A0A096NBM9_PAPAN Loading...

Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial

Carboxyltransferase subunit of the 3-methylcrotonyl-CoA carboxylase, an enzyme that catalyzes the conversion of 3-methylcrotonyl-CoA to 3-methylglutaconyl-CoA, a critical step for leucine and isovaleric acid catabolism.

AlphaFold DB , UniProt , Accession A0A096NBM9, Species PAPAN (Papio anubis, Olive baboon), Gene MCCC2, Length 563 aa.

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(Predicted Aligned Error values between residue pairs)

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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	48.5	Very low	42	Very low	230 Å²	230	158.7 Å²	158.7	100%	1.133	80%	0.798	S	S	*	*				0	39.6	0	-156.1	169	110.9	0	0	113
2	W	44.6	Very low	41.8	Very low	233 Å²	233	155.3 Å²	155.3	88%	0.883	80%	0.798	S	S	*	*			trans	-144.5	19.1	172	-84.1	80.7	0	0	0	112.3
3	A	40.7	Very low	41.9	Very low	86 Å²	86	151.3 Å²	151.3	71%	0.711	80%	0.802	S	S	*	*	S	Bend	trans	-103.9	-9.5	176.5	0	0	0	0	0	113.1
4	A	44.6	Very low	41.8	Very low	87 Å²	87	157.4 Å²	157.4	72%	0.719	81%	0.809	S	S	*	*	S	Bend	trans	-91.2	-2.2	-178.4	0	0	0	0	0	114.4
5	L	43.1	Very low	41.7	Very low	132 Å²	132	152.7 Å²	152.7	69%	0.691	80%	0.803	S	S	*	*	S	Bend	trans	-100.7	0.8	-179.9	-97	145.5	0	0	0	114.2
6	R	41.6	Very low	41.9	Very low	222 Å²	222	150.3 Å²	150.3	84%	0.838	80%	0.803	S	S	*	*	S	Bend	trans	-93.3	6.5	175.1	-75.3	-173.6	176.6	-167.9	-1	114.2
7	L	40.2	Very low	42.2	Very low	129 Å²	129	147.8 Å²	147.8	68%	0.675	80%	0.796	S	S	*	*	S	Bend	trans	-105.9	5.5	-176.9	-104.6	142.1	0	0	0	114.6
8	I	44.8	Very low	42.6	Very low	137 Å²	137	145.3 Å²	145.3	70%	0.703	80%	0.8	S	S	*	*	S	Bend	trans	-100	-0.9	-179.9	-63.9	177.8	0	0	0	113.3
9	L	39.1	Very low	42.9	Very low	170 Å²	170	141.1 Å²	141.1	89%	0.89	79%	0.793	S	S	*	*	S	Bend	trans	-129	35.5	176.5	-67.9	171.7	0	0	0	113.3
10	R	37.5	Very low	43.3	Very low	198 Å²	198	142.3 Å²	142.3	75%	0.747	80%	0.796	S	S	*	*	S	Bend	trans	-87.8	127.2	157.6	-76.6	-173	174.9	-165.9	-1.9	107.5	C12	R10-C12 PolarHBondContact O-N 2.72Å; R10-C12 VanDerWaalsContact O-N 3.12Å
11	P	37.1	Very low	43.8	Very low	122 Å²	122	146.8 Å²	146.8	79%	0.792	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.7	121.3	167.6	7.7	1.2	0	0	0	106.8	A13	P11-A13 PolarHBondContact O-N 3.01Å; P11-A13 VanDerWaalsContact O-N 3.11Å
12	C	39.4	Very low	43.9	Very low	118 Å²	118	140.2 Å²	140.2	80%	0.797	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-46.4	122.8	161.3	-78.4	0	0	0	0	107.4	R10 R14	R10-C12 PolarHBondContact O-N 2.72Å; R10-C12 VanDerWaalsContact O-N 3.12Å; C12-R14 VanDerWaalsContact C-N 3.31Å; C12-R14 PolarHBondContact O-N 3.2Å
13	A	43.8	Very low	44.2	Very low	103 Å²	103	137.5 Å²	137.5	85%	0.851	77%	0.774	S	S	*	*			trans	-53.5	103.6	162.5	0	0	0	0	0	106.5	P11 A15	P11-A13 PolarHBondContact O-N 3.01Å; P11-A13 VanDerWaalsContact O-N 3.11Å; A13-A15 PolarHBondContact O-N 3.32Å
14	R	39.9	Very low	45	Very low	236 Å²	236	141.2 Å²	141.2	89%	0.891	78%	0.776	S	S	*	*			trans	-66.3	122.1	169.9	-85.6	-177.8	173.4	178.3	-1.6	106.1	C12	C12-R14 VanDerWaalsContact C-N 3.31Å; C12-R14 PolarHBondContact O-N 3.2Å
15	A	41.3	Very low	45.1	Very low	88 Å²	88	139.4 Å²	139.4	73%	0.727	77%	0.766	S	S	*	*			trans	-41.5	143.3	163.6	0	0	0	0	0	110.6	A13	A13-A15 PolarHBondContact O-N 3.32Å
16	S	45.1	Very low	45.5	Very low	114 Å²	114	139 Å²	139	80%	0.797	77%	0.765	S	S	*	*			trans	-44.7	123.6	169.7	-71.1	0	0	0	0	110.1	A18	S16-A18 PolarHBondContact O-N 3.02Å
17	P	45.8	Very low	46.1	Very low	107 Å²	107	133.7 Å²	133.7	70%	0.695	76%	0.762	S	S	*	*			trans	-71.8	106.3	168.7	28.4	-27.5	0	0	0	107.2	G19	P17-G19 PolarHBondContact O-N 3.1Å
18	A	50	Low	47.3	Very low	104 Å²	104	130.2 Å²	130.2	86%	0.86	75%	0.746	S	S	*	*	S	Bend	trans	-54.7	121.7	156.7	0	0	0	0	0	107.9	S16	S16-A18 PolarHBondContact O-N 3.02Å
19	G	48.8	Very low	48.6	Very low	64 Å²	64	127 Å²	127	66%	0.66	74%	0.74	S	S	*	*	S	Bend	trans	83.1	83.9	-179.1	0	0	0	0	0	113.5	P17 R21	P17-G19 PolarHBondContact O-N 3.1Å; G19-R21 VanDerWaalsContact C-N 3.33Å; G19-R21 PolarHBondContact O-N 3.21Å
20	L	50.5	Low	50.7	Low	166 Å²	166	122.5 Å²	122.5	87%	0.869	72%	0.722	S	S	*	*			trans	-55	103.3	153.8	-85.9	151.5	0	0	0	106.6	A22	L20-A22 PolarHBondContact O-N 3.22Å
21	R	54.6	Low	53.2	Low	237 Å²	237	114.5 Å²	114.5	89%	0.894	69%	0.694	S	S	*	*			trans	-54.1	117.6	158.1	-84.2	-177	174.9	-178.7	-1.9	104.8	G19 Y23	G19-R21 VanDerWaalsContact C-N 3.33Å; G19-R21 PolarHBondContact O-N 3.21Å; R21-Y23 PolarHBondContact O-N 2.72Å
22	A	49.8	Very low	55.4	Low	91 Å²	91	110 Å²	110	75%	0.752	67%	0.67	S	S	*	*			trans	-62.8	86.6	167.4	0	0	0	0	0	106.8	L20 H24	L20-A22 PolarHBondContact O-N 3.22Å; A22-H24 PolarHBondContact O-N 2.85Å
23	Y	50.7	Low	57.7	Low	177 Å²	177	108.3 Å²	108.3	69%	0.694	66%	0.656	S	S	*	*			trans	-69.8	110.1	160	-177	-116.6	0	0	0	103.8	R21 G25 D26	R21-Y23 PolarHBondContact O-N 2.72Å; Y23-G25 PolarHBondContact O-N 3.04Å; Y23-D26 PolarHBondContact OH-OD2 2.94Å
24	H	57.1	Low	59.9	Low	163 Å²	163	111.3 Å²	111.3	76%	0.755	65%	0.653	S	S	*	*			trans	-60.6	93.8	158.6	-78.7	-72.9	0	0	0	104.7	A22 D26	A22-H24 PolarHBondContact O-N 2.85Å; H24-D26 PolarHBondContact O-N 2.99Å
25	G	46.4	Very low	62.3	Low	50 Å²	50	101.1 Å²	101.1	52%	0.515	62%	0.617	S	S	.	*			trans	-52.6	115.2	171.8	0	0	0	0	0	106.1	Y23 S27	Y23-G25 PolarHBondContact O-N 3.04Å; G25-S27 PolarHBondContact O-N 3.15Å
26	D	51.3	Low	64.7	Low	123 Å²	123	102.2 Å²	102.2	66%	0.658	61%	0.611	S	S	*	*			trans	-59.4	89.4	-179.2	-69.8	-51.7	0	0	0	107.7	Y23 H24 V28	Y23-D26 PolarHBondContact OH-OD2 2.94Å; H24-D26 PolarHBondContact O-N 2.99Å; D26-V28 PolarHBondContact O-N 3.46Å
27	S	55.3	Low	66.9	Low	110 Å²	110	100.3 Å²	100.3	77%	0.769	59%	0.594	S	S	*	*			trans	-66.2	91.6	155.8	57.5	0	0	0	0	104	G25 A29	G25-S27 PolarHBondContact O-N 3.15Å; S27-A29 PolarHBondContact O-N 3.38Å
28	V	64.4	Low	69.2	Low	57 Å²	57	98.1 Å²	98.1	35%	0.345	59%	0.591	S	S	.	*			trans	-44.7	120.1	169.2	175.6	0	0	0	0	106.2	D26 S30 R343 T345	D26-V28 PolarHBondContact O-N 3.46Å; V28-S30 PolarHBondContact O-N 2.97Å; V28-R343 HydrophobicContact CB-CB 4.39Å; V28-R343 HydrophobicContact CG1-CB 3.94Å; V28-T345 WeakPolarHBondContact CG1-OG1 3.49Å
29	A	73.5	Confident	71.4	Confident	70 Å²	70	94.8 Å²	94.8	58%	0.579	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-56.8	126.7	-172	0	0	0	0	0	109.4	S27 L31	S27-A29 PolarHBondContact O-N 3.38Å; A29-L31 PolarHBondContact O-N 3.48Å
30	S	83.1	Confident	73.7	Confident	74 Å²	74	95.9 Å²	95.9	52%	0.517	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-67.6	125.7	166.9	50.6	0	0	0	0	108.3	V28 S342	V28-S30 PolarHBondContact O-N 2.97Å; S30-S342 CarbonylContact C-O 3.48Å; S30-S342 WeakPolarHBondContact CA-O 3.45Å
31	L	89.5	Confident	75.8	Confident	31 Å²	31	92.4 Å²	92.4	16%	0.162	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-80.6	166.1	168.2	-73.2	-174.8	0	0	0	111	A29 F312 R332 I335 A336 S342 F344	A29-L31 PolarHBondContact O-N 3.48Å; L31-F312 VanDerWaalsContact O-CE2 3.3Å; L31-F312 WeakPolarHBondContact O-CE2 3.39Å; L31-R332 HydrophobicContact CD1-CB 4.09Å; L31-R332 HydrophobicContact CD1-CG 4.24Å; L31-I335 HydrophobicContact CD1-CB 4.5Å; L31-I335 HydrophobicContact CD1-CG2 4.14Å; L31-A336 HydrophobicContact CB-CB 4.02Å; L31-S342 PolarHBondContact N-O 2.59Å; L31-S342 WeakPolarHBondContact O-CB 3.05Å; L31-F344 HydrophobicContact CD1-CB 3.32Å; L31-F344 HydrophobicContact CD1-CD1 3.46Å; L31-F344 VanDerWaalsContact CD1-CD1 3.46Å; L31-F344 HydrophobicContact CD1-CE1 4.35Å; L31-F344 HydrophobicContact CD1-CG 3.6Å; L31-F344 HydrophobicContact CG-CB 3.71Å; L31-F344 HydrophobicContact CG-CD1 4.3Å; L31-F344 HydrophobicContact CG-CG 4.42Å
32	G	82.4	Confident	77.8	Confident	27 Å²	27	82 Å²	82	28%	0.278	51%	0.506	S	S	.	.			trans	103.2	149.2	167.7	0	0	0	0	0	112.3	F312	G32-F312 WeakPolarHBondContact O-CZ 3.28Å
33	T	88.5	Confident	80.1	Confident	83 Å²	83	81.8 Å²	81.8	51%	0.509	49%	0.49	S	S	.	.			trans	-119	155.2	173.6	58.1	0	0	0	0	109.6	P35 E333 R337	T33-P35 WeakPolarHBondContact O-CD 3.49Å; T33-E333 PolarHBondContact N-OE1 3.33Å; T33-E333 VanDerWaalsContact N-OE1 3.09Å; T33-E333 PolarHBondContact N-OE2 3.06Å; T33-E333 VanDerWaalsContact N-OE2 3.1Å; T33-E333 PolarHBondContact OG1-OE1 2.91Å; T33-R337 PolarHBondContact O-NH2 2.65Å
34	Q	90.6	Very high	82.3	Confident	166 Å²	166	77 Å²	77	78%	0.776	47%	0.474	S	S	*	.			trans	-76.5	115.6	168	-163.1	168.6	20.8	0	0	107.4	F312	Q34-F312 HydrophobicContact CB-CE1 4.49Å
35	P	89.6	Confident	84.3	Confident	22 Å²	22	69.6 Å²	69.6	14%	0.143	44%	0.44	C	S	.	.			trans	-68.3	148	-176.6	27.9	-32.8	0	0	0	109.9	T33 V37 Y42 E316	T33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-V37 VanDerWaalsContact C-N 3.26Å; P35-V37 HydrophobicContact CG-CG1 4.28Å; P35-V37 PolarHBondContact O-N 3.21Å; P35-Y42 HydrophobicContact CB-CD2 3.79Å; P35-Y42 HydrophobicContact CB-CE2 3.64Å; P35-Y42 HydrophobicContact CG-CD2 4.31Å; P35-Y42 HydrophobicContact CG-CE2 3.65Å; P35-E316 WeakPolarHBondContact CD-OE2 3.37Å; P35-E316 HydrophobicContact CG-CB 4.46Å; P35-E316 HydrophobicContact CG-CG 4.27Å
36	D	92	Very high	86.7	Confident	111 Å²	111	69.2 Å²	69.2	59%	0.594	42%	0.423	S	S	*	.			trans	-71.8	88	168.5	179.7	8.2	0	0	0	109.2	G38 S39 Y42	D36-G38 PolarHBondContact O-N 3.44Å; D36-G38 WeakPolarHBondContact OD1-CA 3.49Å; D36-G38 PolarHBondContact OD1-N 3.33Å; D36-S39 VanDerWaalsContact O-CB 3.3Å; D36-S39 WeakPolarHBondContact O-CB 3.3Å; D36-S39 PolarHBondContact O-N 2.87Å; D36-S39 PolarHBondContact O-OG 3.12Å; D36-S39 PolarHBondContact OD1-N 2.76Å; D36-Y42 WeakPolarHBondContact O-CB 3.49Å
37	V	91.8	Very high	88.9	Confident	74 Å²	74	68.3 Å²	68.3	45%	0.448	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.3	178.7	-59.8	0	0	0	0	112.3	P35 S39 Y42 Q43	P35-V37 VanDerWaalsContact C-N 3.26Å; P35-V37 HydrophobicContact CG-CG1 4.28Å; P35-V37 PolarHBondContact O-N 3.21Å; V37-S39 VanDerWaalsContact C-N 3.34Å; V37-Y42 HydrophobicContact CB-CD1 4.2Å; V37-Y42 HydrophobicContact CB-CE1 4.07Å; V37-Y42 HydrophobicContact CG1-CD1 4.36Å; V37-Y42 HydrophobicContact CG1-CE1 3.86Å; V37-Q43 WeakPolarHBondContact O-CG 3.37Å; V37-Q43 PolarHBondContact O-NE2 2.94Å
38	G	92.7	Very high	91	Very high	61 Å²	61	66.3 Å²	66.3	63%	0.629	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-14.6	175.4	0	0	0	0	0	113.5	D36	D36-G38 PolarHBondContact O-N 3.44Å; D36-G38 WeakPolarHBondContact OD1-CA 3.49Å; D36-G38 PolarHBondContact OD1-N 3.33Å
39	S	96.7	Very high	92.6	Very high	34 Å²	34	63.6 Å²	63.6	24%	0.238	38%	0.377	C	S	.	.	S	Bend	trans	-66.1	139.7	-178.9	72.8	0	0	0	0	111.6	D36 V37 L41 Y42 Q43	D36-S39 VanDerWaalsContact O-CB 3.3Å; D36-S39 WeakPolarHBondContact O-CB 3.3Å; D36-S39 PolarHBondContact O-N 2.87Å; D36-S39 PolarHBondContact O-OG 3.12Å; D36-S39 PolarHBondContact OD1-N 2.76Å; V37-S39 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 2.99Å; S39-Y42 PolarHBondContact O-N 3.42Å; S39-Y42 WeakPolarHBondContact OG-CB 3.3Å; S39-Y42 PolarHBondContact OG-N 3.46Å; S39-Q43 WeakPolarHBondContact O-CG 3.41Å; S39-Q43 PolarHBondContact O-N 2.84Å; S39-Q43 VanDerWaalsContact O-N 3.1Å
40	A	96.4	Very high	93.8	Very high	86 Å²	86	64 Å²	64	71%	0.711	37%	0.366	S	S	*	.	H	α-helix	trans	-58.2	-35	178.1	0	0	0	0	0	112.3	E44	A40-E44 WeakPolarHBondContact O-CB 3.47Å; A40-E44 PolarHBondContact O-N 3.3Å
41	L	95.1	Very high	94.5	Very high	94 Å²	94	62.6 Å²	62.6	49%	0.492	36%	0.359	S	S	.	.	H	α-helix	trans	-64.6	-48	177.9	176.6	61.2	0	0	0	112	S39 E44 N45 R327	S39-L41 PolarHBondContact O-N 2.99Å; L41-E44 PolarHBondContact O-N 3.47Å; L41-N45 WeakPolarHBondContact O-CB 3.27Å; L41-N45 PolarHBondContact O-N 2.72Å; L41-R327 VanDerWaalsContact CD1-NH1 3.31Å
42	Y	96.9	Very high	95	Very high	18 Å²	18	62.9 Å²	62.9	7%	0.071	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-46.1	179.2	-178.6	-85	0	0	0	111	P35 D36 V37 S39 E44 N45 Y46 E316	P35-Y42 HydrophobicContact CB-CD2 3.79Å; P35-Y42 HydrophobicContact CB-CE2 3.64Å; P35-Y42 HydrophobicContact CG-CD2 4.31Å; P35-Y42 HydrophobicContact CG-CE2 3.65Å; D36-Y42 WeakPolarHBondContact O-CB 3.49Å; V37-Y42 HydrophobicContact CB-CD1 4.2Å; V37-Y42 HydrophobicContact CB-CE1 4.07Å; V37-Y42 HydrophobicContact CG1-CD1 4.36Å; V37-Y42 HydrophobicContact CG1-CE1 3.86Å; S39-Y42 PolarHBondContact O-N 3.42Å; S39-Y42 WeakPolarHBondContact OG-CB 3.3Å; S39-Y42 PolarHBondContact OG-N 3.46Å; Y42-E44 PolarHBondContact O-N 3.25Å; Y42-N45 PolarHBondContact O-N 3.05Å; Y42-Y46 HydrophobicContact CE1-CD2 4.03Å; Y42-Y46 HydrophobicContact CE1-CG 4.42Å; Y42-Y46 VanDerWaalsContact O-CB 3.25Å; Y42-Y46 WeakPolarHBondContact O-CB 3.42Å; Y42-Y46 PolarHBondContact O-N 3.46Å; Y42-E316 WeakPolarHBondContact OH-CA 3.21Å
43	Q	97.8	Very high	95.7	Very high	86 Å²	86	61.8 Å²	61.8	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-44	178.8	-71.6	-66.4	-30.8	0	0	112	V37 S39 Y46 E47	V37-Q43 WeakPolarHBondContact O-CG 3.37Å; V37-Q43 PolarHBondContact O-NE2 2.94Å; S39-Q43 WeakPolarHBondContact O-CG 3.41Å; S39-Q43 PolarHBondContact O-N 2.84Å; S39-Q43 VanDerWaalsContact O-N 3.1Å; Q43-Y46 PolarHBondContact O-N 3.47Å; Q43-E47 WeakPolarHBondContact O-CB 3.43Å; Q43-E47 WeakPolarHBondContact O-CG 3.25Å; Q43-E47 PolarHBondContact O-N 3.49Å
44	E	97.6	Very high	96.2	Very high	76 Å²	76	62.2 Å²	62.2	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-48.3	175.8	-173.1	-166.4	171.4	0	0	111.8	A40 L41 Y42 Y46 Q48 R327	A40-E44 WeakPolarHBondContact O-CB 3.47Å; A40-E44 PolarHBondContact O-N 3.3Å; L41-E44 PolarHBondContact O-N 3.47Å; Y42-E44 PolarHBondContact O-N 3.25Å; E44-Y46 VanDerWaalsContact C-N 3.34Å; E44-Y46 PolarHBondContact O-N 2.99Å; E44-Q48 WeakPolarHBondContact O-CB 3.21Å; E44-Q48 VanDerWaalsContact O-CG 3.27Å; E44-Q48 WeakPolarHBondContact O-CG 3.41Å; E44-Q48 PolarHBondContact O-N 2.63Å; E44-Q48 PolarHBondContact OE1-NE2 3.01Å; E44-R327 VanDerWaalsContact CD-NH1 3.28Å; E44-R327 VanDerWaalsContact CD-NH2 3.3Å; E44-R327 IonicContact OE1-CZ 3.03Å; E44-R327 IonicContact OE1-NH1 2.95Å; E44-R327 IonicContact OE1-NH2 3.23Å; E44-R327 PolarHBondContact OE1-NH2 3.44Å; E44-R327 VanDerWaalsContact OE1-NH2 3.15Å; E44-R327 IonicContact OE2-CZ 3.12Å; E44-R327 VanDerWaalsContact OE2-CZ 3.25Å; E44-R327 IonicContact OE2-NH1 2.76Å; E44-R327 PolarHBondContact OE2-NH1 3.47Å; E44-R327 IonicContact OE2-NH2 3.39Å; E44-R327 PolarHBondContact OE2-NH2 3Å
45	N	97.9	Very high	96.6	Very high	9 Å²	9	58 Å²	58	5%	0.048	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-45.3	178.5	-78.3	-6.1	0	0	0	111.4	L41 Y42 Q48 M49 Y318 G319 R327	L41-N45 WeakPolarHBondContact O-CB 3.27Å; L41-N45 PolarHBondContact O-N 2.72Å; Y42-N45 PolarHBondContact O-N 3.05Å; N45-Q48 PolarHBondContact O-N 3.13Å; N45-M49 WeakPolarHBondContact O-CB 3.4Å; N45-M49 PolarHBondContact O-N 3.26Å; N45-Y318 CarbonylContact C-O 3.53Å; N45-G319 WeakPolarHBondContact CB-O 3.21Å; N45-G319 PolarHBondContact ND2-O 3.16Å; N45-R327 PolarHBondContact OD1-NH1 3.38Å
46	Y	98.2	Very high	97	Very high	42 Å²	42	57.2 Å²	57.2	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-51.4	-178.6	-173.1	-83.4	0	0	0	110.9	Y42 Q43 E44 Q48 M49 K50 Y318	Y42-Y46 HydrophobicContact CE1-CD2 4.03Å; Y42-Y46 HydrophobicContact CE1-CG 4.42Å; Y42-Y46 VanDerWaalsContact O-CB 3.25Å; Y42-Y46 WeakPolarHBondContact O-CB 3.42Å; Y42-Y46 PolarHBondContact O-N 3.46Å; Q43-Y46 PolarHBondContact O-N 3.47Å; E44-Y46 VanDerWaalsContact C-N 3.34Å; E44-Y46 PolarHBondContact O-N 2.99Å; Y46-Q48 PolarHBondContact O-N 2.98Å; Y46-M49 PolarHBondContact O-N 3.05Å; Y46-K50 HydrophobicContact CD1-CD 4.3Å; Y46-K50 HydrophobicContact CE1-CD 3.67Å; Y46-K50 WeakPolarHBondContact O-CB 3.21Å; Y46-K50 PolarHBondContact O-N 3.32Å; Y46-Y318 HydrophobicContact CD2-CD2 4.21Å; Y46-Y318 HydrophobicContact CD2-CG 4.45Å; Y46-Y318 AromaticContact CE2-CD2 3.7Å; Y46-Y318 HydrophobicContact CE2-CD2 3.7Å; Y46-Y318 HydrophobicContact CE2-CG 4.34Å; Y46-Y318 AromaticContact CZ-CD2 3.95Å
47	E	98.1	Very high	97.3	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-41.3	-180	-72.4	-58.3	147	0	0	112.4	Q43 K50 A51	Q43-E47 WeakPolarHBondContact O-CB 3.43Å; Q43-E47 WeakPolarHBondContact O-CG 3.25Å; Q43-E47 PolarHBondContact O-N 3.49Å; E47-K50 PolarHBondContact O-N 3.02Å; E47-A51 WeakPolarHBondContact O-CB 3.45Å; E47-A51 PolarHBondContact O-N 2.74Å
48	Q	98	Very high	97.6	Very high	68 Å²	68	59.9 Å²	59.9	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-45.5	177.6	-71.7	175.5	6.2	0	0	112.2	E44 N45 Y46 A51 L52 A323	E44-Q48 WeakPolarHBondContact O-CB 3.21Å; E44-Q48 VanDerWaalsContact O-CG 3.27Å; E44-Q48 WeakPolarHBondContact O-CG 3.41Å; E44-Q48 PolarHBondContact O-N 2.63Å; E44-Q48 PolarHBondContact OE1-NE2 3.01Å; N45-Q48 PolarHBondContact O-N 3.13Å; Y46-Q48 PolarHBondContact O-N 2.98Å; Q48-A51 PolarHBondContact O-N 3.09Å; Q48-L52 WeakPolarHBondContact O-CG 3.46Å; Q48-L52 PolarHBondContact O-N 3.17Å; Q48-A323 HydrophobicContact CB-CB 3.75Å
49	M	98.5	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-44.1	177.1	-177.4	67.3	84	0	0	110.9	N45 Y46 A51 L52 V53 Y318 V321 G322 W465 P466 N467 P534	N45-M49 WeakPolarHBondContact O-CB 3.4Å; N45-M49 PolarHBondContact O-N 3.26Å; Y46-M49 PolarHBondContact O-N 3.05Å; M49-A51 VanDerWaalsContact C-N 3.27Å; M49-A51 PolarHBondContact O-N 3.13Å; M49-L52 WeakPolarHBondContact O-CA 3.18Å; M49-L52 WeakPolarHBondContact O-CB 3.1Å; M49-L52 PolarHBondContact O-N 3.35Å; M49-V53 HydrophobicContact CG-CG2 4.4Å; M49-V53 WeakPolarHBondContact O-CG2 3.28Å; M49-V53 PolarHBondContact O-N 3.01Å; M49-Y318 HydrophobicContact CB-CG 4.47Å; M49-Y318 HydrophobicContact CG-CD1 3.65Å; M49-Y318 HydrophobicContact CG-CE1 4.47Å; M49-Y318 HydrophobicContact CG-CG 4.08Å; M49-V321 HydrophobicContact CE-CB 4.5Å; M49-V321 HydrophobicContact CE-CG1 4.39Å; M49-G322 WeakPolarHBondContact CE-O 3.46Å; M49-W465 HydrophobicContact CE-CE3 4.46Å; M49-P466 HydrophobicContact SD-CG 4.1Å; M49-N467 HydrophobicContact CE-CB 3.84Å; M49-N467 HydrophobicContact SD-CB 4.1Å; M49-P534 HydrophobicContact CE-CG 4.15Å; M49-P534 HydrophobicContact CG-CG 4.33Å; M49-P534 HydrophobicContact SD-CG 3.96Å
50	K	98.4	Very high	98	Very high	77 Å²	77	59.3 Å²	59.3	34%	0.335	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-38.4	177.4	-174.4	172.1	-178.7	177.8	0	112	Y46 E47 L52 V53 N54	Y46-K50 HydrophobicContact CD1-CD 4.3Å; Y46-K50 HydrophobicContact CE1-CD 3.67Å; Y46-K50 WeakPolarHBondContact O-CB 3.21Å; Y46-K50 PolarHBondContact O-N 3.32Å; E47-K50 PolarHBondContact O-N 3.02Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.92Å; K50-V53 PolarHBondContact O-N 2.72Å; K50-N54 WeakPolarHBondContact O-CB 3.49Å; K50-N54 PolarHBondContact O-N 3.17Å; K50-N54 PolarHBondContact O-ND2 3.42Å
51	A	98.6	Very high	98	Very high	46 Å²	46	57 Å²	57	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-42.3	172.5	0	0	0	0	0	112.2	E47 Q48 M49 N54 Q55	E47-A51 WeakPolarHBondContact O-CB 3.45Å; E47-A51 PolarHBondContact O-N 2.74Å; Q48-A51 PolarHBondContact O-N 3.09Å; M49-A51 VanDerWaalsContact C-N 3.27Å; M49-A51 PolarHBondContact O-N 3.13Å; A51-N54 PolarHBondContact O-N 3.16Å; A51-Q55 WeakPolarHBondContact O-CG 3.47Å; A51-Q55 PolarHBondContact O-N 3.39Å
52	L	98.6	Very high	98.1	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.194	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-39	175.9	-65.2	177.8	0	0	0	112.6	Q48 M49 K50 Q55 L56 A323 P466 N467	Q48-L52 WeakPolarHBondContact O-CG 3.46Å; Q48-L52 PolarHBondContact O-N 3.17Å; M49-L52 WeakPolarHBondContact O-CA 3.18Å; M49-L52 WeakPolarHBondContact O-CB 3.1Å; M49-L52 PolarHBondContact O-N 3.35Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.92Å; L52-Q55 PolarHBondContact O-N 3.34Å; L52-L56 PolarHBondContact O-N 3.33Å; L52-A323 HydrophobicContact CD1-CB 3.75Å; L52-P466 HydrophobicContact CB-CB 4.08Å; L52-P466 HydrophobicContact CB-CG 4.28Å; L52-N467 HydrophobicContact CD1-CB 3.96Å
53	V	98.6	Very high	98.1	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-42.7	174.4	167.8	0	0	0	0	111.2	M49 K50 Q55 L56 H57 Y318 P466 D533	M49-V53 HydrophobicContact CG-CG2 4.4Å; M49-V53 WeakPolarHBondContact O-CG2 3.28Å; M49-V53 PolarHBondContact O-N 3.01Å; K50-V53 PolarHBondContact O-N 2.72Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.47Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 2.97Å; V53-L56 VanDerWaalsContact O-N 3.14Å; V53-H57 VanDerWaalsContact CG1-CE1 3.43Å; V53-H57 WeakPolarHBondContact CG1-CE1 3.44Å; V53-H57 PolarHBondContact O-N 2.89Å; V53-Y318 HydrophobicContact CG2-CE1 4.09Å; V53-P466 HydrophobicContact CG2-CG 4.23Å; V53-D533 WeakPolarHBondContact CG1-OD2 3.46Å
54	N	98.6	Very high	98	Very high	91 Å²	91	57.8 Å²	57.8	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-42.1	175.6	-72	-21.1	0	0	0	111.4	K50 A51 L56 H57 E58	K50-N54 WeakPolarHBondContact O-CB 3.49Å; K50-N54 PolarHBondContact O-N 3.17Å; K50-N54 PolarHBondContact O-ND2 3.42Å; A51-N54 PolarHBondContact O-N 3.16Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 3.36Å; N54-H57 PolarHBondContact O-N 3.02Å; N54-E58 WeakPolarHBondContact O-CB 3.42Å; N54-E58 PolarHBondContact O-N 2.85Å
55	Q	98.4	Very high	98	Very high	79 Å²	79	57 Å²	57	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-39.1	173.9	-71.4	175	12	0	0	112.3	A51 L52 V53 R59	A51-Q55 WeakPolarHBondContact O-CG 3.47Å; A51-Q55 PolarHBondContact O-N 3.39Å; L52-Q55 PolarHBondContact O-N 3.34Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.47Å; Q55-R59 WeakPolarHBondContact O-CB 3.43Å; Q55-R59 VanDerWaalsContact O-CG 3.23Å; Q55-R59 WeakPolarHBondContact O-CG 3.36Å; Q55-R59 PolarHBondContact O-N 3.22Å
56	L	98.6	Very high	97.9	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-50.8	174.4	172	63.5	0	0	0	110.4	L52 V53 N54 E58 R59 V60 F103 Y520 I531	L52-L56 PolarHBondContact O-N 3.33Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 2.97Å; V53-L56 VanDerWaalsContact O-N 3.14Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 3.36Å; L56-E58 PolarHBondContact O-N 3.09Å; L56-R59 PolarHBondContact O-N 3.32Å; L56-V60 HydrophobicContact CD1-CG2 4.04Å; L56-V60 WeakPolarHBondContact O-CB 3.38Å; L56-V60 VanDerWaalsContact O-CG2 3.3Å; L56-V60 WeakPolarHBondContact O-CG2 3.18Å; L56-V60 PolarHBondContact O-N 2.86Å; L56-F103 HydrophobicContact CD1-CE2 3.45Å; L56-F103 VanDerWaalsContact CD1-CE2 3.45Å; L56-F103 HydrophobicContact CD1-CZ 3.73Å; L56-Y520 WeakPolarHBondContact CA-OH 3.33Å; L56-Y520 HydrophobicContact CD1-CE1 4.35Å; L56-Y520 PolarHBondContact N-OH 3.49Å; L56-I531 HydrophobicContact CD1-CB 3.93Å; L56-I531 HydrophobicContact CD1-CG2 3.9Å; L56-I531 HydrophobicContact CD2-CG2 4.01Å
57	H	98.4	Very high	97.8	Very high	94 Å²	94	56.5 Å²	56.5	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-42.5	179.5	-68.6	154.9	0	0	0	113.1	V53 N54 V60 G61 D533	V53-H57 VanDerWaalsContact CG1-CE1 3.43Å; V53-H57 WeakPolarHBondContact CG1-CE1 3.44Å; V53-H57 PolarHBondContact O-N 2.89Å; N54-H57 PolarHBondContact O-N 3.02Å; H57-V60 PolarHBondContact O-N 3.41Å; H57-G61 PolarHBondContact O-N 2.94Å; H57-D533 IonicContact CE1-OD2 3.33Å; H57-D533 IonicContact NE2-OD2 3.08Å
58	E	98.3	Very high	97.7	Very high	146 Å²	146	52.8 Å²	52.8	68%	0.682	28%	0.283	S	S	*	.	H	α-helix	trans	-59.7	-49.2	176	-175.7	-175.2	176.1	0	0	111.4	N54 L56 G61 H62	N54-E58 WeakPolarHBondContact O-CB 3.42Å; N54-E58 PolarHBondContact O-N 2.85Å; L56-E58 PolarHBondContact O-N 3.09Å; E58-G61 WeakPolarHBondContact O-CA 3.43Å; E58-G61 PolarHBondContact O-N 3.39Å; E58-G61 VanDerWaalsContact O-N 3.13Å; E58-H62 PolarHBondContact O-N 3.04Å
59	R	98.2	Very high	97.6	Very high	69 Å²	69	56.7 Å²	56.7	26%	0.26	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-39	-179.3	-66.9	171.4	-171.7	-161.3	4.4	112.4	Q55 L56 G61 H62 I63 F103 Y520	Q55-R59 WeakPolarHBondContact O-CB 3.43Å; Q55-R59 VanDerWaalsContact O-CG 3.23Å; Q55-R59 WeakPolarHBondContact O-CG 3.36Å; Q55-R59 PolarHBondContact O-N 3.22Å; L56-R59 PolarHBondContact O-N 3.32Å; R59-G61 VanDerWaalsContact C-N 3.29Å; R59-G61 PolarHBondContact O-N 3.03Å; R59-H62 PolarHBondContact O-N 2.69Å; R59-I63 WeakPolarHBondContact O-CG1 3.15Å; R59-I63 PolarHBondContact O-N 3.23Å; R59-F103 HydrophobicContact CB-CE1 3.69Å; R59-F103 HydrophobicContact CB-CZ 3.83Å; R59-Y520 VanDerWaalsContact NH1-CG 3.27Å
60	V	98	Very high	97.6	Very high	14 Å²	14	65.7 Å²	65.7	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-40.6	171.8	168.7	0	0	0	0	110.3	L56 H57 H62 I63 K64 F103	L56-V60 HydrophobicContact CD1-CG2 4.04Å; L56-V60 WeakPolarHBondContact O-CB 3.38Å; L56-V60 VanDerWaalsContact O-CG2 3.3Å; L56-V60 WeakPolarHBondContact O-CG2 3.18Å; L56-V60 PolarHBondContact O-N 2.86Å; H57-V60 PolarHBondContact O-N 3.41Å; V60-H62 VanDerWaalsContact C-N 3.31Å; V60-H62 PolarHBondContact O-N 2.81Å; V60-I63 PolarHBondContact O-N 3.42Å; V60-K64 HydrophobicContact CG1-CD 4.13Å; V60-K64 HydrophobicContact CG1-CG 4.37Å; V60-K64 WeakPolarHBondContact O-CB 3.47Å; V60-K64 VanDerWaalsContact O-CG 3.31Å; V60-K64 WeakPolarHBondContact O-CG 3.48Å; V60-K64 PolarHBondContact O-N 3.11Å; V60-F103 HydrophobicContact CG2-CE2 3.69Å; V60-F103 HydrophobicContact CG2-CZ 3.8Å
61	G	97.3	Very high	97.5	Very high	37 Å²	37	63.3 Å²	63.3	38%	0.381	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-44.9	173.6	0	0	0	0	0	112.4	H57 E58 R59 K64	H57-G61 PolarHBondContact O-N 2.94Å; E58-G61 WeakPolarHBondContact O-CA 3.43Å; E58-G61 PolarHBondContact O-N 3.39Å; E58-G61 VanDerWaalsContact O-N 3.13Å; R59-G61 VanDerWaalsContact C-N 3.29Å; R59-G61 PolarHBondContact O-N 3.03Å; G61-K64 PolarHBondContact O-N 3.07Å
62	H	96.7	Very high	97.5	Very high	97 Å²	97	64.6 Å²	64.6	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-46.1	175.1	-174.7	75.9	0	0	0	112.5	E58 R59 V60 K64 L65 E113	E58-H62 PolarHBondContact O-N 3.04Å; R59-H62 PolarHBondContact O-N 2.69Å; V60-H62 VanDerWaalsContact C-N 3.31Å; V60-H62 PolarHBondContact O-N 2.81Å; H62-K64 PolarHBondContact O-N 3.39Å; H62-L65 VanDerWaalsContact O-CB 3.3Å; H62-L65 WeakPolarHBondContact O-CB 3.41Å; H62-L65 PolarHBondContact O-N 2.96Å; H62-E113 IonicContact NE2-OE2 2.69Å
63	I	97.3	Very high	97.4	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.046	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-36.4	177.9	-72.4	164.3	0	0	0	111.8	R59 V60 L65 G66 Q102 F103 P115	R59-I63 WeakPolarHBondContact O-CG1 3.15Å; R59-I63 PolarHBondContact O-N 3.23Å; V60-I63 PolarHBondContact O-N 3.42Å; I63-L65 PolarHBondContact O-N 3.43Å; I63-L65 VanDerWaalsContact O-N 3.16Å; I63-G66 PolarHBondContact O-N 3.3Å; I63-G66 VanDerWaalsContact O-N 3.13Å; I63-Q102 WeakPolarHBondContact CG2-O 3.4Å; I63-F103 HydrophobicContact CD1-CD1 3.46Å; I63-F103 VanDerWaalsContact CD1-CD1 3.46Å; I63-F103 HydrophobicContact CD1-CD2 4.44Å; I63-F103 HydrophobicContact CD1-CE1 3.45Å; I63-F103 VanDerWaalsContact CD1-CE1 3.45Å; I63-F103 HydrophobicContact CD1-CE2 4.41Å; I63-F103 HydrophobicContact CD1-CG 3.97Å; I63-F103 HydrophobicContact CD1-CZ 3.94Å; I63-P115 HydrophobicContact CG2-CB 4.39Å
64	K	96.7	Very high	97.4	Very high	109 Å²	109	69.9 Å²	69.9	47%	0.474	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.4	178.1	-77.5	176.6	175.4	-178.2	0	113.4	V60 G61 H62 G66	V60-K64 HydrophobicContact CG1-CD 4.13Å; V60-K64 HydrophobicContact CG1-CG 4.37Å; V60-K64 WeakPolarHBondContact O-CB 3.47Å; V60-K64 VanDerWaalsContact O-CG 3.31Å; V60-K64 WeakPolarHBondContact O-CG 3.48Å; V60-K64 PolarHBondContact O-N 3.11Å; G61-K64 PolarHBondContact O-N 3.07Å; H62-K64 PolarHBondContact O-N 3.39Å; K64-G66 PolarHBondContact O-N 3.47Å
65	L	96.6	Very high	97.4	Very high	59 Å²	59	65.9 Å²	65.9	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.3	175.5	-59	174.8	0	0	0	113.7	H62 I63 G67 G68 R72	H62-L65 VanDerWaalsContact O-CB 3.3Å; H62-L65 WeakPolarHBondContact O-CB 3.41Å; H62-L65 PolarHBondContact O-N 2.96Å; I63-L65 PolarHBondContact O-N 3.43Å; I63-L65 VanDerWaalsContact O-N 3.16Å; L65-G67 PolarHBondContact O-N 3.02Å; L65-G68 PolarHBondContact O-N 2.98Å; L65-G68 VanDerWaalsContact O-N 3.12Å; L65-R72 WeakPolarHBondContact O-CD 3.3Å
66	G	96.9	Very high	97.4	Very high	7 Å²	7	66.1 Å²	66.1	7%	0.072	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-130.3	179.3	0	0	0	0	0	111.5	I63 K64 G68 P115 D137	I63-G66 PolarHBondContact O-N 3.3Å; I63-G66 VanDerWaalsContact O-N 3.13Å; K64-G66 PolarHBondContact O-N 3.47Å; G66-G68 PolarHBondContact O-N 3.03Å; G66-P115 WeakPolarHBondContact O-CG 3.27Å; G66-D137 WeakPolarHBondContact CA-OD2 3.39Å
67	G	95.9	Very high	97.3	Very high	35 Å²	35	70.1 Å²	70.1	36%	0.361	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	13.7	177.8	0	0	0	0	0	116	L65 A71 T139	L65-G67 PolarHBondContact O-N 3.02Å; G67-A71 WeakPolarHBondContact O-CB 2.98Å; G67-T139 WeakPolarHBondContact CA-O 3.35Å; G67-T139 PolarHBondContact N-OG1 3.42Å
68	G	95.8	Very high	97.2	Very high	25 Å²	25	73.3 Å²	73.3	26%	0.258	39%	0.385	S	S	.	.	H	α-helix	trans	83	171.6	-178.2	0	0	0	0	0	114	L65 G66 K70 A71 R72	L65-G68 PolarHBondContact O-N 2.98Å; L65-G68 VanDerWaalsContact O-N 3.12Å; G66-G68 PolarHBondContact O-N 3.03Å; G68-K70 VanDerWaalsContact C-N 3.35Å; G68-K70 PolarHBondContact O-N 3.36Å; G68-A71 PolarHBondContact O-N 3.36Å; G68-R72 WeakPolarHBondContact O-CG 3.36Å; G68-R72 PolarHBondContact O-N 2.96Å
69	E	96.2	Very high	97.1	Very high	151 Å²	151	69.3 Å²	69.3	71%	0.706	38%	0.383	S	S	*	.	H	α-helix	trans	-59.1	-41.3	-170.2	-64.3	-174.3	163.2	0	0	113.5	A71 R72 A73	E69-A71 PolarHBondContact O-N 3Å; E69-R72 PolarHBondContact O-N 3.08Å; E69-A73 WeakPolarHBondContact O-CB 3.29Å; E69-A73 PolarHBondContact O-N 3.3Å
70	K	96.8	Very high	97.1	Very high	189 Å²	189	67 Å²	67	82%	0.822	37%	0.374	S	S	*	.	H	α-helix	trans	-62.3	-43.8	179.3	-174	-179.9	179.6	-179.3	0	112	G68 L74	G68-K70 VanDerWaalsContact C-N 3.35Å; G68-K70 PolarHBondContact O-N 3.36Å; K70-L74 WeakPolarHBondContact O-CB 3.49Å; K70-L74 PolarHBondContact O-N 3.43Å; K70-L74 VanDerWaalsContact O-N 3.09Å
71	A	97.3	Very high	97.1	Very high	27 Å²	27	67.7 Å²	67.7	22%	0.223	38%	0.378	C	S	.	.	H	α-helix	trans	-70	-39.4	179	0	0	0	0	0	111.4	G67 G68 E69 L74 H75	G67-A71 WeakPolarHBondContact O-CB 2.98Å; G68-A71 PolarHBondContact O-N 3.36Å; E69-A71 PolarHBondContact O-N 3Å; A71-L74 PolarHBondContact O-N 3Å; A71-H75 WeakPolarHBondContact O-CB 3.24Å; A71-H75 PolarHBondContact O-N 3.36Å
72	R	97.9	Very high	97.2	Very high	73 Å²	73	66.5 Å²	66.5	28%	0.275	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-47.7	174.2	-71	176.6	62.4	-162.5	4	112.2	L65 G68 E69 L74 H75 I76 L82 T139	L65-R72 WeakPolarHBondContact O-CD 3.3Å; G68-R72 WeakPolarHBondContact O-CG 3.36Å; G68-R72 PolarHBondContact O-N 2.96Å; E69-R72 PolarHBondContact O-N 3.08Å; R72-L74 VanDerWaalsContact C-N 3.32Å; R72-L74 PolarHBondContact O-N 2.99Å; R72-H75 WeakPolarHBondContact O-CB 3.4Å; R72-H75 PolarHBondContact O-N 3.28Å; R72-H75 VanDerWaalsContact O-N 3.15Å; R72-I76 WeakPolarHBondContact O-CG1 3.42Å; R72-I76 PolarHBondContact O-N 2.95Å; R72-L82 HydrophobicContact CB-CD2 4.05Å; R72-L82 HydrophobicContact CG-CD1 4.42Å; R72-L82 HydrophobicContact CG-CD2 3.92Å; R72-L82 VanDerWaalsContact NE-CD1 3.32Å; R72-T139 HydrophobicContact CG-CG2 4.2Å
73	A	97.9	Very high	97.3	Very high	61 Å²	61	62.1 Å²	62.1	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-41.9	177.5	0	0	0	0	0	111.6	E69 I76 S77	E69-A73 WeakPolarHBondContact O-CB 3.29Å; E69-A73 PolarHBondContact O-N 3.3Å; A73-I76 PolarHBondContact O-N 3.14Å; A73-S77 WeakPolarHBondContact O-CB 3.46Å; A73-S77 PolarHBondContact O-N 2.93Å
74	L	97.7	Very high	97.3	Very high	90 Å²	90	64 Å²	64	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.1	-179.6	62.2	0	0	0	111.9	K70 A71 R72 S77	K70-L74 WeakPolarHBondContact O-CB 3.49Å; K70-L74 PolarHBondContact O-N 3.43Å; K70-L74 VanDerWaalsContact O-N 3.09Å; A71-L74 PolarHBondContact O-N 3Å; R72-L74 VanDerWaalsContact C-N 3.32Å; R72-L74 PolarHBondContact O-N 2.99Å; L74-S77 PolarHBondContact O-N 2.84Å; L74-S77 PolarHBondContact O-OG 3.49Å
75	H	98.1	Very high	97.4	Very high	7 Å²	7	62.2 Å²	62.2	3%	0.032	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-46.4	177	-174.6	92.3	0	0	0	112	A71 R72 S77 R78 K80 L81 L82 T139 D172	A71-H75 WeakPolarHBondContact O-CB 3.24Å; A71-H75 PolarHBondContact O-N 3.36Å; R72-H75 WeakPolarHBondContact O-CB 3.4Å; R72-H75 PolarHBondContact O-N 3.28Å; R72-H75 VanDerWaalsContact O-N 3.15Å; H75-S77 PolarHBondContact O-N 3.28Å; H75-R78 WeakPolarHBondContact O-CB 3.19Å; H75-R78 PolarHBondContact O-N 3.43Å; H75-K80 VanDerWaalsContact CE1-CE 3.45Å; H75-K80 WeakPolarHBondContact CE1-CE 3.47Å; H75-K80 WeakPolarHBondContact NE2-CB 3.39Å; H75-L81 PolarHBondContact NE2-O 3.4Å; H75-L82 HydrophobicContact CB-CD2 4.44Å; H75-T139 HydrophobicContact CB-CG2 3.89Å; H75-D172 IonicContact CE1-OD2 3.66Å
76	I	97.9	Very high	97.5	Very high	85 Å²	85	59.5 Å²	59.5	44%	0.436	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177.7	-66.1	164.5	0	0	0	111.2	R72 A73 R78 G79 L82	R72-I76 WeakPolarHBondContact O-CG1 3.42Å; R72-I76 PolarHBondContact O-N 2.95Å; A73-I76 PolarHBondContact O-N 3.14Å; I76-R78 PolarHBondContact O-N 3.02Å; I76-G79 PolarHBondContact O-N 3.02Å; I76-L82 HydrophobicContact CD1-CD1 4.14Å; I76-L82 HydrophobicContact CD1-CG 4.26Å; I76-L82 HydrophobicContact CG1-CD2 4.33Å; I76-L82 HydrophobicContact CG1-CG 4.2Å
77	S	97.8	Very high	97.6	Very high	89 Å²	89	59.3 Å²	59.3	62%	0.622	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-18.1	178.2	76	0	0	0	0	113.7	A73 L74 H75 G79	A73-S77 WeakPolarHBondContact O-CB 3.46Å; A73-S77 PolarHBondContact O-N 2.93Å; L74-S77 PolarHBondContact O-N 2.84Å; L74-S77 PolarHBondContact O-OG 3.49Å; H75-S77 PolarHBondContact O-N 3.28Å; S77-G79 VanDerWaalsContact C-N 3.3Å
78	R	96.2	Very high	97.7	Very high	161 Å²	161	62.8 Å²	62.8	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.5	174.2	-63.2	169.6	177.1	173.9	-2.8	113.2	H75 I76 K80	H75-R78 WeakPolarHBondContact O-CB 3.19Å; H75-R78 PolarHBondContact O-N 3.43Å; I76-R78 PolarHBondContact O-N 3.02Å; R78-K80 VanDerWaalsContact C-N 3.35Å; R78-K80 HydrophobicContact CB-CD 4.16Å; R78-K80 HydrophobicContact CB-CG 4.2Å
79	G	96.1	Very high	97.8	Very high	62 Å²	62	65.3 Å²	65.3	64%	0.639	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	16.7	-179.3	0	0	0	0	0	114.6	I76 S77	I76-G79 PolarHBondContact O-N 3.02Å; S77-G79 VanDerWaalsContact C-N 3.3Å
80	K	98.2	Very high	97.9	Very high	20 Å²	20	58.1 Å²	58.1	9%	0.087	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-99.7	140.9	-175.7	-57.6	175.7	67	-177.6	0	110.8	H75 R78 D172 M213 Q236	H75-K80 VanDerWaalsContact CE1-CE 3.45Å; H75-K80 WeakPolarHBondContact CE1-CE 3.47Å; H75-K80 WeakPolarHBondContact NE2-CB 3.39Å; R78-K80 VanDerWaalsContact C-N 3.35Å; R78-K80 HydrophobicContact CB-CD 4.16Å; R78-K80 HydrophobicContact CB-CG 4.2Å; K80-D172 WeakPolarHBondContact CE-OD2 3.45Å; K80-D172 IonicContact NZ-OD1 3.56Å; K80-D172 PolarHBondContact NZ-OD1 3.21Å; K80-D172 IonicContact NZ-OD2 3.64Å; K80-D172 PolarHBondContact NZ-OD2 2.71Å; K80-M213 WeakPolarHBondContact CE-O 3.41Å; K80-Q236 HydrophobicContact CD-CG 4.3Å; K80-Q236 HydrophobicContact CG-CG 4.22Å
81	L	98.5	Very high	98	Very high	29 Å²	29	50 Å²	50	15%	0.152	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-70.9	146.2	168.5	-65.9	-179	0	0	0	110.2	H75 E85 R86 D280 L284	H75-L81 PolarHBondContact NE2-O 3.4Å; L81-E85 HydrophobicContact CB-CB 4.4Å; L81-R86 HydrophobicContact CB-CG 3.65Å; L81-R86 HydrophobicContact CD1-CG 4.42Å; L81-R86 PolarHBondContact O-NE 3.37Å; L81-D280 HydrophobicContact CB-CB 4.23Å; L81-D280 WeakPolarHBondContact CB-OD2 3.29Å; L81-D280 HydrophobicContact CD1-CB 3.82Å; L81-D280 HydrophobicContact CG-CB 3.84Å; L81-D280 PolarHBondContact N-OD2 2.91Å; L81-L284 HydrophobicContact CD1-CD1 4.32Å
82	L	98.6	Very high	98.1	Very high	12 Å²	12	50 Å²	50	6%	0.063	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-65.7	152	171.5	-68.2	172.9	0	0	0	110.5	R72 H75 I76 R84 E85 R86 T139	R72-L82 HydrophobicContact CB-CD2 4.05Å; R72-L82 HydrophobicContact CG-CD1 4.42Å; R72-L82 HydrophobicContact CG-CD2 3.92Å; R72-L82 VanDerWaalsContact NE-CD1 3.32Å; H75-L82 HydrophobicContact CB-CD2 4.44Å; I76-L82 HydrophobicContact CD1-CD1 4.14Å; I76-L82 HydrophobicContact CD1-CG 4.26Å; I76-L82 HydrophobicContact CG1-CD2 4.33Å; I76-L82 HydrophobicContact CG1-CG 4.2Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.44Å; L82-E85 HydrophobicContact CB-CB 4.37Å; L82-E85 HydrophobicContact CB-CG 4.03Å; L82-E85 PolarHBondContact N-OE2 3.34Å; L82-E85 WeakPolarHBondContact O-CB 3.41Å; L82-E85 PolarHBondContact O-N 2.94Å; L82-R86 WeakPolarHBondContact O-CG 3.33Å; L82-R86 PolarHBondContact O-N 3.26Å; L82-T139 HydrophobicContact CD2-CG2 4.03Å
83	P	98.2	Very high	98.1	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-41.7	-179.2	-26.7	32.1	0	0	0	114.4	R86 I87 I120 N136 D137	P83-R86 WeakPolarHBondContact O-CB 3.35Å; P83-R86 PolarHBondContact O-N 2.89Å; P83-I87 WeakPolarHBondContact O-CG1 3.36Å; P83-I87 PolarHBondContact O-N 3.16Å; P83-I120 HydrophobicContact CB-CD1 3.79Å; P83-N136 WeakPolarHBondContact CG-O 3.46Å; P83-D137 HydrophobicContact CG-CB 4.02Å
84	R	98.2	Very high	97.9	Very high	49 Å²	49	54 Å²	54	19%	0.185	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-41.7	176.7	-69.3	-177.1	-179.6	-79.9	-1.9	112.2	L82 R86 I87 D88 E99 I120	L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.44Å; R84-R86 VanDerWaalsContact C-N 3.27Å; R84-R86 PolarHBondContact O-N 3.49Å; R84-I87 WeakPolarHBondContact O-CB 3.22Å; R84-I87 PolarHBondContact O-N 2.93Å; R84-I87 VanDerWaalsContact O-N 3.11Å; R84-D88 PolarHBondContact O-N 3.47Å; R84-E99 IonicContact CZ-OE1 3.69Å; R84-E99 IonicContact CZ-OE2 2.9Å; R84-E99 VanDerWaalsContact NH1-CD 3.29Å; R84-E99 IonicContact NH1-OE1 3.67Å; R84-E99 PolarHBondContact NH1-OE1 3.42Å; R84-E99 VanDerWaalsContact NH1-OE1 3.12Å; R84-E99 IonicContact NH1-OE2 2.82Å; R84-E99 PolarHBondContact NH1-OE2 3.09Å; R84-E99 IonicContact NH2-OE1 2.75Å; R84-E99 PolarHBondContact NH2-OE1 3.44Å; R84-E99 IonicContact NH2-OE2 3.59Å; R84-I120 HydrophobicContact CG-CD1 3.45Å; R84-I120 VanDerWaalsContact CG-CD1 3.45Å
85	E	98.4	Very high	97.9	Very high	71 Å²	71	50.8 Å²	50.8	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-37.7	174.6	-63.9	168.7	173.4	0	0	111.2	L81 L82 I87 D88 N89	L81-E85 HydrophobicContact CB-CB 4.4Å; L82-E85 HydrophobicContact CB-CB 4.37Å; L82-E85 HydrophobicContact CB-CG 4.03Å; L82-E85 PolarHBondContact N-OE2 3.34Å; L82-E85 WeakPolarHBondContact O-CB 3.41Å; L82-E85 PolarHBondContact O-N 2.94Å; E85-I87 VanDerWaalsContact C-N 3.34Å; E85-I87 PolarHBondContact O-N 2.95Å; E85-D88 PolarHBondContact O-N 3.07Å; E85-N89 WeakPolarHBondContact O-CB 3.16Å; E85-N89 PolarHBondContact O-N 3.2Å; E85-N89 PolarHBondContact O-ND2 3.03Å
86	R	98.7	Very high	97.8	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-42.5	174.2	-67	169.9	171.7	171.2	-4.8	111.7	L81 L82 P83 R84 L90 L170 D172 M213 D280 L284	L81-R86 HydrophobicContact CB-CG 3.65Å; L81-R86 HydrophobicContact CD1-CG 4.42Å; L81-R86 PolarHBondContact O-NE 3.37Å; L82-R86 WeakPolarHBondContact O-CG 3.33Å; L82-R86 PolarHBondContact O-N 3.26Å; P83-R86 WeakPolarHBondContact O-CB 3.35Å; P83-R86 PolarHBondContact O-N 2.89Å; R84-R86 VanDerWaalsContact C-N 3.27Å; R84-R86 PolarHBondContact O-N 3.49Å; R86-L90 VanDerWaalsContact O-CB 3.24Å; R86-L90 WeakPolarHBondContact O-CB 3.46Å; R86-L90 PolarHBondContact O-N 3.47Å; R86-L170 HydrophobicContact CB-CD1 3.91Å; R86-D172 IonicContact CZ-OD2 2.73Å; R86-D172 IonicContact NH1-OD2 3.5Å; R86-D172 PolarHBondContact NH1-OD2 2.7Å; R86-D172 IonicContact NH2-OD2 3.92Å; R86-D172 PolarHBondContact NH2-OD2 3.15Å; R86-M213 HydrophobicContact CG-CE 3.88Å; R86-M213 HydrophobicContact CG-SD 4.33Å; R86-M213 VanDerWaalsContact CZ-CB 3.5Å; R86-M213 PolarHBondContact NH2-O 2.84Å; R86-M213 VanDerWaalsContact NH2-O 3.13Å; R86-D280 IonicContact CZ-OD2 3.52Å; R86-D280 VanDerWaalsContact CZ-OD2 3.3Å; R86-D280 IonicContact NE-OD2 3.83Å; R86-D280 PolarHBondContact NE-OD2 2.84Å; R86-D280 IonicContact NH2-OD1 2.73Å; R86-D280 IonicContact NH2-OD2 2.64Å; R86-D280 PolarHBondContact NH2-OD2 2.86Å; R86-L284 HydrophobicContact CB-CD1 4.28Å; R86-L284 HydrophobicContact CB-CD2 4.47Å; R86-L284 WeakPolarHBondContact O-CD1 3.32Å
87	I	98.8	Very high	97.8	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-48.8	176	-64.7	167.4	0	0	0	110.3	P83 R84 E85 N89 L90 I91 F97 I120 I133 A135 L170	P83-I87 WeakPolarHBondContact O-CG1 3.36Å; P83-I87 PolarHBondContact O-N 3.16Å; R84-I87 WeakPolarHBondContact O-CB 3.22Å; R84-I87 PolarHBondContact O-N 2.93Å; R84-I87 VanDerWaalsContact O-N 3.11Å; E85-I87 VanDerWaalsContact C-N 3.34Å; E85-I87 PolarHBondContact O-N 2.95Å; I87-N89 VanDerWaalsContact C-N 3.26Å; I87-N89 PolarHBondContact O-N 3.43Å; I87-L90 WeakPolarHBondContact O-CB 3.38Å; I87-L90 PolarHBondContact O-N 2.72Å; I87-I91 HydrophobicContact CG2-CG2 4.22Å; I87-I91 PolarHBondContact O-N 3.14Å; I87-F97 HydrophobicContact CD1-CE1 4.38Å; I87-F97 HydrophobicContact CD1-CZ 4.07Å; I87-F97 HydrophobicContact CG2-CD1 4.36Å; I87-F97 HydrophobicContact CG2-CD2 3.92Å; I87-F97 HydrophobicContact CG2-CE1 4.27Å; I87-F97 HydrophobicContact CG2-CE2 3.83Å; I87-F97 HydrophobicContact CG2-CG 4.19Å; I87-F97 HydrophobicContact CG2-CZ 4Å; I87-I120 HydrophobicContact CD1-CB 3.98Å; I87-I120 HydrophobicContact CD1-CD1 4.39Å; I87-I120 HydrophobicContact CD1-CG2 3.46Å; I87-I120 VanDerWaalsContact CD1-CG2 3.46Å; I87-I133 HydrophobicContact CG1-CG2 4.05Å; I87-A135 HydrophobicContact CD1-CB 4.01Å; I87-A135 HydrophobicContact CG1-CB 4.24Å; I87-L170 HydrophobicContact CG1-CD1 4.3Å
88	D	98.2	Very high	97.9	Very high	108 Å²	108	48.2 Å²	48.2	58%	0.578	28%	0.284	S	S	*	.	H	α-helix	trans	-60.4	-35.6	-179.4	-66.6	-23.8	0	0	0	112.3	R84 E85	R84-D88 PolarHBondContact O-N 3.47Å; E85-D88 PolarHBondContact O-N 3.07Å
89	N	98.4	Very high	98	Very high	79 Å²	79	41.8 Å²	41.8	42%	0.422	26%	0.261	S	S	.	.	H	α-helix	trans	-80.1	-16.8	175.7	-78.6	-96	0	0	0	113.5	E85 I87 L284	E85-N89 WeakPolarHBondContact O-CB 3.16Å; E85-N89 PolarHBondContact O-N 3.2Å; E85-N89 PolarHBondContact O-ND2 3.03Å; I87-N89 VanDerWaalsContact C-N 3.26Å; I87-N89 PolarHBondContact O-N 3.43Å; N89-L284 HydrophobicContact CB-CD1 3.64Å
90	L	98.8	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-86.1	-45.2	179.5	177.8	60.3	0	0	0	112	R86 I87 V126 I133 I168 L170 L284 T287 R288	R86-L90 VanDerWaalsContact O-CB 3.24Å; R86-L90 WeakPolarHBondContact O-CB 3.46Å; R86-L90 PolarHBondContact O-N 3.47Å; I87-L90 WeakPolarHBondContact O-CB 3.38Å; I87-L90 PolarHBondContact O-N 2.72Å; L90-V126 HydrophobicContact CD1-CG1 4.01Å; L90-V126 HydrophobicContact CD1-CG2 4.48Å; L90-V126 HydrophobicContact CD2-CG2 4.43Å; L90-V126 HydrophobicContact CG-CG1 4.4Å; L90-V126 HydrophobicContact CG-CG2 4Å; L90-I133 HydrophobicContact CD2-CD1 4.01Å; L90-I133 HydrophobicContact CD2-CG1 4.25Å; L90-I133 HydrophobicContact CD2-CG2 4.3Å; L90-I168 HydrophobicContact CD2-CD1 4.19Å; L90-I168 HydrophobicContact CD2-CG2 3.95Å; L90-L170 HydrophobicContact CD2-CD1 4.35Å; L90-L170 HydrophobicContact CD2-CD2 4.34Å; L90-L284 HydrophobicContact CB-CD2 4.17Å; L90-L284 HydrophobicContact CD1-CD2 4.34Å; L90-T287 HydrophobicContact CD1-CG2 3.75Å; L90-R288 HydrophobicContact CD1-CG 4.03Å; L90-R288 WeakPolarHBondContact O-CD 3.42Å; L90-R288 PolarHBondContact O-NH1 2.8Å
91	I	98.8	Very high	98.1	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.097	23%	0.228	C	C	.	.	S	Bend	trans	-71.4	160.5	-174.5	66.4	177.5	0	0	0	111.8	I87 F97 R125 I133	I87-I91 HydrophobicContact CG2-CG2 4.22Å; I87-I91 PolarHBondContact O-N 3.14Å; I91-F97 HydrophobicContact CD1-CB 4.17Å; I91-R125 CarbonylContact C-O 3.53Å; I91-R125 VanDerWaalsContact CA-O 3.23Å; I91-R125 WeakPolarHBondContact CA-O 3.3Å; I91-R125 WeakPolarHBondContact CB-O 3.45Å; I91-I133 HydrophobicContact CG2-CD1 3.61Å
92	D	98.7	Very high	98.1	Very high	26 Å²	26	38.3 Å²	38.3	14%	0.139	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.6	139	179.5	-68.7	-28.1	0	0	0	110.8	G94 S95 R125 S127 G128 R288	D92-G94 PolarHBondContact O-N 3.48Å; D92-S95 PolarHBondContact N-OG 3.07Å; D92-S95 VanDerWaalsContact O-CB 3.23Å; D92-S95 WeakPolarHBondContact O-CB 3.47Å; D92-S95 PolarHBondContact O-N 3.3Å; D92-S95 PolarHBondContact O-OG 3.43Å; D92-R125 HydrophobicContact CB-CB 4.39Å; D92-R125 PolarHBondContact N-O 3.39Å; D92-S127 PolarHBondContact OD1-N 3.15Å; D92-S127 PolarHBondContact OD2-N 3.15Å; D92-G128 PolarHBondContact OD2-N 2.97Å; D92-R288 IonicContact OD1-CZ 3.74Å; D92-R288 IonicContact OD1-NH1 3.65Å; D92-R288 PolarHBondContact OD1-NH1 3.08Å; D92-R288 IonicContact OD1-NH2 3.38Å; D92-R288 PolarHBondContact OD1-NH2 2.72Å
93	P	97.8	Very high	98.1	Very high	127 Å²	127	37.8 Å²	37.8	83%	0.825	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	128.3	179	-28	35.2	0	0	0	112.3	S95	P93-S95 PolarHBondContact O-N 2.66Å
94	G	94.9	Very high	98.2	Very high	92 Å²	92	37.6 Å²	37.6	95%	0.948	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.6	-178.4	0	0	0	0	0	114.9	D92	D92-G94 PolarHBondContact O-N 3.48Å
95	S	96.4	Very high	98.1	Very high	22 Å²	22	35.3 Å²	35.3	15%	0.154	22%	0.216	C	C	.	.			trans	-76.9	146.1	173.7	73.8	0	0	0	0	111.4	D92 P93	D92-S95 PolarHBondContact N-OG 3.07Å; D92-S95 VanDerWaalsContact O-CB 3.23Å; D92-S95 WeakPolarHBondContact O-CB 3.47Å; D92-S95 PolarHBondContact O-N 3.3Å; D92-S95 PolarHBondContact O-OG 3.43Å; P93-S95 PolarHBondContact O-N 2.66Å
96	P	96.6	Very high	98.1	Very high	59 Å²	59	34.4 Å²	34.4	38%	0.383	21%	0.21	S	C	.	.			trans	-74	155.1	176.8	29.9	-33.1	0	0	0	111.3	L543	P96-L543 HydrophobicContact CB-CD1 3.96Å; P96-L543 HydrophobicContact CB-CD2 4.23Å; P96-L543 HydrophobicContact CG-CD1 4.18Å; P96-L543 HydrophobicContact CG-CD2 3.52Å
97	F	98.6	Very high	98	Very high	51 Å²	51	41.7 Å²	41.7	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	111.5	168.6	-177.6	-113.6	0	0	0	109.7	I87 I91 E99 I120 I123 I133	I87-F97 HydrophobicContact CD1-CE1 4.38Å; I87-F97 HydrophobicContact CD1-CZ 4.07Å; I87-F97 HydrophobicContact CG2-CD1 4.36Å; I87-F97 HydrophobicContact CG2-CD2 3.92Å; I87-F97 HydrophobicContact CG2-CE1 4.27Å; I87-F97 HydrophobicContact CG2-CE2 3.83Å; I87-F97 HydrophobicContact CG2-CG 4.19Å; I87-F97 HydrophobicContact CG2-CZ 4Å; I91-F97 HydrophobicContact CD1-CB 4.17Å; F97-E99 HydrophobicContact CD1-CB 3.99Å; F97-E99 HydrophobicContact CE1-CB 3.73Å; F97-E99 HydrophobicContact CE1-CG 3.97Å; F97-E99 PolarHBondContact O-N 2.75Å; F97-I120 HydrophobicContact CE1-CG2 4.11Å; F97-I120 HydrophobicContact CZ-CG2 4.24Å; F97-I123 WeakPolarHBondContact CA-O 3.3Å; F97-I133 HydrophobicContact CE2-CB 4.33Å; F97-I133 HydrophobicContact CE2-CD1 4.25Å
98	L	98.8	Very high	97.9	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	88.7	175.5	-177.7	62.4	0	0	0	109	L100 G122 I123 V540 L543	L98-L100 HydrophobicContact CG-CD2 4.49Å; L98-G122 CarbonylContact O-C 3.57Å; L98-G122 WeakPolarHBondContact O-CA 3.14Å; L98-I123 HydrophobicContact CB-CB 4.38Å; L98-I123 PolarHBondContact N-O 2.8Å; L98-I123 PolarHBondContact O-N 3.1Å; L98-V540 HydrophobicContact CD1-CG1 4.14Å; L98-V540 HydrophobicContact CD1-CG2 4.45Å; L98-L543 HydrophobicContact CB-CD1 4.36Å; L98-L543 HydrophobicContact CD2-CB 4.11Å
99	E	98.8	Very high	97.7	Very high	27 Å²	27	39 Å²	39	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	140.1	177.3	-167.7	173.3	176.3	0	0	111.3	R84 F97 Q102 I120	R84-E99 IonicContact CZ-OE1 3.69Å; R84-E99 IonicContact CZ-OE2 2.9Å; R84-E99 VanDerWaalsContact NH1-CD 3.29Å; R84-E99 IonicContact NH1-OE1 3.67Å; R84-E99 PolarHBondContact NH1-OE1 3.42Å; R84-E99 VanDerWaalsContact NH1-OE1 3.12Å; R84-E99 IonicContact NH1-OE2 2.82Å; R84-E99 PolarHBondContact NH1-OE2 3.09Å; R84-E99 IonicContact NH2-OE1 2.75Å; R84-E99 PolarHBondContact NH2-OE1 3.44Å; R84-E99 IonicContact NH2-OE2 3.59Å; F97-E99 HydrophobicContact CD1-CB 3.99Å; F97-E99 HydrophobicContact CE1-CB 3.73Å; F97-E99 HydrophobicContact CE1-CG 3.97Å; F97-E99 PolarHBondContact O-N 2.75Å; E99-Q102 HydrophobicContact CB-CG 4.24Å; E99-Q102 VanDerWaalsContact CD-CG 3.43Å; E99-Q102 HydrophobicContact CG-CG 3.67Å; E99-Q102 PolarHBondContact OE2-NE2 2.96Å; E99-I120 HydrophobicContact CG-CG2 4.32Å
100	L	98.8	Very high	97.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.8	-175.8	-57.6	170.1	0	0	0	111.4	L98 Q102 T121 M132 K152 I159 F461 D529	L98-L100 HydrophobicContact CG-CD2 4.49Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 3.17Å; L100-T121 PolarHBondContact N-O 3.4Å; L100-T121 PolarHBondContact O-OG1 2.68Å; L100-M132 HydrophobicContact CD1-CE 3.82Å; L100-M132 HydrophobicContact CD1-SD 4.37Å; L100-K152 VanDerWaalsContact O-CE 3.23Å; L100-K152 WeakPolarHBondContact O-CE 3.44Å; L100-K152 PolarHBondContact O-NZ 2.84Å; L100-I159 HydrophobicContact CD1-CD1 3.65Å; L100-I159 HydrophobicContact CD2-CD1 4.49Å; L100-F461 HydrophobicContact CD2-CD1 4.34Å; L100-F461 HydrophobicContact CD2-CE1 4.38Å; L100-D529 CarbonylContact C-O 3.52Å; L100-D529 WeakPolarHBondContact CA-O 3.26Å; L100-D529 HydrophobicContact CD2-CB 4.19Å
101	S	98.5	Very high	96.7	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	29%	0.288	C	S	.	.			trans	48	51.6	173.6	-53.4	0	0	0	0	112.7	F103 A104 K152 D528 D529	S101-F103 PolarHBondContact O-N 3.1Å; S101-A104 WeakPolarHBondContact O-CB 3.4Å; S101-A104 PolarHBondContact O-N 2.9Å; S101-A104 VanDerWaalsContact O-N 3.09Å; S101-K152 PolarHBondContact O-NZ 3.25Å; S101-D528 PolarHBondContact OG-O 2.95Å; S101-D529 PolarHBondContact N-O 3.37Å
102	Q	98	Very high	96.4	Very high	33 Å²	33	51.5 Å²	51.5	15%	0.154	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.1	179.2	-75.1	178.3	-38.2	0	0	112.3	I63 E99 L100 A104 G116	I63-Q102 WeakPolarHBondContact CG2-O 3.4Å; E99-Q102 HydrophobicContact CB-CG 4.24Å; E99-Q102 VanDerWaalsContact CD-CG 3.43Å; E99-Q102 HydrophobicContact CG-CG 3.67Å; E99-Q102 PolarHBondContact OE2-NE2 2.96Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 3.17Å; Q102-A104 PolarHBondContact O-N 3.44Å; Q102-G116 VanDerWaalsContact O-CA 3.3Å; Q102-G116 WeakPolarHBondContact O-CA 3.43Å
103	F	98.6	Very high	96.2	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.6	-177.5	-76.8	-85.3	0	0	0	114.9	L56 R59 V60 I63 S101 G105 Y106 Y520 A524 I531	L56-F103 HydrophobicContact CD1-CE2 3.45Å; L56-F103 VanDerWaalsContact CD1-CE2 3.45Å; L56-F103 HydrophobicContact CD1-CZ 3.73Å; R59-F103 HydrophobicContact CB-CE1 3.69Å; R59-F103 HydrophobicContact CB-CZ 3.83Å; V60-F103 HydrophobicContact CG2-CE2 3.69Å; V60-F103 HydrophobicContact CG2-CZ 3.8Å; I63-F103 HydrophobicContact CD1-CD1 3.46Å; I63-F103 VanDerWaalsContact CD1-CD1 3.46Å; I63-F103 HydrophobicContact CD1-CD2 4.44Å; I63-F103 HydrophobicContact CD1-CE1 3.45Å; I63-F103 VanDerWaalsContact CD1-CE1 3.45Å; I63-F103 HydrophobicContact CD1-CE2 4.41Å; I63-F103 HydrophobicContact CD1-CG 3.97Å; I63-F103 HydrophobicContact CD1-CZ 3.94Å; S101-F103 PolarHBondContact O-N 3.1Å; F103-G105 PolarHBondContact O-N 3.01Å; F103-Y106 HydrophobicContact CD1-CD1 4.44Å; F103-Y106 HydrophobicContact CD1-CD2 4.13Å; F103-Y106 AromaticContact CD1-CG 3.97Å; F103-Y106 HydrophobicContact CD1-CG 3.97Å; F103-Y106 HydrophobicContact CE1-CD2 4.48Å; F103-Y106 WeakPolarHBondContact O-CB 3.21Å; F103-Y106 PolarHBondContact O-N 3.3Å; F103-Y520 AromaticContact CD1-CD1 3.64Å; F103-Y520 HydrophobicContact CD1-CD1 3.64Å; F103-Y520 HydrophobicContact CD1-CE1 4.1Å; F103-Y520 AromaticContact CE1-CD1 3.5Å; F103-Y520 HydrophobicContact CE1-CD1 3.5Å; F103-Y520 AromaticContact CE1-CE1 3.49Å; F103-Y520 HydrophobicContact CE1-CE1 3.49Å; F103-Y520 VanDerWaalsContact CE1-CE1 3.49Å; F103-Y520 HydrophobicContact CE2-CD1 4.45Å; F103-Y520 HydrophobicContact CE2-CE1 4.13Å; F103-Y520 HydrophobicContact CG-CD1 4.18Å; F103-Y520 AromaticContact CZ-CD1 3.96Å; F103-Y520 HydrophobicContact CZ-CD1 3.96Å; F103-Y520 AromaticContact CZ-CE1 3.52Å; F103-Y520 HydrophobicContact CZ-CE1 3.52Å; F103-A524 WeakPolarHBondContact O-CA 3.39Å; F103-I531 HydrophobicContact CD2-CD1 3.87Å; F103-I531 HydrophobicContact CD2-CG1 4.25Å; F103-I531 HydrophobicContact CE2-CD1 4.11Å; F103-I531 HydrophobicContact CG-CD1 4.27Å
104	A	98.8	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	130.5	178.2	0	0	0	0	0	111.5	S101 Q102 Y106 G116 G117 V148 K152 V526	S101-A104 WeakPolarHBondContact O-CB 3.4Å; S101-A104 PolarHBondContact O-N 2.9Å; S101-A104 VanDerWaalsContact O-N 3.09Å; Q102-A104 PolarHBondContact O-N 3.44Å; A104-Y106 VanDerWaalsContact C-N 3.26Å; A104-Y106 PolarHBondContact O-N 3.12Å; A104-G116 CarbonylContact O-C 3.55Å; A104-G116 VanDerWaalsContact O-C 3.26Å; A104-G116 WeakPolarHBondContact O-CA 3.5Å; A104-G116 PolarHBondContact O-N 3Å; A104-G117 PolarHBondContact O-N 3.06Å; A104-V148 HydrophobicContact CB-CG2 4.03Å; A104-K152 HydrophobicContact CB-CD 3.65Å; A104-V526 HydrophobicContact CB-CG2 4.06Å
105	G	97.9	Very high	96.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-4.6	-178	0	0	0	0	0	116	F103 Q107 L108 A524	F103-G105 PolarHBondContact O-N 3.01Å; G105-Q107 PolarHBondContact O-N 2.87Å; G105-Q107 VanDerWaalsContact O-N 3.16Å; G105-L108 WeakPolarHBondContact O-CB 3.17Å; G105-L108 PolarHBondContact O-N 3.02Å; G105-L108 VanDerWaalsContact O-N 3.15Å; G105-A524 PolarHBondContact N-O 3.39Å
106	Y	98	Very high	96.4	Very high	52 Å²	52	46.5 Å²	46.5	20%	0.204	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	117.8	178	-178.2	-97.4	0	0	0	111.1	F103 A104 L108 A524	F103-Y106 HydrophobicContact CD1-CD1 4.44Å; F103-Y106 HydrophobicContact CD1-CD2 4.13Å; F103-Y106 AromaticContact CD1-CG 3.97Å; F103-Y106 HydrophobicContact CD1-CG 3.97Å; F103-Y106 HydrophobicContact CE1-CD2 4.48Å; F103-Y106 WeakPolarHBondContact O-CB 3.21Å; F103-Y106 PolarHBondContact O-N 3.3Å; A104-Y106 VanDerWaalsContact C-N 3.26Å; A104-Y106 PolarHBondContact O-N 3.12Å; Y106-L108 PolarHBondContact O-N 3.37Å; Y106-A524 WeakPolarHBondContact O-CB 3.25Å
107	Q	96.1	Very high	96.4	Very high	156 Å²	156	43.7 Å²	43.7	73%	0.729	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	28.9	-177.6	-60.9	-179.2	-21.8	0	0	113.9	G105	G105-Q107 PolarHBondContact O-N 2.87Å; G105-Q107 VanDerWaalsContact O-N 3.16Å
108	L	96.5	Very high	96.4	Very high	44 Å²	44	41.3 Å²	41.3	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-25.4	-176.2	-172.8	60.8	0	0	0	113.3	G105 Y106 V148 R525	G105-L108 WeakPolarHBondContact O-CB 3.17Å; G105-L108 PolarHBondContact O-N 3.02Å; G105-L108 VanDerWaalsContact O-N 3.15Å; Y106-L108 PolarHBondContact O-N 3.37Å; L108-V148 HydrophobicContact CD2-CB 3.9Å; L108-V148 HydrophobicContact CD2-CG1 4.41Å; L108-V148 HydrophobicContact CD2-CG2 4.03Å; L108-R525 HydrophobicContact CD1-CG 4.02Å
109	Y	95.1	Very high	96.4	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-120.3	54.2	-169.3	-61.1	-61.1	0	0	0	112.8	N111 E112 V114 Y146 P147 V148	Y109-N111 PolarHBondContact O-N 3.46Å; Y109-E112 WeakPolarHBondContact O-CB 3.39Å; Y109-E112 PolarHBondContact O-N 3.31Å; Y109-V114 HydrophobicContact CD2-CB 4.16Å; Y109-V114 HydrophobicContact CD2-CG2 3.68Å; Y109-V114 HydrophobicContact CE2-CB 4.44Å; Y109-V114 HydrophobicContact CE2-CG2 4.24Å; Y109-Y146 HydrophobicContact CD1-CD1 4.28Å; Y109-Y146 AromaticContact CD2-CD1 3.78Å; Y109-Y146 HydrophobicContact CD2-CD1 3.78Å; Y109-Y146 HydrophobicContact CD2-CE1 4.28Å; Y109-Y146 HydrophobicContact CE1-CD1 4.18Å; Y109-Y146 AromaticContact CE2-CD1 3.66Å; Y109-Y146 HydrophobicContact CE2-CD1 3.66Å; Y109-Y146 HydrophobicContact CE2-CG 4.11Å; Y109-Y146 HydrophobicContact CG-CD1 4.08Å; Y109-Y146 HydrophobicContact CG-CE1 4.38Å; Y109-Y146 AromaticContact CZ-CD1 3.87Å; Y109-P147 WeakPolarHBondContact OH-CD 3.37Å; Y109-V148 HydrophobicContact CE2-CB 4.35Å; Y109-V148 HydrophobicContact CE2-CG1 3.65Å; Y109-V148 VanDerWaalsContact OH-CB 3.28Å; Y109-V148 WeakPolarHBondContact OH-CB 3.5Å; Y109-V148 WeakPolarHBondContact OH-CG1 3.28Å; Y109-V148 PolarHBondContact OH-N 3.04Å
110	D	88.4	Confident	96.4	Very high	146 Å²	146	39.6 Å²	39.6	78%	0.781	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	-111.8	177.6	-53.6	-49.4	0	0	0	112.1	E112	D110-E112 VanDerWaalsContact C-N 3.34Å
111	N	86.7	Confident	96.4	Very high	166 Å²	166	39.6 Å²	39.6	89%	0.888	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	4.8	-178.2	-59.5	-37.6	0	0	0	113.8	Y109	Y109-N111 PolarHBondContact O-N 3.46Å
112	E	92.5	Very high	96.4	Very high	48 Å²	48	39.5 Å²	39.5	22%	0.224	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-103.5	117.7	180	-60.8	-163.3	-117.7	0	0	111.7	Y109 D110 K141 Y146 Y177	Y109-E112 WeakPolarHBondContact O-CB 3.39Å; Y109-E112 PolarHBondContact O-N 3.31Å; D110-E112 VanDerWaalsContact C-N 3.34Å; E112-K141 IonicContact OE2-NZ 3.02Å; E112-K141 PolarHBondContact OE2-NZ 3Å; E112-Y146 PolarHBondContact OE2-OH 2.95Å; E112-Y177 PolarHBondContact OE1-OH 2.92Å; E112-Y177 PolarHBondContact OE2-OH 3.47Å
113	E	94.8	Very high	96.5	Very high	136 Å²	136	38.4 Å²	38.4	64%	0.636	19%	0.193	S	C	*	.			trans	-81.5	127.7	169.8	-65.6	-174.7	162.6	0	0	110.7	H62 K141	H62-E113 IonicContact NE2-OE2 2.69Å; E113-K141 WeakPolarHBondContact O-CE 3.29Å
114	V	97.1	Very high	96.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	19%	0.193	C	C	.	.			trans	-130.7	70.3	174.9	-168.3	0	0	0	0	108.8	Y109 G116 G117 V140 Y146	Y109-V114 HydrophobicContact CD2-CB 4.16Å; Y109-V114 HydrophobicContact CD2-CG2 3.68Å; Y109-V114 HydrophobicContact CE2-CB 4.44Å; Y109-V114 HydrophobicContact CE2-CG2 4.24Å; V114-G116 PolarHBondContact O-N 3.3Å; V114-G117 PolarHBondContact O-N 3Å; V114-V140 HydrophobicContact CB-CG1 4.42Å; V114-V140 HydrophobicContact CG1-CG1 3.82Å; V114-Y146 HydrophobicContact CG1-CD2 4.06Å; V114-Y146 HydrophobicContact CG1-CE2 4.42Å; V114-Y146 HydrophobicContact CG1-CG 4.27Å; V114-Y146 HydrophobicContact CG2-CD1 3.93Å; V114-Y146 HydrophobicContact CG2-CD2 4.24Å; V114-Y146 HydrophobicContact CG2-CE1 3.71Å; V114-Y146 HydrophobicContact CG2-CE2 4.06Å; V114-Y146 HydrophobicContact CG2-CG 4.2Å
115	P	97.3	Very high	96.5	Very high	17 Å²	17	44 Å²	44	11%	0.11	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-55.1	130.7	-174.9	-29.6	40	0	0	0	112.5	I63 G66 G117 G118	I63-P115 HydrophobicContact CG2-CB 4.39Å; G66-P115 WeakPolarHBondContact O-CG 3.27Å; P115-G117 PolarHBondContact O-N 3.14Å; P115-G118 PolarHBondContact O-N 3.43Å
116	G	97.8	Very high	96.5	Very high	6 Å²	6	43.9 Å²	43.9	6%	0.062	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	60	12.8	-176.8	0	0	0	0	0	115	Q102 A104 V114 G118 K152	Q102-G116 VanDerWaalsContact O-CA 3.3Å; Q102-G116 WeakPolarHBondContact O-CA 3.43Å; A104-G116 CarbonylContact O-C 3.55Å; A104-G116 VanDerWaalsContact O-C 3.26Å; A104-G116 WeakPolarHBondContact O-CA 3.5Å; A104-G116 PolarHBondContact O-N 3Å; V114-G116 PolarHBondContact O-N 3.3Å; G116-G118 VanDerWaalsContact C-N 3.26Å; G116-K152 WeakPolarHBondContact O-CD 3.33Å; G116-K152 PolarHBondContact O-NZ 3.32Å
117	G	97.9	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	72.6	17.8	-172.6	0	0	0	0	0	113.1	A104 V114 P115 I119 T149	A104-G117 PolarHBondContact O-N 3.06Å; V114-G117 PolarHBondContact O-N 3Å; P115-G117 PolarHBondContact O-N 3.14Å; G117-I119 PolarHBondContact O-N 3.46Å; G117-T149 VanDerWaalsContact O-CB 3.28Å; G117-T149 WeakPolarHBondContact O-CB 3.2Å; G117-T149 VanDerWaalsContact O-CG2 3.23Å; G117-T149 WeakPolarHBondContact O-CG2 3.41Å; G117-T149 PolarHBondContact O-OG1 3.13Å
118	G	98.1	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	69.9	16.9	-177.1	0	0	0	0	0	114.1	P115 G116 D137	P115-G118 PolarHBondContact O-N 3.43Å; G116-G118 VanDerWaalsContact C-N 3.26Å; G118-D137 PolarHBondContact O-N 2.87Å
119	I	98.7	Very high	96.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.7	179.7	-162	171.1	0	0	0	110.5	G117 T121 I134 A135 T149 K152 Q153	G117-I119 PolarHBondContact O-N 3.46Å; I119-T121 HydrophobicContact CD1-CG2 4.47Å; I119-T121 HydrophobicContact CG1-CG2 4.3Å; I119-T121 HydrophobicContact CG2-CG2 4.45Å; I119-I134 HydrophobicContact CD1-CG2 3.48Å; I119-I134 VanDerWaalsContact CD1-CG2 3.48Å; I119-I134 HydrophobicContact CG1-CG2 4.11Å; I119-A135 WeakPolarHBondContact CA-O 3.11Å; I119-A135 WeakPolarHBondContact CG1-O 3.25Å; I119-T149 HydrophobicContact CB-CG2 4.03Å; I119-T149 HydrophobicContact CG2-CG2 3.91Å; I119-K152 HydrophobicContact CG2-CB 4.21Å; I119-K152 HydrophobicContact CG2-CD 3.67Å; I119-K152 HydrophobicContact CG2-CG 3.94Å; I119-K152 VanDerWaalsContact O-CE 3.27Å; I119-K152 WeakPolarHBondContact O-CE 3.27Å; I119-K152 PolarHBondContact O-NZ 2.89Å; I119-Q153 HydrophobicContact CD1-CB 4.05Å; I119-Q153 HydrophobicContact CD1-CG 4.26Å
120	I	98.9	Very high	96.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.5	174.2	-58.1	159	0	0	0	107.1	P83 R84 I87 F97 E99 A135	P83-I120 HydrophobicContact CB-CD1 3.79Å; R84-I120 HydrophobicContact CG-CD1 3.45Å; R84-I120 VanDerWaalsContact CG-CD1 3.45Å; I87-I120 HydrophobicContact CD1-CB 3.98Å; I87-I120 HydrophobicContact CD1-CD1 4.39Å; I87-I120 HydrophobicContact CD1-CG2 3.46Å; I87-I120 VanDerWaalsContact CD1-CG2 3.46Å; F97-I120 HydrophobicContact CE1-CG2 4.11Å; F97-I120 HydrophobicContact CZ-CG2 4.24Å; E99-I120 HydrophobicContact CG-CG2 4.32Å; I120-A135 PolarHBondContact N-O 3.01Å; I120-A135 PolarHBondContact O-N 3.29Å
121	T	98.9	Very high	97.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139	179.5	55.4	0	0	0	0	108.5	L100 I119 I133 I134 K152 A156	L100-T121 PolarHBondContact N-O 3.4Å; L100-T121 PolarHBondContact O-OG1 2.68Å; I119-T121 HydrophobicContact CD1-CG2 4.47Å; I119-T121 HydrophobicContact CG1-CG2 4.3Å; I119-T121 HydrophobicContact CG2-CG2 4.45Å; T121-I133 CarbonylContact C-O 3.48Å; T121-I133 VanDerWaalsContact CA-O 3.29Å; T121-I133 WeakPolarHBondContact CA-O 3.18Å; T121-I134 HydrophobicContact CG2-CG1 4.19Å; T121-I134 HydrophobicContact CG2-CG2 4.32Å; T121-K152 HydrophobicContact CG2-CG 4.2Å; T121-K152 WeakPolarHBondContact OG1-CE 3.32Å; T121-A156 HydrophobicContact CG2-CB 3.78Å
122	G	98.8	Very high	98	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	176.6	177.3	0	0	0	0	0	113.2	L98 I133	L98-G122 CarbonylContact O-C 3.57Å; L98-G122 WeakPolarHBondContact O-CA 3.14Å; G122-I133 PolarHBondContact N-O 2.95Å; G122-I133 PolarHBondContact O-N 2.94Å
123	I	98.9	Very high	98.3	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.056	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.9	-179.1	-56.1	170	0	0	0	108.6	F97 L98 E130 C131 M132 I159 L165 F461 A547	F97-I123 WeakPolarHBondContact CA-O 3.3Å; L98-I123 HydrophobicContact CB-CB 4.38Å; L98-I123 PolarHBondContact N-O 2.8Å; L98-I123 PolarHBondContact O-N 3.1Å; I123-E130 HydrophobicContact CG2-CB 4.3Å; I123-C131 WeakPolarHBondContact CA-O 3.43Å; I123-M132 HydrophobicContact CD1-CE 4.27Å; I123-M132 HydrophobicContact CG1-CE 3.78Å; I123-I159 HydrophobicContact CD1-CG2 4.18Å; I123-L165 HydrophobicContact CD1-CD1 3.57Å; I123-L165 HydrophobicContact CG1-CD1 3.89Å; I123-L165 HydrophobicContact CG2-CD1 4.44Å; I123-F461 HydrophobicContact CD1-CE1 3.79Å; I123-F461 HydrophobicContact CD1-CZ 3.68Å; I123-A547 HydrophobicContact CD1-CB 3.87Å
124	G	98.7	Very high	98.5	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.8	175.7	0	0	0	0	0	110.9	C131	G124-C131 PolarHBondContact N-O 3.26Å; G124-C131 VanDerWaalsContact N-O 3.14Å; G124-C131 PolarHBondContact O-N 3.41Å
125	R	98.7	Very high	98.5	Very high	115 Å²	115	13.1 Å²	13.1	43%	0.434	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.2	171.5	-70.7	-171.2	178.7	-178	1.1	110.1	I91 D92 V129 E130	I91-R125 CarbonylContact C-O 3.53Å; I91-R125 VanDerWaalsContact CA-O 3.23Å; I91-R125 WeakPolarHBondContact CA-O 3.3Å; I91-R125 WeakPolarHBondContact CB-O 3.45Å; D92-R125 HydrophobicContact CB-CB 4.39Å; D92-R125 PolarHBondContact N-O 3.39Å; R125-V129 CarbonylContact C-O 3.4Å; R125-V129 VanDerWaalsContact CA-O 3.28Å; R125-V129 WeakPolarHBondContact CA-O 3.47Å; R125-E130 HydrophobicContact CG-CG 4.13Å
126	V	98.8	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.9	175.2	-174.6	0	0	0	0	107.3	L90 G128 V129 C131 I133 I168 R288 V291	L90-V126 HydrophobicContact CD1-CG1 4.01Å; L90-V126 HydrophobicContact CD1-CG2 4.48Å; L90-V126 HydrophobicContact CD2-CG2 4.43Å; L90-V126 HydrophobicContact CG-CG1 4.4Å; L90-V126 HydrophobicContact CG-CG2 4Å; V126-G128 PolarHBondContact O-N 3.07Å; V126-V129 PolarHBondContact N-O 3.02Å; V126-V129 PolarHBondContact O-N 2.93Å; V126-C131 HydrophobicContact CG2-CB 4.33Å; V126-I133 HydrophobicContact CG2-CD1 4.16Å; V126-I168 HydrophobicContact CB-CD1 4.31Å; V126-I168 HydrophobicContact CG1-CD1 4.34Å; V126-I168 HydrophobicContact CG2-CD1 3.9Å; V126-R288 HydrophobicContact CG1-CB 4.49Å; V126-R288 HydrophobicContact CG1-CG 3.85Å; V126-V291 HydrophobicContact CB-CG1 4.3Å; V126-V291 HydrophobicContact CB-CG2 4.39Å; V126-V291 HydrophobicContact CG1-CB 4.13Å; V126-V291 HydrophobicContact CG1-CG1 4.32Å; V126-V291 HydrophobicContact CG1-CG2 3.91Å; V126-V291 WeakPolarHBondContact O-CG1 3.35Å
127	S	98.3	Very high	98.6	Very high	26 Å²	26	13 Å²	13	18%	0.182	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.3	-176.9	-66.7	0	0	0	0	113.3	D92 V129 R288 R292	D92-S127 PolarHBondContact OD1-N 3.15Å; D92-S127 PolarHBondContact OD2-N 3.15Å; S127-V129 VanDerWaalsContact C-N 3.31Å; S127-V129 PolarHBondContact O-N 3.09Å; S127-R288 PolarHBondContact OG-O 2.8Å; S127-R292 VanDerWaalsContact CB-CG 3.4Å; S127-R292 WeakPolarHBondContact OG-CG 3.24Å; S127-R292 PolarHBondContact OG-NE 2.92Å
128	G	97.6	Very high	98.6	Very high	56 Å²	56	13.9 Å²	13.9	58%	0.577	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-2.9	-180	0	0	0	0	0	115.5	D92 V126	D92-G128 PolarHBondContact OD2-N 2.97Å; V126-G128 PolarHBondContact O-N 3.07Å
129	V	98.7	Very high	98.6	Very high	15 Å²	15	14.4 Å²	14.4	9%	0.091	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.7	-178.4	-177.3	0	0	0	0	110.2	R125 V126 S127 C131 P166 V291 Y296	R125-V129 CarbonylContact C-O 3.4Å; R125-V129 VanDerWaalsContact CA-O 3.28Å; R125-V129 WeakPolarHBondContact CA-O 3.47Å; V126-V129 PolarHBondContact N-O 3.02Å; V126-V129 PolarHBondContact O-N 2.93Å; S127-V129 VanDerWaalsContact C-N 3.31Å; S127-V129 PolarHBondContact O-N 3.09Å; V129-C131 PolarHBondContact O-N 2.87Å; V129-P166 HydrophobicContact CG1-CG 3.99Å; V129-V291 HydrophobicContact CB-CG1 3.8Å; V129-V291 HydrophobicContact CG1-CG1 4.49Å; V129-V291 HydrophobicContact CG2-CG1 3.91Å; V129-Y296 HydrophobicContact CB-CD1 4.48Å; V129-Y296 HydrophobicContact CG1-CD1 3.71Å; V129-Y296 HydrophobicContact CG1-CD2 4.15Å; V129-Y296 HydrophobicContact CG1-CE1 3.97Å; V129-Y296 HydrophobicContact CG1-CE2 4.38Å; V129-Y296 HydrophobicContact CG1-CG 3.8Å; V129-Y296 HydrophobicContact CG2-CD1 4.12Å; V129-Y296 HydrophobicContact CG2-CG 4.2Å
130	E	98.8	Very high	98.6	Very high	15 Å²	15	14.5 Å²	14.5	7%	0.07	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	113.5	172.3	-68.4	167.1	132.9	0	0	109.3	I123 R125 L165 K298 S546 N550	I123-E130 HydrophobicContact CG2-CB 4.3Å; R125-E130 HydrophobicContact CG-CG 4.13Å; E130-L165 HydrophobicContact CB-CD2 4.2Å; E130-K298 IonicContact OE1-NZ 3.63Å; E130-K298 IonicContact OE2-NZ 2.7Å; E130-K298 PolarHBondContact OE2-NZ 3.46Å; E130-S546 WeakPolarHBondContact OE1-CB 3.26Å; E130-S546 PolarHBondContact OE1-OG 3.12Å; E130-S546 PolarHBondContact OE2-OG 3.01Å; E130-N550 PolarHBondContact OE2-ND2 3.31Å; E130-N550 PolarHBondContact OE2-OD1 3.28Å
131	C	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.9	-176.2	-60.9	0	0	0	0	110.9	I123 G124 V126 V129 I133 P166 I168	I123-C131 WeakPolarHBondContact CA-O 3.43Å; G124-C131 PolarHBondContact N-O 3.26Å; G124-C131 VanDerWaalsContact N-O 3.14Å; G124-C131 PolarHBondContact O-N 3.41Å; V126-C131 HydrophobicContact CG2-CB 4.33Å; V129-C131 PolarHBondContact O-N 2.87Å; C131-I133 PolarHBondContact O-N 2.98Å; C131-P166 CarbonylContact C-O 3.49Å; C131-P166 VanDerWaalsContact CA-O 3.32Å; C131-P166 WeakPolarHBondContact CA-O 3.23Å; C131-P166 WeakPolarHBondContact CB-O 3.18Å; C131-I168 HydrophobicContact CB-CD1 3.84Å; C131-I168 HydrophobicContact CB-CG1 4.38Å
132	M	98.9	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.7	163.9	177	57.6	63.9	0	0	108.4	L100 I123 I134 A156 I159 A160 L165 P166 C167 I168	L100-M132 HydrophobicContact CD1-CE 3.82Å; L100-M132 HydrophobicContact CD1-SD 4.37Å; I123-M132 HydrophobicContact CD1-CE 4.27Å; I123-M132 HydrophobicContact CG1-CE 3.78Å; M132-I134 HydrophobicContact CG-CD1 4.05Å; M132-I134 HydrophobicContact CG-CG1 4.05Å; M132-I134 HydrophobicContact SD-CG1 4.47Å; M132-A156 HydrophobicContact CE-CB 4.45Å; M132-A156 WeakPolarHBondContact CE-O 3.4Å; M132-A156 HydrophobicContact CG-CB 4.36Å; M132-A156 HydrophobicContact SD-CB 3.82Å; M132-I159 HydrophobicContact CE-CB 3.94Å; M132-I159 HydrophobicContact CE-CG2 3.56Å; M132-A160 HydrophobicContact CB-CB 3.77Å; M132-A160 HydrophobicContact CG-CB 4.01Å; M132-L165 HydrophobicContact CB-CB 4.23Å; M132-L165 HydrophobicContact CE-CD1 4.34Å; M132-P166 PolarHBondContact N-O 3.37Å; M132-C167 CarbonylContact O-C 3.57Å; M132-C167 WeakPolarHBondContact O-CA 3.08Å; M132-I168 PolarHBondContact O-N 3.49Å
133	I	98.9	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.2	178.8	-59.3	166.1	0	0	0	108.3	I87 L90 I91 F97 T121 G122 V126 C131 I168 L170	I87-I133 HydrophobicContact CG1-CG2 4.05Å; L90-I133 HydrophobicContact CD2-CD1 4.01Å; L90-I133 HydrophobicContact CD2-CG1 4.25Å; L90-I133 HydrophobicContact CD2-CG2 4.3Å; I91-I133 HydrophobicContact CG2-CD1 3.61Å; F97-I133 HydrophobicContact CE2-CB 4.33Å; F97-I133 HydrophobicContact CE2-CD1 4.25Å; T121-I133 CarbonylContact C-O 3.48Å; T121-I133 VanDerWaalsContact CA-O 3.29Å; T121-I133 WeakPolarHBondContact CA-O 3.18Å; G122-I133 PolarHBondContact N-O 2.95Å; G122-I133 PolarHBondContact O-N 2.94Å; V126-I133 HydrophobicContact CG2-CD1 4.16Å; C131-I133 PolarHBondContact O-N 2.98Å; I133-I168 WeakPolarHBondContact CA-O 3.43Å; I133-I168 HydrophobicContact CG1-CB 4.47Å; I133-I168 HydrophobicContact CG1-CD1 4.48Å; I133-L170 HydrophobicContact CG2-CD1 4.34Å
134	I	98.9	Very high	97.9	Very high	2 Å²	2	21 Å²	21	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	107	-177.8	-63.3	162.6	0	0	0	107.1	I119 T121 M132 Q153 A156 Q157 I168 Y169 L170	I119-I134 HydrophobicContact CD1-CG2 3.48Å; I119-I134 VanDerWaalsContact CD1-CG2 3.48Å; I119-I134 HydrophobicContact CG1-CG2 4.11Å; T121-I134 HydrophobicContact CG2-CG1 4.19Å; T121-I134 HydrophobicContact CG2-CG2 4.32Å; M132-I134 HydrophobicContact CG-CD1 4.05Å; M132-I134 HydrophobicContact CG-CG1 4.05Å; M132-I134 HydrophobicContact SD-CG1 4.47Å; I134-Q153 HydrophobicContact CD1-CG 4.38Å; I134-Q153 HydrophobicContact CG2-CG 3.99Å; I134-A156 HydrophobicContact CD1-CB 4.12Å; I134-A156 HydrophobicContact CG1-CB 4.08Å; I134-Q157 HydrophobicContact CD1-CG 4.38Å; I134-I168 PolarHBondContact N-O 2.9Å; I134-Y169 HydrophobicContact CB-CD1 3.98Å; I134-Y169 HydrophobicContact CB-CE1 4.47Å; I134-Y169 HydrophobicContact CD1-CD1 3.8Å; I134-Y169 HydrophobicContact CD1-CE1 3.4Å; I134-Y169 HydrophobicContact CG1-CD1 4.48Å; I134-Y169 HydrophobicContact CG2-CD1 4.12Å; I134-Y169 CarbonylContact O-C 3.49Å; I134-Y169 WeakPolarHBondContact O-CA 3.43Å; I134-L170 PolarHBondContact O-N 3.24Å
135	A	98.8	Very high	97.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.6	-175.5	0	0	0	0	0	111.1	I87 I119 I120 L170	I87-A135 HydrophobicContact CD1-CB 4.01Å; I87-A135 HydrophobicContact CG1-CB 4.24Å; I119-A135 WeakPolarHBondContact CA-O 3.11Å; I119-A135 WeakPolarHBondContact CG1-O 3.25Å; I120-A135 PolarHBondContact N-O 3.01Å; I120-A135 PolarHBondContact O-N 3.29Å; A135-L170 HydrophobicContact CB-CB 3.86Å; A135-L170 HydrophobicContact CB-CD1 4.01Å; A135-L170 HydrophobicContact CB-CG 4.25Å
136	N	98.6	Very high	97.9	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.043	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.7	173.7	-61.5	115.2	0	0	0	110.4	P83 Y145 L170 D172	P83-N136 WeakPolarHBondContact CG-O 3.46Å; N136-Y145 PolarHBondContact ND2-OH 2.95Å; N136-L170 PolarHBondContact N-O 3.46Å; N136-L170 VanDerWaalsContact N-O 3.13Å; N136-D172 HydrophobicContact CB-CB 4.43Å; N136-D172 VanDerWaalsContact CB-O 3.31Å; N136-D172 WeakPolarHBondContact CB-O 3.33Å; N136-D172 PolarHBondContact OD1-N 3.05Å
137	D	98.5	Very high	97.8	Very high	14 Å²	14	17.1 Å²	17.1	8%	0.075	12%	0.117	C	C	.	.			trans	-97.3	92.4	170.1	-167.5	-17.7	0	0	0	110.8	G66 P83 G118 T139 V140 G143	G66-D137 WeakPolarHBondContact CA-OD2 3.39Å; P83-D137 HydrophobicContact CG-CB 4.02Å; G118-D137 PolarHBondContact O-N 2.87Å; D137-T139 VanDerWaalsContact CG-OG1 3.32Å; D137-T139 PolarHBondContact O-N 3.43Å; D137-T139 VanDerWaalsContact O-N 3.08Å; D137-T139 WeakPolarHBondContact OD1-CA 3.27Å; D137-T139 VanDerWaalsContact OD1-CB 3.26Å; D137-T139 WeakPolarHBondContact OD1-CB 3.33Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.26Å; D137-T139 PolarHBondContact OD1-N 3.45Å; D137-T139 PolarHBondContact OD1-OG1 3.1Å; D137-T139 PolarHBondContact OD2-OG1 3.13Å; D137-V140 HydrophobicContact CB-CB 4.41Å; D137-V140 HydrophobicContact CB-CG2 4.07Å; D137-V140 PolarHBondContact O-N 3.36Å; D137-G143 WeakPolarHBondContact O-CA 3.19Å; D137-G143 PolarHBondContact O-N 2.61Å
138	A	97.6	Very high	97.9	Very high	18 Å²	18	16.1 Å²	16.1	15%	0.149	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.3	178	0	0	0	0	0	113.6	G142 D172	A138-G142 CarbonylContact O-C 3.57Å; A138-G142 WeakPolarHBondContact O-CA 3.3Å; A138-G142 PolarHBondContact O-N 2.8Å; A138-D172 HydrophobicContact CB-CB 4.33Å
139	T	98.2	Very high	97.9	Very high	11 Å²	11	13.5 Å²	13.5	7%	0.067	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-28.6	175.5	76.1	0	0	0	0	111.5	G67 R72 H75 L82 D137 K141	G67-T139 WeakPolarHBondContact CA-O 3.35Å; G67-T139 PolarHBondContact N-OG1 3.42Å; R72-T139 HydrophobicContact CG-CG2 4.2Å; H75-T139 HydrophobicContact CB-CG2 3.89Å; L82-T139 HydrophobicContact CD2-CG2 4.03Å; D137-T139 VanDerWaalsContact CG-OG1 3.32Å; D137-T139 PolarHBondContact O-N 3.43Å; D137-T139 VanDerWaalsContact O-N 3.08Å; D137-T139 WeakPolarHBondContact OD1-CA 3.27Å; D137-T139 VanDerWaalsContact OD1-CB 3.26Å; D137-T139 WeakPolarHBondContact OD1-CB 3.33Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.26Å; D137-T139 PolarHBondContact OD1-N 3.45Å; D137-T139 PolarHBondContact OD1-OG1 3.1Å; D137-T139 PolarHBondContact OD2-OG1 3.13Å; T139-K141 PolarHBondContact O-N 3.09Å
140	V	98.1	Very high	97.9	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.012	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	102.1	178.8	-179.6	0	0	0	0	109.3	V114 D137 G142 G143	V114-V140 HydrophobicContact CB-CG1 4.42Å; V114-V140 HydrophobicContact CG1-CG1 3.82Å; D137-V140 HydrophobicContact CB-CB 4.41Å; D137-V140 HydrophobicContact CB-CG2 4.07Å; D137-V140 PolarHBondContact O-N 3.36Å; V140-G142 PolarHBondContact O-N 3.45Å; V140-G143 PolarHBondContact O-N 2.88Å
141	K	96	Very high	97.9	Very high	92 Å²	92	16.6 Å²	16.6	40%	0.4	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	53.4	31.6	177.1	-54.7	-71.6	-174.2	161.8	0	113.2	E112 E113 T139 G143 T144 Y146	E112-K141 IonicContact OE2-NZ 3.02Å; E112-K141 PolarHBondContact OE2-NZ 3Å; E113-K141 WeakPolarHBondContact O-CE 3.29Å; T139-K141 PolarHBondContact O-N 3.09Å; K141-G143 VanDerWaalsContact C-N 3.29Å; K141-G143 PolarHBondContact O-N 3.12Å; K141-T144 WeakPolarHBondContact O-CG2 3.15Å; K141-T144 PolarHBondContact O-OG1 2.71Å; K141-T144 VanDerWaalsContact O-OG1 3.12Å; K141-Y146 HydrophobicContact CB-CE2 3.98Å; K141-Y146 HydrophobicContact CG-CE2 3.91Å
142	G	94.1	Very high	97.9	Very high	41 Å²	41	16.7 Å²	16.7	42%	0.423	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	72.8	18.4	-177	0	0	0	0	0	114.4	A138 V140 T144 G174	A138-G142 CarbonylContact O-C 3.57Å; A138-G142 WeakPolarHBondContact O-CA 3.3Å; A138-G142 PolarHBondContact O-N 2.8Å; V140-G142 PolarHBondContact O-N 3.45Å; G142-T144 VanDerWaalsContact C-N 3.26Å; G142-T144 PolarHBondContact O-N 3.25Å; G142-G174 PolarHBondContact O-N 3.41Å
143	G	95	Very high	97.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	70.9	19.9	-177	0	0	0	0	0	113.5	D137 V140 K141 S173	D137-G143 WeakPolarHBondContact O-CA 3.19Å; D137-G143 PolarHBondContact O-N 2.61Å; V140-G143 PolarHBondContact O-N 2.88Å; K141-G143 VanDerWaalsContact C-N 3.29Å; K141-G143 PolarHBondContact O-N 3.12Å; G143-S173 WeakPolarHBondContact O-CB 3.37Å; G143-S173 PolarHBondContact O-OG 3Å
144	T	96.3	Very high	97.9	Very high	22 Å²	22	17.6 Å²	17.6	14%	0.135	10%	0.1	C	C	.	.			trans	-70.9	144.1	-178.9	56.6	0	0	0	0	112	K141 G142 Y146 G175	K141-T144 WeakPolarHBondContact O-CG2 3.15Å; K141-T144 PolarHBondContact O-OG1 2.71Å; K141-T144 VanDerWaalsContact O-OG1 3.12Å; G142-T144 VanDerWaalsContact C-N 3.26Å; G142-T144 PolarHBondContact O-N 3.25Å; T144-Y146 PolarHBondContact O-N 3.17Å; T144-G175 CarbonylContact C-O 3.56Å; T144-G175 WeakPolarHBondContact CA-O 3.39Å
145	Y	97.9	Very high	97.9	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.027	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-78.1	110.9	178.8	-78.7	-105.9	0	0	0	111.9	N136 T149 V150 Q153 S173 G175 Y177 F191 L194	N136-Y145 PolarHBondContact ND2-OH 2.95Å; Y145-T149 HydrophobicContact CD1-CG2 3.38Å; Y145-T149 HydrophobicContact CE1-CG2 3.67Å; Y145-T149 HydrophobicContact CG-CG2 3.87Å; Y145-V150 HydrophobicContact CD1-CG2 4.01Å; Y145-Q153 VanDerWaalsContact CZ-OE1 3.27Å; Y145-Q153 PolarHBondContact OH-OE1 2.89Å; Y145-S173 WeakPolarHBondContact CD2-OG 3.31Å; Y145-S173 WeakPolarHBondContact CE2-OG 3.12Å; Y145-G175 PolarHBondContact N-O 3.29Å; Y145-Y177 VanDerWaalsContact O-CB 3.32Å; Y145-Y177 WeakPolarHBondContact O-CB 3.05Å; Y145-Y177 PolarHBondContact O-N 3.41Å; Y145-F191 AromaticContact CD1-CD2 3.88Å; Y145-F191 HydrophobicContact CD1-CD2 3.88Å; Y145-F191 AromaticContact CD1-CE2 3.45Å; Y145-F191 HydrophobicContact CD1-CE2 3.45Å; Y145-F191 VanDerWaalsContact CD1-CE2 3.45Å; Y145-F191 AromaticContact CD2-CE2 3.57Å; Y145-F191 HydrophobicContact CD2-CE2 3.57Å; Y145-F191 HydrophobicContact CD2-CZ 4.08Å; Y145-F191 HydrophobicContact CE1-CD2 4.34Å; Y145-F191 AromaticContact CE1-CE2 3.7Å; Y145-F191 HydrophobicContact CE1-CE2 3.7Å; Y145-F191 AromaticContact CE2-CE2 3.82Å; Y145-F191 HydrophobicContact CE2-CE2 3.82Å; Y145-F191 HydrophobicContact CE2-CZ 4.22Å; Y145-F191 HydrophobicContact CG-CD2 4.02Å; Y145-F191 AromaticContact CG-CE2 3.37Å; Y145-F191 HydrophobicContact CG-CE2 3.37Å; Y145-F191 HydrophobicContact CG-CZ 4.29Å; Y145-F191 AromaticContact CZ-CE2 3.88Å; Y145-L194 HydrophobicContact CE1-CD1 4.09Å
146	Y	98.2	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.			trans	-82.1	165.4	162.6	-78.6	-112.5	0	0	0	109.6	Y109 E112 V114 K141 T144 V148 T149 V150 Y177	Y109-Y146 HydrophobicContact CD1-CD1 4.28Å; Y109-Y146 AromaticContact CD2-CD1 3.78Å; Y109-Y146 HydrophobicContact CD2-CD1 3.78Å; Y109-Y146 HydrophobicContact CD2-CE1 4.28Å; Y109-Y146 HydrophobicContact CE1-CD1 4.18Å; Y109-Y146 AromaticContact CE2-CD1 3.66Å; Y109-Y146 HydrophobicContact CE2-CD1 3.66Å; Y109-Y146 HydrophobicContact CE2-CG 4.11Å; Y109-Y146 HydrophobicContact CG-CD1 4.08Å; Y109-Y146 HydrophobicContact CG-CE1 4.38Å; Y109-Y146 AromaticContact CZ-CD1 3.87Å; E112-Y146 PolarHBondContact OE2-OH 2.95Å; V114-Y146 HydrophobicContact CG1-CD2 4.06Å; V114-Y146 HydrophobicContact CG1-CE2 4.42Å; V114-Y146 HydrophobicContact CG1-CG 4.27Å; V114-Y146 HydrophobicContact CG2-CD1 3.93Å; V114-Y146 HydrophobicContact CG2-CD2 4.24Å; V114-Y146 HydrophobicContact CG2-CE1 3.71Å; V114-Y146 HydrophobicContact CG2-CE2 4.06Å; V114-Y146 HydrophobicContact CG2-CG 4.2Å; K141-Y146 HydrophobicContact CB-CE2 3.98Å; K141-Y146 HydrophobicContact CG-CE2 3.91Å; T144-Y146 PolarHBondContact O-N 3.17Å; Y146-V148 PolarHBondContact O-N 3.5Å; Y146-V148 VanDerWaalsContact O-N 3.16Å; Y146-T149 PolarHBondContact N-OG1 3.34Å; Y146-T149 WeakPolarHBondContact O-CA 3.43Å; Y146-T149 VanDerWaalsContact O-CB 3.24Å; Y146-T149 WeakPolarHBondContact O-CB 3.38Å; Y146-T149 PolarHBondContact O-N 3.07Å; Y146-T149 PolarHBondContact O-OG1 2.87Å; Y146-V150 PolarHBondContact O-N 2.71Å; Y146-Y177 AromaticContact CD1-CD1 4Å; Y146-Y177 HydrophobicContact CD1-CD1 4Å; Y146-Y177 HydrophobicContact CD1-CE1 4.38Å; Y146-Y177 HydrophobicContact CD1-CG 4.47Å; Y146-Y177 HydrophobicContact CD2-CD1 4.49Å; Y146-Y177 HydrophobicContact CD2-CG 4.16Å; Y146-Y177 AromaticContact CE1-CD1 3.62Å; Y146-Y177 HydrophobicContact CE1-CD1 3.62Å; Y146-Y177 AromaticContact CE1-CE1 3.62Å; Y146-Y177 HydrophobicContact CE1-CE1 3.62Å; Y146-Y177 HydrophobicContact CE1-CG 4.12Å; Y146-Y177 HydrophobicContact CE2-CD1 4.14Å; Y146-Y177 AromaticContact CE2-CD2 3.87Å; Y146-Y177 HydrophobicContact CE2-CD2 3.87Å; Y146-Y177 HydrophobicContact CE2-CE2 4.35Å; Y146-Y177 AromaticContact CE2-CG 3.76Å; Y146-Y177 HydrophobicContact CE2-CG 3.76Å; Y146-Y177 HydrophobicContact CG-CD1 4.42Å; Y146-Y177 HydrophobicContact CG-CG 4.49Å; Y146-Y177 AromaticContact CZ-CD1 3.7Å; Y146-Y177 AromaticContact CZ-CD2 3.83Å; Y146-Y177 AromaticContact CZ-CE1 3.72Å; Y146-Y177 AromaticContact CZ-CE2 3.89Å; Y146-Y177 AromaticContact CZ-CG 3.74Å; Y146-Y177 AromaticContact CZ-CZ 3.81Å; Y146-Y177 WeakPolarHBondContact OH-CE2 3.33Å
147	P	98.4	Very high	97.9	Very high	28 Å²	28	17.8 Å²	17.8	18%	0.182	10%	0.1	C	C	.	.	H	α-helix	trans	-51.2	-40.2	175.9	-29.8	35.9	0	0	0	113.4	Y109 V150 K151 R180 D183 V184	Y109-P147 WeakPolarHBondContact OH-CD 3.37Å; P147-V150 PolarHBondContact O-N 3.13Å; P147-K151 PolarHBondContact O-N 3.26Å; P147-K151 VanDerWaalsContact O-N 3.11Å; P147-R180 HydrophobicContact CG-CB 4.18Å; P147-D183 HydrophobicContact CB-CB 4.09Å; P147-D183 HydrophobicContact CG-CB 3.56Å; P147-V184 HydrophobicContact CG-CG2 3.88Å
148	V	98.6	Very high	97.9	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.03	11%	0.109	C	C	.	.	H	α-helix	trans	-71.9	-29.7	178.5	77.8	0	0	0	0	112.6	A104 L108 Y109 Y146 V150 K151 K152 A524 V526	A104-V148 HydrophobicContact CB-CG2 4.03Å; L108-V148 HydrophobicContact CD2-CB 3.9Å; L108-V148 HydrophobicContact CD2-CG1 4.41Å; L108-V148 HydrophobicContact CD2-CG2 4.03Å; Y109-V148 HydrophobicContact CE2-CB 4.35Å; Y109-V148 HydrophobicContact CE2-CG1 3.65Å; Y109-V148 VanDerWaalsContact OH-CB 3.28Å; Y109-V148 WeakPolarHBondContact OH-CB 3.5Å; Y109-V148 WeakPolarHBondContact OH-CG1 3.28Å; Y109-V148 PolarHBondContact OH-N 3.04Å; Y146-V148 PolarHBondContact O-N 3.5Å; Y146-V148 VanDerWaalsContact O-N 3.16Å; V148-V150 VanDerWaalsContact C-N 3.34Å; V148-K151 PolarHBondContact O-N 3.02Å; V148-K152 VanDerWaalsContact O-CB 3.27Å; V148-K152 WeakPolarHBondContact O-CB 3.5Å; V148-K152 PolarHBondContact O-N 3.26Å; V148-A524 WeakPolarHBondContact CG2-O 3.48Å; V148-V526 HydrophobicContact CG2-CG2 3.98Å
149	T	98.7	Very high	98	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-46.3	174.4	-43.2	0	0	0	0	110	G117 I119 Y145 Y146 K152 Q153	G117-T149 VanDerWaalsContact O-CB 3.28Å; G117-T149 WeakPolarHBondContact O-CB 3.2Å; G117-T149 VanDerWaalsContact O-CG2 3.23Å; G117-T149 WeakPolarHBondContact O-CG2 3.41Å; G117-T149 PolarHBondContact O-OG1 3.13Å; I119-T149 HydrophobicContact CB-CG2 4.03Å; I119-T149 HydrophobicContact CG2-CG2 3.91Å; Y145-T149 HydrophobicContact CD1-CG2 3.38Å; Y145-T149 HydrophobicContact CE1-CG2 3.67Å; Y145-T149 HydrophobicContact CG-CG2 3.87Å; Y146-T149 PolarHBondContact N-OG1 3.34Å; Y146-T149 WeakPolarHBondContact O-CA 3.43Å; Y146-T149 VanDerWaalsContact O-CB 3.24Å; Y146-T149 WeakPolarHBondContact O-CB 3.38Å; Y146-T149 PolarHBondContact O-N 3.07Å; Y146-T149 PolarHBondContact O-OG1 2.87Å; T149-K152 PolarHBondContact O-N 3.45Å; T149-Q153 PolarHBondContact O-N 3.49Å
150	V	98.6	Very high	98	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-51	176.1	-176.7	0	0	0	0	110.1	Y145 Y146 P147 V148 K152 Q153 L154 V184 F191	Y145-V150 HydrophobicContact CD1-CG2 4.01Å; Y146-V150 PolarHBondContact O-N 2.71Å; P147-V150 PolarHBondContact O-N 3.13Å; V148-V150 VanDerWaalsContact C-N 3.34Å; V150-K152 VanDerWaalsContact C-N 3.32Å; V150-K152 PolarHBondContact O-N 3.26Å; V150-Q153 PolarHBondContact O-N 2.93Å; V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 HydrophobicContact CG1-CG 4.32Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 WeakPolarHBondContact O-CG 3.36Å; V150-L154 PolarHBondContact O-N 3.24Å; V150-V184 HydrophobicContact CG2-CG1 3.97Å; V150-F191 HydrophobicContact CG2-CD2 4.05Å
151	K	98.8	Very high	98.1	Very high	94 Å²	94	20.9 Å²	20.9	41%	0.409	11%	0.111	S	C	.	.	H	α-helix	trans	-57.8	-43.6	179.2	-170.6	176.8	-174.9	-178.4	0	112.4	P147 V148 L154 R155 R525 V526	P147-K151 PolarHBondContact O-N 3.26Å; P147-K151 VanDerWaalsContact O-N 3.11Å; V148-K151 PolarHBondContact O-N 3.02Å; K151-L154 PolarHBondContact O-N 3.49Å; K151-R155 PolarHBondContact O-N 2.97Å; K151-R525 VanDerWaalsContact CE-O 3.3Å; K151-R525 WeakPolarHBondContact CE-O 3.42Å; K151-R525 PolarHBondContact NZ-O 2.9Å; K151-V526 HydrophobicContact CD-CB 4.26Å; K151-V526 HydrophobicContact CG-CB 4.38Å
152	K	98.9	Very high	98.2	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-44.7	178.7	-180	167.9	175	176.9	0	111.8	L100 S101 A104 G116 I119 T121 V148 T149 V150 R155 A156 V526	L100-K152 VanDerWaalsContact O-CE 3.23Å; L100-K152 WeakPolarHBondContact O-CE 3.44Å; L100-K152 PolarHBondContact O-NZ 2.84Å; S101-K152 PolarHBondContact O-NZ 3.25Å; A104-K152 HydrophobicContact CB-CD 3.65Å; G116-K152 WeakPolarHBondContact O-CD 3.33Å; G116-K152 PolarHBondContact O-NZ 3.32Å; I119-K152 HydrophobicContact CG2-CB 4.21Å; I119-K152 HydrophobicContact CG2-CD 3.67Å; I119-K152 HydrophobicContact CG2-CG 3.94Å; I119-K152 VanDerWaalsContact O-CE 3.27Å; I119-K152 WeakPolarHBondContact O-CE 3.27Å; I119-K152 PolarHBondContact O-NZ 2.89Å; T121-K152 HydrophobicContact CG2-CG 4.2Å; T121-K152 WeakPolarHBondContact OG1-CE 3.32Å; V148-K152 VanDerWaalsContact O-CB 3.27Å; V148-K152 WeakPolarHBondContact O-CB 3.5Å; V148-K152 PolarHBondContact O-N 3.26Å; T149-K152 PolarHBondContact O-N 3.45Å; V150-K152 VanDerWaalsContact C-N 3.32Å; V150-K152 PolarHBondContact O-N 3.26Å; K152-R155 PolarHBondContact O-N 2.94Å; K152-A156 PolarHBondContact O-N 3.42Å; K152-V526 HydrophobicContact CB-CG2 4.39Å
153	Q	98.8	Very high	98.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-39.8	176.8	-171.5	173.6	-33.9	0	0	112.2	I119 I134 Y145 T149 V150 R155 A156 Q157 L194	I119-Q153 HydrophobicContact CD1-CB 4.05Å; I119-Q153 HydrophobicContact CD1-CG 4.26Å; I134-Q153 HydrophobicContact CD1-CG 4.38Å; I134-Q153 HydrophobicContact CG2-CG 3.99Å; Y145-Q153 VanDerWaalsContact CZ-OE1 3.27Å; Y145-Q153 PolarHBondContact OH-OE1 2.89Å; T149-Q153 PolarHBondContact O-N 3.49Å; V150-Q153 PolarHBondContact O-N 2.93Å; Q153-R155 VanDerWaalsContact C-N 3.29Å; Q153-R155 PolarHBondContact O-N 3.05Å; Q153-A156 WeakPolarHBondContact O-CB 3.49Å; Q153-A156 PolarHBondContact O-N 2.74Å; Q153-Q157 PolarHBondContact O-N 2.99Å; Q153-L194 HydrophobicContact CB-CD2 3.82Å; Q153-L194 HydrophobicContact CG-CD2 3.67Å
154	L	98.9	Very high	98.6	Very high	18 Å²	18	22.3 Å²	22.3	9%	0.094	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-40.2	174.4	-74	175	0	0	0	111.8	V150 K151 Q157 E158 D189 R193 L194 N197	V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 HydrophobicContact CG1-CG 4.32Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 WeakPolarHBondContact O-CG 3.36Å; V150-L154 PolarHBondContact O-N 3.24Å; K151-L154 PolarHBondContact O-N 3.49Å; L154-Q157 PolarHBondContact O-N 3.16Å; L154-E158 WeakPolarHBondContact O-CB 3.43Å; L154-E158 PolarHBondContact O-N 2.83Å; L154-D189 HydrophobicContact CD1-CB 4.09Å; L154-D189 WeakPolarHBondContact CD1-O 3.43Å; L154-R193 HydrophobicContact CD1-CB 4.24Å; L154-R193 HydrophobicContact CD1-CG 4.36Å; L154-R193 HydrophobicContact CD2-CB 3.66Å; L154-R193 HydrophobicContact CD2-CG 3.54Å; L154-L194 HydrophobicContact CD2-CD2 3.6Å; L154-L194 HydrophobicContact CD2-CG 4.35Å; L154-L194 HydrophobicContact CG-CD2 3.74Å; L154-N197 WeakPolarHBondContact CD2-ND2 3.3Å
155	R	98.9	Very high	98.7	Very high	13 Å²	13	21.2 Å²	21.2	5%	0.049	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-42	173.5	178.5	55.7	-175.5	165.4	3.7	112.2	K151 K152 Q153 Q157 E158 I159 R455 P459 R460 V526 D529	K151-R155 PolarHBondContact O-N 2.97Å; K152-R155 PolarHBondContact O-N 2.94Å; Q153-R155 VanDerWaalsContact C-N 3.29Å; Q153-R155 PolarHBondContact O-N 3.05Å; R155-Q157 PolarHBondContact O-N 2.86Å; R155-E158 WeakPolarHBondContact CD-OE2 3.42Å; R155-E158 IonicContact CZ-OE2 2.71Å; R155-E158 IonicContact NH1-OE1 3.94Å; R155-E158 PolarHBondContact NH1-OE1 2.85Å; R155-E158 IonicContact NH1-OE2 3.63Å; R155-E158 PolarHBondContact NH1-OE2 3.17Å; R155-E158 WeakPolarHBondContact O-CB 3.47Å; R155-E158 PolarHBondContact O-N 2.77Å; R155-I159 HydrophobicContact CG-CD1 4.19Å; R155-I159 WeakPolarHBondContact O-CG1 3.43Å; R155-I159 PolarHBondContact O-N 3.16Å; R155-R455 VanDerWaalsContact CD-NH2 3.27Å; R155-R455 VanDerWaalsContact NE-NH1 3.11Å; R155-R455 VanDerWaalsContact NE-NH2 3.2Å; R155-R455 VanDerWaalsContact NH2-NH1 3.19Å; R155-P459 PolarHBondContact NH2-O 2.63Å; R155-R460 PolarHBondContact NH2-O 2.57Å; R155-V526 HydrophobicContact CB-CG1 4.1Å; R155-V526 HydrophobicContact CG-CG1 4.17Å; R155-D529 IonicContact CZ-OD1 3.4Å; R155-D529 IonicContact CZ-OD2 3.52Å; R155-D529 IonicContact NE-OD1 3.21Å; R155-D529 PolarHBondContact NE-OD1 2.92Å; R155-D529 IonicContact NE-OD2 2.68Å; R155-D529 IonicContact NH2-OD1 2.87Å; R155-D529 IonicContact NH2-OD2 2.82Å; R155-D529 PolarHBondContact NH2-OD2 2.92Å
156	A	98.9	Very high	98.7	Very high	1 Å²	1	21 Å²	21	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-43.2	175.3	0	0	0	0	0	112.1	T121 M132 I134 K152 Q153 I159 A160	T121-A156 HydrophobicContact CG2-CB 3.78Å; M132-A156 HydrophobicContact CE-CB 4.45Å; M132-A156 WeakPolarHBondContact CE-O 3.4Å; M132-A156 HydrophobicContact CG-CB 4.36Å; M132-A156 HydrophobicContact SD-CB 3.82Å; I134-A156 HydrophobicContact CD1-CB 4.12Å; I134-A156 HydrophobicContact CG1-CB 4.08Å; K152-A156 PolarHBondContact O-N 3.42Å; Q153-A156 WeakPolarHBondContact O-CB 3.49Å; Q153-A156 PolarHBondContact O-N 2.74Å; A156-I159 PolarHBondContact O-N 3.29Å; A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.97Å
157	Q	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-35.5	175	-70.6	-177.2	-35.9	0	0	112.7	I134 Q153 L154 R155 A160 M161 Y169 L194 N197 M201	I134-Q157 HydrophobicContact CD1-CG 4.38Å; Q153-Q157 PolarHBondContact O-N 2.99Å; L154-Q157 PolarHBondContact O-N 3.16Å; R155-Q157 PolarHBondContact O-N 2.86Å; Q157-A160 PolarHBondContact O-N 3.01Å; Q157-M161 VanDerWaalsContact O-CB 3.28Å; Q157-M161 WeakPolarHBondContact O-CB 3.33Å; Q157-M161 PolarHBondContact O-N 3.03Å; Q157-Y169 PolarHBondContact NE2-OH 2.83Å; Q157-Y169 VanDerWaalsContact NE2-OH 3.11Å; Q157-L194 PolarHBondContact NE2-O 2.81Å; Q157-N197 HydrophobicContact CB-CB 4.29Å; Q157-N197 VanDerWaalsContact OE1-CB 3.3Å; Q157-N197 PolarHBondContact OE1-ND2 3.4Å; Q157-N197 VanDerWaalsContact OE1-ND2 3.07Å; Q157-M201 HydrophobicContact CB-CE 3.95Å; Q157-M201 HydrophobicContact CG-CE 3.88Å
158	E	98.9	Very high	98.8	Very high	57 Å²	57	19.7 Å²	19.7	27%	0.266	9%	0.087	S	C	.	.	H	α-helix	trans	-61.3	-48.1	173.8	-172.1	-166.1	175.7	0	0	110.9	L154 R155 A160 M161 Q162	L154-E158 WeakPolarHBondContact O-CB 3.43Å; L154-E158 PolarHBondContact O-N 2.83Å; R155-E158 WeakPolarHBondContact CD-OE2 3.42Å; R155-E158 IonicContact CZ-OE2 2.71Å; R155-E158 IonicContact NH1-OE1 3.94Å; R155-E158 PolarHBondContact NH1-OE1 2.85Å; R155-E158 IonicContact NH1-OE2 3.63Å; R155-E158 PolarHBondContact NH1-OE2 3.17Å; R155-E158 WeakPolarHBondContact O-CB 3.47Å; R155-E158 PolarHBondContact O-N 2.77Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.14Å; E158-M161 PolarHBondContact O-N 3.08Å; E158-Q162 HydrophobicContact CG-CG 4.47Å; E158-Q162 WeakPolarHBondContact O-CB 3.22Å; E158-Q162 VanDerWaalsContact O-CG 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.46Å; E158-Q162 PolarHBondContact O-N 2.99Å; E158-Q162 PolarHBondContact OE1-NE2 2.9Å
159	I	98.9	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-45.6	174.9	-70	169.3	0	0	0	110.2	L100 I123 M132 R155 A156 M161 N163 L165 F461	L100-I159 HydrophobicContact CD1-CD1 3.65Å; L100-I159 HydrophobicContact CD2-CD1 4.49Å; I123-I159 HydrophobicContact CD1-CG2 4.18Å; M132-I159 HydrophobicContact CE-CB 3.94Å; M132-I159 HydrophobicContact CE-CG2 3.56Å; R155-I159 HydrophobicContact CG-CD1 4.19Å; R155-I159 WeakPolarHBondContact O-CG1 3.43Å; R155-I159 PolarHBondContact O-N 3.16Å; A156-I159 PolarHBondContact O-N 3.29Å; I159-M161 PolarHBondContact O-N 3.06Å; I159-N163 WeakPolarHBondContact CG2-ND2 3.33Å; I159-N163 VanDerWaalsContact O-CB 3.27Å; I159-N163 WeakPolarHBondContact O-CB 3.38Å; I159-N163 PolarHBondContact O-N 2.92Å; I159-N163 PolarHBondContact O-ND2 3.2Å; I159-L165 HydrophobicContact CG2-CD1 4.33Å; I159-F461 HydrophobicContact CD1-CD1 4.3Å; I159-F461 HydrophobicContact CD1-CE1 4.2Å; I159-F461 HydrophobicContact CG2-CE1 3.63Å; I159-F461 HydrophobicContact CG2-CZ 3.75Å
160	A	98.9	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-44.9	178.9	0	0	0	0	0	112.3	M132 A156 Q157 E158 N163 R164 L165 C167 M201	M132-A160 HydrophobicContact CB-CB 3.77Å; M132-A160 HydrophobicContact CG-CB 4.01Å; A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.97Å; Q157-A160 PolarHBondContact O-N 3.01Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.14Å; A160-N163 CarbonylContact O-C 3.48Å; A160-R164 WeakPolarHBondContact O-CA 3.5Å; A160-R164 PolarHBondContact O-N 3.33Å; A160-L165 HydrophobicContact CB-CB 4.3Å; A160-L165 PolarHBondContact O-N 3.1Å; A160-C167 WeakPolarHBondContact CB-SG 3.22Å; A160-M201 HydrophobicContact CB-SD 4.07Å
161	M	98.7	Very high	98.8	Very high	53 Å²	53	19.8 Å²	19.8	26%	0.261	9%	0.087	S	C	.	.	H	α-helix	trans	-65.8	-46.7	179.4	-176.9	175.1	55	0	0	111.9	Q157 E158 I159 N163 I200 M201	Q157-M161 VanDerWaalsContact O-CB 3.28Å; Q157-M161 WeakPolarHBondContact O-CB 3.33Å; Q157-M161 PolarHBondContact O-N 3.03Å; E158-M161 PolarHBondContact O-N 3.08Å; I159-M161 PolarHBondContact O-N 3.06Å; M161-N163 VanDerWaalsContact C-N 3.31Å; M161-N163 PolarHBondContact O-N 2.65Å; M161-I200 HydrophobicContact SD-CG2 4.22Å; M161-M201 HydrophobicContact CB-CG 3.9Å; M161-M201 HydrophobicContact CB-SD 3.91Å; M161-M201 HydrophobicContact CG-CG 4.13Å
162	Q	98.4	Very high	98.7	Very high	44 Å²	44	15.6 Å²	15.6	21%	0.206	7%	0.07	C	C	.	.	H	α-helix	trans	-63.7	-39.7	180	-73.9	174.3	-2.9	0	0	111.2	E158 R460 A551	E158-Q162 HydrophobicContact CG-CG 4.47Å; E158-Q162 WeakPolarHBondContact O-CB 3.22Å; E158-Q162 VanDerWaalsContact O-CG 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.46Å; E158-Q162 PolarHBondContact O-N 2.99Å; E158-Q162 PolarHBondContact OE1-NE2 2.9Å; Q162-R460 PolarHBondContact O-NH1 2.88Å; Q162-A551 WeakPolarHBondContact O-CB 3.43Å
163	N	98.7	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-100.1	6.6	-173.6	-55.1	-56.7	0	0	0	113.5	I159 A160 M161 L165 R460 A548 N550 A551	I159-N163 WeakPolarHBondContact CG2-ND2 3.33Å; I159-N163 VanDerWaalsContact O-CB 3.27Å; I159-N163 WeakPolarHBondContact O-CB 3.38Å; I159-N163 PolarHBondContact O-N 2.92Å; I159-N163 PolarHBondContact O-ND2 3.2Å; A160-N163 CarbonylContact O-C 3.48Å; M161-N163 VanDerWaalsContact C-N 3.31Å; M161-N163 PolarHBondContact O-N 2.65Å; N163-L165 HydrophobicContact CB-CD1 4.19Å; N163-L165 HydrophobicContact CB-CD2 4.41Å; N163-L165 HydrophobicContact CB-CG 3.97Å; N163-L165 PolarHBondContact O-N 3.16Å; N163-R460 WeakPolarHBondContact OD1-CD 3.38Å; N163-R460 PolarHBondContact OD1-NH1 3.26Å; N163-A548 VanDerWaalsContact OD1-CA 3.26Å; N163-A548 WeakPolarHBondContact OD1-CA 3.32Å; N163-A548 WeakPolarHBondContact OD1-CB 3.3Å; N163-N550 WeakPolarHBondContact O-CB 3.48Å; N163-A551 PolarHBondContact O-N 2.6Å
164	R	98.4	Very high	98.2	Very high	120 Å²	120	17.9 Å²	17.9	45%	0.453	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	48.5	-178.7	-62.1	-168.2	178.9	-160.6	-0.5	114.2	A160 I206 Y296 A551	A160-R164 WeakPolarHBondContact O-CA 3.5Å; A160-R164 PolarHBondContact O-N 3.33Å; R164-I206 HydrophobicContact CB-CD1 4.49Å; R164-I206 HydrophobicContact CB-CG1 4.49Å; R164-I206 HydrophobicContact CG-CD1 4.24Å; R164-I206 HydrophobicContact CG-CG1 4.49Å; R164-Y296 PolarHBondContact O-OH 3.08Å; R164-A551 HydrophobicContact CB-CB 4.38Å; R164-A551 HydrophobicContact CG-CB 3.95Å
165	L	98.9	Very high	97.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-94.7	124.6	177.3	-52.5	174.2	0	0	0	109.6	I123 E130 M132 I159 A160 N163 C167 I206 A547 N550	I123-L165 HydrophobicContact CD1-CD1 3.57Å; I123-L165 HydrophobicContact CG1-CD1 3.89Å; I123-L165 HydrophobicContact CG2-CD1 4.44Å; E130-L165 HydrophobicContact CB-CD2 4.2Å; M132-L165 HydrophobicContact CB-CB 4.23Å; M132-L165 HydrophobicContact CE-CD1 4.34Å; I159-L165 HydrophobicContact CG2-CD1 4.33Å; A160-L165 HydrophobicContact CB-CB 4.3Å; A160-L165 PolarHBondContact O-N 3.1Å; N163-L165 HydrophobicContact CB-CD1 4.19Å; N163-L165 HydrophobicContact CB-CD2 4.41Å; N163-L165 HydrophobicContact CB-CG 3.97Å; N163-L165 PolarHBondContact O-N 3.16Å; L165-C167 PolarHBondContact O-N 3.26Å; L165-I206 WeakPolarHBondContact O-CG2 3.36Å; L165-A547 HydrophobicContact CD2-CB 4.49Å; L165-N550 HydrophobicContact CD2-CB 4.27Å
166	P	98.9	Very high	97.7	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.019	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-52.6	137.7	167.2	-27.6	37.3	0	0	0	111.1	V129 C131 M132 A207 L294 Y296	V129-P166 HydrophobicContact CG1-CG 3.99Å; C131-P166 CarbonylContact C-O 3.49Å; C131-P166 VanDerWaalsContact CA-O 3.32Å; C131-P166 WeakPolarHBondContact CA-O 3.23Å; C131-P166 WeakPolarHBondContact CB-O 3.18Å; M132-P166 PolarHBondContact N-O 3.37Å; P166-A207 WeakPolarHBondContact CA-O 3.37Å; P166-A207 HydrophobicContact CB-CB 4.28Å; P166-L294 HydrophobicContact CB-CD1 4.03Å; P166-L294 HydrophobicContact CG-CD1 4Å; P166-Y296 HydrophobicContact CG-CD2 3.98Å; P166-Y296 HydrophobicContact CG-CE2 3.88Å
167	C	98.9	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.3	-178	-66.9	0	0	0	0	110.7	M132 A160 L165 Y169 A207 I209	M132-C167 CarbonylContact O-C 3.57Å; M132-C167 WeakPolarHBondContact O-CA 3.08Å; A160-C167 WeakPolarHBondContact CB-SG 3.22Å; L165-C167 PolarHBondContact O-N 3.26Å; C167-Y169 HydrophobicContact CB-CD2 4.43Å; C167-Y169 HydrophobicContact CB-CE2 3.64Å; C167-A207 PolarHBondContact N-O 3.14Å; C167-I209 PolarHBondContact O-N 3.35Å
168	I	98.9	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.7	173	-59.5	168.4	0	0	0	108.3	L90 V126 C131 M132 I133 I134 L170 I209 V211 T287 V291	L90-I168 HydrophobicContact CD2-CD1 4.19Å; L90-I168 HydrophobicContact CD2-CG2 3.95Å; V126-I168 HydrophobicContact CB-CD1 4.31Å; V126-I168 HydrophobicContact CG1-CD1 4.34Å; V126-I168 HydrophobicContact CG2-CD1 3.9Å; C131-I168 HydrophobicContact CB-CD1 3.84Å; C131-I168 HydrophobicContact CB-CG1 4.38Å; M132-I168 PolarHBondContact O-N 3.49Å; I133-I168 WeakPolarHBondContact CA-O 3.43Å; I133-I168 HydrophobicContact CG1-CB 4.47Å; I133-I168 HydrophobicContact CG1-CD1 4.48Å; I134-I168 PolarHBondContact N-O 2.9Å; I168-L170 HydrophobicContact CG2-CD2 3.83Å; I168-L170 HydrophobicContact CG2-CG 4.47Å; I168-I209 CarbonylContact C-O 3.44Å; I168-I209 WeakPolarHBondContact CA-O 3.24Å; I168-I209 HydrophobicContact CG1-CB 4.37Å; I168-I209 HydrophobicContact CG1-CD1 4.16Å; I168-V211 HydrophobicContact CG2-CG2 4.32Å; I168-T287 HydrophobicContact CD1-CG2 4.08Å; I168-T287 HydrophobicContact CG1-CG2 4.32Å; I168-T287 HydrophobicContact CG2-CG2 3.75Å; I168-V291 HydrophobicContact CD1-CG2 3.96Å
169	Y	98.9	Very high	97.2	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	106.9	178.6	-54.5	-85.8	0	0	0	109.9	I134 Q157 C167 A171 Q208 I209 V211 V223	I134-Y169 HydrophobicContact CB-CD1 3.98Å; I134-Y169 HydrophobicContact CB-CE1 4.47Å; I134-Y169 HydrophobicContact CD1-CD1 3.8Å; I134-Y169 HydrophobicContact CD1-CE1 3.4Å; I134-Y169 HydrophobicContact CG1-CD1 4.48Å; I134-Y169 HydrophobicContact CG2-CD1 4.12Å; I134-Y169 CarbonylContact O-C 3.49Å; I134-Y169 WeakPolarHBondContact O-CA 3.43Å; Q157-Y169 PolarHBondContact NE2-OH 2.83Å; Q157-Y169 VanDerWaalsContact NE2-OH 3.11Å; C167-Y169 HydrophobicContact CB-CD2 4.43Å; C167-Y169 HydrophobicContact CB-CE2 3.64Å; Y169-A171 PolarHBondContact O-N 3.27Å; Y169-Q208 HydrophobicContact CE2-CB 4.42Å; Y169-Q208 PolarHBondContact OH-OE1 2.82Å; Y169-I209 WeakPolarHBondContact CD2-O 3.43Å; Y169-I209 PolarHBondContact N-O 3.37Å; Y169-V211 PolarHBondContact O-N 3.24Å; Y169-V223 HydrophobicContact CD1-CG1 4.15Å; Y169-V223 HydrophobicContact CD2-CG1 4.22Å; Y169-V223 HydrophobicContact CG-CG1 3.8Å
170	L	98.8	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	86.5	170.6	-50	-176	0	0	0	108.1	R86 I87 L90 I133 I134 A135 N136 I168 V211 M213 L284	R86-L170 HydrophobicContact CB-CD1 3.91Å; I87-L170 HydrophobicContact CG1-CD1 4.3Å; L90-L170 HydrophobicContact CD2-CD1 4.35Å; L90-L170 HydrophobicContact CD2-CD2 4.34Å; I133-L170 HydrophobicContact CG2-CD1 4.34Å; I134-L170 PolarHBondContact O-N 3.24Å; A135-L170 HydrophobicContact CB-CB 3.86Å; A135-L170 HydrophobicContact CB-CD1 4.01Å; A135-L170 HydrophobicContact CB-CG 4.25Å; N136-L170 PolarHBondContact N-O 3.46Å; N136-L170 VanDerWaalsContact N-O 3.13Å; I168-L170 HydrophobicContact CG2-CD2 3.83Å; I168-L170 HydrophobicContact CG2-CG 4.47Å; L170-V211 HydrophobicContact CD2-CB 3.77Å; L170-V211 HydrophobicContact CD2-CG1 4.38Å; L170-V211 HydrophobicContact CD2-CG2 3.71Å; L170-M213 HydrophobicContact CB-SD 4.22Å; L170-M213 HydrophobicContact CD2-SD 4.17Å; L170-L284 HydrophobicContact CD1-CD2 4.46Å; L170-L284 HydrophobicContact CD2-CD2 4.15Å
171	A	98.2	Very high	96.9	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123	-169.1	0	0	0	0	0	112	Y169 V211 V212 M213	Y169-A171 PolarHBondContact O-N 3.27Å; A171-V211 PolarHBondContact N-O 3.02Å; A171-V212 HydrophobicContact CB-CG2 4.49Å; A171-M213 PolarHBondContact O-N 2.98Å
172	D	97.4	Very high	96.8	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	72.7	-179.9	-163.4	-3.3	0	0	0	109.9	H75 K80 R86 N136 A138 G214	H75-D172 IonicContact CE1-OD2 3.66Å; K80-D172 WeakPolarHBondContact CE-OD2 3.45Å; K80-D172 IonicContact NZ-OD1 3.56Å; K80-D172 PolarHBondContact NZ-OD1 3.21Å; K80-D172 IonicContact NZ-OD2 3.64Å; K80-D172 PolarHBondContact NZ-OD2 2.71Å; R86-D172 IonicContact CZ-OD2 2.73Å; R86-D172 IonicContact NH1-OD2 3.5Å; R86-D172 PolarHBondContact NH1-OD2 2.7Å; R86-D172 IonicContact NH2-OD2 3.92Å; R86-D172 PolarHBondContact NH2-OD2 3.15Å; N136-D172 HydrophobicContact CB-CB 4.43Å; N136-D172 VanDerWaalsContact CB-O 3.31Å; N136-D172 WeakPolarHBondContact CB-O 3.33Å; N136-D172 PolarHBondContact OD1-N 3.05Å; A138-D172 HydrophobicContact CB-CB 4.33Å; D172-G214 WeakPolarHBondContact OD1-CA 3.2Å
173	S	94.6	Very high	96.7	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.8	-169.2	178.8	0	0	0	0	113.3	G143 Y145 G175 S215	G143-S173 WeakPolarHBondContact O-CB 3.37Å; G143-S173 PolarHBondContact O-OG 3Å; Y145-S173 WeakPolarHBondContact CD2-OG 3.31Å; Y145-S173 WeakPolarHBondContact CE2-OG 3.12Å; S173-G175 PolarHBondContact O-N 3.19Å; S173-G175 PolarHBondContact OG-N 2.88Å; S173-G175 VanDerWaalsContact OG-N 3.14Å; S173-S215 CarbonylContact C-O 3.56Å; S173-S215 PolarHBondContact N-O 2.87Å; S173-S215 CarbonylContact O-C 3.5Å; S173-S215 PolarHBondContact O-OG 3.47Å
174	G	91.5	Very high	96.6	Very high	41 Å²	41	39.5 Å²	39.5	42%	0.423	22%	0.221	S	C	.	.			trans	-71.8	0.5	170.3	0	0	0	0	0	115.4	G142 T217	G142-G174 PolarHBondContact O-N 3.41Å; G174-T217 WeakPolarHBondContact O-CG2 3.5Å
175	G	92.4	Very high	96.6	Very high	6 Å²	6	40.7 Å²	40.7	6%	0.062	23%	0.23	C	C	.	.			trans	101.1	-155.8	-178.5	0	0	0	0	0	113.5	T144 Y145 S173	T144-G175 CarbonylContact C-O 3.56Å; T144-G175 WeakPolarHBondContact CA-O 3.39Å; Y145-G175 PolarHBondContact N-O 3.29Å; S173-G175 PolarHBondContact O-N 3.19Å; S173-G175 PolarHBondContact OG-N 2.88Å; S173-G175 VanDerWaalsContact OG-N 3.14Å
176	A	95.1	Very high	96.4	Very high	35 Å²	35	44.6 Å²	44.6	29%	0.289	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-77.8	146.5	178.8	0	0	0	0	0	112.1	L178 V184	A176-L178 PolarHBondContact O-N 3.02Å; A176-V184 HydrophobicContact CB-CG1 3.89Å
177	Y	95.3	Very high	96.4	Very high	47 Å²	47	49.8 Å²	49.8	18%	0.184	29%	0.29	C	S	.	.			trans	-73.8	96.4	171	-173.1	-118.1	0	0	0	110.1	E112 Y145 Y146 P179 R180 Q181	E112-Y177 PolarHBondContact OE1-OH 2.92Å; E112-Y177 PolarHBondContact OE2-OH 3.47Å; Y145-Y177 VanDerWaalsContact O-CB 3.32Å; Y145-Y177 WeakPolarHBondContact O-CB 3.05Å; Y145-Y177 PolarHBondContact O-N 3.41Å; Y146-Y177 AromaticContact CD1-CD1 4Å; Y146-Y177 HydrophobicContact CD1-CD1 4Å; Y146-Y177 HydrophobicContact CD1-CE1 4.38Å; Y146-Y177 HydrophobicContact CD1-CG 4.47Å; Y146-Y177 HydrophobicContact CD2-CD1 4.49Å; Y146-Y177 HydrophobicContact CD2-CG 4.16Å; Y146-Y177 AromaticContact CE1-CD1 3.62Å; Y146-Y177 HydrophobicContact CE1-CD1 3.62Å; Y146-Y177 AromaticContact CE1-CE1 3.62Å; Y146-Y177 HydrophobicContact CE1-CE1 3.62Å; Y146-Y177 HydrophobicContact CE1-CG 4.12Å; Y146-Y177 HydrophobicContact CE2-CD1 4.14Å; Y146-Y177 AromaticContact CE2-CD2 3.87Å; Y146-Y177 HydrophobicContact CE2-CD2 3.87Å; Y146-Y177 HydrophobicContact CE2-CE2 4.35Å; Y146-Y177 AromaticContact CE2-CG 3.76Å; Y146-Y177 HydrophobicContact CE2-CG 3.76Å; Y146-Y177 HydrophobicContact CG-CD1 4.42Å; Y146-Y177 HydrophobicContact CG-CG 4.49Å; Y146-Y177 AromaticContact CZ-CD1 3.7Å; Y146-Y177 AromaticContact CZ-CD2 3.83Å; Y146-Y177 AromaticContact CZ-CE1 3.72Å; Y146-Y177 AromaticContact CZ-CE2 3.89Å; Y146-Y177 AromaticContact CZ-CG 3.74Å; Y146-Y177 AromaticContact CZ-CZ 3.81Å; Y146-Y177 WeakPolarHBondContact OH-CE2 3.33Å; Y177-P179 VanDerWaalsContact C-CD 3.42Å; Y177-P179 HydrophobicContact CD1-CB 4.32Å; Y177-P179 HydrophobicContact CD1-CG 4.37Å; Y177-P179 HydrophobicContact CE1-CB 3.81Å; Y177-P179 HydrophobicContact CE1-CG 3.88Å; Y177-P179 HydrophobicContact CE2-CG 4.01Å; Y177-R180 HydrophobicContact CD1-CB 4.05Å; Y177-R180 HydrophobicContact CD1-CG 3.89Å; Y177-R180 HydrophobicContact CE1-CG 4.08Å; Y177-R180 CarbonylContact O-C 3.54Å; Y177-R180 PolarHBondContact O-N 2.84Å; Y177-Q181 PolarHBondContact O-N 2.75Å
178	L	94.6	Very high	96.3	Very high	135 Å²	135	58 Å²	58	71%	0.707	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-53	-39.7	-170.6	-60	178.8	0	0	0	115.1	A176 R180 Q181	A176-L178 PolarHBondContact O-N 3.02Å; L178-R180 PolarHBondContact O-N 3.1Å; L178-R180 VanDerWaalsContact O-N 3.08Å; L178-Q181 WeakPolarHBondContact O-CB 3.29Å; L178-Q181 WeakPolarHBondContact O-CG 3.49Å; L178-Q181 PolarHBondContact O-N 3.37Å; L178-Q181 VanDerWaalsContact O-N 3.11Å
179	P	95.9	Very high	96.3	Very high	102 Å²	102	61.2 Å²	61.2	66%	0.662	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-59.7	-21.9	178.1	-26.6	36.9	0	0	0	114.4	Y177	Y177-P179 VanDerWaalsContact C-CD 3.42Å; Y177-P179 HydrophobicContact CD1-CB 4.32Å; Y177-P179 HydrophobicContact CD1-CG 4.37Å; Y177-P179 HydrophobicContact CE1-CB 3.81Å; Y177-P179 HydrophobicContact CE1-CG 3.88Å; Y177-P179 HydrophobicContact CE2-CG 4.01Å
180	R	95.7	Very high	96.3	Very high	67 Å²	67	62.6 Å²	62.6	25%	0.253	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-115	24.3	178.6	-63.3	-176.7	177.1	-92	2.1	112.8	P147 Y177 L178 A182 D183 V184	P147-R180 HydrophobicContact CG-CB 4.18Å; Y177-R180 HydrophobicContact CD1-CB 4.05Å; Y177-R180 HydrophobicContact CD1-CG 3.89Å; Y177-R180 HydrophobicContact CE1-CG 4.08Å; Y177-R180 CarbonylContact O-C 3.54Å; Y177-R180 PolarHBondContact O-N 2.84Å; L178-R180 PolarHBondContact O-N 3.1Å; L178-R180 VanDerWaalsContact O-N 3.08Å; R180-A182 PolarHBondContact O-N 3.02Å; R180-A182 VanDerWaalsContact O-N 3.09Å; R180-D183 PolarHBondContact O-N 3.07Å; R180-V184 WeakPolarHBondContact O-CG2 3.26Å; R180-V184 PolarHBondContact O-N 3.07Å
181	Q	96.5	Very high	96.2	Very high	100 Å²	100	63.1 Å²	63.1	47%	0.467	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.7	-173.5	67.9	78	25	0	0	114.1	Y177 L178 D183 V184 F185	Y177-Q181 PolarHBondContact O-N 2.75Å; L178-Q181 WeakPolarHBondContact O-CB 3.29Å; L178-Q181 WeakPolarHBondContact O-CG 3.49Å; L178-Q181 PolarHBondContact O-N 3.37Å; L178-Q181 VanDerWaalsContact O-N 3.11Å; Q181-D183 VanDerWaalsContact C-N 3.26Å; Q181-D183 PolarHBondContact O-N 2.81Å; Q181-V184 PolarHBondContact O-N 3.46Å; Q181-F185 WeakPolarHBondContact O-CB 3.39Å; Q181-F185 PolarHBondContact O-N 3.11Å
182	A	97	Very high	96.2	Very high	59 Å²	59	65 Å²	65	49%	0.488	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-37.2	-179.9	0	0	0	0	0	112	R180 V184 H190	R180-A182 PolarHBondContact O-N 3.02Å; R180-A182 VanDerWaalsContact O-N 3.09Å; A182-V184 VanDerWaalsContact C-N 3.29Å; A182-V184 PolarHBondContact O-N 3.07Å; A182-H190 PolarHBondContact O-CE1 3.18Å
183	D	96.1	Very high	96.2	Very high	88 Å²	88	68.2 Å²	68.2	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-89.7	7.7	178.9	-57.4	-36.1	0	0	0	112.6	P147 R180 Q181	P147-D183 HydrophobicContact CB-CB 4.09Å; P147-D183 HydrophobicContact CG-CB 3.56Å; R180-D183 PolarHBondContact O-N 3.07Å; Q181-D183 VanDerWaalsContact C-N 3.26Å; Q181-D183 PolarHBondContact O-N 2.81Å
184	V	96.9	Very high	96.4	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.006	37%	0.374	C	S	.	.	H	α-helix	trans	-124.2	-30	-176.5	173.4	0	0	0	0	112.1	P147 V150 A176 R180 Q181 A182 H190 F191	P147-V184 HydrophobicContact CG-CG2 3.88Å; V150-V184 HydrophobicContact CG2-CG1 3.97Å; A176-V184 HydrophobicContact CB-CG1 3.89Å; R180-V184 WeakPolarHBondContact O-CG2 3.26Å; R180-V184 PolarHBondContact O-N 3.07Å; Q181-V184 PolarHBondContact O-N 3.46Å; A182-V184 VanDerWaalsContact C-N 3.29Å; A182-V184 PolarHBondContact O-N 3.07Å; V184-H190 VanDerWaalsContact O-CB 3.23Å; V184-H190 WeakPolarHBondContact O-CB 3.32Å; V184-F191 HydrophobicContact CG1-CB 4.33Å; V184-F191 WeakPolarHBondContact O-CB 3.39Å; V184-F191 PolarHBondContact O-N 2.91Å
185	F	96.9	Very high	96.7	Very high	145 Å²	145	67 Å²	67	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-106	-51.5	-165.4	-177	-106.9	0	0	0	115.2	Q181 H190	Q181-F185 WeakPolarHBondContact O-CB 3.39Å; Q181-F185 PolarHBondContact O-N 3.11Å; F185-H190 PolarHBondContact N-ND1 2.89Å
186	A	96.1	Very high	97	Very high	82 Å²	82	72.2 Å²	72.2	68%	0.678	38%	0.378	S	S	*	.	S	Bend	trans	-86.7	-31.8	-155.6	0	0	0	0	0	117.6	H190	A186-H190 PolarHBondContact N-ND1 3.41Å
187	D	98	Very high	97.2	Very high	112 Å²	112	71.2 Å²	71.2	60%	0.599	37%	0.368	S	S	*	.	S	Bend	trans	-83.8	170.6	-169.6	-161.4	11.7	0	0	0	113.5	D189 H190	D187-D189 VanDerWaalsContact C-N 3.26Å; D187-D189 PolarHBondContact O-N 2.91Å; D187-H190 PolarHBondContact N-ND1 2.96Å; D187-H190 VanDerWaalsContact O-CB 3.28Å; D187-H190 WeakPolarHBondContact O-CB 3.16Å; D187-H190 PolarHBondContact O-N 3.39Å; D187-H190 VanDerWaalsContact O-N 3.13Å
188	R	98.1	Very high	97.4	Very high	171 Å²	171	69 Å²	69	65%	0.645	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-42.4	-177.6	-173.9	-167.2	75.9	-162.9	-1.7	113.1	R193	R188-R193 VanDerWaalsContact O-CB 3.28Å; R188-R193 WeakPolarHBondContact O-CB 3.13Å; R188-R193 WeakPolarHBondContact O-CD 3.17Å; R188-R193 WeakPolarHBondContact O-CG 3.24Å
189	D	97.7	Very high	97.6	Very high	69 Å²	69	64.6 Å²	64.6	37%	0.369	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	32.8	-175.6	-59.5	-27.5	0	0	0	111.3	L154 D187	L154-D189 HydrophobicContact CD1-CB 4.09Å; L154-D189 WeakPolarHBondContact CD1-O 3.43Å; D187-D189 VanDerWaalsContact C-N 3.26Å; D187-D189 PolarHBondContact O-N 2.91Å
190	H	98.5	Very high	97.7	Very high	33 Å²	33	62 Å²	62	15%	0.153	32%	0.323	C	S	.	.	S	Bend	trans	-100.6	-171.6	174.1	-77.3	-171.1	0	0	0	111.8	A182 V184 F185 A186 D187 G192 R193	A182-H190 PolarHBondContact O-CE1 3.18Å; V184-H190 VanDerWaalsContact O-CB 3.23Å; V184-H190 WeakPolarHBondContact O-CB 3.32Å; F185-H190 PolarHBondContact N-ND1 2.89Å; A186-H190 PolarHBondContact N-ND1 3.41Å; D187-H190 PolarHBondContact N-ND1 2.96Å; D187-H190 VanDerWaalsContact O-CB 3.28Å; D187-H190 WeakPolarHBondContact O-CB 3.16Å; D187-H190 PolarHBondContact O-N 3.39Å; D187-H190 VanDerWaalsContact O-N 3.13Å; H190-G192 VanDerWaalsContact C-N 3.25Å; H190-G192 PolarHBondContact O-N 2.81Å; H190-G192 VanDerWaalsContact O-N 3.07Å; H190-R193 WeakPolarHBondContact O-CB 3.37Å; H190-R193 PolarHBondContact O-N 3.44Å
191	F	97.1	Very high	97.9	Very high	12 Å²	12	58.8 Å²	58.8	5%	0.053	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.6	-167.1	-160.5	-116.2	0	0	0	114.3	Y145 V150 V184 R193 L194 F195	Y145-F191 AromaticContact CD1-CD2 3.88Å; Y145-F191 HydrophobicContact CD1-CD2 3.88Å; Y145-F191 AromaticContact CD1-CE2 3.45Å; Y145-F191 HydrophobicContact CD1-CE2 3.45Å; Y145-F191 VanDerWaalsContact CD1-CE2 3.45Å; Y145-F191 AromaticContact CD2-CE2 3.57Å; Y145-F191 HydrophobicContact CD2-CE2 3.57Å; Y145-F191 HydrophobicContact CD2-CZ 4.08Å; Y145-F191 HydrophobicContact CE1-CD2 4.34Å; Y145-F191 AromaticContact CE1-CE2 3.7Å; Y145-F191 HydrophobicContact CE1-CE2 3.7Å; Y145-F191 AromaticContact CE2-CE2 3.82Å; Y145-F191 HydrophobicContact CE2-CE2 3.82Å; Y145-F191 HydrophobicContact CE2-CZ 4.22Å; Y145-F191 HydrophobicContact CG-CD2 4.02Å; Y145-F191 AromaticContact CG-CE2 3.37Å; Y145-F191 HydrophobicContact CG-CE2 3.37Å; Y145-F191 HydrophobicContact CG-CZ 4.29Å; Y145-F191 AromaticContact CZ-CE2 3.88Å; V150-F191 HydrophobicContact CG2-CD2 4.05Å; V184-F191 HydrophobicContact CG1-CB 4.33Å; V184-F191 WeakPolarHBondContact O-CB 3.39Å; V184-F191 PolarHBondContact O-N 2.91Å; F191-R193 PolarHBondContact O-N 2.76Å; F191-L194 HydrophobicContact CD2-CD1 3.55Å; F191-L194 HydrophobicContact CE2-CD1 3.7Å; F191-L194 HydrophobicContact CG-CD1 4.25Å; F191-L194 VanDerWaalsContact O-CB 3.3Å; F191-L194 WeakPolarHBondContact O-CB 3.16Å; F191-L194 VanDerWaalsContact O-CG 3.25Å; F191-L194 WeakPolarHBondContact O-CG 3.38Å; F191-L194 PolarHBondContact O-N 3.13Å; F191-F195 HydrophobicContact CD1-CE2 4.17Å; F191-F195 AromaticContact CD1-CZ 3.93Å; F191-F195 HydrophobicContact CD1-CZ 3.93Å; F191-F195 HydrophobicContact CE1-CE2 4.45Å; F191-F195 AromaticContact CE1-CZ 3.8Å; F191-F195 HydrophobicContact CE1-CZ 3.8Å; F191-F195 HydrophobicContact CZ-CZ 4.48Å
192	G	98.1	Very high	98	Very high	42 Å²	42	56 Å²	56	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-25.7	177	0	0	0	0	0	114.4	H190 L194 F195 Y196	H190-G192 VanDerWaalsContact C-N 3.25Å; H190-G192 PolarHBondContact O-N 2.81Å; H190-G192 VanDerWaalsContact O-N 3.07Å; G192-L194 PolarHBondContact O-N 2.96Å; G192-F195 PolarHBondContact O-N 3.12Å; G192-Y196 PolarHBondContact O-N 2.83Å
193	R	98.6	Very high	98	Very high	76 Å²	76	57.6 Å²	57.6	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-24.9	178.8	-169.2	63.8	-178.6	-175.5	0.3	112.7	L154 R188 H190 F191 F195 Y196 N197	L154-R193 HydrophobicContact CD1-CB 4.24Å; L154-R193 HydrophobicContact CD1-CG 4.36Å; L154-R193 HydrophobicContact CD2-CB 3.66Å; L154-R193 HydrophobicContact CD2-CG 3.54Å; R188-R193 VanDerWaalsContact O-CB 3.28Å; R188-R193 WeakPolarHBondContact O-CB 3.13Å; R188-R193 WeakPolarHBondContact O-CD 3.17Å; R188-R193 WeakPolarHBondContact O-CG 3.24Å; H190-R193 WeakPolarHBondContact O-CB 3.37Å; H190-R193 PolarHBondContact O-N 3.44Å; F191-R193 PolarHBondContact O-N 2.76Å; R193-F195 VanDerWaalsContact C-N 3.3Å; R193-F195 PolarHBondContact O-N 2.86Å; R193-Y196 VanDerWaalsContact NH1-CD1 3.26Å; R193-Y196 PolarHBondContact O-N 3.43Å; R193-N197 PolarHBondContact NE-OD1 2.84Å; R193-N197 WeakPolarHBondContact O-CB 3.33Å; R193-N197 VanDerWaalsContact O-CG 3.29Å; R193-N197 PolarHBondContact O-N 2.93Å
194	L	98.3	Very high	98.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-45	175.6	-57.4	175.9	0	0	0	111	Y145 Q153 L154 Q157 F191 G192 Q198	Y145-L194 HydrophobicContact CE1-CD1 4.09Å; Q153-L194 HydrophobicContact CB-CD2 3.82Å; Q153-L194 HydrophobicContact CG-CD2 3.67Å; L154-L194 HydrophobicContact CD2-CD2 3.6Å; L154-L194 HydrophobicContact CD2-CG 4.35Å; L154-L194 HydrophobicContact CG-CD2 3.74Å; Q157-L194 PolarHBondContact NE2-O 2.81Å; F191-L194 HydrophobicContact CD2-CD1 3.55Å; F191-L194 HydrophobicContact CE2-CD1 3.7Å; F191-L194 HydrophobicContact CG-CD1 4.25Å; F191-L194 VanDerWaalsContact O-CB 3.3Å; F191-L194 WeakPolarHBondContact O-CB 3.16Å; F191-L194 VanDerWaalsContact O-CG 3.25Å; F191-L194 WeakPolarHBondContact O-CG 3.38Å; F191-L194 PolarHBondContact O-N 3.13Å; G192-L194 PolarHBondContact O-N 2.96Å; L194-Q198 WeakPolarHBondContact O-CB 3.45Å; L194-Q198 PolarHBondContact O-N 2.85Å
195	F	98.4	Very high	98.1	Very high	25 Å²	25	66.3 Å²	66.3	11%	0.11	35%	0.35	C	S	.	.	H	α-helix	trans	-73.2	-39.9	-179.6	-44.8	-48.3	0	0	0	111.8	F191 G192 R193 N197 Q198 A199 G219 Y222 V223 M226	F191-F195 HydrophobicContact CD1-CE2 4.17Å; F191-F195 AromaticContact CD1-CZ 3.93Å; F191-F195 HydrophobicContact CD1-CZ 3.93Å; F191-F195 HydrophobicContact CE1-CE2 4.45Å; F191-F195 AromaticContact CE1-CZ 3.8Å; F191-F195 HydrophobicContact CE1-CZ 3.8Å; F191-F195 HydrophobicContact CZ-CZ 4.48Å; G192-F195 PolarHBondContact O-N 3.12Å; R193-F195 VanDerWaalsContact C-N 3.3Å; R193-F195 PolarHBondContact O-N 2.86Å; F195-N197 VanDerWaalsContact C-N 3.35Å; F195-N197 PolarHBondContact O-N 2.82Å; F195-Q198 PolarHBondContact O-N 2.8Å; F195-A199 PolarHBondContact O-N 3.1Å; F195-G219 WeakPolarHBondContact CE1-O 3.46Å; F195-G219 WeakPolarHBondContact CZ-O 3.17Å; F195-Y222 HydrophobicContact CD2-CD2 4.34Å; F195-Y222 HydrophobicContact CE2-CD2 4.22Å; F195-V223 HydrophobicContact CD1-CG2 4.49Å; F195-V223 HydrophobicContact CE1-CG2 3.9Å; F195-M226 HydrophobicContact CB-CE 4.07Å; F195-M226 HydrophobicContact CB-SD 3.74Å; F195-M226 HydrophobicContact CG-SD 4.41Å; F195-M226 VanDerWaalsContact O-CE 3.29Å; F195-M226 WeakPolarHBondContact O-CE 3.37Å
196	Y	98.8	Very high	98.2	Very high	116 Å²	116	59.7 Å²	59.7	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-56.3	-50.6	173.1	174.4	-86.7	0	0	0	110.9	G192 R193 Q198 A199 I200	G192-Y196 PolarHBondContact O-N 2.83Å; R193-Y196 VanDerWaalsContact NH1-CD1 3.26Å; R193-Y196 PolarHBondContact O-N 3.43Å; Y196-Q198 VanDerWaalsContact C-N 3.31Å; Y196-Q198 PolarHBondContact O-N 3.37Å; Y196-A199 PolarHBondContact O-N 2.89Å; Y196-I200 HydrophobicContact CD1-CG1 4.1Å; Y196-I200 HydrophobicContact CE1-CG1 3.66Å; Y196-I200 HydrophobicContact CE2-CD1 4.43Å; Y196-I200 HydrophobicContact CE2-CG1 4.18Å; Y196-I200 VanDerWaalsContact O-CG1 3.31Å; Y196-I200 WeakPolarHBondContact O-CG1 3.38Å; Y196-I200 PolarHBondContact O-N 3.44Å
197	N	98.8	Very high	98.3	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-40.3	179.6	-72	-14.5	0	0	0	111.5	L154 Q157 R193 F195 I200 M201	L154-N197 WeakPolarHBondContact CD2-ND2 3.3Å; Q157-N197 HydrophobicContact CB-CB 4.29Å; Q157-N197 VanDerWaalsContact OE1-CB 3.3Å; Q157-N197 PolarHBondContact OE1-ND2 3.4Å; Q157-N197 VanDerWaalsContact OE1-ND2 3.07Å; R193-N197 PolarHBondContact NE-OD1 2.84Å; R193-N197 WeakPolarHBondContact O-CB 3.33Å; R193-N197 VanDerWaalsContact O-CG 3.29Å; R193-N197 PolarHBondContact O-N 2.93Å; F195-N197 VanDerWaalsContact C-N 3.35Å; F195-N197 PolarHBondContact O-N 2.82Å; N197-I200 PolarHBondContact O-N 2.84Å; N197-M201 HydrophobicContact CB-CE 4.34Å; N197-M201 WeakPolarHBondContact O-CB 3.4Å; N197-M201 VanDerWaalsContact O-CG 3.31Å; N197-M201 WeakPolarHBondContact O-CG 3.44Å; N197-M201 PolarHBondContact O-N 3.15Å
198	Q	98.7	Very high	98.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-48.9	177.2	-172.7	171.1	-35.9	0	0	111.8	L194 F195 Y196 I200 M201 S202 Q208 V223 M226	L194-Q198 WeakPolarHBondContact O-CB 3.45Å; L194-Q198 PolarHBondContact O-N 2.85Å; F195-Q198 PolarHBondContact O-N 2.8Å; Y196-Q198 VanDerWaalsContact C-N 3.31Å; Y196-Q198 PolarHBondContact O-N 3.37Å; Q198-I200 PolarHBondContact O-N 3.04Å; Q198-M201 PolarHBondContact O-N 3.27Å; Q198-S202 WeakPolarHBondContact O-CB 2.84Å; Q198-S202 PolarHBondContact O-N 3.47Å; Q198-Q208 HydrophobicContact CG-CB 4.05Å; Q198-Q208 HydrophobicContact CG-CG 3.77Å; Q198-V223 PolarHBondContact NE2-O 3.34Å; Q198-M226 PolarHBondContact NE2-O 2.89Å
199	A	98.8	Very high	98.4	Very high	44 Å²	44	43.2 Å²	43.2	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-41.9	176.1	0	0	0	0	0	112.7	F195 Y196 S203 M226	F195-A199 PolarHBondContact O-N 3.1Å; Y196-A199 PolarHBondContact O-N 2.89Å; A199-S203 PolarHBondContact O-N 3.12Å; A199-S203 PolarHBondContact O-OG 3.42Å; A199-M226 HydrophobicContact CB-CE 3.74Å
200	I	98.8	Very high	98.5	Very high	47 Å²	47	39.9 Å²	39.9	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-40.9	177.9	-66.9	-63.4	0	0	0	111.3	M161 Y196 N197 Q198 S203 K204	M161-I200 HydrophobicContact SD-CG2 4.22Å; Y196-I200 HydrophobicContact CD1-CG1 4.1Å; Y196-I200 HydrophobicContact CE1-CG1 3.66Å; Y196-I200 HydrophobicContact CE2-CD1 4.43Å; Y196-I200 HydrophobicContact CE2-CG1 4.18Å; Y196-I200 VanDerWaalsContact O-CG1 3.31Å; Y196-I200 WeakPolarHBondContact O-CG1 3.38Å; Y196-I200 PolarHBondContact O-N 3.44Å; N197-I200 PolarHBondContact O-N 2.84Å; Q198-I200 PolarHBondContact O-N 3.04Å; I200-S203 PolarHBondContact O-N 3.36Å; I200-S203 PolarHBondContact O-OG 2.9Å; I200-K204 HydrophobicContact CG2-CD 4.23Å; I200-K204 WeakPolarHBondContact O-CG 3.39Å; I200-K204 PolarHBondContact O-N 3.13Å
201	M	98.8	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-45.3	176.9	-75.8	-171.3	-68	0	0	111.9	Q157 A160 M161 N197 Q198 S203 K204 N205 I206	Q157-M201 HydrophobicContact CB-CE 3.95Å; Q157-M201 HydrophobicContact CG-CE 3.88Å; A160-M201 HydrophobicContact CB-SD 4.07Å; M161-M201 HydrophobicContact CB-CG 3.9Å; M161-M201 HydrophobicContact CB-SD 3.91Å; M161-M201 HydrophobicContact CG-CG 4.13Å; N197-M201 HydrophobicContact CB-CE 4.34Å; N197-M201 WeakPolarHBondContact O-CB 3.4Å; N197-M201 VanDerWaalsContact O-CG 3.31Å; N197-M201 WeakPolarHBondContact O-CG 3.44Å; N197-M201 PolarHBondContact O-N 3.15Å; Q198-M201 PolarHBondContact O-N 3.27Å; M201-S203 PolarHBondContact O-N 3.42Å; M201-K204 CarbonylContact O-C 3.59Å; M201-K204 WeakPolarHBondContact O-CA 3.49Å; M201-K204 PolarHBondContact O-N 3.35Å; M201-N205 PolarHBondContact O-N 2.76Å; M201-I206 CarbonylContact C-O 3.58Å; M201-I206 HydrophobicContact CB-CB 4.07Å; M201-I206 HydrophobicContact CB-CG2 4.41Å; M201-I206 HydrophobicContact CG-CD1 4.33Å; M201-I206 WeakPolarHBondContact O-CB 3.27Å; M201-I206 PolarHBondContact O-N 3.1Å
202	S	98.7	Very high	98.6	Very high	40 Å²	40	37.8 Å²	37.8	28%	0.28	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-47.6	174.1	173.2	0	0	0	0	111.5	Q198 K204 N205 D228	Q198-S202 WeakPolarHBondContact O-CB 2.84Å; Q198-S202 PolarHBondContact O-N 3.47Å; S202-K204 PolarHBondContact O-N 3.16Å; S202-K204 VanDerWaalsContact O-N 3.11Å; S202-N205 WeakPolarHBondContact O-CA 3.46Å; S202-N205 PolarHBondContact O-N 3.29Å; S202-D228 WeakPolarHBondContact CB-OD1 3.33Å; S202-D228 PolarHBondContact OG-OD1 2.66Å
203	S	98.5	Very high	98.6	Very high	94 Å²	94	35.8 Å²	35.8	66%	0.657	19%	0.189	S	C	*	.	H	α-helix	trans	-64.7	-18	176.6	66.8	0	0	0	0	114.8	A199 I200 M201 N205	A199-S203 PolarHBondContact O-N 3.12Å; A199-S203 PolarHBondContact O-OG 3.42Å; I200-S203 PolarHBondContact O-N 3.36Å; I200-S203 PolarHBondContact O-OG 2.9Å; M201-S203 PolarHBondContact O-N 3.42Å; S203-N205 VanDerWaalsContact C-N 3.33Å
204	K	97.9	Very high	98.5	Very high	117 Å²	117	32.2 Å²	32.2	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.9	171.8	-70.1	177	178.5	-175.9	0	113.1	I200 M201 S202 I206	I200-K204 HydrophobicContact CG2-CD 4.23Å; I200-K204 WeakPolarHBondContact O-CG 3.39Å; I200-K204 PolarHBondContact O-N 3.13Å; M201-K204 CarbonylContact O-C 3.59Å; M201-K204 WeakPolarHBondContact O-CA 3.49Å; M201-K204 PolarHBondContact O-N 3.35Å; S202-K204 PolarHBondContact O-N 3.16Å; S202-K204 VanDerWaalsContact O-N 3.11Å; K204-I206 VanDerWaalsContact C-N 3.27Å; K204-I206 HydrophobicContact CB-CD1 4.38Å; K204-I206 HydrophobicContact CB-CG1 4.4Å; K204-I206 PolarHBondContact O-N 3.17Å
205	N	97.2	Very high	98.3	Very high	154 Å²	154	34.1 Å²	34.1	82%	0.824	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	35.6	-176.6	-164.1	57.7	0	0	0	113	M201 S202 S203	M201-N205 PolarHBondContact O-N 2.76Å; S202-N205 WeakPolarHBondContact O-CA 3.46Å; S202-N205 PolarHBondContact O-N 3.29Å; S203-N205 VanDerWaalsContact C-N 3.33Å
206	I	98.6	Very high	98.1	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.036	19%	0.186	C	C	.	.			trans	-101.8	103.8	168.7	-56.9	171.1	0	0	0	106.4	R164 L165 M201 K204 Q208	R164-I206 HydrophobicContact CB-CD1 4.49Å; R164-I206 HydrophobicContact CB-CG1 4.49Å; R164-I206 HydrophobicContact CG-CD1 4.24Å; R164-I206 HydrophobicContact CG-CG1 4.49Å; L165-I206 WeakPolarHBondContact O-CG2 3.36Å; M201-I206 CarbonylContact C-O 3.58Å; M201-I206 HydrophobicContact CB-CB 4.07Å; M201-I206 HydrophobicContact CB-CG2 4.41Å; M201-I206 HydrophobicContact CG-CD1 4.33Å; M201-I206 WeakPolarHBondContact O-CB 3.27Å; M201-I206 PolarHBondContact O-N 3.1Å; K204-I206 VanDerWaalsContact C-N 3.27Å; K204-I206 HydrophobicContact CB-CD1 4.38Å; K204-I206 HydrophobicContact CB-CG1 4.4Å; K204-I206 PolarHBondContact O-N 3.17Å; I206-Q208 PolarHBondContact O-N 2.87Å; I206-Q208 PolarHBondContact O-NE2 2.88Å
207	A	98.8	Very high	97.8	Very high	16 Å²	16	28.9 Å²	28.9	13%	0.132	17%	0.172	C	C	.	.			trans	-57.9	136.7	-170.1	0	0	0	0	0	112.9	P166 C167 D228 L294	P166-A207 WeakPolarHBondContact CA-O 3.37Å; P166-A207 HydrophobicContact CB-CB 4.28Å; C167-A207 PolarHBondContact N-O 3.14Å; A207-D228 VanDerWaalsContact CA-OD2 3.26Å; A207-D228 WeakPolarHBondContact CA-OD2 3.36Å; A207-L294 HydrophobicContact CB-CD1 4.03Å; A207-L294 HydrophobicContact CB-CD2 3.55Å; A207-L294 HydrophobicContact CB-CG 4.42Å
208	Q	98.9	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.7	177.6	-55.6	-58.4	-66.2	0	0	108.9	Y169 Q198 I206 D228 E229	Y169-Q208 HydrophobicContact CE2-CB 4.42Å; Y169-Q208 PolarHBondContact OH-OE1 2.82Å; Q198-Q208 HydrophobicContact CG-CB 4.05Å; Q198-Q208 HydrophobicContact CG-CG 3.77Å; I206-Q208 PolarHBondContact O-N 2.87Å; I206-Q208 PolarHBondContact O-NE2 2.88Å; Q208-D228 PolarHBondContact N-OD2 3.13Å; Q208-D228 PolarHBondContact O-N 3.18Å; Q208-E229 PolarHBondContact O-N 3.17Å
209	I	98.9	Very high	96.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.4	-175.8	-55.2	163	0	0	0	108.6	C167 I168 Y169 E229 T287 V290 V291	C167-I209 PolarHBondContact O-N 3.35Å; I168-I209 CarbonylContact C-O 3.44Å; I168-I209 WeakPolarHBondContact CA-O 3.24Å; I168-I209 HydrophobicContact CG1-CB 4.37Å; I168-I209 HydrophobicContact CG1-CD1 4.16Å; Y169-I209 WeakPolarHBondContact CD2-O 3.43Å; Y169-I209 PolarHBondContact N-O 3.37Å; I209-E229 WeakPolarHBondContact CA-O 3.42Å; I209-T287 HydrophobicContact CG2-CG2 4.17Å; I209-V290 HydrophobicContact CD1-CB 4.45Å; I209-V290 HydrophobicContact CD1-CG1 3.58Å; I209-V290 HydrophobicContact CG1-CG1 3.75Å; I209-V290 HydrophobicContact CG2-CG1 4.21Å; I209-V291 HydrophobicContact CD1-CG2 3.7Å
210	A	98.8	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.2	176.5	0	0	0	0	0	111.6	P224 A227 E229 N230 I231	A210-P224 HydrophobicContact CB-CB 3.95Å; A210-A227 HydrophobicContact CB-CB 3.6Å; A210-E229 PolarHBondContact N-O 3.44Å; A210-N230 WeakPolarHBondContact O-CA 3.33Å; A210-I231 PolarHBondContact O-N 3.49Å
211	V	98.9	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	100.3	177	-163.7	0	0	0	0	107.6	I168 Y169 L170 A171 M213 I231 A283 T287	I168-V211 HydrophobicContact CG2-CG2 4.32Å; Y169-V211 PolarHBondContact O-N 3.24Å; L170-V211 HydrophobicContact CD2-CB 3.77Å; L170-V211 HydrophobicContact CD2-CG1 4.38Å; L170-V211 HydrophobicContact CD2-CG2 3.71Å; A171-V211 PolarHBondContact N-O 3.02Å; V211-M213 HydrophobicContact CB-CG 4.29Å; V211-M213 HydrophobicContact CB-SD 4.39Å; V211-M213 HydrophobicContact CG1-CG 3.66Å; V211-M213 HydrophobicContact CG1-SD 3.83Å; V211-M213 PolarHBondContact O-N 3.26Å; V211-I231 CarbonylContact C-O 3.49Å; V211-I231 WeakPolarHBondContact CA-O 3.17Å; V211-I231 HydrophobicContact CG1-CB 4.24Å; V211-I231 HydrophobicContact CG1-CG2 4.24Å; V211-I231 HydrophobicContact CG2-CD1 4.27Å; V211-A283 HydrophobicContact CG1-CB 3.78Å; V211-T287 HydrophobicContact CG2-CG2 4.11Å; V211-T287 WeakPolarHBondContact CG2-OG1 3.1Å
212	V	98.7	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	101	-178.8	-176.2	0	0	0	0	109.3	A171 G214 C216 P224 I231 I232 V233 I239	A171-V212 HydrophobicContact CB-CG2 4.49Å; V212-G214 WeakPolarHBondContact CG1-O 3.39Å; V212-C216 HydrophobicContact CG1-CB 4.13Å; V212-P224 HydrophobicContact CG2-CB 3.55Å; V212-P224 HydrophobicContact CG2-CG 3.78Å; V212-I231 PolarHBondContact N-O 2.59Å; V212-I232 HydrophobicContact CB-CB 4.3Å; V212-I232 HydrophobicContact CB-CG1 4.13Å; V212-I232 HydrophobicContact CG1-CD1 4.36Å; V212-I232 HydrophobicContact CG1-CG1 4.3Å; V212-V233 PolarHBondContact O-N 3.14Å; V212-I239 HydrophobicContact CG1-CG1 4.05Å; V212-I239 HydrophobicContact CG2-CD1 3.94Å; V212-I239 HydrophobicContact CG2-CG1 4.1Å
213	M	98.3	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	18.8	-174.3	-49.6	177.1	82.7	0	0	111.4	K80 R86 L170 A171 V211 V233 Q236 D280 A283 L284	K80-M213 WeakPolarHBondContact CE-O 3.41Å; R86-M213 HydrophobicContact CG-CE 3.88Å; R86-M213 HydrophobicContact CG-SD 4.33Å; R86-M213 VanDerWaalsContact CZ-CB 3.5Å; R86-M213 PolarHBondContact NH2-O 2.84Å; R86-M213 VanDerWaalsContact NH2-O 3.13Å; L170-M213 HydrophobicContact CB-SD 4.22Å; L170-M213 HydrophobicContact CD2-SD 4.17Å; A171-M213 PolarHBondContact O-N 2.98Å; V211-M213 HydrophobicContact CB-CG 4.29Å; V211-M213 HydrophobicContact CB-SD 4.39Å; V211-M213 HydrophobicContact CG1-CG 3.66Å; V211-M213 HydrophobicContact CG1-SD 3.83Å; V211-M213 PolarHBondContact O-N 3.26Å; M213-V233 HydrophobicContact CB-CG2 4.39Å; M213-V233 HydrophobicContact CG-CG2 4.2Å; M213-Q236 PolarHBondContact O-NE2 3.37Å; M213-D280 HydrophobicContact CE-CB 3.51Å; M213-D280 WeakPolarHBondContact CE-OD1 3.44Å; M213-A283 HydrophobicContact CE-CB 4.44Å; M213-L284 HydrophobicContact CE-CD2 4.07Å; M213-L284 HydrophobicContact CE-CG 4.19Å; M213-L284 HydrophobicContact SD-CD2 4.37Å
214	G	97	Very high	96	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	-150.5	177.5	0	0	0	0	0	111.3	D172 V212 Q236 G237 T238	D172-G214 WeakPolarHBondContact OD1-CA 3.2Å; V212-G214 WeakPolarHBondContact CG1-O 3.39Å; G214-Q236 WeakPolarHBondContact CA-O 3.43Å; G214-G237 WeakPolarHBondContact O-CA 3.47Å; G214-T238 PolarHBondContact O-N 3.35Å
215	S	94.8	Very high	96	Very high	39 Å²	39	23.9 Å²	23.9	27%	0.273	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.6	-179.5	176.4	0	0	0	0	111.3	S173	S173-S215 CarbonylContact C-O 3.56Å; S173-S215 PolarHBondContact N-O 2.87Å; S173-S215 CarbonylContact O-C 3.5Å; S173-S215 PolarHBondContact O-OG 3.47Å
216	C	94.1	Very high	96	Very high	6 Å²	6	19.7 Å²	19.7	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	87.7	172.7	-161.7	0	0	0	0	109.1	V212 G220 P224 T238 I239 F240	V212-C216 HydrophobicContact CG1-CB 4.13Å; C216-G220 PolarHBondContact SG-O 2.85Å; C216-P224 VanDerWaalsContact SG-CD 3.55Å; C216-T238 WeakPolarHBondContact CA-O 3.33Å; C216-T238 WeakPolarHBondContact CB-O 3.35Å; C216-T238 PolarHBondContact N-O 3.03Å; C216-I239 HydrophobicContact CB-CG1 4.33Å; C216-I239 WeakPolarHBondContact O-CA 3.36Å; C216-F240 PolarHBondContact O-N 3.15Å
217	T	91.3	Very high	96	Very high	25 Å²	25	20.2 Å²	20.2	15%	0.153	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.2	-167.4	-173.9	0	0	0	0	113.4	G174 G219 G220 F240	G174-T217 WeakPolarHBondContact O-CG2 3.5Å; T217-G219 PolarHBondContact O-N 3.41Å; T217-G220 PolarHBondContact O-N 3.09Å; T217-F240 CarbonylContact C-O 3.58Å; T217-F240 WeakPolarHBondContact CA-O 3.18Å; T217-F240 WeakPolarHBondContact OG1-CD2 3.2Å; T217-F240 VanDerWaalsContact OG1-CE2 3.29Å; T217-F240 WeakPolarHBondContact OG1-CE2 3.35Å
218	A	90.3	Very high	96	Very high	42 Å²	42	23 Å²	23	35%	0.347	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	54.3	-125.8	174.8	0	0	0	0	0	112.2	G220 A221 F240 L241	A218-G220 PolarHBondContact O-N 3.4Å; A218-A221 VanDerWaalsContact O-CB 3.24Å; A218-A221 WeakPolarHBondContact O-CB 3.31Å; A218-A221 PolarHBondContact O-N 3.21Å; A218-A221 VanDerWaalsContact O-N 3.1Å; A218-F240 PolarHBondContact N-O 3.02Å; A218-L241 VanDerWaalsContact CA-O 3.23Å; A218-L241 WeakPolarHBondContact CA-O 3.25Å
219	G	84.9	Confident	96	Very high	26 Å²	26	25.8 Å²	25.8	27%	0.268	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-56.9	-33.7	177.6	0	0	0	0	0	112.5	F195 T217 A221 Y222	F195-G219 WeakPolarHBondContact CE1-O 3.46Å; F195-G219 WeakPolarHBondContact CZ-O 3.17Å; T217-G219 PolarHBondContact O-N 3.41Å; G219-A221 PolarHBondContact O-N 3.05Å; G219-A221 VanDerWaalsContact O-N 3.17Å; G219-Y222 PolarHBondContact O-N 3.32Å; G219-Y222 VanDerWaalsContact O-N 3.13Å
220	G	89.9	Confident	96	Very high	7 Å²	7	25.8 Å²	25.8	7%	0.072	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-59.5	-29.5	179.6	0	0	0	0	0	113.1	C216 T217 A218 Y222 V223 P224	C216-G220 PolarHBondContact SG-O 2.85Å; T217-G220 PolarHBondContact O-N 3.09Å; A218-G220 PolarHBondContact O-N 3.4Å; G220-Y222 PolarHBondContact O-N 3.01Å; G220-V223 WeakPolarHBondContact O-CB 3.4Å; G220-V223 PolarHBondContact O-N 2.87Å; G220-P224 WeakPolarHBondContact O-CD 3.39Å
221	A	95.5	Very high	96	Very high	5 Å²	5	25.8 Å²	25.8	4%	0.041	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-58.7	-21	178.6	0	0	0	0	0	113.5	A218 G219 V223 P224 A225 I239 L241	A218-A221 VanDerWaalsContact O-CB 3.24Å; A218-A221 WeakPolarHBondContact O-CB 3.31Å; A218-A221 PolarHBondContact O-N 3.21Å; A218-A221 VanDerWaalsContact O-N 3.1Å; G219-A221 PolarHBondContact O-N 3.05Å; G219-A221 VanDerWaalsContact O-N 3.17Å; A221-V223 VanDerWaalsContact C-N 3.34Å; A221-P224 VanDerWaalsContact O-CD 3.3Å; A221-P224 WeakPolarHBondContact O-CD 3.02Å; A221-P224 WeakPolarHBondContact O-CG 3.37Å; A221-A225 WeakPolarHBondContact O-CB 2.98Å; A221-A225 PolarHBondContact O-N 3.03Å; A221-I239 HydrophobicContact CB-CG2 3.69Å; A221-L241 HydrophobicContact CB-CD2 4.42Å
222	Y	97.4	Very high	96	Very high	107 Å²	107	25.8 Å²	25.8	42%	0.42	16%	0.157	S	C	.	.	H	α-helix	trans	-73.6	-21.2	174.9	-69.1	-53.4	0	0	0	114	F195 G219 G220 A225 M226 L241	F195-Y222 HydrophobicContact CD2-CD2 4.34Å; F195-Y222 HydrophobicContact CE2-CD2 4.22Å; G219-Y222 PolarHBondContact O-N 3.32Å; G219-Y222 VanDerWaalsContact O-N 3.13Å; G220-Y222 PolarHBondContact O-N 3.01Å; Y222-A225 PolarHBondContact O-N 3.48Å; Y222-M226 VanDerWaalsContact O-CB 3.27Å; Y222-M226 WeakPolarHBondContact O-CB 3.04Å; Y222-M226 WeakPolarHBondContact O-CG 3.47Å; Y222-M226 PolarHBondContact O-N 3.09Å; Y222-L241 HydrophobicContact CE1-CD2 4.35Å; Y222-L241 HydrophobicContact CE2-CD2 4.23Å
223	V	97.3	Very high	96	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-55.5	173.9	177	0	0	0	0	110.8	Y169 F195 Q198 G220 A221 A227	Y169-V223 HydrophobicContact CD1-CG1 4.15Å; Y169-V223 HydrophobicContact CD2-CG1 4.22Å; Y169-V223 HydrophobicContact CG-CG1 3.8Å; F195-V223 HydrophobicContact CD1-CG2 4.49Å; F195-V223 HydrophobicContact CE1-CG2 3.9Å; Q198-V223 PolarHBondContact NE2-O 3.34Å; G220-V223 WeakPolarHBondContact O-CB 3.4Å; G220-V223 PolarHBondContact O-N 2.87Å; A221-V223 VanDerWaalsContact C-N 3.34Å; V223-A227 PolarHBondContact O-N 3.24Å
224	P	97.8	Very high	96	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.013	18%	0.176	C	C	.	.	H	α-helix	trans	-71.4	-37.1	175	26	-33.8	0	0	0	113.7	A210 V212 C216 G220 A221 M226 A227 N230 I239	A210-P224 HydrophobicContact CB-CB 3.95Å; V212-P224 HydrophobicContact CG2-CB 3.55Å; V212-P224 HydrophobicContact CG2-CG 3.78Å; C216-P224 VanDerWaalsContact SG-CD 3.55Å; G220-P224 WeakPolarHBondContact O-CD 3.39Å; A221-P224 VanDerWaalsContact O-CD 3.3Å; A221-P224 WeakPolarHBondContact O-CD 3.02Å; A221-P224 WeakPolarHBondContact O-CG 3.37Å; P224-M226 VanDerWaalsContact C-N 3.25Å; P224-M226 PolarHBondContact O-N 3.37Å; P224-A227 WeakPolarHBondContact O-CB 3.34Å; P224-A227 PolarHBondContact O-N 2.98Å; P224-N230 WeakPolarHBondContact CB-OD1 3.47Å; P224-I239 HydrophobicContact CB-CD1 3.93Å; P224-I239 HydrophobicContact CG-CD1 3.82Å; P224-I239 HydrophobicContact CG-CG1 4.03Å; P224-I239 HydrophobicContact CG-CG2 4.13Å
225	A	98.1	Very high	96	Very high	54 Å²	54	38.4 Å²	38.4	45%	0.446	21%	0.208	S	C	.	.	H	α-helix	trans	-70.1	-20.1	-175.8	0	0	0	0	0	114.2	A221 Y222 V272	A221-A225 WeakPolarHBondContact O-CB 2.98Å; A221-A225 PolarHBondContact O-N 3.03Å; Y222-A225 PolarHBondContact O-N 3.48Å; A225-V272 HydrophobicContact CB-CG1 4.49Å
226	M	98.3	Very high	96.1	Very high	66 Å²	66	38.5 Å²	38.5	33%	0.325	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	7.6	176.4	-62.4	178.2	56.5	0	0	112.6	F195 Q198 A199 Y222 P224	F195-M226 HydrophobicContact CB-CE 4.07Å; F195-M226 HydrophobicContact CB-SD 3.74Å; F195-M226 HydrophobicContact CG-SD 4.41Å; F195-M226 VanDerWaalsContact O-CE 3.29Å; F195-M226 WeakPolarHBondContact O-CE 3.37Å; Q198-M226 PolarHBondContact NE2-O 2.89Å; A199-M226 HydrophobicContact CB-CE 3.74Å; Y222-M226 VanDerWaalsContact O-CB 3.27Å; Y222-M226 WeakPolarHBondContact O-CB 3.04Å; Y222-M226 WeakPolarHBondContact O-CG 3.47Å; Y222-M226 PolarHBondContact O-N 3.09Å; P224-M226 VanDerWaalsContact C-N 3.25Å; P224-M226 PolarHBondContact O-N 3.37Å
227	A	98.4	Very high	96.2	Very high	17 Å²	17	38.2 Å²	38.2	14%	0.14	20%	0.203	C	C	.	.	S	Bend	trans	-77.2	153	176.5	0	0	0	0	0	109.5	A210 V223 P224 E229	A210-A227 HydrophobicContact CB-CB 3.6Å; V223-A227 PolarHBondContact O-N 3.24Å; P224-A227 WeakPolarHBondContact O-CB 3.34Å; P224-A227 PolarHBondContact O-N 2.98Å; A227-E229 VanDerWaalsContact C-N 3.33Å
228	D	98.6	Very high	96.5	Very high	74 Å²	74	37.7 Å²	37.7	40%	0.396	20%	0.199	S	C	.	.	S	Bend	trans	-69.7	-36.2	175.7	-55.2	-35.3	0	0	0	110.6	S202 A207 Q208	S202-D228 WeakPolarHBondContact CB-OD1 3.33Å; S202-D228 PolarHBondContact OG-OD1 2.66Å; A207-D228 VanDerWaalsContact CA-OD2 3.26Å; A207-D228 WeakPolarHBondContact CA-OD2 3.36Å; Q208-D228 PolarHBondContact N-OD2 3.13Å; Q208-D228 PolarHBondContact O-N 3.18Å
229	E	98.8	Very high	96.9	Very high	60 Å²	60	36 Å²	36	28%	0.28	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.5	170.1	-65.2	-169.6	-118.1	0	0	110.5	Q208 I209 A210 A227 H275 V290	Q208-E229 PolarHBondContact O-N 3.17Å; I209-E229 WeakPolarHBondContact CA-O 3.42Å; A210-E229 PolarHBondContact N-O 3.44Å; A227-E229 VanDerWaalsContact C-N 3.33Å; E229-H275 IonicContact OE2-CD2 3.15Å; E229-H275 IonicContact OE2-CE1 3.19Å; E229-H275 PolarHBondContact OE2-CE1 3.2Å; E229-H275 IonicContact OE2-NE2 3.7Å; E229-H275 PolarHBondContact OE2-NE2 2.84Å; E229-V290 HydrophobicContact CB-CG1 4.23Å; E229-V290 HydrophobicContact CB-CG2 4.47Å; E229-V290 HydrophobicContact CG-CG1 4.39Å; E229-V290 WeakPolarHBondContact OE1-CG1 3.5Å; E229-V290 WeakPolarHBondContact OE2-CG2 3.42Å
230	N	98.6	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124	-177.3	179.6	31.2	0	0	0	112	A210 P224 V272 D274 H275	A210-N230 WeakPolarHBondContact O-CA 3.33Å; P224-N230 WeakPolarHBondContact CB-OD1 3.47Å; N230-V272 PolarHBondContact ND2-O 2.83Å; N230-D274 PolarHBondContact N-OD2 3.14Å; N230-D274 PolarHBondContact O-N 2.58Å; N230-H275 PolarHBondContact O-N 2.99Å
231	I	98.9	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.9	175.9	-60.2	153.3	0	0	0	108.6	A210 V211 V212 H275 A277 A283 L286 T287 V290	A210-I231 PolarHBondContact O-N 3.49Å; V211-I231 CarbonylContact C-O 3.49Å; V211-I231 WeakPolarHBondContact CA-O 3.17Å; V211-I231 HydrophobicContact CG1-CB 4.24Å; V211-I231 HydrophobicContact CG1-CG2 4.24Å; V211-I231 HydrophobicContact CG2-CD1 4.27Å; V212-I231 PolarHBondContact N-O 2.59Å; I231-H275 WeakPolarHBondContact CA-O 3.42Å; I231-H275 HydrophobicContact CB-CB 4.21Å; I231-H275 HydrophobicContact CG1-CB 3.66Å; I231-H275 HydrophobicContact CG2-CB 4.32Å; I231-A277 HydrophobicContact CG2-CB 3.89Å; I231-A283 HydrophobicContact CG2-CB 3.93Å; I231-L286 HydrophobicContact CD1-CB 3.94Å; I231-L286 HydrophobicContact CG1-CB 4.28Å; I231-L286 HydrophobicContact CG2-CB 4.46Å; I231-L286 HydrophobicContact CG2-CD1 4.22Å; I231-T287 WeakPolarHBondContact CD1-OG1 3.45Å; I231-V290 HydrophobicContact CD1-CG2 4.39Å
232	I	98.8	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.5	178.2	-176.5	163.5	0	0	0	111.6	V212 I239 A263 C267 H275 A277	V212-I232 HydrophobicContact CB-CB 4.3Å; V212-I232 HydrophobicContact CB-CG1 4.13Å; V212-I232 HydrophobicContact CG1-CD1 4.36Å; V212-I232 HydrophobicContact CG1-CG1 4.3Å; I232-I239 HydrophobicContact CD1-CD1 3.93Å; I232-I239 HydrophobicContact CD1-CG1 4.07Å; I232-A263 HydrophobicContact CB-CB 4.43Å; I232-A263 HydrophobicContact CD1-CB 4.27Å; I232-A263 HydrophobicContact CG1-CB 3.89Å; I232-A263 HydrophobicContact CG2-CB 3.84Å; I232-C267 WeakPolarHBondContact CG2-SG 3.38Å; I232-H275 PolarHBondContact N-O 3.43Å; I232-A277 PolarHBondContact O-N 3.43Å
233	V	98.8	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.2	177.8	-174.9	0	0	0	0	110.1	V212 M213 Q236 G237 A277 A283	V212-V233 PolarHBondContact O-N 3.14Å; M213-V233 HydrophobicContact CB-CG2 4.39Å; M213-V233 HydrophobicContact CG-CG2 4.2Å; V233-Q236 HydrophobicContact CB-CB 4.23Å; V233-Q236 HydrophobicContact CG1-CB 3.91Å; V233-Q236 HydrophobicContact CG1-CG 4.43Å; V233-G237 WeakPolarHBondContact O-CA 3.45Å; V233-G237 PolarHBondContact O-N 3.25Å; V233-A277 HydrophobicContact CG2-CB 4.23Å; V233-A283 HydrophobicContact CG2-CB 3.8Å
234	R	98.1	Very high	96.7	Very high	105 Å²	105	37.4 Å²	37.4	40%	0.396	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	144.6	179.4	73.5	-177.9	-172.1	145.9	1.4	113.5	Q236 A263 Y276 A277 L278	R234-Q236 PolarHBondContact O-N 3.02Å; R234-A263 HydrophobicContact CB-CB 4.08Å; R234-Y276 HydrophobicContact CB-CE1 3.78Å; R234-Y276 HydrophobicContact CB-CE2 4.04Å; R234-Y276 VanDerWaalsContact CB-CZ 3.42Å; R234-Y276 VanDerWaalsContact CB-OH 3.24Å; R234-Y276 WeakPolarHBondContact CB-OH 3.48Å; R234-Y276 HydrophobicContact CG-CE1 4.27Å; R234-A277 WeakPolarHBondContact CG-O 3.49Å; R234-A277 PolarHBondContact N-O 2.92Å; R234-L278 PolarHBondContact NE-O 2.97Å
235	K	96.9	Very high	96.3	Very high	163 Å²	163	42.3 Å²	42.3	71%	0.709	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	25.5	176.7	-56.8	-173.3	175.9	-172.3	0	114	E258	K235-E258 WeakPolarHBondContact CA-OE2 3.47Å
236	Q	96.9	Very high	95.9	Very high	41 Å²	41	44.7 Å²	44.7	19%	0.192	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.1	-54.3	-174.5	-176.3	-176.8	-58	0	0	110.9	K80 M213 G214 V233 R234 D280	K80-Q236 HydrophobicContact CD-CG 4.3Å; K80-Q236 HydrophobicContact CG-CG 4.22Å; M213-Q236 PolarHBondContact O-NE2 3.37Å; G214-Q236 WeakPolarHBondContact CA-O 3.43Å; V233-Q236 HydrophobicContact CB-CB 4.23Å; V233-Q236 HydrophobicContact CG1-CB 3.91Å; V233-Q236 HydrophobicContact CG1-CG 4.43Å; R234-Q236 PolarHBondContact O-N 3.02Å; Q236-D280 PolarHBondContact NE2-OD1 3.07Å
237	G	97.2	Very high	95.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.			trans	-76.5	133.2	175.4	0	0	0	0	0	111.1	G214 V233	G214-G237 WeakPolarHBondContact O-CA 3.47Å; V233-G237 WeakPolarHBondContact O-CA 3.45Å; V233-G237 PolarHBondContact O-N 3.25Å
238	T	97.9	Very high	95.4	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.08	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.5	174.9	59.3	0	0	0	0	111.9	G214 C216 F240 A257 G261	G214-T238 PolarHBondContact O-N 3.35Å; C216-T238 WeakPolarHBondContact CA-O 3.33Å; C216-T238 WeakPolarHBondContact CB-O 3.35Å; C216-T238 PolarHBondContact N-O 3.03Å; T238-F240 HydrophobicContact CG2-CE1 4.39Å; T238-A257 HydrophobicContact CG2-CB 4.15Å; T238-G261 CarbonylContact C-O 3.57Å; T238-G261 WeakPolarHBondContact CA-O 3.38Å
239	I	97.9	Very high	95	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.6	179	-51.5	166.9	0	0	0	109.1	V212 C216 A221 P224 I232 G261 H266 V272	V212-I239 HydrophobicContact CG1-CG1 4.05Å; V212-I239 HydrophobicContact CG2-CD1 3.94Å; V212-I239 HydrophobicContact CG2-CG1 4.1Å; C216-I239 HydrophobicContact CB-CG1 4.33Å; C216-I239 WeakPolarHBondContact O-CA 3.36Å; A221-I239 HydrophobicContact CB-CG2 3.69Å; P224-I239 HydrophobicContact CB-CD1 3.93Å; P224-I239 HydrophobicContact CG-CD1 3.82Å; P224-I239 HydrophobicContact CG-CG1 4.03Å; P224-I239 HydrophobicContact CG-CG2 4.13Å; I232-I239 HydrophobicContact CD1-CD1 3.93Å; I232-I239 HydrophobicContact CD1-CG1 4.07Å; I239-G261 PolarHBondContact N-O 3.23Å; I239-G261 WeakPolarHBondContact O-CA 3.33Å; I239-H266 PolarHBondContact O-NE2 2.99Å; I239-V272 HydrophobicContact CD1-CG1 3.92Å; I239-V272 HydrophobicContact CG2-CG1 4.43Å
240	F	95.1	Very high	94.8	Very high	22 Å²	22	48.6 Å²	48.6	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	149.1	173.9	37.6	-110.6	0	0	0	112.2	C216 T217 A218 T238 G242 G243 A257 L260	C216-F240 PolarHBondContact O-N 3.15Å; T217-F240 CarbonylContact C-O 3.58Å; T217-F240 WeakPolarHBondContact CA-O 3.18Å; T217-F240 WeakPolarHBondContact OG1-CD2 3.2Å; T217-F240 VanDerWaalsContact OG1-CE2 3.29Å; T217-F240 WeakPolarHBondContact OG1-CE2 3.35Å; A218-F240 PolarHBondContact N-O 3.02Å; T238-F240 HydrophobicContact CG2-CE1 4.39Å; F240-G242 VanDerWaalsContact C-N 3.31Å; F240-G243 VanDerWaalsContact CD2-N 3.33Å; F240-A257 HydrophobicContact CE1-CB 4.22Å; F240-L260 HydrophobicContact CB-CD2 4.39Å; F240-L260 HydrophobicContact CB-CG 4.36Å; F240-L260 HydrophobicContact CD1-CD2 4.11Å; F240-L260 HydrophobicContact CD1-CG 4.23Å; F240-L260 HydrophobicContact CG-CD2 4.23Å
241	L	93.1	Very high	94.5	Very high	108 Å²	108	53.1 Å²	53.1	57%	0.565	30%	0.3	S	S	*	.	S	Bend	trans	-73.5	-24.8	174.5	-68.7	175.8	0	0	0	112.7	A218 A221 Y222	A218-L241 VanDerWaalsContact CA-O 3.23Å; A218-L241 WeakPolarHBondContact CA-O 3.25Å; A221-L241 HydrophobicContact CB-CD2 4.42Å; Y222-L241 HydrophobicContact CE1-CD2 4.35Å; Y222-L241 HydrophobicContact CE2-CD2 4.23Å
242	G	89.5	Confident	94.2	Very high	14 Å²	14	55.8 Å²	55.8	14%	0.144	33%	0.328	C	S	.	.	S	Bend	trans	-142.2	122.6	172.5	0	0	0	0	0	109	F240 L260	F240-G242 VanDerWaalsContact C-N 3.31Å; G242-L260 WeakPolarHBondContact O-CD2 3.41Å
243	G	90.3	Very high	93.9	Very high	8 Å²	8	61 Å²	61	8%	0.082	35%	0.352	C	S	.	.			trans	-70.8	173.1	177.9	0	0	0	0	0	113	F240 P245 L246 V247	F240-G243 VanDerWaalsContact CD2-N 3.33Å; G243-P245 VanDerWaalsContact C-N 3.28Å; G243-P245 VanDerWaalsContact O-N 3.11Å; G243-L246 WeakPolarHBondContact O-CA 3.28Å; G243-L246 PolarHBondContact O-N 3.36Å; G243-V247 PolarHBondContact O-N 3.15Å
244	P	92.1	Very high	93.8	Very high	31 Å²	31	68 Å²	68	20%	0.201	39%	0.385	C	S	.	.	H	α-helix	trans	-48.6	-40.2	-179.4	-29.1	35.9	0	0	0	115.2	L246 V247 K248 V255 A257 L260	P244-L246 VanDerWaalsContact C-N 3.32Å; P244-L246 PolarHBondContact O-N 3.01Å; P244-V247 PolarHBondContact O-N 3.44Å; P244-K248 WeakPolarHBondContact O-CB 3.39Å; P244-K248 PolarHBondContact O-N 3.21Å; P244-V255 WeakPolarHBondContact CB-O 3.3Å; P244-A257 HydrophobicContact CG-CB 4.05Å; P244-L260 HydrophobicContact CG-CD2 4.07Å
245	P	90.6	Very high	93.7	Very high	105 Å²	105	64.6 Å²	64.6	68%	0.682	38%	0.375	S	S	*	.	H	α-helix	trans	-61.9	-37.6	175.7	-23.9	35.5	0	0	0	113.5	G243 A249	G243-P245 VanDerWaalsContact C-N 3.28Å; G243-P245 VanDerWaalsContact O-N 3.11Å; P245-A249 VanDerWaalsContact O-CB 3.29Å; P245-A249 WeakPolarHBondContact O-CB 3.28Å; P245-A249 PolarHBondContact O-N 3.2Å
246	L	89.8	Confident	93.6	Very high	104 Å²	104	59.2 Å²	59.2	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-74.9	-40.3	179.4	-175.2	60.1	0	0	0	111.3	G243 P244 A249 A250	G243-L246 WeakPolarHBondContact O-CA 3.28Å; G243-L246 PolarHBondContact O-N 3.36Å; P244-L246 VanDerWaalsContact C-N 3.32Å; P244-L246 PolarHBondContact O-N 3.01Å; L246-A249 PolarHBondContact O-N 3.22Å; L246-A250 VanDerWaalsContact O-CB 3.28Å; L246-A250 WeakPolarHBondContact O-CB 3.48Å; L246-A250 PolarHBondContact O-N 3.03Å
247	V	92.1	Very high	93.5	Very high	24 Å²	24	59.1 Å²	59.1	15%	0.145	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-51.3	174.9	173.9	0	0	0	0	110.1	G243 P244 A249 A250 T251 E253 V255 L260	G243-V247 PolarHBondContact O-N 3.15Å; P244-V247 PolarHBondContact O-N 3.44Å; V247-A249 VanDerWaalsContact C-N 3.3Å; V247-A249 PolarHBondContact O-N 3.16Å; V247-A250 PolarHBondContact O-N 3.19Å; V247-A250 VanDerWaalsContact O-N 3.12Å; V247-T251 PolarHBondContact O-N 2.99Å; V247-T251 PolarHBondContact O-OG1 3.05Å; V247-E253 HydrophobicContact CG1-CB 3.99Å; V247-E253 HydrophobicContact CG1-CG 4.43Å; V247-V255 HydrophobicContact CG1-CG1 4.14Å; V247-L260 HydrophobicContact CG2-CD1 4.25Å; V247-L260 HydrophobicContact CG2-CD2 3.84Å
248	K	93.3	Very high	93.5	Very high	111 Å²	111	61.5 Å²	61.5	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-57	-43.1	176.6	-177.2	171.6	178.2	164.9	0	112.3	P244 G252 E253 E254	P244-K248 WeakPolarHBondContact O-CB 3.39Å; P244-K248 PolarHBondContact O-N 3.21Å; K248-G252 VanDerWaalsContact O-CA 3.26Å; K248-G252 WeakPolarHBondContact O-CA 3.43Å; K248-G252 PolarHBondContact O-N 3.4Å; K248-E253 WeakPolarHBondContact CA-O 3.35Å; K248-E254 HydrophobicContact CD-CG 4.23Å; K248-E254 WeakPolarHBondContact CE-OE1 3.44Å; K248-E254 IonicContact NZ-OE1 2.79Å; K248-E254 PolarHBondContact NZ-OE1 2.95Å
249	A	91.3	Very high	93.4	Very high	85 Å²	85	66.4 Å²	66.4	70%	0.702	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-34.6	178.8	0	0	0	0	0	113.3	P245 L246 V247	P245-A249 VanDerWaalsContact O-CB 3.29Å; P245-A249 WeakPolarHBondContact O-CB 3.28Å; P245-A249 PolarHBondContact O-N 3.2Å; L246-A249 PolarHBondContact O-N 3.22Å; V247-A249 VanDerWaalsContact C-N 3.3Å; V247-A249 PolarHBondContact O-N 3.16Å
250	A	93.6	Very high	93.3	Very high	79 Å²	79	68.1 Å²	68.1	65%	0.653	41%	0.41	S	S	*	.	H	α-helix	trans	-88.5	-35.5	-175.1	0	0	0	0	0	113.8	L246 V247	L246-A250 VanDerWaalsContact O-CB 3.28Å; L246-A250 WeakPolarHBondContact O-CB 3.48Å; L246-A250 PolarHBondContact O-N 3.03Å; V247-A250 PolarHBondContact O-N 3.19Å; V247-A250 VanDerWaalsContact O-N 3.12Å
251	T	91.9	Very high	93.4	Very high	95 Å²	95	67 Å²	67	58%	0.583	41%	0.406	S	S	*	.	H	α-helix	trans	-122.8	-14.8	-171.2	69.4	0	0	0	0	113.9	V247 E253	V247-T251 PolarHBondContact O-N 2.99Å; V247-T251 PolarHBondContact O-OG1 3.05Å; T251-E253 PolarHBondContact O-N 3.48Å; T251-E253 VanDerWaalsContact OG1-CB 3.3Å; T251-E253 WeakPolarHBondContact OG1-CB 3.37Å; T251-E253 PolarHBondContact OG1-N 3.43Å
252	G	92.3	Very high	93.7	Very high	57 Å²	57	61.9 Å²	61.9	59%	0.588	38%	0.379	S	S	*	.			trans	77.9	-0.9	-171.5	0	0	0	0	0	114.5	K248	K248-G252 VanDerWaalsContact O-CA 3.26Å; K248-G252 WeakPolarHBondContact O-CA 3.43Å; K248-G252 PolarHBondContact O-N 3.4Å
253	E	94.1	Very high	94.1	Very high	108 Å²	108	61.2 Å²	61.2	51%	0.505	37%	0.372	S	S	.	.			trans	-72.5	130.8	178.3	-178.2	-176.6	170.2	0	0	111.3	V247 K248 T251 V255	V247-E253 HydrophobicContact CG1-CB 3.99Å; V247-E253 HydrophobicContact CG1-CG 4.43Å; K248-E253 WeakPolarHBondContact CA-O 3.35Å; T251-E253 PolarHBondContact O-N 3.48Å; T251-E253 VanDerWaalsContact OG1-CB 3.3Å; T251-E253 WeakPolarHBondContact OG1-CB 3.37Å; T251-E253 PolarHBondContact OG1-N 3.43Å; E253-V255 HydrophobicContact CG-CB 4.49Å
254	E	95.1	Very high	94.5	Very high	149 Å²	149	63.3 Å²	63.3	70%	0.696	38%	0.381	S	S	*	.			trans	-99.1	113.6	171	-63	-163.4	155.9	0	0	109.8	K248	K248-E254 HydrophobicContact CD-CG 4.23Å; K248-E254 WeakPolarHBondContact CE-OE1 3.44Å; K248-E254 IonicContact NZ-OE1 2.79Å; K248-E254 PolarHBondContact NZ-OE1 2.95Å
255	V	95.9	Very high	94.7	Very high	32 Å²	32	64.2 Å²	64.2	19%	0.194	38%	0.384	C	S	.	.			trans	-137.9	144.1	-178.2	64.2	0	0	0	0	109.7	P244 V247 E253 D259 L260	P244-V255 WeakPolarHBondContact CB-O 3.3Å; V247-V255 HydrophobicContact CG1-CG1 4.14Å; E253-V255 HydrophobicContact CG-CB 4.49Å; V255-D259 HydrophobicContact CG2-CB 3.83Å; V255-L260 HydrophobicContact CG1-CB 4.02Å; V255-L260 HydrophobicContact CG1-CD1 4.14Å; V255-L260 HydrophobicContact CG1-CD2 4.08Å; V255-L260 HydrophobicContact CG1-CG 4.31Å; V255-L260 HydrophobicContact CG2-CB 3.98Å
256	S	96.1	Very high	95.1	Very high	51 Å²	51	59.9 Å²	59.9	36%	0.357	36%	0.355	S	S	.	.			trans	-75.7	159.8	175.6	84.4	0	0	0	0	111	E258 D259 L260	S256-E258 VanDerWaalsContact C-N 3.26Å; S256-E258 PolarHBondContact O-N 2.87Å; S256-E258 PolarHBondContact OG-N 2.65Å; S256-D259 WeakPolarHBondContact CB-OD2 3.04Å; S256-D259 PolarHBondContact O-N 2.73Å; S256-D259 WeakPolarHBondContact OG-CB 3.22Å; S256-D259 PolarHBondContact OG-N 3.19Å; S256-D259 PolarHBondContact OG-OD2 3.04Å; S256-L260 WeakPolarHBondContact O-CB 3.33Å; S256-L260 PolarHBondContact O-N 2.81Å
257	A	94.8	Very high	95.5	Very high	39 Å²	39	56.8 Å²	56.8	32%	0.322	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-33	176.4	0	0	0	0	0	112.6	T238 F240 P244 G261	T238-A257 HydrophobicContact CG2-CB 4.15Å; F240-A257 HydrophobicContact CE1-CB 4.22Å; P244-A257 HydrophobicContact CG-CB 4.05Å; A257-G261 PolarHBondContact O-N 3.03Å; A257-G261 VanDerWaalsContact O-N 3.14Å
258	E	96.3	Very high	95.8	Very high	50 Å²	50	64.8 Å²	64.8	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-71.2	-42.7	177.6	-175.4	64.6	-164	0	0	111.4	K235 S256 L260 G262	K235-E258 WeakPolarHBondContact CA-OE2 3.47Å; S256-E258 VanDerWaalsContact C-N 3.26Å; S256-E258 PolarHBondContact O-N 2.87Å; S256-E258 PolarHBondContact OG-N 2.65Å; E258-L260 VanDerWaalsContact C-N 3.34Å; E258-G262 VanDerWaalsContact O-CA 3.23Å; E258-G262 WeakPolarHBondContact O-CA 3.15Å; E258-G262 PolarHBondContact O-N 3.04Å
259	D	96.5	Very high	96	Very high	115 Å²	115	68 Å²	68	62%	0.615	38%	0.383	S	S	*	.	H	α-helix	trans	-71.8	-31.9	179.7	-60.6	-46.8	0	0	0	112	V255 S256	V255-D259 HydrophobicContact CG2-CB 3.83Å; S256-D259 WeakPolarHBondContact CB-OD2 3.04Å; S256-D259 PolarHBondContact O-N 2.73Å; S256-D259 WeakPolarHBondContact OG-CB 3.22Å; S256-D259 PolarHBondContact OG-N 3.19Å; S256-D259 PolarHBondContact OG-OD2 3.04Å
260	L	96.5	Very high	96.3	Very high	43 Å²	43	67 Å²	67	23%	0.225	37%	0.37	C	S	.	.	H	α-helix	trans	-75.5	-36.4	179.9	-178.9	59.9	0	0	0	113.2	F240 G242 P244 V247 V255 S256 E258 L265	F240-L260 HydrophobicContact CB-CD2 4.39Å; F240-L260 HydrophobicContact CB-CG 4.36Å; F240-L260 HydrophobicContact CD1-CD2 4.11Å; F240-L260 HydrophobicContact CD1-CG 4.23Å; F240-L260 HydrophobicContact CG-CD2 4.23Å; G242-L260 WeakPolarHBondContact O-CD2 3.41Å; P244-L260 HydrophobicContact CG-CD2 4.07Å; V247-L260 HydrophobicContact CG2-CD1 4.25Å; V247-L260 HydrophobicContact CG2-CD2 3.84Å; V255-L260 HydrophobicContact CG1-CB 4.02Å; V255-L260 HydrophobicContact CG1-CD1 4.14Å; V255-L260 HydrophobicContact CG1-CD2 4.08Å; V255-L260 HydrophobicContact CG1-CG 4.31Å; V255-L260 HydrophobicContact CG2-CB 3.98Å; S256-L260 WeakPolarHBondContact O-CB 3.33Å; S256-L260 PolarHBondContact O-N 2.81Å; E258-L260 VanDerWaalsContact C-N 3.34Å; L260-L265 WeakPolarHBondContact O-CD2 3.36Å
261	G	97.3	Very high	96.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-161.7	24.8	-168.4	0	0	0	0	0	115.2	T238 I239 A257 H266	T238-G261 CarbonylContact C-O 3.57Å; T238-G261 WeakPolarHBondContact CA-O 3.38Å; I239-G261 PolarHBondContact N-O 3.23Å; I239-G261 WeakPolarHBondContact O-CA 3.33Å; A257-G261 PolarHBondContact O-N 3.03Å; A257-G261 VanDerWaalsContact O-N 3.14Å; G261-H266 VanDerWaalsContact CA-NE2 3.35Å; G261-H266 WeakPolarHBondContact CA-NE2 3.5Å; G261-H266 PolarHBondContact O-CD2 2.73Å; G261-H266 PolarHBondContact O-NE2 2.88Å
262	G	98	Very high	96.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-74.9	175.7	179.1	0	0	0	0	0	113.9	E258 D264 L265 H266	E258-G262 VanDerWaalsContact O-CA 3.23Å; E258-G262 WeakPolarHBondContact O-CA 3.15Å; E258-G262 PolarHBondContact O-N 3.04Å; G262-D264 VanDerWaalsContact C-N 3.33Å; G262-D264 PolarHBondContact O-N 3.27Å; G262-L265 PolarHBondContact O-N 2.98Å; G262-H266 PolarHBondContact O-CD2 3.01Å; G262-H266 PolarHBondContact O-N 3.26Å; G262-H266 VanDerWaalsContact O-N 3.15Å
263	A	98.1	Very high	97	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-40.7	-178.8	0	0	0	0	0	113	I232 R234 L265 H266 C267 Y276	I232-A263 HydrophobicContact CB-CB 4.43Å; I232-A263 HydrophobicContact CD1-CB 4.27Å; I232-A263 HydrophobicContact CG1-CB 3.89Å; I232-A263 HydrophobicContact CG2-CB 3.84Å; R234-A263 HydrophobicContact CB-CB 4.08Å; A263-L265 VanDerWaalsContact C-N 3.35Å; A263-L265 PolarHBondContact O-N 3.37Å; A263-H266 PolarHBondContact O-N 2.8Å; A263-C267 WeakPolarHBondContact O-CB 3.32Å; A263-C267 PolarHBondContact O-N 3Å; A263-Y276 HydrophobicContact CB-CD2 3.88Å; A263-Y276 HydrophobicContact CB-CE2 3.63Å
264	D	98.1	Very high	97.2	Very high	52 Å²	52	60.2 Å²	60.2	28%	0.278	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-40.3	-179	-83.8	-78.7	0	0	0	111.6	G262 R268 Y276	G262-D264 VanDerWaalsContact C-N 3.33Å; G262-D264 PolarHBondContact O-N 3.27Å; D264-R268 WeakPolarHBondContact O-CB 3.42Å; D264-R268 WeakPolarHBondContact O-CG 3.05Å; D264-R268 PolarHBondContact O-N 2.76Å; D264-R268 VanDerWaalsContact O-N 3.13Å; D264-R268 IonicContact OD1-CZ 2.75Å; D264-R268 IonicContact OD1-NE 3.65Å; D264-R268 PolarHBondContact OD1-NE 2.99Å; D264-R268 IonicContact OD1-NH2 2.81Å; D264-Y276 HydrophobicContact CB-CE2 4.47Å; D264-Y276 PolarHBondContact OD2-OH 3.3Å
265	L	98	Very high	97.4	Very high	49 Å²	49	55.6 Å²	55.6	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-50	174.8	-179.3	70.3	0	0	0	111	L260 G262 A263 K269 S270	L260-L265 WeakPolarHBondContact O-CD2 3.36Å; G262-L265 PolarHBondContact O-N 2.98Å; A263-L265 VanDerWaalsContact C-N 3.35Å; A263-L265 PolarHBondContact O-N 3.37Å; L265-K269 HydrophobicContact CD1-CB 4.25Å; L265-K269 HydrophobicContact CD1-CD 3.92Å; L265-K269 WeakPolarHBondContact O-CA 3.45Å; L265-K269 WeakPolarHBondContact O-CB 3.44Å; L265-K269 PolarHBondContact O-N 3.42Å; L265-S270 PolarHBondContact O-N 3.24Å
266	H	98.4	Very high	97.5	Very high	15 Å²	15	57 Å²	57	7%	0.069	31%	0.305	C	S	.	.	I	π-helix	trans	-74.7	-34.4	-171.4	-71.1	-45.9	0	0	0	114.5	I239 G261 G262 A263 S270 G271 V272 G273	I239-H266 PolarHBondContact O-NE2 2.99Å; G261-H266 VanDerWaalsContact CA-NE2 3.35Å; G261-H266 WeakPolarHBondContact CA-NE2 3.5Å; G261-H266 PolarHBondContact O-CD2 2.73Å; G261-H266 PolarHBondContact O-NE2 2.88Å; G262-H266 PolarHBondContact O-CD2 3.01Å; G262-H266 PolarHBondContact O-N 3.26Å; G262-H266 VanDerWaalsContact O-N 3.15Å; A263-H266 PolarHBondContact O-N 2.8Å; H266-S270 WeakPolarHBondContact CA-OG 3.46Å; H266-S270 PolarHBondContact ND1-OG 2.88Å; H266-G271 CarbonylContact O-C 3.54Å; H266-G271 VanDerWaalsContact O-CA 3.32Å; H266-G271 WeakPolarHBondContact O-CA 3.49Å; H266-G271 PolarHBondContact O-N 3.36Å; H266-V272 HydrophobicContact CB-CB 4.17Å; H266-V272 PolarHBondContact O-N 2.91Å; H266-G273 PolarHBondContact O-N 3.29Å
267	C	98.3	Very high	97.7	Very high	38 Å²	38	54.5 Å²	54.5	26%	0.257	29%	0.288	S	S	.	.	I	π-helix	trans	-86.3	-24.2	178.6	-67.5	0	0	0	0	113.9	I232 A263 G273 Y276	I232-C267 WeakPolarHBondContact CG2-SG 3.38Å; A263-C267 WeakPolarHBondContact O-CB 3.32Å; A263-C267 PolarHBondContact O-N 3Å; C267-G273 WeakPolarHBondContact CA-O 3.32Å; C267-G273 PolarHBondContact SG-O 3Å; C267-G273 VanDerWaalsContact SG-O 3.39Å; C267-Y276 HydrophobicContact CB-CD2 4Å
268	R	97.9	Very high	97.8	Very high	192 Å²	192	56.9 Å²	56.9	73%	0.725	30%	0.295	S	S	*	.	I	π-helix	trans	-103.8	-27.5	-176.6	-56.4	178.3	179.7	-84	-1.9	114.2	D264	D264-R268 WeakPolarHBondContact O-CB 3.42Å; D264-R268 WeakPolarHBondContact O-CG 3.05Å; D264-R268 PolarHBondContact O-N 2.76Å; D264-R268 VanDerWaalsContact O-N 3.13Å; D264-R268 IonicContact OD1-CZ 2.75Å; D264-R268 IonicContact OD1-NE 3.65Å; D264-R268 PolarHBondContact OD1-NE 2.99Å; D264-R268 IonicContact OD1-NH2 2.81Å
269	K	98	Very high	98	Very high	180 Å²	180	58 Å²	58	78%	0.783	30%	0.303	S	S	*	.	I	π-helix	trans	-122.7	-55.4	-170.3	-170.3	179.4	-179.8	-175.9	0	113.1	L265	L265-K269 HydrophobicContact CD1-CB 4.25Å; L265-K269 HydrophobicContact CD1-CD 3.92Å; L265-K269 WeakPolarHBondContact O-CA 3.45Å; L265-K269 WeakPolarHBondContact O-CB 3.44Å; L265-K269 PolarHBondContact O-N 3.42Å
270	S	97.8	Very high	98.1	Very high	62 Å²	62	52.8 Å²	52.8	43%	0.434	28%	0.275	S	S	.	.	I	π-helix	trans	-82.7	-25.9	-172.4	87.9	0	0	0	0	113.7	L265 H266 V272	L265-S270 PolarHBondContact O-N 3.24Å; H266-S270 WeakPolarHBondContact CA-OG 3.46Å; H266-S270 PolarHBondContact ND1-OG 2.88Å; S270-V272 VanDerWaalsContact C-N 3.3Å; S270-V272 PolarHBondContact O-N 3.2Å; S270-V272 WeakPolarHBondContact OG-CB 3.35Å; S270-V272 VanDerWaalsContact OG-CG2 3.31Å; S270-V272 WeakPolarHBondContact OG-CG2 3.36Å; S270-V272 PolarHBondContact OG-N 3.48Å
271	G	97.6	Very high	98.2	Very high	54 Å²	54	55.6 Å²	55.6	56%	0.557	29%	0.286	S	S	*	.			trans	71.9	20.1	-175	0	0	0	0	0	114.2	H266	H266-G271 CarbonylContact O-C 3.54Å; H266-G271 VanDerWaalsContact O-CA 3.32Å; H266-G271 WeakPolarHBondContact O-CA 3.49Å; H266-G271 PolarHBondContact O-N 3.36Å
272	V	97.8	Very high	98.2	Very high	46 Å²	46	58.3 Å²	58.3	28%	0.279	30%	0.299	S	S	.	.			trans	-79.9	-26	175.4	168.6	0	0	0	0	111	A225 N230 I239 H266 S270	A225-V272 HydrophobicContact CB-CG1 4.49Å; N230-V272 PolarHBondContact ND2-O 2.83Å; I239-V272 HydrophobicContact CD1-CG1 3.92Å; I239-V272 HydrophobicContact CG2-CG1 4.43Å; H266-V272 HydrophobicContact CB-CB 4.17Å; H266-V272 PolarHBondContact O-N 2.91Å; S270-V272 VanDerWaalsContact C-N 3.3Å; S270-V272 PolarHBondContact O-N 3.2Å; S270-V272 WeakPolarHBondContact OG-CB 3.35Å; S270-V272 VanDerWaalsContact OG-CG2 3.31Å; S270-V272 WeakPolarHBondContact OG-CG2 3.36Å; S270-V272 PolarHBondContact OG-N 3.48Å
273	G	97.1	Very high	98.3	Very high	5 Å²	5	58.3 Å²	58.3	5%	0.052	30%	0.299	C	S	.	.			trans	-110.2	127.9	176	0	0	0	0	0	110.8	H266 C267	H266-G273 PolarHBondContact O-N 3.29Å; C267-G273 WeakPolarHBondContact CA-O 3.32Å; C267-G273 PolarHBondContact SG-O 3Å; C267-G273 VanDerWaalsContact SG-O 3.39Å
274	D	98.6	Very high	98.3	Very high	92 Å²	92	58.5 Å²	58.5	49%	0.492	30%	0.3	S	S	.	.	S	Bend	trans	-88.2	-32.6	-178	-51.7	-64	0	0	0	111.8	N230	N230-D274 PolarHBondContact N-OD2 3.14Å; N230-D274 PolarHBondContact O-N 2.58Å
275	H	98.8	Very high	98.3	Very high	52 Å²	52	60.5 Å²	60.5	24%	0.241	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.3	-174.3	-57.6	-81.6	0	0	0	112.1	E229 N230 I231 I232 L286	E229-H275 IonicContact OE2-CD2 3.15Å; E229-H275 IonicContact OE2-CE1 3.19Å; E229-H275 PolarHBondContact OE2-CE1 3.2Å; E229-H275 IonicContact OE2-NE2 3.7Å; E229-H275 PolarHBondContact OE2-NE2 2.84Å; N230-H275 PolarHBondContact O-N 2.99Å; I231-H275 WeakPolarHBondContact CA-O 3.42Å; I231-H275 HydrophobicContact CB-CB 4.21Å; I231-H275 HydrophobicContact CG1-CB 3.66Å; I231-H275 HydrophobicContact CG2-CB 4.32Å; I232-H275 PolarHBondContact N-O 3.43Å; H275-L286 HydrophobicContact CB-CD1 4.25Å
276	Y	98.6	Very high	98.4	Very high	61 Å²	61	59.2 Å²	59.2	24%	0.239	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.6	179.7	-170.7	-86.7	0	0	0	111	R234 A263 D264 C267 L278	R234-Y276 HydrophobicContact CB-CE1 3.78Å; R234-Y276 HydrophobicContact CB-CE2 4.04Å; R234-Y276 VanDerWaalsContact CB-CZ 3.42Å; R234-Y276 VanDerWaalsContact CB-OH 3.24Å; R234-Y276 WeakPolarHBondContact CB-OH 3.48Å; R234-Y276 HydrophobicContact CG-CE1 4.27Å; A263-Y276 HydrophobicContact CB-CD2 3.88Å; A263-Y276 HydrophobicContact CB-CE2 3.63Å; D264-Y276 HydrophobicContact CB-CE2 4.47Å; D264-Y276 PolarHBondContact OD2-OH 3.3Å; C267-Y276 HydrophobicContact CB-CD2 4Å; Y276-L278 HydrophobicContact CE1-CD2 4.31Å
277	A	98.7	Very high	98.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	149.1	178.8	0	0	0	0	0	112.3	I231 I232 V233 R234 A283 L286	I231-A277 HydrophobicContact CG2-CB 3.89Å; I232-A277 PolarHBondContact O-N 3.43Å; V233-A277 HydrophobicContact CG2-CB 4.23Å; R234-A277 WeakPolarHBondContact CG-O 3.49Å; R234-A277 PolarHBondContact N-O 2.92Å; A277-A283 HydrophobicContact CB-CB 3.63Å; A277-L286 HydrophobicContact CB-CD1 4.14Å
278	L	98.5	Very high	98.4	Very high	88 Å²	88	58.6 Å²	58.6	46%	0.461	29%	0.292	S	S	.	.	S	Bend	trans	-89.2	-32.2	-175.8	-64.2	179.6	0	0	0	112.6	R234 Y276 H282	R234-L278 PolarHBondContact NE-O 2.97Å; Y276-L278 HydrophobicContact CE1-CD2 4.31Å; L278-H282 HydrophobicContact CB-CB 4.31Å; L278-H282 PolarHBondContact N-ND1 2.95Å; L278-H282 VanDerWaalsContact N-ND1 3.18Å
279	D	98.5	Very high	98.5	Very high	75 Å²	75	54 Å²	54	40%	0.401	28%	0.278	S	S	.	.	S	Bend	trans	-161.8	-179.4	-179.1	54.5	44.2	0	0	0	108.8	H281 H282 A283	D279-H281 PolarHBondContact O-N 2.92Å; D279-H281 PolarHBondContact OD1-N 2.88Å; D279-H281 VanDerWaalsContact OD1-N 3.1Å; D279-H282 PolarHBondContact O-N 3.2Å; D279-H282 WeakPolarHBondContact OD1-CB 3.5Å; D279-H282 PolarHBondContact OD1-N 3.11Å; D279-A283 PolarHBondContact O-N 2.99Å
280	D	98.7	Very high	98.5	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-43.5	179.3	-78.5	4.4	0	0	0	112.4	L81 R86 M213 Q236 H282 A283 L284	L81-D280 HydrophobicContact CB-CB 4.23Å; L81-D280 WeakPolarHBondContact CB-OD2 3.29Å; L81-D280 HydrophobicContact CD1-CB 3.82Å; L81-D280 HydrophobicContact CG-CB 3.84Å; L81-D280 PolarHBondContact N-OD2 2.91Å; R86-D280 IonicContact CZ-OD2 3.52Å; R86-D280 VanDerWaalsContact CZ-OD2 3.3Å; R86-D280 IonicContact NE-OD2 3.83Å; R86-D280 PolarHBondContact NE-OD2 2.84Å; R86-D280 IonicContact NH2-OD1 2.73Å; R86-D280 IonicContact NH2-OD2 2.64Å; R86-D280 PolarHBondContact NH2-OD2 2.86Å; M213-D280 HydrophobicContact CE-CB 3.51Å; M213-D280 WeakPolarHBondContact CE-OD1 3.44Å; Q236-D280 PolarHBondContact NE2-OD1 3.07Å; D280-H282 PolarHBondContact O-N 3.37Å; D280-A283 WeakPolarHBondContact O-CB 3.48Å; D280-A283 PolarHBondContact O-N 2.84Å; D280-L284 VanDerWaalsContact O-CG 3.28Å; D280-L284 WeakPolarHBondContact O-CG 3.49Å; D280-L284 PolarHBondContact O-N 2.91Å
281	H	98.8	Very high	98.6	Very high	102 Å²	102	42.8 Å²	42.8	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-42.3	-179.2	-72.7	-75.2	0	0	0	112	D279 A283 L284 H285	D279-H281 PolarHBondContact O-N 2.92Å; D279-H281 PolarHBondContact OD1-N 2.88Å; D279-H281 VanDerWaalsContact OD1-N 3.1Å; H281-A283 VanDerWaalsContact C-N 3.33Å; H281-L284 PolarHBondContact O-N 3.46Å; H281-H285 PolarHBondContact O-N 3.04Å
282	H	98.8	Very high	98.6	Very high	57 Å²	57	47.8 Å²	47.8	26%	0.264	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-40.2	175.6	-174.4	-152.3	0	0	0	111.2	L278 D279 D280 H285 L286	L278-H282 HydrophobicContact CB-CB 4.31Å; L278-H282 PolarHBondContact N-ND1 2.95Å; L278-H282 VanDerWaalsContact N-ND1 3.18Å; D279-H282 PolarHBondContact O-N 3.2Å; D279-H282 WeakPolarHBondContact OD1-CB 3.5Å; D279-H282 PolarHBondContact OD1-N 3.11Å; D280-H282 PolarHBondContact O-N 3.37Å; H282-H285 WeakPolarHBondContact O-CB 3.45Å; H282-H285 PolarHBondContact O-N 2.92Å; H282-L286 WeakPolarHBondContact O-CG 3.41Å; H282-L286 PolarHBondContact O-N 2.7Å
283	A	98.9	Very high	98.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-48.1	176.5	0	0	0	0	0	111.8	V211 M213 I231 V233 A277 D279 D280 H281 H285 L286 T287	V211-A283 HydrophobicContact CG1-CB 3.78Å; M213-A283 HydrophobicContact CE-CB 4.44Å; I231-A283 HydrophobicContact CG2-CB 3.93Å; V233-A283 HydrophobicContact CG2-CB 3.8Å; A277-A283 HydrophobicContact CB-CB 3.63Å; D279-A283 PolarHBondContact O-N 2.99Å; D280-A283 WeakPolarHBondContact O-CB 3.48Å; D280-A283 PolarHBondContact O-N 2.84Å; H281-A283 VanDerWaalsContact C-N 3.33Å; A283-H285 VanDerWaalsContact C-N 3.31Å; A283-H285 PolarHBondContact O-N 3.02Å; A283-L286 WeakPolarHBondContact O-CB 3.12Å; A283-L286 PolarHBondContact O-N 3.4Å; A283-L286 VanDerWaalsContact O-N 3.13Å; A283-T287 PolarHBondContact O-N 2.83Å; A283-T287 PolarHBondContact O-OG1 3.31Å
284	L	98.9	Very high	98.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-37.2	178.3	-60.9	175.6	0	0	0	112.1	L81 R86 N89 L90 L170 M213 D280 H281 T287 R288	L81-L284 HydrophobicContact CD1-CD1 4.32Å; R86-L284 HydrophobicContact CB-CD1 4.28Å; R86-L284 HydrophobicContact CB-CD2 4.47Å; R86-L284 WeakPolarHBondContact O-CD1 3.32Å; N89-L284 HydrophobicContact CB-CD1 3.64Å; L90-L284 HydrophobicContact CB-CD2 4.17Å; L90-L284 HydrophobicContact CD1-CD2 4.34Å; L170-L284 HydrophobicContact CD1-CD2 4.46Å; L170-L284 HydrophobicContact CD2-CD2 4.15Å; M213-L284 HydrophobicContact CE-CD2 4.07Å; M213-L284 HydrophobicContact CE-CG 4.19Å; M213-L284 HydrophobicContact SD-CD2 4.37Å; D280-L284 VanDerWaalsContact O-CG 3.28Å; D280-L284 WeakPolarHBondContact O-CG 3.49Å; D280-L284 PolarHBondContact O-N 2.91Å; H281-L284 PolarHBondContact O-N 3.46Å; L284-T287 WeakPolarHBondContact O-CB 3.46Å; L284-T287 PolarHBondContact O-N 3.48Å; L284-R288 WeakPolarHBondContact O-CG 3.45Å; L284-R288 PolarHBondContact O-N 3.36Å
285	H	98.8	Very high	98.6	Very high	95 Å²	95	55.9 Å²	55.9	44%	0.44	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-43.4	172.5	173.9	68.9	0	0	0	112.5	H281 H282 A283 R288 K289	H281-H285 PolarHBondContact O-N 3.04Å; H282-H285 WeakPolarHBondContact O-CB 3.45Å; H282-H285 PolarHBondContact O-N 2.92Å; A283-H285 VanDerWaalsContact C-N 3.31Å; A283-H285 PolarHBondContact O-N 3.02Å; H285-R288 PolarHBondContact O-N 3.2Å; H285-K289 VanDerWaalsContact NE2-CE 3.28Å; H285-K289 WeakPolarHBondContact NE2-CE 3.15Å; H285-K289 PolarHBondContact O-N 2.94Å; H285-K289 VanDerWaalsContact O-N 3.1Å
286	L	98.9	Very high	98.4	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.115	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-42.4	175	-67.6	169.5	0	0	0	110.9	I231 H275 A277 H282 A283 R288 K289 V290	I231-L286 HydrophobicContact CD1-CB 3.94Å; I231-L286 HydrophobicContact CG1-CB 4.28Å; I231-L286 HydrophobicContact CG2-CB 4.46Å; I231-L286 HydrophobicContact CG2-CD1 4.22Å; H275-L286 HydrophobicContact CB-CD1 4.25Å; A277-L286 HydrophobicContact CB-CD1 4.14Å; H282-L286 WeakPolarHBondContact O-CG 3.41Å; H282-L286 PolarHBondContact O-N 2.7Å; A283-L286 WeakPolarHBondContact O-CB 3.12Å; A283-L286 PolarHBondContact O-N 3.4Å; A283-L286 VanDerWaalsContact O-N 3.13Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.37Å; L286-K289 HydrophobicContact CD2-CD 4.43Å; L286-K289 WeakPolarHBondContact O-CA 3.3Å; L286-K289 WeakPolarHBondContact O-CB 3.24Å; L286-K289 PolarHBondContact O-N 2.73Å; L286-V290 WeakPolarHBondContact O-CG2 3.41Å; L286-V290 PolarHBondContact O-N 3.43Å
287	T	98.9	Very high	98.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-45.5	174.1	-50	0	0	0	0	111.4	L90 I168 I209 V211 I231 A283 L284 K289 V290 V291	L90-T287 HydrophobicContact CD1-CG2 3.75Å; I168-T287 HydrophobicContact CD1-CG2 4.08Å; I168-T287 HydrophobicContact CG1-CG2 4.32Å; I168-T287 HydrophobicContact CG2-CG2 3.75Å; I209-T287 HydrophobicContact CG2-CG2 4.17Å; V211-T287 HydrophobicContact CG2-CG2 4.11Å; V211-T287 WeakPolarHBondContact CG2-OG1 3.1Å; I231-T287 WeakPolarHBondContact CD1-OG1 3.45Å; A283-T287 PolarHBondContact O-N 2.83Å; A283-T287 PolarHBondContact O-OG1 3.31Å; L284-T287 WeakPolarHBondContact O-CB 3.46Å; L284-T287 PolarHBondContact O-N 3.48Å; T287-K289 VanDerWaalsContact C-N 3.28Å; T287-K289 PolarHBondContact O-N 2.71Å; T287-V290 WeakPolarHBondContact O-CB 3.37Å; T287-V290 PolarHBondContact O-N 2.84Å; T287-V291 WeakPolarHBondContact O-CG2 3.49Å; T287-V291 PolarHBondContact O-N 2.82Å
288	R	98.9	Very high	98	Very high	39 Å²	39	63.3 Å²	63.3	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-34.7	176.5	-70	176.8	64.3	69.4	3.4	112.5	L90 D92 V126 S127 L284 H285 L286 R292	L90-R288 HydrophobicContact CD1-CG 4.03Å; L90-R288 WeakPolarHBondContact O-CD 3.42Å; L90-R288 PolarHBondContact O-NH1 2.8Å; D92-R288 IonicContact OD1-CZ 3.74Å; D92-R288 IonicContact OD1-NH1 3.65Å; D92-R288 PolarHBondContact OD1-NH1 3.08Å; D92-R288 IonicContact OD1-NH2 3.38Å; D92-R288 PolarHBondContact OD1-NH2 2.72Å; V126-R288 HydrophobicContact CG1-CB 4.49Å; V126-R288 HydrophobicContact CG1-CG 3.85Å; S127-R288 PolarHBondContact OG-O 2.8Å; L284-R288 WeakPolarHBondContact O-CG 3.45Å; L284-R288 PolarHBondContact O-N 3.36Å; H285-R288 PolarHBondContact O-N 3.2Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.37Å; R288-R292 WeakPolarHBondContact O-CG 3.45Å; R288-R292 PolarHBondContact O-N 2.9Å
289	K	98.7	Very high	97.7	Very high	97 Å²	97	66.3 Å²	66.3	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-68.3	-44.1	174.1	-74.4	179.6	171.9	176.4	0	112.1	H285 L286 T287 V291 R292 N293	H285-K289 VanDerWaalsContact NE2-CE 3.28Å; H285-K289 WeakPolarHBondContact NE2-CE 3.15Å; H285-K289 PolarHBondContact O-N 2.94Å; H285-K289 VanDerWaalsContact O-N 3.1Å; L286-K289 HydrophobicContact CD2-CD 4.43Å; L286-K289 WeakPolarHBondContact O-CA 3.3Å; L286-K289 WeakPolarHBondContact O-CB 3.24Å; L286-K289 PolarHBondContact O-N 2.73Å; T287-K289 VanDerWaalsContact C-N 3.28Å; T287-K289 PolarHBondContact O-N 2.71Å; K289-V291 VanDerWaalsContact C-N 3.31Å; K289-V291 PolarHBondContact O-N 2.88Å; K289-R292 WeakPolarHBondContact O-CB 3.42Å; K289-R292 PolarHBondContact O-N 2.9Å; K289-N293 PolarHBondContact O-N 3.01Å; K289-N293 PolarHBondContact O-ND2 3.45Å
290	V	98.8	Very high	97.4	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-50.6	174.2	171	0	0	0	0	109.8	I209 E229 I231 L286 T287 R292 N293 L294	I209-V290 HydrophobicContact CD1-CB 4.45Å; I209-V290 HydrophobicContact CD1-CG1 3.58Å; I209-V290 HydrophobicContact CG1-CG1 3.75Å; I209-V290 HydrophobicContact CG2-CG1 4.21Å; E229-V290 HydrophobicContact CB-CG1 4.23Å; E229-V290 HydrophobicContact CB-CG2 4.47Å; E229-V290 HydrophobicContact CG-CG1 4.39Å; E229-V290 WeakPolarHBondContact OE1-CG1 3.5Å; E229-V290 WeakPolarHBondContact OE2-CG2 3.42Å; I231-V290 HydrophobicContact CD1-CG2 4.39Å; L286-V290 WeakPolarHBondContact O-CG2 3.41Å; L286-V290 PolarHBondContact O-N 3.43Å; T287-V290 WeakPolarHBondContact O-CB 3.37Å; T287-V290 PolarHBondContact O-N 2.84Å; V290-R292 VanDerWaalsContact C-N 3.31Å; V290-R292 PolarHBondContact O-N 2.7Å; V290-N293 PolarHBondContact O-N 3.44Å; V290-L294 PolarHBondContact O-N 3.49Å
291	V	98.8	Very high	97.1	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-37.9	179.9	178.9	0	0	0	0	112.8	V126 V129 I168 I209 T287 K289 N293 L294	V126-V291 HydrophobicContact CB-CG1 4.3Å; V126-V291 HydrophobicContact CB-CG2 4.39Å; V126-V291 HydrophobicContact CG1-CB 4.13Å; V126-V291 HydrophobicContact CG1-CG1 4.32Å; V126-V291 HydrophobicContact CG1-CG2 3.91Å; V126-V291 WeakPolarHBondContact O-CG1 3.35Å; V129-V291 HydrophobicContact CB-CG1 3.8Å; V129-V291 HydrophobicContact CG1-CG1 4.49Å; V129-V291 HydrophobicContact CG2-CG1 3.91Å; I168-V291 HydrophobicContact CD1-CG2 3.96Å; I209-V291 HydrophobicContact CD1-CG2 3.7Å; T287-V291 WeakPolarHBondContact O-CG2 3.49Å; T287-V291 PolarHBondContact O-N 2.82Å; K289-V291 VanDerWaalsContact C-N 3.31Å; K289-V291 PolarHBondContact O-N 2.88Å; V291-N293 PolarHBondContact O-N 2.57Å; V291-L294 HydrophobicContact CB-CD1 4.42Å; V291-L294 HydrophobicContact CG1-CD1 4.19Å; V291-L294 WeakPolarHBondContact O-CB 3.49Å; V291-L294 WeakPolarHBondContact O-CG 3.03Å; V291-L294 PolarHBondContact O-N 3.12Å
292	R	98.2	Very high	96.9	Very high	159 Å²	159	65.8 Å²	65.8	60%	0.6	31%	0.308	S	S	*	.	H	α-helix	trans	-62.4	-30.5	175.4	-73.2	173	-170.7	-169.2	-1	113.1	S127 R288 K289 V290	S127-R292 VanDerWaalsContact CB-CG 3.4Å; S127-R292 WeakPolarHBondContact OG-CG 3.24Å; S127-R292 PolarHBondContact OG-NE 2.92Å; R288-R292 WeakPolarHBondContact O-CG 3.45Å; R288-R292 PolarHBondContact O-N 2.9Å; K289-R292 WeakPolarHBondContact O-CB 3.42Å; K289-R292 PolarHBondContact O-N 2.9Å; V290-R292 VanDerWaalsContact C-N 3.31Å; V290-R292 PolarHBondContact O-N 2.7Å
293	N	98.4	Very high	96.7	Very high	130 Å²	130	67.6 Å²	67.6	70%	0.695	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	0.7	-175.3	-66.4	-22.3	0	0	0	113.2	K289 V290 V291 N295	K289-N293 PolarHBondContact O-N 3.01Å; K289-N293 PolarHBondContact O-ND2 3.45Å; V290-N293 PolarHBondContact O-N 3.44Å; V291-N293 PolarHBondContact O-N 2.57Å; N293-N295 PolarHBondContact O-N 3.31Å; N293-N295 VanDerWaalsContact O-N 3.13Å
294	L	98	Very high	96.5	Very high	46 Å²	46	71.4 Å²	71.4	24%	0.241	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.8	179.9	-65	-179.1	0	0	0	114.3	P166 A207 V290 V291 Y296	P166-L294 HydrophobicContact CB-CD1 4.03Å; P166-L294 HydrophobicContact CG-CD1 4Å; A207-L294 HydrophobicContact CB-CD1 4.03Å; A207-L294 HydrophobicContact CB-CD2 3.55Å; A207-L294 HydrophobicContact CB-CG 4.42Å; V290-L294 PolarHBondContact O-N 3.49Å; V291-L294 HydrophobicContact CB-CD1 4.42Å; V291-L294 HydrophobicContact CG1-CD1 4.19Å; V291-L294 WeakPolarHBondContact O-CB 3.49Å; V291-L294 WeakPolarHBondContact O-CG 3.03Å; V291-L294 PolarHBondContact O-N 3.12Å; L294-Y296 PolarHBondContact O-N 2.9Å
295	N	96.9	Very high	96.4	Very high	137 Å²	137	75.6 Å²	75.6	73%	0.733	36%	0.362	S	S	*	.			trans	52.2	38.2	-170.9	-172.4	34.5	0	0	0	111.9	N293	N293-N295 PolarHBondContact O-N 3.31Å; N293-N295 VanDerWaalsContact O-N 3.13Å
296	Y	95.8	Very high	96.3	Very high	68 Å²	68	76.4 Å²	76.4	27%	0.267	38%	0.376	S	S	.	.			trans	-73.6	133.1	-174.4	-169	-90.4	0	0	0	111.4	V129 R164 P166 L294 K298 N550	V129-Y296 HydrophobicContact CB-CD1 4.48Å; V129-Y296 HydrophobicContact CG1-CD1 3.71Å; V129-Y296 HydrophobicContact CG1-CD2 4.15Å; V129-Y296 HydrophobicContact CG1-CE1 3.97Å; V129-Y296 HydrophobicContact CG1-CE2 4.38Å; V129-Y296 HydrophobicContact CG1-CG 3.8Å; V129-Y296 HydrophobicContact CG2-CD1 4.12Å; V129-Y296 HydrophobicContact CG2-CG 4.2Å; R164-Y296 PolarHBondContact O-OH 3.08Å; P166-Y296 HydrophobicContact CG-CD2 3.98Å; P166-Y296 HydrophobicContact CG-CE2 3.88Å; L294-Y296 PolarHBondContact O-N 2.9Å; Y296-K298 HydrophobicContact CE1-CB 4.35Å; Y296-N550 WeakPolarHBondContact OH-CB 3.4Å; Y296-N550 VanDerWaalsContact OH-CG 3.3Å; Y296-N550 PolarHBondContact OH-OD1 3.46Å
297	Q	93.4	Very high	96.2	Very high	135 Å²	135	77.9 Å²	77.9	63%	0.631	39%	0.388	S	S	*	.			trans	-134.9	117.7	175.9	-66	-172.5	-2.9	0	0	110.8
298	K	93.7	Very high	96	Very high	66 Å²	66	82.1 Å²	82.1	29%	0.287	41%	0.408	S	S	.	.			trans	-80.8	122.7	171.7	-171.7	176.3	-164.4	172.2	0	110	E130 Y296 L300 S546 N550	E130-K298 IonicContact OE1-NZ 3.63Å; E130-K298 IonicContact OE2-NZ 2.7Å; E130-K298 PolarHBondContact OE2-NZ 3.46Å; Y296-K298 HydrophobicContact CE1-CB 4.35Å; K298-L300 HydrophobicContact CD-CD2 4.12Å; K298-L300 HydrophobicContact CG-CD2 4.12Å; K298-S546 WeakPolarHBondContact CE-O 3.28Å; K298-S546 PolarHBondContact NZ-O 2.83Å; K298-S546 PolarHBondContact NZ-OG 3.13Å; K298-N550 VanDerWaalsContact CD-OD1 3.22Å; K298-N550 WeakPolarHBondContact CD-OD1 3.49Å; K298-N550 VanDerWaalsContact CE-OD1 3.29Å; K298-N550 WeakPolarHBondContact CE-OD1 3.44Å; K298-N550 WeakPolarHBondContact CG-OD1 3.44Å
299	K	92.1	Very high	96	Very high	152 Å²	152	86.2 Å²	86.2	66%	0.661	43%	0.429	S	S	*	.			trans	-114.3	124.1	173.1	-66	-177.7	-178.5	178.2	0	108.5
300	L	93.4	Very high	95.9	Very high	70 Å²	70	82.6 Å²	82.6	37%	0.366	42%	0.415	S	S	.	.			trans	-96.5	124.2	-178.6	-58.3	175.4	0	0	0	109.2	K298 V302 I304 L549	K298-L300 HydrophobicContact CD-CD2 4.12Å; K298-L300 HydrophobicContact CG-CD2 4.12Å; L300-V302 PolarHBondContact O-N 3.34Å; L300-I304 HydrophobicContact CD1-CD1 4Å; L300-I304 HydrophobicContact CD1-CG1 3.56Å; L300-L549 HydrophobicContact CD2-CB 3.69Å; L300-L549 HydrophobicContact CD2-CD1 4.44Å
301	D	91.1	Very high	95.8	Very high	78 Å²	78	87.5 Å²	87.5	42%	0.417	44%	0.441	S	S	.	.	S	Bend	trans	-85.5	8.6	176.2	-64.5	-33.7	0	0	0	113	P552 I553	D301-P552 WeakPolarHBondContact OD2-CA 3.45Å; D301-I553 HydrophobicContact CB-CB 4.41Å; D301-I553 HydrophobicContact CB-CD1 4.31Å; D301-I553 HydrophobicContact CB-CG1 4.25Å; D301-I553 PolarHBondContact OD2-N 3.18Å
302	V	95.2	Very high	95.7	Very high	21 Å²	21	89.3 Å²	89.3	13%	0.127	45%	0.448	C	S	.	.	S	Bend	trans	-126.2	157	-175.9	-60.1	0	0	0	0	111.1	L300 I304 P366 N395 L549 I553	L300-V302 PolarHBondContact O-N 3.34Å; V302-I304 HydrophobicContact CG2-CD1 3.91Å; V302-P366 HydrophobicContact CB-CG 3.82Å; V302-P366 HydrophobicContact CG1-CG 4.33Å; V302-P366 HydrophobicContact CG2-CG 4.32Å; V302-N395 WeakPolarHBondContact CG1-O 3.47Å; V302-L549 HydrophobicContact CG1-CD2 4.11Å; V302-L549 HydrophobicContact CG2-CD1 3.78Å; V302-L549 HydrophobicContact CG2-CD2 4Å; V302-I553 HydrophobicContact CG1-CD1 3.76Å
303	T	95.4	Very high	95.7	Very high	96 Å²	96	84.8 Å²	84.8	59%	0.589	44%	0.44	S	S	*	.			trans	-76.3	132.5	173.5	57.4	0	0	0	0	110.5	R361 P366	T303-R361 PolarHBondContact O-NH1 2.8Å; T303-R361 PolarHBondContact OG1-NH2 2.87Å; T303-P366 VanDerWaalsContact O-CD 3.25Å; T303-P366 WeakPolarHBondContact O-CD 3.44Å
304	I	95.2	Very high	95.6	Very high	79 Å²	79	80.2 Å²	80.2	41%	0.405	42%	0.42	S	S	.	.			trans	-106.8	131.9	174	-54.7	-56.1	0	0	0	109.1	L300 V302 Y365	L300-I304 HydrophobicContact CD1-CD1 4Å; L300-I304 HydrophobicContact CD1-CG1 3.56Å; V302-I304 HydrophobicContact CG2-CD1 3.91Å; I304-Y365 HydrophobicContact CD1-CD1 3.21Å; I304-Y365 HydrophobicContact CD1-CE1 3.41Å; I304-Y365 VanDerWaalsContact CD1-CE1 3.41Å; I304-Y365 HydrophobicContact CD1-CG 4.26Å; I304-Y365 HydrophobicContact CG1-CE1 4.49Å
305	E	95.4	Very high	95.6	Very high	92 Å²	92	81.3 Å²	81.3	43%	0.43	43%	0.426	S	S	.	.			trans	-109.2	161.4	170.2	-78.1	172.6	-152.5	0	0	110.1	S307 R361 G364	E305-S307 PolarHBondContact O-N 2.82Å; E305-R361 VanDerWaalsContact CD-NH2 3.27Å; E305-R361 IonicContact OE1-CZ 3.17Å; E305-R361 IonicContact OE1-NE 3.34Å; E305-R361 PolarHBondContact OE1-NE 3.38Å; E305-R361 IonicContact OE1-NH2 3.55Å; E305-R361 PolarHBondContact OE1-NH2 3.23Å; E305-R361 VanDerWaalsContact OE2-CD 3.26Å; E305-R361 WeakPolarHBondContact OE2-CD 3.23Å; E305-R361 IonicContact OE2-CZ 2.73Å; E305-R361 IonicContact OE2-NE 3.85Å; E305-R361 PolarHBondContact OE2-NE 2.95Å; E305-R361 IonicContact OE2-NH2 2.71Å; E305-G364 PolarHBondContact N-O 3.26Å; E305-G364 WeakPolarHBondContact O-CA 3.44Å
306	P	96.8	Very high	95.6	Very high	112 Å²	112	75.8 Å²	75.8	73%	0.727	40%	0.396	S	S	*	.			trans	-54.6	133.3	169	-24	35	0	0	0	110.7
307	S	96.4	Very high	95.7	Very high	54 Å²	54	72.6 Å²	72.6	38%	0.378	38%	0.383	S	S	.	.			trans	-66.9	136.8	174.7	-179.9	0	0	0	0	110.3	E305 F363	E305-S307 PolarHBondContact O-N 2.82Å; S307-F363 WeakPolarHBondContact OG-CA 3.49Å; S307-F363 WeakPolarHBondContact OG-CD1 3.46Å
308	E	96.4	Very high	96	Very high	89 Å²	89	67.1 Å²	67.1	42%	0.416	36%	0.357	S	S	.	.			trans	-122.1	140.1	169.2	-70	173.9	-132.8	0	0	108.9	D340 R343 R538	E308-D340 HydrophobicContact CB-CB 4.34Å; E308-D340 VanDerWaalsContact O-CA 3.27Å; E308-D340 WeakPolarHBondContact O-CA 3.41Å; E308-D340 WeakPolarHBondContact O-CB 3.37Å; E308-R343 IonicContact OE1-CZ 3.39Å; E308-R343 IonicContact OE1-NH1 2.97Å; E308-R343 IonicContact OE1-NH2 3.37Å; E308-R343 PolarHBondContact OE1-NH2 3.29Å; E308-R343 IonicContact OE2-CZ 2.81Å; E308-R343 IonicContact OE2-NH1 2.72Å; E308-R343 PolarHBondContact OE2-NH1 3.04Å; E308-R343 IonicContact OE2-NH2 2.69Å; E308-R343 PolarHBondContact OE2-NH2 2.85Å; E308-R343 VanDerWaalsContact OE2-NH2 3.15Å; E308-R538 PolarHBondContact O-NH2 3.49Å
309	E	97.5	Very high	96.1	Very high	125 Å²	125	64.1 Å²	64.1	58%	0.584	35%	0.345	S	S	*	.			trans	-66.1	152	173.8	-67.9	-53.2	142.9	0	0	111.4	G341 R538	E309-G341 WeakPolarHBondContact O-CA 3.39Å; E309-G341 PolarHBondContact O-N 2.93Å; E309-G341 VanDerWaalsContact O-N 3.1Å; E309-R538 IonicContact OE2-NE 3.06Å; E309-R538 PolarHBondContact OE2-NE 3.28Å; E309-R538 IonicContact OE2-NH2 3.3Å
310	P	97.8	Very high	96.4	Very high	21 Å²	21	58 Å²	58	14%	0.136	32%	0.319	C	S	.	.			trans	-60.8	154.5	169.4	-17.3	31.8	0	0	0	110.7	F312 R337	P310-F312 VanDerWaalsContact C-N 3.25Å; P310-F312 PolarHBondContact O-N 2.87Å; P310-R337 WeakPolarHBondContact CG-O 3.29Å
311	L	96.9	Very high	96.5	Very high	107 Å²	107	55 Å²	55	56%	0.56	30%	0.304	S	S	*	.	S	Bend	trans	-71.3	-23.1	177.8	-62	177.3	0	0	0	112.9	S342	L311-S342 WeakPolarHBondContact CB-OG 3.26Å; L311-S342 PolarHBondContact N-OG 2.78Å
312	F	96.9	Very high	96.8	Very high	38 Å²	38	51.3 Å²	51.3	17%	0.167	28%	0.284	C	S	.	.	S	Bend	trans	-113	140.7	-174.4	-59.3	-80.6	0	0	0	111.1	L31 G32 Q34 P310 A336 R337	L31-F312 VanDerWaalsContact O-CE2 3.3Å; L31-F312 WeakPolarHBondContact O-CE2 3.39Å; G32-F312 WeakPolarHBondContact O-CZ 3.28Å; Q34-F312 HydrophobicContact CB-CE1 4.49Å; P310-F312 VanDerWaalsContact C-N 3.25Å; P310-F312 PolarHBondContact O-N 2.87Å; F312-A336 HydrophobicContact CD2-CB 4.24Å; F312-R337 HydrophobicContact CB-CG 3.68Å
313	P	97	Very high	96.8	Very high	64 Å²	64	51.7 Å²	51.7	42%	0.416	29%	0.289	S	S	.	.			trans	-57.4	143.3	174.4	-23.5	32.8	0	0	0	113.1	D315 E316	P313-D315 WeakPolarHBondContact CB-OD1 3.41Å; P313-E316 HydrophobicContact CB-CG 4.22Å; P313-E316 HydrophobicContact CG-CG 4.5Å; P313-E316 WeakPolarHBondContact O-CB 3.13Å; P313-E316 PolarHBondContact O-N 3.1Å
314	A	97.3	Very high	96.7	Very high	34 Å²	34	49.8 Å²	49.8	28%	0.281	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-71.9	-30.3	-177.5	0	0	0	0	0	113.2	E316 L317 A535	A314-E316 PolarHBondContact O-N 2.88Å; A314-L317 VanDerWaalsContact O-CB 3.25Å; A314-L317 WeakPolarHBondContact O-CB 3.5Å; A314-L317 WeakPolarHBondContact O-CD1 3.36Å; A314-L317 WeakPolarHBondContact O-CG 3.26Å; A314-L317 PolarHBondContact O-N 2.86Å; A314-L317 VanDerWaalsContact O-N 3.17Å; A314-A535 HydrophobicContact CB-CB 4.25Å; A314-A535 WeakPolarHBondContact CB-O 3.15Å
315	D	96.6	Very high	96.6	Very high	70 Å²	70	48.6 Å²	48.6	37%	0.374	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.7	179.5	65.8	-33.2	0	0	0	113	P313 L317 Y318	P313-D315 WeakPolarHBondContact CB-OD1 3.41Å; D315-L317 PolarHBondContact O-N 2.8Å; D315-L317 VanDerWaalsContact O-N 3.13Å; D315-Y318 HydrophobicContact CB-CD2 4.32Å; D315-Y318 HydrophobicContact CB-CE2 4.05Å; D315-Y318 WeakPolarHBondContact O-CB 3.47Å; D315-Y318 WeakPolarHBondContact O-CD2 3.26Å; D315-Y318 VanDerWaalsContact O-CG 3.29Å; D315-Y318 PolarHBondContact O-N 3.34Å; D315-Y318 VanDerWaalsContact O-N 3.09Å
316	E	97.6	Very high	96.3	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.093	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21.2	171.1	-70.2	-178.5	173.9	0	0	112.9	P35 Y42 P313 A314 Y318 G319 I320 R337	P35-E316 WeakPolarHBondContact CD-OE2 3.37Å; P35-E316 HydrophobicContact CG-CB 4.46Å; P35-E316 HydrophobicContact CG-CG 4.27Å; Y42-E316 WeakPolarHBondContact OH-CA 3.21Å; P313-E316 HydrophobicContact CB-CG 4.22Å; P313-E316 HydrophobicContact CG-CG 4.5Å; P313-E316 WeakPolarHBondContact O-CB 3.13Å; P313-E316 PolarHBondContact O-N 3.1Å; A314-E316 PolarHBondContact O-N 2.88Å; E316-Y318 PolarHBondContact O-N 3.01Å; E316-Y318 VanDerWaalsContact O-N 3.16Å; E316-G319 PolarHBondContact O-N 3.22Å; E316-I320 HydrophobicContact CB-CD1 4.29Å; E316-I320 WeakPolarHBondContact O-CD1 3.42Å; E316-I320 WeakPolarHBondContact O-CG1 3.28Å; E316-I320 PolarHBondContact O-N 3.02Å; E316-R337 IonicContact OE2-CZ 3.6Å; E316-R337 IonicContact OE2-NE 3.15Å; E316-R337 PolarHBondContact OE2-NE 3.26Å; E316-R337 IonicContact OE2-NH2 3.55Å; E316-R337 PolarHBondContact OE2-NH2 2.82Å
317	L	98.3	Very high	96.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-29.2	174	-69.6	173.9	0	0	0	112.6	A314 D315 I320 V321 V334 R337 W465 P534	A314-L317 VanDerWaalsContact O-CB 3.25Å; A314-L317 WeakPolarHBondContact O-CB 3.5Å; A314-L317 WeakPolarHBondContact O-CD1 3.36Å; A314-L317 WeakPolarHBondContact O-CG 3.26Å; A314-L317 PolarHBondContact O-N 2.86Å; A314-L317 VanDerWaalsContact O-N 3.17Å; D315-L317 PolarHBondContact O-N 2.8Å; D315-L317 VanDerWaalsContact O-N 3.13Å; L317-I320 PolarHBondContact O-N 3.12Å; L317-V321 PolarHBondContact O-N 3.3Å; L317-V321 VanDerWaalsContact O-N 3.1Å; L317-V334 HydrophobicContact CD2-CB 4.17Å; L317-V334 HydrophobicContact CD2-CG1 4.06Å; L317-V334 HydrophobicContact CD2-CG2 4.08Å; L317-R337 HydrophobicContact CD1-CB 4.45Å; L317-R337 HydrophobicContact CD2-CB 3.99Å; L317-R337 HydrophobicContact CD2-CG 4.49Å; L317-R337 HydrophobicContact CG-CB 4.15Å; L317-W465 HydrophobicContact CB-CH2 4.46Å; L317-W465 HydrophobicContact CD1-CH2 4.27Å; L317-W465 HydrophobicContact CD1-CZ2 4.26Å; L317-W465 HydrophobicContact CD2-CH2 4.28Å; L317-P534 HydrophobicContact CB-CB 4.19Å; L317-P534 HydrophobicContact CD1-CB 4.49Å; L317-P534 VanDerWaalsContact CD1-O 3.22Å; L317-P534 WeakPolarHBondContact CD1-O 3.36Å
318	Y	98.4	Very high	96	Very high	21 Å²	21	54.3 Å²	54.3	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-46.5	178.5	-57.9	-21.2	0	0	0	111.9	N45 Y46 M49 V53 D315 E316 G322 D533 P534 A535	N45-Y318 CarbonylContact C-O 3.53Å; Y46-Y318 HydrophobicContact CD2-CD2 4.21Å; Y46-Y318 HydrophobicContact CD2-CG 4.45Å; Y46-Y318 AromaticContact CE2-CD2 3.7Å; Y46-Y318 HydrophobicContact CE2-CD2 3.7Å; Y46-Y318 HydrophobicContact CE2-CG 4.34Å; Y46-Y318 AromaticContact CZ-CD2 3.95Å; M49-Y318 HydrophobicContact CB-CG 4.47Å; M49-Y318 HydrophobicContact CG-CD1 3.65Å; M49-Y318 HydrophobicContact CG-CE1 4.47Å; M49-Y318 HydrophobicContact CG-CG 4.08Å; V53-Y318 HydrophobicContact CG2-CE1 4.09Å; D315-Y318 HydrophobicContact CB-CD2 4.32Å; D315-Y318 HydrophobicContact CB-CE2 4.05Å; D315-Y318 WeakPolarHBondContact O-CB 3.47Å; D315-Y318 WeakPolarHBondContact O-CD2 3.26Å; D315-Y318 VanDerWaalsContact O-CG 3.29Å; D315-Y318 PolarHBondContact O-N 3.34Å; D315-Y318 VanDerWaalsContact O-N 3.09Å; E316-Y318 PolarHBondContact O-N 3.01Å; E316-Y318 VanDerWaalsContact O-N 3.16Å; Y318-G322 WeakPolarHBondContact O-CA 3.36Å; Y318-G322 PolarHBondContact O-N 3.36Å; Y318-G322 VanDerWaalsContact O-N 3.09Å; Y318-D533 WeakPolarHBondContact CE1-OD1 3.34Å; Y318-D533 PolarHBondContact OH-OD1 3.48Å; Y318-D533 PolarHBondContact OH-OD2 3.04Å; Y318-P534 HydrophobicContact CD1-CB 4.09Å; Y318-P534 HydrophobicContact CD1-CG 4.24Å; Y318-P534 HydrophobicContact CE1-CB 3.93Å; Y318-P534 HydrophobicContact CE1-CG 4.11Å; Y318-A535 HydrophobicContact CE1-CB 4.15Å; Y318-A535 WeakPolarHBondContact OH-CB 3.48Å
319	G	97.4	Very high	96	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-79.6	-23	-179.6	0	0	0	0	0	114.1	N45 E316	N45-G319 WeakPolarHBondContact CB-O 3.21Å; N45-G319 PolarHBondContact ND2-O 3.16Å; E316-G319 PolarHBondContact O-N 3.22Å
320	I	97.1	Very high	96	Very high	24 Å²	24	48.6 Å²	48.6	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-76.2	-51.8	178.1	-70.9	159.5	0	0	0	111.5	E316 L317 E333	E316-I320 HydrophobicContact CB-CD1 4.29Å; E316-I320 WeakPolarHBondContact O-CD1 3.42Å; E316-I320 WeakPolarHBondContact O-CG1 3.28Å; E316-I320 PolarHBondContact O-N 3.02Å; L317-I320 PolarHBondContact O-N 3.12Å; I320-E333 HydrophobicContact CD1-CB 4.21Å; I320-E333 HydrophobicContact CG2-CB 3.83Å
321	V	97.1	Very high	96	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-90.2	-43.4	-173.5	176.8	0	0	0	0	111.6	M49 L317 F329 V334 W465	M49-V321 HydrophobicContact CE-CB 4.5Å; M49-V321 HydrophobicContact CE-CG1 4.39Å; L317-V321 PolarHBondContact O-N 3.3Å; L317-V321 VanDerWaalsContact O-N 3.1Å; V321-F329 HydrophobicContact CB-CD1 4.5Å; V321-F329 HydrophobicContact CB-CE1 4.33Å; V321-F329 HydrophobicContact CB-CZ 4.44Å; V321-F329 HydrophobicContact CG1-CD1 4.23Å; V321-F329 HydrophobicContact CG1-CE1 3.68Å; V321-F329 HydrophobicContact CG1-CZ 3.9Å; V321-F329 HydrophobicContact CG2-CD1 4.35Å; V321-F329 HydrophobicContact CG2-CD2 3.95Å; V321-F329 HydrophobicContact CG2-CE1 4.18Å; V321-F329 HydrophobicContact CG2-CE2 3.75Å; V321-F329 HydrophobicContact CG2-CG 4.25Å; V321-F329 HydrophobicContact CG2-CZ 3.87Å; V321-V334 HydrophobicContact CG2-CG2 3.68Å; V321-W465 HydrophobicContact CB-CZ3 3.9Å; V321-W465 HydrophobicContact CG1-CE3 4.25Å; V321-W465 HydrophobicContact CG1-CZ3 3.88Å; V321-W465 HydrophobicContact CG2-CH2 4.29Å; V321-W465 HydrophobicContact CG2-CZ3 3.71Å
322	G	96	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.			trans	60.9	-173.2	-179.5	0	0	0	0	0	114.7	M49 Y318 N467	M49-G322 WeakPolarHBondContact CE-O 3.46Å; Y318-G322 WeakPolarHBondContact O-CA 3.36Å; Y318-G322 PolarHBondContact O-N 3.36Å; Y318-G322 VanDerWaalsContact O-N 3.09Å; G322-N467 PolarHBondContact O-ND2 2.82Å; G322-N467 VanDerWaalsContact O-ND2 3.11Å
323	A	94.9	Very high	96.1	Very high	29 Å²	29	44 Å²	44	24%	0.24	23%	0.228	C	C	.	.	S	Bend	trans	-94.1	-15.8	-179	0	0	0	0	0	114	Q48 L52 L325	Q48-A323 HydrophobicContact CB-CB 3.75Å; L52-A323 HydrophobicContact CD1-CB 3.75Å; A323-L325 PolarHBondContact O-N 3.23Å
324	N	94.2	Very high	96.2	Very high	56 Å²	56	40.9 Å²	40.9	30%	0.299	21%	0.208	S	C	.	.			trans	-88.3	99.4	-173.5	-173.7	-15.7	0	0	0	112	K326 R327	N324-K326 PolarHBondContact O-N 3.37Å; N324-K326 WeakPolarHBondContact OD1-CB 3.27Å; N324-K326 PolarHBondContact OD1-N 3.46Å; N324-R327 HydrophobicContact CB-CG 4.11Å; N324-R327 PolarHBondContact ND2-NE 3.46Å; N324-R327 PolarHBondContact O-N 3.06Å
325	L	92.3	Very high	96.3	Very high	54 Å²	54	39.3 Å²	39.3	28%	0.283	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.1	-179.5	-61.9	179.5	0	0	0	115.3	A323 R327 R469	A323-L325 PolarHBondContact O-N 3.23Å; L325-R327 VanDerWaalsContact C-N 3.34Å; L325-R469 HydrophobicContact CD1-CB 3.73Å; L325-R469 HydrophobicContact CD1-CG 3.38Å
326	K	90.3	Very high	96.4	Very high	151 Å²	151	36 Å²	36	66%	0.657	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.8	174.5	-59.5	-174.1	179.5	-173.2	0	112.3	N324 E476	N324-K326 PolarHBondContact O-N 3.37Å; N324-K326 WeakPolarHBondContact OD1-CB 3.27Å; N324-K326 PolarHBondContact OD1-N 3.46Å; K326-E476 IonicContact NZ-OE1 2.8Å; K326-E476 PolarHBondContact NZ-OE1 3.42Å; K326-E476 IonicContact NZ-OE2 3.25Å; K326-E476 PolarHBondContact NZ-OE2 2.74Å
327	R	92.5	Very high	96.4	Very high	73 Å²	73	35 Å²	35	28%	0.275	17%	0.172	S	C	.	.	S	Bend	trans	-89.4	132	178.2	-65.3	-178.2	179.3	169.6	-2.7	109.8	L41 E44 N45 N324 L325	L41-R327 VanDerWaalsContact CD1-NH1 3.31Å; E44-R327 VanDerWaalsContact CD-NH1 3.28Å; E44-R327 VanDerWaalsContact CD-NH2 3.3Å; E44-R327 IonicContact OE1-CZ 3.03Å; E44-R327 IonicContact OE1-NH1 2.95Å; E44-R327 IonicContact OE1-NH2 3.23Å; E44-R327 PolarHBondContact OE1-NH2 3.44Å; E44-R327 VanDerWaalsContact OE1-NH2 3.15Å; E44-R327 IonicContact OE2-CZ 3.12Å; E44-R327 VanDerWaalsContact OE2-CZ 3.25Å; E44-R327 IonicContact OE2-NH1 2.76Å; E44-R327 PolarHBondContact OE2-NH1 3.47Å; E44-R327 IonicContact OE2-NH2 3.39Å; E44-R327 PolarHBondContact OE2-NH2 3Å; N45-R327 PolarHBondContact OD1-NH1 3.38Å; N324-R327 HydrophobicContact CB-CG 4.11Å; N324-R327 PolarHBondContact ND2-NE 3.46Å; N324-R327 PolarHBondContact O-N 3.06Å; L325-R327 VanDerWaalsContact C-N 3.34Å
328	N	93.4	Very high	96.4	Very high	155 Å²	155	35 Å²	35	83%	0.829	17%	0.172	S	C	*	.			trans	-81.4	147.2	173.3	-64.7	-26.7	0	0	0	109.9
329	F	96.1	Very high	96.4	Very high	33 Å²	33	34 Å²	34	15%	0.145	17%	0.168	C	C	.	.			trans	-140.4	158.2	169.5	62.2	-91.4	0	0	0	108.3	V321 V334 N373 N403 I441	V321-F329 HydrophobicContact CB-CD1 4.5Å; V321-F329 HydrophobicContact CB-CE1 4.33Å; V321-F329 HydrophobicContact CB-CZ 4.44Å; V321-F329 HydrophobicContact CG1-CD1 4.23Å; V321-F329 HydrophobicContact CG1-CE1 3.68Å; V321-F329 HydrophobicContact CG1-CZ 3.9Å; V321-F329 HydrophobicContact CG2-CD1 4.35Å; V321-F329 HydrophobicContact CG2-CD2 3.95Å; V321-F329 HydrophobicContact CG2-CE1 4.18Å; V321-F329 HydrophobicContact CG2-CE2 3.75Å; V321-F329 HydrophobicContact CG2-CG 4.25Å; V321-F329 HydrophobicContact CG2-CZ 3.87Å; F329-V334 HydrophobicContact CD2-CG2 4.35Å; F329-V334 HydrophobicContact CE2-CG2 3.89Å; F329-N373 PolarHBondContact O-OD1 3.47Å; F329-N403 VanDerWaalsContact CE1-ND2 3.27Å; F329-N403 WeakPolarHBondContact CE1-ND2 3.37Å; F329-N403 HydrophobicContact CZ-CB 4.37Å; F329-N403 WeakPolarHBondContact CZ-ND2 3.35Å; F329-I441 HydrophobicContact CE2-CD1 4.03Å; F329-I441 HydrophobicContact CZ-CD1 3.93Å; F329-I441 HydrophobicContact CZ-CG1 4.37Å
330	D	97.4	Very high	96.5	Very high	61 Å²	61	34 Å²	34	33%	0.326	17%	0.168	S	C	.	.			trans	-81.6	118.9	173.7	-168	-19.9	0	0	0	110	R332 E333 N373	D330-R332 PolarHBondContact O-N 3.12Å; D330-R332 VanDerWaalsContact O-N 3.12Å; D330-R332 VanDerWaalsContact OD1-CB 3.27Å; D330-R332 WeakPolarHBondContact OD1-CB 3.16Å; D330-R332 VanDerWaalsContact OD1-CG 3.29Å; D330-R332 WeakPolarHBondContact OD1-CG 3.31Å; D330-R332 PolarHBondContact OD1-N 2.84Å; D330-R332 IonicContact OD1-NH1 2.87Å; D330-R332 PolarHBondContact OD1-NH1 2.61Å; D330-R332 IonicContact OD2-NH1 2.86Å; D330-R332 PolarHBondContact OD2-NH1 3.31Å; D330-E333 HydrophobicContact CB-CG 4.44Å; D330-E333 WeakPolarHBondContact O-CB 3.45Å; D330-E333 PolarHBondContact O-N 3.47Å; D330-N373 WeakPolarHBondContact CA-OD1 3.38Å; D330-N373 PolarHBondContact OD1-OD1 2.73Å
331	V	98.4	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-21.2	178	70	0	0	0	0	112.7	E333 V334 I335 V356 N372 N373 L401 I441	V331-E333 PolarHBondContact O-N 2.97Å; V331-V334 WeakPolarHBondContact O-CB 3.37Å; V331-V334 PolarHBondContact O-N 2.94Å; V331-I335 WeakPolarHBondContact O-CG1 3.38Å; V331-I335 PolarHBondContact O-N 2.88Å; V331-V356 HydrophobicContact CG1-CB 3.75Å; V331-V356 HydrophobicContact CG1-CG1 4.47Å; V331-V356 HydrophobicContact CG1-CG2 3.49Å; V331-V356 VanDerWaalsContact CG1-CG2 3.49Å; V331-N372 WeakPolarHBondContact CB-O 3.45Å; V331-N373 HydrophobicContact CG1-CB 4.06Å; V331-N373 PolarHBondContact N-OD1 2.82Å; V331-L401 HydrophobicContact CG2-CB 4.25Å; V331-L401 HydrophobicContact CG2-CD1 3.99Å; V331-I441 HydrophobicContact CG2-CD1 4.12Å
332	R	98.3	Very high	96.5	Very high	40 Å²	40	32.9 Å²	32.9	15%	0.151	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-31.1	172.9	-68	176.6	-171.5	80	-3.9	112.6	L31 D330 V334 I335 A336 E346 V356	L31-R332 HydrophobicContact CD1-CB 4.09Å; L31-R332 HydrophobicContact CD1-CG 4.24Å; D330-R332 PolarHBondContact O-N 3.12Å; D330-R332 VanDerWaalsContact O-N 3.12Å; D330-R332 VanDerWaalsContact OD1-CB 3.27Å; D330-R332 WeakPolarHBondContact OD1-CB 3.16Å; D330-R332 VanDerWaalsContact OD1-CG 3.29Å; D330-R332 WeakPolarHBondContact OD1-CG 3.31Å; D330-R332 PolarHBondContact OD1-N 2.84Å; D330-R332 IonicContact OD1-NH1 2.87Å; D330-R332 PolarHBondContact OD1-NH1 2.61Å; D330-R332 IonicContact OD2-NH1 2.86Å; D330-R332 PolarHBondContact OD2-NH1 3.31Å; R332-V334 VanDerWaalsContact C-N 3.31Å; R332-V334 PolarHBondContact O-N 3.09Å; R332-I335 PolarHBondContact O-N 3.16Å; R332-A336 WeakPolarHBondContact O-CB 3.23Å; R332-A336 PolarHBondContact O-N 3.04Å; R332-E346 IonicContact CZ-OE1 3.68Å; R332-E346 IonicContact CZ-OE2 3.61Å; R332-E346 IonicContact NE-OE1 2.87Å; R332-E346 IonicContact NE-OE2 2.74Å; R332-E346 PolarHBondContact NE-OE2 3.49Å; R332-E346 IonicContact NH2-OE1 3.97Å; R332-E346 PolarHBondContact NH2-OE1 3.02Å; R332-E346 IonicContact NH2-OE2 2.8Å; R332-E346 PolarHBondContact NH2-OE2 3.14Å; R332-V356 HydrophobicContact CG-CG1 4.11Å; R332-V356 HydrophobicContact CG-CG2 4.42Å; R332-V356 VanDerWaalsContact CZ-CG2 3.48Å
333	E	98.3	Very high	96.5	Very high	28 Å²	28	36.4 Å²	36.4	13%	0.131	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-31	175.8	-66.9	-62	159.1	0	0	112.1	T33 I320 D330 V331 R337	T33-E333 PolarHBondContact N-OE1 3.33Å; T33-E333 VanDerWaalsContact N-OE1 3.09Å; T33-E333 PolarHBondContact N-OE2 3.06Å; T33-E333 VanDerWaalsContact N-OE2 3.1Å; T33-E333 PolarHBondContact OG1-OE1 2.91Å; I320-E333 HydrophobicContact CD1-CB 4.21Å; I320-E333 HydrophobicContact CG2-CB 3.83Å; D330-E333 HydrophobicContact CB-CG 4.44Å; D330-E333 WeakPolarHBondContact O-CB 3.45Å; D330-E333 PolarHBondContact O-N 3.47Å; V331-E333 PolarHBondContact O-N 2.97Å; E333-R337 PolarHBondContact O-NH1 2.72Å; E333-R337 IonicContact OE2-CZ 3.56Å; E333-R337 IonicContact OE2-NH1 3.38Å; E333-R337 PolarHBondContact OE2-NH1 3.24Å; E333-R337 IonicContact OE2-NH2 2.72Å
334	V	98.6	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.1	-46.8	170.7	-179.9	0	0	0	0	110.1	L317 V321 F329 V331 R332 A336 R337 I338 L401 I441 W465	L317-V334 HydrophobicContact CD2-CB 4.17Å; L317-V334 HydrophobicContact CD2-CG1 4.06Å; L317-V334 HydrophobicContact CD2-CG2 4.08Å; V321-V334 HydrophobicContact CG2-CG2 3.68Å; F329-V334 HydrophobicContact CD2-CG2 4.35Å; F329-V334 HydrophobicContact CE2-CG2 3.89Å; V331-V334 WeakPolarHBondContact O-CB 3.37Å; V331-V334 PolarHBondContact O-N 2.94Å; R332-V334 VanDerWaalsContact C-N 3.31Å; R332-V334 PolarHBondContact O-N 3.09Å; V334-A336 VanDerWaalsContact C-N 3.3Å; V334-A336 PolarHBondContact O-N 2.89Å; V334-R337 PolarHBondContact O-N 2.87Å; V334-R337 VanDerWaalsContact O-N 3.13Å; V334-I338 PolarHBondContact O-N 3.05Å; V334-L401 HydrophobicContact CG1-CD1 4.39Å; V334-I441 HydrophobicContact CG1-CD1 4.48Å; V334-I441 HydrophobicContact CG2-CD1 4.28Å; V334-W465 HydrophobicContact CG1-CH2 4.04Å; V334-W465 HydrophobicContact CG1-CZ2 4.43Å; V334-W465 HydrophobicContact CG2-CH2 4.42Å
335	I	98.8	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-45.7	178.6	-65.5	171.2	0	0	0	110.7	L31 V331 R332 R337 I338 V339 F344 V356 I369 L401	L31-I335 HydrophobicContact CD1-CB 4.5Å; L31-I335 HydrophobicContact CD1-CG2 4.14Å; V331-I335 WeakPolarHBondContact O-CG1 3.38Å; V331-I335 PolarHBondContact O-N 2.88Å; R332-I335 PolarHBondContact O-N 3.16Å; I335-R337 PolarHBondContact O-N 3.27Å; I335-R337 VanDerWaalsContact O-N 3.1Å; I335-I338 WeakPolarHBondContact O-CG1 3.4Å; I335-I338 PolarHBondContact O-N 2.69Å; I335-I338 VanDerWaalsContact O-N 3.09Å; I335-V339 HydrophobicContact CG2-CG1 3.83Å; I335-V339 HydrophobicContact CG2-CG2 4.21Å; I335-V339 WeakPolarHBondContact O-CG2 3.36Å; I335-V339 PolarHBondContact O-N 3.27Å; I335-V339 VanDerWaalsContact O-N 3.12Å; I335-F344 HydrophobicContact CD1-CE2 4.18Å; I335-F344 HydrophobicContact CD1-CZ 4.03Å; I335-F344 HydrophobicContact CG2-CB 4.28Å; I335-F344 HydrophobicContact CG2-CD2 3.76Å; I335-F344 HydrophobicContact CG2-CE2 4.2Å; I335-F344 HydrophobicContact CG2-CG 4.07Å; I335-V356 HydrophobicContact CD1-CG1 4.15Å; I335-I369 HydrophobicContact CD1-CG2 3.98Å; I335-I369 HydrophobicContact CG1-CG2 4.18Å; I335-I369 HydrophobicContact CG2-CD1 4.01Å; I335-L401 HydrophobicContact CG1-CD1 3.82Å
336	A	98.4	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-26.6	-179.5	0	0	0	0	0	113.9	L31 F312 R332 V334 S342	L31-A336 HydrophobicContact CB-CB 4.02Å; F312-A336 HydrophobicContact CD2-CB 4.24Å; R332-A336 WeakPolarHBondContact O-CB 3.23Å; R332-A336 PolarHBondContact O-N 3.04Å; V334-A336 VanDerWaalsContact C-N 3.3Å; V334-A336 PolarHBondContact O-N 2.89Å; A336-S342 VanDerWaalsContact O-CB 3.3Å; A336-S342 WeakPolarHBondContact O-CB 3.39Å; A336-S342 PolarHBondContact O-OG 2.97Å
337	R	98.4	Very high	97.4	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-95.6	-5.3	-178.2	-74.7	162.2	-175.2	78.6	4	114	T33 P310 F312 E316 L317 E333 V334 I335	T33-R337 PolarHBondContact O-NH2 2.65Å; P310-R337 WeakPolarHBondContact CG-O 3.29Å; F312-R337 HydrophobicContact CB-CG 3.68Å; E316-R337 IonicContact OE2-CZ 3.6Å; E316-R337 IonicContact OE2-NE 3.15Å; E316-R337 PolarHBondContact OE2-NE 3.26Å; E316-R337 IonicContact OE2-NH2 3.55Å; E316-R337 PolarHBondContact OE2-NH2 2.82Å; L317-R337 HydrophobicContact CD1-CB 4.45Å; L317-R337 HydrophobicContact CD2-CB 3.99Å; L317-R337 HydrophobicContact CD2-CG 4.49Å; L317-R337 HydrophobicContact CG-CB 4.15Å; E333-R337 PolarHBondContact O-NH1 2.72Å; E333-R337 IonicContact OE2-CZ 3.56Å; E333-R337 IonicContact OE2-NH1 3.38Å; E333-R337 PolarHBondContact OE2-NH1 3.24Å; E333-R337 IonicContact OE2-NH2 2.72Å; V334-R337 PolarHBondContact O-N 2.87Å; V334-R337 VanDerWaalsContact O-N 3.13Å; I335-R337 PolarHBondContact O-N 3.27Å; I335-R337 VanDerWaalsContact O-N 3.1Å
338	I	98.5	Very high	97.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-117.1	-20.3	-178.9	68	176	0	0	0	113.8	V334 I335 L399 L401 T537 R538 L541	V334-I338 PolarHBondContact O-N 3.05Å; I335-I338 WeakPolarHBondContact O-CG1 3.4Å; I335-I338 PolarHBondContact O-N 2.69Å; I335-I338 VanDerWaalsContact O-N 3.09Å; I338-L399 HydrophobicContact CD1-CD2 4.02Å; I338-L401 HydrophobicContact CD1-CD1 4.34Å; I338-L401 HydrophobicContact CD1-CD2 4.46Å; I338-T537 HydrophobicContact CG2-CG2 3.86Å; I338-R538 HydrophobicContact CB-CB 4.42Å; I338-R538 PolarHBondContact O-NH1 3.28Å; I338-L541 HydrophobicContact CD1-CD1 4.09Å
339	V	98.6	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-97.3	152.1	-178	-54	0	0	0	0	113.2	I335 G341 S342 R343 A360 R361 I362 I369	I335-V339 HydrophobicContact CG2-CG1 3.83Å; I335-V339 HydrophobicContact CG2-CG2 4.21Å; I335-V339 WeakPolarHBondContact O-CG2 3.36Å; I335-V339 PolarHBondContact O-N 3.27Å; I335-V339 VanDerWaalsContact O-N 3.12Å; V339-G341 PolarHBondContact O-N 3.35Å; V339-S342 PolarHBondContact O-N 2.93Å; V339-S342 VanDerWaalsContact O-N 3.07Å; V339-R343 WeakPolarHBondContact CG2-O 3.28Å; V339-A360 HydrophobicContact CB-CB 3.81Å; V339-A360 HydrophobicContact CG1-CB 3.56Å; V339-A360 HydrophobicContact CG2-CB 4.27Å; V339-R361 CarbonylContact C-O 3.59Å; V339-R361 WeakPolarHBondContact CA-O 3.28Å; V339-R361 WeakPolarHBondContact CB-O 3.37Å; V339-I362 HydrophobicContact CG1-CG1 4.22Å; V339-I369 HydrophobicContact CG1-CD1 3.56Å
340	D	98.3	Very high	97.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.4	126.5	-176.7	-64.8	-3.8	0	0	0	111.7	E308 S342 R343 R361 I362 F363 G364 R538	E308-D340 HydrophobicContact CB-CB 4.34Å; E308-D340 VanDerWaalsContact O-CA 3.27Å; E308-D340 WeakPolarHBondContact O-CA 3.41Å; E308-D340 WeakPolarHBondContact O-CB 3.37Å; D340-S342 PolarHBondContact O-N 3.45Å; D340-R343 PolarHBondContact O-N 3.06Å; D340-R343 VanDerWaalsContact O-N 3.11Å; D340-R361 HydrophobicContact CB-CB 4.22Å; D340-R361 PolarHBondContact N-O 2.85Å; D340-I362 WeakPolarHBondContact OD1-CA 3.3Å; D340-F363 PolarHBondContact OD1-N 2.92Å; D340-F363 PolarHBondContact OD2-N 2.75Å; D340-G364 WeakPolarHBondContact OD2-CA 3.36Å; D340-G364 PolarHBondContact OD2-N 3.12Å; D340-R538 IonicContact OD1-CZ 3.22Å; D340-R538 IonicContact OD1-NH1 3.47Å; D340-R538 PolarHBondContact OD1-NH1 2.7Å; D340-R538 IonicContact OD1-NH2 2.66Å; D340-R538 PolarHBondContact OD1-NH2 2.9Å
341	G	97.2	Very high	97.9	Very high	5 Å²	5	34.7 Å²	34.7	5%	0.052	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	55.8	20.3	-176.9	0	0	0	0	0	114.2	E309 V339 R343	E309-G341 WeakPolarHBondContact O-CA 3.39Å; E309-G341 PolarHBondContact O-N 2.93Å; E309-G341 VanDerWaalsContact O-N 3.1Å; V339-G341 PolarHBondContact O-N 3.35Å; G341-R343 PolarHBondContact O-N 3.49Å; G341-R343 VanDerWaalsContact O-N 3.07Å
342	S	97.7	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	53.7	24.3	-173.3	-53.4	0	0	0	0	113.9	S30 L31 L311 A336 V339 D340	S30-S342 CarbonylContact C-O 3.48Å; S30-S342 WeakPolarHBondContact CA-O 3.45Å; L31-S342 PolarHBondContact N-O 2.59Å; L31-S342 WeakPolarHBondContact O-CB 3.05Å; L311-S342 WeakPolarHBondContact CB-OG 3.26Å; L311-S342 PolarHBondContact N-OG 2.78Å; A336-S342 VanDerWaalsContact O-CB 3.3Å; A336-S342 WeakPolarHBondContact O-CB 3.39Å; A336-S342 PolarHBondContact O-OG 2.97Å; V339-S342 PolarHBondContact O-N 2.93Å; V339-S342 VanDerWaalsContact O-N 3.07Å; D340-S342 PolarHBondContact O-N 3.45Å
343	R	97.1	Very high	97.7	Very high	75 Å²	75	38.2 Å²	38.2	28%	0.283	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-85.5	129.7	-177.3	-67.9	-175.7	-66.2	-93.4	9.7	111.7	V28 E308 V339 D340 G341 A360	V28-R343 HydrophobicContact CB-CB 4.39Å; V28-R343 HydrophobicContact CG1-CB 3.94Å; E308-R343 IonicContact OE1-CZ 3.39Å; E308-R343 IonicContact OE1-NH1 2.97Å; E308-R343 IonicContact OE1-NH2 3.37Å; E308-R343 PolarHBondContact OE1-NH2 3.29Å; E308-R343 IonicContact OE2-CZ 2.81Å; E308-R343 IonicContact OE2-NH1 2.72Å; E308-R343 PolarHBondContact OE2-NH1 3.04Å; E308-R343 IonicContact OE2-NH2 2.69Å; E308-R343 PolarHBondContact OE2-NH2 2.85Å; E308-R343 VanDerWaalsContact OE2-NH2 3.15Å; V339-R343 WeakPolarHBondContact CG2-O 3.28Å; D340-R343 PolarHBondContact O-N 3.06Å; D340-R343 VanDerWaalsContact O-N 3.11Å; G341-R343 PolarHBondContact O-N 3.49Å; G341-R343 VanDerWaalsContact O-N 3.07Å; R343-A360 WeakPolarHBondContact O-CB 3.19Å
344	F	97.4	Very high	97.7	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.026	19%	0.185	C	C	.	.			trans	-144.8	124.1	178	-177.6	-107.1	0	0	0	111.4	L31 I335 E346 V356 G358 A360 I369	L31-F344 HydrophobicContact CD1-CB 3.32Å; L31-F344 HydrophobicContact CD1-CD1 3.46Å; L31-F344 VanDerWaalsContact CD1-CD1 3.46Å; L31-F344 HydrophobicContact CD1-CE1 4.35Å; L31-F344 HydrophobicContact CD1-CG 3.6Å; L31-F344 HydrophobicContact CG-CB 3.71Å; L31-F344 HydrophobicContact CG-CD1 4.3Å; L31-F344 HydrophobicContact CG-CG 4.42Å; I335-F344 HydrophobicContact CD1-CE2 4.18Å; I335-F344 HydrophobicContact CD1-CZ 4.03Å; I335-F344 HydrophobicContact CG2-CB 4.28Å; I335-F344 HydrophobicContact CG2-CD2 3.76Å; I335-F344 HydrophobicContact CG2-CE2 4.2Å; I335-F344 HydrophobicContact CG2-CG 4.07Å; F344-E346 HydrophobicContact CD1-CB 3.92Å; F344-E346 HydrophobicContact CE1-CB 3.71Å; F344-E346 HydrophobicContact CE1-CG 3.88Å; F344-E346 PolarHBondContact O-N 2.92Å; F344-V356 HydrophobicContact CE1-CG1 3.81Å; F344-V356 HydrophobicContact CZ-CG1 3.93Å; F344-G358 VanDerWaalsContact CE2-CA 3.46Å; F344-G358 VanDerWaalsContact CZ-N 3.32Å; F344-A360 HydrophobicContact CD2-CB 4.08Å; F344-I369 HydrophobicContact CD2-CD1 4.44Å; F344-I369 HydrophobicContact CE2-CB 4.05Å; F344-I369 HydrophobicContact CE2-CD1 4.26Å; F344-I369 HydrophobicContact CE2-CG1 4.44Å
345	T	97.3	Very high	97.7	Very high	72 Å²	72	37.7 Å²	37.7	44%	0.442	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	94.8	175	-55.4	0	0	0	0	108.9	V28 F347 G358 F359	V28-T345 WeakPolarHBondContact CG1-OG1 3.49Å; T345-F347 PolarHBondContact O-N 3.37Å; T345-G358 CarbonylContact O-C 3.46Å; T345-G358 WeakPolarHBondContact O-CA 3.23Å; T345-F359 PolarHBondContact N-O 2.94Å; T345-F359 PolarHBondContact O-N 2.82Å
346	E	97.6	Very high	97.7	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.229	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.2	-177.5	-168.3	167.3	174.7	0	0	111.9	R332 F344 A349 T357	R332-E346 IonicContact CZ-OE1 3.68Å; R332-E346 IonicContact CZ-OE2 3.61Å; R332-E346 IonicContact NE-OE1 2.87Å; R332-E346 IonicContact NE-OE2 2.74Å; R332-E346 PolarHBondContact NE-OE2 3.49Å; R332-E346 IonicContact NH2-OE1 3.97Å; R332-E346 PolarHBondContact NH2-OE1 3.02Å; R332-E346 IonicContact NH2-OE2 2.8Å; R332-E346 PolarHBondContact NH2-OE2 3.14Å; F344-E346 HydrophobicContact CD1-CB 3.92Å; F344-E346 HydrophobicContact CE1-CB 3.71Å; F344-E346 HydrophobicContact CE1-CG 3.88Å; F344-E346 PolarHBondContact O-N 2.92Å; E346-A349 HydrophobicContact CB-CB 4.28Å; E346-A349 HydrophobicContact CG-CB 3.87Å; E346-T357 WeakPolarHBondContact CG-O 3.44Å
347	F	98.3	Very high	97.7	Very high	43 Å²	43	37.7 Å²	37.7	19%	0.189	19%	0.185	C	C	.	.	S	Bend	trans	-92.6	128.6	174.9	177.6	-102.7	0	0	0	109.8	T345 A349 T357 K383 H386 F387	T345-F347 PolarHBondContact O-N 3.37Å; F347-A349 PolarHBondContact O-N 2.96Å; F347-T357 WeakPolarHBondContact CD1-OG1 3.44Å; F347-T357 PolarHBondContact N-O 2.86Å; F347-T357 PolarHBondContact O-OG1 3.44Å; F347-K383 WeakPolarHBondContact O-CE 3.49Å; F347-H386 AromaticContact CZ-CD2 3.93Å; F347-H386 AromaticContact CZ-NE2 3.97Å; F347-F387 HydrophobicContact CB-CD2 3.72Å; F347-F387 HydrophobicContact CB-CE2 3.85Å; F347-F387 HydrophobicContact CD1-CB 3.91Å; F347-F387 AromaticContact CD1-CD2 3.52Å; F347-F387 HydrophobicContact CD1-CD2 3.52Å; F347-F387 HydrophobicContact CD1-CE2 4.48Å; F347-F387 HydrophobicContact CD1-CG 4.11Å; F347-F387 HydrophobicContact CD2-CD2 4.4Å; F347-F387 HydrophobicContact CE1-CB 3.97Å; F347-F387 HydrophobicContact CE1-CD2 4.16Å; F347-F387 AromaticContact CG-CD2 3.64Å; F347-F387 HydrophobicContact CG-CD2 3.64Å; F347-F387 HydrophobicContact CG-CE2 4.21Å
348	K	98.1	Very high	97.7	Very high	69 Å²	69	37.7 Å²	37.7	30%	0.3	18%	0.184	S	C	.	.	S	Bend	trans	51.7	50.3	-178.7	-73	-178.7	176.9	152.7	0	112.8	F350 Y351 K383 H386	K348-F350 PolarHBondContact O-N 2.89Å; K348-F350 VanDerWaalsContact O-N 3.13Å; K348-Y351 HydrophobicContact CD-CD1 4.13Å; K348-Y351 PolarHBondContact O-N 2.88Å; K348-Y351 VanDerWaalsContact O-N 3.13Å; K348-Y351 VanDerWaalsContact O-O 3.05Å; K348-K383 HydrophobicContact CB-CD 3.94Å; K348-K383 HydrophobicContact CB-CG 4.27Å; K348-K383 HydrophobicContact CD-CB 4.4Å; K348-K383 HydrophobicContact CD-CG 4.19Å; K348-K383 WeakPolarHBondContact O-CE 3.4Å; K348-K383 PolarHBondContact O-NZ 3.47Å; K348-H386 PolarHBondContact NZ-ND1 3.44Å
349	A	96.1	Very high	97.7	Very high	34 Å²	34	39.5 Å²	39.5	28%	0.281	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.9	-177.2	0	0	0	0	0	113.7	E346 F347	E346-A349 HydrophobicContact CB-CB 4.28Å; E346-A349 HydrophobicContact CG-CB 3.87Å; F347-A349 PolarHBondContact O-N 2.96Å
350	F	96.5	Very high	97.7	Very high	213 Å²	213	40.1 Å²	40.1	93%	0.934	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	20.1	-177.1	-53.3	-68.5	0	0	0	114.6	K348	K348-F350 PolarHBondContact O-N 2.89Å; K348-F350 VanDerWaalsContact O-N 3.13Å
351	Y	98	Very high	97.7	Very high	89 Å²	89	41.9 Å²	41.9	35%	0.349	20%	0.204	S	C	.	.	S	Bend	trans	-138.1	130.7	178.5	179.5	-94.2	0	0	0	110.1	K348 E379 K382 K383	K348-Y351 HydrophobicContact CD-CD1 4.13Å; K348-Y351 PolarHBondContact O-N 2.88Å; K348-Y351 VanDerWaalsContact O-N 3.13Å; K348-Y351 VanDerWaalsContact O-O 3.05Å; Y351-E379 HydrophobicContact CD1-CB 4.48Å; Y351-E379 HydrophobicContact CE1-CB 3.9Å; Y351-E379 HydrophobicContact CE1-CG 4.44Å; Y351-E379 VanDerWaalsContact CE1-O 3.28Å; Y351-E379 WeakPolarHBondContact CE1-O 3.29Å; Y351-E379 HydrophobicContact CE2-CB 4.11Å; Y351-E379 HydrophobicContact CE2-CG 3.79Å; Y351-K382 VanDerWaalsContact OH-CE 3.28Å; Y351-K382 WeakPolarHBondContact OH-CE 3.42Å; Y351-K383 HydrophobicContact CD1-CB 4.15Å; Y351-K383 HydrophobicContact CE1-CB 4.33Å; Y351-K383 WeakPolarHBondContact O-CD 3.18Å; Y351-K383 PolarHBondContact O-NZ 3.43Å
352	G	96.8	Very high	97.8	Very high	10 Å²	10	41.7 Å²	41.7	10%	0.103	20%	0.202	C	C	.	.	S	Bend	trans	53.7	57.7	-177	0	0	0	0	0	111.9	T354 L355 K383	G352-T354 PolarHBondContact O-N 3.07Å; G352-L355 PolarHBondContact O-N 3.31Å; G352-L355 VanDerWaalsContact O-N 3.1Å; G352-L355 VanDerWaalsContact O-O 3.09Å; G352-K383 PolarHBondContact O-NZ 2.79Å
353	D	96.2	Very high	97.8	Very high	105 Å²	105	44.7 Å²	44.7	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.1	-173.2	60.4	-10.9	0	0	0	114.2	L355	D353-L355 PolarHBondContact O-N 2.82Å
354	T	97.8	Very high	97.9	Very high	17 Å²	17	41.1 Å²	41.1	10%	0.104	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.9	172.2	69.9	0	0	0	0	114.3	G352 N373 V375 F377 S380	G352-T354 PolarHBondContact O-N 3.07Å; T354-N373 PolarHBondContact O-N 3Å; T354-V375 WeakPolarHBondContact CB-O 3.38Å; T354-V375 WeakPolarHBondContact CG2-O 3.41Å; T354-V375 PolarHBondContact OG1-O 3.28Å; T354-F377 HydrophobicContact CG2-CD2 3.95Å; T354-F377 HydrophobicContact CG2-CE2 3.89Å; T354-S380 PolarHBondContact OG1-OG 3.2Å
355	L	98.6	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	106.3	170.5	-171.1	73.2	0	0	0	109.8	G352 D353 T357 I370 L376 S380 K383 M425 M452	G352-L355 PolarHBondContact O-N 3.31Å; G352-L355 VanDerWaalsContact O-N 3.1Å; G352-L355 VanDerWaalsContact O-O 3.09Å; D353-L355 PolarHBondContact O-N 2.82Å; L355-T357 HydrophobicContact CD2-CG2 4.29Å; L355-T357 HydrophobicContact CG-CG2 4.26Å; L355-I370 HydrophobicContact CD1-CG2 3.62Å; L355-I370 HydrophobicContact CD2-CG2 3.98Å; L355-I370 HydrophobicContact CG-CG2 3.92Å; L355-L376 HydrophobicContact CB-CD2 4.31Å; L355-L376 HydrophobicContact CD1-CD2 3.98Å; L355-S380 WeakPolarHBondContact CD2-O 3.37Å; L355-K383 WeakPolarHBondContact O-CE 3.24Å; L355-K383 PolarHBondContact O-NZ 3Å; L355-M425 HydrophobicContact CD2-CE 3.88Å; L355-M425 HydrophobicContact CD2-SD 4.45Å; L355-M452 HydrophobicContact CD1-CE 4.11Å; L355-M452 HydrophobicContact CD1-SD 3.72Å
356	V	98.8	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.5	175.9	-178.6	0	0	0	0	108.5	V331 R332 I335 F344 I370 G371 N373	V331-V356 HydrophobicContact CG1-CB 3.75Å; V331-V356 HydrophobicContact CG1-CG1 4.47Å; V331-V356 HydrophobicContact CG1-CG2 3.49Å; V331-V356 VanDerWaalsContact CG1-CG2 3.49Å; R332-V356 HydrophobicContact CG-CG1 4.11Å; R332-V356 HydrophobicContact CG-CG2 4.42Å; R332-V356 VanDerWaalsContact CZ-CG2 3.48Å; I335-V356 HydrophobicContact CD1-CG1 4.15Å; F344-V356 HydrophobicContact CE1-CG1 3.81Å; F344-V356 HydrophobicContact CZ-CG1 3.93Å; V356-I370 CarbonylContact O-C 3.45Å; V356-I370 WeakPolarHBondContact O-CA 3.41Å; V356-G371 PolarHBondContact N-O 3.48Å; V356-G371 PolarHBondContact O-N 3.24Å; V356-N373 HydrophobicContact CG2-CB 3.99Å
357	T	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.8	177.3	58.1	0	0	0	0	109.9	E346 F347 L355 I369 I370 K383 F387	E346-T357 WeakPolarHBondContact CG-O 3.44Å; F347-T357 WeakPolarHBondContact CD1-OG1 3.44Å; F347-T357 PolarHBondContact N-O 2.86Å; F347-T357 PolarHBondContact O-OG1 3.44Å; L355-T357 HydrophobicContact CD2-CG2 4.29Å; L355-T357 HydrophobicContact CG-CG2 4.26Å; T357-I369 VanDerWaalsContact CA-O 3.25Å; T357-I369 WeakPolarHBondContact CA-O 3.36Å; T357-I370 HydrophobicContact CG2-CG1 4.26Å; T357-I370 HydrophobicContact CG2-CG2 4.19Å; T357-K383 HydrophobicContact CG2-CG 4.13Å; T357-K383 WeakPolarHBondContact OG1-CE 3.38Å; T357-F387 HydrophobicContact CG2-CB 4.1Å; T357-F387 HydrophobicContact CG2-CD1 4.02Å; T357-F387 HydrophobicContact CG2-CG 4.07Å
358	G	98.5	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	175	176.7	0	0	0	0	0	113.9	F344 T345 I369 F387	F344-G358 VanDerWaalsContact CE2-CA 3.46Å; F344-G358 VanDerWaalsContact CZ-N 3.32Å; T345-G358 CarbonylContact O-C 3.46Å; T345-G358 WeakPolarHBondContact O-CA 3.23Å; G358-I369 PolarHBondContact N-O 3.37Å; G358-I369 VanDerWaalsContact N-O 3.07Å; G358-I369 PolarHBondContact O-N 2.92Å; G358-F387 VanDerWaalsContact O-CZ 3.24Å; G358-F387 WeakPolarHBondContact O-CZ 3.32Å
359	F	98.6	Very high	98.1	Very high	40 Å²	40	32.2 Å²	32.2	18%	0.175	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.5	-175.6	-56	-78.7	0	0	0	111	T345 V367 F387 V390 I396	T345-F359 PolarHBondContact N-O 2.94Å; T345-F359 PolarHBondContact O-N 2.82Å; F359-V367 WeakPolarHBondContact CA-O 3.23Å; F359-F387 HydrophobicContact CD1-CE2 4.22Å; F359-F387 HydrophobicContact CD1-CZ 4.12Å; F359-F387 HydrophobicContact CD2-CE2 4.15Å; F359-F387 AromaticContact CE1-CE2 3.71Å; F359-F387 HydrophobicContact CE1-CE2 3.71Å; F359-F387 AromaticContact CE1-CZ 3.87Å; F359-F387 HydrophobicContact CE1-CZ 3.87Å; F359-F387 HydrophobicContact CE2-CD2 4.49Å; F359-F387 AromaticContact CE2-CE2 3.64Å; F359-F387 HydrophobicContact CE2-CE2 3.64Å; F359-F387 HydrophobicContact CE2-CZ 4.45Å; F359-F387 HydrophobicContact CG-CE2 4.42Å; F359-F387 HydrophobicContact CZ-CD2 4.16Å; F359-F387 AromaticContact CZ-CE2 3.38Å; F359-F387 HydrophobicContact CZ-CE2 3.38Å; F359-F387 HydrophobicContact CZ-CZ 4.05Å; F359-V390 HydrophobicContact CZ-CG1 3.78Å; F359-I396 HydrophobicContact CD1-CD1 3.92Å; F359-I396 HydrophobicContact CE1-CD1 3.78Å
360	A	98.3	Very high	98.2	Very high	13 Å²	13	30.6 Å²	30.6	11%	0.107	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-172.9	173.2	0	0	0	0	0	111	V339 R343 F344 V367 I369	V339-A360 HydrophobicContact CB-CB 3.81Å; V339-A360 HydrophobicContact CG1-CB 3.56Å; V339-A360 HydrophobicContact CG2-CB 4.27Å; R343-A360 WeakPolarHBondContact O-CB 3.19Å; F344-A360 HydrophobicContact CD2-CB 4.08Å; A360-V367 HydrophobicContact CB-CG2 4.2Å; A360-V367 PolarHBondContact N-O 2.9Å; A360-V367 WeakPolarHBondContact O-CG2 3.47Å; A360-V367 PolarHBondContact O-N 3.17Å; A360-I369 HydrophobicContact CB-CD1 4.08Å
361	R	98.4	Very high	98.3	Very high	40 Å²	40	20.5 Å²	20.5	15%	0.151	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.6	168.6	-65.9	-174.1	175.8	-86.8	3	111.4	T303 E305 V339 D340 G364 Y365	T303-R361 PolarHBondContact O-NH1 2.8Å; T303-R361 PolarHBondContact OG1-NH2 2.87Å; E305-R361 VanDerWaalsContact CD-NH2 3.27Å; E305-R361 IonicContact OE1-CZ 3.17Å; E305-R361 IonicContact OE1-NE 3.34Å; E305-R361 PolarHBondContact OE1-NE 3.38Å; E305-R361 IonicContact OE1-NH2 3.55Å; E305-R361 PolarHBondContact OE1-NH2 3.23Å; E305-R361 VanDerWaalsContact OE2-CD 3.26Å; E305-R361 WeakPolarHBondContact OE2-CD 3.23Å; E305-R361 IonicContact OE2-CZ 2.73Å; E305-R361 IonicContact OE2-NE 3.85Å; E305-R361 PolarHBondContact OE2-NE 2.95Å; E305-R361 IonicContact OE2-NH2 2.71Å; V339-R361 CarbonylContact C-O 3.59Å; V339-R361 WeakPolarHBondContact CA-O 3.28Å; V339-R361 WeakPolarHBondContact CB-O 3.37Å; D340-R361 HydrophobicContact CB-CB 4.22Å; D340-R361 PolarHBondContact N-O 2.85Å; R361-G364 PolarHBondContact NH1-O 2.87Å; R361-Y365 CarbonylContact C-O 3.6Å; R361-Y365 WeakPolarHBondContact CA-O 3.36Å
362	I	98.6	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.7	171.2	-58.5	178.3	0	0	0	106.7	V339 D340 G364 Y365 V367 L399 R538 L541 F545	V339-I362 HydrophobicContact CG1-CG1 4.22Å; D340-I362 WeakPolarHBondContact OD1-CA 3.3Å; I362-G364 PolarHBondContact O-N 3.36Å; I362-Y365 PolarHBondContact N-O 2.81Å; I362-Y365 WeakPolarHBondContact O-CB 3.49Å; I362-Y365 VanDerWaalsContact O-CD2 3.29Å; I362-Y365 WeakPolarHBondContact O-CD2 3.48Å; I362-Y365 PolarHBondContact O-N 3.47Å; I362-V367 HydrophobicContact CD1-CG2 4.14Å; I362-V367 HydrophobicContact CG1-CG2 3.98Å; I362-L399 HydrophobicContact CD1-CD2 4.06Å; I362-R538 HydrophobicContact CG2-CG 4.41Å; I362-L541 HydrophobicContact CD1-CB 4.45Å; I362-L541 HydrophobicContact CD1-CD1 4.03Å; I362-L541 HydrophobicContact CG2-CB 4.47Å; I362-F545 HydrophobicContact CD1-CE2 4.18Å
363	F	98.3	Very high	98.4	Very high	64 Å²	64	18.1 Å²	18.1	28%	0.281	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	38	-172.5	-71.1	-77.4	0	0	0	113.2	S307 D340 Y365 R538 L539	S307-F363 WeakPolarHBondContact OG-CA 3.49Å; S307-F363 WeakPolarHBondContact OG-CD1 3.46Å; D340-F363 PolarHBondContact OD1-N 2.92Å; D340-F363 PolarHBondContact OD2-N 2.75Å; F363-Y365 HydrophobicContact CB-CD2 4.19Å; F363-Y365 HydrophobicContact CB-CE2 4.27Å; F363-Y365 PolarHBondContact O-N 3.1Å; F363-R538 HydrophobicContact CD2-CG 4.43Å; F363-R538 HydrophobicContact CE2-CG 3.72Å; F363-R538 WeakPolarHBondContact CE2-O 3.34Å; F363-R538 HydrophobicContact CZ-CG 4.22Å; F363-L539 HydrophobicContact CZ-CD1 4.35Å
364	G	98	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-11.3	-178.1	0	0	0	0	0	115.1	E305 D340 R361 I362	E305-G364 PolarHBondContact N-O 3.26Å; E305-G364 WeakPolarHBondContact O-CA 3.44Å; D340-G364 WeakPolarHBondContact OD2-CA 3.36Å; D340-G364 PolarHBondContact OD2-N 3.12Å; R361-G364 PolarHBondContact NH1-O 2.87Å; I362-G364 PolarHBondContact O-N 3.36Å
365	Y	98.4	Very high	98.2	Very high	35 Å²	35	15.7 Å²	15.7	14%	0.137	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.6	177	-59.2	-69.1	0	0	0	110.9	I304 R361 I362 F363 F545 S546 L549	I304-Y365 HydrophobicContact CD1-CD1 3.21Å; I304-Y365 HydrophobicContact CD1-CE1 3.41Å; I304-Y365 VanDerWaalsContact CD1-CE1 3.41Å; I304-Y365 HydrophobicContact CD1-CG 4.26Å; I304-Y365 HydrophobicContact CG1-CE1 4.49Å; R361-Y365 CarbonylContact C-O 3.6Å; R361-Y365 WeakPolarHBondContact CA-O 3.36Å; I362-Y365 PolarHBondContact N-O 2.81Å; I362-Y365 WeakPolarHBondContact O-CB 3.49Å; I362-Y365 VanDerWaalsContact O-CD2 3.29Å; I362-Y365 WeakPolarHBondContact O-CD2 3.48Å; I362-Y365 PolarHBondContact O-N 3.47Å; F363-Y365 HydrophobicContact CB-CD2 4.19Å; F363-Y365 HydrophobicContact CB-CE2 4.27Å; F363-Y365 PolarHBondContact O-N 3.1Å; Y365-F545 HydrophobicContact CD2-CB 4.13Å; Y365-F545 HydrophobicContact CG-CB 4.34Å; Y365-S546 WeakPolarHBondContact OH-CB 3.44Å; Y365-S546 PolarHBondContact OH-OG 3.5Å; Y365-L549 HydrophobicContact CD1-CD1 3.29Å; Y365-L549 HydrophobicContact CE1-CD1 3.64Å; Y365-L549 HydrophobicContact CG-CD1 4.11Å
366	P	98.4	Very high	98.1	Very high	16 Å²	16	15.7 Å²	15.7	10%	0.104	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.5	176.9	30.5	-29.8	0	0	0	109.7	V302 T303 P397	V302-P366 HydrophobicContact CB-CG 3.82Å; V302-P366 HydrophobicContact CG1-CG 4.33Å; V302-P366 HydrophobicContact CG2-CG 4.32Å; T303-P366 VanDerWaalsContact O-CD 3.25Å; T303-P366 WeakPolarHBondContact O-CD 3.44Å; P366-P397 WeakPolarHBondContact O-CD 3.34Å
367	V	98.7	Very high	98.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139	-178.4	-62.1	0	0	0	0	111.1	F359 A360 I362 I369 F545	F359-V367 WeakPolarHBondContact CA-O 3.23Å; A360-V367 HydrophobicContact CB-CG2 4.2Å; A360-V367 PolarHBondContact N-O 2.9Å; A360-V367 WeakPolarHBondContact O-CG2 3.47Å; A360-V367 PolarHBondContact O-N 3.17Å; I362-V367 HydrophobicContact CD1-CG2 4.14Å; I362-V367 HydrophobicContact CG1-CG2 3.98Å; V367-I369 HydrophobicContact CG2-CD1 4.09Å; V367-I369 HydrophobicContact CG2-CG1 3.91Å; V367-F545 HydrophobicContact CB-CZ 4.38Å; V367-F545 HydrophobicContact CG1-CD1 4.39Å; V367-F545 HydrophobicContact CG1-CD2 4.02Å; V367-F545 HydrophobicContact CG1-CE1 3.98Å; V367-F545 HydrophobicContact CG1-CE2 3.58Å; V367-F545 HydrophobicContact CG1-CG 4.43Å; V367-F545 HydrophobicContact CG1-CZ 3.55Å
368	G	98.9	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.4	165.3	0	0	0	0	0	109	P397 L398 L399	G368-P397 PolarHBondContact N-O 3.41Å; G368-L398 CarbonylContact O-C 3.5Å; G368-L398 VanDerWaalsContact O-CA 3.3Å; G368-L398 WeakPolarHBondContact O-CA 3.46Å; G368-L399 PolarHBondContact O-N 3.4Å
369	I	98.9	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.9	-176.5	-51.4	178.4	0	0	0	109.3	I335 V339 F344 T357 G358 A360 V367 F387 L399 L401	I335-I369 HydrophobicContact CD1-CG2 3.98Å; I335-I369 HydrophobicContact CG1-CG2 4.18Å; I335-I369 HydrophobicContact CG2-CD1 4.01Å; V339-I369 HydrophobicContact CG1-CD1 3.56Å; F344-I369 HydrophobicContact CD2-CD1 4.44Å; F344-I369 HydrophobicContact CE2-CB 4.05Å; F344-I369 HydrophobicContact CE2-CD1 4.26Å; F344-I369 HydrophobicContact CE2-CG1 4.44Å; T357-I369 VanDerWaalsContact CA-O 3.25Å; T357-I369 WeakPolarHBondContact CA-O 3.36Å; G358-I369 PolarHBondContact N-O 3.37Å; G358-I369 VanDerWaalsContact N-O 3.07Å; G358-I369 PolarHBondContact O-N 2.92Å; A360-I369 HydrophobicContact CB-CD1 4.08Å; V367-I369 HydrophobicContact CG2-CD1 4.09Å; V367-I369 HydrophobicContact CG2-CG1 3.91Å; I369-F387 WeakPolarHBondContact O-CE1 3.12Å; I369-L399 CarbonylContact C-O 3.58Å; I369-L399 WeakPolarHBondContact CA-O 3.45Å; I369-L399 HydrophobicContact CD1-CD2 4.39Å; I369-L399 HydrophobicContact CG1-CB 4.28Å; I369-L399 HydrophobicContact CG1-CD2 4.25Å; I369-L399 HydrophobicContact CG2-CD2 4.36Å; I369-L399 HydrophobicContact CG2-CG 4.48Å; I369-L401 HydrophobicContact CG2-CD1 3.99Å; I369-L401 HydrophobicContact CG2-CG 4.21Å
370	I	98.9	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	110.8	173.5	-53.8	177	0	0	0	107.1	L355 V356 T357 F387 I388 L398 L399 F400 L401 M452	L355-I370 HydrophobicContact CD1-CG2 3.62Å; L355-I370 HydrophobicContact CD2-CG2 3.98Å; L355-I370 HydrophobicContact CG-CG2 3.92Å; V356-I370 CarbonylContact O-C 3.45Å; V356-I370 WeakPolarHBondContact O-CA 3.41Å; T357-I370 HydrophobicContact CG2-CG1 4.26Å; T357-I370 HydrophobicContact CG2-CG2 4.19Å; I370-F387 HydrophobicContact CD1-CD1 4Å; I370-F387 HydrophobicContact CG1-CD1 3.67Å; I370-F387 HydrophobicContact CG1-CE1 3.93Å; I370-I388 HydrophobicContact CD1-CD1 4.02Å; I370-I388 HydrophobicContact CD1-CG1 3.54Å; I370-L398 HydrophobicContact CD1-CD2 4.12Å; I370-L399 PolarHBondContact N-O 3.21Å; I370-F400 HydrophobicContact CB-CD1 4.12Å; I370-F400 HydrophobicContact CB-CE1 4.36Å; I370-F400 HydrophobicContact CD1-CD1 4.25Å; I370-F400 HydrophobicContact CD1-CE1 3.62Å; I370-F400 HydrophobicContact CD1-CZ 3.94Å; I370-F400 HydrophobicContact CG2-CD1 4.41Å; I370-F400 CarbonylContact O-C 3.47Å; I370-F400 WeakPolarHBondContact O-CA 3.13Å; I370-L401 PolarHBondContact O-N 3.04Å; I370-M452 HydrophobicContact CB-CE 4.45Å; I370-M452 HydrophobicContact CG2-CE 3.86Å; I370-M452 HydrophobicContact CG2-SD 4.12Å; I370-M452 WeakPolarHBondContact O-CE 3.19Å
371	G	98.7	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136	-176.7	0	0	0	0	0	112.7	V356	V356-G371 PolarHBondContact N-O 3.48Å; V356-G371 PolarHBondContact O-N 3.24Å
372	N	98.6	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.2	175.5	-59.5	115.1	0	0	0	111.3	V331 L401 Q402 N403 V404 M452	V331-N372 WeakPolarHBondContact CB-O 3.45Å; N372-L401 PolarHBondContact N-O 3.27Å; N372-L401 VanDerWaalsContact N-O 3.17Å; N372-L401 PolarHBondContact OD1-O 2.94Å; N372-Q402 WeakPolarHBondContact OD1-CA 3.25Å; N372-N403 HydrophobicContact CB-CB 4.26Å; N372-N403 WeakPolarHBondContact CB-O 3.36Å; N372-N403 PolarHBondContact OD1-N 3.28Å; N372-V404 HydrophobicContact CB-CB 4.48Å; N372-M452 PolarHBondContact ND2-SD 2.88Å; N372-M452 VanDerWaalsContact ND2-SD 3.44Å; N372-M452 WeakPolarHBondContact OD1-CE 3.45Å
373	N	97.4	Very high	98	Very high	50 Å²	50	20 Å²	20	27%	0.267	10%	0.103	S	C	.	.	S	Bend	trans	-129	25.5	174.4	-151.5	52	0	0	0	111.1	F329 D330 V331 T354 V356	F329-N373 PolarHBondContact O-OD1 3.47Å; D330-N373 WeakPolarHBondContact CA-OD1 3.38Å; D330-N373 PolarHBondContact OD1-OD1 2.73Å; V331-N373 HydrophobicContact CG1-CB 4.06Å; V331-N373 PolarHBondContact N-OD1 2.82Å; T354-N373 PolarHBondContact O-N 3Å; V356-N373 HydrophobicContact CG2-CB 3.99Å
374	G	95	Very high	98.1	Very high	25 Å²	25	17 Å²	17	26%	0.258	9%	0.089	S	C	.	.	S	Bend	trans	150.6	-168.8	-174.4	0	0	0	0	0	112.8
375	V	95	Very high	98.1	Very high	46 Å²	46	17.3 Å²	17.3	28%	0.279	9%	0.092	S	C	.	.	S	Bend	trans	-66.5	150.3	173.5	-67.6	0	0	0	0	111.5	T354 F377 T405 M408	T354-V375 WeakPolarHBondContact CB-O 3.38Å; T354-V375 WeakPolarHBondContact CG2-O 3.41Å; T354-V375 PolarHBondContact OG1-O 3.28Å; V375-F377 HydrophobicContact CG2-CD2 4.24Å; V375-F377 HydrophobicContact CG2-CE2 3.52Å; V375-F377 HydrophobicContact CG2-CZ 3.84Å; V375-T405 VanDerWaalsContact CG1-OG1 3.3Å; V375-T405 WeakPolarHBondContact CG1-OG1 3.23Å; V375-M408 HydrophobicContact CG2-SD 4.31Å
376	L	97.5	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-83.1	124.8	178.1	-65.1	175.7	0	0	0	111.5	L355 V404 G406 F407 M408	L355-L376 HydrophobicContact CB-CD2 4.31Å; L355-L376 HydrophobicContact CD1-CD2 3.98Å; L376-V404 HydrophobicContact CD1-CG2 4.03Å; L376-V404 HydrophobicContact CG-CG2 4.07Å; L376-G406 PolarHBondContact N-O 3.47Å; L376-F407 HydrophobicContact CB-CD1 3.7Å; L376-F407 HydrophobicContact CB-CD2 4.32Å; L376-F407 HydrophobicContact CB-CE1 3.79Å; L376-F407 HydrophobicContact CB-CE2 4.39Å; L376-F407 HydrophobicContact CB-CG 3.98Å; L376-F407 HydrophobicContact CB-CZ 4.14Å; L376-F407 HydrophobicContact CD1-CD2 4.22Å; L376-F407 HydrophobicContact CD1-CE1 4.2Å; L376-F407 HydrophobicContact CD1-CE2 3.7Å; L376-F407 HydrophobicContact CD1-CZ 3.68Å; L376-F407 CarbonylContact O-C 3.59Å; L376-F407 VanDerWaalsContact O-CA 3.32Å; L376-F407 WeakPolarHBondContact O-CA 3.4Å; L376-M408 PolarHBondContact O-N 2.68Å
377	F	98.1	Very high	98.1	Very high	53 Å²	53	18.8 Å²	18.8	23%	0.232	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-100.9	172	168.7	-67.7	-88.5	0	0	0	110.9	T354 V375 E379 S380 A381 M408 Y413	T354-F377 HydrophobicContact CG2-CD2 3.95Å; T354-F377 HydrophobicContact CG2-CE2 3.89Å; V375-F377 HydrophobicContact CG2-CD2 4.24Å; V375-F377 HydrophobicContact CG2-CE2 3.52Å; V375-F377 HydrophobicContact CG2-CZ 3.84Å; F377-E379 PolarHBondContact O-N 3.13Å; F377-S380 PolarHBondContact N-OG 3.25Å; F377-S380 WeakPolarHBondContact O-CB 3.11Å; F377-S380 PolarHBondContact O-N 2.81Å; F377-S380 VanDerWaalsContact O-N 3.15Å; F377-A381 PolarHBondContact O-N 3.28Å; F377-M408 HydrophobicContact CD1-CB 3.78Å; F377-M408 HydrophobicContact CD1-CG 4.08Å; F377-M408 HydrophobicContact CE1-CB 3.69Å; F377-M408 HydrophobicContact CE1-CG 3.52Å; F377-M408 HydrophobicContact CE1-SD 4.15Å; F377-M408 HydrophobicContact CG-CB 4.49Å; F377-M408 HydrophobicContact CZ-CB 4.31Å; F377-M408 HydrophobicContact CZ-CG 4.16Å; F377-M408 HydrophobicContact CZ-SD 4.22Å; F377-Y413 HydrophobicContact CD1-CD1 4.34Å; F377-Y413 AromaticContact CD1-CE1 3.88Å; F377-Y413 HydrophobicContact CD1-CE1 3.88Å; F377-Y413 AromaticContact CE1-CE1 3.78Å; F377-Y413 HydrophobicContact CE1-CE1 3.78Å; F377-Y413 AromaticContact CE1-CZ 3.94Å
378	S	97.9	Very high	98.1	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-51	-45.1	171.4	-67.4	0	0	0	0	111.7	S380 A381 K382 I418 D421	S378-S380 PolarHBondContact O-N 2.82Å; S378-A381 PolarHBondContact O-N 2.74Å; S378-K382 WeakPolarHBondContact O-CE 3.39Å; S378-K382 WeakPolarHBondContact O-CG 3.38Å; S378-K382 PolarHBondContact O-N 2.9Å; S378-I418 WeakPolarHBondContact OG-CA 3.45Å; S378-D421 WeakPolarHBondContact CB-OD2 3.45Å
379	E	98.2	Very high	98.1	Very high	60 Å²	60	21.7 Å²	21.7	28%	0.28	11%	0.112	S	C	.	.	H	α-helix	trans	-60.8	-45.5	179.5	-67.5	53.5	-115.3	0	0	110.5	Y351 F377 A381 K382 K383	Y351-E379 HydrophobicContact CD1-CB 4.48Å; Y351-E379 HydrophobicContact CE1-CB 3.9Å; Y351-E379 HydrophobicContact CE1-CG 4.44Å; Y351-E379 VanDerWaalsContact CE1-O 3.28Å; Y351-E379 WeakPolarHBondContact CE1-O 3.29Å; Y351-E379 HydrophobicContact CE2-CB 4.11Å; Y351-E379 HydrophobicContact CE2-CG 3.79Å; F377-E379 PolarHBondContact O-N 3.13Å; E379-A381 PolarHBondContact O-N 3.03Å; E379-K382 PolarHBondContact O-N 3.17Å; E379-K382 IonicContact OE1-NZ 3.85Å; E379-K382 PolarHBondContact OE1-NZ 3.27Å; E379-K383 VanDerWaalsContact O-CB 3.28Å; E379-K383 WeakPolarHBondContact O-CB 3.38Å; E379-K383 PolarHBondContact O-N 2.79Å
380	S	97.8	Very high	98.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-45.8	176.7	-42.8	0	0	0	0	110.6	T354 L355 F377 S378 K383 G384	T354-S380 PolarHBondContact OG1-OG 3.2Å; L355-S380 WeakPolarHBondContact CD2-O 3.37Å; F377-S380 PolarHBondContact N-OG 3.25Å; F377-S380 WeakPolarHBondContact O-CB 3.11Å; F377-S380 PolarHBondContact O-N 2.81Å; F377-S380 VanDerWaalsContact O-N 3.15Å; S378-S380 PolarHBondContact O-N 2.82Å; S380-K383 WeakPolarHBondContact O-CB 3.49Å; S380-K383 PolarHBondContact O-N 3.01Å; S380-G384 PolarHBondContact O-N 2.97Å
381	A	98.4	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.1	-42.7	179.1	0	0	0	0	0	112.9	F377 S378 E379 K383 G384 T385 F407 D421 M425	F377-A381 PolarHBondContact O-N 3.28Å; S378-A381 PolarHBondContact O-N 2.74Å; E379-A381 PolarHBondContact O-N 3.03Å; A381-K383 VanDerWaalsContact C-N 3.34Å; A381-K383 PolarHBondContact O-N 2.99Å; A381-G384 PolarHBondContact O-N 3.4Å; A381-T385 WeakPolarHBondContact O-CB 3.41Å; A381-T385 PolarHBondContact O-N 3.26Å; A381-T385 PolarHBondContact O-OG1 2.8Å; A381-F407 HydrophobicContact CB-CE1 4.13Å; A381-D421 HydrophobicContact CB-CB 4.35Å; A381-D421 WeakPolarHBondContact CB-O 3.32Å; A381-M425 HydrophobicContact CB-CB 4.19Å; A381-M425 HydrophobicContact CB-SD 4.31Å
382	K	98.7	Very high	98.1	Very high	66 Å²	66	22.7 Å²	22.7	29%	0.287	12%	0.118	S	C	.	.	H	α-helix	trans	-62.5	-40.2	173.8	-74.1	173.3	-67.8	-158.3	0	111.5	Y351 S378 E379 H386 D421	Y351-K382 VanDerWaalsContact OH-CE 3.28Å; Y351-K382 WeakPolarHBondContact OH-CE 3.42Å; S378-K382 WeakPolarHBondContact O-CE 3.39Å; S378-K382 WeakPolarHBondContact O-CG 3.38Å; S378-K382 PolarHBondContact O-N 2.9Å; E379-K382 PolarHBondContact O-N 3.17Å; E379-K382 IonicContact OE1-NZ 3.85Å; E379-K382 PolarHBondContact OE1-NZ 3.27Å; K382-H386 PolarHBondContact O-N 3.05Å; K382-H386 VanDerWaalsContact O-N 3.12Å; K382-D421 VanDerWaalsContact CD-OD2 3.28Å; K382-D421 WeakPolarHBondContact CD-OD2 3.34Å; K382-D421 WeakPolarHBondContact CE-OD2 3.47Å; K382-D421 HydrophobicContact CG-CB 4.29Å; K382-D421 IonicContact NZ-OD2 3.61Å; K382-D421 PolarHBondContact NZ-OD2 2.96Å
383	K	98.8	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-52.8	174.3	171.5	169.7	174.6	-176.3	0	111.5	F347 K348 Y351 G352 L355 T357 E379 S380 A381 T385 H386 F387	F347-K383 WeakPolarHBondContact O-CE 3.49Å; K348-K383 HydrophobicContact CB-CD 3.94Å; K348-K383 HydrophobicContact CB-CG 4.27Å; K348-K383 HydrophobicContact CD-CB 4.4Å; K348-K383 HydrophobicContact CD-CG 4.19Å; K348-K383 WeakPolarHBondContact O-CE 3.4Å; K348-K383 PolarHBondContact O-NZ 3.47Å; Y351-K383 HydrophobicContact CD1-CB 4.15Å; Y351-K383 HydrophobicContact CE1-CB 4.33Å; Y351-K383 WeakPolarHBondContact O-CD 3.18Å; Y351-K383 PolarHBondContact O-NZ 3.43Å; G352-K383 PolarHBondContact O-NZ 2.79Å; L355-K383 WeakPolarHBondContact O-CE 3.24Å; L355-K383 PolarHBondContact O-NZ 3Å; T357-K383 HydrophobicContact CG2-CG 4.13Å; T357-K383 WeakPolarHBondContact OG1-CE 3.38Å; E379-K383 VanDerWaalsContact O-CB 3.28Å; E379-K383 WeakPolarHBondContact O-CB 3.38Å; E379-K383 PolarHBondContact O-N 2.79Å; S380-K383 WeakPolarHBondContact O-CB 3.49Å; S380-K383 PolarHBondContact O-N 3.01Å; A381-K383 VanDerWaalsContact C-N 3.34Å; A381-K383 PolarHBondContact O-N 2.99Å; K383-T385 PolarHBondContact O-N 3.32Å; K383-H386 PolarHBondContact O-N 3.17Å; K383-F387 WeakPolarHBondContact O-CB 3.45Å; K383-F387 PolarHBondContact O-N 2.96Å
384	G	98.8	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-45.9	178.2	0	0	0	0	0	112.1	S380 A381 H386 F387 I388	S380-G384 PolarHBondContact O-N 2.97Å; A381-G384 PolarHBondContact O-N 3.4Å; G384-H386 PolarHBondContact O-N 3.37Å; G384-F387 PolarHBondContact O-N 3.38Å; G384-I388 WeakPolarHBondContact O-CD1 3.27Å; G384-I388 VanDerWaalsContact O-CG1 3.26Å; G384-I388 WeakPolarHBondContact O-CG1 3.31Å; G384-I388 PolarHBondContact O-N 3.14Å
385	T	98.8	Very high	98.2	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-53.7	-54.6	175.5	-57.1	0	0	0	0	111.6	A381 K383 F387 I388 Q389 K424 M425 A428 F561	A381-T385 WeakPolarHBondContact O-CB 3.41Å; A381-T385 PolarHBondContact O-N 3.26Å; A381-T385 PolarHBondContact O-OG1 2.8Å; K383-T385 PolarHBondContact O-N 3.32Å; T385-F387 PolarHBondContact O-N 2.94Å; T385-I388 PolarHBondContact O-N 2.96Å; T385-Q389 WeakPolarHBondContact O-CG 3.38Å; T385-Q389 PolarHBondContact O-N 3.43Å; T385-Q389 VanDerWaalsContact O-N 3.1Å; T385-K424 HydrophobicContact CG2-CB 3.94Å; T385-K424 VanDerWaalsContact OG1-C 3.29Å; T385-K424 WeakPolarHBondContact OG1-CB 3.34Å; T385-M425 WeakPolarHBondContact OG1-CA 3.35Å; T385-M425 PolarHBondContact OG1-N 2.95Å; T385-A428 HydrophobicContact CG2-CB 4.16Å; T385-F561 HydrophobicContact CG2-CD1 4.23Å; T385-F561 HydrophobicContact CG2-CE1 3.7Å; T385-F561 HydrophobicContact CG2-CZ 4.31Å
386	H	98.9	Very high	98.4	Very high	81 Å²	81	36 Å²	36	38%	0.375	17%	0.165	S	C	.	.	H	α-helix	trans	-63.2	-44.4	-178.9	-174.6	162.2	0	0	0	110.2	F347 K348 K382 K383 G384 I388 Q389 V390	F347-H386 AromaticContact CZ-CD2 3.93Å; F347-H386 AromaticContact CZ-NE2 3.97Å; K348-H386 PolarHBondContact NZ-ND1 3.44Å; K382-H386 PolarHBondContact O-N 3.05Å; K382-H386 VanDerWaalsContact O-N 3.12Å; K383-H386 PolarHBondContact O-N 3.17Å; G384-H386 PolarHBondContact O-N 3.37Å; H386-I388 VanDerWaalsContact C-N 3.34Å; H386-I388 PolarHBondContact O-N 3.45Å; H386-Q389 WeakPolarHBondContact O-CB 3.41Å; H386-Q389 PolarHBondContact O-N 3.15Å; H386-Q389 VanDerWaalsContact O-N 3.12Å; H386-V390 WeakPolarHBondContact O-CG2 3.33Å; H386-V390 PolarHBondContact O-N 3.43Å
387	F	98.9	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-41.5	-179.6	-173.6	-107.4	0	0	0	112.8	F347 T357 G358 F359 I369 I370 K383 G384 T385 Q389 V390 C391 L398	F347-F387 HydrophobicContact CB-CD2 3.72Å; F347-F387 HydrophobicContact CB-CE2 3.85Å; F347-F387 HydrophobicContact CD1-CB 3.91Å; F347-F387 AromaticContact CD1-CD2 3.52Å; F347-F387 HydrophobicContact CD1-CD2 3.52Å; F347-F387 HydrophobicContact CD1-CE2 4.48Å; F347-F387 HydrophobicContact CD1-CG 4.11Å; F347-F387 HydrophobicContact CD2-CD2 4.4Å; F347-F387 HydrophobicContact CE1-CB 3.97Å; F347-F387 HydrophobicContact CE1-CD2 4.16Å; F347-F387 AromaticContact CG-CD2 3.64Å; F347-F387 HydrophobicContact CG-CD2 3.64Å; F347-F387 HydrophobicContact CG-CE2 4.21Å; T357-F387 HydrophobicContact CG2-CB 4.1Å; T357-F387 HydrophobicContact CG2-CD1 4.02Å; T357-F387 HydrophobicContact CG2-CG 4.07Å; G358-F387 VanDerWaalsContact O-CZ 3.24Å; G358-F387 WeakPolarHBondContact O-CZ 3.32Å; F359-F387 HydrophobicContact CD1-CE2 4.22Å; F359-F387 HydrophobicContact CD1-CZ 4.12Å; F359-F387 HydrophobicContact CD2-CE2 4.15Å; F359-F387 AromaticContact CE1-CE2 3.71Å; F359-F387 HydrophobicContact CE1-CE2 3.71Å; F359-F387 AromaticContact CE1-CZ 3.87Å; F359-F387 HydrophobicContact CE1-CZ 3.87Å; F359-F387 HydrophobicContact CE2-CD2 4.49Å; F359-F387 AromaticContact CE2-CE2 3.64Å; F359-F387 HydrophobicContact CE2-CE2 3.64Å; F359-F387 HydrophobicContact CE2-CZ 4.45Å; F359-F387 HydrophobicContact CG-CE2 4.42Å; F359-F387 HydrophobicContact CZ-CD2 4.16Å; F359-F387 AromaticContact CZ-CE2 3.38Å; F359-F387 HydrophobicContact CZ-CE2 3.38Å; F359-F387 HydrophobicContact CZ-CZ 4.05Å; I369-F387 WeakPolarHBondContact O-CE1 3.12Å; I370-F387 HydrophobicContact CD1-CD1 4Å; I370-F387 HydrophobicContact CG1-CD1 3.67Å; I370-F387 HydrophobicContact CG1-CE1 3.93Å; K383-F387 WeakPolarHBondContact O-CB 3.45Å; K383-F387 PolarHBondContact O-N 2.96Å; G384-F387 PolarHBondContact O-N 3.38Å; T385-F387 PolarHBondContact O-N 2.94Å; F387-Q389 VanDerWaalsContact C-N 3.34Å; F387-Q389 PolarHBondContact O-N 2.85Å; F387-V390 PolarHBondContact O-N 3.48Å; F387-C391 PolarHBondContact O-N 2.73Å; F387-C391 PolarHBondContact O-SG 3.3Å; F387-L398 HydrophobicContact CE1-CD2 4.36Å
388	I	98.9	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-45.6	173.6	-68.6	163.8	0	0	0	110.6	I370 G384 T385 H386 V390 C391 C392 L398 F400 A428 V429 A432 F558	I370-I388 HydrophobicContact CD1-CD1 4.02Å; I370-I388 HydrophobicContact CD1-CG1 3.54Å; G384-I388 WeakPolarHBondContact O-CD1 3.27Å; G384-I388 VanDerWaalsContact O-CG1 3.26Å; G384-I388 WeakPolarHBondContact O-CG1 3.31Å; G384-I388 PolarHBondContact O-N 3.14Å; T385-I388 PolarHBondContact O-N 2.96Å; H386-I388 VanDerWaalsContact C-N 3.34Å; H386-I388 PolarHBondContact O-N 3.45Å; I388-V390 VanDerWaalsContact C-N 3.3Å; I388-V390 PolarHBondContact O-N 3.37Å; I388-C391 PolarHBondContact O-N 2.98Å; I388-C392 WeakPolarHBondContact O-CB 3.15Å; I388-C392 PolarHBondContact O-N 2.9Å; I388-C392 PolarHBondContact O-SG 3.39Å; I388-L398 HydrophobicContact CG1-CD1 4.2Å; I388-L398 HydrophobicContact CG2-CD1 4.09Å; I388-F400 HydrophobicContact CD1-CE1 4.49Å; I388-F400 HydrophobicContact CD1-CZ 4.41Å; I388-A428 HydrophobicContact CB-CB 4.09Å; I388-A428 HydrophobicContact CD1-CB 4.06Å; I388-A428 HydrophobicContact CG2-CB 3.85Å; I388-V429 HydrophobicContact CD1-CG2 3.49Å; I388-V429 VanDerWaalsContact CD1-CG2 3.49Å; I388-A432 HydrophobicContact CG2-CB 4.01Å; I388-F558 HydrophobicContact CG2-CE1 4.43Å
389	Q	98.8	Very high	98.6	Very high	63 Å²	63	33.4 Å²	33.4	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-58.4	-42.1	177.1	-69.8	174.1	-40	0	0	112.3	T385 H386 F387 C392 Q393 F558	T385-Q389 WeakPolarHBondContact O-CG 3.38Å; T385-Q389 PolarHBondContact O-N 3.43Å; T385-Q389 VanDerWaalsContact O-N 3.1Å; H386-Q389 WeakPolarHBondContact O-CB 3.41Å; H386-Q389 PolarHBondContact O-N 3.15Å; H386-Q389 VanDerWaalsContact O-N 3.12Å; F387-Q389 VanDerWaalsContact C-N 3.34Å; F387-Q389 PolarHBondContact O-N 2.85Å; Q389-C392 PolarHBondContact O-N 2.65Å; Q389-Q393 WeakPolarHBondContact O-CB 3.35Å; Q389-Q393 PolarHBondContact O-N 3.35Å; Q389-F558 HydrophobicContact CB-CE2 4.32Å; Q389-F558 HydrophobicContact CB-CZ 4.33Å; Q389-F558 HydrophobicContact CG-CD2 4.45Å; Q389-F558 HydrophobicContact CG-CE1 4.38Å; Q389-F558 HydrophobicContact CG-CE2 3.81Å; Q389-F558 HydrophobicContact CG-CZ 3.77Å
390	V	98.8	Very high	98.6	Very high	14 Å²	14	30.5 Å²	30.5	9%	0.085	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-44.4	176.9	175.4	0	0	0	0	111.1	F359 H386 F387 I388 Q393 R394	F359-V390 HydrophobicContact CZ-CG1 3.78Å; H386-V390 WeakPolarHBondContact O-CG2 3.33Å; H386-V390 PolarHBondContact O-N 3.43Å; F387-V390 PolarHBondContact O-N 3.48Å; I388-V390 VanDerWaalsContact C-N 3.3Å; I388-V390 PolarHBondContact O-N 3.37Å; V390-Q393 PolarHBondContact O-N 2.84Å; V390-R394 VanDerWaalsContact CG1-CZ 3.46Å; V390-R394 WeakPolarHBondContact O-CB 3.46Å; V390-R394 VanDerWaalsContact O-CG 3.31Å; V390-R394 WeakPolarHBondContact O-CG 3.48Å; V390-R394 PolarHBondContact O-N 2.97Å
391	C	98.8	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-45.4	178	-64.1	0	0	0	0	111.3	F387 I388 Q393 R394 N395 I396 L398	F387-C391 PolarHBondContact O-N 2.73Å; F387-C391 PolarHBondContact O-SG 3.3Å; I388-C391 PolarHBondContact O-N 2.98Å; C391-Q393 PolarHBondContact O-N 3.42Å; C391-R394 CarbonylContact O-C 3.6Å; C391-R394 PolarHBondContact O-N 2.82Å; C391-R394 VanDerWaalsContact O-N 3.14Å; C391-N395 PolarHBondContact O-N 3.39Å; C391-I396 HydrophobicContact CB-CB 4.2Å; C391-I396 PolarHBondContact O-N 3.38Å; C391-L398 HydrophobicContact CB-CD2 3.68Å; C391-L398 HydrophobicContact CB-CG 4.14Å
392	C	98.6	Very high	98.7	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-42.6	176.1	-68.6	0	0	0	0	112.5	I388 Q389 R394 N395 A432 T556 F558	I388-C392 WeakPolarHBondContact O-CB 3.15Å; I388-C392 PolarHBondContact O-N 2.9Å; I388-C392 PolarHBondContact O-SG 3.39Å; Q389-C392 PolarHBondContact O-N 2.65Å; C392-R394 PolarHBondContact O-N 3.36Å; C392-N395 PolarHBondContact O-N 2.83Å; C392-A432 WeakPolarHBondContact SG-CB 3.24Å; C392-T556 HydrophobicContact CB-CG2 4.09Å; C392-F558 HydrophobicContact CB-CE2 4.31Å; C392-F558 HydrophobicContact CB-CZ 3.93Å
393	Q	98.1	Very high	98.6	Very high	165 Å²	165	28.7 Å²	28.7	77%	0.771	13%	0.133	S	C	*	.	H	α-helix	trans	-64.8	-26.3	178.2	-171.6	176.8	17.3	0	0	112.6	Q389 V390 C391	Q389-Q393 WeakPolarHBondContact O-CB 3.35Å; Q389-Q393 PolarHBondContact O-N 3.35Å; V390-Q393 PolarHBondContact O-N 2.84Å; C391-Q393 PolarHBondContact O-N 3.42Å
394	R	97.9	Very high	98.5	Very high	153 Å²	153	28.7 Å²	28.7	58%	0.577	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	5.7	-176.9	-63.5	175.5	-176	-178.8	1.4	113.4	V390 C391 C392 I396	V390-R394 VanDerWaalsContact CG1-CZ 3.46Å; V390-R394 WeakPolarHBondContact O-CB 3.46Å; V390-R394 VanDerWaalsContact O-CG 3.31Å; V390-R394 WeakPolarHBondContact O-CG 3.48Å; V390-R394 PolarHBondContact O-N 2.97Å; C391-R394 CarbonylContact O-C 3.6Å; C391-R394 PolarHBondContact O-N 2.82Å; C391-R394 VanDerWaalsContact O-N 3.14Å; C392-R394 PolarHBondContact O-N 3.36Å; R394-I396 HydrophobicContact CB-CD1 3.74Å; R394-I396 HydrophobicContact CB-CG1 3.81Å; R394-I396 PolarHBondContact O-N 3.11Å
395	N	97.5	Very high	98.1	Very high	60 Å²	60	32.2 Å²	32.2	32%	0.321	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	38.3	-174.2	-62.8	-24.3	0	0	0	113.4	V302 C391 C392 P397 I553	V302-N395 WeakPolarHBondContact CG1-O 3.47Å; C391-N395 PolarHBondContact O-N 3.39Å; C392-N395 PolarHBondContact O-N 2.83Å; N395-P397 WeakPolarHBondContact O-CD 3.41Å; N395-I553 HydrophobicContact CB-CB 4.39Å; N395-I553 HydrophobicContact CB-CD1 4.04Å; N395-I553 HydrophobicContact CB-CG2 3.91Å; N395-I553 VanDerWaalsContact O-CD1 3.24Å; N395-I553 WeakPolarHBondContact O-CD1 3.4Å
396	I	98.6	Very high	97.8	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.118	16%	0.156	C	C	.	.			trans	-93.8	121.6	179.2	-61.4	172.7	0	0	0	109.1	F359 C391 R394 V434	F359-I396 HydrophobicContact CD1-CD1 3.92Å; F359-I396 HydrophobicContact CE1-CD1 3.78Å; C391-I396 HydrophobicContact CB-CB 4.2Å; C391-I396 PolarHBondContact O-N 3.38Å; R394-I396 HydrophobicContact CB-CD1 3.74Å; R394-I396 HydrophobicContact CB-CG1 3.81Å; R394-I396 PolarHBondContact O-N 3.11Å; I396-V434 WeakPolarHBondContact O-CG2 3.11Å
397	P	98.7	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.			trans	-53.4	147.6	170.6	-27.5	34.8	0	0	0	113.3	P366 G368 N395 P435 F545 L549	P366-P397 WeakPolarHBondContact O-CD 3.34Å; G368-P397 PolarHBondContact N-O 3.41Å; N395-P397 WeakPolarHBondContact O-CD 3.41Å; P397-P435 CarbonylContact C-O 3.52Å; P397-P435 WeakPolarHBondContact CA-O 3.32Å; P397-P435 HydrophobicContact CB-CB 4.21Å; P397-P435 HydrophobicContact CG-CG 4.34Å; P397-F545 HydrophobicContact CB-CD1 3.83Å; P397-F545 HydrophobicContact CB-CE1 3.54Å; P397-F545 HydrophobicContact CG-CD1 4.48Å; P397-L549 HydrophobicContact CG-CD2 4.27Å
398	L	98.9	Very high	97.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.6	-178	-72.8	167	0	0	0	111.8	G368 I370 F387 I388 C391 F400 A432 V434 P435 K436 I437	G368-L398 CarbonylContact O-C 3.5Å; G368-L398 VanDerWaalsContact O-CA 3.3Å; G368-L398 WeakPolarHBondContact O-CA 3.46Å; I370-L398 HydrophobicContact CD1-CD2 4.12Å; F387-L398 HydrophobicContact CE1-CD2 4.36Å; I388-L398 HydrophobicContact CG1-CD1 4.2Å; I388-L398 HydrophobicContact CG2-CD1 4.09Å; C391-L398 HydrophobicContact CB-CD2 3.68Å; C391-L398 HydrophobicContact CB-CG 4.14Å; L398-F400 HydrophobicContact CB-CD2 4.44Å; L398-F400 HydrophobicContact CB-CE2 3.78Å; L398-F400 HydrophobicContact CB-CZ 4.42Å; L398-F400 HydrophobicContact CD1-CE2 4.33Å; L398-F400 HydrophobicContact CD1-CZ 4.3Å; L398-A432 HydrophobicContact CD1-CB 4.48Å; L398-V434 HydrophobicContact CD1-CG2 3.77Å; L398-V434 HydrophobicContact CG-CG2 3.98Å; L398-P435 PolarHBondContact N-O 3.5Å; L398-K436 HydrophobicContact CB-CG 4.33Å; L398-K436 HydrophobicContact CD1-CG 4.42Å; L398-K436 WeakPolarHBondContact O-CA 3.27Å; L398-I437 PolarHBondContact O-N 3.46Å
399	L	98.9	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.7	169.2	177	59.4	0	0	0	109.9	I338 I362 G368 I369 I370 L401 I437 L541 F545	I338-L399 HydrophobicContact CD1-CD2 4.02Å; I362-L399 HydrophobicContact CD1-CD2 4.06Å; G368-L399 PolarHBondContact O-N 3.4Å; I369-L399 CarbonylContact C-O 3.58Å; I369-L399 WeakPolarHBondContact CA-O 3.45Å; I369-L399 HydrophobicContact CD1-CD2 4.39Å; I369-L399 HydrophobicContact CG1-CB 4.28Å; I369-L399 HydrophobicContact CG1-CD2 4.25Å; I369-L399 HydrophobicContact CG2-CD2 4.36Å; I369-L399 HydrophobicContact CG2-CG 4.48Å; I370-L399 PolarHBondContact N-O 3.21Å; L399-L401 HydrophobicContact CD1-CD2 4.19Å; L399-L401 HydrophobicContact CD2-CD2 4.04Å; L399-L401 HydrophobicContact CD2-CG 4.47Å; L399-L401 HydrophobicContact CG-CD2 4Å; L399-L401 HydrophobicContact CG-CG 4.34Å; L399-I437 CarbonylContact C-O 3.55Å; L399-I437 WeakPolarHBondContact CA-O 3.37Å; L399-I437 HydrophobicContact CD1-CB 4.36Å; L399-I437 HydrophobicContact CD1-CG2 4.19Å; L399-L541 HydrophobicContact CD1-CD1 4.14Å; L399-L541 HydrophobicContact CD1-CD2 3.64Å; L399-L541 HydrophobicContact CD2-CD1 3.74Å; L399-F545 HydrophobicContact CB-CZ 4.2Å
400	F	98.9	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.9	173.9	-64.9	-96.8	0	0	0	110.1	I370 I388 L398 V429 K436 I437 T438 L439 M452 C453	I370-F400 HydrophobicContact CB-CD1 4.12Å; I370-F400 HydrophobicContact CB-CE1 4.36Å; I370-F400 HydrophobicContact CD1-CD1 4.25Å; I370-F400 HydrophobicContact CD1-CE1 3.62Å; I370-F400 HydrophobicContact CD1-CZ 3.94Å; I370-F400 HydrophobicContact CG2-CD1 4.41Å; I370-F400 CarbonylContact O-C 3.47Å; I370-F400 WeakPolarHBondContact O-CA 3.13Å; I388-F400 HydrophobicContact CD1-CE1 4.49Å; I388-F400 HydrophobicContact CD1-CZ 4.41Å; L398-F400 HydrophobicContact CB-CD2 4.44Å; L398-F400 HydrophobicContact CB-CE2 3.78Å; L398-F400 HydrophobicContact CB-CZ 4.42Å; L398-F400 HydrophobicContact CD1-CE2 4.33Å; L398-F400 HydrophobicContact CD1-CZ 4.3Å; F400-V429 HydrophobicContact CE1-CG2 4.02Å; F400-V429 HydrophobicContact CZ-CG2 4.04Å; F400-K436 HydrophobicContact CE2-CB 4.27Å; F400-K436 HydrophobicContact CE2-CD 4.45Å; F400-K436 HydrophobicContact CE2-CG 4.19Å; F400-I437 PolarHBondContact N-O 2.99Å; F400-T438 HydrophobicContact CB-CG2 4.36Å; F400-L439 PolarHBondContact O-N 2.93Å; F400-M452 HydrophobicContact CB-CE 4.46Å; F400-M452 VanDerWaalsContact CB-O 3.28Å; F400-M452 WeakPolarHBondContact CB-O 3.5Å; F400-M452 HydrophobicContact CD1-CB 4.48Å; F400-M452 HydrophobicContact CD1-CE 4.1Å; F400-M452 WeakPolarHBondContact CD1-O 3.33Å; F400-M452 HydrophobicContact CD1-SD 4.49Å; F400-M452 WeakPolarHBondContact CG-O 3.41Å; F400-C453 HydrophobicContact CD1-CB 3.98Å; F400-C453 HydrophobicContact CD2-CB 3.53Å; F400-C453 HydrophobicContact CE1-CB 3.99Å; F400-C453 HydrophobicContact CE2-CB 3.56Å; F400-C453 HydrophobicContact CG-CB 3.75Å; F400-C453 HydrophobicContact CZ-CB 3.8Å
401	L	98.9	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	99.8	172.9	-57.8	-179.8	0	0	0	108.8	V331 V334 I335 I338 I369 I370 N372 L399 L439 I441	V331-L401 HydrophobicContact CG2-CB 4.25Å; V331-L401 HydrophobicContact CG2-CD1 3.99Å; V334-L401 HydrophobicContact CG1-CD1 4.39Å; I335-L401 HydrophobicContact CG1-CD1 3.82Å; I338-L401 HydrophobicContact CD1-CD1 4.34Å; I338-L401 HydrophobicContact CD1-CD2 4.46Å; I369-L401 HydrophobicContact CG2-CD1 3.99Å; I369-L401 HydrophobicContact CG2-CG 4.21Å; I370-L401 PolarHBondContact O-N 3.04Å; N372-L401 PolarHBondContact N-O 3.27Å; N372-L401 VanDerWaalsContact N-O 3.17Å; N372-L401 PolarHBondContact OD1-O 2.94Å; L399-L401 HydrophobicContact CD1-CD2 4.19Å; L399-L401 HydrophobicContact CD2-CD2 4.04Å; L399-L401 HydrophobicContact CD2-CG 4.47Å; L399-L401 HydrophobicContact CG-CD2 4Å; L399-L401 HydrophobicContact CG-CG 4.34Å; L401-L439 CarbonylContact C-O 3.57Å; L401-L439 WeakPolarHBondContact CA-O 3.47Å; L401-L439 HydrophobicContact CD2-CB 4.07Å; L401-L439 HydrophobicContact CD2-CD2 4Å; L401-I441 HydrophobicContact CB-CD1 4.13Å
402	Q	98.7	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.4	-175.2	-51.7	-158.8	-11	0	0	111.9	N372 T438 L439 I440 I441 G442 S444 M452	N372-Q402 WeakPolarHBondContact OD1-CA 3.25Å; Q402-T438 HydrophobicContact CG-CG2 3.77Å; Q402-L439 PolarHBondContact N-O 3.44Å; Q402-I440 HydrophobicContact CB-CB 4.45Å; Q402-I440 HydrophobicContact CB-CG1 4.23Å; Q402-I440 HydrophobicContact CB-CG2 4.36Å; Q402-I440 HydrophobicContact CG-CG1 4.33Å; Q402-I441 WeakPolarHBondContact O-CG1 3.45Å; Q402-I441 PolarHBondContact O-N 2.91Å; Q402-G442 PolarHBondContact O-N 2.95Å; Q402-S444 PolarHBondContact OE1-OG 2.82Å; Q402-M452 HydrophobicContact CG-CB 3.8Å; Q402-M452 VanDerWaalsContact NE2-C 3.3Å; Q402-M452 PolarHBondContact NE2-O 3.35Å
403	N	97.8	Very high	96.2	Very high	28 Å²	28	57 Å²	57	15%	0.15	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	68.6	163.8	-176.1	27.2	0	0	0	108.7	F329 N372 I441 G443	F329-N403 VanDerWaalsContact CE1-ND2 3.27Å; F329-N403 WeakPolarHBondContact CE1-ND2 3.37Å; F329-N403 HydrophobicContact CZ-CB 4.37Å; F329-N403 WeakPolarHBondContact CZ-ND2 3.35Å; N372-N403 HydrophobicContact CB-CB 4.26Å; N372-N403 WeakPolarHBondContact CB-O 3.36Å; N372-N403 PolarHBondContact OD1-N 3.28Å; N403-I441 HydrophobicContact CB-CG1 4.13Å; N403-G443 CarbonylContact C-O 3.44Å; N403-G443 VanDerWaalsContact CA-O 3.31Å; N403-G443 WeakPolarHBondContact CA-O 3.48Å; N403-G443 PolarHBondContact OD1-N 2.9Å
404	V	95.4	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.9	-168.1	63.4	0	0	0	0	111.7	N372 L376 G443 Y445 M452	N372-V404 HydrophobicContact CB-CB 4.48Å; L376-V404 HydrophobicContact CD1-CG2 4.03Å; L376-V404 HydrophobicContact CG-CG2 4.07Å; V404-G443 PolarHBondContact N-O 3.3Å; V404-G443 CarbonylContact O-C 3.54Å; V404-Y445 WeakPolarHBondContact O-CD2 3.49Å; V404-Y445 PolarHBondContact O-N 3.02Å; V404-Y445 VanDerWaalsContact O-N 3.08Å; V404-M452 HydrophobicContact CG1-CG 4.36Å
405	T	91.4	Very high	96	Very high	74 Å²	74	50.9 Å²	50.9	45%	0.454	27%	0.268	S	S	.	.			trans	-90.2	-13.3	173.6	52.4	0	0	0	0	113.4	V375 Y445	V375-T405 VanDerWaalsContact CG1-OG1 3.3Å; V375-T405 WeakPolarHBondContact CG1-OG1 3.23Å; T405-Y445 HydrophobicContact CG2-CD2 4.37Å
406	G	92.1	Very high	95.9	Very high	9 Å²	9	54 Å²	54	9%	0.093	28%	0.28	C	S	.	.			trans	140.7	-165.1	175.3	0	0	0	0	0	112.3	L376	L376-G406 PolarHBondContact N-O 3.47Å
407	F	94.3	Very high	95.8	Very high	43 Å²	43	53.5 Å²	53.5	19%	0.189	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-88.1	155.4	166.3	-77.5	-101.6	0	0	0	110	L376 A381 I418 A447	L376-F407 HydrophobicContact CB-CD1 3.7Å; L376-F407 HydrophobicContact CB-CD2 4.32Å; L376-F407 HydrophobicContact CB-CE1 3.79Å; L376-F407 HydrophobicContact CB-CE2 4.39Å; L376-F407 HydrophobicContact CB-CG 3.98Å; L376-F407 HydrophobicContact CB-CZ 4.14Å; L376-F407 HydrophobicContact CD1-CD2 4.22Å; L376-F407 HydrophobicContact CD1-CE1 4.2Å; L376-F407 HydrophobicContact CD1-CE2 3.7Å; L376-F407 HydrophobicContact CD1-CZ 3.68Å; L376-F407 CarbonylContact O-C 3.59Å; L376-F407 VanDerWaalsContact O-CA 3.32Å; L376-F407 WeakPolarHBondContact O-CA 3.4Å; A381-F407 HydrophobicContact CB-CE1 4.13Å; F407-I418 HydrophobicContact CB-CD1 4.2Å; F407-I418 HydrophobicContact CD1-CD1 4.18Å; F407-I418 HydrophobicContact CD1-CG1 4.07Å; F407-A447 HydrophobicContact CD2-CB 3.86Å; F407-A447 HydrophobicContact CE2-CB 4.12Å
408	M	95.2	Very high	95.7	Very high	57 Å²	57	53.7 Å²	53.7	28%	0.281	28%	0.282	S	S	.	.			trans	-61.3	143.2	172.5	-168	63	-143.1	0	0	110.8	V375 L376 F377 Y413 I418	V375-M408 HydrophobicContact CG2-SD 4.31Å; L376-M408 PolarHBondContact O-N 2.68Å; F377-M408 HydrophobicContact CD1-CB 3.78Å; F377-M408 HydrophobicContact CD1-CG 4.08Å; F377-M408 HydrophobicContact CE1-CB 3.69Å; F377-M408 HydrophobicContact CE1-CG 3.52Å; F377-M408 HydrophobicContact CE1-SD 4.15Å; F377-M408 HydrophobicContact CG-CB 4.49Å; F377-M408 HydrophobicContact CZ-CB 4.31Å; F377-M408 HydrophobicContact CZ-CG 4.16Å; F377-M408 HydrophobicContact CZ-SD 4.22Å; M408-Y413 HydrophobicContact CB-CD2 4.36Å; M408-Y413 HydrophobicContact CB-CE2 4.48Å; M408-Y413 HydrophobicContact CB-CG 4.43Å; M408-Y413 HydrophobicContact CE-CE2 3.97Å; M408-Y413 HydrophobicContact CG-CD1 4.27Å; M408-Y413 HydrophobicContact CG-CD2 3.54Å; M408-Y413 HydrophobicContact CG-CE1 4.08Å; M408-Y413 HydrophobicContact CG-CE2 3.31Å; M408-Y413 HydrophobicContact CG-CG 4.02Å; M408-Y413 HydrophobicContact SD-CE2 4.37Å; M408-I418 HydrophobicContact CB-CD1 4.05Å; M408-I418 WeakPolarHBondContact O-CD1 3.28Å
409	V	90.9	Very high	95.6	Very high	109 Å²	109	58.2 Å²	58.2	66%	0.661	31%	0.31	S	S	*	.			trans	-118.2	142.4	179.8	-63.7	0	0	0	0	111
410	G	92.7	Very high	95.6	Very high	34 Å²	34	61.6 Å²	61.6	35%	0.351	33%	0.325	S	S	.	.	S	Bend	trans	153.8	154.5	176.7	0	0	0	0	0	112.3	E412 Y413 E414	G410-E412 VanDerWaalsContact C-N 3.26Å; G410-E412 PolarHBondContact O-N 3.09Å; G410-Y413 PolarHBondContact O-N 3.49Å; G410-E414 WeakPolarHBondContact O-CG 3.29Å; G410-E414 PolarHBondContact O-N 3Å
411	R	94.9	Very high	95.6	Very high	229 Å²	229	62 Å²	62	86%	0.864	33%	0.326	S	S	*	.	H	α-helix	trans	-55.8	-41.4	-177.3	180	-178.2	175.2	-176.1	-1.2	112.5	A415	R411-A415 WeakPolarHBondContact O-CB 3.34Å; R411-A415 PolarHBondContact O-N 3.11Å
412	E	94.9	Very high	95.5	Very high	144 Å²	144	62.3 Å²	62.3	67%	0.673	33%	0.33	S	S	*	.	H	α-helix	trans	-64.6	-49.4	-179.3	-66.9	174.3	-177.7	0	0	110.9	G410 E414 A415 E416	G410-E412 VanDerWaalsContact C-N 3.26Å; G410-E412 PolarHBondContact O-N 3.09Å; E412-E414 VanDerWaalsContact C-N 3.33Å; E412-E414 PolarHBondContact O-N 3.46Å; E412-A415 PolarHBondContact O-N 3.05Å; E412-A415 VanDerWaalsContact O-N 3.14Å; E412-E416 WeakPolarHBondContact O-CG 3.5Å; E412-E416 PolarHBondContact O-N 3.08Å
413	Y	95.1	Very high	95.5	Very high	69 Å²	69	64.1 Å²	64.1	27%	0.271	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-38	178	-56.6	-65.9	0	0	0	113.2	F377 M408 G410 E416 G417 I418	F377-Y413 HydrophobicContact CD1-CD1 4.34Å; F377-Y413 AromaticContact CD1-CE1 3.88Å; F377-Y413 HydrophobicContact CD1-CE1 3.88Å; F377-Y413 AromaticContact CE1-CE1 3.78Å; F377-Y413 HydrophobicContact CE1-CE1 3.78Å; F377-Y413 AromaticContact CE1-CZ 3.94Å; M408-Y413 HydrophobicContact CB-CD2 4.36Å; M408-Y413 HydrophobicContact CB-CE2 4.48Å; M408-Y413 HydrophobicContact CB-CG 4.43Å; M408-Y413 HydrophobicContact CE-CE2 3.97Å; M408-Y413 HydrophobicContact CG-CD1 4.27Å; M408-Y413 HydrophobicContact CG-CD2 3.54Å; M408-Y413 HydrophobicContact CG-CE1 4.08Å; M408-Y413 HydrophobicContact CG-CE2 3.31Å; M408-Y413 HydrophobicContact CG-CG 4.02Å; M408-Y413 HydrophobicContact SD-CE2 4.37Å; G410-Y413 PolarHBondContact O-N 3.49Å; Y413-E416 PolarHBondContact O-N 3.02Å; Y413-G417 PolarHBondContact O-N 2.74Å; Y413-I418 WeakPolarHBondContact O-CB 3.41Å; Y413-I418 WeakPolarHBondContact O-CG2 3.48Å; Y413-I418 PolarHBondContact O-N 3.18Å
414	E	96.1	Very high	95.6	Very high	101 Å²	101	63.5 Å²	63.5	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-43.3	174.5	-68.5	-63.1	172.5	0	0	111.8	G410 E412 E416 G417 T419	G410-E414 WeakPolarHBondContact O-CG 3.29Å; G410-E414 PolarHBondContact O-N 3Å; E412-E414 VanDerWaalsContact C-N 3.33Å; E412-E414 PolarHBondContact O-N 3.46Å; E414-E416 VanDerWaalsContact C-N 3.3Å; E414-E416 PolarHBondContact O-N 3.32Å; E414-G417 PolarHBondContact O-N 2.73Å; E414-T419 PolarHBondContact OE2-OG1 2.78Å
415	A	95.1	Very high	95.7	Very high	88 Å²	88	63.5 Å²	63.5	73%	0.727	34%	0.341	S	S	*	.	H	α-helix	trans	-64.9	-34	177.3	0	0	0	0	0	112.4	R411 E412 G417	R411-A415 WeakPolarHBondContact O-CB 3.34Å; R411-A415 PolarHBondContact O-N 3.11Å; E412-A415 PolarHBondContact O-N 3.05Å; E412-A415 VanDerWaalsContact O-N 3.14Å; A415-G417 PolarHBondContact O-N 2.77Å
416	E	95.3	Very high	96	Very high	125 Å²	125	61.7 Å²	61.7	58%	0.584	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.4	173.9	-70.5	-179.7	173.9	0	0	113.4	E412 Y413 E414	E412-E416 WeakPolarHBondContact O-CG 3.5Å; E412-E416 PolarHBondContact O-N 3.08Å; Y413-E416 PolarHBondContact O-N 3.02Å; E414-E416 VanDerWaalsContact C-N 3.3Å; E414-E416 PolarHBondContact O-N 3.32Å
417	G	96.8	Very high	96.3	Very high	13 Å²	13	63 Å²	63	13%	0.134	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	33.1	172.4	0	0	0	0	0	114.6	Y413 E414 A415 T419 K420 D421	Y413-G417 PolarHBondContact O-N 2.74Å; E414-G417 PolarHBondContact O-N 2.73Å; A415-G417 PolarHBondContact O-N 2.77Å; G417-T419 PolarHBondContact O-N 2.85Å; G417-T419 VanDerWaalsContact O-N 3.09Å; G417-K420 WeakPolarHBondContact O-CG 3.48Å; G417-K420 PolarHBondContact O-N 3.21Å; G417-D421 PolarHBondContact O-N 2.69Å
418	I	97.4	Very high	96.6	Very high	5 Å²	5	61 Å²	61	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-51.5	-35.6	175.4	-164.1	170.6	0	0	0	112.7	S378 F407 M408 Y413 D421 G422	S378-I418 WeakPolarHBondContact OG-CA 3.45Å; F407-I418 HydrophobicContact CB-CD1 4.2Å; F407-I418 HydrophobicContact CD1-CD1 4.18Å; F407-I418 HydrophobicContact CD1-CG1 4.07Å; M408-I418 HydrophobicContact CB-CD1 4.05Å; M408-I418 WeakPolarHBondContact O-CD1 3.28Å; Y413-I418 WeakPolarHBondContact O-CB 3.41Å; Y413-I418 WeakPolarHBondContact O-CG2 3.48Å; Y413-I418 PolarHBondContact O-N 3.18Å; I418-D421 PolarHBondContact O-N 2.71Å; I418-G422 PolarHBondContact O-N 3.47Å
419	T	97.5	Very high	96.7	Very high	94 Å²	94	58.2 Å²	58.2	58%	0.577	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-45	175.5	-67.8	0	0	0	0	112.4	E414 G417 A423	E414-T419 PolarHBondContact OE2-OG1 2.78Å; G417-T419 PolarHBondContact O-N 2.85Å; G417-T419 VanDerWaalsContact O-N 3.09Å; T419-A423 WeakPolarHBondContact O-CB 3.28Å; T419-A423 PolarHBondContact O-N 3.34Å
420	K	98.1	Very high	97.1	Very high	72 Å²	72	55.5 Å²	55.5	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-73.1	-30.7	178.5	65.5	164	-174.2	168.5	0	112.1	G417 A423 K424 R562 M563	G417-K420 WeakPolarHBondContact O-CG 3.48Å; G417-K420 PolarHBondContact O-N 3.21Å; K420-A423 PolarHBondContact O-N 2.89Å; K420-K424 WeakPolarHBondContact O-CG 3.31Å; K420-K424 PolarHBondContact O-N 3.49Å; K420-K424 VanDerWaalsContact O-N 3.15Å; K420-R562 HydrophobicContact CB-CG 3.94Å; K420-M563 WeakPolarHBondContact CE-OXT 3.48Å; K420-M563 VanDerWaalsContact NZ-C 3.27Å; K420-M563 PolarHBondContact NZ-O 2.89Å; K420-M563 PolarHBondContact NZ-OXT 3.27Å
421	D	98.3	Very high	97.4	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-73.6	-41.4	177.2	-76.7	-8.3	0	0	0	111.4	S378 A381 K382 G417 I418 A423 K424 M425	S378-D421 WeakPolarHBondContact CB-OD2 3.45Å; A381-D421 HydrophobicContact CB-CB 4.35Å; A381-D421 WeakPolarHBondContact CB-O 3.32Å; K382-D421 VanDerWaalsContact CD-OD2 3.28Å; K382-D421 WeakPolarHBondContact CD-OD2 3.34Å; K382-D421 WeakPolarHBondContact CE-OD2 3.47Å; K382-D421 HydrophobicContact CG-CB 4.29Å; K382-D421 IonicContact NZ-OD2 3.61Å; K382-D421 PolarHBondContact NZ-OD2 2.96Å; G417-D421 PolarHBondContact O-N 2.69Å; I418-D421 PolarHBondContact O-N 2.71Å; D421-A423 VanDerWaalsContact C-N 3.32Å; D421-A423 PolarHBondContact O-N 2.79Å; D421-K424 WeakPolarHBondContact O-CB 3.4Å; D421-K424 PolarHBondContact O-N 3.42Å; D421-K424 IonicContact OD1-NZ 2.74Å; D421-K424 PolarHBondContact OD1-NZ 3.1Å; D421-M425 PolarHBondContact O-N 3.47Å
422	G	97.9	Very high	97.5	Very high	7 Å²	7	44.3 Å²	44.3	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-41.4	168.4	0	0	0	0	0	112.4	I418 K424 M425 V426	I418-G422 PolarHBondContact O-N 3.47Å; G422-K424 VanDerWaalsContact C-N 3.3Å; G422-K424 PolarHBondContact O-N 3.42Å; G422-M425 PolarHBondContact O-N 3.02Å; G422-M425 VanDerWaalsContact O-N 3.12Å; G422-V426 WeakPolarHBondContact O-CG2 3.24Å; G422-V426 PolarHBondContact O-N 3.04Å
423	A	98.5	Very high	97.7	Very high	39 Å²	39	41 Å²	41	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-38.5	175.7	0	0	0	0	0	112.6	T419 K420 D421 M425 V426 T427	T419-A423 WeakPolarHBondContact O-CB 3.28Å; T419-A423 PolarHBondContact O-N 3.34Å; K420-A423 PolarHBondContact O-N 2.89Å; D421-A423 VanDerWaalsContact C-N 3.32Å; D421-A423 PolarHBondContact O-N 2.79Å; A423-M425 VanDerWaalsContact C-N 3.33Å; A423-M425 PolarHBondContact O-N 2.96Å; A423-V426 PolarHBondContact O-N 3.49Å; A423-T427 WeakPolarHBondContact O-CB 3.46Å; A423-T427 PolarHBondContact O-N 3.32Å; A423-T427 PolarHBondContact O-OG1 2.83Å; A423-T427 VanDerWaalsContact O-OG1 3.04Å
424	K	98.7	Very high	97.9	Very high	15 Å²	15	37.8 Å²	37.8	7%	0.065	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-45.8	174.1	-65.8	172.3	-180	79.2	0	111.4	T385 K420 D421 G422 T427 A428 F561 R562 M563	T385-K424 HydrophobicContact CG2-CB 3.94Å; T385-K424 VanDerWaalsContact OG1-C 3.29Å; T385-K424 WeakPolarHBondContact OG1-CB 3.34Å; K420-K424 WeakPolarHBondContact O-CG 3.31Å; K420-K424 PolarHBondContact O-N 3.49Å; K420-K424 VanDerWaalsContact O-N 3.15Å; D421-K424 WeakPolarHBondContact O-CB 3.4Å; D421-K424 PolarHBondContact O-N 3.42Å; D421-K424 IonicContact OD1-NZ 2.74Å; D421-K424 PolarHBondContact OD1-NZ 3.1Å; G422-K424 VanDerWaalsContact C-N 3.3Å; G422-K424 PolarHBondContact O-N 3.42Å; K424-T427 PolarHBondContact O-N 3.35Å; K424-A428 PolarHBondContact O-N 3.22Å; K424-F561 HydrophobicContact CB-CD1 3.96Å; K424-F561 HydrophobicContact CB-CE1 4.48Å; K424-F561 HydrophobicContact CG-CD1 4.16Å; K424-F561 WeakPolarHBondContact O-CE1 3.49Å; K424-R562 WeakPolarHBondContact CE-O 3.48Å; K424-R562 PolarHBondContact NZ-O 2.74Å; K424-M563 PolarHBondContact NZ-OXT 2.99Å
425	M	98.4	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-46.4	-179.3	-176.6	170.5	-179.8	0	0	111.2	L355 A381 T385 D421 G422 A423 T427 A428 V429 G451 M452	L355-M425 HydrophobicContact CD2-CE 3.88Å; L355-M425 HydrophobicContact CD2-SD 4.45Å; A381-M425 HydrophobicContact CB-CB 4.19Å; A381-M425 HydrophobicContact CB-SD 4.31Å; T385-M425 WeakPolarHBondContact OG1-CA 3.35Å; T385-M425 PolarHBondContact OG1-N 2.95Å; D421-M425 PolarHBondContact O-N 3.47Å; G422-M425 PolarHBondContact O-N 3.02Å; G422-M425 VanDerWaalsContact O-N 3.12Å; A423-M425 VanDerWaalsContact C-N 3.33Å; A423-M425 PolarHBondContact O-N 2.96Å; M425-T427 PolarHBondContact O-N 3.34Å; M425-A428 WeakPolarHBondContact O-CB 3.49Å; M425-A428 PolarHBondContact O-N 3.3Å; M425-A428 VanDerWaalsContact O-N 3.14Å; M425-V429 WeakPolarHBondContact O-CG2 3.37Å; M425-V429 PolarHBondContact O-N 3.31Å; M425-G451 WeakPolarHBondContact CE-O 3.37Å; M425-M452 HydrophobicContact CE-SD 3.66Å
426	V	98.3	Very high	98.1	Very high	35 Å²	35	29.6 Å²	29.6	21%	0.212	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-41.9	178.2	172.8	0	0	0	0	111.6	G422 A423 A428 V429 A430 Y457	G422-V426 WeakPolarHBondContact O-CG2 3.24Å; G422-V426 PolarHBondContact O-N 3.04Å; A423-V426 PolarHBondContact O-N 3.49Å; V426-A428 VanDerWaalsContact C-N 3.35Å; V426-A428 PolarHBondContact O-N 3.2Å; V426-V429 PolarHBondContact O-N 2.9Å; V426-A430 WeakPolarHBondContact O-CB 3.41Å; V426-A430 PolarHBondContact O-N 3.02Å; V426-Y457 HydrophobicContact CG1-CE1 3.59Å; V426-Y457 WeakPolarHBondContact CG1-OH 3.46Å
427	T	98.8	Very high	98.3	Very high	37 Å²	37	23.7 Å²	23.7	23%	0.227	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-44.1	172.8	-64	0	0	0	0	111.5	A423 K424 M425 A430 C431 F561	A423-T427 WeakPolarHBondContact O-CB 3.46Å; A423-T427 PolarHBondContact O-N 3.32Å; A423-T427 PolarHBondContact O-OG1 2.83Å; A423-T427 VanDerWaalsContact O-OG1 3.04Å; K424-T427 PolarHBondContact O-N 3.35Å; M425-T427 PolarHBondContact O-N 3.34Å; T427-A430 PolarHBondContact O-N 3.35Å; T427-C431 WeakPolarHBondContact O-CB 3.45Å; T427-C431 PolarHBondContact O-N 3.45Å; T427-C431 PolarHBondContact O-SG 3.18Å; T427-C431 VanDerWaalsContact O-SG 3.38Å; T427-F561 HydrophobicContact CG2-CD1 4.24Å; T427-F561 HydrophobicContact CG2-CE1 3.97Å; T427-F561 HydrophobicContact CG2-CZ 4.36Å
428	A	98.8	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-45.2	178.4	0	0	0	0	0	111.9	T385 I388 K424 M425 V426 A432 F558 F561	T385-A428 HydrophobicContact CG2-CB 4.16Å; I388-A428 HydrophobicContact CB-CB 4.09Å; I388-A428 HydrophobicContact CD1-CB 4.06Å; I388-A428 HydrophobicContact CG2-CB 3.85Å; K424-A428 PolarHBondContact O-N 3.22Å; M425-A428 WeakPolarHBondContact O-CB 3.49Å; M425-A428 PolarHBondContact O-N 3.3Å; M425-A428 VanDerWaalsContact O-N 3.14Å; V426-A428 VanDerWaalsContact C-N 3.35Å; V426-A428 PolarHBondContact O-N 3.2Å; A428-A432 VanDerWaalsContact O-CB 3.29Å; A428-A432 WeakPolarHBondContact O-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.4Å; A428-A432 VanDerWaalsContact O-N 3.07Å; A428-F558 HydrophobicContact CB-CE1 4.11Å; A428-F561 HydrophobicContact CB-CE1 4.18Å; A428-F561 HydrophobicContact CB-CZ 4.32Å
429	V	98.6	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-44.2	177.7	172.8	0	0	0	0	112	I388 F400 M425 V426 K436 G451 C453 Y457	I388-V429 HydrophobicContact CD1-CG2 3.49Å; I388-V429 VanDerWaalsContact CD1-CG2 3.49Å; F400-V429 HydrophobicContact CE1-CG2 4.02Å; F400-V429 HydrophobicContact CZ-CG2 4.04Å; M425-V429 WeakPolarHBondContact O-CG2 3.37Å; M425-V429 PolarHBondContact O-N 3.31Å; V426-V429 PolarHBondContact O-N 2.9Å; V429-K436 PolarHBondContact O-NZ 2.84Å; V429-G451 WeakPolarHBondContact CG2-O 3.26Å; V429-C453 HydrophobicContact CG1-CB 3.6Å; V429-Y457 HydrophobicContact CB-CD1 4.39Å; V429-Y457 HydrophobicContact CG1-CD1 3.79Å; V429-Y457 HydrophobicContact CG1-CG 3.95Å
430	A	98.6	Very high	98.6	Very high	51 Å²	51	18.3 Å²	18.3	42%	0.421	11%	0.11	S	C	.	.	H	α-helix	trans	-64.5	-44.6	-178.6	0	0	0	0	0	112	V426 T427 Y457	V426-A430 WeakPolarHBondContact O-CB 3.41Å; V426-A430 PolarHBondContact O-N 3.02Å; T427-A430 PolarHBondContact O-N 3.35Å; A430-Y457 HydrophobicContact CB-CD1 4.03Å; A430-Y457 HydrophobicContact CB-CE1 4.1Å
431	C	98.6	Very high	98.6	Very high	27 Å²	27	14.9 Å²	14.9	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-80.2	-23.9	-175.9	-64.5	0	0	0	0	113.9	T427 Q433 T556 F558 G559	T427-C431 WeakPolarHBondContact O-CB 3.45Å; T427-C431 PolarHBondContact O-N 3.45Å; T427-C431 PolarHBondContact O-SG 3.18Å; T427-C431 VanDerWaalsContact O-SG 3.38Å; C431-Q433 PolarHBondContact O-N 2.7Å; C431-Q433 PolarHBondContact O-NE2 3.14Å; C431-Q433 VanDerWaalsContact O-NE2 3.09Å; C431-T556 WeakPolarHBondContact O-CG2 3.49Å; C431-F558 HydrophobicContact CB-CD1 3.69Å; C431-F558 HydrophobicContact CB-CE1 4.3Å; C431-F558 HydrophobicContact CB-CG 4.43Å; C431-G559 PolarHBondContact SG-N 3.28Å
432	A	98.6	Very high	98.6	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.017	9%	0.093	C	C	.	.			trans	-56.8	120.4	-177.7	0	0	0	0	0	112.3	I388 C392 L398 A428 V434 K436	I388-A432 HydrophobicContact CG2-CB 4.01Å; C392-A432 WeakPolarHBondContact SG-CB 3.24Å; L398-A432 HydrophobicContact CD1-CB 4.48Å; A428-A432 VanDerWaalsContact O-CB 3.29Å; A428-A432 WeakPolarHBondContact O-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.4Å; A428-A432 VanDerWaalsContact O-N 3.07Å; A432-V434 HydrophobicContact CB-CG2 4.49Å; A432-K436 HydrophobicContact CB-CD 4.14Å; A432-K436 PolarHBondContact O-NZ 2.81Å
433	Q	98.1	Very high	98.5	Very high	74 Å²	74	14.3 Å²	14.3	35%	0.346	9%	0.09	S	C	.	.			trans	-97.1	-11.6	-178.9	-63	-54.2	-37.3	0	0	113.9	C431 E554 T556	C431-Q433 PolarHBondContact O-N 2.7Å; C431-Q433 PolarHBondContact O-NE2 3.14Å; C431-Q433 VanDerWaalsContact O-NE2 3.09Å; Q433-E554 HydrophobicContact CB-CB 4.03Å; Q433-E554 WeakPolarHBondContact CB-O 3.48Å; Q433-E554 HydrophobicContact CG-CB 4.43Å; Q433-T556 PolarHBondContact N-OG1 2.99Å
434	V	98.4	Very high	98.5	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.012	8%	0.075	C	C	.	.	S	Bend	trans	-59.1	150.7	167.9	-63.8	0	0	0	0	110.2	I396 L398 A432 K436 I553	I396-V434 WeakPolarHBondContact O-CG2 3.11Å; L398-V434 HydrophobicContact CD1-CG2 3.77Å; L398-V434 HydrophobicContact CG-CG2 3.98Å; A432-V434 HydrophobicContact CB-CG2 4.49Å; V434-K436 PolarHBondContact O-N 2.82Å; V434-I553 HydrophobicContact CG1-CG2 3.88Å
435	P	98.5	Very high	98.4	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.013	8%	0.078	C	C	.	.			trans	-55.5	127.7	175.3	-26	34.9	0	0	0	111.2	P397 L398 R460 A548 I553	P397-P435 CarbonylContact C-O 3.52Å; P397-P435 WeakPolarHBondContact CA-O 3.32Å; P397-P435 HydrophobicContact CB-CB 4.21Å; P397-P435 HydrophobicContact CG-CG 4.34Å; L398-P435 PolarHBondContact N-O 3.5Å; P435-R460 HydrophobicContact CB-CG 4.21Å; P435-A548 HydrophobicContact CB-CB 3.89Å; P435-A548 HydrophobicContact CG-CB 4.28Å; P435-I553 HydrophobicContact CG-CG1 4.47Å
436	K	98.8	Very high	98.3	Very high	15 Å²	15	14.1 Å²	14.1	7%	0.065	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	176.5	-63	172.7	-59.3	-147.7	0	108.7	L398 F400 V429 A432 V434 Y457 P459 R460	L398-K436 HydrophobicContact CB-CG 4.33Å; L398-K436 HydrophobicContact CD1-CG 4.42Å; L398-K436 WeakPolarHBondContact O-CA 3.27Å; F400-K436 HydrophobicContact CE2-CB 4.27Å; F400-K436 HydrophobicContact CE2-CD 4.45Å; F400-K436 HydrophobicContact CE2-CG 4.19Å; V429-K436 PolarHBondContact O-NZ 2.84Å; A432-K436 HydrophobicContact CB-CD 4.14Å; A432-K436 PolarHBondContact O-NZ 2.81Å; V434-K436 PolarHBondContact O-N 2.82Å; K436-Y457 PolarHBondContact NZ-O 2.79Å; K436-P459 HydrophobicContact CB-CB 4.42Å; K436-P459 CarbonylContact O-C 3.58Å; K436-P459 WeakPolarHBondContact O-CA 3.44Å; K436-R460 PolarHBondContact O-N 3.31Å
437	I	98.9	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.5	171.5	-61.1	179	0	0	0	108.1	L398 L399 F400 F461 L541 S544 F545	L398-I437 PolarHBondContact O-N 3.46Å; L399-I437 CarbonylContact C-O 3.55Å; L399-I437 WeakPolarHBondContact CA-O 3.37Å; L399-I437 HydrophobicContact CD1-CB 4.36Å; L399-I437 HydrophobicContact CD1-CG2 4.19Å; F400-I437 PolarHBondContact N-O 2.99Å; I437-F461 WeakPolarHBondContact CA-O 3.47Å; I437-F461 HydrophobicContact CD1-CD2 4.32Å; I437-F461 HydrophobicContact CG1-CD2 4.31Å; I437-F461 HydrophobicContact CG2-CB 4.31Å; I437-L541 HydrophobicContact CG2-CD2 3.62Å; I437-S544 VanDerWaalsContact CD1-CB 3.46Å; I437-F545 HydrophobicContact CB-CZ 4.38Å; I437-F545 HydrophobicContact CD1-CD1 3.6Å; I437-F545 HydrophobicContact CD1-CD2 4.08Å; I437-F545 HydrophobicContact CD1-CE1 3.55Å; I437-F545 HydrophobicContact CD1-CE2 4.02Å; I437-F545 HydrophobicContact CD1-CG 3.85Å; I437-F545 HydrophobicContact CD1-CZ 3.77Å; I437-F545 HydrophobicContact CG1-CD1 4.47Å; I437-F545 HydrophobicContact CG1-CE1 4.07Å; I437-F545 HydrophobicContact CG1-CZ 4.33Å
438	T	98.9	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135	180	-61.4	0	0	0	0	109.8	F400 Q402 C453 F461 L462 Y463	F400-T438 HydrophobicContact CB-CG2 4.36Å; Q402-T438 HydrophobicContact CG-CG2 3.77Å; T438-C453 PolarHBondContact OG1-O 2.69Å; T438-F461 PolarHBondContact N-O 2.93Å; T438-L462 HydrophobicContact CG2-CD1 3.98Å; T438-L462 HydrophobicContact CG2-CG 3.97Å; T438-L462 CarbonylContact O-C 3.48Å; T438-L462 VanDerWaalsContact O-CA 3.29Å; T438-L462 WeakPolarHBondContact O-CA 3.4Å; T438-Y463 PolarHBondContact O-N 3.25Å
439	L	98.9	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.2	171.4	178.7	66.2	0	0	0	109.1	F400 L401 Q402 I441 Y463 W465 I532 T537	F400-L439 PolarHBondContact O-N 2.93Å; L401-L439 CarbonylContact C-O 3.57Å; L401-L439 WeakPolarHBondContact CA-O 3.47Å; L401-L439 HydrophobicContact CD2-CB 4.07Å; L401-L439 HydrophobicContact CD2-CD2 4Å; Q402-L439 PolarHBondContact N-O 3.44Å; L439-I441 HydrophobicContact CD2-CG2 3.57Å; L439-I441 HydrophobicContact CG-CG2 3.59Å; L439-I441 PolarHBondContact O-N 2.79Å; L439-Y463 WeakPolarHBondContact CA-O 3.48Å; L439-W465 HydrophobicContact CD2-CZ2 4.3Å; L439-I532 HydrophobicContact CD1-CD1 3.69Å; L439-I532 HydrophobicContact CD1-CG1 4.18Å; L439-T537 HydrophobicContact CD2-CG2 3.37Å
440	I	98.9	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.8	174.8	-51.6	175.1	0	0	0	108.4	Q402 L462 Y463 I464 W465 A468 I470	Q402-I440 HydrophobicContact CB-CB 4.45Å; Q402-I440 HydrophobicContact CB-CG1 4.23Å; Q402-I440 HydrophobicContact CB-CG2 4.36Å; Q402-I440 HydrophobicContact CG-CG1 4.33Å; I440-L462 HydrophobicContact CD1-CD2 3.99Å; I440-L462 HydrophobicContact CG1-CD2 4.43Å; I440-Y463 PolarHBondContact N-O 2.86Å; I440-I464 HydrophobicContact CB-CB 4.32Å; I440-I464 HydrophobicContact CB-CD1 4.41Å; I440-I464 HydrophobicContact CB-CG1 4.01Å; I440-I464 HydrophobicContact CD1-CD1 4.24Å; I440-I464 HydrophobicContact CG2-CD1 4.44Å; I440-I464 HydrophobicContact CG2-CG1 4.35Å; I440-W465 PolarHBondContact O-N 3.48Å; I440-A468 HydrophobicContact CB-CB 4.47Å; I440-A468 HydrophobicContact CG2-CB 3.78Å; I440-I470 HydrophobicContact CD1-CD1 4.14Å
441	I	98.6	Very high	97.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-8.5	-176.7	62.5	170.8	0	0	0	113.1	F329 V331 V334 L401 Q402 N403 L439 W465 N467	F329-I441 HydrophobicContact CE2-CD1 4.03Å; F329-I441 HydrophobicContact CZ-CD1 3.93Å; F329-I441 HydrophobicContact CZ-CG1 4.37Å; V331-I441 HydrophobicContact CG2-CD1 4.12Å; V334-I441 HydrophobicContact CG1-CD1 4.48Å; V334-I441 HydrophobicContact CG2-CD1 4.28Å; L401-I441 HydrophobicContact CB-CD1 4.13Å; Q402-I441 WeakPolarHBondContact O-CG1 3.45Å; Q402-I441 PolarHBondContact O-N 2.91Å; N403-I441 HydrophobicContact CB-CG1 4.13Å; L439-I441 HydrophobicContact CD2-CG2 3.57Å; L439-I441 HydrophobicContact CG-CG2 3.59Å; L439-I441 PolarHBondContact O-N 2.79Å; I441-W465 HydrophobicContact CB-CD2 3.95Å; I441-W465 HydrophobicContact CB-CE3 3.65Å; I441-W465 HydrophobicContact CB-CH2 4.18Å; I441-W465 HydrophobicContact CB-CZ2 4.45Å; I441-W465 HydrophobicContact CB-CZ3 3.8Å; I441-W465 HydrophobicContact CG2-CD2 3.78Å; I441-W465 HydrophobicContact CG2-CE3 3.94Å; I441-W465 HydrophobicContact CG2-CG 4.46Å; I441-W465 HydrophobicContact CG2-CH2 3.93Å; I441-W465 HydrophobicContact CG2-CZ2 3.77Å; I441-W465 HydrophobicContact CG2-CZ3 4.03Å; I441-N467 PolarHBondContact O-ND2 2.95Å; I441-N467 VanDerWaalsContact O-ND2 3.15Å
442	G	97.9	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-122.1	-179.6	0	0	0	0	0	111.9	Q402 A468 R469	Q402-G442 PolarHBondContact O-N 2.95Å; G442-A468 CarbonylContact O-C 3.26Å; G442-A468 WeakPolarHBondContact O-CA 3.18Å; G442-A468 WeakPolarHBondContact O-CB 3.23Å; G442-R469 PolarHBondContact O-N 3.38Å
443	G	96.9	Very high	97.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.7	176.6	0	0	0	0	0	113.5	N403 V404	N403-G443 CarbonylContact C-O 3.44Å; N403-G443 VanDerWaalsContact CA-O 3.31Å; N403-G443 WeakPolarHBondContact CA-O 3.48Å; N403-G443 PolarHBondContact OD1-N 2.9Å; V404-G443 PolarHBondContact N-O 3.3Å; V404-G443 CarbonylContact O-C 3.54Å
444	S	97.9	Very high	98	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	86.5	167.2	-172.3	0	0	0	0	109.3	Q402 N449 R469 I470 S471	Q402-S444 PolarHBondContact OE1-OG 2.82Å; S444-N449 PolarHBondContact OG-ND2 3.49Å; S444-R469 PolarHBondContact N-O 3.06Å; S444-I470 WeakPolarHBondContact O-CA 3.48Å; S444-S471 PolarHBondContact O-N 3.26Å
445	Y	96.9	Very high	98	Very high	33 Å²	33	14.5 Å²	14.5	13%	0.129	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.6	-170.5	-58.8	-68.4	0	0	0	113.4	V404 T405 G448 R469 S471	V404-Y445 WeakPolarHBondContact O-CD2 3.49Å; V404-Y445 PolarHBondContact O-N 3.02Å; V404-Y445 VanDerWaalsContact O-N 3.08Å; T405-Y445 HydrophobicContact CG2-CD2 4.37Å; Y445-G448 PolarHBondContact O-N 3.24Å; Y445-G448 VanDerWaalsContact O-N 3.16Å; Y445-R469 HydrophobicContact CE1-CB 4.36Å; Y445-R469 VanDerWaalsContact OH-CB 3.25Å; Y445-R469 WeakPolarHBondContact OH-CB 3.38Å; Y445-S471 WeakPolarHBondContact CA-O 3.37Å; Y445-S471 WeakPolarHBondContact CD1-OG 3.33Å; Y445-S471 WeakPolarHBondContact CE1-OG 3.44Å
446	G	95.6	Very high	98	Very high	17 Å²	17	18.3 Å²	18.3	18%	0.175	11%	0.105	C	C	.	.	H	α-helix	trans	51.7	-137.4	168.3	0	0	0	0	0	114.4	G448 N449 S471 V472	G446-G448 PolarHBondContact O-N 2.86Å; G446-G448 VanDerWaalsContact O-N 3.16Å; G446-N449 WeakPolarHBondContact O-CB 3.37Å; G446-N449 PolarHBondContact O-N 3.4Å; G446-N449 VanDerWaalsContact O-N 3.14Å; G446-S471 PolarHBondContact N-O 3.14Å; G446-V472 WeakPolarHBondContact CA-O 3.47Å; G446-V472 PolarHBondContact N-O 3.13Å; G446-V472 VanDerWaalsContact N-O 3.1Å
447	A	95.3	Very high	97.9	Very high	48 Å²	48	19.8 Å²	19.8	40%	0.397	11%	0.111	S	C	.	.	H	α-helix	trans	-64.2	-18.9	-178.8	0	0	0	0	0	114	F407 N449 Y450 G451	F407-A447 HydrophobicContact CD2-CB 3.86Å; F407-A447 HydrophobicContact CE2-CB 4.12Å; A447-N449 VanDerWaalsContact C-N 3.33Å; A447-Y450 HydrophobicContact CB-CD2 4.25Å; A447-Y450 WeakPolarHBondContact O-CB 3.29Å; A447-Y450 PolarHBondContact O-N 2.8Å; A447-G451 PolarHBondContact O-N 2.97Å; A447-G451 VanDerWaalsContact O-N 3.16Å
448	G	96.6	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-39.9	173.4	0	0	0	0	0	112.3	Y445 G446 Y450 G451 M452	Y445-G448 PolarHBondContact O-N 3.24Å; Y445-G448 VanDerWaalsContact O-N 3.16Å; G446-G448 PolarHBondContact O-N 2.86Å; G446-G448 VanDerWaalsContact O-N 3.16Å; G448-Y450 PolarHBondContact O-N 2.91Å; G448-G451 PolarHBondContact O-N 3.35Å; G448-M452 WeakPolarHBondContact O-CB 3.29Å; G448-M452 WeakPolarHBondContact O-CG 3.33Å; G448-M452 PolarHBondContact O-N 3.47Å
449	N	98.4	Very high	97.9	Very high	22 Å²	22	22.7 Å²	22.7	12%	0.118	13%	0.131	C	C	.	.	H	α-helix	trans	-54.7	-40.3	174	176.5	-87.3	0	0	0	111.2	S444 G446 A447 G454	S444-N449 PolarHBondContact OG-ND2 3.49Å; G446-N449 WeakPolarHBondContact O-CB 3.37Å; G446-N449 PolarHBondContact O-N 3.4Å; G446-N449 VanDerWaalsContact O-N 3.14Å; A447-N449 VanDerWaalsContact C-N 3.33Å; N449-G454 WeakPolarHBondContact O-CA 3.44Å; N449-G454 PolarHBondContact O-N 2.83Å
450	Y	98.2	Very high	97.9	Very high	108 Å²	108	24.2 Å²	24.2	42%	0.424	14%	0.137	S	C	.	.	H	α-helix	trans	-70.1	-51	-177.7	-51.8	-21.9	0	0	0	111.9	A447 G448 M452 C453 Y457	A447-Y450 HydrophobicContact CB-CD2 4.25Å; A447-Y450 WeakPolarHBondContact O-CB 3.29Å; A447-Y450 PolarHBondContact O-N 2.8Å; G448-Y450 PolarHBondContact O-N 2.91Å; Y450-M452 PolarHBondContact O-N 2.9Å; Y450-C453 PolarHBondContact O-N 3.46Å; Y450-Y457 VanDerWaalsContact CA-CE2 3.41Å; Y450-Y457 HydrophobicContact CD1-CE2 4.1Å; Y450-Y457 HydrophobicContact CG-CE2 4.08Å
451	G	97.5	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-25.4	178.4	0	0	0	0	0	113.2	M425 V429 A447 G448	M425-G451 WeakPolarHBondContact CE-O 3.37Å; V429-G451 WeakPolarHBondContact CG2-O 3.26Å; A447-G451 PolarHBondContact O-N 2.97Å; A447-G451 VanDerWaalsContact O-N 3.16Å; G448-G451 PolarHBondContact O-N 3.35Å
452	M	98.6	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	23.1	-178.3	-62.8	-61.5	-63.1	0	0	114	L355 I370 N372 F400 Q402 V404 M425 G448 Y450	L355-M452 HydrophobicContact CD1-CE 4.11Å; L355-M452 HydrophobicContact CD1-SD 3.72Å; I370-M452 HydrophobicContact CB-CE 4.45Å; I370-M452 HydrophobicContact CG2-CE 3.86Å; I370-M452 HydrophobicContact CG2-SD 4.12Å; I370-M452 WeakPolarHBondContact O-CE 3.19Å; N372-M452 PolarHBondContact ND2-SD 2.88Å; N372-M452 VanDerWaalsContact ND2-SD 3.44Å; N372-M452 WeakPolarHBondContact OD1-CE 3.45Å; F400-M452 HydrophobicContact CB-CE 4.46Å; F400-M452 VanDerWaalsContact CB-O 3.28Å; F400-M452 WeakPolarHBondContact CB-O 3.5Å; F400-M452 HydrophobicContact CD1-CB 4.48Å; F400-M452 HydrophobicContact CD1-CE 4.1Å; F400-M452 WeakPolarHBondContact CD1-O 3.33Å; F400-M452 HydrophobicContact CD1-SD 4.49Å; F400-M452 WeakPolarHBondContact CG-O 3.41Å; Q402-M452 HydrophobicContact CG-CB 3.8Å; Q402-M452 VanDerWaalsContact NE2-C 3.3Å; Q402-M452 PolarHBondContact NE2-O 3.35Å; V404-M452 HydrophobicContact CG1-CG 4.36Å; M425-M452 HydrophobicContact CE-SD 3.66Å; G448-M452 WeakPolarHBondContact O-CB 3.29Å; G448-M452 WeakPolarHBondContact O-CG 3.33Å; G448-M452 PolarHBondContact O-N 3.47Å; Y450-M452 PolarHBondContact O-N 2.9Å
453	C	98.8	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	49.2	177.5	-158	0	0	0	0	114.2	F400 V429 T438 Y450	F400-C453 HydrophobicContact CD1-CB 3.98Å; F400-C453 HydrophobicContact CD2-CB 3.53Å; F400-C453 HydrophobicContact CE1-CB 3.99Å; F400-C453 HydrophobicContact CE2-CB 3.56Å; F400-C453 HydrophobicContact CG-CB 3.75Å; F400-C453 HydrophobicContact CZ-CB 3.8Å; V429-C453 HydrophobicContact CG1-CB 3.6Å; T438-C453 PolarHBondContact OG1-O 2.69Å; Y450-C453 PolarHBondContact O-N 3.46Å
454	G	98.5	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.			trans	-62.1	178.5	169.3	0	0	0	0	0	113.1	N449 A456 Y457	N449-G454 WeakPolarHBondContact O-CA 3.44Å; N449-G454 PolarHBondContact O-N 2.83Å; G454-A456 PolarHBondContact O-N 3.21Å; G454-Y457 PolarHBondContact O-N 3.07Å
455	R	98.4	Very high	98.1	Very high	58 Å²	58	24.5 Å²	24.5	22%	0.219	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-50.6	-37.3	-169.4	-170.4	54.9	158.4	-164.4	-10.8	114.7	R155 Y457 S458 L462 V526 W527 D529	R155-R455 VanDerWaalsContact CD-NH2 3.27Å; R155-R455 VanDerWaalsContact NE-NH1 3.11Å; R155-R455 VanDerWaalsContact NE-NH2 3.2Å; R155-R455 VanDerWaalsContact NH2-NH1 3.19Å; R455-Y457 PolarHBondContact O-N 3.09Å; R455-S458 PolarHBondContact O-N 2.99Å; R455-L462 HydrophobicContact CB-CD1 4.23Å; R455-V526 PolarHBondContact NH2-O 2.86Å; R455-V526 VanDerWaalsContact NH2-O 3.1Å; R455-W527 WeakPolarHBondContact CD-O 3.24Å; R455-W527 VanDerWaalsContact CG-O 3.31Å; R455-W527 WeakPolarHBondContact CG-O 3.38Å; R455-W527 PolarHBondContact NE-O 3.47Å; R455-D529 IonicContact CZ-OD1 2.8Å; R455-D529 VanDerWaalsContact NH1-CG 3.28Å; R455-D529 IonicContact NH1-OD1 2.79Å; R455-D529 PolarHBondContact NH1-OD1 3.34Å; R455-D529 IonicContact NH1-OD2 3.58Å; R455-D529 PolarHBondContact NH1-OD2 2.79Å; R455-D529 VanDerWaalsContact NH1-OD2 3.08Å; R455-D529 IonicContact NH2-OD1 3.79Å; R455-D529 PolarHBondContact NH2-OD1 3.48Å
456	A	98.3	Very high	98.2	Very high	82 Å²	82	23 Å²	23	68%	0.678	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-68.6	-15	-179.5	0	0	0	0	0	114.6	G454 S458	G454-A456 PolarHBondContact O-N 3.21Å; A456-S458 VanDerWaalsContact C-N 3.31Å
457	Y	98.4	Very high	98.3	Very high	47 Å²	47	22.4 Å²	22.4	18%	0.184	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-96.1	13.8	-179	-68.9	-91.1	0	0	0	113.1	V426 V429 A430 K436 Y450 G454 R455	V426-Y457 HydrophobicContact CG1-CE1 3.59Å; V426-Y457 WeakPolarHBondContact CG1-OH 3.46Å; V429-Y457 HydrophobicContact CB-CD1 4.39Å; V429-Y457 HydrophobicContact CG1-CD1 3.79Å; V429-Y457 HydrophobicContact CG1-CG 3.95Å; A430-Y457 HydrophobicContact CB-CD1 4.03Å; A430-Y457 HydrophobicContact CB-CE1 4.1Å; K436-Y457 PolarHBondContact NZ-O 2.79Å; Y450-Y457 VanDerWaalsContact CA-CE2 3.41Å; Y450-Y457 HydrophobicContact CD1-CE2 4.1Å; Y450-Y457 HydrophobicContact CG-CE2 4.08Å; G454-Y457 PolarHBondContact O-N 3.07Å; R455-Y457 PolarHBondContact O-N 3.09Å
458	S	97.9	Very high	98.4	Very high	61 Å²	61	20.1 Å²	20.1	43%	0.427	11%	0.106	S	C	.	.			trans	52.1	53.8	173.7	-51.9	0	0	0	0	113.6	R455 A456	R455-S458 PolarHBondContact O-N 2.99Å; A456-S458 VanDerWaalsContact C-N 3.31Å
459	P	98.7	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.			trans	-62.3	144.7	165.7	31.1	-35.5	0	0	0	109.4	R155 K436 F461 L462	R155-P459 PolarHBondContact NH2-O 2.63Å; K436-P459 HydrophobicContact CB-CB 4.42Å; K436-P459 CarbonylContact O-C 3.58Å; K436-P459 WeakPolarHBondContact O-CA 3.44Å; P459-F461 PolarHBondContact O-N 3.47Å; P459-L462 HydrophobicContact CG-CB 3.93Å; P459-L462 HydrophobicContact CG-CD1 4.12Å
460	R	98.7	Very high	98.5	Very high	32 Å²	32	22 Å²	22	12%	0.121	11%	0.113	C	C	.	.	S	Bend	trans	-57	-38.6	175.8	-60.1	-53.7	-176.5	101.4	-9.9	110.5	R155 Q162 N163 P435 K436 A548	R155-R460 PolarHBondContact NH2-O 2.57Å; Q162-R460 PolarHBondContact O-NH1 2.88Å; N163-R460 WeakPolarHBondContact OD1-CD 3.38Å; N163-R460 PolarHBondContact OD1-NH1 3.26Å; P435-R460 HydrophobicContact CB-CG 4.21Å; K436-R460 PolarHBondContact O-N 3.31Å; R460-A548 HydrophobicContact CG-CB 4.37Å
461	F	98.9	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.7	173.3	-58	-87.5	0	0	0	110.2	L100 I123 I159 I437 T438 P459 Y463 D529 S544 A547	L100-F461 HydrophobicContact CD2-CD1 4.34Å; L100-F461 HydrophobicContact CD2-CE1 4.38Å; I123-F461 HydrophobicContact CD1-CE1 3.79Å; I123-F461 HydrophobicContact CD1-CZ 3.68Å; I159-F461 HydrophobicContact CD1-CD1 4.3Å; I159-F461 HydrophobicContact CD1-CE1 4.2Å; I159-F461 HydrophobicContact CG2-CE1 3.63Å; I159-F461 HydrophobicContact CG2-CZ 3.75Å; I437-F461 WeakPolarHBondContact CA-O 3.47Å; I437-F461 HydrophobicContact CD1-CD2 4.32Å; I437-F461 HydrophobicContact CG1-CD2 4.31Å; I437-F461 HydrophobicContact CG2-CB 4.31Å; T438-F461 PolarHBondContact N-O 2.93Å; P459-F461 PolarHBondContact O-N 3.47Å; F461-Y463 HydrophobicContact CB-CD2 4.37Å; F461-Y463 HydrophobicContact CB-CE2 3.56Å; F461-Y463 VanDerWaalsContact CD1-OH 3.24Å; F461-Y463 WeakPolarHBondContact CD1-OH 3.25Å; F461-Y463 HydrophobicContact CG-CE2 4.3Å; F461-D529 WeakPolarHBondContact CA-OD2 3.42Å; F461-S544 WeakPolarHBondContact CE2-O 3.12Å; F461-A547 HydrophobicContact CE2-CB 4.39Å; F461-A547 HydrophobicContact CZ-CB 4.1Å
462	L	98.9	Very high	98.3	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.4	170.9	-172.3	154.6	0	0	0	109.5	T438 I440 R455 P459 D528 D529	T438-L462 HydrophobicContact CG2-CD1 3.98Å; T438-L462 HydrophobicContact CG2-CG 3.97Å; T438-L462 CarbonylContact O-C 3.48Å; T438-L462 VanDerWaalsContact O-CA 3.29Å; T438-L462 WeakPolarHBondContact O-CA 3.4Å; I440-L462 HydrophobicContact CD1-CD2 3.99Å; I440-L462 HydrophobicContact CG1-CD2 4.43Å; R455-L462 HydrophobicContact CB-CD1 4.23Å; P459-L462 HydrophobicContact CG-CB 3.93Å; P459-L462 HydrophobicContact CG-CD1 4.12Å; L462-D528 HydrophobicContact CD2-CB 3.49Å; L462-D528 VanDerWaalsContact CD2-CB 3.49Å; L462-D529 PolarHBondContact N-OD2 2.74Å; L462-D529 WeakPolarHBondContact O-CB 3.47Å; L462-D529 PolarHBondContact O-N 2.73Å
463	Y	98.9	Very high	98.1	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	163.2	177.4	-57.6	-71.9	0	0	0	111.3	T438 L439 I440 F461 D529 I532 V540 S544	T438-Y463 PolarHBondContact O-N 3.25Å; L439-Y463 WeakPolarHBondContact CA-O 3.48Å; I440-Y463 PolarHBondContact N-O 2.86Å; F461-Y463 HydrophobicContact CB-CD2 4.37Å; F461-Y463 HydrophobicContact CB-CE2 3.56Å; F461-Y463 VanDerWaalsContact CD1-OH 3.24Å; F461-Y463 WeakPolarHBondContact CD1-OH 3.25Å; F461-Y463 HydrophobicContact CG-CE2 4.3Å; Y463-D529 HydrophobicContact CD1-CB 4.42Å; Y463-D529 HydrophobicContact CE1-CB 4.11Å; Y463-I532 HydrophobicContact CD1-CG2 3.94Å; Y463-I532 HydrophobicContact CG-CD1 4.41Å; Y463-I532 HydrophobicContact CG-CG2 4.3Å; Y463-V540 HydrophobicContact CD1-CG1 4.33Å; Y463-V540 HydrophobicContact CD2-CG1 3.81Å; Y463-V540 HydrophobicContact CE1-CG1 4.04Å; Y463-V540 HydrophobicContact CE2-CG1 3.47Å; Y463-V540 VanDerWaalsContact CE2-CG1 3.47Å; Y463-V540 HydrophobicContact CG-CG1 4.22Å; Y463-S544 WeakPolarHBondContact CE2-OG 3.29Å; Y463-S544 PolarHBondContact OH-OG 3.47Å
464	I	98.9	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.6	179.2	-172.3	160.7	0	0	0	110.4	I440 A468 I470 P519 D528 G530 I531 I532	I440-I464 HydrophobicContact CB-CB 4.32Å; I440-I464 HydrophobicContact CB-CD1 4.41Å; I440-I464 HydrophobicContact CB-CG1 4.01Å; I440-I464 HydrophobicContact CD1-CD1 4.24Å; I440-I464 HydrophobicContact CG2-CD1 4.44Å; I440-I464 HydrophobicContact CG2-CG1 4.35Å; I464-A468 HydrophobicContact CD1-CB 3.89Å; I464-A468 HydrophobicContact CG1-CB 3.5Å; I464-A468 VanDerWaalsContact CG1-CB 3.5Å; I464-I470 HydrophobicContact CD1-CG2 4.43Å; I464-P519 HydrophobicContact CD1-CB 4.06Å; I464-P519 HydrophobicContact CD1-CG 4.11Å; I464-P519 HydrophobicContact CG1-CB 4.2Å; I464-P519 HydrophobicContact CG1-CG 4.29Å; I464-P519 HydrophobicContact CG2-CB 4.25Å; I464-D528 HydrophobicContact CB-CB 4.44Å; I464-D528 HydrophobicContact CG2-CB 4.05Å; I464-G530 PolarHBondContact N-O 2.76Å; I464-G530 VanDerWaalsContact N-O 3.17Å; I464-I531 HydrophobicContact CG2-CB 4.31Å; I464-I531 HydrophobicContact CG2-CG1 3.84Å; I464-I531 CarbonylContact O-C 3.6Å; I464-I531 VanDerWaalsContact O-CA 3.24Å; I464-I531 WeakPolarHBondContact O-CA 3.37Å; I464-I532 PolarHBondContact O-N 2.83Å
465	W	98.9	Very high	97.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.			trans	-83.3	157.9	171.1	-77.6	-1.2	0	0	0	111.9	M49 L317 V321 V334 L439 I440 I441 N467 A468 P519 P534 T537	M49-W465 HydrophobicContact CE-CE3 4.46Å; L317-W465 HydrophobicContact CB-CH2 4.46Å; L317-W465 HydrophobicContact CD1-CH2 4.27Å; L317-W465 HydrophobicContact CD1-CZ2 4.26Å; L317-W465 HydrophobicContact CD2-CH2 4.28Å; V321-W465 HydrophobicContact CB-CZ3 3.9Å; V321-W465 HydrophobicContact CG1-CE3 4.25Å; V321-W465 HydrophobicContact CG1-CZ3 3.88Å; V321-W465 HydrophobicContact CG2-CH2 4.29Å; V321-W465 HydrophobicContact CG2-CZ3 3.71Å; V334-W465 HydrophobicContact CG1-CH2 4.04Å; V334-W465 HydrophobicContact CG1-CZ2 4.43Å; V334-W465 HydrophobicContact CG2-CH2 4.42Å; L439-W465 HydrophobicContact CD2-CZ2 4.3Å; I440-W465 PolarHBondContact O-N 3.48Å; I441-W465 HydrophobicContact CB-CD2 3.95Å; I441-W465 HydrophobicContact CB-CE3 3.65Å; I441-W465 HydrophobicContact CB-CH2 4.18Å; I441-W465 HydrophobicContact CB-CZ2 4.45Å; I441-W465 HydrophobicContact CB-CZ3 3.8Å; I441-W465 HydrophobicContact CG2-CD2 3.78Å; I441-W465 HydrophobicContact CG2-CE3 3.94Å; I441-W465 HydrophobicContact CG2-CG 4.46Å; I441-W465 HydrophobicContact CG2-CH2 3.93Å; I441-W465 HydrophobicContact CG2-CZ2 3.77Å; I441-W465 HydrophobicContact CG2-CZ3 4.03Å; W465-N467 VanDerWaalsContact C-N 3.26Å; W465-N467 WeakPolarHBondContact CB-OD1 3.38Å; W465-N467 PolarHBondContact O-N 3.35Å; W465-A468 WeakPolarHBondContact O-CB 3.39Å; W465-A468 PolarHBondContact O-N 3.31Å; W465-A468 VanDerWaalsContact O-N 3.15Å; W465-P519 WeakPolarHBondContact O-CG 3.04Å; W465-P534 HydrophobicContact CD2-CB 3.93Å; W465-P534 HydrophobicContact CD2-CG 3.78Å; W465-P534 HydrophobicContact CE3-CB 4.15Å; W465-P534 HydrophobicContact CE3-CG 4.01Å; W465-P534 HydrophobicContact CG-CG 4.03Å; W465-P534 HydrophobicContact CH2-CB 4.01Å; W465-P534 HydrophobicContact CZ2-CB 3.77Å; W465-P534 HydrophobicContact CZ3-CB 4.16Å; W465-P534 HydrophobicContact CZ3-CG 4.45Å; W465-T537 WeakPolarHBondContact CZ2-OG1 3.34Å; W465-T537 PolarHBondContact NE1-OG1 3.15Å
466	P	98.6	Very high	97.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.019	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19	-174.6	29.5	-37.7	0	0	0	114	M49 L52 V53 I531 I532	M49-P466 HydrophobicContact SD-CG 4.1Å; L52-P466 HydrophobicContact CB-CB 4.08Å; L52-P466 HydrophobicContact CB-CG 4.28Å; V53-P466 HydrophobicContact CG2-CG 4.23Å; P466-I531 HydrophobicContact CB-CG2 4.11Å; P466-I532 WeakPolarHBondContact CD-O 3.44Å
467	N	98.3	Very high	96.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-20.9	173.4	69.3	-45.1	0	0	0	113.7	M49 L52 G322 I441 W465 R469	M49-N467 HydrophobicContact CE-CB 3.84Å; M49-N467 HydrophobicContact SD-CB 4.1Å; L52-N467 HydrophobicContact CD1-CB 3.96Å; G322-N467 PolarHBondContact O-ND2 2.82Å; G322-N467 VanDerWaalsContact O-ND2 3.11Å; I441-N467 PolarHBondContact O-ND2 2.95Å; I441-N467 VanDerWaalsContact O-ND2 3.15Å; W465-N467 VanDerWaalsContact C-N 3.26Å; W465-N467 WeakPolarHBondContact CB-OD1 3.38Å; W465-N467 PolarHBondContact O-N 3.35Å; N467-R469 PolarHBondContact O-NH1 3.27Å; N467-R469 VanDerWaalsContact O-NH1 3.09Å
468	A	98.3	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.			trans	-65.4	162.4	-168.1	0	0	0	0	0	113	I440 G442 I464 W465 P519	I440-A468 HydrophobicContact CB-CB 4.47Å; I440-A468 HydrophobicContact CG2-CB 3.78Å; G442-A468 CarbonylContact O-C 3.26Å; G442-A468 WeakPolarHBondContact O-CA 3.18Å; G442-A468 WeakPolarHBondContact O-CB 3.23Å; I464-A468 HydrophobicContact CD1-CB 3.89Å; I464-A468 HydrophobicContact CG1-CB 3.5Å; I464-A468 VanDerWaalsContact CG1-CB 3.5Å; W465-A468 WeakPolarHBondContact O-CB 3.39Å; W465-A468 PolarHBondContact O-N 3.31Å; W465-A468 VanDerWaalsContact O-N 3.15Å; A468-P519 WeakPolarHBondContact O-CD 3.34Å; A468-P519 WeakPolarHBondContact O-CG 3.28Å
469	R	98	Very high	96.3	Very high	37 Å²	37	25.4 Å²	25.4	14%	0.14	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.3	172.9	-68.4	-66.9	178.9	-77.8	-2.7	110.8	L325 G442 S444 Y445 N467 E514 G517	L325-R469 HydrophobicContact CD1-CB 3.73Å; L325-R469 HydrophobicContact CD1-CG 3.38Å; G442-R469 PolarHBondContact O-N 3.38Å; S444-R469 PolarHBondContact N-O 3.06Å; Y445-R469 HydrophobicContact CE1-CB 4.36Å; Y445-R469 VanDerWaalsContact OH-CB 3.25Å; Y445-R469 WeakPolarHBondContact OH-CB 3.38Å; N467-R469 PolarHBondContact O-NH1 3.27Å; N467-R469 VanDerWaalsContact O-NH1 3.09Å; R469-E514 IonicContact CZ-OE1 2.63Å; R469-E514 IonicContact NE-OE1 2.73Å; R469-E514 PolarHBondContact NE-OE1 3.24Å; R469-E514 IonicContact NE-OE2 2.8Å; R469-E514 PolarHBondContact NE-OE2 3.45Å; R469-E514 IonicContact NH2-OE1 2.85Å; R469-E514 PolarHBondContact NH2-OE1 3.43Å; R469-G517 VanDerWaalsContact CA-O 3.26Å; R469-G517 WeakPolarHBondContact CA-O 3.37Å; R469-G517 VanDerWaalsContact CD-O 3.26Å; R469-G517 WeakPolarHBondContact CD-O 3.28Å
470	I	97.8	Very high	96.1	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.128	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.9	179.2	-176.6	169.7	0	0	0	111.3	I440 S444 I464 G517 W527	I440-I470 HydrophobicContact CD1-CD1 4.14Å; S444-I470 WeakPolarHBondContact O-CA 3.48Å; I464-I470 HydrophobicContact CD1-CG2 4.43Å; I470-G517 PolarHBondContact N-O 2.8Å; I470-G517 VanDerWaalsContact O-CA 3.24Å; I470-G517 WeakPolarHBondContact O-CA 3.36Å; I470-W527 HydrophobicContact CG2-CE3 4.39Å
471	S	96.8	Very high	95.9	Very high	27 Å²	27	31 Å²	31	19%	0.189	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	173.7	176.1	62.7	0	0	0	0	111.4	S444 Y445 G446 M473	S444-S471 PolarHBondContact O-N 3.26Å; Y445-S471 WeakPolarHBondContact CA-O 3.37Å; Y445-S471 WeakPolarHBondContact CD1-OG 3.33Å; Y445-S471 WeakPolarHBondContact CE1-OG 3.44Å; G446-S471 PolarHBondContact N-O 3.14Å; S471-M473 PolarHBondContact O-N 2.84Å; S471-M473 PolarHBondContact OG-O 2.88Å
472	V	96.1	Very high	95.6	Very high	91 Å²	91	35 Å²	35	55%	0.552	19%	0.191	S	C	*	.	S	Bend	trans	-63.3	-30.9	177.4	67.5	0	0	0	0	112.7	G446 F513	G446-V472 WeakPolarHBondContact CA-O 3.47Å; G446-V472 PolarHBondContact N-O 3.13Å; G446-V472 VanDerWaalsContact N-O 3.1Å; V472-F513 HydrophobicContact CG1-CE1 3.89Å; V472-F513 HydrophobicContact CG1-CZ 4.25Å
473	M	93.6	Very high	95.3	Very high	70 Å²	70	34.9 Å²	34.9	35%	0.345	19%	0.191	S	C	.	.	S	Bend	trans	-164.5	170.7	172.5	66	-176.4	72.9	0	0	109.8	S471 Q477 A478 F513	S471-M473 PolarHBondContact O-N 2.84Å; S471-M473 PolarHBondContact OG-O 2.88Å; M473-Q477 HydrophobicContact SD-CB 4.49Å; M473-A478 HydrophobicContact CG-CB 3.85Å; M473-A478 VanDerWaalsContact SD-CA 3.6Å; M473-A478 HydrophobicContact SD-CB 3.8Å; M473-F513 HydrophobicContact CG-CE1 4.12Å; M473-F513 WeakPolarHBondContact O-CD1 2.91Å
474	G	91.8	Very high	95.1	Very high	13 Å²	13	38.4 Å²	38.4	13%	0.134	21%	0.213	C	C	.	.			trans	-63	143.3	176.2	0	0	0	0	0	112.6	E476 Q477 A478	G474-E476 PolarHBondContact O-N 2.87Å; G474-Q477 WeakPolarHBondContact O-CA 3.12Å; G474-Q477 WeakPolarHBondContact O-CB 3.22Å; G474-Q477 PolarHBondContact O-N 3.08Å; G474-A478 PolarHBondContact O-N 3.07Å
475	G	92.4	Very high	94.8	Very high	18 Å²	18	42.2 Å²	42.2	19%	0.186	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-42.5	-176.8	0	0	0	0	0	113.8	Q477 A478 A479 F513	G475-Q477 VanDerWaalsContact C-N 3.31Å; G475-Q477 PolarHBondContact O-N 3.11Å; G475-A478 PolarHBondContact O-N 3.13Å; G475-A479 VanDerWaalsContact O-CB 3.3Å; G475-A479 WeakPolarHBondContact O-CB 3.37Å; G475-A479 PolarHBondContact O-N 3.2Å; G475-F513 VanDerWaalsContact CA-CB 3.46Å
476	E	91.8	Very high	94.5	Very high	99 Å²	99	43.2 Å²	43.2	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-39.5	174.1	-69.5	178	-170.1	0	0	111.9	K326 G474 N480 I510	K326-E476 IonicContact NZ-OE1 2.8Å; K326-E476 PolarHBondContact NZ-OE1 3.42Å; K326-E476 IonicContact NZ-OE2 3.25Å; K326-E476 PolarHBondContact NZ-OE2 2.74Å; G474-E476 PolarHBondContact O-N 2.87Å; E476-N480 WeakPolarHBondContact O-CB 3.47Å; E476-N480 PolarHBondContact O-N 3.22Å; E476-N480 PolarHBondContact O-ND2 3.25Å; E476-N480 VanDerWaalsContact O-ND2 3.08Å; E476-I510 HydrophobicContact CG-CD1 4.42Å
477	Q	90.8	Very high	94.2	Very high	104 Å²	104	48.6 Å²	48.6	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-47.6	178	-63.8	174.2	-30.4	0	0	110.9	M473 G474 G475 A479 N480 V481	M473-Q477 HydrophobicContact SD-CB 4.49Å; G474-Q477 WeakPolarHBondContact O-CA 3.12Å; G474-Q477 WeakPolarHBondContact O-CB 3.22Å; G474-Q477 PolarHBondContact O-N 3.08Å; G475-Q477 VanDerWaalsContact C-N 3.31Å; G475-Q477 PolarHBondContact O-N 3.11Å; Q477-A479 VanDerWaalsContact C-N 3.34Å; Q477-A479 PolarHBondContact O-N 3.27Å; Q477-N480 PolarHBondContact O-N 3.02Å; Q477-V481 WeakPolarHBondContact O-CG2 3.42Å; Q477-V481 PolarHBondContact O-N 2.95Å
478	A	92.4	Very high	93.9	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-45.5	177.4	0	0	0	0	0	111.9	M473 G474 G475 N480 V481 L482 I509 F513	M473-A478 HydrophobicContact CG-CB 3.85Å; M473-A478 VanDerWaalsContact SD-CA 3.6Å; M473-A478 HydrophobicContact SD-CB 3.8Å; G474-A478 PolarHBondContact O-N 3.07Å; G475-A478 PolarHBondContact O-N 3.13Å; A478-N480 PolarHBondContact O-N 3.34Å; A478-V481 PolarHBondContact O-N 3.2Å; A478-L482 WeakPolarHBondContact O-CG 3.35Å; A478-L482 PolarHBondContact O-N 2.84Å; A478-I509 HydrophobicContact CB-CG2 4.18Å; A478-F513 HydrophobicContact CB-CD1 4.24Å; A478-F513 HydrophobicContact CB-CD2 4.32Å; A478-F513 HydrophobicContact CB-CE1 3.69Å; A478-F513 HydrophobicContact CB-CE2 3.78Å; A478-F513 HydrophobicContact CB-CZ 3.43Å; A478-F513 VanDerWaalsContact CB-CZ 3.43Å
479	A	94.5	Very high	93.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-42.6	178.5	0	0	0	0	0	112	G475 Q477 A483 K506 I509 I510	G475-A479 VanDerWaalsContact O-CB 3.3Å; G475-A479 WeakPolarHBondContact O-CB 3.37Å; G475-A479 PolarHBondContact O-N 3.2Å; Q477-A479 VanDerWaalsContact C-N 3.34Å; Q477-A479 PolarHBondContact O-N 3.27Å; A479-A483 VanDerWaalsContact O-CB 3.24Å; A479-A483 WeakPolarHBondContact O-CB 3.46Å; A479-A483 PolarHBondContact O-N 3.1Å; A479-K506 HydrophobicContact CB-CB 3.93Å; A479-K506 HydrophobicContact CB-CG 3.88Å; A479-I509 HydrophobicContact CB-CB 4.08Å; A479-I509 HydrophobicContact CB-CG2 3.95Å; A479-I510 HydrophobicContact CB-CD1 4.18Å; A479-I510 HydrophobicContact CB-CG1 3.69Å
480	N	94.3	Very high	93.4	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-40.1	176.7	-73.2	-28.1	0	0	0	113.1	E476 Q477 A478 T484 K506	E476-N480 WeakPolarHBondContact O-CB 3.47Å; E476-N480 PolarHBondContact O-N 3.22Å; E476-N480 PolarHBondContact O-ND2 3.25Å; E476-N480 VanDerWaalsContact O-ND2 3.08Å; Q477-N480 PolarHBondContact O-N 3.02Å; A478-N480 PolarHBondContact O-N 3.34Å; N480-T484 PolarHBondContact O-N 3.32Å; N480-T484 PolarHBondContact O-OG1 3.07Å; N480-K506 WeakPolarHBondContact OD1-CE 3.2Å; N480-K506 PolarHBondContact OD1-NZ 2.99Å
481	V	93.7	Very high	93.2	Very high	77 Å²	77	63.2 Å²	63.2	47%	0.467	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-48.3	177.1	170.8	0	0	0	0	110.6	Q477 A478 A483 T484 I485	Q477-V481 WeakPolarHBondContact O-CG2 3.42Å; Q477-V481 PolarHBondContact O-N 2.95Å; A478-V481 PolarHBondContact O-N 3.2Å; V481-A483 VanDerWaalsContact C-N 3.33Å; V481-A483 PolarHBondContact O-N 3.04Å; V481-T484 PolarHBondContact O-N 3.13Å; V481-I485 HydrophobicContact CG1-CD1 3.98Å; V481-I485 WeakPolarHBondContact O-CG1 3.49Å; V481-I485 PolarHBondContact O-N 3.39Å
482	L	93.1	Very high	93.1	Very high	82 Å²	82	72.3 Å²	72.3	43%	0.429	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-36.9	179.8	-70.7	173.2	0	0	0	112.2	A478 I485 A486 I509	A478-L482 WeakPolarHBondContact O-CG 3.35Å; A478-L482 PolarHBondContact O-N 2.84Å; L482-I485 PolarHBondContact O-N 3.3Å; L482-A486 WeakPolarHBondContact O-CB 3.44Å; L482-A486 PolarHBondContact O-N 3.47Å; L482-I509 HydrophobicContact CB-CD1 3.99Å; L482-I509 HydrophobicContact CD1-CD1 3.63Å; L482-I509 HydrophobicContact CD1-CG1 4.33Å; L482-I509 HydrophobicContact CD1-CG2 4.38Å; L482-I509 HydrophobicContact CG-CD1 4.45Å
483	A	93.6	Very high	93	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-42.9	172.3	0	0	0	0	0	112.9	A479 V481 A486 K487 E502 L505 K506	A479-A483 VanDerWaalsContact O-CB 3.24Å; A479-A483 WeakPolarHBondContact O-CB 3.46Å; A479-A483 PolarHBondContact O-N 3.1Å; V481-A483 VanDerWaalsContact C-N 3.33Å; V481-A483 PolarHBondContact O-N 3.04Å; A483-A486 PolarHBondContact O-N 3.41Å; A483-K487 WeakPolarHBondContact O-CB 3.34Å; A483-K487 PolarHBondContact O-N 3.18Å; A483-E502 HydrophobicContact CB-CG 3.98Å; A483-L505 HydrophobicContact CB-CD2 4.42Å; A483-K506 HydrophobicContact CB-CD 4.36Å; A483-K506 HydrophobicContact CB-CG 4.07Å
484	T	93.1	Very high	92.9	Very high	77 Å²	77	73.5 Å²	73.5	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-46.5	176.3	-55.7	0	0	0	0	111.3	N480 V481 A486 K487 D488	N480-T484 PolarHBondContact O-N 3.32Å; N480-T484 PolarHBondContact O-OG1 3.07Å; V481-T484 PolarHBondContact O-N 3.13Å; T484-A486 PolarHBondContact O-N 2.9Å; T484-K487 WeakPolarHBondContact O-CB 3.39Å; T484-K487 PolarHBondContact O-N 2.99Å; T484-D488 PolarHBondContact O-N 2.98Å
485	I	93.8	Very high	92.9	Very high	80 Å²	80	78 Å²	78	41%	0.41	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-44.5	177.9	-66.6	168.3	0	0	0	111	V481 L482 K487 D488 Q489	V481-I485 HydrophobicContact CG1-CD1 3.98Å; V481-I485 WeakPolarHBondContact O-CG1 3.49Å; V481-I485 PolarHBondContact O-N 3.39Å; L482-I485 PolarHBondContact O-N 3.3Å; I485-K487 VanDerWaalsContact C-N 3.34Å; I485-K487 PolarHBondContact O-N 3.35Å; I485-D488 PolarHBondContact O-N 3.34Å; I485-Q489 HydrophobicContact CG2-CG 4.48Å; I485-Q489 WeakPolarHBondContact O-CB 3.1Å; I485-Q489 WeakPolarHBondContact O-CG 3.15Å; I485-Q489 PolarHBondContact O-N 2.97Å
486	A	92.2	Very high	92.6	Very high	22 Å²	22	85.8 Å²	85.8	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-62.7	-42.2	178.1	0	0	0	0	0	111.6	L482 A483 T484 Q489 R490 F497 L505	L482-A486 WeakPolarHBondContact O-CB 3.44Å; L482-A486 PolarHBondContact O-N 3.47Å; A483-A486 PolarHBondContact O-N 3.41Å; T484-A486 PolarHBondContact O-N 2.9Å; A486-Q489 PolarHBondContact O-N 3.23Å; A486-R490 WeakPolarHBondContact O-CB 3.33Å; A486-R490 WeakPolarHBondContact O-CG 3.21Å; A486-R490 PolarHBondContact O-N 3.04Å; A486-F497 HydrophobicContact CB-CE2 4.32Å; A486-F497 HydrophobicContact CB-CZ 4.22Å; A486-L505 HydrophobicContact CB-CD2 3.74Å
487	K	92.6	Very high	92.5	Very high	115 Å²	115	83 Å²	83	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-46.4	175.1	-174.7	178.5	-179.4	177.1	0	111.8	A483 T484 I485 R490 A491 F497	A483-K487 WeakPolarHBondContact O-CB 3.34Å; A483-K487 PolarHBondContact O-N 3.18Å; T484-K487 WeakPolarHBondContact O-CB 3.39Å; T484-K487 PolarHBondContact O-N 2.99Å; I485-K487 VanDerWaalsContact C-N 3.34Å; I485-K487 PolarHBondContact O-N 3.35Å; K487-R490 PolarHBondContact O-N 3.22Å; K487-A491 WeakPolarHBondContact O-CB 3.47Å; K487-A491 PolarHBondContact O-N 3.01Å; K487-F497 HydrophobicContact CB-CD1 3.66Å; K487-F497 HydrophobicContact CB-CE1 4.15Å; K487-F497 HydrophobicContact CB-CG 4.28Å; K487-F497 HydrophobicContact CD-CD1 4.45Å; K487-F497 HydrophobicContact CG-CB 4.32Å; K487-F497 HydrophobicContact CG-CD1 3.97Å
488	D	92.7	Very high	92.5	Very high	81 Å²	81	80.4 Å²	80.4	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-39.9	179.4	-72.1	-12.5	0	0	0	112.2	T484 I485 A491 R492	T484-D488 PolarHBondContact O-N 2.98Å; I485-D488 PolarHBondContact O-N 3.34Å; D488-A491 PolarHBondContact O-N 2.84Å; D488-R492 WeakPolarHBondContact O-CG 3.07Å; D488-R492 PolarHBondContact O-N 3.45Å
489	Q	93.3	Very high	92.4	Very high	109 Å²	109	85 Å²	85	51%	0.509	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-47.5	174.2	-75.1	178.1	-5.1	0	0	111.4	I485 A486 A491 R492 E493	I485-Q489 HydrophobicContact CG2-CG 4.48Å; I485-Q489 WeakPolarHBondContact O-CB 3.1Å; I485-Q489 WeakPolarHBondContact O-CG 3.15Å; I485-Q489 PolarHBondContact O-N 2.97Å; A486-Q489 PolarHBondContact O-N 3.23Å; Q489-A491 VanDerWaalsContact C-N 3.33Å; Q489-A491 PolarHBondContact O-N 3.03Å; Q489-R492 PolarHBondContact O-N 3.01Å; Q489-E493 WeakPolarHBondContact O-CG 3.33Å; Q489-E493 PolarHBondContact O-N 3.47Å
490	R	92.4	Very high	92.2	Very high	114 Å²	114	88 Å²	88	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-61.1	-41.9	177.2	-71.6	-73.7	-177.8	140.6	-0.5	111.7	A486 K487 R492 E493 G494 K495 F497	A486-R490 WeakPolarHBondContact O-CB 3.33Å; A486-R490 WeakPolarHBondContact O-CG 3.21Å; A486-R490 PolarHBondContact O-N 3.04Å; K487-R490 PolarHBondContact O-N 3.22Å; R490-R492 PolarHBondContact O-N 2.81Å; R490-E493 CarbonylContact O-C 3.38Å; R490-E493 PolarHBondContact O-N 3.33Å; R490-E493 VanDerWaalsContact O-N 3.14Å; R490-G494 PolarHBondContact O-N 2.96Å; R490-G494 VanDerWaalsContact O-N 3.16Å; R490-K495 CarbonylContact C-O 3.37Å; R490-K495 HydrophobicContact CB-CB 4.26Å; R490-K495 PolarHBondContact O-N 2.83Å; R490-F497 HydrophobicContact CB-CB 4.29Å; R490-F497 HydrophobicContact CG-CD2 4.27Å
491	A	92.5	Very high	92	Very high	68 Å²	68	88.1 Å²	88.1	56%	0.562	48%	0.476	S	S	*	.	H	α-helix	trans	-60.9	-42	175.5	0	0	0	0	0	112.2	K487 D488 Q489 E493 G494	K487-A491 WeakPolarHBondContact O-CB 3.47Å; K487-A491 PolarHBondContact O-N 3.01Å; D488-A491 PolarHBondContact O-N 2.84Å; Q489-A491 VanDerWaalsContact C-N 3.33Å; Q489-A491 PolarHBondContact O-N 3.03Å; A491-E493 VanDerWaalsContact C-N 3.27Å; A491-E493 PolarHBondContact O-N 2.97Å; A491-G494 PolarHBondContact O-N 3.38Å; A491-G494 VanDerWaalsContact O-N 3.07Å
492	R	93.8	Very high	91.9	Very high	218 Å²	218	87.2 Å²	87.2	82%	0.823	47%	0.466	S	S	*	.	H	α-helix	trans	-64.1	-30.7	174.6	-71.6	174	-170.7	-177.5	4.4	113.1	D488 Q489 R490 G494	D488-R492 WeakPolarHBondContact O-CG 3.07Å; D488-R492 PolarHBondContact O-N 3.45Å; Q489-R492 PolarHBondContact O-N 3.01Å; R490-R492 PolarHBondContact O-N 2.81Å; R492-G494 VanDerWaalsContact C-N 3.27Å
493	E	94.1	Very high	91.8	Very high	113 Å²	113	85.9 Å²	85.9	53%	0.528	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.4	174.5	-66.6	178	-171.6	0	0	113.5	Q489 R490 A491 K495	Q489-E493 WeakPolarHBondContact O-CG 3.33Å; Q489-E493 PolarHBondContact O-N 3.47Å; R490-E493 CarbonylContact O-C 3.38Å; R490-E493 PolarHBondContact O-N 3.33Å; R490-E493 VanDerWaalsContact O-N 3.14Å; A491-E493 VanDerWaalsContact C-N 3.27Å; A491-E493 PolarHBondContact O-N 2.97Å; E493-K495 HydrophobicContact CB-CD 4.22Å; E493-K495 HydrophobicContact CB-CG 4.24Å; E493-K495 PolarHBondContact O-N 2.85Å; E493-K495 WeakPolarHBondContact OE2-CD 3.19Å; E493-K495 WeakPolarHBondContact OE2-CE 3.39Å; E493-K495 IonicContact OE2-NZ 3.77Å; E493-K495 PolarHBondContact OE2-NZ 3.4Å
494	G	91.3	Very high	91.8	Very high	74 Å²	74	89.1 Å²	89.1	76%	0.763	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	16.6	-175.9	0	0	0	0	0	114.3	R490 A491 R492	R490-G494 PolarHBondContact O-N 2.96Å; R490-G494 VanDerWaalsContact O-N 3.16Å; A491-G494 PolarHBondContact O-N 3.38Å; A491-G494 VanDerWaalsContact O-N 3.07Å; R492-G494 VanDerWaalsContact C-N 3.27Å
495	K	91.8	Very high	91.8	Very high	108 Å²	108	88.3 Å²	88.3	47%	0.47	49%	0.487	S	S	.	.			trans	-96.2	145.2	179.8	-65.7	175.5	-172.9	159.5	0	110.9	R490 E493	R490-K495 CarbonylContact C-O 3.37Å; R490-K495 HydrophobicContact CB-CB 4.26Å; R490-K495 PolarHBondContact O-N 2.83Å; E493-K495 HydrophobicContact CB-CD 4.22Å; E493-K495 HydrophobicContact CB-CG 4.24Å; E493-K495 PolarHBondContact O-N 2.85Å; E493-K495 WeakPolarHBondContact OE2-CD 3.19Å; E493-K495 WeakPolarHBondContact OE2-CE 3.39Å; E493-K495 IonicContact OE2-NZ 3.77Å; E493-K495 PolarHBondContact OE2-NZ 3.4Å
496	Q	86.1	Confident	91.9	Very high	181 Å²	181	86.4 Å²	86.4	85%	0.846	48%	0.475	S	S	*	.			trans	-75.7	149.4	171.2	-68.9	-171.2	-4.1	0	0	111.2
497	F	90.7	Very high	92.1	Very high	41 Å²	41	92.2 Å²	92.2	18%	0.18	50%	0.499	C	S	.	.			trans	-126.7	103.4	171.9	-171	-113.6	0	0	0	107.3	A486 K487 R490 D501 E502 L505	A486-F497 HydrophobicContact CB-CE2 4.32Å; A486-F497 HydrophobicContact CB-CZ 4.22Å; K487-F497 HydrophobicContact CB-CD1 3.66Å; K487-F497 HydrophobicContact CB-CE1 4.15Å; K487-F497 HydrophobicContact CB-CG 4.28Å; K487-F497 HydrophobicContact CD-CD1 4.45Å; K487-F497 HydrophobicContact CG-CB 4.32Å; K487-F497 HydrophobicContact CG-CD1 3.97Å; R490-F497 HydrophobicContact CB-CB 4.29Å; R490-F497 HydrophobicContact CG-CD2 4.27Å; F497-D501 HydrophobicContact CD2-CB 3.71Å; F497-D501 HydrophobicContact CE2-CB 3.59Å; F497-D501 HydrophobicContact CG-CB 4.46Å; F497-D501 HydrophobicContact CZ-CB 4.26Å; F497-E502 HydrophobicContact CD1-CB 4.38Å; F497-E502 HydrophobicContact CE1-CB 3.61Å; F497-E502 HydrophobicContact CE1-CG 4.04Å; F497-E502 HydrophobicContact CZ-CB 4.04Å; F497-L505 HydrophobicContact CZ-CD2 4.21Å
498	S	90.9	Very high	92.2	Very high	49 Å²	49	90.4 Å²	90.4	34%	0.343	50%	0.499	S	S	.	.			trans	-78.8	165	-175.7	71	0	0	0	0	111.4	A500 D501 E502	S498-A500 PolarHBondContact O-N 3.04Å; S498-A500 PolarHBondContact OG-N 2.81Å; S498-D501 WeakPolarHBondContact CB-OD2 3.45Å; S498-D501 PolarHBondContact N-OD2 2.82Å; S498-D501 PolarHBondContact O-N 2.84Å; S498-D501 PolarHBondContact OG-N 2.97Å; S498-D501 VanDerWaalsContact OG-N 3.12Å; S498-D501 PolarHBondContact OG-OD2 2.69Å; S498-E502 PolarHBondContact O-N 3.11Å
499	S	89.2	Confident	92.4	Very high	100 Å²	100	87.7 Å²	87.7	70%	0.699	48%	0.484	S	S	*	.	H	α-helix	trans	-61.7	-29.5	171.5	51.3	0	0	0	0	112.7	E502 A503	S499-E502 PolarHBondContact O-N 3.41Å; S499-A503 WeakPolarHBondContact O-CB 3.35Å; S499-A503 PolarHBondContact O-N 2.98Å
500	A	91.1	Very high	92.5	Very high	64 Å²	64	85.6 Å²	85.6	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-69.4	-41.7	174.7	0	0	0	0	0	111.5	S498 E502 A503 A504	S498-A500 PolarHBondContact O-N 3.04Å; S498-A500 PolarHBondContact OG-N 2.81Å; A500-E502 VanDerWaalsContact C-N 3.29Å; A500-E502 PolarHBondContact O-N 3.04Å; A500-A503 PolarHBondContact O-N 2.75Å; A500-A504 VanDerWaalsContact O-CB 3.3Å; A500-A504 WeakPolarHBondContact O-CB 3.34Å; A500-A504 PolarHBondContact O-N 2.79Å
501	D	89.8	Confident	92.7	Very high	77 Å²	77	86.5 Å²	86.5	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-39.1	174.1	-58.7	-50.7	0	0	0	111.2	F497 S498 L505	F497-D501 HydrophobicContact CD2-CB 3.71Å; F497-D501 HydrophobicContact CE2-CB 3.59Å; F497-D501 HydrophobicContact CG-CB 4.46Å; F497-D501 HydrophobicContact CZ-CB 4.26Å; S498-D501 WeakPolarHBondContact CB-OD2 3.45Å; S498-D501 PolarHBondContact N-OD2 2.82Å; S498-D501 PolarHBondContact O-N 2.84Å; S498-D501 PolarHBondContact OG-N 2.97Å; S498-D501 VanDerWaalsContact OG-N 3.12Å; S498-D501 PolarHBondContact OG-OD2 2.69Å; D501-L505 WeakPolarHBondContact O-CB 3.31Å; D501-L505 PolarHBondContact O-N 2.84Å
502	E	91.1	Very high	92.9	Very high	57 Å²	57	88.5 Å²	88.5	27%	0.266	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-47.6	176.2	-174.4	169.6	179.3	0	0	111.9	A483 F497 S498 S499 A500 L505 K506	A483-E502 HydrophobicContact CB-CG 3.98Å; F497-E502 HydrophobicContact CD1-CB 4.38Å; F497-E502 HydrophobicContact CE1-CB 3.61Å; F497-E502 HydrophobicContact CE1-CG 4.04Å; F497-E502 HydrophobicContact CZ-CB 4.04Å; S498-E502 PolarHBondContact O-N 3.11Å; S499-E502 PolarHBondContact O-N 3.41Å; A500-E502 VanDerWaalsContact C-N 3.29Å; A500-E502 PolarHBondContact O-N 3.04Å; E502-L505 PolarHBondContact O-N 2.85Å; E502-K506 HydrophobicContact CG-CD 4.11Å; E502-K506 HydrophobicContact CG-CG 4.49Å; E502-K506 WeakPolarHBondContact O-CB 3.28Å; E502-K506 VanDerWaalsContact O-CG 3.28Å; E502-K506 WeakPolarHBondContact O-CG 3.2Å; E502-K506 PolarHBondContact O-N 3.08Å; E502-K506 WeakPolarHBondContact OE1-CE 3.41Å; E502-K506 IonicContact OE1-NZ 2.72Å; E502-K506 PolarHBondContact OE1-NZ 3.06Å
503	A	91.6	Very high	93.1	Very high	55 Å²	55	80 Å²	80	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-63	-46	177.3	0	0	0	0	0	111.9	S499 A500 L505 K506 E507	S499-A503 WeakPolarHBondContact O-CB 3.35Å; S499-A503 PolarHBondContact O-N 2.98Å; A500-A503 PolarHBondContact O-N 2.75Å; A503-L505 PolarHBondContact O-N 2.83Å; A503-K506 PolarHBondContact O-N 2.95Å; A503-K506 VanDerWaalsContact O-N 3.13Å; A503-E507 PolarHBondContact O-N 3.07Å
504	A	94	Very high	93.1	Very high	69 Å²	69	79 Å²	79	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-61.8	-29.4	179	0	0	0	0	0	112.9	A500 P508	A500-A504 VanDerWaalsContact O-CB 3.3Å; A500-A504 WeakPolarHBondContact O-CB 3.34Å; A500-A504 PolarHBondContact O-N 2.79Å; A504-P508 WeakPolarHBondContact O-CD 3.43Å; A504-P508 WeakPolarHBondContact O-CG 3.49Å
505	L	93.8	Very high	93.4	Very high	59 Å²	59	80.5 Å²	80.5	31%	0.309	43%	0.43	S	S	.	.	H	α-helix	trans	-77.6	-43.8	172.8	-176	67.6	0	0	0	112	A483 A486 F497 D501 E502 A503 P508 I509	A483-L505 HydrophobicContact CB-CD2 4.42Å; A486-L505 HydrophobicContact CB-CD2 3.74Å; F497-L505 HydrophobicContact CZ-CD2 4.21Å; D501-L505 WeakPolarHBondContact O-CB 3.31Å; D501-L505 PolarHBondContact O-N 2.84Å; E502-L505 PolarHBondContact O-N 2.85Å; A503-L505 PolarHBondContact O-N 2.83Å; L505-P508 WeakPolarHBondContact O-CD 3.45Å; L505-P508 WeakPolarHBondContact O-CG 3.44Å; L505-I509 HydrophobicContact CD1-CD1 4.38Å; L505-I509 HydrophobicContact CG-CD1 4.15Å; L505-I509 WeakPolarHBondContact O-CD1 3.49Å; L505-I509 WeakPolarHBondContact O-CG1 3.46Å
506	K	95.4	Very high	93.6	Very high	40 Å²	40	78.5 Å²	78.5	17%	0.174	42%	0.423	C	S	.	.	H	α-helix	trans	-71.3	-44.1	-172.4	-75.1	-175.7	-176.5	179.4	0	113.6	A479 N480 A483 E502 A503 I509 I510	A479-K506 HydrophobicContact CB-CB 3.93Å; A479-K506 HydrophobicContact CB-CG 3.88Å; N480-K506 WeakPolarHBondContact OD1-CE 3.2Å; N480-K506 PolarHBondContact OD1-NZ 2.99Å; A483-K506 HydrophobicContact CB-CD 4.36Å; A483-K506 HydrophobicContact CB-CG 4.07Å; E502-K506 HydrophobicContact CG-CD 4.11Å; E502-K506 HydrophobicContact CG-CG 4.49Å; E502-K506 WeakPolarHBondContact O-CB 3.28Å; E502-K506 VanDerWaalsContact O-CG 3.28Å; E502-K506 WeakPolarHBondContact O-CG 3.2Å; E502-K506 PolarHBondContact O-N 3.08Å; E502-K506 WeakPolarHBondContact OE1-CE 3.41Å; E502-K506 IonicContact OE1-NZ 2.72Å; E502-K506 PolarHBondContact OE1-NZ 3.06Å; A503-K506 PolarHBondContact O-N 2.95Å; A503-K506 VanDerWaalsContact O-N 3.13Å; K506-I509 WeakPolarHBondContact O-CB 3.44Å; K506-I509 PolarHBondContact O-N 3.07Å; K506-I509 VanDerWaalsContact O-N 3.14Å; K506-I510 HydrophobicContact CB-CD1 4.43Å; K506-I510 WeakPolarHBondContact O-CG1 3.44Å; K506-I510 PolarHBondContact O-N 3.37Å
507	E	95.1	Very high	94.2	Very high	145 Å²	145	69.9 Å²	69.9	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-54.9	-51.3	-174.3	-173.8	175	-170.7	0	0	114	A503 I509 I510 K511	A503-E507 PolarHBondContact O-N 3.07Å; E507-I509 VanDerWaalsContact C-N 3.26Å; E507-I509 PolarHBondContact O-N 3.48Å; E507-I510 PolarHBondContact O-N 3.14Å; E507-K511 PolarHBondContact O-N 3.05Å
508	P	96.4	Very high	94.5	Very high	77 Å²	77	69.9 Å²	69.9	50%	0.5	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-30.3	178.6	25.1	-34.9	0	0	0	112.8	A504 L505 K512	A504-P508 WeakPolarHBondContact O-CD 3.43Å; A504-P508 WeakPolarHBondContact O-CG 3.49Å; L505-P508 WeakPolarHBondContact O-CD 3.45Å; L505-P508 WeakPolarHBondContact O-CG 3.44Å; P508-K512 VanDerWaalsContact O-CB 3.29Å; P508-K512 WeakPolarHBondContact O-CB 3.3Å; P508-K512 PolarHBondContact O-N 2.61Å
509	I	95.9	Very high	94.9	Very high	24 Å²	24	67.5 Å²	67.5	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-68.4	-48.2	176.4	-62.5	164	0	0	0	110	A478 A479 L482 L505 K506 E507 K511 K512 F513	A478-I509 HydrophobicContact CB-CG2 4.18Å; A479-I509 HydrophobicContact CB-CB 4.08Å; A479-I509 HydrophobicContact CB-CG2 3.95Å; L482-I509 HydrophobicContact CB-CD1 3.99Å; L482-I509 HydrophobicContact CD1-CD1 3.63Å; L482-I509 HydrophobicContact CD1-CG1 4.33Å; L482-I509 HydrophobicContact CD1-CG2 4.38Å; L482-I509 HydrophobicContact CG-CD1 4.45Å; L505-I509 HydrophobicContact CD1-CD1 4.38Å; L505-I509 HydrophobicContact CG-CD1 4.15Å; L505-I509 WeakPolarHBondContact O-CD1 3.49Å; L505-I509 WeakPolarHBondContact O-CG1 3.46Å; K506-I509 WeakPolarHBondContact O-CB 3.44Å; K506-I509 PolarHBondContact O-N 3.07Å; K506-I509 VanDerWaalsContact O-N 3.14Å; E507-I509 VanDerWaalsContact C-N 3.26Å; E507-I509 PolarHBondContact O-N 3.48Å; I509-K511 VanDerWaalsContact C-N 3.32Å; I509-K511 PolarHBondContact O-N 3.2Å; I509-K512 PolarHBondContact O-N 3.43Å; I509-F513 HydrophobicContact CG2-CD2 3.89Å; I509-F513 HydrophobicContact CG2-CE2 3.92Å; I509-F513 VanDerWaalsContact O-CD2 3.28Å; I509-F513 WeakPolarHBondContact O-CD2 3.35Å; I509-F513 PolarHBondContact O-N 3.31Å
510	I	95.7	Very high	95.3	Very high	65 Å²	65	63.4 Å²	63.4	33%	0.333	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-47.4	178.9	-66.9	166.3	0	0	0	110	E476 A479 K506 E507 K512 F513 E514	E476-I510 HydrophobicContact CG-CD1 4.42Å; A479-I510 HydrophobicContact CB-CD1 4.18Å; A479-I510 HydrophobicContact CB-CG1 3.69Å; K506-I510 HydrophobicContact CB-CD1 4.43Å; K506-I510 WeakPolarHBondContact O-CG1 3.44Å; K506-I510 PolarHBondContact O-N 3.37Å; E507-I510 PolarHBondContact O-N 3.14Å; I510-K512 PolarHBondContact O-N 3.2Å; I510-F513 PolarHBondContact O-N 3.17Å; I510-E514 PolarHBondContact O-N 3.1Å
511	K	96.5	Very high	95.7	Very high	132 Å²	132	63.7 Å²	63.7	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-59.5	-47	178.3	-175.5	176.9	175	-179.5	0	111.9	E507 I509 F513 E514 E515	E507-K511 PolarHBondContact O-N 3.05Å; I509-K511 VanDerWaalsContact C-N 3.32Å; I509-K511 PolarHBondContact O-N 3.2Å; K511-F513 VanDerWaalsContact C-N 3.35Å; K511-F513 PolarHBondContact O-N 3.02Å; K511-E514 PolarHBondContact O-N 3.13Å; K511-E515 WeakPolarHBondContact CE-OE1 3.41Å; K511-E515 WeakPolarHBondContact O-CG 3.29Å; K511-E515 PolarHBondContact O-N 3.28Å
512	K	96.8	Very high	96.1	Very high	110 Å²	110	60 Å²	60	48%	0.478	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-45.1	177.8	-178.6	177.4	179.7	179.2	0	112.1	P508 I509 I510 E514 E515 E516	P508-K512 VanDerWaalsContact O-CB 3.29Å; P508-K512 WeakPolarHBondContact O-CB 3.3Å; P508-K512 PolarHBondContact O-N 2.61Å; I509-K512 PolarHBondContact O-N 3.43Å; I510-K512 PolarHBondContact O-N 3.2Å; K512-E514 VanDerWaalsContact C-N 3.33Å; K512-E514 PolarHBondContact O-N 3.2Å; K512-E515 PolarHBondContact O-N 2.93Å; K512-E516 WeakPolarHBondContact CE-OE1 3.28Å; K512-E516 WeakPolarHBondContact CE-OE2 3.18Å; K512-E516 HydrophobicContact CG-CG 4.25Å; K512-E516 IonicContact NZ-OE1 3.17Å; K512-E516 WeakPolarHBondContact O-CB 3.35Å; K512-E516 WeakPolarHBondContact O-CG 3.39Å; K512-E516 PolarHBondContact O-N 3.02Å
513	F	96.8	Very high	96.4	Very high	39 Å²	39	57.3 Å²	57.3	17%	0.171	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-32.2	179.4	-88.8	-109.9	0	0	0	112.8	V472 M473 G475 A478 I509 I510 K511 G517	V472-F513 HydrophobicContact CG1-CE1 3.89Å; V472-F513 HydrophobicContact CG1-CZ 4.25Å; M473-F513 HydrophobicContact CG-CE1 4.12Å; M473-F513 WeakPolarHBondContact O-CD1 2.91Å; G475-F513 VanDerWaalsContact CA-CB 3.46Å; A478-F513 HydrophobicContact CB-CD1 4.24Å; A478-F513 HydrophobicContact CB-CD2 4.32Å; A478-F513 HydrophobicContact CB-CE1 3.69Å; A478-F513 HydrophobicContact CB-CE2 3.78Å; A478-F513 HydrophobicContact CB-CZ 3.43Å; A478-F513 VanDerWaalsContact CB-CZ 3.43Å; I509-F513 HydrophobicContact CG2-CD2 3.89Å; I509-F513 HydrophobicContact CG2-CE2 3.92Å; I509-F513 VanDerWaalsContact O-CD2 3.28Å; I509-F513 WeakPolarHBondContact O-CD2 3.35Å; I509-F513 PolarHBondContact O-N 3.31Å; I510-F513 PolarHBondContact O-N 3.17Å; K511-F513 VanDerWaalsContact C-N 3.35Å; K511-F513 PolarHBondContact O-N 3.02Å; F513-G517 WeakPolarHBondContact O-CA 3.49Å; F513-G517 PolarHBondContact O-N 2.86Å
514	E	95.1	Very high	96.8	Very high	92 Å²	92	54.7 Å²	54.7	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-68.9	-42.3	173.7	-179.8	56.1	-155.2	0	0	111.6	R469 I510 K511 K512 N518	R469-E514 IonicContact CZ-OE1 2.63Å; R469-E514 IonicContact NE-OE1 2.73Å; R469-E514 PolarHBondContact NE-OE1 3.24Å; R469-E514 IonicContact NE-OE2 2.8Å; R469-E514 PolarHBondContact NE-OE2 3.45Å; R469-E514 IonicContact NH2-OE1 2.85Å; R469-E514 PolarHBondContact NH2-OE1 3.43Å; I510-E514 PolarHBondContact O-N 3.1Å; K511-E514 PolarHBondContact O-N 3.13Å; K512-E514 VanDerWaalsContact C-N 3.33Å; K512-E514 PolarHBondContact O-N 3.2Å; E514-N518 PolarHBondContact O-N 3.39Å
515	E	96.6	Very high	97	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-53	175.9	-72.5	173.1	-179.8	0	0	111.9	K511 K512 G517 N518 Y521	K511-E515 WeakPolarHBondContact CE-OE1 3.41Å; K511-E515 WeakPolarHBondContact O-CG 3.29Å; K511-E515 PolarHBondContact O-N 3.28Å; K512-E515 PolarHBondContact O-N 2.93Å; E515-G517 VanDerWaalsContact C-N 3.27Å; E515-G517 PolarHBondContact O-N 3.37Å; E515-N518 VanDerWaalsContact O-CB 3.27Å; E515-N518 WeakPolarHBondContact O-CB 3.48Å; E515-N518 PolarHBondContact O-N 2.64Å; E515-Y521 WeakPolarHBondContact O-CB 3.3Å
516	E	97.5	Very high	97.2	Very high	65 Å²	65	51.2 Å²	51.2	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-71.1	-24.6	-178.4	-66.3	-177.2	165.7	0	0	112.7	K512 N518 Y521	K512-E516 WeakPolarHBondContact CE-OE1 3.28Å; K512-E516 WeakPolarHBondContact CE-OE2 3.18Å; K512-E516 HydrophobicContact CG-CG 4.25Å; K512-E516 IonicContact NZ-OE1 3.17Å; K512-E516 WeakPolarHBondContact O-CB 3.35Å; K512-E516 WeakPolarHBondContact O-CG 3.39Å; K512-E516 PolarHBondContact O-N 3.02Å; E516-N518 VanDerWaalsContact C-N 3.34Å; E516-Y521 HydrophobicContact CB-CD1 4.26Å; E516-Y521 HydrophobicContact CB-CE1 4.03Å; E516-Y521 HydrophobicContact CG-CE1 4.1Å; E516-Y521 HydrophobicContact CG-CE2 4.04Å; E516-Y521 WeakPolarHBondContact O-CD1 3.47Å
517	G	97.4	Very high	97.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.7	177.2	0	0	0	0	0	114.6	R469 I470 F513 E515	R469-G517 VanDerWaalsContact CA-O 3.26Å; R469-G517 WeakPolarHBondContact CA-O 3.37Å; R469-G517 VanDerWaalsContact CD-O 3.26Å; R469-G517 WeakPolarHBondContact CD-O 3.28Å; I470-G517 PolarHBondContact N-O 2.8Å; I470-G517 VanDerWaalsContact O-CA 3.24Å; I470-G517 WeakPolarHBondContact O-CA 3.36Å; F513-G517 WeakPolarHBondContact O-CA 3.49Å; F513-G517 PolarHBondContact O-N 2.86Å; E515-G517 VanDerWaalsContact C-N 3.27Å; E515-G517 PolarHBondContact O-N 3.37Å
518	N	98	Very high	97.6	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.214	22%	0.215	C	C	.	.	S	Bend	trans	-66.7	142.2	-175.6	-170.2	-72.9	0	0	0	112.3	E514 E515 E516 Y520 Y521 S522	E514-N518 PolarHBondContact O-N 3.39Å; E515-N518 VanDerWaalsContact O-CB 3.27Å; E515-N518 WeakPolarHBondContact O-CB 3.48Å; E515-N518 PolarHBondContact O-N 2.64Å; E516-N518 VanDerWaalsContact C-N 3.34Å; N518-Y520 PolarHBondContact O-N 2.92Å; N518-Y520 VanDerWaalsContact O-N 3.16Å; N518-Y520 WeakPolarHBondContact OD1-CB 3.23Å; N518-Y520 WeakPolarHBondContact OD1-CD2 3.28Å; N518-Y520 PolarHBondContact OD1-N 2.93Å; N518-Y521 WeakPolarHBondContact O-CB 3.29Å; N518-Y521 PolarHBondContact O-N 3.07Å; N518-S522 PolarHBondContact O-N 2.96Å; N518-S522 VanDerWaalsContact O-N 3.14Å
519	P	98.4	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.7	-34.3	178.6	-28.8	38	0	0	0	113.9	I464 W465 A468 S522 S523 I531	I464-P519 HydrophobicContact CD1-CB 4.06Å; I464-P519 HydrophobicContact CD1-CG 4.11Å; I464-P519 HydrophobicContact CG1-CB 4.2Å; I464-P519 HydrophobicContact CG1-CG 4.29Å; I464-P519 HydrophobicContact CG2-CB 4.25Å; W465-P519 WeakPolarHBondContact O-CG 3.04Å; A468-P519 WeakPolarHBondContact O-CD 3.34Å; A468-P519 WeakPolarHBondContact O-CG 3.28Å; P519-S522 PolarHBondContact O-N 3.41Å; P519-S523 VanDerWaalsContact O-CB 3.29Å; P519-S523 WeakPolarHBondContact O-CB 3.36Å; P519-S523 PolarHBondContact O-N 3.39Å; P519-I531 HydrophobicContact CB-CD1 3.87Å; P519-I531 HydrophobicContact CB-CG1 4.11Å
520	Y	98.5	Very high	97.8	Very high	14 Å²	14	42.1 Å²	42.1	6%	0.055	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-34.8	177.2	-60.7	-69.8	0	0	0	112.2	L56 R59 F103 N518 A524 I531	L56-Y520 WeakPolarHBondContact CA-OH 3.33Å; L56-Y520 HydrophobicContact CD1-CE1 4.35Å; L56-Y520 PolarHBondContact N-OH 3.49Å; R59-Y520 VanDerWaalsContact NH1-CG 3.27Å; F103-Y520 AromaticContact CD1-CD1 3.64Å; F103-Y520 HydrophobicContact CD1-CD1 3.64Å; F103-Y520 HydrophobicContact CD1-CE1 4.1Å; F103-Y520 AromaticContact CE1-CD1 3.5Å; F103-Y520 HydrophobicContact CE1-CD1 3.5Å; F103-Y520 AromaticContact CE1-CE1 3.49Å; F103-Y520 HydrophobicContact CE1-CE1 3.49Å; F103-Y520 VanDerWaalsContact CE1-CE1 3.49Å; F103-Y520 HydrophobicContact CE2-CD1 4.45Å; F103-Y520 HydrophobicContact CE2-CE1 4.13Å; F103-Y520 HydrophobicContact CG-CD1 4.18Å; F103-Y520 AromaticContact CZ-CD1 3.96Å; F103-Y520 HydrophobicContact CZ-CD1 3.96Å; F103-Y520 AromaticContact CZ-CE1 3.52Å; F103-Y520 HydrophobicContact CZ-CE1 3.52Å; N518-Y520 PolarHBondContact O-N 2.92Å; N518-Y520 VanDerWaalsContact O-N 3.16Å; N518-Y520 WeakPolarHBondContact OD1-CB 3.23Å; N518-Y520 WeakPolarHBondContact OD1-CD2 3.28Å; N518-Y520 PolarHBondContact OD1-N 2.93Å; Y520-A524 WeakPolarHBondContact O-CB 3.33Å; Y520-A524 PolarHBondContact O-N 3.33Å; Y520-I531 HydrophobicContact CD1-CD1 3.33Å; Y520-I531 HydrophobicContact CE1-CD1 3.49Å; Y520-I531 VanDerWaalsContact CE1-CD1 3.49Å; Y520-I531 HydrophobicContact CG-CD1 4Å
521	Y	98.6	Very high	98	Very high	69 Å²	69	39.3 Å²	39.3	27%	0.271	17%	0.174	S	C	.	.	H	α-helix	trans	-67.1	-41.8	175.2	-170.6	-85.5	0	0	0	111.5	E515 E516 N518 R525 W527	E515-Y521 WeakPolarHBondContact O-CB 3.3Å; E516-Y521 HydrophobicContact CB-CD1 4.26Å; E516-Y521 HydrophobicContact CB-CE1 4.03Å; E516-Y521 HydrophobicContact CG-CE1 4.1Å; E516-Y521 HydrophobicContact CG-CE2 4.04Å; E516-Y521 WeakPolarHBondContact O-CD1 3.47Å; N518-Y521 WeakPolarHBondContact O-CB 3.29Å; N518-Y521 PolarHBondContact O-N 3.07Å; Y521-R525 VanDerWaalsContact CE1-CZ 3.44Å; Y521-R525 VanDerWaalsContact CE1-NE 3.33Å; Y521-R525 VanDerWaalsContact CZ-NE 3.34Å; Y521-R525 WeakPolarHBondContact O-CD 3.35Å; Y521-R525 PolarHBondContact O-NH1 3.12Å; Y521-R525 PolarHBondContact OH-NE 3.31Å; Y521-R525 PolarHBondContact OH-NH2 3.24Å; Y521-W527 HydrophobicContact CD1-CH2 4Å; Y521-W527 HydrophobicContact CD1-CZ3 4.12Å; Y521-W527 AromaticContact CE1-CH2 3.75Å; Y521-W527 HydrophobicContact CE1-CH2 3.75Å; Y521-W527 HydrophobicContact CE1-CZ2 4.37Å; Y521-W527 HydrophobicContact CE1-CZ3 4.33Å
522	S	98.6	Very high	98.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-53	175.9	174.9	0	0	0	0	112.2	N518 P519 A524 R525 V526 W527 D528	N518-S522 PolarHBondContact O-N 2.96Å; N518-S522 VanDerWaalsContact O-N 3.14Å; P519-S522 PolarHBondContact O-N 3.41Å; S522-A524 VanDerWaalsContact C-N 3.34Å; S522-A524 PolarHBondContact O-N 2.92Å; S522-R525 CarbonylContact O-C 3.59Å; S522-R525 WeakPolarHBondContact O-CA 3.46Å; S522-R525 PolarHBondContact O-N 2.68Å; S522-V526 PolarHBondContact O-N 3.19Å; S522-W527 PolarHBondContact O-N 3.27Å; S522-W527 WeakPolarHBondContact OG-CB 3.47Å; S522-D528 WeakPolarHBondContact CB-OD2 3.46Å; S522-D528 PolarHBondContact OG-OD2 3.42Å
523	S	98.7	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.9	-31.3	-175	-153.2	0	0	0	0	111.9	P519 R525 V526 D528	P519-S523 VanDerWaalsContact O-CB 3.29Å; P519-S523 WeakPolarHBondContact O-CB 3.36Å; P519-S523 PolarHBondContact O-N 3.39Å; S523-R525 PolarHBondContact O-N 3.43Å; S523-V526 PolarHBondContact O-N 3.4Å; S523-V526 VanDerWaalsContact O-N 3.13Å; S523-D528 WeakPolarHBondContact CA-OD2 3.48Å; S523-D528 WeakPolarHBondContact CB-OD1 3.39Å; S523-D528 PolarHBondContact N-OD2 3.33Å; S523-D528 VanDerWaalsContact N-OD2 3.14Å; S523-D528 PolarHBondContact OG-OD1 3.21Å
524	A	98.7	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.3	-29.6	168.6	0	0	0	0	0	113.8	F103 G105 Y106 V148 Y520 S522	F103-A524 WeakPolarHBondContact O-CA 3.39Å; G105-A524 PolarHBondContact N-O 3.39Å; Y106-A524 WeakPolarHBondContact O-CB 3.25Å; V148-A524 WeakPolarHBondContact CG2-O 3.48Å; Y520-A524 WeakPolarHBondContact O-CB 3.33Å; Y520-A524 PolarHBondContact O-N 3.33Å; S522-A524 VanDerWaalsContact C-N 3.34Å; S522-A524 PolarHBondContact O-N 2.92Å
525	R	98.6	Very high	98.4	Very high	52 Å²	52	24.2 Å²	24.2	20%	0.196	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	6.2	-178.1	-68.9	165.5	178.2	67.4	4.5	113.1	L108 K151 Y521 S522 S523 W527	L108-R525 HydrophobicContact CD1-CG 4.02Å; K151-R525 VanDerWaalsContact CE-O 3.3Å; K151-R525 WeakPolarHBondContact CE-O 3.42Å; K151-R525 PolarHBondContact NZ-O 2.9Å; Y521-R525 VanDerWaalsContact CE1-CZ 3.44Å; Y521-R525 VanDerWaalsContact CE1-NE 3.33Å; Y521-R525 VanDerWaalsContact CZ-NE 3.34Å; Y521-R525 WeakPolarHBondContact O-CD 3.35Å; Y521-R525 PolarHBondContact O-NH1 3.12Å; Y521-R525 PolarHBondContact OH-NE 3.31Å; Y521-R525 PolarHBondContact OH-NH2 3.24Å; S522-R525 CarbonylContact O-C 3.59Å; S522-R525 WeakPolarHBondContact O-CA 3.46Å; S522-R525 PolarHBondContact O-N 2.68Å; S523-R525 PolarHBondContact O-N 3.43Å; R525-W527 HydrophobicContact CB-CD2 4.31Å; R525-W527 HydrophobicContact CB-CG 4.27Å; R525-W527 HydrophobicContact CB-CZ2 4.48Å; R525-W527 PolarHBondContact O-N 2.99Å
526	V	98.7	Very high	98.5	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.018	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	34.7	178	-164	0	0	0	0	111.8	A104 V148 K151 K152 R155 R455 S522 S523 D528	A104-V526 HydrophobicContact CB-CG2 4.06Å; V148-V526 HydrophobicContact CG2-CG2 3.98Å; K151-V526 HydrophobicContact CD-CB 4.26Å; K151-V526 HydrophobicContact CG-CB 4.38Å; K152-V526 HydrophobicContact CB-CG2 4.39Å; R155-V526 HydrophobicContact CB-CG1 4.1Å; R155-V526 HydrophobicContact CG-CG1 4.17Å; R455-V526 PolarHBondContact NH2-O 2.86Å; R455-V526 VanDerWaalsContact NH2-O 3.1Å; S522-V526 PolarHBondContact O-N 3.19Å; S523-V526 PolarHBondContact O-N 3.4Å; S523-V526 VanDerWaalsContact O-N 3.13Å; V526-D528 VanDerWaalsContact C-N 3.28Å; V526-D528 CarbonylContact C-O 3.6Å
527	W	98.7	Very high	98.6	Very high	88 Å²	88	19.8 Å²	19.8	33%	0.333	10%	0.095	S	C	.	.	S	Bend	trans	-75	-26.5	169.8	-63.3	-8	0	0	0	111.4	R455 I470 Y521 S522 R525	R455-W527 WeakPolarHBondContact CD-O 3.24Å; R455-W527 VanDerWaalsContact CG-O 3.31Å; R455-W527 WeakPolarHBondContact CG-O 3.38Å; R455-W527 PolarHBondContact NE-O 3.47Å; I470-W527 HydrophobicContact CG2-CE3 4.39Å; Y521-W527 HydrophobicContact CD1-CH2 4Å; Y521-W527 HydrophobicContact CD1-CZ3 4.12Å; Y521-W527 AromaticContact CE1-CH2 3.75Å; Y521-W527 HydrophobicContact CE1-CH2 3.75Å; Y521-W527 HydrophobicContact CE1-CZ2 4.37Å; Y521-W527 HydrophobicContact CE1-CZ3 4.33Å; S522-W527 PolarHBondContact O-N 3.27Å; S522-W527 WeakPolarHBondContact OG-CB 3.47Å; R525-W527 HydrophobicContact CB-CD2 4.31Å; R525-W527 HydrophobicContact CB-CG 4.27Å; R525-W527 HydrophobicContact CB-CZ2 4.48Å; R525-W527 PolarHBondContact O-N 2.99Å
528	D	98.8	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-119.9	165.5	168.1	57.6	82.8	0	0	0	110.8	S101 L462 I464 S522 S523 V526 G530	S101-D528 PolarHBondContact OG-O 2.95Å; L462-D528 HydrophobicContact CD2-CB 3.49Å; L462-D528 VanDerWaalsContact CD2-CB 3.49Å; I464-D528 HydrophobicContact CB-CB 4.44Å; I464-D528 HydrophobicContact CG2-CB 4.05Å; S522-D528 WeakPolarHBondContact CB-OD2 3.46Å; S522-D528 PolarHBondContact OG-OD2 3.42Å; S523-D528 WeakPolarHBondContact CA-OD2 3.48Å; S523-D528 WeakPolarHBondContact CB-OD1 3.39Å; S523-D528 PolarHBondContact N-OD2 3.33Å; S523-D528 VanDerWaalsContact N-OD2 3.14Å; S523-D528 PolarHBondContact OG-OD1 3.21Å; V526-D528 VanDerWaalsContact C-N 3.28Å; V526-D528 CarbonylContact C-O 3.6Å; D528-G530 VanDerWaalsContact C-N 3.32Å; D528-G530 WeakPolarHBondContact OD1-CA 3.41Å; D528-G530 PolarHBondContact OD1-N 2.78Å; D528-G530 VanDerWaalsContact OD1-N 3.1Å
529	D	98.9	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-93	6.8	178.4	-58	-41	0	0	0	111.6	L100 S101 R155 R455 F461 L462 Y463	L100-D529 CarbonylContact C-O 3.52Å; L100-D529 WeakPolarHBondContact CA-O 3.26Å; L100-D529 HydrophobicContact CD2-CB 4.19Å; S101-D529 PolarHBondContact N-O 3.37Å; R155-D529 IonicContact CZ-OD1 3.4Å; R155-D529 IonicContact CZ-OD2 3.52Å; R155-D529 IonicContact NE-OD1 3.21Å; R155-D529 PolarHBondContact NE-OD1 2.92Å; R155-D529 IonicContact NE-OD2 2.68Å; R155-D529 IonicContact NH2-OD1 2.87Å; R155-D529 IonicContact NH2-OD2 2.82Å; R155-D529 PolarHBondContact NH2-OD2 2.92Å; R455-D529 IonicContact CZ-OD1 2.8Å; R455-D529 VanDerWaalsContact NH1-CG 3.28Å; R455-D529 IonicContact NH1-OD1 2.79Å; R455-D529 PolarHBondContact NH1-OD1 3.34Å; R455-D529 IonicContact NH1-OD2 3.58Å; R455-D529 PolarHBondContact NH1-OD2 2.79Å; R455-D529 VanDerWaalsContact NH1-OD2 3.08Å; R455-D529 IonicContact NH2-OD1 3.79Å; R455-D529 PolarHBondContact NH2-OD1 3.48Å; F461-D529 WeakPolarHBondContact CA-OD2 3.42Å; L462-D529 PolarHBondContact N-OD2 2.74Å; L462-D529 WeakPolarHBondContact O-CB 3.47Å; L462-D529 PolarHBondContact O-N 2.73Å; Y463-D529 HydrophobicContact CD1-CB 4.42Å; Y463-D529 HydrophobicContact CE1-CB 4.11Å
530	G	98.4	Very high	98.7	Very high	6 Å²	6	23.4 Å²	23.4	6%	0.062	11%	0.113	C	C	.	.			trans	147.7	148	174.4	0	0	0	0	0	113.8	I464 D528	I464-G530 PolarHBondContact N-O 2.76Å; I464-G530 VanDerWaalsContact N-O 3.17Å; D528-G530 VanDerWaalsContact C-N 3.32Å; D528-G530 WeakPolarHBondContact OD1-CA 3.41Å; D528-G530 PolarHBondContact OD1-N 2.78Å; D528-G530 VanDerWaalsContact OD1-N 3.1Å
531	I	98.9	Very high	98.7	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-81.9	127	165.1	-48.2	171.8	0	0	0	107.5	L56 F103 I464 P466 P519 Y520	L56-I531 HydrophobicContact CD1-CB 3.93Å; L56-I531 HydrophobicContact CD1-CG2 3.9Å; L56-I531 HydrophobicContact CD2-CG2 4.01Å; F103-I531 HydrophobicContact CD2-CD1 3.87Å; F103-I531 HydrophobicContact CD2-CG1 4.25Å; F103-I531 HydrophobicContact CE2-CD1 4.11Å; F103-I531 HydrophobicContact CG-CD1 4.27Å; I464-I531 HydrophobicContact CG2-CB 4.31Å; I464-I531 HydrophobicContact CG2-CG1 3.84Å; I464-I531 CarbonylContact O-C 3.6Å; I464-I531 VanDerWaalsContact O-CA 3.24Å; I464-I531 WeakPolarHBondContact O-CA 3.37Å; P466-I531 HydrophobicContact CB-CG2 4.11Å; P519-I531 HydrophobicContact CB-CD1 3.87Å; P519-I531 HydrophobicContact CB-CG1 4.11Å; Y520-I531 HydrophobicContact CD1-CD1 3.33Å; Y520-I531 HydrophobicContact CE1-CD1 3.49Å; Y520-I531 VanDerWaalsContact CE1-CD1 3.49Å; Y520-I531 HydrophobicContact CG-CD1 4Å
532	I	98.8	Very high	98.7	Very high	19 Å²	19	19.8 Å²	19.8	10%	0.097	10%	0.1	C	C	.	.			trans	-118.5	148.8	-179.3	68.8	174.5	0	0	0	111.3	L439 Y463 I464 P466 V540	L439-I532 HydrophobicContact CD1-CD1 3.69Å; L439-I532 HydrophobicContact CD1-CG1 4.18Å; Y463-I532 HydrophobicContact CD1-CG2 3.94Å; Y463-I532 HydrophobicContact CG-CD1 4.41Å; Y463-I532 HydrophobicContact CG-CG2 4.3Å; I464-I532 PolarHBondContact O-N 2.83Å; P466-I532 WeakPolarHBondContact CD-O 3.44Å; I532-V540 HydrophobicContact CD1-CB 4.22Å; I532-V540 HydrophobicContact CD1-CG1 4.15Å; I532-V540 HydrophobicContact CD1-CG2 4.34Å; I532-V540 HydrophobicContact CG2-CG1 4.41Å; I532-V540 HydrophobicContact CG2-CG2 4.23Å
533	D	98.7	Very high	98.7	Very high	14 Å²	14	21.6 Å²	21.6	8%	0.075	11%	0.109	C	C	.	.			trans	-61.4	130.2	166.8	-172.4	-35.5	0	0	0	109	V53 H57 Y318 A535 D536	V53-D533 WeakPolarHBondContact CG1-OD2 3.46Å; H57-D533 IonicContact CE1-OD2 3.33Å; H57-D533 IonicContact NE2-OD2 3.08Å; Y318-D533 WeakPolarHBondContact CE1-OD1 3.34Å; Y318-D533 PolarHBondContact OH-OD1 3.48Å; Y318-D533 PolarHBondContact OH-OD2 3.04Å; D533-A535 PolarHBondContact O-N 3.45Å; D533-A535 WeakPolarHBondContact OD1-CB 3.49Å; D533-A535 PolarHBondContact OD1-N 2.95Å; D533-D536 HydrophobicContact CB-CB 4.22Å; D533-D536 PolarHBondContact O-N 2.82Å
534	P	98.8	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-49	-38.2	173.6	-28.1	34.3	0	0	0	114.1	M49 L317 Y318 W465 D536 T537	M49-P534 HydrophobicContact CE-CG 4.15Å; M49-P534 HydrophobicContact CG-CG 4.33Å; M49-P534 HydrophobicContact SD-CG 3.96Å; L317-P534 HydrophobicContact CB-CB 4.19Å; L317-P534 HydrophobicContact CD1-CB 4.49Å; L317-P534 VanDerWaalsContact CD1-O 3.22Å; L317-P534 WeakPolarHBondContact CD1-O 3.36Å; Y318-P534 HydrophobicContact CD1-CB 4.09Å; Y318-P534 HydrophobicContact CD1-CG 4.24Å; Y318-P534 HydrophobicContact CE1-CB 3.93Å; Y318-P534 HydrophobicContact CE1-CG 4.11Å; W465-P534 HydrophobicContact CD2-CB 3.93Å; W465-P534 HydrophobicContact CD2-CG 3.78Å; W465-P534 HydrophobicContact CE3-CB 4.15Å; W465-P534 HydrophobicContact CE3-CG 4.01Å; W465-P534 HydrophobicContact CG-CG 4.03Å; W465-P534 HydrophobicContact CH2-CB 4.01Å; W465-P534 HydrophobicContact CZ2-CB 3.77Å; W465-P534 HydrophobicContact CZ3-CB 4.16Å; W465-P534 HydrophobicContact CZ3-CG 4.45Å; P534-D536 VanDerWaalsContact C-N 3.31Å; P534-D536 PolarHBondContact O-N 3.18Å; P534-T537 WeakPolarHBondContact O-CB 3.36Å; P534-T537 PolarHBondContact O-N 2.94Å; P534-T537 PolarHBondContact O-OG1 3.3Å
535	A	98.5	Very high	98.7	Very high	24 Å²	24	21.6 Å²	21.6	20%	0.198	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-68.4	-27.7	179.8	0	0	0	0	0	113.1	A314 Y318 D533 T537	A314-A535 HydrophobicContact CB-CB 4.25Å; A314-A535 WeakPolarHBondContact CB-O 3.15Å; Y318-A535 HydrophobicContact CE1-CB 4.15Å; Y318-A535 WeakPolarHBondContact OH-CB 3.48Å; D533-A535 PolarHBondContact O-N 3.45Å; D533-A535 WeakPolarHBondContact OD1-CB 3.49Å; D533-A535 PolarHBondContact OD1-N 2.95Å; A535-T537 VanDerWaalsContact C-N 3.28Å; A535-T537 PolarHBondContact O-N 3.35Å
536	D	98.5	Very high	98.7	Very high	79 Å²	79	19.4 Å²	19.4	42%	0.422	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-82.3	-5.8	178.3	-72.3	-27.4	0	0	0	113.2	D533 P534 R538 L539 V540	D533-D536 HydrophobicContact CB-CB 4.22Å; D533-D536 PolarHBondContact O-N 2.82Å; P534-D536 VanDerWaalsContact C-N 3.31Å; P534-D536 PolarHBondContact O-N 3.18Å; D536-R538 VanDerWaalsContact C-N 3.29Å; D536-R538 PolarHBondContact O-N 3.24Å; D536-L539 PolarHBondContact O-N 2.96Å; D536-L539 VanDerWaalsContact O-N 3.07Å; D536-V540 HydrophobicContact CB-CG2 4.36Å; D536-V540 WeakPolarHBondContact O-CG2 3.39Å; D536-V540 PolarHBondContact O-N 3Å
537	T	98.8	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-49.5	-48.3	-174.4	-65.1	0	0	0	0	112.5	I338 L439 W465 P534 A535 L539 V540 L541	I338-T537 HydrophobicContact CG2-CG2 3.86Å; L439-T537 HydrophobicContact CD2-CG2 3.37Å; W465-T537 WeakPolarHBondContact CZ2-OG1 3.34Å; W465-T537 PolarHBondContact NE1-OG1 3.15Å; P534-T537 WeakPolarHBondContact O-CB 3.36Å; P534-T537 PolarHBondContact O-N 2.94Å; P534-T537 PolarHBondContact O-OG1 3.3Å; A535-T537 VanDerWaalsContact C-N 3.28Å; A535-T537 PolarHBondContact O-N 3.35Å; T537-L539 PolarHBondContact O-N 2.81Å; T537-V540 PolarHBondContact O-N 3.36Å; T537-L541 HydrophobicContact CG2-CD1 3.66Å; T537-L541 HydrophobicContact CG2-CG 4.14Å; T537-L541 WeakPolarHBondContact O-CB 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.35Å; T537-L541 PolarHBondContact O-N 3.12Å
538	R	98.7	Very high	98.7	Very high	14 Å²	14	15 Å²	15	5%	0.053	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-49.8	-178.8	175.8	173.1	169.1	80.8	0.6	111.3	E308 E309 I338 D340 I362 F363 D536 L541 G542	E308-R538 PolarHBondContact O-NH2 3.49Å; E309-R538 IonicContact OE2-NE 3.06Å; E309-R538 PolarHBondContact OE2-NE 3.28Å; E309-R538 IonicContact OE2-NH2 3.3Å; I338-R538 HydrophobicContact CB-CB 4.42Å; I338-R538 PolarHBondContact O-NH1 3.28Å; D340-R538 IonicContact OD1-CZ 3.22Å; D340-R538 IonicContact OD1-NH1 3.47Å; D340-R538 PolarHBondContact OD1-NH1 2.7Å; D340-R538 IonicContact OD1-NH2 2.66Å; D340-R538 PolarHBondContact OD1-NH2 2.9Å; I362-R538 HydrophobicContact CG2-CG 4.41Å; F363-R538 HydrophobicContact CD2-CG 4.43Å; F363-R538 HydrophobicContact CE2-CG 3.72Å; F363-R538 WeakPolarHBondContact CE2-O 3.34Å; F363-R538 HydrophobicContact CZ-CG 4.22Å; D536-R538 VanDerWaalsContact C-N 3.29Å; D536-R538 PolarHBondContact O-N 3.24Å; R538-L541 PolarHBondContact O-N 3.45Å; R538-G542 PolarHBondContact O-N 3.22Å
539	L	98.5	Very high	98.6	Very high	88 Å²	88	15.1 Å²	15.1	46%	0.461	9%	0.086	S	C	.	.	H	α-helix	trans	-61.5	-48.6	-179.8	179.2	60.3	0	0	0	111.2	F363 D536 T537 L541 G542 L543	F363-L539 HydrophobicContact CZ-CD1 4.35Å; D536-L539 PolarHBondContact O-N 2.96Å; D536-L539 VanDerWaalsContact O-N 3.07Å; T537-L539 PolarHBondContact O-N 2.81Å; L539-L541 VanDerWaalsContact C-N 3.35Å; L539-L541 PolarHBondContact O-N 3.28Å; L539-G542 PolarHBondContact O-N 2.84Å; L539-L543 HydrophobicContact CD1-CD1 4.32Å; L539-L543 HydrophobicContact CD1-CG 4.33Å; L539-L543 HydrophobicContact CG-CD1 4.27Å; L539-L543 WeakPolarHBondContact O-CG 3.35Å; L539-L543 PolarHBondContact O-N 2.99Å
540	V	98.9	Very high	98.5	Very high	15 Å²	15	15.7 Å²	15.7	9%	0.091	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-49	177.9	171.5	0	0	0	0	110.6	L98 Y463 I532 D536 T537 G542 L543 S544	L98-V540 HydrophobicContact CD1-CG1 4.14Å; L98-V540 HydrophobicContact CD1-CG2 4.45Å; Y463-V540 HydrophobicContact CD1-CG1 4.33Å; Y463-V540 HydrophobicContact CD2-CG1 3.81Å; Y463-V540 HydrophobicContact CE1-CG1 4.04Å; Y463-V540 HydrophobicContact CE2-CG1 3.47Å; Y463-V540 VanDerWaalsContact CE2-CG1 3.47Å; Y463-V540 HydrophobicContact CG-CG1 4.22Å; I532-V540 HydrophobicContact CD1-CB 4.22Å; I532-V540 HydrophobicContact CD1-CG1 4.15Å; I532-V540 HydrophobicContact CD1-CG2 4.34Å; I532-V540 HydrophobicContact CG2-CG1 4.41Å; I532-V540 HydrophobicContact CG2-CG2 4.23Å; D536-V540 HydrophobicContact CB-CG2 4.36Å; D536-V540 WeakPolarHBondContact O-CG2 3.39Å; D536-V540 PolarHBondContact O-N 3Å; T537-V540 PolarHBondContact O-N 3.36Å; V540-G542 VanDerWaalsContact C-N 3.35Å; V540-G542 PolarHBondContact O-N 3.33Å; V540-L543 PolarHBondContact O-N 3Å; V540-S544 WeakPolarHBondContact O-CB 3.27Å; V540-S544 PolarHBondContact O-N 3.35Å; V540-S544 PolarHBondContact O-OG 3.47Å
541	L	98.9	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-42.5	177.7	-69.4	177	0	0	0	112.1	I338 I362 L399 I437 T537 R538 L539 L543 S544 F545	I338-L541 HydrophobicContact CD1-CD1 4.09Å; I362-L541 HydrophobicContact CD1-CB 4.45Å; I362-L541 HydrophobicContact CD1-CD1 4.03Å; I362-L541 HydrophobicContact CG2-CB 4.47Å; L399-L541 HydrophobicContact CD1-CD1 4.14Å; L399-L541 HydrophobicContact CD1-CD2 3.64Å; L399-L541 HydrophobicContact CD2-CD1 3.74Å; I437-L541 HydrophobicContact CG2-CD2 3.62Å; T537-L541 HydrophobicContact CG2-CD1 3.66Å; T537-L541 HydrophobicContact CG2-CG 4.14Å; T537-L541 WeakPolarHBondContact O-CB 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.35Å; T537-L541 PolarHBondContact O-N 3.12Å; R538-L541 PolarHBondContact O-N 3.45Å; L539-L541 VanDerWaalsContact C-N 3.35Å; L539-L541 PolarHBondContact O-N 3.28Å; L541-L543 PolarHBondContact O-N 3.39Å; L541-S544 PolarHBondContact O-N 3.42Å; L541-F545 HydrophobicContact CB-CD2 4.37Å; L541-F545 HydrophobicContact CB-CE2 4.28Å; L541-F545 WeakPolarHBondContact O-CB 3.31Å; L541-F545 WeakPolarHBondContact O-CD2 3.22Å; L541-F545 PolarHBondContact O-N 2.83Å
542	G	98.6	Very high	98.3	Very high	5 Å²	5	18 Å²	18	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-57.4	-47.4	175.9	0	0	0	0	0	113	R538 L539 V540 S546	R538-G542 PolarHBondContact O-N 3.22Å; L539-G542 PolarHBondContact O-N 2.84Å; V540-G542 VanDerWaalsContact C-N 3.35Å; V540-G542 PolarHBondContact O-N 3.33Å; G542-S546 WeakPolarHBondContact O-CB 3.33Å; G542-S546 PolarHBondContact O-N 2.98Å
543	L	98.8	Very high	98.2	Very high	39 Å²	39	17.9 Å²	17.9	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-43.2	177	-64.3	174.9	0	0	0	111.6	P96 L98 L539 V540 L541 S546 A547	P96-L543 HydrophobicContact CB-CD1 3.96Å; P96-L543 HydrophobicContact CB-CD2 4.23Å; P96-L543 HydrophobicContact CG-CD1 4.18Å; P96-L543 HydrophobicContact CG-CD2 3.52Å; L98-L543 HydrophobicContact CB-CD1 4.36Å; L98-L543 HydrophobicContact CD2-CB 4.11Å; L539-L543 HydrophobicContact CD1-CD1 4.32Å; L539-L543 HydrophobicContact CD1-CG 4.33Å; L539-L543 HydrophobicContact CG-CD1 4.27Å; L539-L543 WeakPolarHBondContact O-CG 3.35Å; L539-L543 PolarHBondContact O-N 2.99Å; V540-L543 PolarHBondContact O-N 3Å; L541-L543 PolarHBondContact O-N 3.39Å; L543-S546 PolarHBondContact O-N 2.85Å; L543-A547 WeakPolarHBondContact O-CB 3.18Å; L543-A547 PolarHBondContact O-N 3.03Å
544	S	98.9	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-41.5	178.1	-60.4	0	0	0	0	112.8	I437 F461 Y463 V540 L541 A547 A548	I437-S544 VanDerWaalsContact CD1-CB 3.46Å; F461-S544 WeakPolarHBondContact CE2-O 3.12Å; Y463-S544 WeakPolarHBondContact CE2-OG 3.29Å; Y463-S544 PolarHBondContact OH-OG 3.47Å; V540-S544 WeakPolarHBondContact O-CB 3.27Å; V540-S544 PolarHBondContact O-N 3.35Å; V540-S544 PolarHBondContact O-OG 3.47Å; L541-S544 PolarHBondContact O-N 3.42Å; S544-A547 PolarHBondContact O-N 2.73Å; S544-A548 VanDerWaalsContact O-CB 3.32Å; S544-A548 WeakPolarHBondContact O-CB 3.24Å; S544-A548 PolarHBondContact O-N 3.33Å
545	F	98.6	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-43.2	175.4	-78.5	-58.8	0	0	0	111.6	I362 Y365 V367 P397 L399 I437 L541 A547 A548 L549	I362-F545 HydrophobicContact CD1-CE2 4.18Å; Y365-F545 HydrophobicContact CD2-CB 4.13Å; Y365-F545 HydrophobicContact CG-CB 4.34Å; V367-F545 HydrophobicContact CB-CZ 4.38Å; V367-F545 HydrophobicContact CG1-CD1 4.39Å; V367-F545 HydrophobicContact CG1-CD2 4.02Å; V367-F545 HydrophobicContact CG1-CE1 3.98Å; V367-F545 HydrophobicContact CG1-CE2 3.58Å; V367-F545 HydrophobicContact CG1-CG 4.43Å; V367-F545 HydrophobicContact CG1-CZ 3.55Å; P397-F545 HydrophobicContact CB-CD1 3.83Å; P397-F545 HydrophobicContact CB-CE1 3.54Å; P397-F545 HydrophobicContact CG-CD1 4.48Å; L399-F545 HydrophobicContact CB-CZ 4.2Å; I437-F545 HydrophobicContact CB-CZ 4.38Å; I437-F545 HydrophobicContact CD1-CD1 3.6Å; I437-F545 HydrophobicContact CD1-CD2 4.08Å; I437-F545 HydrophobicContact CD1-CE1 3.55Å; I437-F545 HydrophobicContact CD1-CE2 4.02Å; I437-F545 HydrophobicContact CD1-CG 3.85Å; I437-F545 HydrophobicContact CD1-CZ 3.77Å; I437-F545 HydrophobicContact CG1-CD1 4.47Å; I437-F545 HydrophobicContact CG1-CE1 4.07Å; I437-F545 HydrophobicContact CG1-CZ 4.33Å; L541-F545 HydrophobicContact CB-CD2 4.37Å; L541-F545 HydrophobicContact CB-CE2 4.28Å; L541-F545 WeakPolarHBondContact O-CB 3.31Å; L541-F545 WeakPolarHBondContact O-CD2 3.22Å; L541-F545 PolarHBondContact O-N 2.83Å; F545-A547 VanDerWaalsContact C-N 3.35Å; F545-A547 PolarHBondContact O-N 2.86Å; F545-A548 PolarHBondContact O-N 3.21Å; F545-L549 WeakPolarHBondContact O-CB 3.41Å; F545-L549 WeakPolarHBondContact O-CD1 3.32Å; F545-L549 VanDerWaalsContact O-CG 3.23Å; F545-L549 WeakPolarHBondContact O-CG 3.3Å; F545-L549 PolarHBondContact O-N 3.44Å
546	S	98.4	Very high	97.9	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-55.1	-53.2	172.3	-179.2	0	0	0	0	110.1	E130 K298 Y365 G542 L543 A548 L549 N550	E130-S546 WeakPolarHBondContact OE1-CB 3.26Å; E130-S546 PolarHBondContact OE1-OG 3.12Å; E130-S546 PolarHBondContact OE2-OG 3.01Å; K298-S546 WeakPolarHBondContact CE-O 3.28Å; K298-S546 PolarHBondContact NZ-O 2.83Å; K298-S546 PolarHBondContact NZ-OG 3.13Å; Y365-S546 WeakPolarHBondContact OH-CB 3.44Å; Y365-S546 PolarHBondContact OH-OG 3.5Å; G542-S546 WeakPolarHBondContact O-CB 3.33Å; G542-S546 PolarHBondContact O-N 2.98Å; L543-S546 PolarHBondContact O-N 2.85Å; S546-A548 VanDerWaalsContact C-N 3.33Å; S546-A548 PolarHBondContact O-N 2.79Å; S546-L549 PolarHBondContact O-N 3.3Å; S546-N550 PolarHBondContact O-ND2 2.96Å
547	A	98.6	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-44.9	-179.9	0	0	0	0	0	112.1	I123 L165 F461 L543 S544 F545 L549 N550	I123-A547 HydrophobicContact CD1-CB 3.87Å; L165-A547 HydrophobicContact CD2-CB 4.49Å; F461-A547 HydrophobicContact CE2-CB 4.39Å; F461-A547 HydrophobicContact CZ-CB 4.1Å; L543-A547 WeakPolarHBondContact O-CB 3.18Å; L543-A547 PolarHBondContact O-N 3.03Å; S544-A547 PolarHBondContact O-N 2.73Å; F545-A547 VanDerWaalsContact C-N 3.35Å; F545-A547 PolarHBondContact O-N 2.86Å; A547-L549 VanDerWaalsContact C-N 3.29Å; A547-L549 PolarHBondContact O-N 3.35Å; A547-N550 PolarHBondContact O-N 3.39Å; A547-N550 PolarHBondContact O-ND2 3.18Å; A547-N550 WeakPolarHBondContact O-CB 3.43Å
548	A	98.4	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-30.8	-178.2	0	0	0	0	0	114	N163 P435 R460 S544 F545 S546 N550 A551	N163-A548 VanDerWaalsContact OD1-CA 3.26Å; N163-A548 WeakPolarHBondContact OD1-CA 3.32Å; N163-A548 WeakPolarHBondContact OD1-CB 3.3Å; P435-A548 HydrophobicContact CB-CB 3.89Å; P435-A548 HydrophobicContact CG-CB 4.28Å; R460-A548 HydrophobicContact CG-CB 4.37Å; S544-A548 VanDerWaalsContact O-CB 3.32Å; S544-A548 WeakPolarHBondContact O-CB 3.24Å; S544-A548 PolarHBondContact O-N 3.33Å; F545-A548 PolarHBondContact O-N 3.21Å; S546-A548 VanDerWaalsContact C-N 3.33Å; S546-A548 PolarHBondContact O-N 2.79Å; A548-N550 PolarHBondContact O-N 3.3Å; A548-A551 PolarHBondContact O-N 3.13Å
549	L	97.5	Very high	97.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.7	178.3	-66.4	169.2	0	0	0	113.8	L300 V302 Y365 P397 F545 S546 A547 A551 I553	L300-L549 HydrophobicContact CD2-CB 3.69Å; L300-L549 HydrophobicContact CD2-CD1 4.44Å; V302-L549 HydrophobicContact CG1-CD2 4.11Å; V302-L549 HydrophobicContact CG2-CD1 3.78Å; V302-L549 HydrophobicContact CG2-CD2 4Å; Y365-L549 HydrophobicContact CD1-CD1 3.29Å; Y365-L549 HydrophobicContact CE1-CD1 3.64Å; Y365-L549 HydrophobicContact CG-CD1 4.11Å; P397-L549 HydrophobicContact CG-CD2 4.27Å; F545-L549 WeakPolarHBondContact O-CB 3.41Å; F545-L549 WeakPolarHBondContact O-CD1 3.32Å; F545-L549 VanDerWaalsContact O-CG 3.23Å; F545-L549 WeakPolarHBondContact O-CG 3.3Å; F545-L549 PolarHBondContact O-N 3.44Å; S546-L549 PolarHBondContact O-N 3.3Å; A547-L549 VanDerWaalsContact C-N 3.29Å; A547-L549 PolarHBondContact O-N 3.35Å; L549-A551 VanDerWaalsContact C-N 3.3Å; L549-I553 HydrophobicContact CD2-CD1 4.16Å
550	N	97.1	Very high	97.8	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.064	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.4	162.5	-74.9	-66.5	0	0	0	112.1	E130 N163 L165 Y296 K298 S546 A547 A548	E130-N550 PolarHBondContact OE2-ND2 3.31Å; E130-N550 PolarHBondContact OE2-OD1 3.28Å; N163-N550 WeakPolarHBondContact O-CB 3.48Å; L165-N550 HydrophobicContact CD2-CB 4.27Å; Y296-N550 WeakPolarHBondContact OH-CB 3.4Å; Y296-N550 VanDerWaalsContact OH-CG 3.3Å; Y296-N550 PolarHBondContact OH-OD1 3.46Å; K298-N550 VanDerWaalsContact CD-OD1 3.22Å; K298-N550 WeakPolarHBondContact CD-OD1 3.49Å; K298-N550 VanDerWaalsContact CE-OD1 3.29Å; K298-N550 WeakPolarHBondContact CE-OD1 3.44Å; K298-N550 WeakPolarHBondContact CG-OD1 3.44Å; S546-N550 PolarHBondContact O-ND2 2.96Å; A547-N550 PolarHBondContact O-N 3.39Å; A547-N550 PolarHBondContact O-ND2 3.18Å; A547-N550 WeakPolarHBondContact O-CB 3.43Å; A548-N550 PolarHBondContact O-N 3.3Å
551	A	96.9	Very high	97.8	Very high	7 Å²	7	40.3 Å²	40.3	6%	0.058	21%	0.212	C	C	.	.	S	Bend	trans	-88.2	141.9	172.1	0	0	0	0	0	110.6	Q162 N163 R164 A548 L549	Q162-A551 WeakPolarHBondContact O-CB 3.43Å; N163-A551 PolarHBondContact O-N 2.6Å; R164-A551 HydrophobicContact CB-CB 4.38Å; R164-A551 HydrophobicContact CG-CB 3.95Å; A548-A551 PolarHBondContact O-N 3.13Å; L549-A551 VanDerWaalsContact C-N 3.3Å
552	P	96	Very high	97.7	Very high	52 Å²	52	48.7 Å²	48.7	34%	0.338	24%	0.244	S	C	.	.			trans	-64.8	148.8	171.6	29.4	-34.2	0	0	0	110.5	D301 E554	D301-P552 WeakPolarHBondContact OD2-CA 3.45Å; P552-E554 PolarHBondContact O-N 3.11Å
553	I	95.8	Very high	97.6	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.092	28%	0.281	C	S	.	.			trans	-80.1	115	176.4	-61.4	-177.9	0	0	0	108.7	D301 V302 N395 V434 P435 L549	D301-I553 HydrophobicContact CB-CB 4.41Å; D301-I553 HydrophobicContact CB-CD1 4.31Å; D301-I553 HydrophobicContact CB-CG1 4.25Å; D301-I553 PolarHBondContact OD2-N 3.18Å; V302-I553 HydrophobicContact CG1-CD1 3.76Å; N395-I553 HydrophobicContact CB-CB 4.39Å; N395-I553 HydrophobicContact CB-CD1 4.04Å; N395-I553 HydrophobicContact CB-CG2 3.91Å; N395-I553 VanDerWaalsContact O-CD1 3.24Å; N395-I553 WeakPolarHBondContact O-CD1 3.4Å; V434-I553 HydrophobicContact CG1-CG2 3.88Å; P435-I553 HydrophobicContact CG-CG1 4.47Å; L549-I553 HydrophobicContact CD2-CD1 4.16Å
554	E	95.2	Very high	97.5	Very high	114 Å²	114	57.5 Å²	57.5	53%	0.533	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-76.1	150.4	178.5	-61.8	-176.2	-175.8	0	0	111.4	Q433 P552 T556	Q433-E554 HydrophobicContact CB-CB 4.03Å; Q433-E554 WeakPolarHBondContact CB-O 3.48Å; Q433-E554 HydrophobicContact CG-CB 4.43Å; P552-E554 PolarHBondContact O-N 3.11Å; E554-T556 PolarHBondContact O-N 3Å
555	K	96.8	Very high	97.5	Very high	154 Å²	154	60.5 Å²	60.5	67%	0.67	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-63.3	133.6	174.2	-176	-171	172.2	-135.5	0	109.4	D557	K555-D557 WeakPolarHBondContact CE-OD1 3.31Å; K555-D557 IonicContact NZ-OD1 3.41Å; K555-D557 PolarHBondContact NZ-OD1 3.49Å; K555-D557 IonicContact NZ-OD2 3.98Å
556	T	98.4	Very high	97.4	Very high	18 Å²	18	63.9 Å²	63.9	11%	0.11	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-86.1	122.4	172.8	-62.7	0	0	0	0	111	C392 C431 Q433 E554 F558	C392-T556 HydrophobicContact CB-CG2 4.09Å; C431-T556 WeakPolarHBondContact O-CG2 3.49Å; Q433-T556 PolarHBondContact N-OG1 2.99Å; E554-T556 PolarHBondContact O-N 3Å; T556-F558 HydrophobicContact CG2-CE2 3.64Å; T556-F558 HydrophobicContact CG2-CZ 3.5Å; T556-F558 HydrophobicContact CG2-CG 4.19Å; T556-F558 HydrophobicContact CG2-CD2 3.99Å; T556-F558 HydrophobicContact CG2-CD1 4.08Å; T556-F558 HydrophobicContact CG2-CE1 3.73Å
557	D	97.9	Very high	97.4	Very high	110 Å²	110	67.3 Å²	67.3	59%	0.588	33%	0.333	S	S	*	.			trans	-110.4	114.1	165.9	-65.3	-52.5	0	0	0	108.9	K555	K555-D557 WeakPolarHBondContact CE-OD1 3.31Å; K555-D557 IonicContact NZ-OD1 3.41Å; K555-D557 PolarHBondContact NZ-OD1 3.49Å; K555-D557 IonicContact NZ-OD2 3.98Å
558	F	98.4	Very high	97.3	Very high	63 Å²	63	71.5 Å²	71.5	28%	0.276	35%	0.354	S	S	.	.			trans	-79.4	145.5	-178.1	-67.9	-76.9	0	0	0	111.9	I388 Q389 C392 A428 C431 T556 F561	I388-F558 HydrophobicContact CG2-CE1 4.43Å; Q389-F558 HydrophobicContact CB-CE2 4.32Å; Q389-F558 HydrophobicContact CB-CZ 4.33Å; Q389-F558 HydrophobicContact CG-CD2 4.45Å; Q389-F558 HydrophobicContact CG-CE1 4.38Å; Q389-F558 HydrophobicContact CG-CE2 3.81Å; Q389-F558 HydrophobicContact CG-CZ 3.77Å; C392-F558 HydrophobicContact CB-CE2 4.31Å; C392-F558 HydrophobicContact CB-CZ 3.93Å; A428-F558 HydrophobicContact CB-CE1 4.11Å; C431-F558 HydrophobicContact CB-CD1 3.69Å; C431-F558 HydrophobicContact CB-CE1 4.3Å; C431-F558 HydrophobicContact CB-CG 4.43Å; T556-F558 HydrophobicContact CG2-CE2 3.64Å; T556-F558 HydrophobicContact CG2-CZ 3.5Å; T556-F558 HydrophobicContact CG2-CG 4.19Å; T556-F558 HydrophobicContact CG2-CD2 3.99Å; T556-F558 HydrophobicContact CG2-CD1 4.08Å; T556-F558 HydrophobicContact CG2-CE1 3.73Å; F558-F561 HydrophobicContact CD2-CE2 4.48Å; F558-F561 HydrophobicContact CG-CZ 3.89Å; F558-F561 AromaticContact CG-CZ 3.89Å; F558-F561 HydrophobicContact CG-CE2 3.88Å; F558-F561 AromaticContact CG-CE2 3.88Å; F558-F561 HydrophobicContact CE1-CZ 4.44Å; F558-F561 HydrophobicContact CD1-CZ 3.76Å; F558-F561 AromaticContact CD1-CZ 3.76Å; F558-F561 HydrophobicContact CD1-CE2 4.24Å; F558-F561 HydrophobicContact CB-CZ 3.98Å; F558-F561 HydrophobicContact CB-CE2 3.61Å
559	G	97.9	Very high	97.2	Very high	36 Å²	36	76.3 Å²	76.3	37%	0.371	38%	0.378	S	S	.	.			trans	-68	177.9	165.5	0	0	0	0	0	112.7	C431 F561	C431-G559 PolarHBondContact SG-N 3.28Å; G559-F561 PolarHBondContact O-N 3.23Å
560	I	98.3	Very high	97.2	Very high	165 Å²	165	81.6 Å²	81.6	85%	0.846	40%	0.404	S	S	*	.			trans	-66.9	121.6	-179.7	-58.9	173.4	0	0	0	110
561	F	98.4	Very high	97.2	Very high	44 Å²	44	86.9 Å²	86.9	19%	0.193	43%	0.43	C	S	.	.			trans	-79.6	130.2	170.4	-69.9	-76.3	0	0	0	110.9	T385 K424 T427 A428 F558 G559 M563	T385-F561 HydrophobicContact CG2-CD1 4.23Å; T385-F561 HydrophobicContact CG2-CE1 3.7Å; T385-F561 HydrophobicContact CG2-CZ 4.31Å; K424-F561 HydrophobicContact CB-CD1 3.96Å; K424-F561 HydrophobicContact CB-CE1 4.48Å; K424-F561 HydrophobicContact CG-CD1 4.16Å; K424-F561 WeakPolarHBondContact O-CE1 3.49Å; T427-F561 HydrophobicContact CG2-CD1 4.24Å; T427-F561 HydrophobicContact CG2-CE1 3.97Å; T427-F561 HydrophobicContact CG2-CZ 4.36Å; A428-F561 HydrophobicContact CB-CE1 4.18Å; A428-F561 HydrophobicContact CB-CZ 4.32Å; F558-F561 HydrophobicContact CD2-CE2 4.48Å; F558-F561 HydrophobicContact CG-CZ 3.89Å; F558-F561 AromaticContact CG-CZ 3.89Å; F558-F561 HydrophobicContact CG-CE2 3.88Å; F558-F561 AromaticContact CG-CE2 3.88Å; F558-F561 HydrophobicContact CE1-CZ 4.44Å; F558-F561 HydrophobicContact CD1-CZ 3.76Å; F558-F561 AromaticContact CD1-CZ 3.76Å; F558-F561 HydrophobicContact CD1-CE2 4.24Å; F558-F561 HydrophobicContact CB-CZ 3.98Å; F558-F561 HydrophobicContact CB-CE2 3.61Å; G559-F561 PolarHBondContact O-N 3.23Å; F561-M563 HydrophobicContact CB-SD 4.12Å; F561-M563 PolarHBondContact O-N 3.49Å
562	R	97.6	Very high	97.2	Very high	178 Å²	178	93.6 Å²	93.6	67%	0.672	46%	0.461	S	S	*	.			trans	-81.4	99.1	172.5	-178.2	176.5	-67.1	-79.9	-2.2	109.7	K420 K424	K420-R562 HydrophobicContact CB-CG 3.94Å; K424-R562 WeakPolarHBondContact CE-O 3.48Å; K424-R562 PolarHBondContact NZ-O 2.74Å
563	M	95.8	Very high	97.3	Very high	171 Å²	171	97.4 Å²	97.4	84%	0.842	47%	0.472	S	S	*	.			trans	-70.3	0	-173.3	-61.7	-58.1	-90.9	0	0	114.1	K420 K424 F561	K420-M563 WeakPolarHBondContact CE-OXT 3.48Å; K420-M563 VanDerWaalsContact NZ-C 3.27Å; K420-M563 PolarHBondContact NZ-O 2.89Å; K420-M563 PolarHBondContact NZ-OXT 3.27Å; K424-M563 PolarHBondContact NZ-OXT 2.99Å; F561-M563 HydrophobicContact CB-SD 4.12Å; F561-M563 PolarHBondContact O-N 3.49Å

Retrieved 563 of 563 residues in 172.6 ms (Link to these results)

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