 Å²	74.5	35%	0.352	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-66.8	120.6	173.7	178.9	0	0	0	0	107.8	Y203 V207 G212 F279	Y203-V210 HydrophobicContact CD1-CG1 4.19Å; Y203-V210 HydrophobicContact CD1-CG2 3.97Å; Y203-V210 HydrophobicContact CE1-CG1 3.87Å; Y203-V210 HydrophobicContact CE1-CG2 4.26Å; V207-V210 HydrophobicContact CG2-CG2 4.05Å; V210-G212 PolarHBondContact O-N 2.87Å; V210-F279 HydrophobicContact CG1-CE2 4.25Å; V210-F279 HydrophobicContact CG1-CZ 4.3Å
211	P	81.8	Confident	79.5	Confident	71 Å²	71	73.9 Å²	73.9	46%	0.461	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-55	139.7	175.1	-25.8	35.3	0	0	0	111.1	V209 F279	V209-P211 VanDerWaalsContact O-CD 3.3Å; V209-P211 WeakPolarHBondContact O-CD 3.15Å; P211-F279 HydrophobicContact CB-CE1 4.15Å; P211-F279 HydrophobicContact CG-CD1 3.91Å; P211-F279 HydrophobicContact CG-CE1 3.58Å; P211-F279 HydrophobicContact CG-CZ 4.08Å
212	G	75.8	Confident	79.8	Confident	56 Å²	56	69.6 Å²	69.6	58%	0.577	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-60.4	155.4	173.9	0	0	0	0	0	111.4	V210 V214	V210-G212 PolarHBondContact O-N 2.87Å; G212-V214 PolarHBondContact O-N 3.03Å
213	P	75.1	Confident	80	Confident	83 Å²	83	72.3 Å²	72.3	54%	0.539	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-59.9	130.2	177.5	25.8	-33	0	0	0	109.9	A225	P213-A225 HydrophobicContact CB-CB 3.61Å; P213-A225 HydrophobicContact CG-CB 3.95Å
214	V	63.1	Low	79.9	Confident	138 Å²	138	73.8 Å²	73.8	84%	0.836	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-81.4	134.4	169.6	-173.7	0	0	0	0	107	G212	G212-V214 PolarHBondContact O-N 3.03Å
215	G	61.7	Low	79.7	Confident	73 Å²	73	74.7 Å²	74.7	75%	0.753	47%	0.472	S	S	*	.			trans	-36.6	140.6	-166	0	0	0	0	0	116.2
216	E	64.8	Low	79.5	Confident	77 Å²	77	74 Å²	74	36%	0.36	48%	0.475	S	S	.	.			trans	-83.3	144.4	-178.7	-63.3	-161.6	98.7	0	0	112	S220 K222 A225	E216-S220 PolarHBondContact OE1-OG 3.11Å; E216-K222 WeakPolarHBondContact OE1-CD 3.44Å; E216-A225 VanDerWaalsContact CD-CB 3.43Å; E216-A225 HydrophobicContact CG-CB 3.53Å; E216-A225 WeakPolarHBondContact OE1-CA 3.33Å; E216-A225 WeakPolarHBondContact OE2-CB 3.33Å
217	P	67.6	Low	79.6	Confident	99 Å²	99	73.3 Å²	73.3	64%	0.643	47%	0.472	S	S	*	.			trans	-54.9	143.3	164.6	-18.5	29.9	0	0	0	109.9	D219 S220	P217-D219 PolarHBondContact O-N 2.9Å; P217-S220 WeakPolarHBondContact O-CB 3.44Å; P217-S220 PolarHBondContact O-N 3.17Å
218	A	63	Low	80	Confident	120 Å²	120	72.9 Å²	72.9	99%	0.992	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.1	178.3	0	0	0	0	0	113.8
219	D	69.9	Low	80.9	Confident	126 Å²	126	71 Å²	71	67%	0.674	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	15.2	179	-165.8	33.8	0	0	0	113.9	K189 P217 D221	K189-D219 PolarHBondContact NZ-O 3.43Å; K189-D219 IonicContact NZ-OD1 3.48Å; K189-D219 PolarHBondContact NZ-OD1 2.86Å; K189-D219 IonicContact NZ-OD2 3.85Å; K189-D219 PolarHBondContact NZ-OD2 3.26Å; P217-D219 PolarHBondContact O-N 2.9Å; D219-D221 PolarHBondContact O-N 3Å
220	S	83.3	Confident	81.8	Confident	38 Å²	38	65.2 Å²	65.2	27%	0.266	41%	0.411	S	S	.	.			trans	-61.3	131.6	175.2	-169.8	0	0	0	0	110.9	E216 P217 K222	E216-S220 PolarHBondContact OE1-OG 3.11Å; P217-S220 WeakPolarHBondContact O-CB 3.44Å; P217-S220 PolarHBondContact O-N 3.17Å; S220-K222 WeakPolarHBondContact OG-CG 3.24Å
221	D	91.8	Very high	82.4	Confident	34 Å²	34	62.4 Å²	62.4	18%	0.182	39%	0.394	C	S	.	.			trans	-106.8	17.6	174.1	64.5	-26.1	0	0	0	112.5	T187 K189 N191 Y193 D219	T187-D221 WeakPolarHBondContact CB-OD2 3.41Å; T187-D221 HydrophobicContact CG2-CB 4.36Å; T187-D221 WeakPolarHBondContact CG2-O 3.33Å; T187-D221 WeakPolarHBondContact CG2-OD2 3.46Å; T187-D221 PolarHBondContact OG1-OD2 2.97Å; K189-D221 WeakPolarHBondContact CB-OD2 3.26Å; K189-D221 HydrophobicContact CD-CB 3.98Å; N191-D221 PolarHBondContact ND2-OD1 3.41Å; N191-D221 PolarHBondContact ND2-OD2 3.27Å; Y193-D221 WeakPolarHBondContact CE2-OD1 3.36Å; Y193-D221 VanDerWaalsContact CZ-OD1 3.3Å; Y193-D221 PolarHBondContact OH-OD1 3.39Å; D219-D221 PolarHBondContact O-N 3Å
222	K	93.3	Very high	83.1	Confident	63 Å²	63	61.3 Å²	61.3	27%	0.274	38%	0.382	S	S	.	.			trans	-71.5	147	174.5	-61.5	-176.7	-166.6	175.3	0	110.8	Y193 E216 S220 H224 D227	Y193-K222 HydrophobicContact CD1-CD 4.14Å; Y193-K222 HydrophobicContact CD1-CG 3.77Å; Y193-K222 HydrophobicContact CD2-CG 4.1Å; Y193-K222 HydrophobicContact CE1-CD 3.98Å; Y193-K222 HydrophobicContact CE1-CG 3.52Å; Y193-K222 HydrophobicContact CE2-CG 3.83Å; Y193-K222 HydrophobicContact CG-CG 4.06Å; E216-K222 WeakPolarHBondContact OE1-CD 3.44Å; S220-K222 WeakPolarHBondContact OG-CG 3.24Å; K222-H224 VanDerWaalsContact C-N 3.34Å; K222-D227 HydrophobicContact CD-CB 4.2Å; K222-D227 VanDerWaalsContact CD-O 3.32Å; K222-D227 WeakPolarHBondContact CD-O 3.45Å; K222-D227 VanDerWaalsContact CE-O 3.26Å; K222-D227 WeakPolarHBondContact CE-O 3.46Å; K222-D227 PolarHBondContact NZ-O 2.84Å
223	R	92.4	Very high	84	Confident	150 Å²	150	59.7 Å²	59.7	57%	0.566	36%	0.364	S	S	*	.	S	Bend	trans	-65.9	-41.1	166.1	-68.1	176	-175.5	171.8	0.4	110.6	Y185 D195	Y185-R223 HydrophobicContact CD2-CG 4.22Å; Y185-R223 HydrophobicContact CE1-CB 4.26Å; Y185-R223 HydrophobicContact CE1-CG 4.11Å; Y185-R223 HydrophobicContact CE2-CB 4.32Å; Y185-R223 HydrophobicContact CE2-CG 3.65Å; Y185-R223 VanDerWaalsContact CG-CZ 3.43Å; Y185-R223 PolarHBondContact OH-N 3.07Å; D195-R223 IonicContact OD2-NH1 3.3Å
224	H	90.4	Very high	84.8	Confident	58 Å²	58	57.2 Å²	57.2	27%	0.269	35%	0.35	S	S	.	.	S	Bend	trans	-136.9	143.9	-178.8	-60.5	-44.6	0	0	0	112.7	K197 K222 S226 D227	K197-H224 WeakPolarHBondContact CD-CD2 3.38Å; K197-H224 VanDerWaalsContact CD-NE2 3.33Å; K197-H224 WeakPolarHBondContact CD-NE2 3.21Å; K197-H224 WeakPolarHBondContact CE-CD2 3.45Å; K197-H224 VanDerWaalsContact CE-CG 3.5Å; K197-H224 VanDerWaalsContact CE-NE2 3.3Å; K197-H224 WeakPolarHBondContact CE-NE2 3.48Å; K197-H224 PolarHBondContact NZ-CE1 3.29Å; K197-H224 PolarHBondContact NZ-ND1 2.84Å; K197-H224 PolarHBondContact NZ-NE2 3.38Å; K197-H224 VanDerWaalsContact NZ-NE2 3.1Å; K222-H224 VanDerWaalsContact C-N 3.34Å; H224-S226 PolarHBondContact O-N 3.47Å; H224-S226 VanDerWaalsContact O-N 3.15Å; H224-D227 PolarHBondContact N-OD2 3.29Å; H224-D227 VanDerWaalsContact O-CB 3.27Å; H224-D227 WeakPolarHBondContact O-CB 3.48Å; H224-D227 PolarHBondContact O-N 2.81Å
225	A	89.1	Confident	86.1	Confident	36 Å²	36	56.9 Å²	56.9	30%	0.298	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.2	-176.9	0	0	0	0	0	115	P213 E216 D227	P213-A225 HydrophobicContact CB-CB 3.61Å; P213-A225 HydrophobicContact CG-CB 3.95Å; E216-A225 VanDerWaalsContact CD-CB 3.43Å; E216-A225 HydrophobicContact CG-CB 3.53Å; E216-A225 WeakPolarHBondContact OE1-CA 3.33Å; E216-A225 WeakPolarHBondContact OE2-CB 3.33Å; A225-D227 VanDerWaalsContact C-N 3.32Å
226	S	88.5	Confident	87.3	Confident	49 Å²	49	59.2 Å²	59.2	34%	0.343	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.8	177.1	56.7	0	0	0	0	113.8	H224	H224-S226 PolarHBondContact O-N 3.47Å; H224-S226 VanDerWaalsContact O-N 3.15Å
227	D	93.7	Very high	88	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.011	37%	0.368	C	S	.	.			trans	-66.8	144.2	-179.8	-63.8	-13.4	0	0	0	110	Y185 F194 L196 K222 H224 A225	Y185-D227 WeakPolarHBondContact CE1-OD2 3.36Å; Y185-D227 PolarHBondContact OH-OD2 2.92Å; F194-D227 VanDerWaalsContact O-CB 3.26Å; F194-D227 WeakPolarHBondContact O-CB 3.39Å; L196-D227 PolarHBondContact N-OD1 2.8Å; K222-D227 HydrophobicContact CD-CB 4.2Å; K222-D227 VanDerWaalsContact CD-O 3.32Å; K222-D227 WeakPolarHBondContact CD-O 3.45Å; K222-D227 VanDerWaalsContact CE-O 3.26Å; K222-D227 WeakPolarHBondContact CE-O 3.46Å; K222-D227 PolarHBondContact NZ-O 2.84Å; H224-D227 PolarHBondContact N-OD2 3.29Å; H224-D227 VanDerWaalsContact O-CB 3.27Å; H224-D227 WeakPolarHBondContact O-CB 3.48Å; H224-D227 PolarHBondContact O-N 2.81Å; A225-D227 VanDerWaalsContact C-N 3.32Å
228	F	94.1	Very high	89	Confident	20 Å²	20	62.3 Å²	62.3	9%	0.088	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.6	179.7	57.9	-99.2	0	0	0	111.1	Y193 F194 L196 Y203 L230 N284 Q288	Y193-F228 WeakPolarHBondContact CA-O 3.2Å; F194-F228 HydrophobicContact CB-CD1 4.38Å; F194-F228 HydrophobicContact CB-CD2 3.78Å; F194-F228 HydrophobicContact CB-CE1 3.96Å; F194-F228 HydrophobicContact CB-CE2 3.23Å; F194-F228 HydrophobicContact CB-CG 4.32Å; F194-F228 HydrophobicContact CB-CZ 3.37Å; F194-F228 AromaticContact CD1-CE1 3.72Å; F194-F228 HydrophobicContact CD1-CE1 3.72Å; F194-F228 HydrophobicContact CD1-CE2 4.27Å; F194-F228 AromaticContact CD1-CZ 3.48Å; F194-F228 HydrophobicContact CD1-CZ 3.48Å; F194-F228 VanDerWaalsContact CD1-CZ 3.48Å; F194-F228 HydrophobicContact CD2-CE2 4.12Å; F194-F228 AromaticContact CD2-CZ 3.88Å; F194-F228 HydrophobicContact CD2-CZ 3.88Å; F194-F228 HydrophobicContact CE1-CE1 4.46Å; F194-F228 HydrophobicContact CE1-CZ 4.2Å; F194-F228 AromaticContact CG-CE1 3.96Å; F194-F228 HydrophobicContact CG-CE1 3.96Å; F194-F228 AromaticContact CG-CE2 3.64Å; F194-F228 HydrophobicContact CG-CE2 3.64Å; F194-F228 AromaticContact CG-CZ 3.29Å; F194-F228 HydrophobicContact CG-CZ 3.29Å; F194-F228 PolarHBondContact N-O 3.4Å; L196-F228 HydrophobicContact CD1-CD1 4.49Å; L196-F228 HydrophobicContact CD1-CE1 3.93Å; Y203-F228 HydrophobicContact CE2-CE1 4.25Å; F228-L230 HydrophobicContact CD2-CD2 4.22Å; F228-L230 HydrophobicContact CE2-CD2 3.79Å; F228-N284 WeakPolarHBondContact CD1-OD1 3.5Å; F228-N284 HydrophobicContact CD2-CB 4.49Å; F228-N284 HydrophobicContact CE1-CB 4.12Å; F228-N284 VanDerWaalsContact CE1-CG 3.47Å; F228-N284 WeakPolarHBondContact CE1-OD1 3.42Å; F228-N284 HydrophobicContact CE2-CB 4.11Å; F228-N284 HydrophobicContact CZ-CB 3.88Å; F228-Q288 HydrophobicContact CE2-CG 4.08Å; F228-Q288 HydrophobicContact CZ-CG 4.27Å
229	A	95.7	Very high	90.3	Very high	18 Å²	18	59.6 Å²	59.6	15%	0.149	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.6	-174.9	0	0	0	0	0	110.9	Y193 K232	Y193-A229 HydrophobicContact CD1-CB 4.05Å; Y193-A229 HydrophobicContact CE1-CB 3.89Å; A229-K232 HydrophobicContact CB-CG 3.99Å
230	L	97.9	Very high	91.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-38.6	165.2	-59.3	-177.3	0	0	0	110.5	I175 I178 A184 V192 F194 F228 G251 I254 Q288	I175-L230 HydrophobicContact CD1-CB 4.08Å; I175-L230 WeakPolarHBondContact CD1-O 3.42Å; I175-L230 HydrophobicContact CG1-CB 4.07Å; I175-L230 HydrophobicContact CG2-CB 4.27Å; I175-L230 HydrophobicContact CG2-CD1 4.28Å; I178-L230 HydrophobicContact CD1-CD1 4.13Å; I178-L230 HydrophobicContact CG2-CD1 4.12Å; A184-L230 HydrophobicContact CB-CD1 3.61Å; V192-L230 HydrophobicContact CB-CB 4.4Å; V192-L230 HydrophobicContact CG1-CB 4.21Å; V192-L230 HydrophobicContact CG1-CD1 4.27Å; V192-L230 PolarHBondContact O-N 2.96Å; F194-L230 HydrophobicContact CB-CD1 4.17Å; F194-L230 HydrophobicContact CB-CD2 4.04Å; F194-L230 HydrophobicContact CB-CG 4.05Å; F194-L230 HydrophobicContact CD2-CD1 4.37Å; F194-L230 HydrophobicContact CD2-CD2 4.44Å; F228-L230 HydrophobicContact CD2-CD2 4.22Å; F228-L230 HydrophobicContact CE2-CD2 3.79Å; L230-G251 PolarHBondContact O-N 3.14Å; L230-I254 HydrophobicContact CD2-CB 4.28Å; L230-I254 HydrophobicContact CD2-CD1 3.86Å; L230-I254 HydrophobicContact CD2-CG1 4.2Å; L230-I254 WeakPolarHBondContact O-CG2 3.38Å; L230-Q288 HydrophobicContact CD2-CG 4.11Å
231	W	97.9	Very high	92.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.1	176.2	-168.6	-100.1	0	0	0	109.5	I168 I172 I175 N191 V192 W241 S243 W245 G248 P250	I168-W231 HydrophobicContact CG2-CH2 4.12Å; I168-W231 HydrophobicContact CG2-CZ3 4.42Å; I172-W231 HydrophobicContact CD1-CH2 3.96Å; I172-W231 HydrophobicContact CD1-CZ3 4.3Å; I172-W231 HydrophobicContact CG1-CE3 4.44Å; I172-W231 HydrophobicContact CG1-CH2 3.91Å; I172-W231 HydrophobicContact CG1-CZ3 3.74Å; I175-W231 HydrophobicContact CD1-CB 4.21Å; I175-W231 HydrophobicContact CD1-CE3 4.04Å; N191-W231 WeakPolarHBondContact CA-O 3.39Å; V192-W231 HydrophobicContact CB-CB 3.77Å; V192-W231 HydrophobicContact CG2-CB 3.84Å; V192-W231 PolarHBondContact N-O 3.2Å; V192-W231 PolarHBondContact O-N 3.04Å; V192-W231 VanDerWaalsContact O-N 3.07Å; W231-W241 HydrophobicContact CH2-CB 4.19Å; W231-S243 PolarHBondContact NE1-OG 3.48Å; W231-W245 HydrophobicContact CB-CE3 4.29Å; W231-W245 HydrophobicContact CD2-CE3 4.3Å; W231-W245 HydrophobicContact CD2-CZ3 4.38Å; W231-W245 HydrophobicContact CG-CE3 4Å; W231-W245 HydrophobicContact CG-CZ3 4.38Å; W231-G248 VanDerWaalsContact CE2-C 3.47Å; W231-G248 VanDerWaalsContact CZ2-O 3.31Å; W231-G248 WeakPolarHBondContact CZ2-O 3.34Å; W231-P250 HydrophobicContact CE3-CG 4.46Å; W231-P250 HydrophobicContact CZ3-CG 4.03Å
232	K	95.6	Very high	92.4	Very high	47 Å²	47	62.9 Å²	62.9	20%	0.204	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.6	176.7	-68.4	176.6	173.3	176.8	0	108.8	D122 A229 G248 R249	D122-K232 IonicContact OD1-NZ 3.86Å; D122-K232 IonicContact OD2-NZ 2.88Å; D122-K232 PolarHBondContact OD2-NZ 3.33Å; A229-K232 HydrophobicContact CB-CG 3.99Å; K232-G248 CarbonylContact O-C 3.53Å; K232-G248 WeakPolarHBondContact O-CA 3.43Å; K232-R249 HydrophobicContact CB-CG 4.41Å; K232-R249 PolarHBondContact N-O 3.29Å; K232-R249 PolarHBondContact O-N 2.93Å
233	A	95.3	Very high	92.6	Very high	23 Å²	23	61 Å²	61	19%	0.19	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.5	171.6	0	0	0	0	0	110.3	K189 N191	K189-A233 WeakPolarHBondContact O-CB 3.49Å; N191-A233 PolarHBondContact OD1-N 3.35Å
234	A	92.6	Very high	92.8	Very high	30 Å²	30	57.7 Å²	57.7	25%	0.248	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-69.6	134.4	-177.8	0	0	0	0	0	111	F240 P247	A234-F240 HydrophobicContact CB-CB 3.56Å; A234-F240 HydrophobicContact CB-CD1 4.5Å; A234-F240 HydrophobicContact CB-CG 4.25Å; A234-P247 HydrophobicContact CB-CB 4.39Å; A234-P247 PolarHBondContact N-O 3.15Å
235	K	89.8	Confident	93.2	Very high	132 Å²	132	56.7 Å²	56.7	57%	0.574	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-81.5	159.9	167.2	-59.1	-177.3	-168.6	162.7	0	110.1	Q237 E238	K235-Q237 PolarHBondContact O-N 3.38Å; K235-E238 HydrophobicContact CB-CG 3.98Å; K235-E238 WeakPolarHBondContact CD-OE1 3.24Å; K235-E238 WeakPolarHBondContact O-CB 3.38Å; K235-E238 PolarHBondContact O-N 3.48Å; K235-E238 VanDerWaalsContact O-N 3.09Å
236	P	86	Confident	93.6	Very high	122 Å²	122	56.3 Å²	56.3	79%	0.792	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	133.1	175.3	-27.1	35.3	0	0	0	111.3	E238	P236-E238 PolarHBondContact O-N 2.89Å
237	Q	81.4	Confident	94	Very high	207 Å²	207	57.3 Å²	57.3	97%	0.967	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	4.3	178.3	-49.1	173.8	-5.8	0	0	115.7	K235	K235-Q237 PolarHBondContact O-N 3.38Å
238	E	87.8	Confident	94.1	Very high	34 Å²	34	57.2 Å²	57.2	16%	0.159	32%	0.323	C	S	.	.	S	Bend	trans	-78.1	153.8	168.7	-69.9	-170.1	-174.5	0	0	111.6	I125 K235 P236 R249	I125-E238 HydrophobicContact CD1-CG 4.42Å; I125-E238 HydrophobicContact CG2-CG 4.27Å; K235-E238 HydrophobicContact CB-CG 3.98Å; K235-E238 WeakPolarHBondContact CD-OE1 3.24Å; K235-E238 WeakPolarHBondContact O-CB 3.38Å; K235-E238 PolarHBondContact O-N 3.48Å; K235-E238 VanDerWaalsContact O-N 3.09Å; P236-E238 PolarHBondContact O-N 2.89Å; E238-R249 IonicContact OE1-NH2 3.84Å; E238-R249 IonicContact OE2-CZ 3.8Å; E238-R249 IonicContact OE2-NE 2.68Å; E238-R249 PolarHBondContact OE2-NE 3.19Å; E238-R249 IonicContact OE2-NH2 3.86Å; E238-R249 PolarHBondContact OE2-NH2 3.43Å
239	V	89	Confident	94.2	Very high	62 Å²	62	56.5 Å²	56.5	38%	0.376	32%	0.32	S	S	.	.			trans	-65.8	138	168.3	178.9	0	0	0	0	109.1	P135 W241	P135-V239 HydrophobicContact CB-CG2 4.44Å; P135-V239 HydrophobicContact CG-CG2 4.07Å; V239-W241 HydrophobicContact CG1-CH2 3.71Å; V239-W241 HydrophobicContact CG1-CZ2 4.19Å; V239-W241 HydrophobicContact CG1-CZ3 4.01Å
240	F	95.3	Very high	94.3	Very high	120 Å²	120	56 Å²	56	53%	0.526	32%	0.315	S	S	.	.			trans	-147.1	163.7	-178	70.6	-95.5	0	0	0	112.6	A234 P247 G248	A234-F240 HydrophobicContact CB-CB 3.56Å; A234-F240 HydrophobicContact CB-CD1 4.5Å; A234-F240 HydrophobicContact CB-CG 4.25Å; F240-P247 HydrophobicContact CB-CB 4.25Å; F240-P247 HydrophobicContact CD2-CB 3.39Å; F240-P247 HydrophobicContact CE2-CB 3.83Å; F240-P247 HydrophobicContact CG-CB 3.85Å; F240-G248 CarbonylContact C-O 3.52Å; F240-G248 WeakPolarHBondContact CA-O 3.39Å
241	W	97.3	Very high	94	Very high	62 Å²	62	56 Å²	56	24%	0.235	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-123.7	149.6	169.9	-65.1	-99.1	0	0	0	109.7	V120 T165 I168 W231 V239 P247 G248 R249	V120-W241 HydrophobicContact CB-CH2 4.12Å; V120-W241 HydrophobicContact CG1-CH2 4.18Å; V120-W241 HydrophobicContact CG1-CZ3 4.47Å; V120-W241 HydrophobicContact CG2-CH2 3.89Å; V120-W241 HydrophobicContact CG2-CZ3 3.91Å; T165-W241 HydrophobicContact CG2-CH2 3.78Å; T165-W241 HydrophobicContact CG2-CZ2 3.64Å; I168-W241 HydrophobicContact CB-CG 4.32Å; I168-W241 HydrophobicContact CD1-CD2 4.09Å; I168-W241 HydrophobicContact CD1-CE3 4.26Å; I168-W241 HydrophobicContact CG1-CD2 3.94Å; I168-W241 HydrophobicContact CG1-CG 4.05Å; I168-W241 HydrophobicContact CG1-CZ2 4.36Å; I168-W241 HydrophobicContact CG2-CB 3.79Å; I168-W241 HydrophobicContact CG2-CD2 4.37Å; I168-W241 HydrophobicContact CG2-CG 3.74Å; W231-W241 HydrophobicContact CH2-CB 4.19Å; V239-W241 HydrophobicContact CG1-CH2 3.71Å; V239-W241 HydrophobicContact CG1-CZ2 4.19Å; V239-W241 HydrophobicContact CG1-CZ3 4.01Å; W241-P247 WeakPolarHBondContact O-CA 3.4Å; W241-G248 PolarHBondContact N-O 3.2Å; W241-G248 PolarHBondContact O-N 3.37Å; W241-R249 HydrophobicContact CE3-CB 3.97Å; W241-R249 HydrophobicContact CZ3-CB 3.83Å
242	A	97	Very high	93.1	Very high	86 Å²	86	60.5 Å²	60.5	71%	0.711	33%	0.332	S	S	*	.			trans	-70.2	138.2	172.4	0	0	0	0	0	109.9	I172	I172-A242 WeakPolarHBondContact CD1-O 3.36Å
243	S	97.8	Very high	92.8	Very high	22 Å²	22	58.9 Å²	58.9	15%	0.154	33%	0.325	C	S	.	.			trans	-144.7	167.2	176.2	81.1	0	0	0	0	110.4	W231 W245 G246	W231-S243 PolarHBondContact NE1-OG 3.48Å; S243-W245 PolarHBondContact O-N 3.42Å; S243-W245 VanDerWaalsContact O-N 3.09Å; S243-W245 PolarHBondContact OG-N 2.82Å; S243-G246 PolarHBondContact N-O 3.39Å; S243-G246 PolarHBondContact O-N 2.87Å; S243-G246 PolarHBondContact OG-N 2.83Å; S243-G246 PolarHBondContact OG-O 2.74Å
244	P	97.9	Very high	92.9	Very high	81 Å²	81	57.8 Å²	57.8	53%	0.526	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.9	173	-23.8	33.2	0	0	0	114.1	I172 E176	I172-P244 HydrophobicContact CG2-CG 4.21Å; E176-P244 VanDerWaalsContact OE1-CG 3.25Å; E176-P244 WeakPolarHBondContact OE1-CG 3.4Å
245	W	97.8	Very high	93.1	Very high	38 Å²	38	56.6 Å²	56.6	14%	0.144	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.2	-179	-41.2	-70.6	0	0	0	112.9	I172 I175 E176 I179 S186 G190 V192 W231 S243	I172-W245 HydrophobicContact CG2-CH2 4.06Å; I172-W245 HydrophobicContact CG2-CZ3 4.1Å; I175-W245 HydrophobicContact CB-CH2 3.6Å; I175-W245 HydrophobicContact CB-CZ2 4.33Å; I175-W245 HydrophobicContact CB-CZ3 4.21Å; I175-W245 HydrophobicContact CD1-CZ3 4.34Å; I175-W245 HydrophobicContact CG2-CH2 3.31Å; I175-W245 HydrophobicContact CG2-CZ2 3.67Å; I175-W245 HydrophobicContact CG2-CZ3 3.89Å; E176-W245 HydrophobicContact CG-CH2 3.96Å; E176-W245 HydrophobicContact CG-CZ2 3.79Å; I179-W245 HydrophobicContact CD1-CZ2 3.54Å; S186-W245 VanDerWaalsContact CB-CD1 3.48Å; G190-W245 WeakPolarHBondContact CA-O 3.27Å; V192-W245 HydrophobicContact CG2-CB 4.09Å; V192-W245 HydrophobicContact CG2-CD2 3.32Å; V192-W245 HydrophobicContact CG2-CE3 3.68Å; V192-W245 HydrophobicContact CG2-CG 3.46Å; V192-W245 VanDerWaalsContact CG2-CG 3.46Å; V192-W245 HydrophobicContact CG2-CZ2 4.41Å; V192-W245 HydrophobicContact CG2-CZ3 4.36Å; W231-W245 HydrophobicContact CB-CE3 4.29Å; W231-W245 HydrophobicContact CD2-CE3 4.3Å; W231-W245 HydrophobicContact CD2-CZ3 4.38Å; W231-W245 HydrophobicContact CG-CE3 4Å; W231-W245 HydrophobicContact CG-CZ3 4.38Å; S243-W245 PolarHBondContact O-N 3.42Å; S243-W245 VanDerWaalsContact O-N 3.09Å; S243-W245 PolarHBondContact OG-N 2.82Å
246	G	96.7	Very high	93.4	Very high	27 Å²	27	50.5 Å²	50.5	28%	0.278	28%	0.279	S	S	.	.			trans	99.9	-176.7	-175.9	0	0	0	0	0	113.6	S243 G248	S243-G246 PolarHBondContact N-O 3.39Å; S243-G246 PolarHBondContact O-N 2.87Å; S243-G246 PolarHBondContact OG-N 2.83Å; S243-G246 PolarHBondContact OG-O 2.74Å; G246-G248 PolarHBondContact O-N 3.04Å
247	P	96.9	Very high	94	Very high	71 Å²	71	44.7 Å²	44.7	46%	0.461	24%	0.241	S	C	.	.	S	Bend	trans	-65.9	130.4	179	27.7	-33.7	0	0	0	111.1	A234 F240 W241	A234-P247 HydrophobicContact CB-CB 4.39Å; A234-P247 PolarHBondContact N-O 3.15Å; F240-P247 HydrophobicContact CB-CB 4.25Å; F240-P247 HydrophobicContact CD2-CB 3.39Å; F240-P247 HydrophobicContact CE2-CB 3.83Å; F240-P247 HydrophobicContact CG-CB 3.85Å; W241-P247 WeakPolarHBondContact O-CA 3.4Å
248	G	96.8	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-159.5	178.2	0	0	0	0	0	113	W231 K232 F240 W241 G246	W231-G248 VanDerWaalsContact CE2-C 3.47Å; W231-G248 VanDerWaalsContact CZ2-O 3.31Å; W231-G248 WeakPolarHBondContact CZ2-O 3.34Å; K232-G248 CarbonylContact O-C 3.53Å; K232-G248 WeakPolarHBondContact O-CA 3.43Å; F240-G248 CarbonylContact C-O 3.52Å; F240-G248 WeakPolarHBondContact CA-O 3.39Å; W241-G248 PolarHBondContact N-O 3.2Å; W241-G248 PolarHBondContact O-N 3.37Å; G246-G248 PolarHBondContact O-N 3.04Å
249	R	96.4	Very high	95.2	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.019	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163.1	179.2	60.7	-176.3	163.9	82.6	2	111.3	D122 K232 E238 W241	D122-R249 IonicContact OD1-CZ 2.7Å; D122-R249 IonicContact OD1-NH1 3.25Å; D122-R249 PolarHBondContact OD1-NH1 3.07Å; D122-R249 IonicContact OD1-NH2 3.42Å; D122-R249 PolarHBondContact OD1-NH2 3.34Å; K232-R249 HydrophobicContact CB-CG 4.41Å; K232-R249 PolarHBondContact N-O 3.29Å; K232-R249 PolarHBondContact O-N 2.93Å; E238-R249 IonicContact OE1-NH2 3.84Å; E238-R249 IonicContact OE2-CZ 3.8Å; E238-R249 IonicContact OE2-NE 2.68Å; E238-R249 PolarHBondContact OE2-NE 3.19Å; E238-R249 IonicContact OE2-NH2 3.86Å; E238-R249 PolarHBondContact OE2-NH2 3.43Å; W241-R249 HydrophobicContact CE3-CB 3.97Å; W241-R249 HydrophobicContact CZ3-CB 3.83Å
250	P	96.8	Very high	95.6	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.045	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	145.9	176.7	-25.2	35.8	0	0	0	113	V164 I168 I171 W231 I254	V164-P250 HydrophobicContact CG1-CB 4.47Å; V164-P250 HydrophobicContact CG1-CG 4.06Å; I168-P250 HydrophobicContact CD1-CG 3.53Å; I171-P250 HydrophobicContact CD1-CB 4.48Å; I171-P250 HydrophobicContact CD1-CG 3.91Å; I171-P250 HydrophobicContact CG2-CB 4.12Å; I171-P250 HydrophobicContact CG2-CG 3.95Å; W231-P250 HydrophobicContact CE3-CG 4.46Å; W231-P250 HydrophobicContact CZ3-CG 4.03Å; P250-I254 HydrophobicContact CB-CG2 3.82Å
251	G	91.2	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-74.2	157.8	162.3	0	0	0	0	0	111	L230 I254	L230-G251 PolarHBondContact O-N 3.14Å; G251-I254 WeakPolarHBondContact O-CG2 3.4Å
252	W	79.1	Confident	95.7	Very high	94 Å²	94	26 Å²	26	36%	0.356	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	148.6	167.7	-165.8	38.9	0	0	0	108.5	I254 L277 H281	W252-I254 PolarHBondContact O-N 2.97Å; W252-L277 HydrophobicContact CZ2-CD2 4.23Å; W252-H281 AromaticContact CE2-ND1 3.64Å; W252-H281 AromaticContact CZ2-ND1 3.96Å; W252-H281 AromaticContact NE1-CE1 3.64Å; W252-H281 AromaticContact NE1-ND1 3.59Å
253	H	89.6	Confident	95.6	Very high	14 Å²	14	24.9 Å²	24.9	7%	0.065	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-51.2	-172.7	-37	-54.5	0	0	0	116.1	E255 C256 S257 H281 N284	H253-E255 PolarHBondContact O-N 3.03Å; H253-E255 VanDerWaalsContact O-N 3.16Å; H253-C256 PolarHBondContact O-N 3.49Å; H253-S257 PolarHBondContact O-N 2.85Å; H253-H281 AromaticContact CE1-ND1 3.69Å; H253-H281 AromaticContact CG-ND1 3.94Å; H253-H281 VanDerWaalsContact ND1-CA 3.3Å; H253-H281 WeakPolarHBondContact ND1-CA 3.27Å; H253-H281 AromaticContact ND1-CE1 3.99Å; H253-H281 AromaticContact ND1-CG 3.47Å; H253-H281 AromaticContact ND1-ND1 2.9Å; H253-H281 PolarHBondContact ND1-ND1 3.41Å; H253-N284 HydrophobicContact CB-CB 3.89Å; H253-N284 PolarHBondContact CD2-ND2 3.19Å; H253-N284 PolarHBondContact NE2-ND2 3.07Å
254	I	97.1	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-29.5	-171.9	-162.9	52.6	0	0	0	113.4	I171 F174 I175 I178 L230 P250 G251 W252 S257 A258 Q288	I171-I254 HydrophobicContact CG2-CG1 4.31Å; I171-I254 HydrophobicContact CG2-CG2 3.85Å; F174-I254 HydrophobicContact CD1-CD1 3.52Å; F174-I254 HydrophobicContact CD1-CG1 4.44Å; F174-I254 HydrophobicContact CE1-CD1 3.76Å; I175-I254 HydrophobicContact CD1-CG1 4.05Å; I175-I254 HydrophobicContact CD1-CG2 4.48Å; I175-I254 HydrophobicContact CG1-CD1 4.21Å; I175-I254 HydrophobicContact CG1-CG1 3.67Å; I178-I254 HydrophobicContact CD1-CD1 3.87Å; L230-I254 HydrophobicContact CD2-CB 4.28Å; L230-I254 HydrophobicContact CD2-CD1 3.86Å; L230-I254 HydrophobicContact CD2-CG1 4.2Å; L230-I254 WeakPolarHBondContact O-CG2 3.38Å; P250-I254 HydrophobicContact CB-CG2 3.82Å; G251-I254 WeakPolarHBondContact O-CG2 3.4Å; W252-I254 PolarHBondContact O-N 2.97Å; I254-S257 PolarHBondContact O-N 3.49Å; I254-A258 WeakPolarHBondContact O-CB 3.43Å; I254-A258 PolarHBondContact O-N 2.62Å; I254-Q288 VanDerWaalsContact CA-OE1 3.31Å; I254-Q288 HydrophobicContact CD1-CB 4.38Å; I254-Q288 HydrophobicContact CD1-CG 4.14Å
255	E	96.4	Very high	95.4	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-44.7	178.5	64.7	-166.2	-163	0	0	112	T118 V164 I171 H253 I259	T118-E255 WeakPolarHBondContact CB-OE1 3.39Å; T118-E255 WeakPolarHBondContact CG2-OE1 3.3Å; T118-E255 PolarHBondContact OG1-OE1 2.77Å; V164-E255 HydrophobicContact CB-CB 4.43Å; V164-E255 HydrophobicContact CG1-CB 3.9Å; V164-E255 HydrophobicContact CG2-CB 3.66Å; V164-E255 HydrophobicContact CG2-CG 4Å; V164-E255 WeakPolarHBondContact CG2-OE2 3.38Å; I171-E255 HydrophobicContact CD1-CB 4.28Å; H253-E255 PolarHBondContact O-N 3.03Å; H253-E255 VanDerWaalsContact O-N 3.16Å; E255-I259 VanDerWaalsContact O-CB 3.29Å; E255-I259 WeakPolarHBondContact O-CB 3.49Å; E255-I259 WeakPolarHBondContact O-CD1 3.38Å; E255-I259 WeakPolarHBondContact O-CG1 3.32Å; E255-I259 PolarHBondContact O-N 3.19Å
256	C	97.1	Very high	95.3	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.027	14%	0.14	C	C	.	.	H	α-helix	trans	-68	-45.5	179.9	-70.4	0	0	0	0	110.7	Y75 H253 A258 I259 A260 E285	Y75-C256 HydrophobicContact CE1-CB 3.91Å; Y75-C256 WeakPolarHBondContact OH-CA 3.43Å; Y75-C256 PolarHBondContact OH-SG 2.93Å; Y75-C256 VanDerWaalsContact OH-SG 3.38Å; H253-C256 PolarHBondContact O-N 3.49Å; C256-A258 PolarHBondContact O-N 3.3Å; C256-I259 PolarHBondContact O-N 3.09Å; C256-A260 WeakPolarHBondContact O-CB 3.1Å; C256-A260 PolarHBondContact O-N 3.2Å; C256-E285 VanDerWaalsContact CB-CD 3.42Å; C256-E285 HydrophobicContact CB-CG 4.11Å; C256-E285 VanDerWaalsContact CB-OE2 3.26Å; C256-E285 WeakPolarHBondContact CB-OE2 3.42Å
257	S	98.3	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.4	-50.2	175.2	-60.8	0	0	0	0	113	H253 I254 S261 E285 Q288 C289	H253-S257 PolarHBondContact O-N 2.85Å; I254-S257 PolarHBondContact O-N 3.49Å; S257-S261 WeakPolarHBondContact O-CB 3.36Å; S257-S261 PolarHBondContact O-N 3.33Å; S257-S261 PolarHBondContact O-OG 2.72Å; S257-E285 VanDerWaalsContact OG-CA 3.28Å; S257-E285 WeakPolarHBondContact OG-CA 3.24Å; S257-E285 WeakPolarHBondContact OG-CG 3.21Å; S257-Q288 PolarHBondContact OG-OE1 3.37Å; S257-C289 WeakPolarHBondContact CB-SG 3.23Å
258	A	98.1	Very high	94.8	Very high	4 Å²	4	25 Å²	25	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-68.1	-44.5	-177.9	0	0	0	0	0	111.7	I171 F174 I254 C256 S261 M262	I171-A258 HydrophobicContact CB-CB 4.3Å; I171-A258 HydrophobicContact CG1-CB 3.63Å; F174-A258 HydrophobicContact CB-CB 3.96Å; F174-A258 HydrophobicContact CD1-CB 4.41Å; F174-A258 HydrophobicContact CD2-CB 4.35Å; F174-A258 HydrophobicContact CG-CB 4.01Å; I254-A258 WeakPolarHBondContact O-CB 3.43Å; I254-A258 PolarHBondContact O-N 2.62Å; C256-A258 PolarHBondContact O-N 3.3Å; A258-S261 PolarHBondContact O-N 2.96Å; A258-M262 VanDerWaalsContact O-CB 3.28Å; A258-M262 WeakPolarHBondContact O-CB 3.36Å; A258-M262 PolarHBondContact O-N 3.37Å
259	I	97.5	Very high	94.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-46.8	179.5	-69.9	171.9	0	0	0	110.7	Y75 V114 L162 V164 N167 E255 C256 M262 V263	Y75-I259 HydrophobicContact CE2-CB 4.47Å; Y75-I259 HydrophobicContact CE2-CG2 3.94Å; V114-I259 HydrophobicContact CG1-CG2 4.27Å; L162-I259 HydrophobicContact CB-CD1 4.45Å; L162-I259 HydrophobicContact CB-CG2 3.7Å; L162-I259 HydrophobicContact CD1-CG2 3.53Å; L162-I259 HydrophobicContact CG-CG2 4.24Å; V164-I259 HydrophobicContact CG2-CD1 4.28Å; N167-I259 HydrophobicContact CB-CG1 4.16Å; E255-I259 VanDerWaalsContact O-CB 3.29Å; E255-I259 WeakPolarHBondContact O-CB 3.49Å; E255-I259 WeakPolarHBondContact O-CD1 3.38Å; E255-I259 WeakPolarHBondContact O-CG1 3.32Å; E255-I259 PolarHBondContact O-N 3.19Å; C256-I259 PolarHBondContact O-N 3.09Å; I259-M262 PolarHBondContact O-N 3.45Å; I259-V263 PolarHBondContact O-N 2.89Å
260	A	97.4	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-43.2	178.5	0	0	0	0	0	111.2	Y75 C256 M262 V263 F264 W298	Y75-A260 HydrophobicContact CD1-CB 4.25Å; Y75-A260 HydrophobicContact CD2-CB 3.5Å; Y75-A260 VanDerWaalsContact CD2-CB 3.5Å; Y75-A260 HydrophobicContact CE1-CB 4.5Å; Y75-A260 HydrophobicContact CE2-CB 3.8Å; Y75-A260 HydrophobicContact CG-CB 3.74Å; C256-A260 WeakPolarHBondContact O-CB 3.1Å; C256-A260 PolarHBondContact O-N 3.2Å; A260-M262 PolarHBondContact O-N 2.79Å; A260-V263 PolarHBondContact O-N 3.06Å; A260-F264 PolarHBondContact O-N 2.9Å; A260-W298 HydrophobicContact CB-CH2 4.1Å; A260-W298 HydrophobicContact CB-CZ2 3.65Å
261	S	96.7	Very high	95.1	Very high	11 Å²	11	24.8 Å²	24.8	8%	0.077	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-33.8	177	-64.6	0	0	0	0	113.2	F174 S257 A258 V263 G265 H293	F174-S261 WeakPolarHBondContact CE2-OG 3.49Å; S257-S261 WeakPolarHBondContact O-CB 3.36Å; S257-S261 PolarHBondContact O-N 3.33Å; S257-S261 PolarHBondContact O-OG 2.72Å; A258-S261 PolarHBondContact O-N 2.96Å; S261-V263 VanDerWaalsContact C-N 3.27Å; S261-V263 PolarHBondContact O-N 3.1Å; S261-G265 WeakPolarHBondContact O-CA 3.4Å; S261-G265 PolarHBondContact O-N 3.16Å; S261-H293 VanDerWaalsContact CB-NE2 3.32Å; S261-H293 WeakPolarHBondContact CB-NE2 3.45Å; S261-H293 PolarHBondContact OG-NE2 3.46Å
262	M	96.3	Very high	95.4	Very high	78 Å²	78	24.8 Å²	24.8	38%	0.384	13%	0.132	S	C	.	.	H	α-helix	trans	-62.4	-36.8	175.7	178.4	-174.9	63.7	0	0	111.6	L162 N167 Q170 A258 I259 A260	L162-M262 HydrophobicContact CD1-CE 3.75Å; N167-M262 WeakPolarHBondContact OD1-CE 3.32Å; N167-M262 PolarHBondContact OD1-SD 2.91Å; Q170-M262 HydrophobicContact CB-SD 4.44Å; Q170-M262 HydrophobicContact CG-CG 4.45Å; Q170-M262 HydrophobicContact CG-SD 3.75Å; A258-M262 VanDerWaalsContact O-CB 3.28Å; A258-M262 WeakPolarHBondContact O-CB 3.36Å; A258-M262 PolarHBondContact O-N 3.37Å; I259-M262 PolarHBondContact O-N 3.45Å; A260-M262 PolarHBondContact O-N 2.79Å
263	V	95.8	Very high	96.3	Very high	61 Å²	61	20.4 Å²	20.4	37%	0.37	12%	0.116	S	C	.	.	H	α-helix	trans	-90.3	-42.7	-176.7	-174.7	0	0	0	0	112.4	V114 L162 I259 A260 S261	V114-V263 HydrophobicContact CG1-CG2 4.48Å; V114-V263 HydrophobicContact CG2-CB 4.19Å; V114-V263 HydrophobicContact CG2-CG1 3.77Å; V114-V263 HydrophobicContact CG2-CG2 4.2Å; L162-V263 HydrophobicContact CD1-CG2 3.68Å; I259-V263 PolarHBondContact O-N 2.89Å; A260-V263 PolarHBondContact O-N 3.06Å; S261-V263 VanDerWaalsContact C-N 3.27Å; S261-V263 PolarHBondContact O-N 3.1Å
264	F	96.6	Very high	96.5	Very high	36 Å²	36	20.1 Å²	20.1	16%	0.158	12%	0.117	C	C	.	.	H	α-helix	trans	-110.9	-5.7	-171.1	-56.6	-55.8	0	0	0	113.9	S73 V112 V114 A260 Q267 L268	S73-F264 VanDerWaalsContact CB-CD1 3.47Å; V112-F264 HydrophobicContact CB-CE1 4.42Å; V112-F264 HydrophobicContact CG1-CE1 4.04Å; V112-F264 HydrophobicContact CG1-CZ 4.31Å; V112-F264 WeakPolarHBondContact O-CZ 3.45Å; V114-F264 HydrophobicContact CB-CE2 3.89Å; V114-F264 HydrophobicContact CB-CZ 4.11Å; V114-F264 HydrophobicContact CG2-CE1 4.33Å; V114-F264 HydrophobicContact CG2-CE2 3.59Å; V114-F264 HydrophobicContact CG2-CZ 3.4Å; V114-F264 VanDerWaalsContact CG2-CZ 3.4Å; A260-F264 PolarHBondContact O-N 2.9Å; F264-Q267 VanDerWaalsContact O-O 3.11Å; F264-L268 HydrophobicContact CB-CD1 4.48Å; F264-L268 HydrophobicContact CD2-CD1 3.66Å; F264-L268 HydrophobicContact CE2-CD1 4.06Å; F264-L268 HydrophobicContact CG-CD1 4.18Å
265	G	95.8	Very high	96.4	Very high	26 Å²	26	23.5 Å²	23.5	27%	0.268	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-136.6	-178.9	0	0	0	0	0	112.3	S261 Q267 H293 W298	S261-G265 WeakPolarHBondContact O-CA 3.4Å; S261-G265 PolarHBondContact O-N 3.16Å; G265-Q267 VanDerWaalsContact C-N 3.33Å; G265-H293 PolarHBondContact O-CE1 3.06Å; G265-H293 PolarHBondContact O-NE2 3.48Å; G265-H293 VanDerWaalsContact O-NE2 3.08Å; G265-W298 PolarHBondContact O-NE1 3.41Å
266	S	94.2	Very high	96.1	Very high	53 Å²	53	27 Å²	27	37%	0.371	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.4	-175.3	54.3	0	0	0	0	114.3
267	Q	87.4	Confident	96	Very high	127 Å²	127	28.1 Å²	28.1	59%	0.593	16%	0.159	S	C	*	.			trans	-130.6	116.6	-176.2	-63.5	-174.6	9.1	0	0	110.7	F264 G265	F264-Q267 VanDerWaalsContact O-O 3.11Å; G265-Q267 VanDerWaalsContact C-N 3.33Å
268	L	97.1	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.2	174.3	177.6	64.9	0	0	0	109.9	F264 H271 W298 G299 N300	F264-L268 HydrophobicContact CB-CD1 4.48Å; F264-L268 HydrophobicContact CD2-CD1 3.66Å; F264-L268 HydrophobicContact CE2-CD1 4.06Å; F264-L268 HydrophobicContact CG-CD1 4.18Å; L268-H271 HydrophobicContact CD2-CB 3.83Å; L268-W298 HydrophobicContact CD2-CH2 3.9Å; L268-W298 HydrophobicContact CD2-CZ2 3.86Å; L268-W298 HydrophobicContact CD2-CZ3 4.44Å; L268-W298 PolarHBondContact N-O 2.88Å; L268-G299 CarbonylContact O-C 3.58Å; L268-G299 WeakPolarHBondContact O-CA 3.41Å; L268-N300 PolarHBondContact O-N 2.67Å; L268-N300 PolarHBondContact O-ND2 2.85Å
269	D	98.4	Very high	95.7	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-64.2	175.2	-58.5	-67.9	0	0	0	109.2	V66 A67 T72 S73 Y301	V66-D269 WeakPolarHBondContact CA-OD1 3.2Å; V66-D269 HydrophobicContact CG1-CB 4.49Å; A67-D269 PolarHBondContact N-OD1 3.08Å; T72-D269 HydrophobicContact CG2-CB 4.09Å; S73-D269 PolarHBondContact N-OD2 3.43Å; S73-D269 WeakPolarHBondContact O-CB 3.35Å; S73-D269 PolarHBondContact OG-N 3.48Å; S73-D269 PolarHBondContact OG-OD2 3.17Å; D269-Y301 VanDerWaalsContact O-CD2 3.23Å; D269-Y301 WeakPolarHBondContact O-CD2 3.34Å; D269-Y301 PolarHBondContact O-N 3.01Å
270	I	98.6	Very high	95.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.4	-170.9	-57.9	176.5	0	0	0	110.9	L64 T72 S73 W74 Y75 L103 L303	L64-I270 HydrophobicContact CD1-CD1 4.37Å; L64-I270 HydrophobicContact CD1-CG1 4.49Å; T72-I270 HydrophobicContact CG2-CD1 4.43Å; S73-I270 PolarHBondContact O-N 3.31Å; W74-I270 CarbonylContact C-O 3.55Å; W74-I270 VanDerWaalsContact CA-O 3.28Å; W74-I270 WeakPolarHBondContact CA-O 3.37Å; W74-I270 HydrophobicContact CB-CB 4.29Å; W74-I270 HydrophobicContact CD2-CB 3.94Å; W74-I270 HydrophobicContact CD2-CD1 4.29Å; W74-I270 HydrophobicContact CD2-CG2 3.59Å; W74-I270 VanDerWaalsContact CE2-CG2 3.45Å; W74-I270 HydrophobicContact CE3-CB 4.37Å; W74-I270 HydrophobicContact CE3-CD1 3.84Å; W74-I270 HydrophobicContact CE3-CG2 4.15Å; W74-I270 HydrophobicContact CG-CB 3.88Å; W74-I270 HydrophobicContact CG-CG2 3.87Å; W74-I270 HydrophobicContact CH2-CG2 4.49Å; W74-I270 HydrophobicContact CZ2-CG2 3.95Å; W74-I270 HydrophobicContact CZ3-CD1 4.15Å; Y75-I270 PolarHBondContact N-O 2.94Å; L103-I270 HydrophobicContact CD1-CD1 3.98Å; I270-L303 HydrophobicContact CG2-CD1 3.83Å; I270-L303 HydrophobicContact CG2-CD2 4.11Å; I270-L303 HydrophobicContact CG2-CG 4.5Å
271	H	98.7	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.2	167.6	-161.4	-69.7	0	0	0	109.9	Y75 C77 L268 H282 E285 W298 Y301 F302 L303	Y75-H271 AromaticContact CD1-CD2 3.85Å; Y75-H271 AromaticContact CD1-CE1 3.9Å; Y75-H271 AromaticContact CD1-NE2 3.29Å; Y75-H271 VanDerWaalsContact CD1-NE2 3.29Å; Y75-H271 WeakPolarHBondContact CD1-NE2 3.29Å; Y75-H271 AromaticContact CE1-NE2 3.91Å; Y75-H271 CarbonylContact O-C 3.47Å; Y75-H271 WeakPolarHBondContact O-CA 3.3Å; C77-H271 VanDerWaalsContact SG-CE1 3.55Å; L268-H271 HydrophobicContact CD2-CB 3.83Å; H271-H282 AromaticContact CE1-CD2 3.29Å; H271-H282 PolarHBondContact CE1-CD2 2.9Å; H271-H282 AromaticContact CE1-CE1 3.9Å; H271-H282 AromaticContact CE1-CG 3.94Å; H271-H282 AromaticContact CE1-NE2 3.31Å; H271-H282 PolarHBondContact CE1-NE2 3.27Å; H271-H282 VanDerWaalsContact CE1-NE2 3.31Å; H271-H282 AromaticContact ND1-CD2 3.72Å; H271-H282 AromaticContact ND1-CE1 3.67Å; H271-H282 AromaticContact ND1-CG 3.99Å; H271-H282 AromaticContact ND1-ND1 3.92Å; H271-H282 AromaticContact ND1-NE2 3.55Å; H271-E285 IonicContact CE1-OE2 3.91Å; H271-E285 IonicContact NE2-OE2 3.74Å; H271-E285 PolarHBondContact NE2-OE2 2.95Å; H271-W298 AromaticContact CD2-CH2 3.61Å; H271-W298 AromaticContact CD2-CZ3 3.86Å; H271-W298 AromaticContact NE2-CH2 3.94Å; H271-Y301 PolarHBondContact N-O 2.98Å; H271-F302 HydrophobicContact CB-CD1 3.73Å; H271-F302 HydrophobicContact CB-CE1 3.67Å; H271-F302 HydrophobicContact CB-CG 4.19Å; H271-F302 HydrophobicContact CB-CZ 4.1Å; H271-F302 AromaticContact CG-CD1 3.99Å; H271-F302 AromaticContact CG-CE1 3.68Å; H271-F302 WeakPolarHBondContact O-CA 3.36Å; H271-L303 PolarHBondContact O-N 3.14Å
272	S	98.3	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	-176.8	66.5	0	0	0	0	115.1	W74 Y75 S76 C77 L303	W74-S272 PolarHBondContact NE1-OG 3.32Å; Y75-S272 PolarHBondContact O-N 3.41Å; S76-S272 WeakPolarHBondContact CB-OG 3.34Å; S76-S272 PolarHBondContact OG-OG 2.91Å; C77-S272 PolarHBondContact N-O 3.46Å; S272-L303 VanDerWaalsContact CA-O 3.3Å; S272-L303 WeakPolarHBondContact CA-O 3.3Å
273	G	96.8	Very high	95.6	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-177.5	172.8	0	0	0	0	0	113	F96 L303 H304 S305	F96-G273 WeakPolarHBondContact CE2-O 3.12Å; F96-G273 WeakPolarHBondContact CZ-O 3.46Å; G273-L303 PolarHBondContact N-O 2.91Å; G273-H304 VanDerWaalsContact O-CA 3.29Å; G273-H304 WeakPolarHBondContact O-CA 3.46Å; G273-S305 PolarHBondContact O-N 3.38Å
274	G	94.9	Very high	95.6	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	152.4	169.5	0	0	0	0	0	111.4	D276 L277 H304	G274-D276 PolarHBondContact O-N 2.69Å; G274-D276 VanDerWaalsContact O-N 3.15Å; G274-L277 WeakPolarHBondContact O-CA 3.43Å; G274-L277 WeakPolarHBondContact O-CB 3.36Å; G274-L277 PolarHBondContact O-N 2.9Å; G274-H304 PolarHBondContact O-CD2 2.75Å
275	I	93.8	Very high	95.7	Very high	71 Å²	71	24.7 Å²	24.7	36%	0.364	14%	0.141	S	C	.	.	H	α-helix	trans	-60.2	-22.8	177.8	-173.4	62.4	0	0	0	113.5	L277 A278 H304 S305 H307	I275-L277 PolarHBondContact O-N 2.87Å; I275-A278 HydrophobicContact CD1-CB 4.1Å; I275-A278 VanDerWaalsContact O-CB 3.28Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 3.4Å; I275-H304 HydrophobicContact CB-CB 4.18Å; I275-H304 HydrophobicContact CD1-CB 3.71Å; I275-S305 WeakPolarHBondContact CB-O 3.36Å; I275-S305 WeakPolarHBondContact CG2-O 3.4Å; I275-S305 PolarHBondContact N-O 2.94Å; I275-H307 WeakPolarHBondContact CG2-CE1 3.25Å; I275-H307 WeakPolarHBondContact CG2-NE2 3.43Å
276	D	91.2	Very high	95.8	Very high	76 Å²	76	23.6 Å²	23.6	41%	0.406	13%	0.129	S	C	.	.	H	α-helix	trans	-66.9	-20.1	169.6	47.7	-50.4	0	0	0	113.9	G274 F279 H307 K316	G274-D276 PolarHBondContact O-N 2.69Å; G274-D276 VanDerWaalsContact O-N 3.15Å; D276-F279 VanDerWaalsContact O-O 3.1Å; D276-H307 IonicContact OD1-CE1 3.49Å; D276-H307 PolarHBondContact OD1-CE1 3.05Å; D276-H307 IonicContact OD1-ND1 3.41Å; D276-K316 IonicContact OD1-NZ 2.62Å; D276-K316 PolarHBondContact OD1-NZ 3.21Å; D276-K316 IonicContact OD2-NZ 3.39Å; D276-K316 PolarHBondContact OD2-NZ 3.4Å
277	L	95.1	Very high	95.9	Very high	29 Å²	29	21.1 Å²	21.1	15%	0.152	11%	0.112	C	C	.	.	H	α-helix	trans	-84.8	-15.3	174.5	-59.4	-178.3	0	0	0	112.2	C77 W252 G274 I275 F279 H281 H282	C77-L277 HydrophobicContact CB-CD1 3.65Å; W252-L277 HydrophobicContact CZ2-CD2 4.23Å; G274-L277 WeakPolarHBondContact O-CA 3.43Å; G274-L277 WeakPolarHBondContact O-CB 3.36Å; G274-L277 PolarHBondContact O-N 2.9Å; I275-L277 PolarHBondContact O-N 2.87Å; L277-F279 PolarHBondContact O-N 2.82Å; L277-H281 HydrophobicContact CB-CB 4.3Å; L277-H281 HydrophobicContact CD2-CB 4.13Å; L277-H281 CarbonylContact O-C 3.47Å; L277-H281 WeakPolarHBondContact O-CB 3.49Å; L277-H281 PolarHBondContact O-N 3.38Å; L277-H282 PolarHBondContact O-N 3.2Å
278	A	95.3	Very high	96.4	Very high	10 Å²	10	15.1 Å²	15.1	8%	0.083	8%	0.084	C	C	.	.	I	π-helix	trans	-55.4	-41.8	177.2	0	0	0	0	0	111.6	L206 I275 E283 H304	L206-A278 WeakPolarHBondContact CD1-O 3.13Å; I275-A278 HydrophobicContact CD1-CB 4.1Å; I275-A278 VanDerWaalsContact O-CB 3.28Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 3.4Å; A278-E283 PolarHBondContact O-N 3.48Å; A278-H304 VanDerWaalsContact CA-NE2 3.32Å; A278-H304 WeakPolarHBondContact CA-NE2 3.34Å; A278-H304 WeakPolarHBondContact CB-NE2 3.46Å
279	F	94.3	Very high	96.5	Very high	58 Å²	58	15.1 Å²	15.1	25%	0.254	8%	0.084	S	C	.	.	I	π-helix	trans	-140.5	134.3	173	-173.9	-86.9	0	0	0	111.5	Y203 V207 V210 P211 D276 L277 E283	Y203-F279 HydrophobicContact CE1-CE2 4.08Å; V207-F279 HydrophobicContact CG1-CB 3.57Å; V207-F279 HydrophobicContact CG1-CD2 3.91Å; V207-F279 HydrophobicContact CG1-CG 3.9Å; V207-F279 HydrophobicContact CG2-CD2 4.06Å; V207-F279 HydrophobicContact CG2-CE2 4.49Å; V210-F279 HydrophobicContact CG1-CE2 4.25Å; V210-F279 HydrophobicContact CG1-CZ 4.3Å; P211-F279 HydrophobicContact CB-CE1 4.15Å; P211-F279 HydrophobicContact CG-CD1 3.91Å; P211-F279 HydrophobicContact CG-CE1 3.58Å; P211-F279 HydrophobicContact CG-CZ 4.08Å; D276-F279 VanDerWaalsContact O-O 3.1Å; L277-F279 PolarHBondContact O-N 2.82Å; F279-E283 HydrophobicContact CD2-CB 3.91Å; F279-E283 HydrophobicContact CD2-CG 4Å; F279-E283 HydrophobicContact CE2-CB 4.48Å; F279-E283 HydrophobicContact CE2-CG 4.25Å
280	P	94.1	Very high	96.4	Very high	43 Å²	43	15.2 Å²	15.2	28%	0.279	8%	0.084	S	C	.	.	I	π-helix	cis	-85.7	-5.4	1.2	34.2	-35.7	0	0	0	113.8	N284	P280-N284 VanDerWaalsContact O-CB 3.29Å; P280-N284 WeakPolarHBondContact O-CB 3.28Å; P280-N284 PolarHBondContact O-N 2.76Å; P280-N284 PolarHBondContact O-ND2 3.45Å; P280-N284 PolarHBondContact O-OD1 3.45Å
281	H	96.1	Very high	96.4	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	8%	0.084	C	C	.	.	I	π-helix	trans	-65.8	-64.8	-160.8	-174.4	85.4	0	0	0	114.4	C77 W252 H253 L277 E283 N284 E285	C77-H281 PolarHBondContact SG-NE2 3.03Å; C77-H281 VanDerWaalsContact SG-NE2 3.39Å; W252-H281 AromaticContact CE2-ND1 3.64Å; W252-H281 AromaticContact CZ2-ND1 3.96Å; W252-H281 AromaticContact NE1-CE1 3.64Å; W252-H281 AromaticContact NE1-ND1 3.59Å; H253-H281 AromaticContact CE1-ND1 3.69Å; H253-H281 AromaticContact CG-ND1 3.94Å; H253-H281 VanDerWaalsContact ND1-CA 3.3Å; H253-H281 WeakPolarHBondContact ND1-CA 3.27Å; H253-H281 AromaticContact ND1-CE1 3.99Å; H253-H281 AromaticContact ND1-CG 3.47Å; H253-H281 AromaticContact ND1-ND1 2.9Å; H253-H281 PolarHBondContact ND1-ND1 3.41Å; L277-H281 HydrophobicContact CB-CB 4.3Å; L277-H281 HydrophobicContact CD2-CB 4.13Å; L277-H281 CarbonylContact O-C 3.47Å; L277-H281 WeakPolarHBondContact O-CB 3.49Å; L277-H281 PolarHBondContact O-N 3.38Å; H281-E283 VanDerWaalsContact C-N 3.27Å; H281-E283 PolarHBondContact O-N 2.91Å; H281-N284 WeakPolarHBondContact O-CB 3.29Å; H281-N284 PolarHBondContact O-N 3.15Å; H281-N284 VanDerWaalsContact O-N 3.14Å; H281-E285 IonicContact CD2-OE1 2.75Å; H281-E285 PolarHBondContact CD2-OE1 2.83Å; H281-E285 IonicContact CE1-OE1 3.79Å; H281-E285 IonicContact CG-OE1 2.69Å; H281-E285 IonicContact ND1-OE1 3.39Å; H281-E285 IonicContact NE2-OE1 3.15Å; H281-E285 PolarHBondContact NE2-OE1 3.3Å; H281-E285 WeakPolarHBondContact O-CG 3.31Å; H281-E285 PolarHBondContact O-N 3.06Å
282	H	97.7	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-65.3	-30.4	177.9	-62.5	166.8	0	0	0	112.5	C77 L206 H271 L277 N284 E285 I286 F302 H304	C77-H282 PolarHBondContact SG-NE2 2.86Å; L206-H282 HydrophobicContact CD1-CB 3.57Å; H271-H282 AromaticContact CE1-CD2 3.29Å; H271-H282 PolarHBondContact CE1-CD2 2.9Å; H271-H282 AromaticContact CE1-CE1 3.9Å; H271-H282 AromaticContact CE1-CG 3.94Å; H271-H282 AromaticContact CE1-NE2 3.31Å; H271-H282 PolarHBondContact CE1-NE2 3.27Å; H271-H282 VanDerWaalsContact CE1-NE2 3.31Å; H271-H282 AromaticContact ND1-CD2 3.72Å; H271-H282 AromaticContact ND1-CE1 3.67Å; H271-H282 AromaticContact ND1-CG 3.99Å; H271-H282 AromaticContact ND1-ND1 3.92Å; H271-H282 AromaticContact ND1-NE2 3.55Å; L277-H282 PolarHBondContact O-N 3.2Å; H282-N284 VanDerWaalsContact C-N 3.33Å; H282-E285 IonicContact CD2-OE1 3.75Å; H282-E285 PolarHBondContact CD2-OE1 2.84Å; H282-E285 PolarHBondContact O-N 3.11Å; H282-I286 WeakPolarHBondContact O-CD1 3.35Å; H282-I286 VanDerWaalsContact O-CG1 3.25Å; H282-I286 WeakPolarHBondContact O-CG1 3.41Å; H282-I286 PolarHBondContact O-N 3.08Å; H282-F302 HydrophobicContact CB-CD1 4.18Å; H282-F302 HydrophobicContact CB-CE1 4.12Å; H282-H304 AromaticContact CE1-CD2 3.81Å; H282-H304 AromaticContact CE1-NE2 3.48Å; H282-H304 PolarHBondContact CE1-NE2 2.64Å; H282-H304 AromaticContact CG-NE2 3.87Å; H282-H304 AromaticContact ND1-CD2 3.56Å; H282-H304 AromaticContact ND1-CE1 3.73Å; H282-H304 AromaticContact ND1-NE2 2.77Å; H282-H304 PolarHBondContact ND1-NE2 2.7Å
283	E	96.6	Very high	96.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-43.7	173.4	-171.9	67.8	-122.4	0	0	111.4	Y203 G204 K205 L206 A278 F279 H281 A287	Y203-E283 HydrophobicContact CD2-CG 4.18Å; Y203-E283 HydrophobicContact CE1-CG 4.01Å; Y203-E283 HydrophobicContact CE2-CG 3.63Å; G204-E283 VanDerWaalsContact C-OE2 3.25Å; G204-E283 WeakPolarHBondContact CA-OE1 3.16Å; G204-E283 WeakPolarHBondContact CA-OE2 3.35Å; G204-E283 VanDerWaalsContact N-CD 3.3Å; G204-E283 PolarHBondContact N-OE1 3.37Å; K205-E283 PolarHBondContact N-OE1 3.4Å; K205-E283 PolarHBondContact N-OE2 3.45Å; L206-E283 WeakPolarHBondContact CA-OE2 3.29Å; L206-E283 WeakPolarHBondContact CB-OE2 3.29Å; L206-E283 PolarHBondContact N-OE2 2.88Å; A278-E283 PolarHBondContact O-N 3.48Å; F279-E283 HydrophobicContact CD2-CB 3.91Å; F279-E283 HydrophobicContact CD2-CG 4Å; F279-E283 HydrophobicContact CE2-CB 4.48Å; F279-E283 HydrophobicContact CE2-CG 4.25Å; H281-E283 VanDerWaalsContact C-N 3.27Å; H281-E283 PolarHBondContact O-N 2.91Å; E283-A287 PolarHBondContact O-N 2.77Å; E283-A287 VanDerWaalsContact O-N 3.13Å
284	N	97.1	Very high	96.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-39	174.9	-71.4	-12.3	0	0	0	111.5	Y203 F228 H253 P280 H281 H282 A287 Q288	Y203-N284 WeakPolarHBondContact CE2-OD1 3.49Å; Y203-N284 PolarHBondContact OH-OD1 3.09Å; F228-N284 WeakPolarHBondContact CD1-OD1 3.5Å; F228-N284 HydrophobicContact CD2-CB 4.49Å; F228-N284 HydrophobicContact CE1-CB 4.12Å; F228-N284 VanDerWaalsContact CE1-CG 3.47Å; F228-N284 WeakPolarHBondContact CE1-OD1 3.42Å; F228-N284 HydrophobicContact CE2-CB 4.11Å; F228-N284 HydrophobicContact CZ-CB 3.88Å; H253-N284 HydrophobicContact CB-CB 3.89Å; H253-N284 PolarHBondContact CD2-ND2 3.19Å; H253-N284 PolarHBondContact NE2-ND2 3.07Å; P280-N284 VanDerWaalsContact O-CB 3.29Å; P280-N284 WeakPolarHBondContact O-CB 3.28Å; P280-N284 PolarHBondContact O-N 2.76Å; P280-N284 PolarHBondContact O-ND2 3.45Å; P280-N284 PolarHBondContact O-OD1 3.45Å; H281-N284 WeakPolarHBondContact O-CB 3.29Å; H281-N284 PolarHBondContact O-N 3.15Å; H281-N284 VanDerWaalsContact O-N 3.14Å; H282-N284 VanDerWaalsContact C-N 3.33Å; N284-A287 PolarHBondContact O-N 3.13Å; N284-Q288 WeakPolarHBondContact O-CB 3.18Å; N284-Q288 VanDerWaalsContact O-CD 3.26Å; N284-Q288 WeakPolarHBondContact O-CG 3.28Å; N284-Q288 PolarHBondContact O-N 3Å
285	E	98	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-45.3	176.9	-69.1	171.7	-121.7	0	0	112.4	C256 S257 H271 H281 H282 A287 Q288 C289 W298	C256-E285 VanDerWaalsContact CB-CD 3.42Å; C256-E285 HydrophobicContact CB-CG 4.11Å; C256-E285 VanDerWaalsContact CB-OE2 3.26Å; C256-E285 WeakPolarHBondContact CB-OE2 3.42Å; S257-E285 VanDerWaalsContact OG-CA 3.28Å; S257-E285 WeakPolarHBondContact OG-CA 3.24Å; S257-E285 WeakPolarHBondContact OG-CG 3.21Å; H271-E285 IonicContact CE1-OE2 3.91Å; H271-E285 IonicContact NE2-OE2 3.74Å; H271-E285 PolarHBondContact NE2-OE2 2.95Å; H281-E285 IonicContact CD2-OE1 2.75Å; H281-E285 PolarHBondContact CD2-OE1 2.83Å; H281-E285 IonicContact CE1-OE1 3.79Å; H281-E285 IonicContact CG-OE1 2.69Å; H281-E285 IonicContact ND1-OE1 3.39Å; H281-E285 IonicContact NE2-OE1 3.15Å; H281-E285 PolarHBondContact NE2-OE1 3.3Å; H281-E285 WeakPolarHBondContact O-CG 3.31Å; H281-E285 PolarHBondContact O-N 3.06Å; H282-E285 IonicContact CD2-OE1 3.75Å; H282-E285 PolarHBondContact CD2-OE1 2.84Å; H282-E285 PolarHBondContact O-N 3.11Å; E285-A287 VanDerWaalsContact C-N 3.29Å; E285-A287 PolarHBondContact O-N 3.02Å; E285-Q288 PolarHBondContact O-N 3.29Å; E285-C289 VanDerWaalsContact O-CB 3.29Å; E285-C289 WeakPolarHBondContact O-CB 3.39Å; E285-C289 PolarHBondContact O-N 3.22Å; E285-C289 PolarHBondContact O-SG 3.19Å; E285-C289 VanDerWaalsContact O-SG 3.37Å; E285-W298 HydrophobicContact CB-CZ3 4.23Å
286	I	97.3	Very high	96.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-54.7	-49	173.6	-71.2	163.1	0	0	0	110	L57 K205 L206 H282 Q288 E290 F302	L57-I286 HydrophobicContact CD2-CD1 3.76Å; K205-I286 HydrophobicContact CD-CG2 4.01Å; L206-I286 HydrophobicContact CD1-CD1 3.64Å; L206-I286 HydrophobicContact CD2-CD1 4.25Å; L206-I286 HydrophobicContact CG-CD1 3.73Å; H282-I286 WeakPolarHBondContact O-CD1 3.35Å; H282-I286 VanDerWaalsContact O-CG1 3.25Å; H282-I286 WeakPolarHBondContact O-CG1 3.41Å; H282-I286 PolarHBondContact O-N 3.08Å; I286-Q288 PolarHBondContact O-N 2.88Å; I286-E290 HydrophobicContact CG2-CG 4.34Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.28Å; I286-E290 VanDerWaalsContact O-CB 3.24Å; I286-E290 WeakPolarHBondContact O-CB 3.26Å; I286-E290 VanDerWaalsContact O-CG 3.23Å; I286-E290 WeakPolarHBondContact O-CG 3.35Å; I286-E290 PolarHBondContact O-N 3.08Å; I286-F302 HydrophobicContact CD1-CD1 4.37Å; I286-F302 HydrophobicContact CD1-CE1 3.82Å; I286-F302 HydrophobicContact CD1-CE2 4Å; I286-F302 HydrophobicContact CD1-CZ 3.61Å; I286-F302 HydrophobicContact CG1-CE1 3.83Å; I286-F302 HydrophobicContact CG1-CE2 4.05Å; I286-F302 HydrophobicContact CG1-CZ 3.37Å
287	A	97.1	Very high	96.3	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-43.5	-179.4	0	0	0	0	0	112.5	F194 Y203 E283 N284 E285 V291	F194-A287 HydrophobicContact CE1-CB 4.28Å; F194-A287 HydrophobicContact CZ-CB 3.94Å; Y203-A287 HydrophobicContact CD2-CB 3.81Å; Y203-A287 HydrophobicContact CE2-CB 4.11Å; E283-A287 PolarHBondContact O-N 2.77Å; E283-A287 VanDerWaalsContact O-N 3.13Å; N284-A287 PolarHBondContact O-N 3.13Å; E285-A287 VanDerWaalsContact C-N 3.29Å; E285-A287 PolarHBondContact O-N 3.02Å; A287-V291 VanDerWaalsContact O-CB 3.31Å; A287-V291 WeakPolarHBondContact O-CB 3.3Å; A287-V291 WeakPolarHBondContact O-CG2 3.46Å; A287-V291 PolarHBondContact O-N 3.04Å
288	Q	98.4	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-49.6	179.5	-70.7	162.5	15.7	0	0	111.7	F174 I178 F194 F228 L230 I254 S257 N284 E285 I286 V291 F292	F174-Q288 HydrophobicContact CE1-CB 4.18Å; I178-Q288 HydrophobicContact CD1-CB 4.04Å; I178-Q288 HydrophobicContact CD1-CG 4.18Å; F194-Q288 HydrophobicContact CD2-CG 4.13Å; F194-Q288 HydrophobicContact CE2-CG 4.31Å; F228-Q288 HydrophobicContact CE2-CG 4.08Å; F228-Q288 HydrophobicContact CZ-CG 4.27Å; L230-Q288 HydrophobicContact CD2-CG 4.11Å; I254-Q288 VanDerWaalsContact CA-OE1 3.31Å; I254-Q288 HydrophobicContact CD1-CB 4.38Å; I254-Q288 HydrophobicContact CD1-CG 4.14Å; S257-Q288 PolarHBondContact OG-OE1 3.37Å; N284-Q288 WeakPolarHBondContact O-CB 3.18Å; N284-Q288 VanDerWaalsContact O-CD 3.26Å; N284-Q288 WeakPolarHBondContact O-CG 3.28Å; N284-Q288 PolarHBondContact O-N 3Å; E285-Q288 PolarHBondContact O-N 3.29Å; I286-Q288 PolarHBondContact O-N 2.88Å; Q288-V291 PolarHBondContact O-N 2.99Å; Q288-F292 WeakPolarHBondContact O-CB 3.21Å; Q288-F292 PolarHBondContact O-N 3.2Å
289	C	98.4	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-44.6	-178.8	-70	0	0	0	0	112.7	S257 E285 V291 F292 H293 W298	S257-C289 WeakPolarHBondContact CB-SG 3.23Å; E285-C289 VanDerWaalsContact O-CB 3.29Å; E285-C289 WeakPolarHBondContact O-CB 3.39Å; E285-C289 PolarHBondContact O-N 3.22Å; E285-C289 PolarHBondContact O-SG 3.19Å; E285-C289 VanDerWaalsContact O-SG 3.37Å; C289-V291 VanDerWaalsContact C-N 3.28Å; C289-V291 PolarHBondContact O-N 2.91Å; C289-F292 PolarHBondContact O-N 2.91Å; C289-H293 WeakPolarHBondContact O-CB 3.35Å; C289-H293 PolarHBondContact O-CD2 2.85Å; C289-H293 PolarHBondContact O-N 3Å; C289-W298 HydrophobicContact CB-CB 3.91Å; C289-W298 HydrophobicContact CB-CD2 3.3Å; C289-W298 HydrophobicContact CB-CE3 3.74Å; C289-W298 HydrophobicContact CB-CG 3.35Å; C289-W298 HydrophobicContact CB-CZ2 4.36Å; C289-W298 HydrophobicContact CB-CZ3 4.41Å; C289-W298 VanDerWaalsContact SG-CZ2 3.57Å
290	E	97.4	Very high	96.5	Very high	7 Å²	7	22 Å²	22	3%	0.033	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-34.7	178.7	-73.4	178.1	176.9	0	0	112.4	R199 K205 I286 Q294 C295 E296 W298	R199-E290 IonicContact CZ-OE2 2.51Å; R199-E290 IonicContact NH2-OE2 3.73Å; R199-E290 PolarHBondContact NH2-OE2 3.34Å; K205-E290 WeakPolarHBondContact CE-OE2 3.46Å; K205-E290 IonicContact NZ-OE1 3.83Å; K205-E290 PolarHBondContact NZ-OE1 2.94Å; K205-E290 IonicContact NZ-OE2 2.76Å; K205-E290 PolarHBondContact NZ-OE2 3.48Å; I286-E290 HydrophobicContact CG2-CG 4.34Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.28Å; I286-E290 VanDerWaalsContact O-CB 3.24Å; I286-E290 WeakPolarHBondContact O-CB 3.26Å; I286-E290 VanDerWaalsContact O-CG 3.23Å; I286-E290 WeakPolarHBondContact O-CG 3.35Å; I286-E290 PolarHBondContact O-N 3.08Å; E290-Q294 WeakPolarHBondContact O-CA 3.23Å; E290-Q294 PolarHBondContact O-N 3.15Å; E290-C295 WeakPolarHBondContact CB-O 3.47Å; E290-C295 PolarHBondContact O-N 3.48Å; E290-E296 VanDerWaalsContact OE1-O 3.14Å; E290-W298 HydrophobicContact CG-CB 3.87Å
291	V	97.7	Very high	96.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-47.7	172.2	162.5	0	0	0	0	111.1	I178 H181 H183 F194 A287 Q288 C289 Q294	I178-V291 HydrophobicContact CB-CG1 4.34Å; I178-V291 HydrophobicContact CG1-CG1 4.26Å; I178-V291 HydrophobicContact CG2-CG1 3.96Å; H181-V291 HydrophobicContact CB-CG1 4.12Å; H181-V291 PolarHBondContact ND1-O 3.14Å; H183-V291 HydrophobicContact CB-CB 4.49Å; H183-V291 HydrophobicContact CB-CG1 3.61Å; H183-V291 HydrophobicContact CB-CG2 4.1Å; H183-V291 VanDerWaalsContact CD2-CG1 3.47Å; H183-V291 WeakPolarHBondContact CD2-CG1 3.42Å; F194-V291 HydrophobicContact CE2-CB 4.49Å; F194-V291 HydrophobicContact CE2-CG2 4.25Å; F194-V291 HydrophobicContact CZ-CG2 4.03Å; A287-V291 VanDerWaalsContact O-CB 3.31Å; A287-V291 WeakPolarHBondContact O-CB 3.3Å; A287-V291 WeakPolarHBondContact O-CG2 3.46Å; A287-V291 PolarHBondContact O-N 3.04Å; Q288-V291 PolarHBondContact O-N 2.99Å; C289-V291 VanDerWaalsContact C-N 3.28Å; C289-V291 PolarHBondContact O-N 2.91Å; V291-Q294 PolarHBondContact O-N 3.33Å; V291-Q294 PolarHBondContact O-NE2 2.78Å
292	F	98.5	Very high	96.8	Very high	40 Å²	40	19.8 Å²	19.8	18%	0.175	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-46.7	-177.8	179.6	-93.9	0	0	0	111.7	F174 I178 H181 Q288 C289 Q294	F174-F292 HydrophobicContact CB-CD2 4.47Å; F174-F292 HydrophobicContact CB-CE2 4.35Å; F174-F292 HydrophobicContact CD1-CD2 4.31Å; F174-F292 HydrophobicContact CD1-CG 4.44Å; F174-F292 HydrophobicContact CD2-CB 4.25Å; F174-F292 AromaticContact CD2-CD1 3.59Å; F174-F292 HydrophobicContact CD2-CD1 3.59Å; F174-F292 AromaticContact CD2-CD2 3.61Å; F174-F292 HydrophobicContact CD2-CD2 3.61Å; F174-F292 AromaticContact CD2-CE1 3.74Å; F174-F292 HydrophobicContact CD2-CE1 3.74Å; F174-F292 AromaticContact CD2-CE2 3.77Å; F174-F292 HydrophobicContact CD2-CE2 3.77Å; F174-F292 AromaticContact CD2-CG 3.52Å; F174-F292 HydrophobicContact CD2-CG 3.52Å; F174-F292 AromaticContact CD2-CZ 3.82Å; F174-F292 HydrophobicContact CD2-CZ 3.82Å; F174-F292 HydrophobicContact CE1-CB 3.97Å; F174-F292 HydrophobicContact CE1-CG 4.24Å; F174-F292 HydrophobicContact CE2-CB 3.61Å; F174-F292 AromaticContact CE2-CD1 3.22Å; F174-F292 HydrophobicContact CE2-CD1 3.22Å; F174-F292 AromaticContact CE2-CD2 3.85Å; F174-F292 HydrophobicContact CE2-CD2 3.85Å; F174-F292 AromaticContact CE2-CE1 3.79Å; F174-F292 HydrophobicContact CE2-CE1 3.79Å; F174-F292 HydrophobicContact CE2-CE2 4.36Å; F174-F292 AromaticContact CE2-CG 3.25Å; F174-F292 HydrophobicContact CE2-CG 3.25Å; F174-F292 HydrophobicContact CE2-CZ 4.32Å; F174-F292 AromaticContact CG-CD2 3.88Å; F174-F292 HydrophobicContact CG-CD2 3.88Å; F174-F292 HydrophobicContact CG-CE2 4.13Å; F174-F292 HydrophobicContact CG-CG 4.13Å; F174-F292 HydrophobicContact CZ-CB 3.47Å; F174-F292 VanDerWaalsContact CZ-CB 3.47Å; F174-F292 HydrophobicContact CZ-CD1 4.01Å; F174-F292 HydrophobicContact CZ-CD2 4.33Å; F174-F292 AromaticContact CZ-CG 3.67Å; F174-F292 HydrophobicContact CZ-CG 3.67Å; F174-F292 WeakPolarHBondContact O-CD2 3.49Å; I178-F292 HydrophobicContact CG1-CB 4.3Å; H181-F292 PolarHBondContact CE1-O 3.43Å; H181-F292 VanDerWaalsContact CE1-O 3.31Å; Q288-F292 WeakPolarHBondContact O-CB 3.21Å; Q288-F292 PolarHBondContact O-N 3.2Å; C289-F292 PolarHBondContact O-N 2.91Å; F292-Q294 VanDerWaalsContact C-N 3.3Å; F292-Q294 PolarHBondContact O-N 3.15Å
293	H	97.9	Very high	96.9	Very high	45 Å²	45	19.9 Å²	19.9	21%	0.208	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.4	-178.8	-66.5	-64.3	0	0	0	114.2	S261 G265 C289 C295 W298	S261-H293 VanDerWaalsContact CB-NE2 3.32Å; S261-H293 WeakPolarHBondContact CB-NE2 3.45Å; S261-H293 PolarHBondContact OG-NE2 3.46Å; G265-H293 PolarHBondContact O-CE1 3.06Å; G265-H293 PolarHBondContact O-NE2 3.48Å; G265-H293 VanDerWaalsContact O-NE2 3.08Å; C289-H293 WeakPolarHBondContact O-CB 3.35Å; C289-H293 PolarHBondContact O-CD2 2.85Å; C289-H293 PolarHBondContact O-N 3Å; H293-C295 VanDerWaalsContact C-N 3.26Å; H293-C295 HydrophobicContact CB-CB 4.48Å; H293-C295 PolarHBondContact O-N 3.21Å; H293-W298 AromaticContact CD2-CD1 3.88Å
294	Q	96.4	Very high	96.9	Very high	122 Å²	122	20.1 Å²	20.1	57%	0.57	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.7	-175.8	-63.9	-70.9	-62.1	0	0	112.4	H181 E290 V291 F292	H181-Q294 PolarHBondContact CD2-NE2 3.06Å; H181-Q294 PolarHBondContact ND1-NE2 2.99Å; E290-Q294 WeakPolarHBondContact O-CA 3.23Å; E290-Q294 PolarHBondContact O-N 3.15Å; V291-Q294 PolarHBondContact O-N 3.33Å; V291-Q294 PolarHBondContact O-NE2 2.78Å; F292-Q294 VanDerWaalsContact C-N 3.3Å; F292-Q294 PolarHBondContact O-N 3.15Å
295	C	94.3	Very high	96.9	Very high	33 Å²	33	20.1 Å²	20.1	22%	0.223	10%	0.099	C	C	.	.			trans	-121.1	162.2	-178.2	73.6	0	0	0	0	112.5	E290 H293	E290-C295 WeakPolarHBondContact CB-O 3.47Å; E290-C295 PolarHBondContact O-N 3.48Å; H293-C295 VanDerWaalsContact C-N 3.26Å; H293-C295 HydrophobicContact CB-CB 4.48Å; H293-C295 PolarHBondContact O-N 3.21Å
296	E	91.4	Very high	96.7	Very high	104 Å²	104	20.5 Å²	20.5	49%	0.486	10%	0.102	S	C	.	.	S	Bend	trans	-89	-21.5	179	-59.8	-158.4	177.8	0	0	113.8	R39 L42 K205 E290	R39-E296 IonicContact CZ-OE1 3.7Å; R39-E296 IonicContact CZ-OE2 2.7Å; R39-E296 IonicContact NH1-OE1 3.85Å; R39-E296 PolarHBondContact NH1-OE1 2.92Å; R39-E296 IonicContact NH1-OE2 3.73Å; R39-E296 PolarHBondContact NH1-OE2 2.93Å; L42-E296 HydrophobicContact CD1-CB 4.21Å; K205-E296 PolarHBondContact NZ-O 2.78Å; E290-E296 VanDerWaalsContact OE1-O 3.14Å
297	Q	93.6	Very high	96.2	Very high	31 Å²	31	22.8 Å²	22.8	15%	0.145	11%	0.113	C	C	.	.			trans	-147.3	111.9	-179.7	-180	172.6	-64.4	0	0	108.6	L42 G299 N300	L42-Q297 HydrophobicContact CD1-CB 4.24Å; L42-Q297 PolarHBondContact O-NE2 2.82Å; L42-Q297 PolarHBondContact O-OE1 3.47Å; Q297-G299 WeakPolarHBondContact CG-O 3.48Å; Q297-N300 PolarHBondContact NE2-OD1 3.4Å
298	W	95.5	Very high	95.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.008	11%	0.113	C	C	.	.	S	Bend	trans	-85.4	-49.7	177	166.3	62.7	0	0	0	112.5	A260 G265 L268 H271 E285 C289 E290 H293 F302	A260-W298 HydrophobicContact CB-CH2 4.1Å; A260-W298 HydrophobicContact CB-CZ2 3.65Å; G265-W298 PolarHBondContact O-NE1 3.41Å; L268-W298 HydrophobicContact CD2-CH2 3.9Å; L268-W298 HydrophobicContact CD2-CZ2 3.86Å; L268-W298 HydrophobicContact CD2-CZ3 4.44Å; L268-W298 PolarHBondContact N-O 2.88Å; H271-W298 AromaticContact CD2-CH2 3.61Å; H271-W298 AromaticContact CD2-CZ3 3.86Å; H271-W298 AromaticContact NE2-CH2 3.94Å; E285-W298 HydrophobicContact CB-CZ3 4.23Å; C289-W298 HydrophobicContact CB-CB 3.91Å; C289-W298 HydrophobicContact CB-CD2 3.3Å; C289-W298 HydrophobicContact CB-CE3 3.74Å; C289-W298 HydrophobicContact CB-CG 3.35Å; C289-W298 HydrophobicContact CB-CZ2 4.36Å; C289-W298 HydrophobicContact CB-CZ3 4.41Å; C289-W298 VanDerWaalsContact SG-CZ2 3.57Å; E290-W298 HydrophobicContact CG-CB 3.87Å; H293-W298 AromaticContact CD2-CD1 3.88Å; W298-F302 HydrophobicContact CE3-CZ 4.15Å; W298-F302 HydrophobicContact CZ3-CZ 4.08Å
299	G	96.1	Very high	94.7	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.3	178.1	0	0	0	0	0	112	L57 L268 Q297	L57-G299 WeakPolarHBondContact CD1-O 3.22Å; L268-G299 CarbonylContact O-C 3.58Å; L268-G299 WeakPolarHBondContact O-CA 3.41Å; Q297-G299 WeakPolarHBondContact CG-O 3.48Å
300	N	97.1	Very high	93.3	Very high	19 Å²	19	26.2 Å²	26.2	10%	0.102	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-43.6	-176.6	-66.4	-37.3	0	0	0	112.4	W41 P44 N55 L268 Q297	W41-N300 PolarHBondContact NE1-O 2.9Å; P44-N300 HydrophobicContact CB-CB 4.45Å; P44-N300 HydrophobicContact CG-CB 4.08Å; N55-N300 PolarHBondContact ND2-O 2.83Å; L268-N300 PolarHBondContact O-N 2.67Å; L268-N300 PolarHBondContact O-ND2 2.85Å; Q297-N300 PolarHBondContact NE2-OD1 3.4Å
301	Y	98.3	Very high	91.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124	-177.4	-49.9	-84.5	0	0	0	111.2	W41 P44 V53 N55 E62 P63 L64 I65 D269 H271	W41-Y301 HydrophobicContact CH2-CE1 4.35Å; W41-Y301 HydrophobicContact CZ2-CD1 4.48Å; W41-Y301 AromaticContact CZ2-CE1 3.64Å; W41-Y301 HydrophobicContact CZ2-CE1 3.64Å; W41-Y301 AromaticContact CZ2-CZ 3.91Å; P44-Y301 HydrophobicContact CG-CE2 4.06Å; P44-Y301 WeakPolarHBondContact CG-OH 2.98Å; V53-Y301 HydrophobicContact CG1-CD1 3.52Å; V53-Y301 HydrophobicContact CG1-CE1 3.98Å; V53-Y301 HydrophobicContact CG1-CG 4.16Å; N55-Y301 HydrophobicContact CB-CD1 4.42Å; E62-Y301 HydrophobicContact CB-CE1 4.19Å; P63-Y301 PolarHBondContact O-OH 3.45Å; L64-Y301 HydrophobicContact CD1-CD1 4.39Å; L64-Y301 HydrophobicContact CD1-CD2 3.6Å; L64-Y301 HydrophobicContact CD1-CE1 4.35Å; L64-Y301 HydrophobicContact CD1-CE2 3.6Å; L64-Y301 HydrophobicContact CD1-CG 4.05Å; I65-Y301 PolarHBondContact N-OH 3.39Å; I65-Y301 VanDerWaalsContact O-CE2 3.31Å; I65-Y301 WeakPolarHBondContact O-CE2 3.36Å; I65-Y301 PolarHBondContact O-OH 3.27Å; I65-Y301 VanDerWaalsContact O-OH 3.11Å; D269-Y301 VanDerWaalsContact O-CD2 3.23Å; D269-Y301 WeakPolarHBondContact O-CD2 3.34Å; D269-Y301 PolarHBondContact O-N 3.01Å; H271-Y301 PolarHBondContact N-O 2.98Å
302	F	98.3	Very high	89.4	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.3	173.3	-75.5	-105.1	0	0	0	109.8	N55 S56 L57 L206 H271 H282 I286 W298	N55-F302 PolarHBondContact OD1-N 3.1Å; S56-F302 WeakPolarHBondContact CB-O 3.48Å; S56-F302 PolarHBondContact N-O 3.13Å; S56-F302 PolarHBondContact OG-O 3.02Å; L57-F302 HydrophobicContact CD1-CD2 3.4Å; L57-F302 HydrophobicContact CD1-CE2 3.73Å; L57-F302 HydrophobicContact CD2-CD2 3.91Å; L57-F302 HydrophobicContact CD2-CE2 4.13Å; L57-F302 HydrophobicContact CG-CB 4.39Å; L57-F302 HydrophobicContact CG-CD2 3.48Å; L57-F302 VanDerWaalsContact CG-CD2 3.48Å; L57-F302 HydrophobicContact CG-CE2 4.09Å; L57-F302 HydrophobicContact CG-CG 4.2Å; L206-F302 HydrophobicContact CD1-CD1 4.32Å; L206-F302 HydrophobicContact CD2-CB 4.11Å; L206-F302 HydrophobicContact CD2-CG 4.23Å; H271-F302 HydrophobicContact CB-CD1 3.73Å; H271-F302 HydrophobicContact CB-CE1 3.67Å; H271-F302 HydrophobicContact CB-CG 4.19Å; H271-F302 HydrophobicContact CB-CZ 4.1Å; H271-F302 AromaticContact CG-CD1 3.99Å; H271-F302 AromaticContact CG-CE1 3.68Å; H271-F302 WeakPolarHBondContact O-CA 3.36Å; H282-F302 HydrophobicContact CB-CD1 4.18Å; H282-F302 HydrophobicContact CB-CE1 4.12Å; I286-F302 HydrophobicContact CD1-CD1 4.37Å; I286-F302 HydrophobicContact CD1-CE1 3.82Å; I286-F302 HydrophobicContact CD1-CE2 4Å; I286-F302 HydrophobicContact CD1-CZ 3.61Å; I286-F302 HydrophobicContact CG1-CE1 3.83Å; I286-F302 HydrophobicContact CG1-CE2 4.05Å; I286-F302 HydrophobicContact CG1-CZ 3.37Å; W298-F302 HydrophobicContact CE3-CZ 4.15Å; W298-F302 HydrophobicContact CZ3-CZ 4.08Å
303	L	98.5	Very high	87.4	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.4	-176.5	-69.5	61.1	0	0	0	108.8	V53 F96 I270 H271 S272 G273 Y348	V53-L303 HydrophobicContact CG2-CD1 4.17Å; V53-L303 HydrophobicContact CG2-CD2 4.04Å; V53-L303 HydrophobicContact CG2-CG 3.96Å; F96-L303 HydrophobicContact CE1-CB 3.79Å; F96-L303 HydrophobicContact CZ-CB 4.42Å; F96-L303 VanDerWaalsContact CZ-O 3.29Å; F96-L303 WeakPolarHBondContact CZ-O 3.34Å; I270-L303 HydrophobicContact CG2-CD1 3.83Å; I270-L303 HydrophobicContact CG2-CD2 4.11Å; I270-L303 HydrophobicContact CG2-CG 4.5Å; H271-L303 PolarHBondContact O-N 3.14Å; S272-L303 VanDerWaalsContact CA-O 3.3Å; S272-L303 WeakPolarHBondContact CA-O 3.3Å; G273-L303 PolarHBondContact N-O 2.91Å; L303-Y348 HydrophobicContact CB-CE2 4.22Å
304	H	97.9	Very high	85	Confident	7 Å²	7	47 Å²	47	3%	0.032	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	-177.9	-65.1	94.6	0	0	0	111.8	S56 G273 G274 I275 A278 H282	S56-H304 WeakPolarHBondContact CB-ND1 3.44Å; S56-H304 PolarHBondContact OG-ND1 3.43Å; G273-H304 VanDerWaalsContact O-CA 3.29Å; G273-H304 WeakPolarHBondContact O-CA 3.46Å; G274-H304 PolarHBondContact O-CD2 2.75Å; I275-H304 HydrophobicContact CB-CB 4.18Å; I275-H304 HydrophobicContact CD1-CB 3.71Å; A278-H304 VanDerWaalsContact CA-NE2 3.32Å; A278-H304 WeakPolarHBondContact CA-NE2 3.34Å; A278-H304 WeakPolarHBondContact CB-NE2 3.46Å; H282-H304 AromaticContact CE1-CD2 3.81Å; H282-H304 AromaticContact CE1-NE2 3.48Å; H282-H304 PolarHBondContact CE1-NE2 2.64Å; H282-H304 AromaticContact CG-NE2 3.87Å; H282-H304 AromaticContact ND1-CD2 3.56Å; H282-H304 AromaticContact ND1-CE1 3.73Å; H282-H304 AromaticContact ND1-NE2 2.77Å; H282-H304 PolarHBondContact ND1-NE2 2.7Å
305	S	97	Very high	83.1	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.1	175.9	73.2	0	0	0	0	110.9	S92 G273 I275 Y348	S92-S305 VanDerWaalsContact CB-OG 3.31Å; S92-S305 WeakPolarHBondContact CB-OG 3.23Å; S92-S305 PolarHBondContact OG-OG 2.86Å; G273-S305 PolarHBondContact O-N 3.38Å; I275-S305 WeakPolarHBondContact CB-O 3.36Å; I275-S305 WeakPolarHBondContact CG2-O 3.4Å; I275-S305 PolarHBondContact N-O 2.94Å; S305-Y348 CarbonylContact C-O 3.54Å; S305-Y348 WeakPolarHBondContact CA-O 3.45Å
306	G	93.5	Very high	81.5	Confident	7 Å²	7	47.4 Å²	47.4	7%	0.072	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.7	160.1	174	0	0	0	0	0	112.8	R95 Y348 R349	R95-G306 PolarHBondContact NH1-O 2.82Å; G306-Y348 PolarHBondContact N-O 2.93Å; G306-R349 VanDerWaalsContact CA-O 3.24Å; G306-R349 WeakPolarHBondContact CA-O 3.41Å; G306-R349 PolarHBondContact N-O 2.87Å
307	H	87.1	Confident	80.3	Confident	50 Å²	50	42.5 Å²	42.5	23%	0.231	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68.1	157.2	180	-68.6	-37.2	0	0	0	113.7	I275 D276 K316 A351 I352	I275-H307 WeakPolarHBondContact CG2-CE1 3.25Å; I275-H307 WeakPolarHBondContact CG2-NE2 3.43Å; D276-H307 IonicContact OD1-CE1 3.49Å; D276-H307 PolarHBondContact OD1-CE1 3.05Å; D276-H307 IonicContact OD1-ND1 3.41Å; H307-K316 PolarHBondContact CE1-NZ 3.23Å; H307-K316 WeakPolarHBondContact ND1-CE 3.24Å; H307-K316 PolarHBondContact ND1-NZ 3.33Å; H307-A351 CarbonylContact O-C 3.57Å; H307-A351 VanDerWaalsContact O-CA 3.26Å; H307-A351 WeakPolarHBondContact O-CA 3.49Å; H307-I352 PolarHBondContact O-N 3.38Å
308	L	83.8	Confident	78.7	Confident	4 Å²	4	42 Å²	42	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.2	162.8	-172.5	72.1	0	0	0	108.6	L87 C91 M317 F342 I352	L87-L308 VanDerWaalsContact C-CD2 3.46Å; L87-L308 HydrophobicContact CB-CD2 3.52Å; L87-L308 WeakPolarHBondContact O-CD2 3.2Å; C91-L308 HydrophobicContact CB-CB 4.41Å; C91-L308 HydrophobicContact CB-CD2 4.36Å; L308-M317 PolarHBondContact O-N 2.76Å; L308-F342 HydrophobicContact CD1-CE1 4.2Å; L308-F342 HydrophobicContact CD1-CZ 4.41Å; L308-I352 WeakPolarHBondContact CA-O 3.03Å; L308-I352 HydrophobicContact CD1-CD1 3.54Å; L308-I352 HydrophobicContact CD1-CG1 3.56Å
309	H	79.6	Confident	77.1	Confident	41 Å²	41	43.1 Å²	43.1	19%	0.19	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	162.3	172.2	-46.5	113.7	0	0	0	110.1	I352 D353 Y354	H309-I352 PolarHBondContact N-O 3.11Å; H309-D353 WeakPolarHBondContact CB-OD1 3.33Å; H309-D353 IonicContact CG-OD1 3.84Å; H309-D353 IonicContact ND1-OD1 3.04Å; H309-D353 PolarHBondContact ND1-OD1 2.84Å; H309-Y354 WeakPolarHBondContact O-CB 3.28Å; H309-Y354 PolarHBondContact O-N 3.3Å
310	V	68.6	Low	75.3	Confident	30 Å²	30	48.1 Å²	48.1	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.8	168.9	178.9	0	0	0	0	107.6	G312 K313 M317	V310-G312 PolarHBondContact O-N 2.91Å; V310-K313 PolarHBondContact O-N 3.34Å; V310-K313 VanDerWaalsContact O-O 3.12Å; V310-M317 HydrophobicContact CG2-CE 3.36Å
311	K	60.5	Low	73.4	Confident	132 Å²	132	50.9 Å²	50.9	57%	0.574	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	130.7	-177.2	-172.5	178.5	-179	-179.9	0	111.3	D353 Y354	K311-D353 HydrophobicContact CB-CB 4.39Å; K311-Y354 WeakPolarHBondContact CB-O 3.25Å; K311-Y354 PolarHBondContact N-O 2.95Å
312	G	53.6	Low	71.9	Confident	85 Å²	85	59.9 Å²	59.9	88%	0.876	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-2	-177.4	0	0	0	0	0	114.7	V310	V310-G312 PolarHBondContact O-N 2.91Å
313	K	55.7	Low	70.5	Confident	114 Å²	114	60.5 Å²	60.5	50%	0.496	32%	0.319	S	S	.	.			trans	-118.4	121.8	164	-63.5	-175.5	178.8	-176.4	0	107.5	V310 E315 N323	V310-K313 PolarHBondContact O-N 3.34Å; V310-K313 VanDerWaalsContact O-O 3.12Å; K313-E315 PolarHBondContact O-N 3.27Å; K313-N323 HydrophobicContact CD-CB 4.21Å
314	E	49.3	Very low	69.4	Low	199 Å²	199	63.6 Å²	63.6	93%	0.93	33%	0.331	S	S	*	.	S	Bend	trans	-63.8	-20	172.8	-66.5	-171.3	164.9	0	0	111.5
315	E	55.5	Low	68.8	Low	109 Å²	109	65.5 Å²	65.5	51%	0.509	34%	0.34	S	S	.	.	S	Bend	trans	-82.5	134.7	-179.2	-57.8	-176.4	156.9	0	0	113.2	K313 L321	K313-E315 PolarHBondContact O-N 3.27Å; E315-L321 HydrophobicContact CB-CD1 3.78Å; E315-L321 HydrophobicContact CG-CD1 4.38Å; E315-L321 WeakPolarHBondContact OE2-CD1 3.23Å
316	K	61.3	Low	68.6	Low	54 Å²	54	66.2 Å²	66.2	24%	0.235	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-52.6	147.1	171.1	177.7	-173.6	171.2	-176.2	0	112.8	D276 H307 S318 N323	D276-K316 IonicContact OD1-NZ 2.62Å; D276-K316 PolarHBondContact OD1-NZ 3.21Å; D276-K316 IonicContact OD2-NZ 3.39Å; D276-K316 PolarHBondContact OD2-NZ 3.4Å; H307-K316 PolarHBondContact CE1-NZ 3.23Å; H307-K316 WeakPolarHBondContact ND1-CE 3.24Å; H307-K316 PolarHBondContact ND1-NZ 3.33Å; K316-S318 PolarHBondContact O-N 3.02Å; K316-S318 VanDerWaalsContact O-N 3.16Å; K316-N323 PolarHBondContact O-ND2 2.72Å; K316-N323 VanDerWaalsContact O-ND2 3.09Å; K316-N323 PolarHBondContact O-OD1 2.67Å
317	M	65.4	Low	68.6	Low	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.341	C	S	.	.			trans	-62.5	114.5	168.9	-175.8	173.5	-66.5	0	0	110.2	H86 L87 L308 V310 I325	H86-M317 HydrophobicContact CB-SD 4.07Å; L87-M317 HydrophobicContact CB-CE 4.23Å; L87-M317 HydrophobicContact CB-SD 3.89Å; L308-M317 PolarHBondContact O-N 2.76Å; V310-M317 HydrophobicContact CG2-CE 3.36Å; M317-I325 HydrophobicContact CE-CB 4.14Å; M317-I325 HydrophobicContact CE-CD1 4.31Å; M317-I325 HydrophobicContact CE-CG1 4.15Å
318	S	59.8	Low	68.9	Low	22 Å²	22	67.3 Å²	67.3	15%	0.154	35%	0.347	C	S	.	.			trans	-146.3	150.7	177	72.4	0	0	0	0	112.2	K316 S320 L321 K322 N323	K316-S318 PolarHBondContact O-N 3.02Å; K316-S318 VanDerWaalsContact O-N 3.16Å; S318-S320 VanDerWaalsContact C-N 3.25Å; S318-S320 PolarHBondContact O-N 3.23Å; S318-S320 PolarHBondContact OG-OG 2.88Å; S318-L321 PolarHBondContact O-N 3.39Å; S318-L321 WeakPolarHBondContact OG-CB 3.44Å; S318-L321 WeakPolarHBondContact OG-CD1 3.41Å; S318-L321 VanDerWaalsContact OG-CG 3.26Å; S318-L321 WeakPolarHBondContact OG-CG 3.45Å; S318-L321 PolarHBondContact OG-N 3.47Å; S318-K322 PolarHBondContact O-N 2.74Å; S318-N323 PolarHBondContact N-OD1 2.77Å; S318-N323 PolarHBondContact O-OD1 2.95Å
319	K	63	Low	69.2	Low	25 Å²	25	70.6 Å²	70.6	11%	0.109	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.9	175.1	-67.1	176	170.3	178.2	0	112.2	Y82 D83 H84 L321 K322 Y324	Y82-K319 HydrophobicContact CE1-CD 4.04Å; Y82-K319 HydrophobicContact CE2-CD 3.97Å; Y82-K319 VanDerWaalsContact CZ-CD 3.47Å; Y82-K319 WeakPolarHBondContact OH-CB 3.29Å; Y82-K319 WeakPolarHBondContact OH-CD 3.36Å; D83-K319 HydrophobicContact CB-CD 4.05Å; D83-K319 PolarHBondContact O-NZ 2.77Å; H84-K319 WeakPolarHBondContact O-CE 3.47Å; H84-K319 PolarHBondContact O-NZ 3.48Å; K319-L321 VanDerWaalsContact C-N 3.3Å; K319-L321 PolarHBondContact O-N 3.03Å; K319-K322 PolarHBondContact O-N 3.34Å; K319-Y324 HydrophobicContact CB-CE1 4.41Å; K319-Y324 HydrophobicContact CG-CD1 4.5Å; K319-Y324 HydrophobicContact CG-CE1 4.33Å
320	S	57.8	Low	69.8	Low	106 Å²	106	68.9 Å²	68.9	74%	0.741	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.5	179	39.6	0	0	0	0	113.4	S318	S318-S320 VanDerWaalsContact C-N 3.25Å; S318-S320 PolarHBondContact O-N 3.23Å; S318-S320 PolarHBondContact OG-OG 2.88Å
321	L	57.8	Low	70.9	Confident	78 Å²	78	69 Å²	69	41%	0.408	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.1	-178.8	-64.5	172.5	0	0	0	113.1	E315 S318 K319 N323	E315-L321 HydrophobicContact CB-CD1 3.78Å; E315-L321 HydrophobicContact CG-CD1 4.38Å; E315-L321 WeakPolarHBondContact OE2-CD1 3.23Å; S318-L321 PolarHBondContact O-N 3.39Å; S318-L321 WeakPolarHBondContact OG-CB 3.44Å; S318-L321 WeakPolarHBondContact OG-CD1 3.41Å; S318-L321 VanDerWaalsContact OG-CG 3.26Å; S318-L321 WeakPolarHBondContact OG-CG 3.45Å; S318-L321 PolarHBondContact OG-N 3.47Å; K319-L321 VanDerWaalsContact C-N 3.3Å; K319-L321 PolarHBondContact O-N 3.03Å; L321-N323 HydrophobicContact CB-CB 4.39Å; L321-N323 WeakPolarHBondContact CB-OD1 3.21Å; L321-N323 PolarHBondContact O-N 2.7Å
322	K	65.6	Low	72.2	Confident	189 Å²	189	70.1 Å²	70.1	82%	0.822	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	24	-176.4	-62	-175.5	177.5	-178.9	0	113.8	S318 K319	S318-K322 PolarHBondContact O-N 2.74Å; K319-K322 PolarHBondContact O-N 3.34Å
323	N	68.6	Low	73.8	Confident	14 Å²	14	70.7 Å²	70.7	8%	0.075	35%	0.347	C	S	.	.			trans	-106	32.6	-175	68.8	-15.8	0	0	0	111.6	K313 K316 S318 L321	K313-N323 HydrophobicContact CD-CB 4.21Å; K316-N323 PolarHBondContact O-ND2 2.72Å; K316-N323 VanDerWaalsContact O-ND2 3.09Å; K316-N323 PolarHBondContact O-OD1 2.67Å; S318-N323 PolarHBondContact N-OD1 2.77Å; S318-N323 PolarHBondContact O-OD1 2.95Å; L321-N323 HydrophobicContact CB-CB 4.39Å; L321-N323 WeakPolarHBondContact CB-OD1 3.21Å; L321-N323 PolarHBondContact O-N 2.7Å
324	Y	76.2	Confident	75.4	Confident	67 Å²	67	65.8 Å²	65.8	26%	0.263	33%	0.326	S	S	.	.			trans	-112.7	150.3	-171.8	69.4	-85.2	0	0	0	113.8	D83 H86 K319 T326	D83-Y324 PolarHBondContact OD2-OH 3.48Å; D83-Y324 VanDerWaalsContact OD2-OH 3.08Å; H86-Y324 HydrophobicContact CB-CD2 3.7Å; H86-Y324 HydrophobicContact CB-CG 4.17Å; K319-Y324 HydrophobicContact CB-CE1 4.41Å; K319-Y324 HydrophobicContact CG-CD1 4.5Å; K319-Y324 HydrophobicContact CG-CE1 4.33Å; Y324-T326 HydrophobicContact CD2-CG2 4.23Å; Y324-T326 HydrophobicContact CE2-CG2 3.87Å
325	I	85.9	Confident	77.5	Confident	47 Å²	47	57.3 Å²	57.3	24%	0.241	29%	0.289	C	S	.	.			trans	-106.2	122.3	172.8	-60.2	167.2	0	0	0	106	H86 L87 M317 D329 F330 Y354	H86-I325 VanDerWaalsContact CA-O 3.28Å; H86-I325 WeakPolarHBondContact CA-O 3.27Å; H86-I325 VanDerWaalsContact CB-O 3.31Å; H86-I325 WeakPolarHBondContact CB-O 3.36Å; L87-I325 HydrophobicContact CD1-CB 3.91Å; L87-I325 HydrophobicContact CD1-CD1 4.27Å; L87-I325 HydrophobicContact CD1-CG2 3.92Å; L87-I325 HydrophobicContact CG-CB 4.18Å; L87-I325 HydrophobicContact CG-CG2 4.24Å; L87-I325 PolarHBondContact N-O 2.86Å; M317-I325 HydrophobicContact CE-CB 4.14Å; M317-I325 HydrophobicContact CE-CD1 4.31Å; M317-I325 HydrophobicContact CE-CG1 4.15Å; I325-D329 HydrophobicContact CG2-CB 4.4Å; I325-F330 HydrophobicContact CG2-CB 3.97Å; I325-Y354 HydrophobicContact CD1-CD1 3.88Å; I325-Y354 HydrophobicContact CD1-CE1 3.43Å; I325-Y354 VanDerWaalsContact CD1-CE1 3.43Å
326	T	91.6	Very high	79.4	Confident	17 Å²	17	53.1 Å²	53.1	10%	0.104	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-67.7	155.8	174.7	70.8	0	0	0	0	110	H84 A85 Y324 K328 D329 F330	H84-T326 HydrophobicContact CB-CG2 4.22Å; A85-T326 WeakPolarHBondContact O-CA 3.45Å; Y324-T326 HydrophobicContact CD2-CG2 4.23Å; Y324-T326 HydrophobicContact CE2-CG2 3.87Å; T326-K328 VanDerWaalsContact C-N 3.25Å; T326-K328 PolarHBondContact O-N 2.95Å; T326-D329 PolarHBondContact O-N 3.04Å; T326-D329 WeakPolarHBondContact OG1-CB 3.21Å; T326-D329 PolarHBondContact OG1-N 3.06Å; T326-D329 PolarHBondContact OG1-OD2 2.9Å; T326-F330 WeakPolarHBondContact O-CB 3.38Å; T326-F330 PolarHBondContact O-N 2.99Å
327	I	94.3	Very high	81.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-41	176.7	-66.8	168.7	0	0	0	110.2	A85 A90 D149 M150 L153 D329 F330 L331	A85-I327 HydrophobicContact CB-CD1 3.67Å; A85-I327 PolarHBondContact O-N 2.9Å; A90-I327 HydrophobicContact CB-CD1 3.82Å; A90-I327 HydrophobicContact CB-CG1 3.88Å; D149-I327 HydrophobicContact CB-CB 4.24Å; D149-I327 HydrophobicContact CB-CD1 3.79Å; D149-I327 HydrophobicContact CB-CG2 4.11Å; M150-I327 HydrophobicContact CE-CD1 3.64Å; L153-I327 HydrophobicContact CD1-CD1 3.81Å; L153-I327 HydrophobicContact CD1-CG1 4.17Å; L153-I327 HydrophobicContact CD1-CG2 3.77Å; L153-I327 HydrophobicContact CD2-CG2 4.16Å; L153-I327 HydrophobicContact CG-CG2 3.84Å; I327-D329 PolarHBondContact O-N 2.68Å; I327-F330 WeakPolarHBondContact O-CB 3.38Å; I327-F330 PolarHBondContact O-N 3.11Å; I327-L331 HydrophobicContact CG2-CD1 3.77Å; I327-L331 HydrophobicContact CG2-CG 4.22Å; I327-L331 WeakPolarHBondContact O-CB 3.44Å; I327-L331 VanDerWaalsContact O-CG 3.25Å; I327-L331 WeakPolarHBondContact O-CG 3.33Å; I327-L331 PolarHBondContact O-N 3.21Å
328	K	92.4	Very high	82.6	Confident	80 Å²	80	51.6 Å²	51.6	35%	0.348	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-45.2	177.1	-65.6	176.9	-177.9	166	0	113.1	D145 D149 T326 F330 L331 K332	D145-K328 IonicContact OD1-NZ 3.43Å; D145-K328 PolarHBondContact OD1-NZ 3.34Å; D145-K328 IonicContact OD2-NZ 2.71Å; D149-K328 WeakPolarHBondContact OD1-CE 3.46Å; D149-K328 WeakPolarHBondContact OD1-CG 3.48Å; T326-K328 VanDerWaalsContact C-N 3.25Å; T326-K328 PolarHBondContact O-N 2.95Å; K328-F330 VanDerWaalsContact C-N 3.33Å; K328-L331 PolarHBondContact O-N 2.87Å; K328-K332 WeakPolarHBondContact O-CG 3.5Å; K328-K332 PolarHBondContact O-N 3.48Å
329	D	90.1	Very high	84.4	Confident	74 Å²	74	50.6 Å²	50.6	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-40.7	178.7	-67.8	-39.4	0	0	0	111.3	I325 T326 I327 L331 K332	I325-D329 HydrophobicContact CG2-CB 4.4Å; T326-D329 PolarHBondContact O-N 3.04Å; T326-D329 WeakPolarHBondContact OG1-CB 3.21Å; T326-D329 PolarHBondContact OG1-N 3.06Å; T326-D329 PolarHBondContact OG1-OD2 2.9Å; I327-D329 PolarHBondContact O-N 2.68Å; D329-L331 VanDerWaalsContact C-N 3.35Å; D329-L331 PolarHBondContact O-N 3.45Å; D329-K332 WeakPolarHBondContact O-CB 3.28Å; D329-K332 PolarHBondContact O-N 3.37Å; D329-K332 IonicContact OD1-NZ 3.19Å; D329-K332 PolarHBondContact OD1-NZ 3.12Å
330	F	92.6	Very high	86	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-44.2	173.6	168.3	-93.9	0	0	0	112.6	L87 I325 T326 I327 K328 K332 T333 F334 F339 Y354 M359	L87-F330 HydrophobicContact CD1-CB 4.11Å; L87-F330 HydrophobicContact CD1-CD2 3.71Å; L87-F330 HydrophobicContact CD1-CE2 4.46Å; L87-F330 HydrophobicContact CD1-CG 4.09Å; L87-F330 HydrophobicContact CD2-CB 3.72Å; L87-F330 HydrophobicContact CD2-CD1 3.98Å; L87-F330 HydrophobicContact CD2-CD2 3.97Å; L87-F330 HydrophobicContact CD2-CG 3.61Å; L87-F330 HydrophobicContact CG-CB 4.2Å; L87-F330 HydrophobicContact CG-CD2 4.45Å; L87-F330 HydrophobicContact CG-CG 4.37Å; I325-F330 HydrophobicContact CG2-CB 3.97Å; T326-F330 WeakPolarHBondContact O-CB 3.38Å; T326-F330 PolarHBondContact O-N 2.99Å; I327-F330 WeakPolarHBondContact O-CB 3.38Å; I327-F330 PolarHBondContact O-N 3.11Å; K328-F330 VanDerWaalsContact C-N 3.33Å; F330-K332 PolarHBondContact O-N 3.45Å; F330-T333 PolarHBondContact O-N 3.49Å; F330-F334 HydrophobicContact CD2-CB 4.5Å; F330-F334 HydrophobicContact CD2-CD2 4.12Å; F330-F334 HydrophobicContact CE1-CB 4.07Å; F330-F334 HydrophobicContact CE2-CB 3.76Å; F330-F334 AromaticContact CE2-CD2 3.68Å; F330-F334 HydrophobicContact CE2-CD2 3.68Å; F330-F334 HydrophobicContact CE2-CG 4.08Å; F330-F334 HydrophobicContact CZ-CB 3.49Å; F330-F334 VanDerWaalsContact CZ-CB 3.49Å; F330-F334 HydrophobicContact CZ-CD2 4.33Å; F330-F334 HydrophobicContact CZ-CG 4.27Å; F330-F334 PolarHBondContact O-N 2.88Å; F330-F339 HydrophobicContact CE1-CB 3.65Å; F330-F339 AromaticContact CE1-CD2 3.94Å; F330-F339 HydrophobicContact CE1-CD2 3.94Å; F330-F339 AromaticContact CE1-CG 3.93Å; F330-F339 HydrophobicContact CE1-CG 3.93Å; F330-F339 HydrophobicContact CE2-CD2 4.06Å; F330-F339 HydrophobicContact CZ-CB 3.61Å; F330-F339 AromaticContact CZ-CD2 3.54Å; F330-F339 HydrophobicContact CZ-CD2 3.54Å; F330-F339 AromaticContact CZ-CG 3.89Å; F330-F339 HydrophobicContact CZ-CG 3.89Å; F330-Y354 HydrophobicContact CD2-CE2 4.12Å; F330-Y354 HydrophobicContact CE2-CE2 4.08Å; F330-M359 HydrophobicContact CE2-CE 3.54Å; F330-M359 HydrophobicContact CE2-CG 4.33Å; F330-M359 HydrophobicContact CE2-SD 3.98Å; F330-M359 HydrophobicContact CZ-CE 3.44Å; F330-M359 VanDerWaalsContact CZ-CE 3.44Å; F330-M359 HydrophobicContact CZ-SD 4.31Å
331	L	91.8	Very high	87.9	Confident	33 Å²	33	44.3 Å²	44.3	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-13.2	-177.5	-72.6	176.1	0	0	0	113.9	A152 L153 I327 K328 D329 T333 F334 P336	A152-L331 HydrophobicContact CB-CD1 3.67Å; L153-L331 HydrophobicContact CD2-CD2 4.19Å; I327-L331 HydrophobicContact CG2-CD1 3.77Å; I327-L331 HydrophobicContact CG2-CG 4.22Å; I327-L331 WeakPolarHBondContact O-CB 3.44Å; I327-L331 VanDerWaalsContact O-CG 3.25Å; I327-L331 WeakPolarHBondContact O-CG 3.33Å; I327-L331 PolarHBondContact O-N 3.21Å; K328-L331 PolarHBondContact O-N 2.87Å; D329-L331 VanDerWaalsContact C-N 3.35Å; D329-L331 PolarHBondContact O-N 3.45Å; L331-T333 VanDerWaalsContact C-N 3.28Å; L331-F334 WeakPolarHBondContact CA-O 3.36Å; L331-P336 HydrophobicContact CD2-CB 4.25Å
332	K	89	Confident	89.8	Confident	155 Å²	155	41.4 Å²	41.4	67%	0.674	20%	0.202	S	C	*	.	H	α-helix	trans	-68.5	-29	168.7	-65.7	168.3	-172.9	165.5	0	111.8	K328 D329 F330	K328-K332 WeakPolarHBondContact O-CG 3.5Å; K328-K332 PolarHBondContact O-N 3.48Å; D329-K332 WeakPolarHBondContact O-CB 3.28Å; D329-K332 PolarHBondContact O-N 3.37Å; D329-K332 IonicContact OD1-NZ 3.19Å; D329-K332 PolarHBondContact OD1-NZ 3.12Å; F330-K332 PolarHBondContact O-N 3.45Å
333	T	85.9	Confident	91.3	Very high	98 Å²	98	32.5 Å²	32.5	60%	0.601	16%	0.163	S	C	*	.	H	α-helix	trans	-106.4	-40.3	-173.7	-50.4	0	0	0	0	112.8	F330 L331	F330-T333 PolarHBondContact O-N 3.49Å; L331-T333 VanDerWaalsContact C-N 3.28Å
334	F	89.1	Confident	92.7	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.044	16%	0.16	C	C	.	.	S	Bend	trans	-124.8	147.6	-176.8	-63.7	-73.4	0	0	0	111.5	F330 L331 V338 M359 L360	F330-F334 HydrophobicContact CD2-CB 4.5Å; F330-F334 HydrophobicContact CD2-CD2 4.12Å; F330-F334 HydrophobicContact CE1-CB 4.07Å; F330-F334 HydrophobicContact CE2-CB 3.76Å; F330-F334 AromaticContact CE2-CD2 3.68Å; F330-F334 HydrophobicContact CE2-CD2 3.68Å; F330-F334 HydrophobicContact CE2-CG 4.08Å; F330-F334 HydrophobicContact CZ-CB 3.49Å; F330-F334 VanDerWaalsContact CZ-CB 3.49Å; F330-F334 HydrophobicContact CZ-CD2 4.33Å; F330-F334 HydrophobicContact CZ-CG 4.27Å; F330-F334 PolarHBondContact O-N 2.88Å; L331-F334 WeakPolarHBondContact CA-O 3.36Å; F334-V338 HydrophobicContact CD1-CG1 4.35Å; F334-M359 HydrophobicContact CB-CE 4.02Å; F334-M359 HydrophobicContact CD1-CB 4.13Å; F334-M359 HydrophobicContact CD1-CE 4.28Å; F334-M359 HydrophobicContact CD2-CB 4.1Å; F334-M359 HydrophobicContact CD2-CE 4.26Å; F334-M359 HydrophobicContact CD2-CG 4.28Å; F334-M359 HydrophobicContact CE1-CB 3.73Å; F334-M359 HydrophobicContact CE2-CB 3.7Å; F334-M359 HydrophobicContact CE2-CG 4.11Å; F334-M359 HydrophobicContact CG-CB 4.31Å; F334-M359 HydrophobicContact CG-CE 3.93Å; F334-M359 HydrophobicContact CZ-CB 3.5Å; F334-M359 VanDerWaalsContact CZ-CB 3.5Å; F334-M359 HydrophobicContact CZ-CG 4.41Å; F334-L360 HydrophobicContact CE1-CD2 4.04Å; F334-L360 HydrophobicContact CE1-CG 4.25Å; F334-L360 HydrophobicContact CZ-CD2 4.42Å; F334-L360 HydrophobicContact CZ-CG 4.3Å
335	S	93.4	Very high	93.6	Very high	22 Å²	22	32.7 Å²	32.7	15%	0.154	16%	0.163	C	C	.	.			trans	-76.8	157.1	177.3	84.5	0	0	0	0	111.2	D337 V338 F339	S335-D337 PolarHBondContact O-N 3.5Å; S335-D337 PolarHBondContact OG-N 2.89Å; S335-V338 PolarHBondContact O-N 3.4Å; S335-V338 VanDerWaalsContact O-N 3.16Å; S335-V338 WeakPolarHBondContact OG-CG2 3.48Å; S335-V338 PolarHBondContact OG-N 3.16Å; S335-F339 PolarHBondContact O-N 3.48Å
336	P	96.8	Very high	94	Very high	20 Å²	20	31.3 Å²	31.3	13%	0.13	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-32.5	174.2	25.8	-35.3	0	0	0	112.1	A152 L153 L331 V338 F339 R340	A152-P336 WeakPolarHBondContact O-CB 3.27Å; A152-P336 WeakPolarHBondContact O-CG 3.39Å; L153-P336 HydrophobicContact CD2-CB 4.39Å; L331-P336 HydrophobicContact CD2-CB 4.25Å; P336-V338 VanDerWaalsContact C-N 3.34Å; P336-V338 PolarHBondContact O-N 3.19Å; P336-F339 PolarHBondContact O-N 3.37Å; P336-R340 VanDerWaalsContact O-CG 3.26Å; P336-R340 WeakPolarHBondContact O-CG 3.09Å; P336-R340 PolarHBondContact O-N 3.26Å
337	D	96.6	Very high	94.3	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-39.6	176.5	-67.7	-47	0	0	0	112.3	K154 S335 R340 F341 L366 I465 S466	K154-D337 IonicContact NZ-OD1 3.7Å; K154-D337 PolarHBondContact NZ-OD1 2.98Å; K154-D337 IonicContact NZ-OD2 3.39Å; K154-D337 PolarHBondContact NZ-OD2 3.32Å; S335-D337 PolarHBondContact O-N 3.5Å; S335-D337 PolarHBondContact OG-N 2.89Å; D337-R340 PolarHBondContact O-N 3.27Å; D337-F341 WeakPolarHBondContact O-CB 3.22Å; D337-F341 PolarHBondContact O-N 3.16Å; D337-L366 HydrophobicContact CB-CD2 3.9Å; D337-I465 HydrophobicContact CB-CG2 4.24Å; D337-I465 VanDerWaalsContact OD1-CA 3.29Å; D337-I465 WeakPolarHBondContact OD1-CA 3.42Å; D337-S466 PolarHBondContact OD1-N 3.38Å
338	V	96.1	Very high	94.4	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-42.9	174.2	-177.9	0	0	0	0	110.4	F334 S335 P336 F341 F342 M359 A362 Q363 L366	F334-V338 HydrophobicContact CD1-CG1 4.35Å; S335-V338 PolarHBondContact O-N 3.4Å; S335-V338 VanDerWaalsContact O-N 3.16Å; S335-V338 WeakPolarHBondContact OG-CG2 3.48Å; S335-V338 PolarHBondContact OG-N 3.16Å; P336-V338 VanDerWaalsContact C-N 3.34Å; P336-V338 PolarHBondContact O-N 3.19Å; V338-F341 PolarHBondContact O-N 3.29Å; V338-F342 WeakPolarHBondContact O-CB 3.41Å; V338-F342 PolarHBondContact O-N 3.29Å; V338-M359 HydrophobicContact CB-CE 4.24Å; V338-M359 HydrophobicContact CG1-CE 3.48Å; V338-M359 VanDerWaalsContact CG1-CE 3.48Å; V338-A362 HydrophobicContact CG1-CB 4.11Å; V338-Q363 HydrophobicContact CG1-CB 3.84Å; V338-Q363 HydrophobicContact CG2-CB 3.94Å; V338-Q363 HydrophobicContact CG2-CG 3.97Å; V338-L366 HydrophobicContact CG2-CD2 4.24Å
339	F	96.9	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-42.8	178.4	-170.1	-111.4	0	0	0	112.8	L87 A90 C91 V94 L153 F330 S335 P336 F342 C343 M359	L87-F339 HydrophobicContact CD2-CE2 3.98Å; L87-F339 HydrophobicContact CD2-CZ 4.23Å; A90-F339 HydrophobicContact CB-CE1 3.68Å; A90-F339 HydrophobicContact CB-CZ 3.8Å; C91-F339 HydrophobicContact CB-CZ 4.13Å; V94-F339 HydrophobicContact CB-CE1 4.28Å; V94-F339 HydrophobicContact CG2-CD1 4.07Å; V94-F339 HydrophobicContact CG2-CE1 3.95Å; L153-F339 HydrophobicContact CD2-CD1 3.98Å; F330-F339 HydrophobicContact CE1-CB 3.65Å; F330-F339 AromaticContact CE1-CD2 3.94Å; F330-F339 HydrophobicContact CE1-CD2 3.94Å; F330-F339 AromaticContact CE1-CG 3.93Å; F330-F339 HydrophobicContact CE1-CG 3.93Å; F330-F339 HydrophobicContact CE2-CD2 4.06Å; F330-F339 HydrophobicContact CZ-CB 3.61Å; F330-F339 AromaticContact CZ-CD2 3.54Å; F330-F339 HydrophobicContact CZ-CD2 3.54Å; F330-F339 AromaticContact CZ-CG 3.89Å; F330-F339 HydrophobicContact CZ-CG 3.89Å; S335-F339 PolarHBondContact O-N 3.48Å; P336-F339 PolarHBondContact O-N 3.37Å; F339-F342 HydrophobicContact CD2-CD1 4.34Å; F339-F342 HydrophobicContact CE2-CD1 4.31Å; F339-F342 WeakPolarHBondContact O-CB 3.32Å; F339-F342 PolarHBondContact O-N 3.03Å; F339-C343 PolarHBondContact O-N 3.42Å; F339-C343 PolarHBondContact O-SG 3.37Å; F339-M359 HydrophobicContact CD2-SD 4.44Å
340	R	98	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-43.8	176.2	-67.7	-178.7	75.3	86.3	4.5	111	V94 D97 L153 K154 P336 D337 F342 C343 L344 V463 G464 I465	V94-R340 HydrophobicContact CG1-CB 4.4Å; V94-R340 HydrophobicContact CG1-CG 3.83Å; D97-R340 IonicContact OD2-CZ 3.75Å; D97-R340 VanDerWaalsContact OD2-CZ 3.25Å; D97-R340 IonicContact OD2-NH1 2.81Å; D97-R340 PolarHBondContact OD2-NH1 3.02Å; D97-R340 IonicContact OD2-NH2 3.8Å; D97-R340 PolarHBondContact OD2-NH2 3.19Å; L153-R340 PolarHBondContact O-NH1 3.48Å; L153-R340 VanDerWaalsContact O-NH1 3.13Å; K154-R340 PolarHBondContact O-NH1 2.9Å; P336-R340 VanDerWaalsContact O-CG 3.26Å; P336-R340 WeakPolarHBondContact O-CG 3.09Å; P336-R340 PolarHBondContact O-N 3.26Å; D337-R340 PolarHBondContact O-N 3.27Å; R340-F342 VanDerWaalsContact C-N 3.32Å; R340-F342 PolarHBondContact O-N 3.32Å; R340-C343 WeakPolarHBondContact O-CB 3.23Å; R340-C343 PolarHBondContact O-N 3.32Å; R340-C343 VanDerWaalsContact O-N 3.14Å; R340-L344 WeakPolarHBondContact O-CG 3.43Å; R340-L344 PolarHBondContact O-N 3.48Å; R340-L344 VanDerWaalsContact O-N 3.08Å; R340-V463 VanDerWaalsContact CZ-O 3.27Å; R340-V463 PolarHBondContact NE-O 3.43Å; R340-V463 PolarHBondContact NH2-O 3.45Å; R340-G464 WeakPolarHBondContact CD-O 3.2Å; R340-G464 PolarHBondContact NE-O 3.44Å; R340-I465 HydrophobicContact CB-CD1 3.97Å; R340-I465 HydrophobicContact CB-CG1 3.69Å
341	F	97.8	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-41.4	174.9	-167.8	-93.6	0	0	0	111.7	D337 V338 C343 L344 R345 A362 Q365 L366 L369 V419 F460 I465	D337-F341 WeakPolarHBondContact O-CB 3.22Å; D337-F341 PolarHBondContact O-N 3.16Å; V338-F341 PolarHBondContact O-N 3.29Å; F341-C343 VanDerWaalsContact C-N 3.31Å; F341-C343 PolarHBondContact O-N 2.9Å; F341-L344 WeakPolarHBondContact O-CB 3.48Å; F341-L344 PolarHBondContact O-N 3.48Å; F341-R345 HydrophobicContact CD1-CG 4.36Å; F341-R345 HydrophobicContact CE1-CG 4.15Å; F341-R345 WeakPolarHBondContact O-CG 3.42Å; F341-R345 PolarHBondContact O-N 3.17Å; F341-A362 HydrophobicContact CD1-CB 4.03Å; F341-Q365 HydrophobicContact CE1-CB 3.59Å; F341-Q365 HydrophobicContact CE1-CG 4.49Å; F341-Q365 HydrophobicContact CZ-CB 3.95Å; F341-L366 HydrophobicContact CB-CD1 4.26Å; F341-L366 HydrophobicContact CD2-CD1 3.78Å; F341-L366 HydrophobicContact CE2-CD1 4.39Å; F341-L366 HydrophobicContact CG-CD1 4.09Å; F341-L369 HydrophobicContact CE2-CD1 3.92Å; F341-L369 HydrophobicContact CZ-CD1 4.27Å; F341-V419 HydrophobicContact CE1-CG1 4.45Å; F341-V419 HydrophobicContact CE2-CG1 4.23Å; F341-V419 HydrophobicContact CE2-CG2 4.47Å; F341-V419 HydrophobicContact CZ-CG1 3.71Å; F341-F460 AromaticContact CD2-CE1 3.87Å; F341-F460 HydrophobicContact CD2-CE1 3.87Å; F341-F460 AromaticContact CE2-CE1 3.83Å; F341-F460 HydrophobicContact CE2-CE1 3.83Å; F341-F460 HydrophobicContact CE2-CZ 4.11Å; F341-I465 HydrophobicContact CB-CD1 3.96Å; F341-I465 HydrophobicContact CD2-CD1 4.2Å
342	F	96.8	Very high	94.4	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-56.9	-43.4	172.4	168.2	-102	0	0	0	111.8	L308 V338 F339 R340 L344 R345 I352 A358 M359 A362	L308-F342 HydrophobicContact CD1-CE1 4.2Å; L308-F342 HydrophobicContact CD1-CZ 4.41Å; V338-F342 WeakPolarHBondContact O-CB 3.41Å; V338-F342 PolarHBondContact O-N 3.29Å; F339-F342 HydrophobicContact CD2-CD1 4.34Å; F339-F342 HydrophobicContact CE2-CD1 4.31Å; F339-F342 WeakPolarHBondContact O-CB 3.32Å; F339-F342 PolarHBondContact O-N 3.03Å; R340-F342 VanDerWaalsContact C-N 3.32Å; R340-F342 PolarHBondContact O-N 3.32Å; F342-L344 VanDerWaalsContact C-N 3.34Å; F342-L344 PolarHBondContact O-N 2.89Å; F342-R345 PolarHBondContact O-N 3.21Å; F342-I352 HydrophobicContact CD1-CD1 4.44Å; F342-I352 HydrophobicContact CE1-CD1 3.47Å; F342-I352 VanDerWaalsContact CE1-CD1 3.47Å; F342-I352 HydrophobicContact CZ-CD1 3.68Å; F342-A358 HydrophobicContact CD2-CB 4.47Å; F342-A358 HydrophobicContact CE2-CB 3.91Å; F342-M359 HydrophobicContact CB-CE 4.44Å; F342-M359 HydrophobicContact CB-SD 3.98Å; F342-M359 HydrophobicContact CD1-SD 4Å; F342-M359 HydrophobicContact CD2-SD 4.05Å; F342-M359 HydrophobicContact CG-SD 3.74Å; F342-A362 HydrophobicContact CB-CB 3.95Å
343	C	97.3	Very high	94.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-38.8	176.2	-67.3	0	0	0	0	112.6	V94 R95 I98 F339 R340 F341 R345 S346	V94-C343 HydrophobicContact CG1-CB 4.12Å; R95-C343 HydrophobicContact CG-CB 4.22Å; I98-C343 HydrophobicContact CD1-CB 4.27Å; F339-C343 PolarHBondContact O-N 3.42Å; F339-C343 PolarHBondContact O-SG 3.37Å; R340-C343 WeakPolarHBondContact O-CB 3.23Å; R340-C343 PolarHBondContact O-N 3.32Å; R340-C343 VanDerWaalsContact O-N 3.14Å; F341-C343 VanDerWaalsContact C-N 3.31Å; F341-C343 PolarHBondContact O-N 2.9Å; C343-R345 PolarHBondContact O-N 3.39Å; C343-S346 PolarHBondContact O-N 2.72Å; C343-S346 VanDerWaalsContact O-O 3.11Å; C343-S346 PolarHBondContact O-OG 3.48Å
344	L	97.4	Very high	94.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-25.7	179	-66.9	172.9	0	0	0	113.6	I98 R340 F341 F342 S346 T415 P416 V419 V463 I465	I98-L344 HydrophobicContact CD1-CD2 3.83Å; I98-L344 HydrophobicContact CD1-CG 4.2Å; I98-L344 HydrophobicContact CG1-CD2 4.39Å; I98-L344 HydrophobicContact CG2-CD2 3.74Å; R340-L344 WeakPolarHBondContact O-CG 3.43Å; R340-L344 PolarHBondContact O-N 3.48Å; R340-L344 VanDerWaalsContact O-N 3.08Å; F341-L344 WeakPolarHBondContact O-CB 3.48Å; F341-L344 PolarHBondContact O-N 3.48Å; F342-L344 VanDerWaalsContact C-N 3.34Å; F342-L344 PolarHBondContact O-N 2.89Å; L344-S346 PolarHBondContact O-N 3.11Å; L344-T415 HydrophobicContact CD2-CG2 3.61Å; L344-T415 CarbonylContact O-C 3.42Å; L344-T415 VanDerWaalsContact O-CB 3.31Å; L344-T415 WeakPolarHBondContact O-CB 3.36Å; L344-T415 PolarHBondContact O-OG1 3.24Å; L344-P416 WeakPolarHBondContact O-CD 3.47Å; L344-P416 VanDerWaalsContact O-N 3.15Å; L344-V419 HydrophobicContact CB-CG2 3.8Å; L344-V463 HydrophobicContact CD1-CB 4.35Å; L344-V463 HydrophobicContact CD1-CG2 3.79Å; L344-V463 HydrophobicContact CD2-CB 4.33Å; L344-V463 HydrophobicContact CD2-CG1 4.31Å; L344-I465 HydrophobicContact CD1-CD1 3.48Å; L344-I465 VanDerWaalsContact CD1-CD1 3.48Å
345	R	96	Very high	94.1	Very high	84 Å²	84	26.8 Å²	26.8	32%	0.317	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-1.8	-177.7	-69.9	-179.3	63.9	-174.8	-7	114.3	F341 F342 C343 Q365	F341-R345 HydrophobicContact CD1-CG 4.36Å; F341-R345 HydrophobicContact CE1-CG 4.15Å; F341-R345 WeakPolarHBondContact O-CG 3.42Å; F341-R345 PolarHBondContact O-N 3.17Å; F342-R345 PolarHBondContact O-N 3.21Å; C343-R345 PolarHBondContact O-N 3.39Å; R345-Q365 VanDerWaalsContact CD-OE1 3.26Å; R345-Q365 VanDerWaalsContact NE-OE1 3.15Å
346	S	95.1	Very high	93.5	Very high	17 Å²	17	30.3 Å²	30.3	12%	0.119	17%	0.166	C	C	.	.	S	Bend	trans	-136.1	151.7	177.7	61.7	0	0	0	0	110	R95 C343 L344 Y348	R95-S346 PolarHBondContact NH2-OG 2.85Å; C343-S346 PolarHBondContact O-N 2.72Å; C343-S346 VanDerWaalsContact O-O 3.11Å; C343-S346 PolarHBondContact O-OG 3.48Å; L344-S346 PolarHBondContact O-N 3.11Å; S346-Y348 PolarHBondContact O-N 3.42Å
347	S	96.4	Very high	92.8	Very high	28 Å²	28	32.1 Å²	32.1	20%	0.196	18%	0.179	C	C	.	.			trans	-57.5	141	166.8	173.8	0	0	0	0	109.3	R95 R349 S350	R95-S347 PolarHBondContact NH2-O 2.98Å; S347-R349 PolarHBondContact O-N 3.14Å; S347-R349 PolarHBondContact OG-N 3.25Å; S347-S350 PolarHBondContact O-N 3.41Å
348	Y	97.6	Very high	92.4	Very high	8 Å²	8	32.1 Å²	32.1	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.5	177.8	75.1	-84.7	0	0	0	112.6	R95 F96 I99 L303 S305 G306 S346 D412 F413	R95-Y348 PolarHBondContact NH1-O 2.75Å; R95-Y348 VanDerWaalsContact NH1-O 3.16Å; F96-Y348 HydrophobicContact CE1-CD2 4.17Å; F96-Y348 HydrophobicContact CE1-CE2 4.32Å; I99-Y348 HydrophobicContact CD1-CD1 3.75Å; I99-Y348 HydrophobicContact CD1-CD2 3.86Å; I99-Y348 HydrophobicContact CD1-CE1 4.11Å; I99-Y348 HydrophobicContact CD1-CE2 4.2Å; I99-Y348 HydrophobicContact CD1-CG 3.62Å; L303-Y348 HydrophobicContact CB-CE2 4.22Å; S305-Y348 CarbonylContact C-O 3.54Å; S305-Y348 WeakPolarHBondContact CA-O 3.45Å; G306-Y348 PolarHBondContact N-O 2.93Å; S346-Y348 PolarHBondContact O-N 3.42Å; Y348-D412 WeakPolarHBondContact CE1-OD1 3.39Å; Y348-D412 PolarHBondContact OH-OD1 3.49Å; Y348-F413 HydrophobicContact CE1-CD2 4.15Å
349	R	95.9	Very high	92.2	Very high	83 Å²	83	32 Å²	32	31%	0.313	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-22.5	-178.9	-62.6	163.3	54	-152.8	-8.1	113	Y54 G306 S347 D412	Y54-R349 VanDerWaalsContact CB-CZ 3.44Å; Y54-R349 VanDerWaalsContact CB-NH1 3.26Å; Y54-R349 VanDerWaalsContact CG-NE 3.34Å; Y54-R349 VanDerWaalsContact CG-NH1 3.32Å; Y54-R349 VanDerWaalsContact CG-NH2 3.31Å; Y54-R349 VanDerWaalsContact CZ-NH2 3.26Å; G306-R349 VanDerWaalsContact CA-O 3.24Å; G306-R349 WeakPolarHBondContact CA-O 3.41Å; G306-R349 PolarHBondContact N-O 2.87Å; S347-R349 PolarHBondContact O-N 3.14Å; S347-R349 PolarHBondContact OG-N 3.25Å; R349-D412 WeakPolarHBondContact CD-OD2 3.26Å; R349-D412 IonicContact CZ-OD2 2.8Å; R349-D412 IonicContact NE-OD2 3.19Å; R349-D412 IonicContact NH1-OD2 2.68Å; R349-D412 PolarHBondContact NH1-OD2 2.78Å
350	S	93.5	Very high	91.6	Very high	55 Å²	55	35.2 Å²	35.2	39%	0.385	20%	0.198	S	C	.	.	S	Bend	trans	-75.6	135.5	-175.8	-64.9	0	0	0	0	111	R95 S347	R95-S350 PolarHBondContact NH1-O 3.04Å; R95-S350 PolarHBondContact NH2-O 3.28Å; R95-S350 VanDerWaalsContact NH2-O 3.11Å; S347-S350 PolarHBondContact O-N 3.41Å
351	A	90.4	Very high	91.1	Very high	59 Å²	59	39.7 Å²	39.7	49%	0.488	22%	0.219	S	C	.	.			trans	-63.8	140.5	162	0	0	0	0	0	109.3	H307	H307-A351 CarbonylContact O-C 3.57Å; H307-A351 VanDerWaalsContact O-CA 3.26Å; H307-A351 WeakPolarHBondContact O-CA 3.49Å
352	I	86.9	Confident	90.9	Very high	20 Å²	20	39.7 Å²	39.7	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.8	-178.1	50.8	161.5	0	0	0	110.9	H307 L308 H309 F342	H307-I352 PolarHBondContact O-N 3.38Å; L308-I352 WeakPolarHBondContact CA-O 3.03Å; L308-I352 HydrophobicContact CD1-CD1 3.54Å; L308-I352 HydrophobicContact CD1-CG1 3.56Å; H309-I352 PolarHBondContact N-O 3.11Å; F342-I352 HydrophobicContact CD1-CD1 4.44Å; F342-I352 HydrophobicContact CE1-CD1 3.47Å; F342-I352 VanDerWaalsContact CE1-CD1 3.47Å; F342-I352 HydrophobicContact CZ-CD1 3.68Å
353	D	85.5	Confident	90.6	Very high	90 Å²	90	41.9 Å²	41.9	48%	0.481	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.4	177.3	-61.7	-25.9	0	0	0	110	H309 K311	H309-D353 WeakPolarHBondContact CB-OD1 3.33Å; H309-D353 IonicContact CG-OD1 3.84Å; H309-D353 IonicContact ND1-OD1 3.04Å; H309-D353 PolarHBondContact ND1-OD1 2.84Å; K311-D353 HydrophobicContact CB-CB 4.39Å
354	Y	85.4	Confident	90.2	Very high	14 Å²	14	47.8 Å²	47.8	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129	167.6	178.3	-90.2	0	0	0	109.9	L87 H309 K311 I325 F330 D356 M359	L87-Y354 HydrophobicContact CD1-CD2 3.79Å; L87-Y354 HydrophobicContact CD1-CE2 3.6Å; L87-Y354 HydrophobicContact CD1-CG 4.42Å; H309-Y354 WeakPolarHBondContact O-CB 3.28Å; H309-Y354 PolarHBondContact O-N 3.3Å; K311-Y354 WeakPolarHBondContact CB-O 3.25Å; K311-Y354 PolarHBondContact N-O 2.95Å; I325-Y354 HydrophobicContact CD1-CD1 3.88Å; I325-Y354 HydrophobicContact CD1-CE1 3.43Å; I325-Y354 VanDerWaalsContact CD1-CE1 3.43Å; F330-Y354 HydrophobicContact CD2-CE2 4.12Å; F330-Y354 HydrophobicContact CE2-CE2 4.08Å; Y354-D356 PolarHBondContact OH-OD1 3.48Å; Y354-M359 HydrophobicContact CD2-CG 4.24Å; Y354-M359 HydrophobicContact CE2-CG 3.58Å; Y354-M359 HydrophobicContact CE2-SD 4.13Å
355	S	85.3	Confident	89.9	Confident	19 Å²	19	50.2 Å²	50.2	13%	0.133	27%	0.268	C	S	.	.			trans	-152.7	151.9	163.8	65.7	0	0	0	0	110	S357 A358 M359	S355-S357 PolarHBondContact O-N 3.24Å; S355-S357 PolarHBondContact OG-OG 3.03Å; S355-A358 PolarHBondContact O-N 2.92Å; S355-A358 WeakPolarHBondContact OG-CB 3.36Å; S355-A358 PolarHBondContact OG-N 2.87Å; S355-M359 PolarHBondContact O-N 3.32Å; S355-M359 VanDerWaalsContact O-N 3.08Å
356	D	81.7	Confident	89.8	Confident	96 Å²	96	47.2 Å²	47.2	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-34.9	176.1	-61.9	-18.3	0	0	0	111.2	Y354 A358 M359 L360	Y354-D356 PolarHBondContact OH-OD1 3.48Å; D356-A358 PolarHBondContact O-N 3Å; D356-M359 PolarHBondContact O-N 3.49Å; D356-L360 WeakPolarHBondContact O-CB 3.49Å; D356-L360 VanDerWaalsContact O-CG 3.24Å; D356-L360 WeakPolarHBondContact O-CG 3.34Å; D356-L360 PolarHBondContact O-N 3.36Å
357	S	82.5	Confident	89.4	Confident	58 Å²	58	51.9 Å²	51.9	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-40.4	174.6	66.5	0	0	0	0	113.3	S355 Q361	S355-S357 PolarHBondContact O-N 3.24Å; S355-S357 PolarHBondContact OG-OG 3.03Å; S357-Q361 VanDerWaalsContact O-CG 3.3Å; S357-Q361 WeakPolarHBondContact O-CG 3.13Å; S357-Q361 PolarHBondContact O-N 3.28Å
358	A	88.8	Confident	89	Confident	20 Å²	20	53 Å²	53	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-71.1	-37.9	178.4	0	0	0	0	0	111.4	F342 S355 D356 Q361 A362	F342-A358 HydrophobicContact CD2-CB 4.47Å; F342-A358 HydrophobicContact CE2-CB 3.91Å; S355-A358 PolarHBondContact O-N 2.92Å; S355-A358 WeakPolarHBondContact OG-CB 3.36Å; S355-A358 PolarHBondContact OG-N 2.87Å; D356-A358 PolarHBondContact O-N 3Å; A358-Q361 PolarHBondContact O-N 2.83Å; A358-A362 PolarHBondContact O-N 2.89Å
359	M	90.3	Very high	88.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-44.9	174.3	-71.4	-56.3	-49.5	0	0	112.3	F330 F334 V338 F339 F342 Y354 S355 D356 Q361 A362 Q363	F330-M359 HydrophobicContact CE2-CE 3.54Å; F330-M359 HydrophobicContact CE2-CG 4.33Å; F330-M359 HydrophobicContact CE2-SD 3.98Å; F330-M359 HydrophobicContact CZ-CE 3.44Å; F330-M359 VanDerWaalsContact CZ-CE 3.44Å; F330-M359 HydrophobicContact CZ-SD 4.31Å; F334-M359 HydrophobicContact CB-CE 4.02Å; F334-M359 HydrophobicContact CD1-CB 4.13Å; F334-M359 HydrophobicContact CD1-CE 4.28Å; F334-M359 HydrophobicContact CD2-CB 4.1Å; F334-M359 HydrophobicContact CD2-CE 4.26Å; F334-M359 HydrophobicContact CD2-CG 4.28Å; F334-M359 HydrophobicContact CE1-CB 3.73Å; F334-M359 HydrophobicContact CE2-CB 3.7Å; F334-M359 HydrophobicContact CE2-CG 4.11Å; F334-M359 HydrophobicContact CG-CB 4.31Å; F334-M359 HydrophobicContact CG-CE 3.93Å; F334-M359 HydrophobicContact CZ-CB 3.5Å; F334-M359 VanDerWaalsContact CZ-CB 3.5Å; F334-M359 HydrophobicContact CZ-CG 4.41Å; V338-M359 HydrophobicContact CB-CE 4.24Å; V338-M359 HydrophobicContact CG1-CE 3.48Å; V338-M359 VanDerWaalsContact CG1-CE 3.48Å; F339-M359 HydrophobicContact CD2-SD 4.44Å; F342-M359 HydrophobicContact CB-CE 4.44Å; F342-M359 HydrophobicContact CB-SD 3.98Å; F342-M359 HydrophobicContact CD1-SD 4Å; F342-M359 HydrophobicContact CD2-SD 4.05Å; F342-M359 HydrophobicContact CG-SD 3.74Å; Y354-M359 HydrophobicContact CD2-CG 4.24Å; Y354-M359 HydrophobicContact CE2-CG 3.58Å; Y354-M359 HydrophobicContact CE2-SD 4.13Å; S355-M359 PolarHBondContact O-N 3.32Å; S355-M359 VanDerWaalsContact O-N 3.08Å; D356-M359 PolarHBondContact O-N 3.49Å; M359-Q361 VanDerWaalsContact C-N 3.34Å; M359-Q361 PolarHBondContact O-N 2.85Å; M359-A362 WeakPolarHBondContact O-CB 3.32Å; M359-A362 PolarHBondContact O-N 3.04Å; M359-Q363 PolarHBondContact O-N 2.95Å
360	L	85.2	Confident	88.4	Confident	69 Å²	69	49.7 Å²	49.7	36%	0.361	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-39.9	175.9	-73.5	168.6	0	0	0	111.7	F334 D356 Q363 Q364	F334-L360 HydrophobicContact CE1-CD2 4.04Å; F334-L360 HydrophobicContact CE1-CG 4.25Å; F334-L360 HydrophobicContact CZ-CD2 4.42Å; F334-L360 HydrophobicContact CZ-CG 4.3Å; D356-L360 WeakPolarHBondContact O-CB 3.49Å; D356-L360 VanDerWaalsContact O-CG 3.24Å; D356-L360 WeakPolarHBondContact O-CG 3.34Å; D356-L360 PolarHBondContact O-N 3.36Å; L360-Q363 WeakPolarHBondContact O-CB 3.29Å; L360-Q363 PolarHBondContact O-N 3.06Å; L360-Q364 WeakPolarHBondContact O-CB 3.15Å; L360-Q364 VanDerWaalsContact O-CG 3.29Å; L360-Q364 WeakPolarHBondContact O-CG 3.28Å; L360-Q364 PolarHBondContact O-N 2.86Å
361	Q	88.4	Confident	88.2	Confident	94 Å²	94	49 Å²	49	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-43.2	173.6	-73.8	177	10.8	0	0	112.1	S357 A358 M359 Q363 Q364 Q365	S357-Q361 VanDerWaalsContact O-CG 3.3Å; S357-Q361 WeakPolarHBondContact O-CG 3.13Å; S357-Q361 PolarHBondContact O-N 3.28Å; A358-Q361 PolarHBondContact O-N 2.83Å; M359-Q361 VanDerWaalsContact C-N 3.34Å; M359-Q361 PolarHBondContact O-N 2.85Å; Q361-Q363 VanDerWaalsContact C-N 3.31Å; Q361-Q363 PolarHBondContact O-N 2.91Å; Q361-Q364 PolarHBondContact O-N 3.25Å; Q361-Q365 WeakPolarHBondContact O-CG 3.44Å; Q361-Q365 PolarHBondContact O-N 3.36Å; Q361-Q365 VanDerWaalsContact O-N 3.07Å
362	A	93	Very high	88.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-42.3	175.4	0	0	0	0	0	111.2	V338 F341 F342 A358 M359 Q365 L366	V338-A362 HydrophobicContact CG1-CB 4.11Å; F341-A362 HydrophobicContact CD1-CB 4.03Å; F342-A362 HydrophobicContact CB-CB 3.95Å; A358-A362 PolarHBondContact O-N 2.89Å; M359-A362 WeakPolarHBondContact O-CB 3.32Å; M359-A362 PolarHBondContact O-N 3.04Å; A362-Q365 PolarHBondContact O-N 2.64Å; A362-L366 WeakPolarHBondContact O-CB 3.39Å; A362-L366 PolarHBondContact O-N 3.13Å
363	Q	90	Very high	88.6	Confident	63 Å²	63	45.3 Å²	45.3	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-46.2	176.2	-175.3	177.6	64.9	0	0	111.9	V338 M359 L360 Q361 Q365 L366 L367	V338-Q363 HydrophobicContact CG1-CB 3.84Å; V338-Q363 HydrophobicContact CG2-CB 3.94Å; V338-Q363 HydrophobicContact CG2-CG 3.97Å; M359-Q363 PolarHBondContact O-N 2.95Å; L360-Q363 WeakPolarHBondContact O-CB 3.29Å; L360-Q363 PolarHBondContact O-N 3.06Å; Q361-Q363 VanDerWaalsContact C-N 3.31Å; Q361-Q363 PolarHBondContact O-N 2.91Å; Q363-Q365 VanDerWaalsContact C-N 3.32Å; Q363-Q365 PolarHBondContact O-N 3.36Å; Q363-L366 PolarHBondContact O-N 3.47Å; Q363-L367 HydrophobicContact CG-CD1 4.07Å; Q363-L367 HydrophobicContact CG-CG 4.41Å; Q363-L367 WeakPolarHBondContact O-CB 3.35Å; Q363-L367 WeakPolarHBondContact O-CG 3.11Å; Q363-L367 PolarHBondContact O-N 2.98Å
364	Q	88.1	Confident	88.8	Confident	126 Å²	126	43.3 Å²	43.3	59%	0.589	24%	0.241	S	C	*	.	H	α-helix	trans	-60	-40.7	178.2	-74.6	171.1	-12.8	0	0	112.2	L360 Q361 L367 A368	L360-Q364 WeakPolarHBondContact O-CB 3.15Å; L360-Q364 VanDerWaalsContact O-CG 3.29Å; L360-Q364 WeakPolarHBondContact O-CG 3.28Å; L360-Q364 PolarHBondContact O-N 2.86Å; Q361-Q364 PolarHBondContact O-N 3.25Å; Q364-L367 PolarHBondContact O-N 3.07Å; Q364-A368 WeakPolarHBondContact O-CB 3.47Å; Q364-A368 PolarHBondContact O-N 2.9Å
365	Q	92.9	Very high	89	Confident	51 Å²	51	43.7 Å²	43.7	24%	0.238	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-40.3	176.5	-71.8	175.9	-46.4	0	0	112	F341 R345 Q361 A362 Q363 A368 L369	F341-Q365 HydrophobicContact CE1-CB 3.59Å; F341-Q365 HydrophobicContact CE1-CG 4.49Å; F341-Q365 HydrophobicContact CZ-CB 3.95Å; R345-Q365 VanDerWaalsContact CD-OE1 3.26Å; R345-Q365 VanDerWaalsContact NE-OE1 3.15Å; Q361-Q365 WeakPolarHBondContact O-CG 3.44Å; Q361-Q365 PolarHBondContact O-N 3.36Å; Q361-Q365 VanDerWaalsContact O-N 3.07Å; A362-Q365 PolarHBondContact O-N 2.64Å; Q363-Q365 VanDerWaalsContact C-N 3.32Å; Q363-Q365 PolarHBondContact O-N 3.36Å; Q365-A368 PolarHBondContact O-N 3.31Å; Q365-L369 WeakPolarHBondContact O-CG 3.31Å; Q365-L369 PolarHBondContact O-N 3.01Å
366	L	92.2	Very high	89.3	Confident	21 Å²	21	42.8 Å²	42.8	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-43	176	-162.9	71.6	0	0	0	111.7	D337 V338 F341 A362 Q363 L369 G370 I465 L467	D337-L366 HydrophobicContact CB-CD2 3.9Å; V338-L366 HydrophobicContact CG2-CD2 4.24Å; F341-L366 HydrophobicContact CB-CD1 4.26Å; F341-L366 HydrophobicContact CD2-CD1 3.78Å; F341-L366 HydrophobicContact CE2-CD1 4.39Å; F341-L366 HydrophobicContact CG-CD1 4.09Å; A362-L366 WeakPolarHBondContact O-CB 3.39Å; A362-L366 PolarHBondContact O-N 3.13Å; Q363-L366 PolarHBondContact O-N 3.47Å; L366-L369 WeakPolarHBondContact O-CB 3.19Å; L366-L369 PolarHBondContact O-N 2.83Å; L366-G370 PolarHBondContact O-N 2.91Å; L366-I465 HydrophobicContact CD1-CG2 3.9Å; L366-L467 HydrophobicContact CD1-CD2 3.36Å; L366-L467 HydrophobicContact CG-CD2 4.09Å
367	L	86.7	Confident	89.8	Confident	116 Å²	116	40 Å²	40	61%	0.607	22%	0.22	S	C	*	.	H	α-helix	trans	-63.1	-40.4	174.5	-72	172.7	0	0	0	111.9	Q363 Q364 L369 G370 S371	Q363-L367 HydrophobicContact CG-CD1 4.07Å; Q363-L367 HydrophobicContact CG-CG 4.41Å; Q363-L367 WeakPolarHBondContact O-CB 3.35Å; Q363-L367 WeakPolarHBondContact O-CG 3.11Å; Q363-L367 PolarHBondContact O-N 2.98Å; Q364-L367 PolarHBondContact O-N 3.07Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 PolarHBondContact O-N 2.79Å; L367-G370 PolarHBondContact O-N 3.36Å; L367-S371 PolarHBondContact O-N 3.47Å
368	A	87.9	Confident	90.1	Very high	50 Å²	50	37.5 Å²	37.5	41%	0.413	20%	0.203	S	C	.	.	H	α-helix	trans	-63.3	-38	176.3	0	0	0	0	0	112.2	Q364 Q365 F372	Q364-A368 WeakPolarHBondContact O-CB 3.47Å; Q364-A368 PolarHBondContact O-N 2.9Å; Q365-A368 PolarHBondContact O-N 3.31Å; A368-F372 PolarHBondContact O-N 2.95Å
369	L	93.4	Very high	90.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-46	172.5	-74.9	167.1	0	0	0	111.6	F341 Q365 L366 L367 S371 F372 L373 I422 L423 A426 F456 F460 L467	F341-L369 HydrophobicContact CE2-CD1 3.92Å; F341-L369 HydrophobicContact CZ-CD1 4.27Å; Q365-L369 WeakPolarHBondContact O-CG 3.31Å; Q365-L369 PolarHBondContact O-N 3.01Å; L366-L369 WeakPolarHBondContact O-CB 3.19Å; L366-L369 PolarHBondContact O-N 2.83Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 PolarHBondContact O-N 2.79Å; L369-S371 PolarHBondContact O-N 3.46Å; L369-F372 WeakPolarHBondContact O-CB 3.5Å; L369-F372 PolarHBondContact O-N 2.89Å; L369-L373 WeakPolarHBondContact O-CG 3.35Å; L369-L373 PolarHBondContact O-N 2.63Å; L369-I422 HydrophobicContact CD2-CG2 3.98Å; L369-L423 HydrophobicContact CD1-CD2 3.91Å; L369-L423 HydrophobicContact CD2-CD2 3.93Å; L369-L423 HydrophobicContact CG-CD2 3.77Å; L369-A426 HydrophobicContact CD2-CB 3.75Å; L369-F456 HydrophobicContact CD2-CD2 4.32Å; L369-F456 HydrophobicContact CD2-CE2 3.94Å; L369-F460 HydrophobicContact CD1-CE1 4.37Å; L369-F460 HydrophobicContact CD1-CE2 4.05Å; L369-F460 HydrophobicContact CD1-CZ 3.53Å; L369-L467 HydrophobicContact CB-CD2 4.44Å
370	G	89.1	Confident	90.2	Very high	21 Å²	21	40 Å²	40	22%	0.216	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-46.9	175.1	0	0	0	0	0	112.3	L366 L367 F372 L373 E374	L366-G370 PolarHBondContact O-N 2.91Å; L367-G370 PolarHBondContact O-N 3.36Å; G370-F372 VanDerWaalsContact C-N 3.32Å; G370-F372 PolarHBondContact O-N 3.47Å; G370-L373 PolarHBondContact O-N 3.22Å; G370-E374 PolarHBondContact O-N 3.14Å
371	S	87.9	Confident	90.3	Very high	41 Å²	41	42 Å²	42	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-39.8	177.3	-172.1	0	0	0	0	112.4	L367 L369 E374 D375	L367-S371 PolarHBondContact O-N 3.47Å; L369-S371 PolarHBondContact O-N 3.46Å; S371-E374 PolarHBondContact O-N 3.43Å; S371-D375 WeakPolarHBondContact O-CB 3.28Å; S371-D375 PolarHBondContact O-N 2.91Å
372	F	93.3	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-45.1	175	165.5	-117	0	0	0	111.7	A368 L369 G370 E374 D375 A376 A426 N430 L433 F449 I452 F456	A368-F372 PolarHBondContact O-N 2.95Å; L369-F372 WeakPolarHBondContact O-CB 3.5Å; L369-F372 PolarHBondContact O-N 2.89Å; G370-F372 VanDerWaalsContact C-N 3.32Å; G370-F372 PolarHBondContact O-N 3.47Å; F372-E374 VanDerWaalsContact C-N 3.32Å; F372-E374 PolarHBondContact O-N 3.46Å; F372-D375 PolarHBondContact O-N 2.95Å; F372-A376 HydrophobicContact CE2-CB 4.35Å; F372-A376 VanDerWaalsContact O-CB 3.3Å; F372-A376 WeakPolarHBondContact O-CB 3.44Å; F372-A376 PolarHBondContact O-N 3.3Å; F372-A426 HydrophobicContact CD1-CB 3.77Å; F372-A426 HydrophobicContact CE1-CB 4.21Å; F372-A426 HydrophobicContact CG-CB 4.15Å; F372-N430 HydrophobicContact CD2-CB 4.46Å; F372-N430 WeakPolarHBondContact CD2-OD1 3.07Å; F372-L433 HydrophobicContact CD2-CD1 4.34Å; F372-L433 HydrophobicContact CE2-CD1 4.15Å; F372-F449 HydrophobicContact CE2-CD1 4.4Å; F372-F449 HydrophobicContact CE2-CE1 4.12Å; F372-F449 HydrophobicContact CZ-CD1 4.42Å; F372-F449 HydrophobicContact CZ-CE1 4.44Å; F372-I452 HydrophobicContact CE1-CG2 3.66Å; F372-I452 HydrophobicContact CZ-CG2 3.79Å; F372-F456 HydrophobicContact CD1-CD2 4.23Å; F372-F456 AromaticContact CD1-CE2 3.76Å; F372-F456 HydrophobicContact CD1-CE2 3.76Å; F372-F456 HydrophobicContact CE1-CD2 4.11Å; F372-F456 AromaticContact CE1-CE2 3.57Å; F372-F456 HydrophobicContact CE1-CE2 3.57Å; F372-F456 HydrophobicContact CE1-CZ 4.26Å
373	L	93	Very high	89.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-42.3	178.8	-67.9	-179.6	0	0	0	111.3	L369 G370 A376 R377 I453 F456 L467	L369-L373 WeakPolarHBondContact O-CG 3.35Å; L369-L373 PolarHBondContact O-N 2.63Å; G370-L373 PolarHBondContact O-N 3.22Å; L373-A376 PolarHBondContact O-N 3.27Å; L373-R377 WeakPolarHBondContact O-CG 3.36Å; L373-R377 PolarHBondContact O-N 3.29Å; L373-I453 HydrophobicContact CD2-CB 4.19Å; L373-I453 HydrophobicContact CD2-CG1 3.77Å; L373-I453 HydrophobicContact CD2-CG2 4.34Å; L373-F456 HydrophobicContact CD2-CB 4.12Å; L373-F456 HydrophobicContact CD2-CD2 3.9Å; L373-F456 HydrophobicContact CD2-CG 4.42Å; L373-L467 HydrophobicContact CD1-CB 3.98Å; L373-L467 HydrophobicContact CD1-CD1 3.64Å
374	E	89.1	Confident	89.4	Confident	47 Å²	47	39.4 Å²	39.4	22%	0.22	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-40.7	177	-70.3	-53.8	116.2	0	0	112.6	G370 S371 F372 A376 R377 A378	G370-E374 PolarHBondContact O-N 3.14Å; S371-E374 PolarHBondContact O-N 3.43Å; F372-E374 VanDerWaalsContact C-N 3.32Å; F372-E374 PolarHBondContact O-N 3.46Å; E374-A376 VanDerWaalsContact C-N 3.33Å; E374-A376 PolarHBondContact O-N 3.37Å; E374-R377 PolarHBondContact O-N 2.77Å; E374-R377 IonicContact OE1-NE 3.96Å; E374-R377 PolarHBondContact OE1-NE 3.23Å; E374-A378 WeakPolarHBondContact O-CB 3.16Å; E374-A378 PolarHBondContact O-N 3.23Å
375	D	90.1	Very high	89.1	Confident	23 Å²	23	34.6 Å²	34.6	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-42.8	173.6	-74.5	-12.7	0	0	0	111.5	S371 F372 A378 Y379 L384 L433 R542	S371-D375 WeakPolarHBondContact O-CB 3.28Å; S371-D375 PolarHBondContact O-N 2.91Å; F372-D375 PolarHBondContact O-N 2.95Å; D375-A378 PolarHBondContact O-N 3.14Å; D375-Y379 PolarHBondContact O-N 3.44Å; D375-L384 HydrophobicContact CB-CD2 4.3Å; D375-L433 HydrophobicContact CB-CD1 3.94Å; D375-R542 IonicContact OD1-CZ 2.66Å; D375-R542 IonicContact OD1-NH1 2.62Å; D375-R542 PolarHBondContact OD1-NH1 2.65Å; D375-R542 IonicContact OD1-NH2 2.9Å; D375-R542 PolarHBondContact OD1-NH2 3.33Å; D375-R542 IonicContact OD2-NH1 3.37Å
376	A	92.7	Very high	88.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-41.9	176.4	0	0	0	0	0	111.5	F372 L373 E374 Y379 M380 L433 F449 I453	F372-A376 HydrophobicContact CE2-CB 4.35Å; F372-A376 VanDerWaalsContact O-CB 3.3Å; F372-A376 WeakPolarHBondContact O-CB 3.44Å; F372-A376 PolarHBondContact O-N 3.3Å; L373-A376 PolarHBondContact O-N 3.27Å; E374-A376 VanDerWaalsContact C-N 3.33Å; E374-A376 PolarHBondContact O-N 3.37Å; A376-Y379 PolarHBondContact O-N 2.9Å; A376-M380 VanDerWaalsContact O-CG 3.27Å; A376-M380 WeakPolarHBondContact O-CG 3.07Å; A376-M380 PolarHBondContact O-N 3.36Å; A376-L433 HydrophobicContact CB-CD1 4.05Å; A376-F449 HydrophobicContact CB-CB 4.2Å; A376-F449 HydrophobicContact CB-CD1 3.78Å; A376-F449 HydrophobicContact CB-CG 4.25Å; A376-I453 HydrophobicContact CB-CD1 3.78Å; A376-I453 HydrophobicContact CB-CG1 4.05Å
377	R	92.3	Very high	88	Confident	36 Å²	36	33.2 Å²	33.2	14%	0.136	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-43.1	173.5	-72.7	-172.3	-150.6	-83.5	5.4	111.9	L373 E374 Y379 M380 K381 I453 E457	L373-R377 WeakPolarHBondContact O-CG 3.36Å; L373-R377 PolarHBondContact O-N 3.29Å; E374-R377 PolarHBondContact O-N 2.77Å; E374-R377 IonicContact OE1-NE 3.96Å; E374-R377 PolarHBondContact OE1-NE 3.23Å; R377-Y379 VanDerWaalsContact C-N 3.33Å; R377-Y379 PolarHBondContact O-N 3.31Å; R377-M380 CarbonylContact O-C 3.55Å; R377-M380 WeakPolarHBondContact O-CB 3.45Å; R377-M380 PolarHBondContact O-N 3.13Å; R377-K381 WeakPolarHBondContact O-CG 3.26Å; R377-K381 PolarHBondContact O-N 2.95Å; R377-I453 HydrophobicContact CG-CD1 3.78Å; R377-E457 IonicContact CZ-OE1 2.68Å; R377-E457 IonicContact NH1-OE1 2.79Å; R377-E457 PolarHBondContact NH1-OE1 3.5Å; R377-E457 IonicContact NH2-OE1 3.55Å; R377-E457 PolarHBondContact NH2-OE1 3.13Å
378	A	87.9	Confident	88	Confident	6 Å²	6	32.2 Å²	32.2	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-42.9	177.6	0	0	0	0	0	111	E374 D375 M380 K381 G382 Q383 L384 T548	E374-A378 WeakPolarHBondContact O-CB 3.16Å; E374-A378 PolarHBondContact O-N 3.23Å; D375-A378 PolarHBondContact O-N 3.14Å; A378-M380 PolarHBondContact O-N 3.26Å; A378-K381 CarbonylContact O-C 3.58Å; A378-K381 PolarHBondContact O-N 2.91Å; A378-K381 VanDerWaalsContact O-N 3.14Å; A378-G382 PolarHBondContact O-N 2.9Å; A378-G382 VanDerWaalsContact O-N 3.11Å; A378-Q383 HydrophobicContact CB-CB 4.21Å; A378-Q383 PolarHBondContact O-N 3.4Å; A378-L384 HydrophobicContact CB-CB 3.94Å; A378-L384 PolarHBondContact O-N 2.57Å; A378-T548 HydrophobicContact CB-CG2 4.21Å
379	Y	90.6	Very high	88	Confident	16 Å²	16	30.4 Å²	30.4	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-45.2	172	176.4	-99.7	0	0	0	112.1	D375 A376 R377 K381 G382 C386 V389 L433 R444 S445 F449	D375-Y379 PolarHBondContact O-N 3.44Å; A376-Y379 PolarHBondContact O-N 2.9Å; R377-Y379 VanDerWaalsContact C-N 3.33Å; R377-Y379 PolarHBondContact O-N 3.31Å; Y379-K381 PolarHBondContact O-N 3.24Å; Y379-G382 PolarHBondContact O-N 3.36Å; Y379-C386 WeakPolarHBondContact CD2-SG 3.49Å; Y379-C386 WeakPolarHBondContact CE2-SG 3.07Å; Y379-V389 HydrophobicContact CE1-CG2 4.46Å; Y379-V389 HydrophobicContact CE2-CG2 3.94Å; Y379-V389 WeakPolarHBondContact OH-CG2 3.47Å; Y379-L433 HydrophobicContact CD1-CD2 4.16Å; Y379-L433 HydrophobicContact CD2-CD2 3.9Å; Y379-L433 HydrophobicContact CG-CD2 3.6Å; Y379-R444 HydrophobicContact CE2-CB 4.3Å; Y379-R444 PolarHBondContact O-NH1 3.49Å; Y379-S445 WeakPolarHBondContact CE1-O 3.5Å; Y379-F449 AromaticContact CD1-CD2 3.37Å; Y379-F449 HydrophobicContact CD1-CD2 3.37Å; Y379-F449 AromaticContact CD1-CE2 3.74Å; Y379-F449 HydrophobicContact CD1-CE2 3.74Å; Y379-F449 HydrophobicContact CD1-CG 4.23Å; Y379-F449 AromaticContact CE1-CD2 3.5Å; Y379-F449 HydrophobicContact CE1-CD2 3.5Å; Y379-F449 VanDerWaalsContact CE1-CD2 3.5Å; Y379-F449 AromaticContact CE1-CE2 3.72Å; Y379-F449 HydrophobicContact CE1-CE2 3.72Å; Y379-F449 HydrophobicContact CG-CD2 4.37Å; Y379-F449 HydrophobicContact CG-CE2 4.44Å
380	M	90	Very high	87.9	Confident	58 Å²	58	37.8 Å²	37.8	29%	0.286	22%	0.217	S	C	.	.	H	α-helix	trans	-64.9	-18.6	176.1	-71.1	176.9	65.9	0	0	114.3	A376 R377 A378 R444 P446 F449 G450 I453	A376-M380 VanDerWaalsContact O-CG 3.27Å; A376-M380 WeakPolarHBondContact O-CG 3.07Å; A376-M380 PolarHBondContact O-N 3.36Å; R377-M380 CarbonylContact O-C 3.55Å; R377-M380 WeakPolarHBondContact O-CB 3.45Å; R377-M380 PolarHBondContact O-N 3.13Å; A378-M380 PolarHBondContact O-N 3.26Å; M380-R444 PolarHBondContact O-NH1 3.04Å; M380-R444 PolarHBondContact O-NH2 3.02Å; M380-P446 HydrophobicContact CB-CB 3.98Å; M380-P446 HydrophobicContact CE-CB 4.32Å; M380-P446 HydrophobicContact CG-CB 3.72Å; M380-F449 HydrophobicContact CG-CB 4.01Å; M380-F449 HydrophobicContact SD-CB 4.14Å; M380-G450 WeakPolarHBondContact SD-CA 3.26Å; M380-G450 PolarHBondContact SD-N 3.26Å; M380-I453 HydrophobicContact SD-CD1 3.57Å; M380-I453 VanDerWaalsContact SD-CD1 3.57Å
381	K	88.2	Confident	88	Confident	109 Å²	109	39.3 Å²	39.3	47%	0.474	22%	0.219	S	C	.	.	H	α-helix	trans	-95.5	-5.2	172.9	-69.2	174.8	-179.4	-179.8	0	113.2	R377 A378 Y379 Q383	R377-K381 WeakPolarHBondContact O-CG 3.26Å; R377-K381 PolarHBondContact O-N 2.95Å; A378-K381 CarbonylContact O-C 3.58Å; A378-K381 PolarHBondContact O-N 2.91Å; A378-K381 VanDerWaalsContact O-N 3.14Å; Y379-K381 PolarHBondContact O-N 3.24Å; K381-Q383 HydrophobicContact CB-CG 3.86Å; K381-Q383 PolarHBondContact O-N 2.8Å
382	G	85.3	Confident	88.2	Confident	45 Å²	45	42.4 Å²	42.4	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	13.2	-171.9	0	0	0	0	0	113.8	A378 Y379 L384	A378-G382 PolarHBondContact O-N 2.9Å; A378-G382 VanDerWaalsContact O-N 3.11Å; Y379-G382 PolarHBondContact O-N 3.36Å; G382-L384 VanDerWaalsContact C-N 3.33Å
383	Q	82.8	Confident	88.3	Confident	54 Å²	54	44.3 Å²	44.3	25%	0.252	25%	0.245	S	C	.	.			trans	-85.9	-7.5	177.1	-62.5	171.6	-34.8	0	0	112.5	A378 K381 E487 T546 T548	A378-Q383 HydrophobicContact CB-CB 4.21Å; A378-Q383 PolarHBondContact O-N 3.4Å; K381-Q383 HydrophobicContact CB-CG 3.86Å; K381-Q383 PolarHBondContact O-N 2.8Å; Q383-E487 PolarHBondContact NE2-OE1 2.87Å; Q383-T546 WeakPolarHBondContact O-CG2 3.29Å; Q383-T548 HydrophobicContact CB-CG2 3.89Å
384	L	83.9	Confident	88.4	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.026	24%	0.244	C	C	.	.	S	Bend	trans	-123.5	110.7	174.5	-174	73.3	0	0	0	109.5	D375 A378 G382 L433 R542	D375-L384 HydrophobicContact CB-CD2 4.3Å; A378-L384 HydrophobicContact CB-CB 3.94Å; A378-L384 PolarHBondContact O-N 2.57Å; G382-L384 VanDerWaalsContact C-N 3.33Å; L384-L433 HydrophobicContact CD2-CB 3.99Å; L384-L433 HydrophobicContact CD2-CD2 4.19Å; L384-L433 HydrophobicContact CD2-CG 4.5Å; L384-R542 HydrophobicContact CD1-CB 4.48Å; L384-R542 HydrophobicContact CD1-CG 4.04Å
385	A	81.6	Confident	88.8	Confident	25 Å²	25	47.1 Å²	47.1	21%	0.207	25%	0.254	C	S	.	.			trans	-84.7	117.4	171.2	0	0	0	0	0	109.8	A435 T436	A385-A435 WeakPolarHBondContact O-CA 3.2Å; A385-T436 PolarHBondContact O-N 3.34Å; A385-T436 VanDerWaalsContact O-N 3.12Å
386	C	82.8	Confident	89.2	Confident	4 Å²	4	52 Å²	52	3%	0.027	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-129.3	179.1	175.5	66.7	0	0	0	0	110.7	Y379 R434 T436	Y379-C386 WeakPolarHBondContact CD2-SG 3.49Å; Y379-C386 WeakPolarHBondContact CE2-SG 3.07Å; C386-R434 WeakPolarHBondContact CA-O 3.26Å; C386-R434 VanDerWaalsContact CB-O 3.28Å; C386-R434 WeakPolarHBondContact CB-O 3.39Å; C386-T436 WeakPolarHBondContact O-CG2 3.47Å
387	G	80.6	Confident	89.5	Confident	38 Å²	38	56.6 Å²	56.6	39%	0.392	29%	0.293	S	S	.	.	S	Bend	trans	-67.3	-174.6	179.2	0	0	0	0	0	112.2	V389	G387-V389 PolarHBondContact O-N 3.23Å; G387-V389 VanDerWaalsContact O-N 3.12Å
388	S	84.9	Confident	89.8	Confident	95 Å²	95	55 Å²	55	66%	0.664	29%	0.287	S	S	*	.			trans	-62.6	117.8	169.5	-178.8	0	0	0	0	109.3
389	V	89.1	Confident	90.3	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.079	30%	0.301	C	S	.	.			trans	-78.8	130.5	177.4	173.7	0	0	0	0	109.1	Y379 G387 E391 L394 E432 F449	Y379-V389 HydrophobicContact CE1-CG2 4.46Å; Y379-V389 HydrophobicContact CE2-CG2 3.94Å; Y379-V389 WeakPolarHBondContact OH-CG2 3.47Å; G387-V389 PolarHBondContact O-N 3.23Å; G387-V389 VanDerWaalsContact O-N 3.12Å; V389-E391 VanDerWaalsContact C-N 3.32Å; V389-E391 HydrophobicContact CB-CG 4.47Å; V389-E391 HydrophobicContact CG1-CG 3.99Å; V389-E391 PolarHBondContact O-N 3.15Å; V389-L394 HydrophobicContact CG1-CD1 3.6Å; V389-E432 HydrophobicContact CG1-CB 4.24Å; V389-E432 HydrophobicContact CG2-CB 4.39Å; V389-F449 HydrophobicContact CG1-CE2 3.83Å; V389-F449 HydrophobicContact CG1-CZ 4.31Å; V389-F449 HydrophobicContact CG2-CE2 4.18Å
390	R	90.6	Very high	90.6	Very high	155 Å²	155	58.8 Å²	58.8	59%	0.585	32%	0.318	S	S	*	.			trans	-82.8	76.6	176.4	-64.6	174.8	-68.8	178.5	-3.3	110.8	V392 M393 L394 E432	R390-V392 PolarHBondContact O-N 2.87Å; R390-M393 HydrophobicContact CB-CB 4.21Å; R390-M393 HydrophobicContact CB-CE 4.05Å; R390-M393 PolarHBondContact O-N 3.43Å; R390-L394 PolarHBondContact O-N 3.47Å; R390-L394 VanDerWaalsContact O-N 3.13Å; R390-E432 WeakPolarHBondContact CB-OE2 3.39Å; R390-E432 IonicContact CZ-OE1 3.3Å; R390-E432 VanDerWaalsContact CZ-OE1 3.3Å; R390-E432 PolarHBondContact N-OE2 3.15Å; R390-E432 IonicContact NE-OE1 3.15Å; R390-E432 PolarHBondContact NE-OE1 3.35Å; R390-E432 VanDerWaalsContact NE-OE1 3.15Å; R390-E432 IonicContact NE-OE2 3.29Å; R390-E432 PolarHBondContact NE-OE2 2.84Å; R390-E432 IonicContact NH2-OE1 2.64Å; R390-E432 PolarHBondContact NH2-OE1 3.1Å
391	E	91.3	Very high	91.1	Very high	53 Å²	53	56.7 Å²	56.7	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-42.5	-172	-68.1	-178	-153.8	0	0	114.2	V389 M393 L394 W395 S445 V448	V389-E391 VanDerWaalsContact C-N 3.32Å; V389-E391 HydrophobicContact CB-CG 4.47Å; V389-E391 HydrophobicContact CG1-CG 3.99Å; V389-E391 PolarHBondContact O-N 3.15Å; E391-M393 VanDerWaalsContact C-N 3.27Å; E391-M393 PolarHBondContact O-N 3.06Å; E391-L394 PolarHBondContact O-N 3.17Å; E391-L394 VanDerWaalsContact O-N 3.1Å; E391-W395 VanDerWaalsContact O-CD1 3.23Å; E391-W395 PolarHBondContact O-N 2.86Å; E391-S445 VanDerWaalsContact CD-CB 3.49Å; E391-S445 WeakPolarHBondContact OE1-CB 3.42Å; E391-S445 PolarHBondContact OE1-OG 3.16Å; E391-S445 VanDerWaalsContact OE2-CB 3.31Å; E391-S445 WeakPolarHBondContact OE2-CB 3.31Å; E391-S445 PolarHBondContact OE2-OG 3.43Å; E391-V448 HydrophobicContact CG-CG1 4.13Å
392	V	93.1	Very high	91.6	Very high	106 Å²	106	55.9 Å²	55.9	64%	0.642	31%	0.305	S	S	*	.	H	α-helix	trans	-56.2	-46.1	179	178.7	0	0	0	0	110.6	R390 L394 W395 E396	R390-V392 PolarHBondContact O-N 2.87Å; V392-L394 PolarHBondContact O-N 3.49Å; V392-W395 PolarHBondContact O-N 2.68Å; V392-E396 WeakPolarHBondContact O-CG 3.35Å; V392-E396 PolarHBondContact O-N 3.49Å
393	M	94.5	Very high	92.2	Very high	40 Å²	40	60.5 Å²	60.5	20%	0.197	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-39.5	177.9	179.6	-84.7	-63.6	0	0	111.9	R390 E391 R397 E432	R390-M393 HydrophobicContact CB-CB 4.21Å; R390-M393 HydrophobicContact CB-CE 4.05Å; R390-M393 PolarHBondContact O-N 3.43Å; E391-M393 VanDerWaalsContact C-N 3.27Å; E391-M393 PolarHBondContact O-N 3.06Å; M393-R397 WeakPolarHBondContact O-CB 3.33Å; M393-R397 VanDerWaalsContact O-CG 3.31Å; M393-R397 WeakPolarHBondContact O-CG 3.43Å; M393-R397 PolarHBondContact O-N 3.41Å; M393-R397 WeakPolarHBondContact SD-CD 3.38Å; M393-R397 HydrophobicContact SD-CG 4.1Å; M393-R397 PolarHBondContact SD-NE 3.12Å; M393-E432 HydrophobicContact CE-CG 4.25Å
394	L	96.1	Very high	93	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.3	-38	176.3	-71.6	-178.8	0	0	0	112.5	V389 R390 E391 V392 R397 L398 E432 V448 F449	V389-L394 HydrophobicContact CG1-CD1 3.6Å; R390-L394 PolarHBondContact O-N 3.47Å; R390-L394 VanDerWaalsContact O-N 3.13Å; E391-L394 PolarHBondContact O-N 3.17Å; E391-L394 VanDerWaalsContact O-N 3.1Å; V392-L394 PolarHBondContact O-N 3.49Å; L394-R397 PolarHBondContact O-N 2.9Å; L394-L398 WeakPolarHBondContact O-CB 3.3Å; L394-L398 PolarHBondContact O-N 3.27Å; L394-E432 HydrophobicContact CD1-CB 4.48Å; L394-E432 HydrophobicContact CD1-CG 4.08Å; L394-E432 HydrophobicContact CD2-CG 4.1Å; L394-E432 HydrophobicContact CG-CG 4.23Å; L394-V448 HydrophobicContact CB-CG1 4.28Å; L394-V448 HydrophobicContact CB-CG2 3.5Å; L394-V448 HydrophobicContact CD1-CG1 3.9Å; L394-F449 HydrophobicContact CD1-CE1 4.17Å; L394-F449 HydrophobicContact CD1-CE2 4.04Å; L394-F449 HydrophobicContact CD1-CZ 3.68Å
395	W	97.7	Very high	93.7	Very high	109 Å²	109	59.4 Å²	59.4	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-45.5	174.4	-81.5	117.5	0	0	0	112.1	E391 V392 R397 L398 A399 A447 V448 A451	E391-W395 VanDerWaalsContact O-CD1 3.23Å; E391-W395 PolarHBondContact O-N 2.86Å; V392-W395 PolarHBondContact O-N 2.68Å; W395-R397 VanDerWaalsContact C-N 3.32Å; W395-R397 PolarHBondContact O-N 3.19Å; W395-L398 HydrophobicContact CE3-CD2 4.07Å; W395-L398 HydrophobicContact CZ3-CD2 3.93Å; W395-L398 PolarHBondContact O-N 3.31Å; W395-A399 WeakPolarHBondContact O-CB 3.32Å; W395-A399 PolarHBondContact O-N 2.98Å; W395-A447 HydrophobicContact CZ2-CB 4.1Å; W395-V448 HydrophobicContact CD2-CB 4.16Å; W395-V448 HydrophobicContact CD2-CG2 3.74Å; W395-V448 HydrophobicContact CE3-CG2 4.3Å; W395-V448 HydrophobicContact CG-CB 4.39Å; W395-V448 HydrophobicContact CG-CG2 3.83Å; W395-V448 HydrophobicContact CZ2-CB 4.04Å; W395-V448 HydrophobicContact CZ2-CG2 4.42Å; W395-A451 HydrophobicContact CH2-CB 3.43Å; W395-A451 VanDerWaalsContact CH2-CB 3.43Å; W395-A451 HydrophobicContact CZ2-CB 4.47Å; W395-A451 HydrophobicContact CZ3-CB 3.53Å
396	E	97.9	Very high	94.5	Very high	125 Å²	125	64.6 Å²	64.6	58%	0.584	33%	0.327	S	S	*	.	H	α-helix	trans	-59.4	-44	175.1	-73.8	173.2	172.1	0	0	111.5	V392 A399 S400	V392-E396 WeakPolarHBondContact O-CG 3.35Å; V392-E396 PolarHBondContact O-N 3.49Å; E396-A399 PolarHBondContact O-N 3.28Å; E396-S400 WeakPolarHBondContact O-CB 3.3Å; E396-S400 PolarHBondContact O-N 3.19Å
397	R	97.9	Very high	95.2	Very high	96 Å²	96	69.8 Å²	69.8	36%	0.362	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-44.7	176.2	-75.6	-175.3	-179.8	-85.4	2.2	112.2	M393 L394 W395 A399 S400 T401 L425 H428	M393-R397 WeakPolarHBondContact O-CB 3.33Å; M393-R397 VanDerWaalsContact O-CG 3.31Å; M393-R397 WeakPolarHBondContact O-CG 3.43Å; M393-R397 PolarHBondContact O-N 3.41Å; M393-R397 WeakPolarHBondContact SD-CD 3.38Å; M393-R397 HydrophobicContact SD-CG 4.1Å; M393-R397 PolarHBondContact SD-NE 3.12Å; L394-R397 PolarHBondContact O-N 2.9Å; W395-R397 VanDerWaalsContact C-N 3.32Å; W395-R397 PolarHBondContact O-N 3.19Å; R397-A399 VanDerWaalsContact C-N 3.32Å; R397-A399 PolarHBondContact O-N 3.43Å; R397-S400 PolarHBondContact O-N 2.99Å; R397-T401 WeakPolarHBondContact O-CB 3.37Å; R397-T401 PolarHBondContact O-N 2.68Å; R397-T401 PolarHBondContact O-OG1 3.17Å; R397-T401 VanDerWaalsContact O-OG1 3.08Å; R397-L425 HydrophobicContact CB-CD1 3.9Å; R397-H428 VanDerWaalsContact CZ-CD2 3.47Å; R397-H428 VanDerWaalsContact CZ-CE1 3.47Å; R397-H428 VanDerWaalsContact CZ-NE2 3.35Å; R397-H428 PolarHBondContact NH1-CD2 2.84Å; R397-H428 PolarHBondContact NH1-NE2 3.17Å; R397-H428 PolarHBondContact NH2-CE1 3.01Å
398	L	98.5	Very high	96.1	Very high	3 Å²	3	68 Å²	68	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-45.9	175.8	176.6	60.9	0	0	0	111	L394 W395 S400 T401 K402 L425 A451 I452 Y455	L394-L398 WeakPolarHBondContact O-CB 3.3Å; L394-L398 PolarHBondContact O-N 3.27Å; W395-L398 HydrophobicContact CE3-CD2 4.07Å; W395-L398 HydrophobicContact CZ3-CD2 3.93Å; W395-L398 PolarHBondContact O-N 3.31Å; L398-S400 PolarHBondContact O-N 2.97Å; L398-T401 PolarHBondContact O-N 3.11Å; L398-K402 HydrophobicContact CD1-CD 4.47Å; L398-K402 HydrophobicContact CD1-CG 4.39Å; L398-K402 HydrophobicContact CG-CD 4.48Å; L398-K402 WeakPolarHBondContact O-CG 3.28Å; L398-K402 PolarHBondContact O-N 3.09Å; L398-L425 HydrophobicContact CB-CD2 4.36Å; L398-L425 HydrophobicContact CD1-CD2 3.77Å; L398-A451 HydrophobicContact CD2-CB 3.64Å; L398-I452 HydrophobicContact CB-CG1 4.41Å; L398-I452 HydrophobicContact CD1-CG1 4.16Å; L398-I452 HydrophobicContact CD2-CG1 4.11Å; L398-I452 HydrophobicContact CG-CG1 4.45Å; L398-Y455 HydrophobicContact CD1-CD1 3.89Å; L398-Y455 HydrophobicContact CD1-CG 4.17Å
399	A	98.5	Very high	96.7	Very high	42 Å²	42	63.7 Å²	63.7	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-42.7	177.1	0	0	0	0	0	112	W395 E396 R397 K402 R403	W395-A399 WeakPolarHBondContact O-CB 3.32Å; W395-A399 PolarHBondContact O-N 2.98Å; E396-A399 PolarHBondContact O-N 3.28Å; R397-A399 VanDerWaalsContact C-N 3.32Å; R397-A399 PolarHBondContact O-N 3.43Å; A399-K402 PolarHBondContact O-N 3.03Å; A399-R403 PolarHBondContact O-N 3.4Å
400	S	98.5	Very high	97.2	Very high	59 Å²	59	64 Å²	64	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-43.4	176	-167.5	0	0	0	0	112.4	E396 R397 L398 R403 A404	E396-S400 WeakPolarHBondContact O-CB 3.3Å; E396-S400 PolarHBondContact O-N 3.19Å; R397-S400 PolarHBondContact O-N 2.99Å; L398-S400 PolarHBondContact O-N 2.97Å; S400-R403 PolarHBondContact O-N 3.45Å; S400-A404 WeakPolarHBondContact O-CB 3.5Å; S400-A404 PolarHBondContact O-N 3.4Å
401	T	98.8	Very high	97.6	Very high	14 Å²	14	58.8 Å²	58.8	9%	0.086	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-43.8	176.5	-64.7	0	0	0	0	110.8	R397 L398 R403 A404 V405 A421 L425 Y455	R397-T401 WeakPolarHBondContact O-CB 3.37Å; R397-T401 PolarHBondContact O-N 2.68Å; R397-T401 PolarHBondContact O-OG1 3.17Å; R397-T401 VanDerWaalsContact O-OG1 3.08Å; L398-T401 PolarHBondContact O-N 3.11Å; T401-R403 PolarHBondContact O-N 3.38Å; T401-A404 PolarHBondContact O-N 3.41Å; T401-V405 HydrophobicContact CG2-CG2 4.18Å; T401-V405 WeakPolarHBondContact O-CB 3.39Å; T401-V405 VanDerWaalsContact O-CG2 3.26Å; T401-V405 WeakPolarHBondContact O-CG2 3.48Å; T401-V405 PolarHBondContact O-N 3.22Å; T401-A421 HydrophobicContact CG2-CB 4.19Å; T401-L425 HydrophobicContact CG2-CB 4.4Å; T401-L425 HydrophobicContact CG2-CD2 4.11Å; T401-Y455 HydrophobicContact CG2-CE1 4.09Å
402	K	98.7	Very high	97.9	Very high	92 Å²	92	56.5 Å²	56.5	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-44.5	176.4	-76	-179	176.9	-173.2	0	112.6	L398 A399 K406 Y455	L398-K402 HydrophobicContact CD1-CD 4.47Å; L398-K402 HydrophobicContact CD1-CG 4.39Å; L398-K402 HydrophobicContact CG-CD 4.48Å; L398-K402 WeakPolarHBondContact O-CG 3.28Å; L398-K402 PolarHBondContact O-N 3.09Å; A399-K402 PolarHBondContact O-N 3.03Å; K402-K406 PolarHBondContact O-N 3.47Å; K402-K406 VanDerWaalsContact O-N 3.11Å; K402-Y455 HydrophobicContact CD-CD2 4.25Å; K402-Y455 HydrophobicContact CD-CE2 4.35Å; K402-Y455 VanDerWaalsContact CE-CD2 3.5Å; K402-Y455 HydrophobicContact CG-CD1 4.34Å; K402-Y455 HydrophobicContact CG-CD2 3.91Å; K402-Y455 HydrophobicContact CG-CE1 4.09Å; K402-Y455 HydrophobicContact CG-CE2 3.62Å; K402-Y455 HydrophobicContact CG-CG 4.25Å
403	R	98.5	Very high	98.2	Very high	143 Å²	143	51.6 Å²	51.6	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-50.9	175.5	-70.9	-168.3	-55.6	-88.7	-1.5	111.7	A399 S400 T401 V405 K406 E407	A399-R403 PolarHBondContact O-N 3.4Å; S400-R403 PolarHBondContact O-N 3.45Å; T401-R403 PolarHBondContact O-N 3.38Å; R403-V405 VanDerWaalsContact C-N 3.28Å; R403-V405 PolarHBondContact O-N 3.06Å; R403-K406 PolarHBondContact O-N 3.3Å; R403-K406 VanDerWaalsContact O-N 3.13Å; R403-E407 WeakPolarHBondContact O-CG 3.31Å; R403-E407 PolarHBondContact O-N 3.31Å
404	A	98.6	Very high	98.4	Very high	31 Å²	31	51.6 Å²	51.6	26%	0.256	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-38.7	-179	0	0	0	0	0	112.4	S400 T401 A408	S400-A404 WeakPolarHBondContact O-CB 3.5Å; S400-A404 PolarHBondContact O-N 3.4Å; T401-A404 PolarHBondContact O-N 3.41Å; A404-A408 VanDerWaalsContact O-CB 3.27Å; A404-A408 WeakPolarHBondContact O-CB 3.25Å; A404-A408 PolarHBondContact O-N 2.86Å
405	V	98.8	Very high	98.5	Very high	4 Å²	4	52 Å²	52	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-47.3	175.2	167.2	0	0	0	0	111	T401 R403 E407 A408 L409 V418 A421 I422 Y455 F459	T401-V405 HydrophobicContact CG2-CG2 4.18Å; T401-V405 WeakPolarHBondContact O-CB 3.39Å; T401-V405 VanDerWaalsContact O-CG2 3.26Å; T401-V405 WeakPolarHBondContact O-CG2 3.48Å; T401-V405 PolarHBondContact O-N 3.22Å; R403-V405 VanDerWaalsContact C-N 3.28Å; R403-V405 PolarHBondContact O-N 3.06Å; V405-E407 VanDerWaalsContact C-N 3.33Å; V405-E407 PolarHBondContact O-N 3.08Å; V405-A408 PolarHBondContact O-N 2.87Å; V405-L409 HydrophobicContact CG1-CD1 3.82Å; V405-L409 HydrophobicContact CG1-CG 4.26Å; V405-L409 WeakPolarHBondContact O-CB 3.44Å; V405-L409 VanDerWaalsContact O-CG 3.25Å; V405-L409 WeakPolarHBondContact O-CG 3.47Å; V405-L409 PolarHBondContact O-N 2.75Å; V405-V418 HydrophobicContact CB-CG1 4.45Å; V405-V418 HydrophobicContact CG1-CG1 3.85Å; V405-V418 HydrophobicContact CG1-CG2 4.12Å; V405-V418 HydrophobicContact CG2-CB 4.48Å; V405-V418 HydrophobicContact CG2-CG1 3.95Å; V405-A421 HydrophobicContact CG2-CB 4.22Å; V405-I422 HydrophobicContact CG2-CG1 4.38Å; V405-Y455 WeakPolarHBondContact CB-OH 3.47Å; V405-Y455 VanDerWaalsContact CG1-OH 3.31Å; V405-Y455 WeakPolarHBondContact CG1-OH 3.45Å; V405-Y455 WeakPolarHBondContact CG2-OH 3.38Å; V405-F459 HydrophobicContact CG1-CD2 4.36Å; V405-F459 HydrophobicContact CG1-CE2 4.42Å
406	K	98.4	Very high	98.5	Very high	134 Å²	134	48.2 Å²	48.2	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-60.7	-43.4	178.4	-173.5	177.2	-179.5	-179.7	0	111.9	K402 R403 L409 A410	K402-K406 PolarHBondContact O-N 3.47Å; K402-K406 VanDerWaalsContact O-N 3.11Å; R403-K406 PolarHBondContact O-N 3.3Å; R403-K406 VanDerWaalsContact O-N 3.13Å; K406-L409 PolarHBondContact O-N 2.86Å; K406-A410 WeakPolarHBondContact O-CB 3.35Å; K406-A410 PolarHBondContact O-N 2.89Å
407	E	98.6	Very high	98.5	Very high	114 Å²	114	47.9 Å²	47.9	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-44.7	176.9	-72.6	168	-171.8	0	0	112	R403 V405 A410 D411	R403-E407 WeakPolarHBondContact O-CG 3.31Å; R403-E407 PolarHBondContact O-N 3.31Å; V405-E407 VanDerWaalsContact C-N 3.33Å; V405-E407 PolarHBondContact O-N 3.08Å; E407-A410 PolarHBondContact O-N 3.26Å; E407-D411 WeakPolarHBondContact O-CB 3.49Å; E407-D411 PolarHBondContact O-N 3.22Å; E407-D411 VanDerWaalsContact O-N 3.07Å
408	A	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-41.2	177.9	0	0	0	0	0	112.3	A404 V405 A410 D411 D414 R417 V418	A404-A408 VanDerWaalsContact O-CB 3.27Å; A404-A408 WeakPolarHBondContact O-CB 3.25Å; A404-A408 PolarHBondContact O-N 2.86Å; V405-A408 PolarHBondContact O-N 2.87Å; A408-A410 VanDerWaalsContact C-N 3.28Å; A408-A410 PolarHBondContact O-N 3.2Å; A408-D411 PolarHBondContact O-N 3.39Å; A408-D411 VanDerWaalsContact O-N 3.16Å; A408-D414 HydrophobicContact CB-CB 4.27Å; A408-D414 WeakPolarHBondContact O-CB 3.4Å; A408-D414 PolarHBondContact O-N 3.48Å; A408-R417 HydrophobicContact CB-CB 3.83Å; A408-V418 HydrophobicContact CB-CG2 3.71Å
409	L	98.7	Very high	98.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-32.9	174.9	-68.8	176.2	0	0	0	112.5	I102 V106 F107 V405 K406 D411 F413 V418	I102-L409 HydrophobicContact CD1-CD2 3.64Å; I102-L409 HydrophobicContact CG1-CD2 4Å; I102-L409 HydrophobicContact CG2-CB 4.25Å; I102-L409 HydrophobicContact CG2-CD1 4.45Å; I102-L409 HydrophobicContact CG2-CD2 4.12Å; V106-L409 HydrophobicContact CG1-CD1 4.32Å; V106-L409 HydrophobicContact CG2-CD1 4.22Å; F107-L409 HydrophobicContact CE2-CB 4.02Å; F107-L409 HydrophobicContact CZ-CB 4.08Å; V405-L409 HydrophobicContact CG1-CD1 3.82Å; V405-L409 HydrophobicContact CG1-CG 4.26Å; V405-L409 WeakPolarHBondContact O-CB 3.44Å; V405-L409 VanDerWaalsContact O-CG 3.25Å; V405-L409 WeakPolarHBondContact O-CG 3.47Å; V405-L409 PolarHBondContact O-N 2.75Å; K406-L409 PolarHBondContact O-N 2.86Å; L409-D411 VanDerWaalsContact C-N 3.29Å; L409-F413 PolarHBondContact O-N 3.34Å; L409-V418 HydrophobicContact CD2-CG2 3.82Å; L409-V418 HydrophobicContact CG-CG2 3.83Å
410	A	98.8	Very high	98.5	Very high	20 Å²	20	46.1 Å²	46.1	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-74.1	-20.6	175.6	0	0	0	0	0	112.6	V51 Q52 F107 K406 E407 A408 D412	V51-A410 CarbonylContact C-O 3.55Å; V51-A410 WeakPolarHBondContact CA-O 3.31Å; Q52-A410 PolarHBondContact N-O 3.3Å; F107-A410 HydrophobicContact CE1-CB 4.01Å; F107-A410 HydrophobicContact CZ-CB 3.85Å; K406-A410 WeakPolarHBondContact O-CB 3.35Å; K406-A410 PolarHBondContact O-N 2.89Å; E407-A410 PolarHBondContact O-N 3.26Å; A408-A410 VanDerWaalsContact C-N 3.28Å; A408-A410 PolarHBondContact O-N 3.2Å; A410-D412 PolarHBondContact O-N 3.47Å
411	D	98.6	Very high	98.5	Very high	45 Å²	45	44.4 Å²	44.4	24%	0.241	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-98.6	79	-179.3	-174	29	0	0	0	111.8	K61 E407 A408 L409 F413 D414	K61-D411 WeakPolarHBondContact CD-OD1 3.43Å; K61-D411 IonicContact NZ-OD1 3.01Å; K61-D411 PolarHBondContact NZ-OD1 3.17Å; K61-D411 IonicContact NZ-OD2 3.92Å; K61-D411 PolarHBondContact NZ-OD2 2.75Å; K61-D411 VanDerWaalsContact NZ-OD2 3.12Å; E407-D411 WeakPolarHBondContact O-CB 3.49Å; E407-D411 PolarHBondContact O-N 3.22Å; E407-D411 VanDerWaalsContact O-N 3.07Å; A408-D411 PolarHBondContact O-N 3.39Å; A408-D411 VanDerWaalsContact O-N 3.16Å; L409-D411 VanDerWaalsContact C-N 3.29Å; D411-F413 PolarHBondContact O-N 3.35Å; D411-D414 PolarHBondContact O-N 2.88Å
412	D	98.4	Very high	98.5	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	38	179.7	-170.2	41.9	0	0	0	113	Q52 Y54 K61 Y348 R349 A410 D414	Q52-D412 WeakPolarHBondContact O-CA 3.47Å; Q52-D412 PolarHBondContact O-N 3.48Å; Y54-D412 VanDerWaalsContact CB-OD2 3.31Å; Y54-D412 WeakPolarHBondContact CB-OD2 3.28Å; Y54-D412 PolarHBondContact N-OD1 2.87Å; K61-D412 HydrophobicContact CD-CB 4.14Å; K61-D412 HydrophobicContact CG-CB 4.47Å; Y348-D412 WeakPolarHBondContact CE1-OD1 3.39Å; Y348-D412 PolarHBondContact OH-OD1 3.49Å; R349-D412 WeakPolarHBondContact CD-OD2 3.26Å; R349-D412 IonicContact CZ-OD2 2.8Å; R349-D412 IonicContact NE-OD2 3.19Å; R349-D412 IonicContact NH1-OD2 2.68Å; R349-D412 PolarHBondContact NH1-OD2 2.78Å; A410-D412 PolarHBondContact O-N 3.47Å; D412-D414 PolarHBondContact O-N 2.94Å
413	F	98.6	Very high	98.5	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	51.1	179	-42.8	-74.4	0	0	0	112.2	V51 V53 I99 I102 L103 Y348 L409 D411 T415	V51-F413 HydrophobicContact CG1-CE1 3.91Å; V51-F413 HydrophobicContact CG1-CE2 4.48Å; V51-F413 HydrophobicContact CG1-CZ 3.83Å; V53-F413 HydrophobicContact CB-CE2 4.48Å; V53-F413 HydrophobicContact CG2-CE2 3.97Å; I99-F413 HydrophobicContact CD1-CD2 4.02Å; I99-F413 HydrophobicContact CD1-CG 4.5Å; I99-F413 HydrophobicContact CG1-CB 4.21Å; I99-F413 HydrophobicContact CG1-CD2 3.93Å; I99-F413 HydrophobicContact CG1-CE2 4.47Å; I99-F413 HydrophobicContact CG1-CG 3.96Å; I99-F413 HydrophobicContact CG2-CD1 4.1Å; I99-F413 HydrophobicContact CG2-CD2 3.82Å; I99-F413 HydrophobicContact CG2-CE1 3.81Å; I99-F413 HydrophobicContact CG2-CE2 3.51Å; I99-F413 HydrophobicContact CG2-CG 4.11Å; I99-F413 HydrophobicContact CG2-CZ 3.5Å; I99-F413 VanDerWaalsContact CG2-CZ 3.5Å; I102-F413 HydrophobicContact CB-CD1 4.45Å; I102-F413 HydrophobicContact CG2-CD1 3.92Å; I102-F413 HydrophobicContact CG2-CE1 4.25Å; L103-F413 HydrophobicContact CD1-CE1 4.34Å; L103-F413 HydrophobicContact CD1-CZ 3.98Å; L103-F413 HydrophobicContact CD2-CE1 3.69Å; L103-F413 HydrophobicContact CD2-CZ 3.83Å; L103-F413 HydrophobicContact CG-CE1 3.73Å; L103-F413 HydrophobicContact CG-CZ 3.87Å; Y348-F413 HydrophobicContact CE1-CD2 4.15Å; L409-F413 PolarHBondContact O-N 3.34Å; D411-F413 PolarHBondContact O-N 3.35Å; F413-T415 PolarHBondContact O-N 2.9Å
414	D	98.6	Very high	98.4	Very high	39 Å²	39	34 Å²	34	21%	0.209	18%	0.178	C	C	.	.			trans	-69.7	75.1	-178.9	-167.8	-25.4	0	0	0	111.8	A408 D411 D412 P416 R417 V418	A408-D414 HydrophobicContact CB-CB 4.27Å; A408-D414 WeakPolarHBondContact O-CB 3.4Å; A408-D414 PolarHBondContact O-N 3.48Å; D411-D414 PolarHBondContact O-N 2.88Å; D412-D414 PolarHBondContact O-N 2.94Å; D414-P416 VanDerWaalsContact C-CD 3.45Å; D414-P416 VanDerWaalsContact OD1-CD 3.28Å; D414-P416 WeakPolarHBondContact OD1-CD 3.43Å; D414-R417 HydrophobicContact CB-CB 4.48Å; D414-R417 PolarHBondContact O-N 3.27Å; D414-R417 WeakPolarHBondContact OD1-CB 3.29Å; D414-R417 WeakPolarHBondContact OD1-CG 3.28Å; D414-R417 PolarHBondContact OD1-N 2.78Å; D414-R417 WeakPolarHBondContact OD2-CD 3.27Å; D414-R417 WeakPolarHBondContact OD2-CG 3.49Å; D414-V418 WeakPolarHBondContact O-CG2 3.43Å; D414-V418 PolarHBondContact O-N 2.6Å
415	T	98.3	Very high	98.4	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-31	178.7	58.1	0	0	0	0	113.9	I98 I102 L344 F413 V418 V419	I98-T415 HydrophobicContact CG2-CG2 4.29Å; I102-T415 HydrophobicContact CD1-CG2 4.25Å; L344-T415 HydrophobicContact CD2-CG2 3.61Å; L344-T415 CarbonylContact O-C 3.42Å; L344-T415 VanDerWaalsContact O-CB 3.31Å; L344-T415 WeakPolarHBondContact O-CB 3.36Å; L344-T415 PolarHBondContact O-OG1 3.24Å; F413-T415 PolarHBondContact O-N 2.9Å; T415-V418 WeakPolarHBondContact O-CB 3.16Å; T415-V418 PolarHBondContact O-N 2.92Å; T415-V419 WeakPolarHBondContact O-CG2 3.36Å; T415-V419 PolarHBondContact O-N 2.96Å
416	P	98.3	Very high	98.3	Very high	29 Å²	29	32.7 Å²	32.7	19%	0.188	17%	0.168	C	C	.	.	H	α-helix	trans	-56.7	-49.6	171.6	-27	35	0	0	0	113	L344 D414 V418 V419 D420	L344-P416 WeakPolarHBondContact O-CD 3.47Å; L344-P416 VanDerWaalsContact O-N 3.15Å; D414-P416 VanDerWaalsContact C-CD 3.45Å; D414-P416 VanDerWaalsContact OD1-CD 3.28Å; D414-P416 WeakPolarHBondContact OD1-CD 3.43Å; P416-V418 PolarHBondContact O-N 3.27Å; P416-V419 PolarHBondContact O-N 3.45Å; P416-D420 PolarHBondContact O-N 3.37Å
417	R	98.6	Very high	98.2	Very high	117 Å²	117	34.3 Å²	34.3	44%	0.442	17%	0.17	S	C	.	.	H	α-helix	trans	-61.5	-35	177.3	-77.2	-179.6	66	-170.1	-5.7	112.4	A408 D414 A421	A408-R417 HydrophobicContact CB-CB 3.83Å; D414-R417 HydrophobicContact CB-CB 4.48Å; D414-R417 PolarHBondContact O-N 3.27Å; D414-R417 WeakPolarHBondContact OD1-CB 3.29Å; D414-R417 WeakPolarHBondContact OD1-CG 3.28Å; D414-R417 PolarHBondContact OD1-N 2.78Å; D414-R417 WeakPolarHBondContact OD2-CD 3.27Å; D414-R417 WeakPolarHBondContact OD2-CG 3.49Å; R417-A421 WeakPolarHBondContact O-CB 3.48Å; R417-A421 PolarHBondContact O-N 2.82Å
418	V	98.6	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-48.8	175.2	172.7	0	0	0	0	111.3	V405 A408 L409 D414 T415 P416 D420 A421 I422 F459	V405-V418 HydrophobicContact CB-CG1 4.45Å; V405-V418 HydrophobicContact CG1-CG1 3.85Å; V405-V418 HydrophobicContact CG1-CG2 4.12Å; V405-V418 HydrophobicContact CG2-CB 4.48Å; V405-V418 HydrophobicContact CG2-CG1 3.95Å; A408-V418 HydrophobicContact CB-CG2 3.71Å; L409-V418 HydrophobicContact CD2-CG2 3.82Å; L409-V418 HydrophobicContact CG-CG2 3.83Å; D414-V418 WeakPolarHBondContact O-CG2 3.43Å; D414-V418 PolarHBondContact O-N 2.6Å; T415-V418 WeakPolarHBondContact O-CB 3.16Å; T415-V418 PolarHBondContact O-N 2.92Å; P416-V418 PolarHBondContact O-N 3.27Å; V418-D420 VanDerWaalsContact C-N 3.32Å; V418-D420 PolarHBondContact O-N 3.02Å; V418-A421 PolarHBondContact O-N 3.1Å; V418-I422 HydrophobicContact CG1-CD1 3.93Å; V418-I422 WeakPolarHBondContact O-CG1 3.37Å; V418-I422 PolarHBondContact O-N 3.21Å; V418-F459 HydrophobicContact CB-CZ 4.43Å; V418-F459 HydrophobicContact CG1-CD2 4.24Å; V418-F459 HydrophobicContact CG1-CE1 3.95Å; V418-F459 HydrophobicContact CG1-CE2 3.36Å; V418-F459 HydrophobicContact CG1-CZ 3.18Å
419	V	98.2	Very high	97.7	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-44	178	170.2	0	0	0	0	110.6	F341 L344 T415 P416 A421 I422 L423	F341-V419 HydrophobicContact CE1-CG1 4.45Å; F341-V419 HydrophobicContact CE2-CG1 4.23Å; F341-V419 HydrophobicContact CE2-CG2 4.47Å; F341-V419 HydrophobicContact CZ-CG1 3.71Å; L344-V419 HydrophobicContact CB-CG2 3.8Å; T415-V419 WeakPolarHBondContact O-CG2 3.36Å; T415-V419 PolarHBondContact O-N 2.96Å; P416-V419 PolarHBondContact O-N 3.45Å; V419-A421 PolarHBondContact O-N 2.58Å; V419-I422 PolarHBondContact O-N 2.96Å; V419-L423 HydrophobicContact CG1-CD1 3.68Å; V419-L423 HydrophobicContact CG1-CG 4.19Å; V419-L423 WeakPolarHBondContact O-CB 3.44Å; V419-L423 WeakPolarHBondContact O-CG 3.37Å; V419-L423 PolarHBondContact O-N 3.24Å
420	D	98.2	Very high	97.4	Very high	101 Å²	101	34.8 Å²	34.8	54%	0.54	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-41.8	178	-75.7	-22.6	0	0	0	112.7	P416 V418 G424	P416-D420 PolarHBondContact O-N 3.37Å; V418-D420 VanDerWaalsContact C-N 3.32Å; V418-D420 PolarHBondContact O-N 3.02Å; D420-G424 PolarHBondContact O-N 3.1Å
421	A	98.6	Very high	97	Very high	23 Å²	23	35.4 Å²	35.4	19%	0.19	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-39.9	177.4	0	0	0	0	0	112.3	T401 V405 R417 V418 V419 L425	T401-A421 HydrophobicContact CG2-CB 4.19Å; V405-A421 HydrophobicContact CG2-CB 4.22Å; R417-A421 WeakPolarHBondContact O-CB 3.48Å; R417-A421 PolarHBondContact O-N 2.82Å; V418-A421 PolarHBondContact O-N 3.1Å; V419-A421 PolarHBondContact O-N 2.58Å; A421-L425 PolarHBondContact O-N 3.33Å; A421-L425 VanDerWaalsContact O-N 3.09Å
422	I	98.3	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-49.9	177.4	-72.3	173.4	0	0	0	110.9	L369 V405 V418 V419 G424 L425 A426 F456 F459 F460	L369-I422 HydrophobicContact CD2-CG2 3.98Å; V405-I422 HydrophobicContact CG2-CG1 4.38Å; V418-I422 HydrophobicContact CG1-CD1 3.93Å; V418-I422 WeakPolarHBondContact O-CG1 3.37Å; V418-I422 PolarHBondContact O-N 3.21Å; V419-I422 PolarHBondContact O-N 2.96Å; I422-G424 PolarHBondContact O-N 3.02Å; I422-L425 PolarHBondContact O-N 3.39Å; I422-L425 VanDerWaalsContact O-N 3.15Å; I422-A426 PolarHBondContact O-N 2.86Å; I422-F456 HydrophobicContact CB-CE1 4.38Å; I422-F456 HydrophobicContact CB-CZ 4.49Å; I422-F456 HydrophobicContact CG1-CE1 4.37Å; I422-F456 HydrophobicContact CG2-CD1 4.22Å; I422-F456 HydrophobicContact CG2-CD2 4.36Å; I422-F456 HydrophobicContact CG2-CE1 3.81Å; I422-F456 HydrophobicContact CG2-CE2 4Å; I422-F456 HydrophobicContact CG2-CG 4.48Å; I422-F456 HydrophobicContact CG2-CZ 3.71Å; I422-F456 WeakPolarHBondContact O-CZ 2.8Å; I422-F459 HydrophobicContact CD1-CB 4.45Å; I422-F459 HydrophobicContact CD1-CD1 3.16Å; I422-F459 HydrophobicContact CD1-CD2 4.28Å; I422-F459 HydrophobicContact CD1-CE1 3.35Å; I422-F459 HydrophobicContact CD1-CE2 4.44Å; I422-F459 HydrophobicContact CD1-CG 3.68Å; I422-F459 HydrophobicContact CD1-CZ 4.02Å; I422-F460 HydrophobicContact CD1-CE2 4.37Å; I422-F460 HydrophobicContact CD1-CZ 4.47Å; I422-F460 HydrophobicContact CG2-CE2 3.81Å; I422-F460 HydrophobicContact CG2-CZ 4.01Å
423	L	97.4	Very high	96.2	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-37	176.1	-71.6	174.2	0	0	0	111.2	L369 V419 A426 R427	L369-L423 HydrophobicContact CD1-CD2 3.91Å; L369-L423 HydrophobicContact CD2-CD2 3.93Å; L369-L423 HydrophobicContact CG-CD2 3.77Å; V419-L423 HydrophobicContact CG1-CD1 3.68Å; V419-L423 HydrophobicContact CG1-CG 4.19Å; V419-L423 WeakPolarHBondContact O-CB 3.44Å; V419-L423 WeakPolarHBondContact O-CG 3.37Å; V419-L423 PolarHBondContact O-N 3.24Å; L423-A426 PolarHBondContact O-N 3.37Å; L423-R427 WeakPolarHBondContact O-CB 3.29Å; L423-R427 VanDerWaalsContact O-CG 3.31Å; L423-R427 WeakPolarHBondContact O-CG 3.49Å; L423-R427 PolarHBondContact O-N 3.29Å
424	G	97.8	Very high	95.5	Very high	13 Å²	13	43.3 Å²	43.3	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-51.8	172.1	0	0	0	0	0	112.3	D420 I422 R427 H428	D420-G424 PolarHBondContact O-N 3.1Å; I422-G424 PolarHBondContact O-N 3.02Å; G424-R427 PolarHBondContact O-N 3.01Å; G424-H428 PolarHBondContact O-CD2 2.96Å; G424-H428 PolarHBondContact O-N 2.87Å; G424-H428 VanDerWaalsContact O-N 3.13Å
425	L	98.3	Very high	94.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-42.7	177.9	-179.9	56.5	0	0	0	112.1	R397 L398 T401 A421 I422 R427 H428 G429 I452 F456	R397-L425 HydrophobicContact CB-CD1 3.9Å; L398-L425 HydrophobicContact CB-CD2 4.36Å; L398-L425 HydrophobicContact CD1-CD2 3.77Å; T401-L425 HydrophobicContact CG2-CB 4.4Å; T401-L425 HydrophobicContact CG2-CD2 4.11Å; A421-L425 PolarHBondContact O-N 3.33Å; A421-L425 VanDerWaalsContact O-N 3.09Å; I422-L425 PolarHBondContact O-N 3.39Å; I422-L425 VanDerWaalsContact O-N 3.15Å; L425-R427 PolarHBondContact O-N 3.13Å; L425-H428 PolarHBondContact O-N 3.48Å; L425-G429 PolarHBondContact O-N 3.34Å; L425-I452 HydrophobicContact CD1-CD1 4.3Å; L425-I452 HydrophobicContact CD2-CG1 4.31Å; L425-I452 HydrophobicContact CD2-CG2 4.28Å; L425-I452 HydrophobicContact CG-CG2 4.43Å; L425-F456 HydrophobicContact CB-CE1 4.43Å; L425-F456 HydrophobicContact CB-CZ 4.1Å; L425-F456 HydrophobicContact CD2-CE1 3.88Å; L425-F456 HydrophobicContact CD2-CZ 4.21Å; L425-F456 HydrophobicContact CG-CE1 4.32Å; L425-F456 HydrophobicContact CG-CZ 4.14Å
426	A	96.8	Very high	92.7	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-45.3	176.5	0	0	0	0	0	112	L369 F372 I422 L423 H428 G429 N430 F456	L369-A426 HydrophobicContact CD2-CB 3.75Å; F372-A426 HydrophobicContact CD1-CB 3.77Å; F372-A426 HydrophobicContact CE1-CB 4.21Å; F372-A426 HydrophobicContact CG-CB 4.15Å; I422-A426 PolarHBondContact O-N 2.86Å; L423-A426 PolarHBondContact O-N 3.37Å; A426-H428 VanDerWaalsContact C-N 3.35Å; A426-H428 PolarHBondContact O-N 2.95Å; A426-G429 PolarHBondContact O-N 3.46Å; A426-N430 WeakPolarHBondContact O-CB 3.17Å; A426-N430 PolarHBondContact O-N 2.9Å; A426-F456 HydrophobicContact CB-CE2 3.87Å; A426-F456 HydrophobicContact CB-CZ 4.21Å
427	R	95.6	Very high	90.9	Very high	167 Å²	167	50.1 Å²	50.1	63%	0.63	26%	0.263	S	S	*	.	H	α-helix	trans	-60.5	-42.5	176.8	-75.6	-175.2	-61.5	-130.2	1.1	112.2	L423 G424 L425 G431	L423-R427 WeakPolarHBondContact O-CB 3.29Å; L423-R427 VanDerWaalsContact O-CG 3.31Å; L423-R427 WeakPolarHBondContact O-CG 3.49Å; L423-R427 PolarHBondContact O-N 3.29Å; G424-R427 PolarHBondContact O-N 3.01Å; L425-R427 PolarHBondContact O-N 3.13Å; R427-G431 PolarHBondContact O-N 3.32Å; R427-G431 VanDerWaalsContact O-N 3.1Å
428	H	93.7	Very high	89.1	Confident	76 Å²	76	52.5 Å²	52.5	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-43.4	177	-74.7	-62.2	0	0	0	112.1	R397 G424 L425 A426 G431 E432	R397-H428 VanDerWaalsContact CZ-CD2 3.47Å; R397-H428 VanDerWaalsContact CZ-CE1 3.47Å; R397-H428 VanDerWaalsContact CZ-NE2 3.35Å; R397-H428 PolarHBondContact NH1-CD2 2.84Å; R397-H428 PolarHBondContact NH1-NE2 3.17Å; R397-H428 PolarHBondContact NH2-CE1 3.01Å; G424-H428 PolarHBondContact O-CD2 2.96Å; G424-H428 PolarHBondContact O-N 2.87Å; G424-H428 VanDerWaalsContact O-N 3.13Å; L425-H428 PolarHBondContact O-N 3.48Å; A426-H428 VanDerWaalsContact C-N 3.35Å; A426-H428 PolarHBondContact O-N 2.95Å; H428-G431 PolarHBondContact O-N 3.19Å; H428-G431 VanDerWaalsContact O-N 3.13Å; H428-E432 PolarHBondContact O-N 3.1Å
429	G	94.3	Very high	87.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-48.1	174.7	0	0	0	0	0	112.4	L425 A426 G431 E432 L433	L425-G429 PolarHBondContact O-N 3.34Å; A426-G429 PolarHBondContact O-N 3.46Å; G429-G431 PolarHBondContact O-N 3.32Å; G429-E432 PolarHBondContact O-N 3.29Å; G429-L433 WeakPolarHBondContact O-CG 3.42Å; G429-L433 PolarHBondContact O-N 3.08Å; G429-L433 VanDerWaalsContact O-N 3.16Å
430	N	92.1	Very high	85.3	Confident	53 Å²	53	64.9 Å²	64.9	28%	0.283	34%	0.341	S	S	.	.	H	α-helix	trans	-57.1	-34.2	173.9	-88.6	-22.4	0	0	0	113	F372 A426 E432 L433	F372-N430 HydrophobicContact CD2-CB 4.46Å; F372-N430 WeakPolarHBondContact CD2-OD1 3.07Å; A426-N430 WeakPolarHBondContact O-CB 3.17Å; A426-N430 PolarHBondContact O-N 2.9Å; N430-E432 VanDerWaalsContact C-N 3.3Å; N430-E432 PolarHBondContact O-N 2.92Å; N430-L433 PolarHBondContact O-N 3.2Å
431	G	90.8	Very high	83.5	Confident	33 Å²	33	64.1 Å²	64.1	34%	0.34	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-37	175.3	0	0	0	0	0	113.2	R427 H428 G429 R434	R427-G431 PolarHBondContact O-N 3.32Å; R427-G431 VanDerWaalsContact O-N 3.1Å; H428-G431 PolarHBondContact O-N 3.19Å; H428-G431 VanDerWaalsContact O-N 3.13Å; G429-G431 PolarHBondContact O-N 3.32Å; G431-R434 WeakPolarHBondContact O-CG 3.37Å
432	E	91	Very high	82.1	Confident	20 Å²	20	67.1 Å²	67.1	9%	0.093	37%	0.373	C	S	.	.	H	α-helix	trans	-77.4	-28	177	-57.3	-62	119.2	0	0	112.3	V389 R390 M393 L394 H428 G429 N430 R434 F449	V389-E432 HydrophobicContact CG1-CB 4.24Å; V389-E432 HydrophobicContact CG2-CB 4.39Å; R390-E432 WeakPolarHBondContact CB-OE2 3.39Å; R390-E432 IonicContact CZ-OE1 3.3Å; R390-E432 VanDerWaalsContact CZ-OE1 3.3Å; R390-E432 PolarHBondContact N-OE2 3.15Å; R390-E432 IonicContact NE-OE1 3.15Å; R390-E432 PolarHBondContact NE-OE1 3.35Å; R390-E432 VanDerWaalsContact NE-OE1 3.15Å; R390-E432 IonicContact NE-OE2 3.29Å; R390-E432 PolarHBondContact NE-OE2 2.84Å; R390-E432 IonicContact NH2-OE1 2.64Å; R390-E432 PolarHBondContact NH2-OE1 3.1Å; M393-E432 HydrophobicContact CE-CG 4.25Å; L394-E432 HydrophobicContact CD1-CB 4.48Å; L394-E432 HydrophobicContact CD1-CG 4.08Å; L394-E432 HydrophobicContact CD2-CG 4.1Å; L394-E432 HydrophobicContact CG-CG 4.23Å; H428-E432 PolarHBondContact O-N 3.1Å; G429-E432 PolarHBondContact O-N 3.29Å; N430-E432 VanDerWaalsContact C-N 3.3Å; N430-E432 PolarHBondContact O-N 2.92Å; E432-R434 VanDerWaalsContact C-N 3.27Å; E432-R434 PolarHBondContact O-N 3.47Å; E432-F449 HydrophobicContact CB-CZ 4.33Å
433	L	89.2	Confident	80.9	Confident	7 Å²	7	72.9 Å²	72.9	4%	0.037	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	12	-177.5	-65.5	-179.9	0	0	0	114.6	F372 D375 A376 Y379 L384 G429 N430 A435 F449	F372-L433 HydrophobicContact CD2-CD1 4.34Å; F372-L433 HydrophobicContact CE2-CD1 4.15Å; D375-L433 HydrophobicContact CB-CD1 3.94Å; A376-L433 HydrophobicContact CB-CD1 4.05Å; Y379-L433 HydrophobicContact CD1-CD2 4.16Å; Y379-L433 HydrophobicContact CD2-CD2 3.9Å; Y379-L433 HydrophobicContact CG-CD2 3.6Å; L384-L433 HydrophobicContact CD2-CB 3.99Å; L384-L433 HydrophobicContact CD2-CD2 4.19Å; L384-L433 HydrophobicContact CD2-CG 4.5Å; G429-L433 WeakPolarHBondContact O-CG 3.42Å; G429-L433 PolarHBondContact O-N 3.08Å; G429-L433 VanDerWaalsContact O-N 3.16Å; N430-L433 PolarHBondContact O-N 3.2Å; L433-A435 PolarHBondContact O-N 3.01Å; L433-A435 VanDerWaalsContact O-N 3.16Å; L433-F449 HydrophobicContact CD1-CD1 4.27Å; L433-F449 HydrophobicContact CD1-CE1 3.73Å; L433-F449 HydrophobicContact CD1-CZ 4.04Å; L433-F449 HydrophobicContact CD2-CD2 4.35Å; L433-F449 HydrophobicContact CD2-CE1 3.96Å; L433-F449 HydrophobicContact CD2-CE2 3.62Å; L433-F449 HydrophobicContact CD2-CZ 3.4Å; L433-F449 HydrophobicContact CG-CE1 3.78Å; L433-F449 HydrophobicContact CG-CE2 4.3Å; L433-F449 HydrophobicContact CG-CZ 3.56Å
434	R	82.3	Confident	80	Confident	193 Å²	193	77.4 Å²	77.4	73%	0.728	43%	0.426	S	S	*	.			trans	-61	120.8	178.5	-72.3	-177.9	177.8	-156.7	0.6	110.7	C386 G431 E432	C386-R434 WeakPolarHBondContact CA-O 3.26Å; C386-R434 VanDerWaalsContact CB-O 3.28Å; C386-R434 WeakPolarHBondContact CB-O 3.39Å; G431-R434 WeakPolarHBondContact O-CG 3.37Å; E432-R434 VanDerWaalsContact C-N 3.27Å; E432-R434 PolarHBondContact O-N 3.47Å
435	A	70.2	Confident	79.3	Confident	61 Å²	61	78.3 Å²	78.3	50%	0.504	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-59.2	137.8	-178.3	0	0	0	0	0	111.5	A385 L433	A385-A435 WeakPolarHBondContact O-CA 3.2Å; L433-A435 PolarHBondContact O-N 3.01Å; L433-A435 VanDerWaalsContact O-N 3.16Å
436	T	69.6	Low	78.9	Confident	40 Å²	40	80.5 Å²	80.5	25%	0.245	45%	0.445	C	S	.	.			trans	-125.3	146.6	174.2	142.2	0	0	0	0	110.4	A385 C386 K438	A385-T436 PolarHBondContact O-N 3.34Å; A385-T436 VanDerWaalsContact O-N 3.12Å; C386-T436 WeakPolarHBondContact O-CG2 3.47Å; T436-K438 VanDerWaalsContact C-N 3.34Å; T436-K438 PolarHBondContact OG1-N 2.91Å; T436-K438 PolarHBondContact OG1-O 3.47Å
437	S	59.5	Low	78.8	Confident	120 Å²	120	82.8 Å²	82.8	84%	0.839	46%	0.464	S	S	*	.	S	Bend	trans	-81.6	-10.1	174	53.2	0	0	0	0	113.8
438	K	60.8	Low	78.8	Confident	166 Å²	166	74.9 Å²	74.9	72%	0.722	43%	0.434	S	S	*	.	S	Bend	trans	-87.4	138.9	176	-64.4	-174.7	178.9	-177.5	0	110.5	T436	T436-K438 VanDerWaalsContact C-N 3.34Å; T436-K438 PolarHBondContact OG1-N 2.91Å; T436-K438 PolarHBondContact OG1-O 3.47Å
439	E	57.7	Low	78.9	Confident	186 Å²	186	71.2 Å²	71.2	87%	0.869	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-58.8	134.1	171.2	-75.5	-157.5	157	0	0	110.4	G441	E439-G441 PolarHBondContact O-N 3.32Å
440	P	60	Low	78.9	Confident	78 Å²	78	72.2 Å²	72.2	51%	0.506	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-68.2	116.8	179.1	23.5	-27.7	0	0	0	109.8	V442	P440-V442 PolarHBondContact O-N 3.4Å
441	G	60.2	Low	79.2	Confident	85 Å²	85	70.9 Å²	70.9	88%	0.876	42%	0.424	S	S	*	.	S	Bend	trans	-73.5	2.4	177.2	0	0	0	0	0	114.9	E439	E439-G441 PolarHBondContact O-N 3.32Å
442	V	68	Low	79.6	Confident	87 Å²	87	69.3 Å²	69.3	53%	0.527	41%	0.407	S	S	.	.	S	Bend	trans	-131.1	138	-178.7	-175.9	0	0	0	0	108.8	P440 R444	P440-V442 PolarHBondContact O-N 3.4Å; V442-R444 PolarHBondContact O-N 3.33Å
443	P	73.1	Confident	79.8	Confident	121 Å²	121	68.7 Å²	68.7	79%	0.786	41%	0.405	S	S	*	.			trans	-54.8	134.9	173.1	-24	33.4	0	0	0	111.6
444	R	80.1	Confident	80.1	Confident	111 Å²	111	71.5 Å²	71.5	42%	0.419	43%	0.425	S	S	.	.			trans	-65.8	137.5	174	76.6	-170.8	-177.1	81.3	-3.9	109.9	Y379 M380 V442	Y379-R444 HydrophobicContact CE2-CB 4.3Å; Y379-R444 PolarHBondContact O-NH1 3.49Å; M380-R444 PolarHBondContact O-NH1 3.04Å; M380-R444 PolarHBondContact O-NH2 3.02Å; V442-R444 PolarHBondContact O-N 3.33Å
445	S	82.8	Confident	80.9	Confident	33 Å²	33	63.4 Å²	63.4	23%	0.231	40%	0.395	C	S	.	.			trans	-111.9	117.4	163.7	140	0	0	0	0	110.9	Y379 E391 A447	Y379-S445 WeakPolarHBondContact CE1-O 3.5Å; E391-S445 VanDerWaalsContact CD-CB 3.49Å; E391-S445 WeakPolarHBondContact OE1-CB 3.42Å; E391-S445 PolarHBondContact OE1-OG 3.16Å; E391-S445 VanDerWaalsContact OE2-CB 3.31Å; E391-S445 WeakPolarHBondContact OE2-CB 3.31Å; E391-S445 PolarHBondContact OE2-OG 3.43Å; S445-A447 VanDerWaalsContact C-N 3.3Å; S445-A447 PolarHBondContact O-N 3.31Å
446	P	89.9	Confident	82.2	Confident	48 Å²	48	60.5 Å²	60.5	31%	0.312	37%	0.371	S	S	.	.			trans	-80.4	-10.3	-176.3	31.8	-35.1	0	0	0	113.4	M380 V448 F449 G450	M380-P446 HydrophobicContact CB-CB 3.98Å; M380-P446 HydrophobicContact CE-CB 4.32Å; M380-P446 HydrophobicContact CG-CB 3.72Å; P446-V448 PolarHBondContact O-N 3.18Å; P446-F449 PolarHBondContact O-N 3.05Å; P446-G450 PolarHBondContact O-N 3.33Å
447	A	93.6	Very high	83.4	Confident	54 Å²	54	62 Å²	62	45%	0.446	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-45.4	-162.3	0	0	0	0	0	112.9	W395 S445 G450 A451	W395-A447 HydrophobicContact CZ2-CB 4.1Å; S445-A447 VanDerWaalsContact C-N 3.3Å; S445-A447 PolarHBondContact O-N 3.31Å; A447-G450 PolarHBondContact O-N 3.02Å; A447-A451 PolarHBondContact O-N 3.32Å
448	V	95.5	Very high	85.1	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-41.1	-177.2	69.7	0	0	0	0	112.2	E391 L394 W395 P446 A451 I452	E391-V448 HydrophobicContact CG-CG1 4.13Å; L394-V448 HydrophobicContact CB-CG1 4.28Å; L394-V448 HydrophobicContact CB-CG2 3.5Å; L394-V448 HydrophobicContact CD1-CG1 3.9Å; W395-V448 HydrophobicContact CD2-CB 4.16Å; W395-V448 HydrophobicContact CD2-CG2 3.74Å; W395-V448 HydrophobicContact CE3-CG2 4.3Å; W395-V448 HydrophobicContact CG-CB 4.39Å; W395-V448 HydrophobicContact CG-CG2 3.83Å; W395-V448 HydrophobicContact CZ2-CB 4.04Å; W395-V448 HydrophobicContact CZ2-CG2 4.42Å; P446-V448 PolarHBondContact O-N 3.18Å; V448-A451 PolarHBondContact O-N 3.41Å; V448-I452 HydrophobicContact CG2-CD1 4.3Å; V448-I452 VanDerWaalsContact O-CG1 3.29Å; V448-I452 WeakPolarHBondContact O-CG1 3.25Å; V448-I452 PolarHBondContact O-N 3.33Å
449	F	95.8	Very high	86.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.7	-36.3	175.8	-75.5	-68.9	0	0	0	111.9	F372 A376 Y379 M380 V389 L394 E432 L433 P446 A451 I452 I453	F372-F449 HydrophobicContact CE2-CD1 4.4Å; F372-F449 HydrophobicContact CE2-CE1 4.12Å; F372-F449 HydrophobicContact CZ-CD1 4.42Å; F372-F449 HydrophobicContact CZ-CE1 4.44Å; A376-F449 HydrophobicContact CB-CB 4.2Å; A376-F449 HydrophobicContact CB-CD1 3.78Å; A376-F449 HydrophobicContact CB-CG 4.25Å; Y379-F449 AromaticContact CD1-CD2 3.37Å; Y379-F449 HydrophobicContact CD1-CD2 3.37Å; Y379-F449 AromaticContact CD1-CE2 3.74Å; Y379-F449 HydrophobicContact CD1-CE2 3.74Å; Y379-F449 HydrophobicContact CD1-CG 4.23Å; Y379-F449 AromaticContact CE1-CD2 3.5Å; Y379-F449 HydrophobicContact CE1-CD2 3.5Å; Y379-F449 VanDerWaalsContact CE1-CD2 3.5Å; Y379-F449 AromaticContact CE1-CE2 3.72Å; Y379-F449 HydrophobicContact CE1-CE2 3.72Å; Y379-F449 HydrophobicContact CG-CD2 4.37Å; Y379-F449 HydrophobicContact CG-CE2 4.44Å; M380-F449 HydrophobicContact CG-CB 4.01Å; M380-F449 HydrophobicContact SD-CB 4.14Å; V389-F449 HydrophobicContact CG1-CE2 3.83Å; V389-F449 HydrophobicContact CG1-CZ 4.31Å; V389-F449 HydrophobicContact CG2-CE2 4.18Å; L394-F449 HydrophobicContact CD1-CE1 4.17Å; L394-F449 HydrophobicContact CD1-CE2 4.04Å; L394-F449 HydrophobicContact CD1-CZ 3.68Å; E432-F449 HydrophobicContact CB-CZ 4.33Å; L433-F449 HydrophobicContact CD1-CD1 4.27Å; L433-F449 HydrophobicContact CD1-CE1 3.73Å; L433-F449 HydrophobicContact CD1-CZ 4.04Å; L433-F449 HydrophobicContact CD2-CD2 4.35Å; L433-F449 HydrophobicContact CD2-CE1 3.96Å; L433-F449 HydrophobicContact CD2-CE2 3.62Å; L433-F449 HydrophobicContact CD2-CZ 3.4Å; L433-F449 HydrophobicContact CG-CE1 3.78Å; L433-F449 HydrophobicContact CG-CE2 4.3Å; L433-F449 HydrophobicContact CG-CZ 3.56Å; P446-F449 PolarHBondContact O-N 3.05Å; F449-A451 VanDerWaalsContact C-N 3.32Å; F449-A451 PolarHBondContact O-N 2.93Å; F449-I452 HydrophobicContact CD1-CD1 4.36Å; F449-I452 PolarHBondContact O-N 3.08Å; F449-I453 WeakPolarHBondContact O-CB 3.42Å; F449-I453 VanDerWaalsContact O-CG1 3.26Å; F449-I453 WeakPolarHBondContact O-CG1 3.27Å; F449-I453 PolarHBondContact O-N 3.42Å
450	G	95.8	Very high	88.8	Confident	21 Å²	21	45.9 Å²	45.9	22%	0.216	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-42.7	172	0	0	0	0	0	112.2	M380 P446 A447 S454	M380-G450 WeakPolarHBondContact SD-CA 3.26Å; M380-G450 PolarHBondContact SD-N 3.26Å; P446-G450 PolarHBondContact O-N 3.33Å; A447-G450 PolarHBondContact O-N 3.02Å; G450-S454 WeakPolarHBondContact O-CB 3.32Å; G450-S454 PolarHBondContact O-N 3.39Å
451	A	97.8	Very high	90.5	Very high	24 Å²	24	48 Å²	48	20%	0.198	29%	0.292	C	S	.	.	H	α-helix	trans	-68.8	-34.9	176.6	0	0	0	0	0	113.3	W395 L398 A447 V448 F449 Y455	W395-A451 HydrophobicContact CH2-CB 3.43Å; W395-A451 VanDerWaalsContact CH2-CB 3.43Å; W395-A451 HydrophobicContact CZ2-CB 4.47Å; W395-A451 HydrophobicContact CZ3-CB 3.53Å; L398-A451 HydrophobicContact CD2-CB 3.64Å; A447-A451 PolarHBondContact O-N 3.32Å; V448-A451 PolarHBondContact O-N 3.41Å; F449-A451 VanDerWaalsContact C-N 3.32Å; F449-A451 PolarHBondContact O-N 2.93Å; A451-Y455 VanDerWaalsContact O-CB 3.31Å; A451-Y455 WeakPolarHBondContact O-CB 3.34Å; A451-Y455 PolarHBondContact O-N 3.31Å; A451-Y455 VanDerWaalsContact O-N 3.1Å
452	I	97.8	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-48.3	174.5	-66.8	165.9	0	0	0	110.6	F372 L398 L425 V448 F449 Y455 F456	F372-I452 HydrophobicContact CE1-CG2 3.66Å; F372-I452 HydrophobicContact CZ-CG2 3.79Å; L398-I452 HydrophobicContact CB-CG1 4.41Å; L398-I452 HydrophobicContact CD1-CG1 4.16Å; L398-I452 HydrophobicContact CD2-CG1 4.11Å; L398-I452 HydrophobicContact CG-CG1 4.45Å; L425-I452 HydrophobicContact CD1-CD1 4.3Å; L425-I452 HydrophobicContact CD2-CG1 4.31Å; L425-I452 HydrophobicContact CD2-CG2 4.28Å; L425-I452 HydrophobicContact CG-CG2 4.43Å; V448-I452 HydrophobicContact CG2-CD1 4.3Å; V448-I452 VanDerWaalsContact O-CG1 3.29Å; V448-I452 WeakPolarHBondContact O-CG1 3.25Å; V448-I452 PolarHBondContact O-N 3.33Å; F449-I452 HydrophobicContact CD1-CD1 4.36Å; F449-I452 PolarHBondContact O-N 3.08Å; I452-Y455 PolarHBondContact O-N 3.49Å; I452-F456 HydrophobicContact CG2-CD1 4.35Å; I452-F456 HydrophobicContact CG2-CE1 4.15Å; I452-F456 HydrophobicContact CG2-CE2 4.31Å; I452-F456 HydrophobicContact CG2-CZ 4.11Å; I452-F456 PolarHBondContact O-N 3.42Å
453	I	96.3	Very high	93.6	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-53.4	178.2	-70.3	162.8	0	0	0	109.8	L373 A376 R377 M380 F449 Y455 F456 E457	L373-I453 HydrophobicContact CD2-CB 4.19Å; L373-I453 HydrophobicContact CD2-CG1 3.77Å; L373-I453 HydrophobicContact CD2-CG2 4.34Å; A376-I453 HydrophobicContact CB-CD1 3.78Å; A376-I453 HydrophobicContact CB-CG1 4.05Å; R377-I453 HydrophobicContact CG-CD1 3.78Å; M380-I453 HydrophobicContact SD-CD1 3.57Å; M380-I453 VanDerWaalsContact SD-CD1 3.57Å; F449-I453 WeakPolarHBondContact O-CB 3.42Å; F449-I453 VanDerWaalsContact O-CG1 3.26Å; F449-I453 WeakPolarHBondContact O-CG1 3.27Å; F449-I453 PolarHBondContact O-N 3.42Å; I453-Y455 VanDerWaalsContact C-N 3.26Å; I453-Y455 PolarHBondContact O-N 3.28Å; I453-F456 PolarHBondContact O-N 3.46Å; I453-F456 VanDerWaalsContact O-N 3.11Å; I453-E457 HydrophobicContact CG2-CG 4.2Å; I453-E457 WeakPolarHBondContact O-CG 3.44Å; I453-E457 PolarHBondContact O-N 2.96Å
454	S	96.5	Very high	94.7	Very high	66 Å²	66	35.4 Å²	35.4	46%	0.462	20%	0.198	S	C	.	.	H	α-helix	trans	-56.9	-41.2	-179.9	173	0	0	0	0	112	G450 Q458	G450-S454 WeakPolarHBondContact O-CB 3.32Å; G450-S454 PolarHBondContact O-N 3.39Å; S454-Q458 VanDerWaalsContact O-CB 3.28Å; S454-Q458 WeakPolarHBondContact O-CB 3.17Å; S454-Q458 PolarHBondContact O-N 3.32Å
455	Y	98	Very high	95.5	Very high	24 Å²	24	30.3 Å²	30.3	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-42.2	177.4	177.9	-113.9	0	0	0	112.8	L398 T401 K402 V405 A451 I452 I453 F459	L398-Y455 HydrophobicContact CD1-CD1 3.89Å; L398-Y455 HydrophobicContact CD1-CG 4.17Å; T401-Y455 HydrophobicContact CG2-CE1 4.09Å; K402-Y455 HydrophobicContact CD-CD2 4.25Å; K402-Y455 HydrophobicContact CD-CE2 4.35Å; K402-Y455 VanDerWaalsContact CE-CD2 3.5Å; K402-Y455 HydrophobicContact CG-CD1 4.34Å; K402-Y455 HydrophobicContact CG-CD2 3.91Å; K402-Y455 HydrophobicContact CG-CE1 4.09Å; K402-Y455 HydrophobicContact CG-CE2 3.62Å; K402-Y455 HydrophobicContact CG-CG 4.25Å; V405-Y455 WeakPolarHBondContact CB-OH 3.47Å; V405-Y455 VanDerWaalsContact CG1-OH 3.31Å; V405-Y455 WeakPolarHBondContact CG1-OH 3.45Å; V405-Y455 WeakPolarHBondContact CG2-OH 3.38Å; A451-Y455 VanDerWaalsContact O-CB 3.31Å; A451-Y455 WeakPolarHBondContact O-CB 3.34Å; A451-Y455 PolarHBondContact O-N 3.31Å; A451-Y455 VanDerWaalsContact O-N 3.1Å; I452-Y455 PolarHBondContact O-N 3.49Å; I453-Y455 VanDerWaalsContact C-N 3.26Å; I453-Y455 PolarHBondContact O-N 3.28Å; Y455-F459 WeakPolarHBondContact O-CB 3.43Å; Y455-F459 PolarHBondContact O-N 3.25Å
456	F	97.3	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-49.9	177.7	-79.8	15.4	0	0	0	110.8	L369 F372 L373 I422 L425 A426 I452 I453 Q458 F459 F460	L369-F456 HydrophobicContact CD2-CD2 4.32Å; L369-F456 HydrophobicContact CD2-CE2 3.94Å; F372-F456 HydrophobicContact CD1-CD2 4.23Å; F372-F456 AromaticContact CD1-CE2 3.76Å; F372-F456 HydrophobicContact CD1-CE2 3.76Å; F372-F456 HydrophobicContact CE1-CD2 4.11Å; F372-F456 AromaticContact CE1-CE2 3.57Å; F372-F456 HydrophobicContact CE1-CE2 3.57Å; F372-F456 HydrophobicContact CE1-CZ 4.26Å; L373-F456 HydrophobicContact CD2-CB 4.12Å; L373-F456 HydrophobicContact CD2-CD2 3.9Å; L373-F456 HydrophobicContact CD2-CG 4.42Å; I422-F456 HydrophobicContact CB-CE1 4.38Å; I422-F456 HydrophobicContact CB-CZ 4.49Å; I422-F456 HydrophobicContact CG1-CE1 4.37Å; I422-F456 HydrophobicContact CG2-CD1 4.22Å; I422-F456 HydrophobicContact CG2-CD2 4.36Å; I422-F456 HydrophobicContact CG2-CE1 3.81Å; I422-F456 HydrophobicContact CG2-CE2 4Å; I422-F456 HydrophobicContact CG2-CG 4.48Å; I422-F456 HydrophobicContact CG2-CZ 3.71Å; I422-F456 WeakPolarHBondContact O-CZ 2.8Å; L425-F456 HydrophobicContact CB-CE1 4.43Å; L425-F456 HydrophobicContact CB-CZ 4.1Å; L425-F456 HydrophobicContact CD2-CE1 3.88Å; L425-F456 HydrophobicContact CD2-CZ 4.21Å; L425-F456 HydrophobicContact CG-CE1 4.32Å; L425-F456 HydrophobicContact CG-CZ 4.14Å; A426-F456 HydrophobicContact CB-CE2 3.87Å; A426-F456 HydrophobicContact CB-CZ 4.21Å; I452-F456 HydrophobicContact CG2-CD1 4.35Å; I452-F456 HydrophobicContact CG2-CE1 4.15Å; I452-F456 HydrophobicContact CG2-CE2 4.31Å; I452-F456 HydrophobicContact CG2-CZ 4.11Å; I452-F456 PolarHBondContact O-N 3.42Å; I453-F456 PolarHBondContact O-N 3.46Å; I453-F456 VanDerWaalsContact O-N 3.11Å; F456-Q458 VanDerWaalsContact C-N 3.34Å; F456-Q458 PolarHBondContact O-N 2.87Å; F456-F459 PolarHBondContact O-N 3.05Å; F456-F460 HydrophobicContact CB-CD2 4.45Å; F456-F460 WeakPolarHBondContact O-CD2 3.39Å; F456-F460 PolarHBondContact O-N 3.38Å
457	E	95	Very high	95.4	Very high	70 Å²	70	29.9 Å²	29.9	33%	0.327	18%	0.175	S	C	.	.	H	α-helix	trans	-55.3	-49.3	177.4	-70.8	174.1	150.5	0	0	111.2	R377 I453 F459 F460 E461	R377-E457 IonicContact CZ-OE1 2.68Å; R377-E457 IonicContact NH1-OE1 2.79Å; R377-E457 PolarHBondContact NH1-OE1 3.5Å; R377-E457 IonicContact NH2-OE1 3.55Å; R377-E457 PolarHBondContact NH2-OE1 3.13Å; I453-E457 HydrophobicContact CG2-CG 4.2Å; I453-E457 WeakPolarHBondContact O-CG 3.44Å; I453-E457 PolarHBondContact O-N 2.96Å; E457-F459 PolarHBondContact O-N 3.38Å; E457-F460 PolarHBondContact O-N 3.45Å; E457-E461 WeakPolarHBondContact O-CB 3.42Å; E457-E461 PolarHBondContact O-N 3.25Å
458	Q	95.8	Very high	93.8	Very high	120 Å²	120	29.6 Å²	29.6	56%	0.561	18%	0.177	S	C	*	.	H	α-helix	trans	-60.9	-42.5	178.6	-174.3	-178.3	15.4	0	0	112.4	S454 F456 T462	S454-Q458 VanDerWaalsContact O-CB 3.28Å; S454-Q458 WeakPolarHBondContact O-CB 3.17Å; S454-Q458 PolarHBondContact O-N 3.32Å; F456-Q458 VanDerWaalsContact C-N 3.34Å; F456-Q458 PolarHBondContact O-N 2.87Å; Q458-T462 WeakPolarHBondContact O-CB 3.38Å; Q458-T462 PolarHBondContact O-N 3.34Å; Q458-T462 PolarHBondContact O-OG1 2.84Å
459	F	97.6	Very high	91.5	Very high	14 Å²	14	33.2 Å²	33.2	6%	0.061	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-50.8	177.9	171.8	-96.9	0	0	0	111.4	V405 V418 I422 Y455 F456 E457 E461 T462 V463	V405-F459 HydrophobicContact CG1-CD2 4.36Å; V405-F459 HydrophobicContact CG1-CE2 4.42Å; V418-F459 HydrophobicContact CB-CZ 4.43Å; V418-F459 HydrophobicContact CG1-CD2 4.24Å; V418-F459 HydrophobicContact CG1-CE1 3.95Å; V418-F459 HydrophobicContact CG1-CE2 3.36Å; V418-F459 HydrophobicContact CG1-CZ 3.18Å; I422-F459 HydrophobicContact CD1-CB 4.45Å; I422-F459 HydrophobicContact CD1-CD1 3.16Å; I422-F459 HydrophobicContact CD1-CD2 4.28Å; I422-F459 HydrophobicContact CD1-CE1 3.35Å; I422-F459 HydrophobicContact CD1-CE2 4.44Å; I422-F459 HydrophobicContact CD1-CG 3.68Å; I422-F459 HydrophobicContact CD1-CZ 4.02Å; Y455-F459 WeakPolarHBondContact O-CB 3.43Å; Y455-F459 PolarHBondContact O-N 3.25Å; F456-F459 PolarHBondContact O-N 3.05Å; E457-F459 PolarHBondContact O-N 3.38Å; F459-E461 PolarHBondContact O-N 3.29Å; F459-T462 VanDerWaalsContact O-CB 3.27Å; F459-T462 WeakPolarHBondContact O-CB 3.44Å; F459-T462 PolarHBondContact O-N 3.41Å; F459-T462 VanDerWaalsContact O-N 3.14Å; F459-V463 HydrophobicContact CE1-CG2 4.06Å; F459-V463 HydrophobicContact CE2-CG1 4.03Å; F459-V463 HydrophobicContact CZ-CG1 3.89Å; F459-V463 HydrophobicContact CZ-CG2 4.24Å; F459-V463 PolarHBondContact O-N 3.06Å
460	F	97.4	Very high	88.8	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-38.8	-177.2	-78.1	-73.9	0	0	0	111.7	F341 L369 I422 F456 E457 T462 V463 G464 I465 L467	F341-F460 AromaticContact CD2-CE1 3.87Å; F341-F460 HydrophobicContact CD2-CE1 3.87Å; F341-F460 AromaticContact CE2-CE1 3.83Å; F341-F460 HydrophobicContact CE2-CE1 3.83Å; F341-F460 HydrophobicContact CE2-CZ 4.11Å; L369-F460 HydrophobicContact CD1-CE1 4.37Å; L369-F460 HydrophobicContact CD1-CE2 4.05Å; L369-F460 HydrophobicContact CD1-CZ 3.53Å; I422-F460 HydrophobicContact CD1-CE2 4.37Å; I422-F460 HydrophobicContact CD1-CZ 4.47Å; I422-F460 HydrophobicContact CG2-CE2 3.81Å; I422-F460 HydrophobicContact CG2-CZ 4.01Å; F456-F460 HydrophobicContact CB-CD2 4.45Å; F456-F460 WeakPolarHBondContact O-CD2 3.39Å; F456-F460 PolarHBondContact O-N 3.38Å; E457-F460 PolarHBondContact O-N 3.45Å; F460-T462 VanDerWaalsContact C-N 3.32Å; F460-T462 PolarHBondContact O-N 2.98Å; F460-V463 HydrophobicContact CD1-CG2 4.3Å; F460-V463 CarbonylContact O-C 3.58Å; F460-V463 WeakPolarHBondContact O-CG2 3.49Å; F460-V463 PolarHBondContact O-N 3.14Å; F460-G464 PolarHBondContact O-N 3.08Å; F460-I465 CarbonylContact C-O 3.59Å; F460-I465 HydrophobicContact CB-CB 4.12Å; F460-I465 HydrophobicContact CB-CG2 4.26Å; F460-I465 HydrophobicContact CD1-CB 3.9Å; F460-I465 HydrophobicContact CD1-CD1 3.98Å; F460-I465 HydrophobicContact CD1-CG2 3.78Å; F460-I465 HydrophobicContact CE1-CD1 4.35Å; F460-I465 HydrophobicContact CG-CB 4.49Å; F460-I465 HydrophobicContact CG-CG2 4.36Å; F460-I465 PolarHBondContact O-N 3.13Å; F460-I465 VanDerWaalsContact O-O 3.12Å; F460-L467 HydrophobicContact CB-CD1 4.09Å; F460-L467 HydrophobicContact CB-CG 3.82Å; F460-L467 HydrophobicContact CD1-CD1 4.44Å; F460-L467 HydrophobicContact CD1-CD2 4.32Å; F460-L467 HydrophobicContact CD1-CG 4.27Å; F460-L467 HydrophobicContact CD2-CD1 3.08Å; F460-L467 HydrophobicContact CD2-CD2 4.31Å; F460-L467 HydrophobicContact CD2-CG 3.7Å; F460-L467 HydrophobicContact CE2-CD1 3.51Å; F460-L467 HydrophobicContact CE2-CG 4.32Å; F460-L467 HydrophobicContact CG-CD1 3.62Å; F460-L467 HydrophobicContact CG-CD2 4.18Å; F460-L467 HydrophobicContact CG-CG 3.65Å; F460-L467 HydrophobicContact CZ-CD1 4.35Å
461	E	95.8	Very high	86.1	Confident	121 Å²	121	42.2 Å²	42.2	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-58.9	-43.5	170.4	-177.9	178.1	-163.1	0	0	111.6	E457 F459 V463 G464 I465	E457-E461 WeakPolarHBondContact O-CB 3.42Å; E457-E461 PolarHBondContact O-N 3.25Å; F459-E461 PolarHBondContact O-N 3.29Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 2.96Å; E461-G464 PolarHBondContact O-N 2.97Å; E461-I465 PolarHBondContact N-O 2.86Å
462	T	96.7	Very high	83	Confident	22 Å²	22	47 Å²	47	14%	0.135	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-45.9	175.8	-64.9	0	0	0	0	110.7	R101 K105 V106 Q458 F459 F460 G464	R101-T462 WeakPolarHBondContact CB-O 3.28Å; R101-T462 VanDerWaalsContact CD-O 3.24Å; R101-T462 WeakPolarHBondContact CD-O 3.34Å; K105-T462 HydrophobicContact CB-CG2 3.77Å; K105-T462 HydrophobicContact CG-CG2 4.2Å; V106-T462 HydrophobicContact CG2-CG2 4.29Å; Q458-T462 WeakPolarHBondContact O-CB 3.38Å; Q458-T462 PolarHBondContact O-N 3.34Å; Q458-T462 PolarHBondContact O-OG1 2.84Å; F459-T462 VanDerWaalsContact O-CB 3.27Å; F459-T462 WeakPolarHBondContact O-CB 3.44Å; F459-T462 PolarHBondContact O-N 3.41Å; F459-T462 VanDerWaalsContact O-N 3.14Å; F460-T462 VanDerWaalsContact C-N 3.32Å; F460-T462 PolarHBondContact O-N 2.98Å; T462-G464 PolarHBondContact O-N 3.49Å
463	V	97.4	Very high	79.7	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	14.9	177.9	-58.4	0	0	0	0	113.5	I98 I102 R340 L344 F459 F460 E461 I465	I98-V463 HydrophobicContact CG2-CG1 4.23Å; I102-V463 HydrophobicContact CG1-CG1 4.45Å; R340-V463 VanDerWaalsContact CZ-O 3.27Å; R340-V463 PolarHBondContact NE-O 3.43Å; R340-V463 PolarHBondContact NH2-O 3.45Å; L344-V463 HydrophobicContact CD1-CB 4.35Å; L344-V463 HydrophobicContact CD1-CG2 3.79Å; L344-V463 HydrophobicContact CD2-CB 4.33Å; L344-V463 HydrophobicContact CD2-CG1 4.31Å; F459-V463 HydrophobicContact CE1-CG2 4.06Å; F459-V463 HydrophobicContact CE2-CG1 4.03Å; F459-V463 HydrophobicContact CZ-CG1 3.89Å; F459-V463 HydrophobicContact CZ-CG2 4.24Å; F459-V463 PolarHBondContact O-N 3.06Å; F460-V463 HydrophobicContact CD1-CG2 4.3Å; F460-V463 CarbonylContact O-C 3.58Å; F460-V463 WeakPolarHBondContact O-CG2 3.49Å; F460-V463 PolarHBondContact O-N 3.14Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 2.96Å; V463-I465 HydrophobicContact CG2-CB 4.48Å; V463-I465 HydrophobicContact CG2-CD1 4.08Å; V463-I465 HydrophobicContact CG2-CG1 4.28Å; V463-I465 PolarHBondContact O-N 3.17Å
464	G	96.8	Very high	76.8	Confident	8 Å²	8	57.5 Å²	57.5	8%	0.082	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	25.9	173.4	0	0	0	0	0	115	K154 R340 F460 E461 T462	K154-G464 WeakPolarHBondContact CD-O 3.4Å; R340-G464 WeakPolarHBondContact CD-O 3.2Å; R340-G464 PolarHBondContact NE-O 3.44Å; F460-G464 PolarHBondContact O-N 3.08Å; E461-G464 PolarHBondContact O-N 2.97Å; T462-G464 PolarHBondContact O-N 3.49Å
465	I	96.9	Very high	74	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.015	35%	0.349	C	S	.	.			trans	-107	130.1	176.9	-67.1	173.9	0	0	0	109.7	D337 R340 F341 L344 L366 F460 E461 V463 L467	D337-I465 HydrophobicContact CB-CG2 4.24Å; D337-I465 VanDerWaalsContact OD1-CA 3.29Å; D337-I465 WeakPolarHBondContact OD1-CA 3.42Å; R340-I465 HydrophobicContact CB-CD1 3.97Å; R340-I465 HydrophobicContact CB-CG1 3.69Å; F341-I465 HydrophobicContact CB-CD1 3.96Å; F341-I465 HydrophobicContact CD2-CD1 4.2Å; L344-I465 HydrophobicContact CD1-CD1 3.48Å; L344-I465 VanDerWaalsContact CD1-CD1 3.48Å; L366-I465 HydrophobicContact CD1-CG2 3.9Å; F460-I465 CarbonylContact C-O 3.59Å; F460-I465 HydrophobicContact CB-CB 4.12Å; F460-I465 HydrophobicContact CB-CG2 4.26Å; F460-I465 HydrophobicContact CD1-CB 3.9Å; F460-I465 HydrophobicContact CD1-CD1 3.98Å; F460-I465 HydrophobicContact CD1-CG2 3.78Å; F460-I465 HydrophobicContact CE1-CD1 4.35Å; F460-I465 HydrophobicContact CG-CB 4.49Å; F460-I465 HydrophobicContact CG-CG2 4.36Å; F460-I465 PolarHBondContact O-N 3.13Å; F460-I465 VanDerWaalsContact O-O 3.12Å; E461-I465 PolarHBondContact N-O 2.86Å; V463-I465 HydrophobicContact CG2-CB 4.48Å; V463-I465 HydrophobicContact CG2-CD1 4.08Å; V463-I465 HydrophobicContact CG2-CG1 4.28Å; V463-I465 PolarHBondContact O-N 3.17Å; I465-L467 HydrophobicContact CG2-CD2 4.16Å
466	S	90.4	Very high	71.2	Confident	52 Å²	52	63.6 Å²	63.6	36%	0.364	38%	0.38	S	S	.	.			trans	-96.3	101.3	175.3	-55.5	0	0	0	0	109.7	K154 D337 G468	K154-S466 PolarHBondContact NZ-OG 2.96Å; D337-S466 PolarHBondContact OD1-N 3.38Å; S466-G468 PolarHBondContact O-N 2.85Å; S466-G468 VanDerWaalsContact O-N 3.1Å
467	L	79.4	Confident	68.8	Low	20 Å²	20	66.1 Å²	66.1	11%	0.105	41%	0.407	C	S	.	.			trans	-79.1	84.7	172.5	-69.6	-171	0	0	0	110.5	L366 L369 L373 F460 I465	L366-L467 HydrophobicContact CD1-CD2 3.36Å; L366-L467 HydrophobicContact CG-CD2 4.09Å; L369-L467 HydrophobicContact CB-CD2 4.44Å; L373-L467 HydrophobicContact CD1-CB 3.98Å; L373-L467 HydrophobicContact CD1-CD1 3.64Å; F460-L467 HydrophobicContact CB-CD1 4.09Å; F460-L467 HydrophobicContact CB-CG 3.82Å; F460-L467 HydrophobicContact CD1-CD1 4.44Å; F460-L467 HydrophobicContact CD1-CD2 4.32Å; F460-L467 HydrophobicContact CD1-CG 4.27Å; F460-L467 HydrophobicContact CD2-CD1 3.08Å; F460-L467 HydrophobicContact CD2-CD2 4.31Å; F460-L467 HydrophobicContact CD2-CG 3.7Å; F460-L467 HydrophobicContact CE2-CD1 3.51Å; F460-L467 HydrophobicContact CE2-CG 4.32Å; F460-L467 HydrophobicContact CG-CD1 3.62Å; F460-L467 HydrophobicContact CG-CD2 4.18Å; F460-L467 HydrophobicContact CG-CG 3.65Å; F460-L467 HydrophobicContact CZ-CD1 4.35Å; I465-L467 HydrophobicContact CG2-CD2 4.16Å
468	G	60	Low	67.2	Low	48 Å²	48	66.9 Å²	66.9	50%	0.495	42%	0.42	S	S	.	.	S	Bend	trans	57	105.3	163.5	0	0	0	0	0	116.8	S466	S466-G468 PolarHBondContact O-N 2.85Å; S466-G468 VanDerWaalsContact O-N 3.1Å
469	N	46.9	Very low	65.6	Low	76 Å²	76	66.3 Å²	66.3	41%	0.406	42%	0.417	S	S	.	.			trans	42.2	95.4	-179.5	-85.9	25.3	0	0	0	114.6	Q471 E479	N469-Q471 PolarHBondContact O-N 2.89Å; N469-E479 PolarHBondContact ND2-OE1 3Å; N469-E479 VanDerWaalsContact ND2-OE1 3.11Å
470	Q	39.3	Very low	64	Low	130 Å²	130	69.2 Å²	69.2	61%	0.607	44%	0.444	S	S	*	.			trans	-53.2	84.5	147.5	-79.8	-178.1	-29.4	0	0	108.3	C472	Q470-C472 PolarHBondContact O-N 3.47Å
471	Q	39	Very low	62.7	Low	81 Å²	81	73.5 Å²	73.5	38%	0.379	47%	0.47	S	S	.	.	S	Bend	trans	-57.5	121.6	151.7	-81.1	163.6	44.8	0	0	105.1	N469	N469-Q471 PolarHBondContact O-N 2.89Å
472	C	33.8	Very low	61.9	Low	124 Å²	124	72 Å²	72	84%	0.838	47%	0.466	S	S	*	.			trans	85.1	69.5	179.3	-51.8	0	0	0	0	115.8	Q470	Q470-C472 PolarHBondContact O-N 3.47Å
473	V	27.6	Very low	61	Low	106 Å²	106	74.2 Å²	74.2	64%	0.642	47%	0.472	S	S	*	.			trans	-132.4	123	133.7	-172.1	0	0	0	0	109.5
474	S	35.6	Very low	60	Low	122 Å²	122	76 Å²	76	85%	0.853	49%	0.49	S	S	*	.			trans	-33.5	118.4	173.2	35.2	0	0	0	0	116
475	G	37.9	Very low	59.4	Low	78 Å²	78	79.9 Å²	79.9	80%	0.804	51%	0.512	S	S	*	.			trans	133.3	69.7	160.9	0	0	0	0	0	115.1
476	D	38.4	Very low	58.9	Low	139 Å²	139	80 Å²	80	74%	0.743	51%	0.512	S	S	*	.				174.1	134.6	124.3	-133.8	-18.2	0	0	0	109.6	S478	D476-S478 PolarHBondContact O-N 3.16Å
477	G	46.9	Very low	58.6	Low	54 Å²	54	81 Å²	81	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-63.6	-11.2	179.6	0	0	0	0	0	114.1	T481	G477-T481 VanDerWaalsContact O-CB 3.23Å; G477-T481 WeakPolarHBondContact O-CB 3.44Å; G477-T481 PolarHBondContact O-N 2.97Å; G477-T481 PolarHBondContact O-OG1 3.38Å
478	S	62.1	Low	58.9	Low	85 Å²	85	85 Å²	85	59%	0.594	53%	0.53	S	S	*	.	H	α-helix	trans	-76.5	-43.4	-171.5	-166.2	0	0	0	0	113.8	D476 T481 L482	D476-S478 PolarHBondContact O-N 3.16Å; S478-T481 PolarHBondContact O-N 3.45Å; S478-L482 WeakPolarHBondContact O-CB 3.28Å; S478-L482 PolarHBondContact O-N 3.19Å
479	E	61.3	Low	60.3	Low	108 Å²	108	85.3 Å²	85.3	51%	0.505	52%	0.52	S	S	.	.	H	α-helix	trans	-75	-40.5	-175.5	-166.7	-179.5	168.8	0	0	112.4	N469 T481 L482 R483	N469-E479 PolarHBondContact ND2-OE1 3Å; N469-E479 VanDerWaalsContact ND2-OE1 3.11Å; E479-T481 VanDerWaalsContact C-N 3.31Å; E479-T481 PolarHBondContact O-N 3.33Å; E479-L482 PolarHBondContact O-N 2.99Å; E479-R483 VanDerWaalsContact O-CB 3.29Å; E479-R483 WeakPolarHBondContact O-CB 3.26Å; E479-R483 PolarHBondContact O-N 2.58Å
480	A	63.9	Low	62.2	Low	76 Å²	76	81.9 Å²	81.9	63%	0.628	50%	0.502	S	S	*	.	H	α-helix	trans	-64	-38.5	174.1	0	0	0	0	0	111.7	R483 G484	A480-R483 PolarHBondContact O-N 2.61Å; A480-G484 PolarHBondContact O-N 3.18Å
481	T	71.4	Confident	64.3	Low	90 Å²	90	81.9 Å²	81.9	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-67	-46.6	175.2	-60	0	0	0	0	111.2	G477 S478 E479 R483 G484 V485	G477-T481 VanDerWaalsContact O-CB 3.23Å; G477-T481 WeakPolarHBondContact O-CB 3.44Å; G477-T481 PolarHBondContact O-N 2.97Å; G477-T481 PolarHBondContact O-OG1 3.38Å; S478-T481 PolarHBondContact O-N 3.45Å; E479-T481 VanDerWaalsContact C-N 3.31Å; E479-T481 PolarHBondContact O-N 3.33Å; T481-R483 VanDerWaalsContact C-N 3.28Å; T481-R483 PolarHBondContact O-N 3.26Å; T481-G484 PolarHBondContact O-N 2.77Å; T481-G484 VanDerWaalsContact O-N 3.12Å; T481-V485 HydrophobicContact CG2-CG2 4.48Å; T481-V485 WeakPolarHBondContact O-CG2 3.36Å; T481-V485 PolarHBondContact O-N 3.3Å
482	L	79	Confident	66.8	Low	91 Å²	91	84.2 Å²	84.2	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-56	-45.6	174.9	179.9	66.9	0	0	0	110.8	S478 E479 G484 V485 V486	S478-L482 WeakPolarHBondContact O-CB 3.28Å; S478-L482 PolarHBondContact O-N 3.19Å; E479-L482 PolarHBondContact O-N 2.99Å; L482-G484 VanDerWaalsContact C-N 3.34Å; L482-G484 PolarHBondContact O-N 2.98Å; L482-V485 PolarHBondContact O-N 2.93Å; L482-V486 HydrophobicContact CD1-CG2 4.38Å; L482-V486 HydrophobicContact CG-CG2 4.48Å; L482-V486 VanDerWaalsContact O-CG2 3.27Å; L482-V486 WeakPolarHBondContact O-CG2 3.44Å; L482-V486 PolarHBondContact O-N 2.79Å
483	R	76.7	Confident	69.6	Low	68 Å²	68	78.4 Å²	78.4	26%	0.257	47%	0.465	S	S	.	.	H	α-helix	trans	-61	-42	176.6	-173.8	147.7	-151	-131.8	15.3	112.4	E479 A480 T481 V486 E487 W549	E479-R483 VanDerWaalsContact O-CB 3.29Å; E479-R483 WeakPolarHBondContact O-CB 3.26Å; E479-R483 PolarHBondContact O-N 2.58Å; A480-R483 PolarHBondContact O-N 2.61Å; T481-R483 VanDerWaalsContact C-N 3.28Å; T481-R483 PolarHBondContact O-N 3.26Å; R483-V486 PolarHBondContact O-N 2.96Å; R483-E487 WeakPolarHBondContact O-CB 3.32Å; R483-E487 PolarHBondContact O-N 2.83Å; R483-W549 HydrophobicContact CB-CH2 4.15Å; R483-W549 HydrophobicContact CB-CZ2 4.46Å; R483-W549 HydrophobicContact CG-CH2 3.61Å; R483-W549 HydrophobicContact CG-CZ2 3.65Å
484	G	77.1	Confident	72.4	Confident	38 Å²	38	75.2 Å²	75.2	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-41.6	173.6	0	0	0	0	0	113.1	A480 T481 L482 E487 E488	A480-G484 PolarHBondContact O-N 3.18Å; T481-G484 PolarHBondContact O-N 2.77Å; T481-G484 VanDerWaalsContact O-N 3.12Å; L482-G484 VanDerWaalsContact C-N 3.34Å; L482-G484 PolarHBondContact O-N 2.98Å; G484-E487 PolarHBondContact O-N 2.75Å; G484-E488 PolarHBondContact O-N 3.27Å
485	V	83.9	Confident	74.8	Confident	88 Å²	88	75.4 Å²	75.4	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-65.1	-45.9	176.7	171.8	0	0	0	0	111.1	T481 L482 E487 E488 L489	T481-V485 HydrophobicContact CG2-CG2 4.48Å; T481-V485 WeakPolarHBondContact O-CG2 3.36Å; T481-V485 PolarHBondContact O-N 3.3Å; L482-V485 PolarHBondContact O-N 2.93Å; V485-E487 VanDerWaalsContact C-N 3.34Å; V485-E487 PolarHBondContact O-N 3.37Å; V485-E488 PolarHBondContact O-N 2.85Å; V485-L489 VanDerWaalsContact O-CB 3.28Å; V485-L489 WeakPolarHBondContact O-CB 3.36Å; V485-L489 PolarHBondContact O-N 2.96Å
486	V	86.5	Confident	77.3	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.03	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-40.3	178.5	177.2	0	0	0	0	110.8	L482 R483 L489 V490 I537 W549	L482-V486 HydrophobicContact CD1-CG2 4.38Å; L482-V486 HydrophobicContact CG-CG2 4.48Å; L482-V486 VanDerWaalsContact O-CG2 3.27Å; L482-V486 WeakPolarHBondContact O-CG2 3.44Å; L482-V486 PolarHBondContact O-N 2.79Å; R483-V486 PolarHBondContact O-N 2.96Å; V486-L489 PolarHBondContact O-N 3.02Å; V486-V490 HydrophobicContact CG1-CG2 4.18Å; V486-V490 WeakPolarHBondContact O-CB 3.45Å; V486-V490 WeakPolarHBondContact O-CG2 3.38Å; V486-V490 PolarHBondContact O-N 3.31Å; V486-I537 HydrophobicContact CG1-CD1 4.17Å; V486-I537 HydrophobicContact CG1-CG2 3.76Å; V486-I537 HydrophobicContact CG2-CD1 3.54Å; V486-I537 HydrophobicContact CG2-CG1 4.48Å; V486-W549 HydrophobicContact CB-CD2 4.5Å; V486-W549 HydrophobicContact CB-CH2 3.93Å; V486-W549 HydrophobicContact CB-CZ2 3.92Å; V486-W549 HydrophobicContact CB-CZ3 4.24Å; V486-W549 HydrophobicContact CG1-CD2 3.52Å; V486-W549 HydrophobicContact CG1-CE3 3.6Å; V486-W549 HydrophobicContact CG1-CG 4.07Å; V486-W549 HydrophobicContact CG1-CH2 3.88Å; V486-W549 HydrophobicContact CG1-CZ2 3.84Å; V486-W549 HydrophobicContact CG1-CZ3 3.77Å
487	E	83.4	Confident	79.6	Confident	75 Å²	75	69 Å²	69	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-49.2	175.3	-170.7	73.8	-161.9	0	0	111.6	Q383 R483 G484 V485 L489 V490 R491 W549	Q383-E487 PolarHBondContact NE2-OE1 2.87Å; R483-E487 WeakPolarHBondContact O-CB 3.32Å; R483-E487 PolarHBondContact O-N 2.83Å; G484-E487 PolarHBondContact O-N 2.75Å; V485-E487 VanDerWaalsContact C-N 3.34Å; V485-E487 PolarHBondContact O-N 3.37Å; E487-L489 VanDerWaalsContact C-N 3.33Å; E487-L489 PolarHBondContact O-N 3.08Å; E487-V490 PolarHBondContact O-N 2.7Å; E487-R491 VanDerWaalsContact O-CB 3.31Å; E487-R491 WeakPolarHBondContact O-CB 3.41Å; E487-R491 PolarHBondContact O-N 2.72Å; E487-W549 PolarHBondContact OE2-NE1 3.45Å
488	E	85.9	Confident	81.5	Confident	103 Å²	103	69.7 Å²	69.7	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-33.5	178.2	-79.4	-59.1	143.3	0	0	112.5	G484 V485 R491 F492	G484-E488 PolarHBondContact O-N 3.27Å; V485-E488 PolarHBondContact O-N 2.85Å; E488-R491 PolarHBondContact O-N 3.01Å; E488-R491 IonicContact OE1-NH1 3.68Å; E488-R491 PolarHBondContact OE1-NH1 3.35Å; E488-F492 WeakPolarHBondContact O-CB 3.27Å; E488-F492 PolarHBondContact O-N 3.36Å
489	L	90.3	Very high	82.6	Confident	55 Å²	55	71.2 Å²	71.2	29%	0.288	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-43.7	175.1	-174.3	63	0	0	0	112	V485 V486 E487 R491 F492 R493 L528 L532	V485-L489 VanDerWaalsContact O-CB 3.28Å; V485-L489 WeakPolarHBondContact O-CB 3.36Å; V485-L489 PolarHBondContact O-N 2.96Å; V486-L489 PolarHBondContact O-N 3.02Å; E487-L489 VanDerWaalsContact C-N 3.33Å; E487-L489 PolarHBondContact O-N 3.08Å; L489-R491 VanDerWaalsContact C-N 3.32Å; L489-F492 PolarHBondContact O-N 2.91Å; L489-R493 WeakPolarHBondContact O-CB 3.44Å; L489-R493 PolarHBondContact O-N 2.88Å; L489-L528 HydrophobicContact CD1-CD1 4.43Å; L489-L528 HydrophobicContact CD1-CD2 4Å; L489-L528 HydrophobicContact CD2-CD1 4.23Å; L489-L528 HydrophobicContact CG-CD2 4.18Å; L489-L532 HydrophobicContact CD2-CD1 3.88Å; L489-L532 HydrophobicContact CD2-CD2 3.94Å; L489-L532 HydrophobicContact CD2-CG 4.42Å; L489-L532 HydrophobicContact CG-CD1 4.48Å
490	V	87	Confident	83.8	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-41.7	175	173.1	0	0	0	0	109.9	V486 E487 R493 Q494 I539 W549	V486-V490 HydrophobicContact CG1-CG2 4.18Å; V486-V490 WeakPolarHBondContact O-CB 3.45Å; V486-V490 WeakPolarHBondContact O-CG2 3.38Å; V486-V490 PolarHBondContact O-N 3.31Å; E487-V490 PolarHBondContact O-N 2.7Å; V490-R493 PolarHBondContact O-N 3.25Å; V490-Q494 VanDerWaalsContact O-CB 3.27Å; V490-Q494 WeakPolarHBondContact O-CB 3.46Å; V490-Q494 PolarHBondContact O-N 3.02Å; V490-I539 HydrophobicContact CG1-CG2 4.44Å; V490-I539 HydrophobicContact CG2-CD1 3.76Å; V490-I539 HydrophobicContact CG2-CG1 4.07Å; V490-W549 HydrophobicContact CG2-CB 4.01Å; V490-W549 HydrophobicContact CG2-CG 3.91Å
491	R	83.2	Confident	84.6	Confident	130 Å²	130	66.6 Å²	66.6	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-41.9	176.5	-167.5	-177.5	-169.2	178.5	5	112.4	E487 E488 L489 Q494 K495	E487-R491 VanDerWaalsContact O-CB 3.31Å; E487-R491 WeakPolarHBondContact O-CB 3.41Å; E487-R491 PolarHBondContact O-N 2.72Å; E488-R491 PolarHBondContact O-N 3.01Å; E488-R491 IonicContact OE1-NH1 3.68Å; E488-R491 PolarHBondContact OE1-NH1 3.35Å; L489-R491 VanDerWaalsContact C-N 3.32Å; R491-Q494 PolarHBondContact O-N 3.19Å; R491-K495 WeakPolarHBondContact O-CG 3.21Å; R491-K495 PolarHBondContact O-N 2.76Å
492	F	90.4	Very high	85	Confident	129 Å²	129	64.4 Å²	64.4	57%	0.566	32%	0.318	S	S	*	.	H	α-helix	trans	-62	-51.9	173.7	173.7	-98.9	0	0	0	111	E488 L489 Q494 K495 V496	E488-F492 WeakPolarHBondContact O-CB 3.27Å; E488-F492 PolarHBondContact O-N 3.36Å; L489-F492 PolarHBondContact O-N 2.91Å; F492-Q494 PolarHBondContact O-N 3.41Å; F492-K495 WeakPolarHBondContact O-CB 3.46Å; F492-K495 PolarHBondContact O-N 2.98Å; F492-K495 VanDerWaalsContact O-N 3.08Å; F492-V496 HydrophobicContact CD1-CG2 4.32Å; F492-V496 HydrophobicContact CE1-CG2 3.86Å; F492-V496 HydrophobicContact CE2-CG2 4.09Å; F492-V496 HydrophobicContact CZ-CG2 3.73Å; F492-V496 WeakPolarHBondContact O-CG2 3.35Å; F492-V496 PolarHBondContact O-N 3.34Å
493	R	92.9	Very high	84.5	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-52.9	-44.8	175.5	-179.1	-173	167.9	-89.2	0.6	111.2	L489 V490 K495 V496 R497 C525 D526 L528 D541	L489-R493 WeakPolarHBondContact O-CB 3.44Å; L489-R493 PolarHBondContact O-N 2.88Å; V490-R493 PolarHBondContact O-N 3.25Å; R493-K495 PolarHBondContact O-N 2.91Å; R493-V496 PolarHBondContact O-N 3.39Å; R493-R497 VanDerWaalsContact O-CB 3.32Å; R493-R497 WeakPolarHBondContact O-CB 3.39Å; R493-R497 PolarHBondContact O-N 2.99Å; R493-C525 HydrophobicContact CG-CB 3.99Å; R493-C525 PolarHBondContact NE-O 3.49Å; R493-D526 IonicContact NH2-OD1 3.79Å; R493-L528 HydrophobicContact CB-CD2 3.99Å; R493-L528 HydrophobicContact CG-CD2 4.23Å; R493-D541 IonicContact CZ-OD1 3.51Å; R493-D541 IonicContact CZ-OD2 2.72Å; R493-D541 IonicContact NH1-OD1 3.01Å; R493-D541 PolarHBondContact NH1-OD1 3.28Å; R493-D541 IonicContact NH1-OD2 3.82Å; R493-D541 PolarHBondContact NH1-OD2 3.15Å; R493-D541 IonicContact NH2-OD1 3.61Å; R493-D541 IonicContact NH2-OD2 3.96Å; R493-D541 PolarHBondContact NH2-OD2 3.5Å
494	Q	86.3	Confident	83.8	Confident	40 Å²	40	66.8 Å²	66.8	19%	0.187	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-43.3	179.3	-179	-176.1	-22	0	0	112.1	V490 R491 F492 R497 Q498 T545	V490-Q494 VanDerWaalsContact O-CB 3.27Å; V490-Q494 WeakPolarHBondContact O-CB 3.46Å; V490-Q494 PolarHBondContact O-N 3.02Å; R491-Q494 PolarHBondContact O-N 3.19Å; F492-Q494 PolarHBondContact O-N 3.41Å; Q494-R497 PolarHBondContact O-N 3.24Å; Q494-Q498 WeakPolarHBondContact O-CB 3.35Å; Q494-Q498 VanDerWaalsContact O-CG 3.28Å; Q494-Q498 WeakPolarHBondContact O-CG 3.31Å; Q494-Q498 PolarHBondContact O-N 3.48Å; Q494-T545 PolarHBondContact NE2-O 3.03Å
495	K	86.4	Confident	83	Confident	126 Å²	126	74.6 Å²	74.6	55%	0.548	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-44	174.7	-72.6	175.9	179.3	176.6	0	111.9	R491 F492 R493 Q498 F499	R491-K495 WeakPolarHBondContact O-CG 3.21Å; R491-K495 PolarHBondContact O-N 2.76Å; F492-K495 WeakPolarHBondContact O-CB 3.46Å; F492-K495 PolarHBondContact O-N 2.98Å; F492-K495 VanDerWaalsContact O-N 3.08Å; R493-K495 PolarHBondContact O-N 2.91Å; K495-Q498 PolarHBondContact O-N 2.89Å; K495-F499 PolarHBondContact O-N 3.22Å
496	V	89.9	Confident	82	Confident	29 Å²	29	72 Å²	72	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-46.3	177.7	176.9	0	0	0	0	110.8	F492 R493 Q498 F499 A500 L521	F492-V496 HydrophobicContact CD1-CG2 4.32Å; F492-V496 HydrophobicContact CE1-CG2 3.86Å; F492-V496 HydrophobicContact CE2-CG2 4.09Å; F492-V496 HydrophobicContact CZ-CG2 3.73Å; F492-V496 WeakPolarHBondContact O-CG2 3.35Å; F492-V496 PolarHBondContact O-N 3.34Å; R493-V496 PolarHBondContact O-N 3.39Å; V496-Q498 PolarHBondContact O-N 2.84Å; V496-F499 PolarHBondContact O-N 2.97Å; V496-A500 WeakPolarHBondContact O-CB 3.24Å; V496-A500 PolarHBondContact O-N 2.87Å; V496-L521 HydrophobicContact CG1-CB 4Å; V496-L521 HydrophobicContact CG1-CD2 4.1Å; V496-L521 HydrophobicContact CG1-CG 4.49Å
497	R	87.9	Confident	81.2	Confident	53 Å²	53	78 Å²	78	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-42.9	177.1	-174.3	178.1	176.8	91.5	-0.4	111.8	R493 Q494 A500 L501 L522 D526 D541	R493-R497 VanDerWaalsContact O-CB 3.32Å; R493-R497 WeakPolarHBondContact O-CB 3.39Å; R493-R497 PolarHBondContact O-N 2.99Å; Q494-R497 PolarHBondContact O-N 3.24Å; R497-A500 PolarHBondContact O-N 3Å; R497-L501 HydrophobicContact CG-CD1 3.88Å; R497-L501 HydrophobicContact CG-CG 4.45Å; R497-L501 WeakPolarHBondContact O-CB 3.46Å; R497-L501 VanDerWaalsContact O-CG 3.29Å; R497-L501 WeakPolarHBondContact O-CG 3.44Å; R497-L501 PolarHBondContact O-N 3.46Å; R497-L522 HydrophobicContact CG-CD2 4.25Å; R497-D526 IonicContact NH1-OD1 2.72Å; R497-D526 PolarHBondContact NH1-OD1 2.87Å; R497-D541 IonicContact CZ-OD2 3.52Å; R497-D541 IonicContact NE-OD2 3.12Å
498	Q	85.4	Confident	80.8	Confident	69 Å²	69	77.3 Å²	77.3	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-44.7	175.8	-78.1	176.2	9.8	0	0	111.9	Q494 K495 V496 A500 L501 A502 T545	Q494-Q498 WeakPolarHBondContact O-CB 3.35Å; Q494-Q498 VanDerWaalsContact O-CG 3.28Å; Q494-Q498 WeakPolarHBondContact O-CG 3.31Å; Q494-Q498 PolarHBondContact O-N 3.48Å; K495-Q498 PolarHBondContact O-N 2.89Å; V496-Q498 PolarHBondContact O-N 2.84Å; Q498-A500 VanDerWaalsContact C-N 3.31Å; Q498-A500 PolarHBondContact O-N 3.4Å; Q498-L501 CarbonylContact O-C 3.51Å; Q498-L501 PolarHBondContact O-N 2.68Å; Q498-A502 WeakPolarHBondContact O-CB 3.41Å; Q498-A502 PolarHBondContact O-N 3.42Å; Q498-T545 VanDerWaalsContact NE2-CA 3.31Å; Q498-T545 PolarHBondContact NE2-O 2.95Å
499	F	85.8	Confident	80.2	Confident	117 Å²	117	80.7 Å²	80.7	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-42.7	175.9	176.9	-96.9	0	0	0	111.6	K495 V496 L501 A502 R518 L521	K495-F499 PolarHBondContact O-N 3.22Å; V496-F499 PolarHBondContact O-N 2.97Å; F499-L501 VanDerWaalsContact C-N 3.35Å; F499-L501 PolarHBondContact O-N 2.78Å; F499-A502 PolarHBondContact O-N 3.18Å; F499-R518 PolarHBondContact O-NH1 3.07Å; F499-L521 HydrophobicContact CD1-CD1 4Å; F499-L521 HydrophobicContact CE1-CD1 4.19Å
500	A	85.8	Confident	79.3	Confident	3 Å²	3	80.6 Å²	80.6	3%	0.025	42%	0.416	C	S	.	.	H	α-helix	trans	-66.2	-36.1	178.5	0	0	0	0	0	112.6	V496 R497 Q498 R518 L521 L522	V496-A500 WeakPolarHBondContact O-CB 3.24Å; V496-A500 PolarHBondContact O-N 2.87Å; R497-A500 PolarHBondContact O-N 3Å; Q498-A500 VanDerWaalsContact C-N 3.31Å; Q498-A500 PolarHBondContact O-N 3.4Å; A500-R518 HydrophobicContact CB-CB 4.35Å; A500-L521 HydrophobicContact CB-CB 4.05Å; A500-L522 HydrophobicContact CB-CD2 3.65Å; A500-L522 HydrophobicContact CB-CG 3.78Å
501	L	81.8	Confident	78.7	Confident	83 Å²	83	86.5 Å²	86.5	44%	0.435	44%	0.438	S	S	.	.	H	α-helix	trans	-87.5	-10.3	178.7	-66.2	175.8	0	0	0	114.4	R497 Q498 F499 K503 L522	R497-L501 HydrophobicContact CG-CD1 3.88Å; R497-L501 HydrophobicContact CG-CG 4.45Å; R497-L501 WeakPolarHBondContact O-CB 3.46Å; R497-L501 VanDerWaalsContact O-CG 3.29Å; R497-L501 WeakPolarHBondContact O-CG 3.44Å; R497-L501 PolarHBondContact O-N 3.46Å; Q498-L501 CarbonylContact O-C 3.51Å; Q498-L501 PolarHBondContact O-N 2.68Å; F499-L501 VanDerWaalsContact C-N 3.35Å; F499-L501 PolarHBondContact O-N 2.78Å; L501-K503 PolarHBondContact O-N 3.04Å; L501-L522 HydrophobicContact CD2-CD1 4.09Å; L501-L522 HydrophobicContact CD2-CD2 3.91Å; L501-L522 HydrophobicContact CG-CD2 3.91Å
502	A	80	Confident	78.3	Confident	45 Å²	45	89.5 Å²	89.5	37%	0.372	45%	0.449	S	S	.	.	S	Bend	trans	-59.5	137.4	-179.3	0	0	0	0	0	110.3	Q498 F499 A504 R518	Q498-A502 WeakPolarHBondContact O-CB 3.41Å; Q498-A502 PolarHBondContact O-N 3.42Å; F499-A502 PolarHBondContact O-N 3.18Å; A502-A504 PolarHBondContact O-N 2.85Å; A502-R518 PolarHBondContact O-NH1 3.27Å; A502-R518 VanDerWaalsContact O-NH1 3.1Å
503	K	67.6	Low	77.7	Confident	192 Å²	192	88.3 Å²	88.3	84%	0.835	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-54.4	129.2	177.9	-80.2	-176.8	177.7	177.5	0	109.5	L501 E505	L501-K503 PolarHBondContact O-N 3.04Å; K503-E505 PolarHBondContact O-N 3.18Å
504	A	62.1	Low	77	Confident	17 Å²	17	90.6 Å²	90.6	14%	0.14	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-58.6	129.4	169.2	0	0	0	0	0	109.6	A502 A506 R511	A502-A504 PolarHBondContact O-N 2.85Å; A504-A506 PolarHBondContact O-N 3.36Å; A504-R511 HydrophobicContact CB-CB 3.97Å; A504-R511 HydrophobicContact CB-CG 3.6Å
505	E	61.5	Low	76.6	Confident	201 Å²	201	92.7 Å²	92.7	94%	0.939	47%	0.468	S	S	*	.	S	Bend	trans	-69.6	-17.5	172	-68.2	-179	163.8	0	0	111.7	K503	K503-E505 PolarHBondContact O-N 3.18Å
506	A	62.4	Low	76.4	Confident	34 Å²	34	91.4 Å²	91.4	28%	0.281	47%	0.467	S	S	.	.	S	Bend	trans	-87	153.9	-179.7	0	0	0	0	0	113.2	A504 A510 R511	A504-A506 PolarHBondContact O-N 3.36Å; A506-A510 HydrophobicContact CB-CB 3.64Å; A506-R511 WeakPolarHBondContact O-CB 3.26Å
507	T	69.8	Low	76.2	Confident	132 Å²	132	96 Å²	96	81%	0.81	49%	0.486	S	S	*	.			trans	-107.7	147.6	175.8	48.1	0	0	0	0	111.9
508	G	75.2	Confident	76.3	Confident	60 Å²	60	95 Å²	95	62%	0.619	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-129.2	173.4	0	0	0	0	0	114.4	A510 R511 R512	G508-A510 PolarHBondContact O-N 3.07Å; G508-R511 WeakPolarHBondContact O-CB 3.38Å; G508-R511 PolarHBondContact O-N 2.98Å; G508-R512 PolarHBondContact O-N 3.46Å
509	E	73.2	Confident	76.4	Confident	174 Å²	174	96 Å²	96	81%	0.813	49%	0.488	S	S	*	.	H	α-helix	trans	-64.4	-37.9	-173.5	-132	155.6	-159.9	0	0	112.8	R511 R512 Q513	E509-R511 VanDerWaalsContact C-N 3.3Å; E509-R511 PolarHBondContact O-N 2.85Å; E509-R512 WeakPolarHBondContact O-CB 3.34Å; E509-R512 PolarHBondContact O-N 2.7Å; E509-Q513 PolarHBondContact O-N 2.6Å
510	A	71.3	Confident	76.8	Confident	53 Å²	53	94 Å²	94	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-32.3	176.9	0	0	0	0	0	113.1	A506 G508 Q514	A506-A510 HydrophobicContact CB-CB 3.64Å; G508-A510 PolarHBondContact O-N 3.07Å; A510-Q514 WeakPolarHBondContact O-CB 3.4Å; A510-Q514 PolarHBondContact O-N 2.79Å
511	R	74.2	Confident	77.1	Confident	128 Å²	128	96.9 Å²	96.9	48%	0.483	50%	0.501	S	S	.	.	H	α-helix	trans	-67.9	-38.9	171.8	173.8	164	-178.8	-163.6	-1.5	111.9	A504 A506 G508 E509 L515	A504-R511 HydrophobicContact CB-CB 3.97Å; A504-R511 HydrophobicContact CB-CG 3.6Å; A506-R511 WeakPolarHBondContact O-CB 3.26Å; G508-R511 WeakPolarHBondContact O-CB 3.38Å; G508-R511 PolarHBondContact O-N 2.98Å; E509-R511 VanDerWaalsContact C-N 3.3Å; E509-R511 PolarHBondContact O-N 2.85Å; R511-L515 HydrophobicContact CG-CD1 4.11Å; R511-L515 VanDerWaalsContact O-CG 3.27Å; R511-L515 WeakPolarHBondContact O-CG 3.42Å; R511-L515 PolarHBondContact O-N 3.24Å
512	R	74.4	Confident	77.4	Confident	193 Å²	193	95.1 Å²	95.1	73%	0.728	49%	0.492	S	S	*	.	H	α-helix	trans	-67.6	-42.5	-179.7	-146.8	174.5	-171	174.8	0.8	110.3	G508 E509 L515 L516	G508-R512 PolarHBondContact O-N 3.46Å; E509-R512 WeakPolarHBondContact O-CB 3.34Å; E509-R512 PolarHBondContact O-N 2.7Å; R512-L515 PolarHBondContact O-N 2.98Å; R512-L516 WeakPolarHBondContact O-CG 3.34Å; R512-L516 PolarHBondContact O-N 3.04Å; R512-L516 VanDerWaalsContact O-N 3.11Å
513	Q	79	Confident	78	Confident	103 Å²	103	97.8 Å²	97.8	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-46.8	174.6	-170.1	61.3	23.1	0	0	112	E509 L515 L516 E517	E509-Q513 PolarHBondContact O-N 2.6Å; Q513-L515 VanDerWaalsContact C-N 3.3Å; Q513-L515 PolarHBondContact O-N 3.42Å; Q513-L516 WeakPolarHBondContact O-CB 3.25Å; Q513-L516 PolarHBondContact O-N 3.2Å; Q513-L516 VanDerWaalsContact O-N 3.14Å; Q513-E517 PolarHBondContact NE2-OE1 2.97Å; Q513-E517 WeakPolarHBondContact O-CG 3.44Å; Q513-E517 PolarHBondContact O-N 2.51Å
514	Q	77.9	Confident	79.1	Confident	51 Å²	51	91.4 Å²	91.4	24%	0.238	48%	0.479	C	S	.	.	H	α-helix	trans	-63.5	-33.9	178.7	-171.5	173.9	47.7	0	0	113.1	A510 R518	A510-Q514 WeakPolarHBondContact O-CB 3.4Å; A510-Q514 PolarHBondContact O-N 2.79Å; Q514-R518 WeakPolarHBondContact O-CB 3.23Å; Q514-R518 VanDerWaalsContact O-CG 3.3Å; Q514-R518 WeakPolarHBondContact O-CG 3.31Å; Q514-R518 PolarHBondContact O-N 2.97Å; Q514-R518 VanDerWaalsContact O-N 3.13Å
515	L	78.1	Confident	80.6	Confident	83 Å²	83	90.8 Å²	90.8	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-69.3	-39	174.4	-73.6	169.2	0	0	0	112	R511 R512 Q513 R518 Q519	R511-L515 HydrophobicContact CG-CD1 4.11Å; R511-L515 VanDerWaalsContact O-CG 3.27Å; R511-L515 WeakPolarHBondContact O-CG 3.42Å; R511-L515 PolarHBondContact O-N 3.24Å; R512-L515 PolarHBondContact O-N 2.98Å; Q513-L515 VanDerWaalsContact C-N 3.3Å; Q513-L515 PolarHBondContact O-N 3.42Å; L515-R518 PolarHBondContact O-N 3.34Å; L515-Q519 PolarHBondContact O-N 3.47Å
516	L	82.1	Confident	82	Confident	100 Å²	100	83.7 Å²	83.7	52%	0.524	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-41.4	174.2	-74.1	163.1	0	0	0	111.4	R512 Q513 R518 Q519 P520	R512-L516 WeakPolarHBondContact O-CG 3.34Å; R512-L516 PolarHBondContact O-N 3.04Å; R512-L516 VanDerWaalsContact O-N 3.11Å; Q513-L516 WeakPolarHBondContact O-CB 3.25Å; Q513-L516 PolarHBondContact O-N 3.2Å; Q513-L516 VanDerWaalsContact O-N 3.14Å; L516-R518 VanDerWaalsContact C-N 3.29Å; L516-R518 PolarHBondContact O-N 2.81Å; L516-Q519 WeakPolarHBondContact O-CB 3.22Å; L516-Q519 PolarHBondContact O-N 2.75Å; L516-P520 WeakPolarHBondContact O-CD 3.37Å
517	E	85.4	Confident	83.4	Confident	125 Å²	125	85.3 Å²	85.3	58%	0.584	45%	0.449	S	S	*	.	H	α-helix	trans	-66.8	-29.6	177.2	-72.6	170.9	-172.8	0	0	113.1	Q513	Q513-E517 PolarHBondContact NE2-OE1 2.97Å; Q513-E517 WeakPolarHBondContact O-CG 3.44Å; Q513-E517 PolarHBondContact O-N 2.51Å
518	R	89.6	Confident	84.5	Confident	32 Å²	32	81.1 Å²	81.1	12%	0.121	42%	0.422	C	S	.	.	H	α-helix	trans	-89.2	-13.9	178.8	-71.5	173.4	175.8	-177.8	2.4	113.7	F499 A500 A502 Q514 L515 L516 L521 L522	F499-R518 PolarHBondContact O-NH1 3.07Å; A500-R518 HydrophobicContact CB-CB 4.35Å; A502-R518 PolarHBondContact O-NH1 3.27Å; A502-R518 VanDerWaalsContact O-NH1 3.1Å; Q514-R518 WeakPolarHBondContact O-CB 3.23Å; Q514-R518 VanDerWaalsContact O-CG 3.3Å; Q514-R518 WeakPolarHBondContact O-CG 3.31Å; Q514-R518 PolarHBondContact O-N 2.97Å; Q514-R518 VanDerWaalsContact O-N 3.13Å; L515-R518 PolarHBondContact O-N 3.34Å; L516-R518 VanDerWaalsContact C-N 3.29Å; L516-R518 PolarHBondContact O-N 2.81Å; R518-L521 WeakPolarHBondContact O-CB 3.36Å; R518-L521 PolarHBondContact O-N 2.55Å; R518-L521 VanDerWaalsContact O-N 3.08Å; R518-L522 PolarHBondContact O-N 3.41Å
519	Q	87.9	Confident	85.2	Confident	91 Å²	91	82 Å²	82	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-55.7	-43.6	-179.6	180	177.9	-17.2	0	0	113.4	L515 L516 L521 L522 E523	L515-Q519 PolarHBondContact O-N 3.47Å; L516-Q519 WeakPolarHBondContact O-CB 3.22Å; L516-Q519 PolarHBondContact O-N 2.75Å; Q519-L521 PolarHBondContact O-N 2.69Å; Q519-L521 VanDerWaalsContact O-N 3.14Å; Q519-L522 WeakPolarHBondContact O-CB 3.18Å; Q519-L522 PolarHBondContact O-N 2.83Å; Q519-E523 WeakPolarHBondContact CG-OE1 3.36Å; Q519-E523 PolarHBondContact NE2-OE1 2.81Å; Q519-E523 PolarHBondContact O-N 3.39Å; Q519-E523 VanDerWaalsContact O-N 3.09Å
520	P	93.3	Very high	86	Confident	75 Å²	75	79.7 Å²	79.7	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-27.7	177.1	-25.7	35.7	0	0	0	113.9	L516 A524	L516-P520 WeakPolarHBondContact O-CD 3.37Å; P520-A524 WeakPolarHBondContact O-CB 3.43Å; P520-A524 PolarHBondContact O-N 2.89Å
521	L	91.6	Very high	86.9	Confident	63 Å²	63	81.1 Å²	81.1	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-71.7	-35.5	176.6	-63.1	173.4	0	0	0	111.9	V496 F499 A500 R518 Q519 C525	V496-L521 HydrophobicContact CG1-CB 4Å; V496-L521 HydrophobicContact CG1-CD2 4.1Å; V496-L521 HydrophobicContact CG1-CG 4.49Å; F499-L521 HydrophobicContact CD1-CD1 4Å; F499-L521 HydrophobicContact CE1-CD1 4.19Å; A500-L521 HydrophobicContact CB-CB 4.05Å; R518-L521 WeakPolarHBondContact O-CB 3.36Å; R518-L521 PolarHBondContact O-N 2.55Å; R518-L521 VanDerWaalsContact O-N 3.08Å; Q519-L521 PolarHBondContact O-N 2.69Å; Q519-L521 VanDerWaalsContact O-N 3.14Å; L521-C525 PolarHBondContact O-N 2.55Å; L521-C525 PolarHBondContact O-SG 3.29Å
522	L	89.3	Confident	87.5	Confident	46 Å²	46	75.8 Å²	75.8	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-68.5	-43.3	174	-67.8	174.7	0	0	0	110.8	R497 A500 L501 R518 Q519 C525 D526	R497-L522 HydrophobicContact CG-CD2 4.25Å; A500-L522 HydrophobicContact CB-CD2 3.65Å; A500-L522 HydrophobicContact CB-CG 3.78Å; L501-L522 HydrophobicContact CD2-CD1 4.09Å; L501-L522 HydrophobicContact CD2-CD2 3.91Å; L501-L522 HydrophobicContact CG-CD2 3.91Å; R518-L522 PolarHBondContact O-N 3.41Å; Q519-L522 WeakPolarHBondContact O-CB 3.18Å; Q519-L522 PolarHBondContact O-N 2.83Å; L522-C525 WeakPolarHBondContact O-CB 3.48Å; L522-C525 PolarHBondContact O-N 3.02Å; L522-D526 PolarHBondContact O-N 3.19Å
523	E	91.6	Very high	88.1	Confident	100 Å²	100	69.5 Å²	69.5	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-47.5	175	-69.4	171	-172.8	0	0	110.6	Q519 C525 D526 T527	Q519-E523 WeakPolarHBondContact CG-OE1 3.36Å; Q519-E523 PolarHBondContact NE2-OE1 2.81Å; Q519-E523 PolarHBondContact O-N 3.39Å; Q519-E523 VanDerWaalsContact O-N 3.09Å; E523-C525 VanDerWaalsContact C-N 3.31Å; E523-C525 PolarHBondContact O-N 2.86Å; E523-D526 PolarHBondContact O-N 3.29Å; E523-D526 VanDerWaalsContact O-N 3.08Å; E523-T527 PolarHBondContact O-N 3.22Å; E523-T527 PolarHBondContact O-OG1 2.87Å; E523-T527 VanDerWaalsContact O-OG1 3.06Å
524	A	91.4	Very high	88.1	Confident	58 Å²	58	67 Å²	67	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-38.8	175.2	0	0	0	0	0	113	P520 D526 L528	P520-A524 WeakPolarHBondContact O-CB 3.43Å; P520-A524 PolarHBondContact O-N 2.89Å; A524-D526 VanDerWaalsContact C-N 3.35Å; A524-L528 WeakPolarHBondContact O-CB 3.33Å; A524-L528 PolarHBondContact O-N 2.81Å
525	C	92.6	Very high	88.3	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.034	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-38.5	174.5	-71.2	0	0	0	0	112.1	R493 L521 L522 E523 R529	R493-C525 HydrophobicContact CG-CB 3.99Å; R493-C525 PolarHBondContact NE-O 3.49Å; L521-C525 PolarHBondContact O-N 2.55Å; L521-C525 PolarHBondContact O-SG 3.29Å; L522-C525 WeakPolarHBondContact O-CB 3.48Å; L522-C525 PolarHBondContact O-N 3.02Å; E523-C525 VanDerWaalsContact C-N 3.31Å; E523-C525 PolarHBondContact O-N 2.86Å; C525-R529 PolarHBondContact O-N 2.71Å
526	D	91.4	Very high	88.4	Confident	52 Å²	52	67.7 Å²	67.7	28%	0.278	36%	0.36	S	S	.	.	H	α-helix	trans	-74.8	-37.9	180	-74.7	-19.4	0	0	0	111.9	R493 R497 L522 E523 A524 R529 Q530	R493-D526 IonicContact NH2-OD1 3.79Å; R497-D526 IonicContact NH1-OD1 2.72Å; R497-D526 PolarHBondContact NH1-OD1 2.87Å; L522-D526 PolarHBondContact O-N 3.19Å; E523-D526 PolarHBondContact O-N 3.29Å; E523-D526 VanDerWaalsContact O-N 3.08Å; A524-D526 VanDerWaalsContact C-N 3.35Å; D526-R529 PolarHBondContact O-N 3.21Å; D526-R529 IonicContact OD1-CZ 2.66Å; D526-R529 IonicContact OD1-NH2 3.23Å; D526-R529 PolarHBondContact OD1-NH2 3.4Å; D526-Q530 WeakPolarHBondContact O-CG 3.39Å; D526-Q530 PolarHBondContact O-N 3.33Å
527	T	93.2	Very high	88.6	Confident	68 Å²	68	63.5 Å²	63.5	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-51.1	170.1	-58.6	0	0	0	0	110.9	E523 R529 Q530 D531	E523-T527 PolarHBondContact O-N 3.22Å; E523-T527 PolarHBondContact O-OG1 2.87Å; E523-T527 VanDerWaalsContact O-OG1 3.06Å; T527-R529 VanDerWaalsContact C-N 3.25Å; T527-R529 PolarHBondContact O-N 2.92Å; T527-Q530 WeakPolarHBondContact O-CB 3.38Å; T527-Q530 PolarHBondContact O-N 3.03Å; T527-D531 PolarHBondContact O-N 2.64Å
528	L	91	Very high	88.6	Confident	44 Å²	44	58.8 Å²	58.8	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-38.4	178.4	-178.8	62.1	0	0	0	112.4	L489 R493 A524 L532	L489-L528 HydrophobicContact CD1-CD1 4.43Å; L489-L528 HydrophobicContact CD1-CD2 4Å; L489-L528 HydrophobicContact CD2-CD1 4.23Å; L489-L528 HydrophobicContact CG-CD2 4.18Å; R493-L528 HydrophobicContact CB-CD2 3.99Å; R493-L528 HydrophobicContact CG-CD2 4.23Å; A524-L528 WeakPolarHBondContact O-CB 3.33Å; A524-L528 PolarHBondContact O-N 2.81Å; L528-L532 HydrophobicContact CD1-CD1 4.11Å; L528-L532 HydrophobicContact CD1-CG 4.23Å; L528-L532 HydrophobicContact CG-CD1 4.03Å; L528-L532 WeakPolarHBondContact O-CB 3.44Å; L528-L532 VanDerWaalsContact O-CG 3.22Å; L528-L532 WeakPolarHBondContact O-CG 3.26Å; L528-L532 PolarHBondContact O-N 3.05Å
529	R	91.4	Very high	88.5	Confident	78 Å²	78	57.7 Å²	57.7	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-41.6	175.3	176.1	178.5	67.9	178	2.6	111.7	C525 D526 T527 T533 I539 D541	C525-R529 PolarHBondContact O-N 2.71Å; D526-R529 PolarHBondContact O-N 3.21Å; D526-R529 IonicContact OD1-CZ 2.66Å; D526-R529 IonicContact OD1-NH2 3.23Å; D526-R529 PolarHBondContact OD1-NH2 3.4Å; T527-R529 VanDerWaalsContact C-N 3.25Å; T527-R529 PolarHBondContact O-N 2.92Å; R529-T533 PolarHBondContact O-N 3.4Å; R529-T533 VanDerWaalsContact O-N 3.13Å; R529-T533 PolarHBondContact O-OG1 3.1Å; R529-I539 HydrophobicContact CG-CB 4.13Å; R529-D541 IonicContact NH1-OD2 2.87Å; R529-D541 PolarHBondContact NH1-OD2 3.39Å
530	Q	89.6	Confident	88.2	Confident	126 Å²	126	56.1 Å²	56.1	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-66	-45.7	177.8	-73.1	174.8	0.4	0	0	111.4	D526 T527 L532 T533 A534	D526-Q530 WeakPolarHBondContact O-CG 3.39Å; D526-Q530 PolarHBondContact O-N 3.33Å; T527-Q530 WeakPolarHBondContact O-CB 3.38Å; T527-Q530 PolarHBondContact O-N 3.03Å; Q530-L532 PolarHBondContact O-N 2.96Å; Q530-T533 VanDerWaalsContact O-CB 3.3Å; Q530-T533 WeakPolarHBondContact O-CB 3.43Å; Q530-T533 PolarHBondContact O-N 2.97Å; Q530-T533 VanDerWaalsContact O-N 3.11Å; Q530-A534 PolarHBondContact O-N 2.95Å; Q530-A534 VanDerWaalsContact O-N 3.14Å
531	D	89.3	Confident	87.7	Confident	83 Å²	83	54.7 Å²	54.7	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-46	179.3	-67	-16.7	0	0	0	111.2	T527 T533 A534 H535	T527-D531 PolarHBondContact O-N 2.64Å; D531-T533 PolarHBondContact O-N 3.45Å; D531-A534 WeakPolarHBondContact O-CA 3.2Å; D531-A534 WeakPolarHBondContact O-CB 3.42Å; D531-A534 PolarHBondContact O-N 2.85Å; D531-H535 PolarHBondContact O-CD2 3.3Å; D531-H535 PolarHBondContact O-N 3.42Å
532	L	87.6	Confident	86.7	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-34.6	175.8	-73.5	173.4	0	0	0	112.2	L489 L528 Q530 A534 H535 G536 I537 I539	L489-L532 HydrophobicContact CD2-CD1 3.88Å; L489-L532 HydrophobicContact CD2-CD2 3.94Å; L489-L532 HydrophobicContact CD2-CG 4.42Å; L489-L532 HydrophobicContact CG-CD1 4.48Å; L528-L532 HydrophobicContact CD1-CD1 4.11Å; L528-L532 HydrophobicContact CD1-CG 4.23Å; L528-L532 HydrophobicContact CG-CD1 4.03Å; L528-L532 WeakPolarHBondContact O-CB 3.44Å; L528-L532 VanDerWaalsContact O-CG 3.22Å; L528-L532 WeakPolarHBondContact O-CG 3.26Å; L528-L532 PolarHBondContact O-N 3.05Å; Q530-L532 PolarHBondContact O-N 2.96Å; L532-A534 VanDerWaalsContact C-N 3.29Å; L532-A534 PolarHBondContact O-N 3.43Å; L532-H535 CarbonylContact O-C 3.38Å; L532-H535 WeakPolarHBondContact O-CA 3.2Å; L532-H535 PolarHBondContact O-N 2.62Å; L532-G536 PolarHBondContact O-N 2.99Å; L532-I537 CarbonylContact C-O 3.54Å; L532-I537 HydrophobicContact CB-CB 4.08Å; L532-I537 HydrophobicContact CB-CG2 4.2Å; L532-I537 HydrophobicContact CD2-CD1 3.92Å; L532-I537 WeakPolarHBondContact O-CA 3.27Å; L532-I537 WeakPolarHBondContact O-CB 3.49Å; L532-I537 PolarHBondContact O-N 3.36Å; L532-I537 VanDerWaalsContact O-O 3.12Å; L532-I539 HydrophobicContact CD1-CD1 3.62Å; L532-I539 HydrophobicContact CD1-CG1 4.46Å
533	T	86.1	Confident	85.7	Confident	61 Å²	61	53.8 Å²	53.8	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-39.4	174.4	-55.6	0	0	0	0	111	R529 Q530 D531 H535 G536 I537 L552	R529-T533 PolarHBondContact O-N 3.4Å; R529-T533 VanDerWaalsContact O-N 3.13Å; R529-T533 PolarHBondContact O-OG1 3.1Å; Q530-T533 VanDerWaalsContact O-CB 3.3Å; Q530-T533 WeakPolarHBondContact O-CB 3.43Å; Q530-T533 PolarHBondContact O-N 2.97Å; Q530-T533 VanDerWaalsContact O-N 3.11Å; D531-T533 PolarHBondContact O-N 3.45Å; T533-H535 PolarHBondContact O-N 3.01Å; T533-G536 PolarHBondContact O-N 3.05Å; T533-I537 VanDerWaalsContact CA-O 3.23Å; T533-I537 WeakPolarHBondContact CA-O 3.45Å; T533-I537 PolarHBondContact N-O 2.96Å; T533-I537 VanDerWaalsContact N-O 3.11Å; T533-L552 HydrophobicContact CG2-CD1 4.18Å
534	A	80.8	Confident	84.4	Confident	50 Å²	50	53.1 Å²	53.1	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-23.2	173.9	0	0	0	0	0	112.8	Q530 D531 L532 G536 K557	Q530-A534 PolarHBondContact O-N 2.95Å; Q530-A534 VanDerWaalsContact O-N 3.14Å; D531-A534 WeakPolarHBondContact O-CA 3.2Å; D531-A534 WeakPolarHBondContact O-CB 3.42Å; D531-A534 PolarHBondContact O-N 2.85Å; L532-A534 VanDerWaalsContact C-N 3.29Å; L532-A534 PolarHBondContact O-N 3.43Å; A534-G536 VanDerWaalsContact C-N 3.32Å; A534-K557 WeakPolarHBondContact O-CE 3.42Å; A534-K557 PolarHBondContact O-NZ 3.09Å
535	H	81.5	Confident	83.1	Confident	140 Å²	140	53.9 Å²	53.9	65%	0.648	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	10.8	173.1	-64.9	-65.7	0	0	0	113.8	D531 L532 T533	D531-H535 PolarHBondContact O-CD2 3.3Å; D531-H535 PolarHBondContact O-N 3.42Å; L532-H535 CarbonylContact O-C 3.38Å; L532-H535 WeakPolarHBondContact O-CA 3.2Å; L532-H535 PolarHBondContact O-N 2.62Å; T533-H535 PolarHBondContact O-N 3.01Å
536	G	81.1	Confident	82.1	Confident	9 Å²	9	55 Å²	55	9%	0.093	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	29.9	179.9	0	0	0	0	0	112.8	L532 T533 A534 L551 L552	L532-G536 PolarHBondContact O-N 2.99Å; T533-G536 PolarHBondContact O-N 3.05Å; A534-G536 VanDerWaalsContact C-N 3.32Å; G536-L551 CarbonylContact O-C 3.58Å; G536-L551 WeakPolarHBondContact O-CA 3.49Å; G536-L552 PolarHBondContact O-N 3.25Å
537	I	84.8	Confident	81.7	Confident	11 Å²	11	53.1 Å²	53.1	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.2	174.2	-65.7	156.5	0	0	0	108	V486 L532 T533 W549 E550 L551	V486-I537 HydrophobicContact CG1-CD1 4.17Å; V486-I537 HydrophobicContact CG1-CG2 3.76Å; V486-I537 HydrophobicContact CG2-CD1 3.54Å; V486-I537 HydrophobicContact CG2-CG1 4.48Å; L532-I537 CarbonylContact C-O 3.54Å; L532-I537 HydrophobicContact CB-CB 4.08Å; L532-I537 HydrophobicContact CB-CG2 4.2Å; L532-I537 HydrophobicContact CD2-CD1 3.92Å; L532-I537 WeakPolarHBondContact O-CA 3.27Å; L532-I537 WeakPolarHBondContact O-CB 3.49Å; L532-I537 PolarHBondContact O-N 3.36Å; L532-I537 VanDerWaalsContact O-O 3.12Å; T533-I537 VanDerWaalsContact CA-O 3.23Å; T533-I537 WeakPolarHBondContact CA-O 3.45Å; T533-I537 PolarHBondContact N-O 2.96Å; T533-I537 VanDerWaalsContact N-O 3.11Å; I537-W549 HydrophobicContact CG2-CE3 4.05Å; I537-W549 HydrophobicContact CG2-CB 4.43Å; I537-E550 WeakPolarHBondContact CA-O 3.43Å; I537-L551 HydrophobicContact CG1-CD2 3.74Å
538	S	86.4	Confident	81.1	Confident	26 Å²	26	50.4 Å²	50.4	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.2	175.4	-170	0	0	0	0	110.3	W549 E550	S538-W549 CarbonylContact O-C 3.5Å; S538-W549 WeakPolarHBondContact O-CA 3.15Å; S538-W549 WeakPolarHBondContact O-CB 3.37Å; S538-E550 PolarHBondContact N-O 3.09Å; S538-E550 PolarHBondContact O-N 3.1Å
539	I	86.8	Confident	80.9	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	172.2	-55.3	-179.7	0	0	0	109.5	V490 R529 L532 T548 W549	V490-I539 HydrophobicContact CG1-CG2 4.44Å; V490-I539 HydrophobicContact CG2-CD1 3.76Å; V490-I539 HydrophobicContact CG2-CG1 4.07Å; R529-I539 HydrophobicContact CG-CB 4.13Å; L532-I539 HydrophobicContact CD1-CD1 3.62Å; L532-I539 HydrophobicContact CD1-CG1 4.46Å; I539-T548 CarbonylContact C-O 3.59Å; I539-T548 WeakPolarHBondContact CA-O 3.4Å; I539-W549 HydrophobicContact CG1-CB 4.26Å
540	K	80.9	Confident	80.2	Confident	58 Å²	58	47.8 Å²	47.8	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.5	174.1	-67.1	175.2	-179	165.7	0	109.4	R542 T548 E550	K540-R542 PolarHBondContact O-N 3.21Å; K540-T548 PolarHBondContact N-O 3.14Å; K540-T548 PolarHBondContact O-N 3.01Å; K540-T548 PolarHBondContact O-OG1 3.39Å; K540-E550 WeakPolarHBondContact CE-OE1 3.21Å; K540-E550 IonicContact NZ-OE1 2.94Å; K540-E550 PolarHBondContact NZ-OE1 3.04Å; K540-E550 IonicContact NZ-OE2 3.54Å; K540-E550 PolarHBondContact NZ-OE2 3.33Å
541	D	82.7	Confident	79.7	Confident	44 Å²	44	45.3 Å²	45.3	24%	0.235	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	109.7	171.5	-66.5	-40.6	0	0	0	108.6	R493 R497 R529 S547	R493-D541 IonicContact CZ-OD1 3.51Å; R493-D541 IonicContact CZ-OD2 2.72Å; R493-D541 IonicContact NH1-OD1 3.01Å; R493-D541 PolarHBondContact NH1-OD1 3.28Å; R493-D541 IonicContact NH1-OD2 3.82Å; R493-D541 PolarHBondContact NH1-OD2 3.15Å; R493-D541 IonicContact NH2-OD1 3.61Å; R493-D541 IonicContact NH2-OD2 3.96Å; R493-D541 PolarHBondContact NH2-OD2 3.5Å; R497-D541 IonicContact CZ-OD2 3.52Å; R497-D541 IonicContact NE-OD2 3.12Å; R529-D541 IonicContact NH1-OD2 2.87Å; R529-D541 PolarHBondContact NH1-OD2 3.39Å; D541-S547 PolarHBondContact OD1-OG 3.05Å
542	R	71.8	Confident	78.7	Confident	51 Å²	51	44.3 Å²	44.3	19%	0.192	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-39	-173.7	-61.5	-63.3	-175	153.2	0.2	112.1	D375 L384 K540 T546 T548	D375-R542 IonicContact OD1-CZ 2.66Å; D375-R542 IonicContact OD1-NH1 2.62Å; D375-R542 PolarHBondContact OD1-NH1 2.65Å; D375-R542 IonicContact OD1-NH2 2.9Å; D375-R542 PolarHBondContact OD1-NH2 3.33Å; D375-R542 IonicContact OD2-NH1 3.37Å; L384-R542 HydrophobicContact CD1-CB 4.48Å; L384-R542 HydrophobicContact CD1-CG 4.04Å; K540-R542 PolarHBondContact O-N 3.21Å; R542-T546 PolarHBondContact N-O 3.28Å; R542-T548 HydrophobicContact CG-CG2 4.11Å; R542-T548 PolarHBondContact NE-OG1 3.09Å; R542-T548 PolarHBondContact NH2-OG1 3.48Å
543	N	67.6	Low	77.1	Confident	40 Å²	40	48.9 Å²	48.9	21%	0.214	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	-174.6	174.8	59.7	32.7	0	0	0	109.8	T545 T546	N543-T545 PolarHBondContact O-N 2.81Å; N543-T545 VanDerWaalsContact O-N 3.15Å; N543-T545 VanDerWaalsContact OD1-C 3.31Å; N543-T545 WeakPolarHBondContact OD1-CA 3.21Å; N543-T545 PolarHBondContact OD1-N 3.32Å; N543-T545 PolarHBondContact OD1-OG1 3.03Å; N543-T546 WeakPolarHBondContact OD1-CA 3.38Å; N543-T546 PolarHBondContact OD1-OG1 3.45Å; N543-T546 PolarHBondContact OD1-N 3.33Å; N543-T546 WeakPolarHBondContact OD1-CB 3.1Å; N543-T546 PolarHBondContact N-O 2.8Å
544	S	64.7	Low	75.1	Confident	85 Å²	85	53.9 Å²	53.9	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.8	178.9	53.9	0	0	0	0	113.7
545	T	63	Low	73.5	Confident	74 Å²	74	59.4 Å²	59.4	45%	0.454	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-2.2	-172.9	57.7	0	0	0	0	114	Q494 Q498 N543	Q494-T545 PolarHBondContact NE2-O 3.03Å; Q498-T545 VanDerWaalsContact NE2-CA 3.31Å; Q498-T545 PolarHBondContact NE2-O 2.95Å; N543-T545 PolarHBondContact O-N 2.81Å; N543-T545 VanDerWaalsContact O-N 3.15Å; N543-T545 VanDerWaalsContact OD1-C 3.31Å; N543-T545 WeakPolarHBondContact OD1-CA 3.21Å; N543-T545 PolarHBondContact OD1-N 3.32Å; N543-T545 PolarHBondContact OD1-OG1 3.03Å
546	T	72.1	Confident	71.4	Confident	29 Å²	29	57.7 Å²	57.7	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	128.5	-170.2	-44.5	0	0	0	0	112.5	Q383 R542 N543	Q383-T546 WeakPolarHBondContact O-CG2 3.29Å; R542-T546 PolarHBondContact N-O 3.28Å; N543-T546 WeakPolarHBondContact OD1-CA 3.38Å; N543-T546 PolarHBondContact OD1-OG1 3.45Å; N543-T546 PolarHBondContact OD1-N 3.33Å; N543-T546 WeakPolarHBondContact OD1-CB 3.1Å; N543-T546 PolarHBondContact N-O 2.8Å
547	S	83.6	Confident	69.1	Low	12 Å²	12	64.3 Å²	64.3	8%	0.084	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.9	172.6	-58.2	0	0	0	0	109.9	D541	D541-S547 PolarHBondContact OD1-OG 3.05Å
548	T	81.3	Confident	66.7	Low	12 Å²	12	71.5 Å²	71.5	7%	0.074	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.4	172.7	53.5	0	0	0	0	109.3	A378 Q383 I539 K540 R542	A378-T548 HydrophobicContact CB-CG2 4.21Å; Q383-T548 HydrophobicContact CB-CG2 3.89Å; I539-T548 CarbonylContact C-O 3.59Å; I539-T548 WeakPolarHBondContact CA-O 3.4Å; K540-T548 PolarHBondContact N-O 3.14Å; K540-T548 PolarHBondContact O-N 3.01Å; K540-T548 PolarHBondContact O-OG1 3.39Å; R542-T548 HydrophobicContact CG-CG2 4.11Å; R542-T548 PolarHBondContact NE-OG1 3.09Å; R542-T548 PolarHBondContact NH2-OG1 3.48Å
549	W	85.6	Confident	64.1	Low	24 Å²	24	78 Å²	78	9%	0.091	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.2	178.3	67.2	-84.6	0	0	0	112.2	R483 V486 E487 V490 I537 S538 I539 L551	R483-W549 HydrophobicContact CB-CH2 4.15Å; R483-W549 HydrophobicContact CB-CZ2 4.46Å; R483-W549 HydrophobicContact CG-CH2 3.61Å; R483-W549 HydrophobicContact CG-CZ2 3.65Å; V486-W549 HydrophobicContact CB-CD2 4.5Å; V486-W549 HydrophobicContact CB-CH2 3.93Å; V486-W549 HydrophobicContact CB-CZ2 3.92Å; V486-W549 HydrophobicContact CB-CZ3 4.24Å; V486-W549 HydrophobicContact CG1-CD2 3.52Å; V486-W549 HydrophobicContact CG1-CE3 3.6Å; V486-W549 HydrophobicContact CG1-CG 4.07Å; V486-W549 HydrophobicContact CG1-CH2 3.88Å; V486-W549 HydrophobicContact CG1-CZ2 3.84Å; V486-W549 HydrophobicContact CG1-CZ3 3.77Å; E487-W549 PolarHBondContact OE2-NE1 3.45Å; V490-W549 HydrophobicContact CG2-CB 4.01Å; V490-W549 HydrophobicContact CG2-CG 3.91Å; I537-W549 HydrophobicContact CG2-CE3 4.05Å; I537-W549 HydrophobicContact CG2-CB 4.43Å; S538-W549 CarbonylContact O-C 3.5Å; S538-W549 WeakPolarHBondContact O-CA 3.15Å; S538-W549 WeakPolarHBondContact O-CB 3.37Å; I539-W549 HydrophobicContact CG1-CB 4.26Å; W549-L551 HydrophobicContact CZ3-CD2 3.95Å; W549-L551 HydrophobicContact CZ3-CG 3.85Å
550	E	77.1	Confident	61.3	Low	43 Å²	43	86.7 Å²	86.7	20%	0.201	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.5	176.6	64.7	-168.8	-173.8	0	0	110.7	I537 S538 K540	I537-E550 WeakPolarHBondContact CA-O 3.43Å; S538-E550 PolarHBondContact N-O 3.09Å; S538-E550 PolarHBondContact O-N 3.1Å; K540-E550 WeakPolarHBondContact CE-OE1 3.21Å; K540-E550 IonicContact NZ-OE1 2.94Å; K540-E550 PolarHBondContact NZ-OE1 3.04Å; K540-E550 IonicContact NZ-OE2 3.54Å; K540-E550 PolarHBondContact NZ-OE2 3.33Å
551	L	78.1	Confident	59	Low	73 Å²	73	90 Å²	90	38%	0.382	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.3	169.1	-67.8	170.3	0	0	0	108.9	G536 I537 W549	G536-L551 CarbonylContact O-C 3.58Å; G536-L551 WeakPolarHBondContact O-CA 3.49Å; I537-L551 HydrophobicContact CG1-CD2 3.74Å; W549-L551 HydrophobicContact CZ3-CD2 3.95Å; W549-L551 HydrophobicContact CZ3-CG 3.85Å
552	L	68.9	Low	56.7	Low	62 Å²	62	94.9 Å²	94.9	33%	0.325	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-88.3	134.9	169.7	-59	173	0	0	0	108.4	T533 G536 Q554	T533-L552 HydrophobicContact CG2-CD1 4.18Å; G536-L552 PolarHBondContact O-N 3.25Å; L552-Q554 PolarHBondContact O-N 2.99Å
553	D	54.5	Low	54.8	Low	112 Å²	112	99 Å²	99	60%	0.599	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.6	131.7	175.3	-140.1	-15.2	0	0	0	109.5	R555 T556	D553-R555 PolarHBondContact O-N 3.3Å; D553-T556 PolarHBondContact O-OG1 3.23Å
554	Q	44	Very low	54.2	Low	167 Å²	167	102 Å²	102	78%	0.78	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-64.2	-0.2	-170.8	-78.1	-175.5	-3.3	0	0	114.6	L552	L552-Q554 PolarHBondContact O-N 2.99Å
555	R	46.9	Very low	53.6	Low	165 Å²	165	102.9 Å²	102.9	62%	0.623	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-95.1	4.2	-172.5	-57.3	-174.7	-141.2	-164.5	1.4	115.1	D553	D553-R555 PolarHBondContact O-N 3.3Å
556	T	36.8	Very low	53.1	Low	105 Å²	105	104.5 Å²	104.5	64%	0.644	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-91.8	5.5	-179.8	-10.4	0	0	0	0	114.4	D553 D558	D553-T556 PolarHBondContact O-OG1 3.23Å; T556-D558 PolarHBondContact O-N 3.4Å
557	K	34.4	Very low	52	Low	148 Å²	148	108.9 Å²	108.9	64%	0.643	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-14.6	-172.9	-82.6	-173.2	175.9	-178.9	0	116.1	A534	A534-K557 WeakPolarHBondContact O-CE 3.42Å; A534-K557 PolarHBondContact O-NZ 3.09Å
558	D	34.1	Very low	50	Low	161 Å²	161	115 Å²	115	86%	0.861	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	39.5	-175.2	-71.6	-24.2	0	0	0	114.4	T556	T556-D558 PolarHBondContact O-N 3.4Å
559	Q	31.8	Very low	47.9	Very low	163 Å²	163	121.9 Å²	121.9	76%	0.762	66%	0.659	S	S	*	*			trans	-109.1	86.2	159.9	-71.9	-171.6	8	0	0	109.7
560	K	27.7	Very low	45.2	Very low	193 Å²	193	128.9 Å²	128.9	84%	0.839	70%	0.7	S	S	*	*			trans	-74.2	135.8	155.9	-87	-175.2	176.8	179.1	0	108.5	V562	K560-V562 PolarHBondContact O-N 3.29Å
561	P	33.3	Very low	42.8	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	74%	0.738	S	S	*	*			trans	-67.9	125.1	167.4	27.7	-29.5	0	0	0	108.4	G563	P561-G563 PolarHBondContact O-N 3.22Å
562	V	33.2	Very low	39.8	Very low	147 Å²	147	140.7 Å²	140.7	89%	0.891	77%	0.768	S	S	*	*			trans	-73	111.2	166.6	-179.9	0	0	0	0	106.1	K560	K560-V562 PolarHBondContact O-N 3.29Å
563	G	32.3	Very low	37.2	Very low	139 Å²	139	147.8 Å²	147.8	100%	1.433	81%	0.808	S	S	*	*			trans	-78	0	165	0	0	0	0	0	111.8	P561	P561-G563 PolarHBondContact O-N 3.22Å

Retrieved 563 of 563 residues in 192.8 ms (Link to these results)

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