A0A087Y7K3_POEFO Loading...

Catalase

Catalyzes the degradation of hydrogen peroxide (H(2)O(2)) generated by peroxisomal oxidases to water and oxygen, thereby protecting cells from the toxic effects of hydrogen peroxide.

AlphaFold DB , UniProt , Accession A0A087Y7K3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 528 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	79.6	Confident	229 Å²	229	105.3 Å²	105.3	100%	1.128	54%	0.543	S	S	*	.				0	-26.2	0	-66.1	-167.8	-155.2	0	0	113.7
2	A	55.7	Low	81	Confident	78 Å²	78	107.6 Å²	107.6	65%	0.645	55%	0.553	S	S	*	*			trans	-79.7	-15.2	-177.6	0	0	0	0	0	115.9
3	E	53.8	Low	82.1	Confident	167 Å²	167	105.8 Å²	105.8	78%	0.78	54%	0.539	S	S	*	.	S	Bend	trans	-88.7	-22	-172.8	-69.2	-177.8	162.8	0	0	114.7
4	N	63.7	Low	82.9	Confident	161 Å²	161	103.1 Å²	103.1	86%	0.861	53%	0.525	S	S	*	.	S	Bend	trans	-131.8	77.5	179.8	-73	-24.6	0	0	0	110.1
5	R	89.3	Confident	83.8	Confident	118 Å²	118	105.1 Å²	105.1	45%	0.445	52%	0.523	S	S	.	.			trans	-100.2	166.4	174.4	-58.1	179.9	-59.1	173.7	4.1	109.9	T9 D10	R5-T9 HydrophobicContact CB-CG2 4.18Å; R5-D10 IonicContact CZ-OD1 3.26Å; R5-D10 VanDerWaalsContact CZ-OD1 3.26Å; R5-D10 IonicContact NE-OD1 2.99Å; R5-D10 PolarHBondContact NE-OD1 3.41Å; R5-D10 IonicContact NH2-OD1 2.72Å; R5-D10 PolarHBondContact NH2-OD1 3.18Å
6	D	91.1	Very high	84.6	Confident	101 Å²	101	108.4 Å²	108.4	54%	0.54	53%	0.534	S	S	.	.			trans	-60.4	150.9	175.9	-66.2	-23.8	0	0	0	111.8	T8 T9 D10	D6-T8 VanDerWaalsContact C-N 3.25Å; D6-T8 PolarHBondContact O-N 3.42Å; D6-T9 WeakPolarHBondContact O-CA 3.47Å; D6-T9 WeakPolarHBondContact O-CB 3.24Å; D6-T9 PolarHBondContact O-N 3.27Å; D6-D10 PolarHBondContact O-N 3.34Å
7	K	91.8	Very high	85.2	Confident	86 Å²	86	109.2 Å²	109.2	37%	0.374	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.5	-176.8	-66.6	-64.7	-174.7	-177.3	0	112.9	T9 D10 Q11 I14 F267 N268 A271 N272	K7-T9 VanDerWaalsContact C-N 3.29Å; K7-T9 PolarHBondContact O-N 3.1Å; K7-D10 PolarHBondContact O-N 3.43Å; K7-Q11 PolarHBondContact O-N 3.44Å; K7-I14 HydrophobicContact CD-CD1 3.84Å; K7-F267 HydrophobicContact CB-CE1 4.47Å; K7-N268 PolarHBondContact N-OD1 2.94Å; K7-A271 HydrophobicContact CB-CB 3.62Å; K7-A271 HydrophobicContact CG-CB 3.91Å; K7-N272 WeakPolarHBondContact CG-OD1 3.35Å
8	T	92.1	Very high	85.7	Confident	47 Å²	47	108.2 Å²	108.2	29%	0.288	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-43.7	169.3	46.7	0	0	0	0	112	D6 F267 N268	D6-T8 VanDerWaalsContact C-N 3.25Å; D6-T8 PolarHBondContact O-N 3.42Å; T8-F267 HydrophobicContact CG2-CB 3.66Å; T8-F267 HydrophobicContact CG2-CD1 3.27Å; T8-F267 HydrophobicContact CG2-CE1 4.08Å; T8-F267 HydrophobicContact CG2-CG 3.65Å; T8-N268 WeakPolarHBondContact CG2-OD1 3.38Å; T8-N268 PolarHBondContact N-OD1 3.25Å; T8-N268 PolarHBondContact OG1-ND2 2.93Å; T8-N268 PolarHBondContact OG1-OD1 3.39Å
9	T	94.2	Very high	86.2	Confident	74 Å²	74	104.8 Å²	104.8	45%	0.454	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-31.5	-177.5	-54.2	0	0	0	0	111.8	R5 D6 K7 Q11	R5-T9 HydrophobicContact CB-CG2 4.18Å; D6-T9 WeakPolarHBondContact O-CA 3.47Å; D6-T9 WeakPolarHBondContact O-CB 3.24Å; D6-T9 PolarHBondContact O-N 3.27Å; K7-T9 VanDerWaalsContact C-N 3.29Å; K7-T9 PolarHBondContact O-N 3.1Å; T9-Q11 VanDerWaalsContact C-N 3.32Å
10	D	95.4	Very high	86.5	Confident	12 Å²	12	102.8 Å²	102.8	6%	0.064	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	9.1	179.4	-81.5	-3.4	0	0	0	113.9	R5 D6 K7 M12 K13 I14	R5-D10 IonicContact CZ-OD1 3.26Å; R5-D10 VanDerWaalsContact CZ-OD1 3.26Å; R5-D10 IonicContact NE-OD1 2.99Å; R5-D10 PolarHBondContact NE-OD1 3.41Å; R5-D10 IonicContact NH2-OD1 2.72Å; R5-D10 PolarHBondContact NH2-OD1 3.18Å; D6-D10 PolarHBondContact O-N 3.34Å; K7-D10 PolarHBondContact O-N 3.43Å; D10-M12 PolarHBondContact O-N 3.13Å; D10-K13 HydrophobicContact CB-CB 4.46Å; D10-K13 WeakPolarHBondContact O-CA 3.42Å; D10-K13 WeakPolarHBondContact O-CB 3.29Å; D10-K13 PolarHBondContact O-N 3.08Å; D10-I14 HydrophobicContact CB-CD1 4.21Å; D10-I14 HydrophobicContact CB-CG1 4.4Å; D10-I14 WeakPolarHBondContact O-CG1 3.48Å; D10-I14 PolarHBondContact O-N 3.37Å
11	Q	96.5	Very high	86.8	Confident	85 Å²	85	103.8 Å²	103.8	40%	0.397	55%	0.545	S	S	.	.	H	α-helix	trans	-51.7	-48	-176.3	-172.7	-78.1	-26.4	0	0	113.3	K7 T9 K13 I14 W15	K7-Q11 PolarHBondContact O-N 3.44Å; T9-Q11 VanDerWaalsContact C-N 3.32Å; Q11-K13 VanDerWaalsContact C-N 3.35Å; Q11-K13 PolarHBondContact O-N 3.18Å; Q11-I14 PolarHBondContact O-N 2.98Å; Q11-W15 PolarHBondContact O-N 3.22Å
12	M	96.4	Very high	88.9	Confident	133 Å²	133	99.1 Å²	99.1	66%	0.655	52%	0.52	S	S	*	.	H	α-helix	trans	-68.4	-32.9	179.4	-70.6	-65.8	-70	0	0	113	D10 K16	D10-M12 PolarHBondContact O-N 3.13Å; M12-K16 PolarHBondContact O-N 3.32Å; M12-K16 VanDerWaalsContact O-N 3.08Å
13	K	95.3	Very high	90.7	Very high	85 Å²	85	105.8 Å²	105.8	37%	0.37	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-48.8	174.8	173.7	-176.3	170.5	-172.4	0	109.8	D10 Q11 W15 K16 E17	D10-K13 HydrophobicContact CB-CB 4.46Å; D10-K13 WeakPolarHBondContact O-CA 3.42Å; D10-K13 WeakPolarHBondContact O-CB 3.29Å; D10-K13 PolarHBondContact O-N 3.08Å; Q11-K13 VanDerWaalsContact C-N 3.35Å; Q11-K13 PolarHBondContact O-N 3.18Å; K13-W15 VanDerWaalsContact C-N 3.32Å; K13-W15 PolarHBondContact O-N 3.02Å; K13-K16 PolarHBondContact O-N 2.96Å; K13-E17 WeakPolarHBondContact CE-OE1 3.36Å; K13-E17 HydrophobicContact CG-CG 4.43Å; K13-E17 WeakPolarHBondContact CG-OE1 3.26Å; K13-E17 WeakPolarHBondContact O-CB 3.14Å; K13-E17 WeakPolarHBondContact O-CG 3.44Å; K13-E17 PolarHBondContact O-N 2.61Å
14	I	93.9	Very high	92.8	Very high	68 Å²	68	103.1 Å²	103.1	35%	0.349	53%	0.526	S	S	.	.	H	α-helix	trans	-60.5	-42.4	177.7	-65.4	165.5	0	0	0	110.5	K7 D10 Q11 K16 E17 S18	K7-I14 HydrophobicContact CD-CD1 3.84Å; D10-I14 HydrophobicContact CB-CD1 4.21Å; D10-I14 HydrophobicContact CB-CG1 4.4Å; D10-I14 WeakPolarHBondContact O-CG1 3.48Å; D10-I14 PolarHBondContact O-N 3.37Å; Q11-I14 PolarHBondContact O-N 2.98Å; I14-K16 PolarHBondContact O-N 3.2Å; I14-E17 PolarHBondContact O-N 3.45Å; I14-S18 VanDerWaalsContact O-CB 3.28Å; I14-S18 WeakPolarHBondContact O-CB 3.43Å; I14-S18 PolarHBondContact O-N 2.83Å; I14-S18 PolarHBondContact O-OG 2.68Å
15	W	96.1	Very high	94.3	Very high	132 Å²	132	101.5 Å²	101.5	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-58.1	-50.1	174.9	-179.6	89.3	0	0	0	111.5	Q11 K13 E17 S18 R19	Q11-W15 PolarHBondContact O-N 3.22Å; K13-W15 VanDerWaalsContact C-N 3.32Å; K13-W15 PolarHBondContact O-N 3.02Å; W15-E17 PolarHBondContact O-N 3.38Å; W15-S18 PolarHBondContact O-N 3.15Å; W15-S18 PolarHBondContact O-OG 3.47Å; W15-R19 PolarHBondContact O-N 3.36Å
16	K	96.3	Very high	94.8	Very high	159 Å²	159	101.2 Å²	101.2	69%	0.691	53%	0.528	S	S	*	.	H	α-helix	trans	-60.3	-45.9	178.7	179.2	178.7	177.1	177.3	0	111.9	M12 K13 I14 R19	M12-K16 PolarHBondContact O-N 3.32Å; M12-K16 VanDerWaalsContact O-N 3.08Å; K13-K16 PolarHBondContact O-N 2.96Å; I14-K16 PolarHBondContact O-N 3.2Å; K16-R19 PolarHBondContact O-N 2.95Å
17	E	95.2	Very high	95.1	Very high	121 Å²	121	100.2 Å²	100.2	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-38.1	179.8	-72.3	172.1	175.8	0	0	111.9	K13 I14 W15 R19 G20	K13-E17 WeakPolarHBondContact CE-OE1 3.36Å; K13-E17 HydrophobicContact CG-CG 4.43Å; K13-E17 WeakPolarHBondContact CG-OE1 3.26Å; K13-E17 WeakPolarHBondContact O-CB 3.14Å; K13-E17 WeakPolarHBondContact O-CG 3.44Å; K13-E17 PolarHBondContact O-N 2.61Å; I14-E17 PolarHBondContact O-N 3.45Å; W15-E17 PolarHBondContact O-N 3.38Å; E17-R19 PolarHBondContact O-N 3.04Å; E17-G20 PolarHBondContact O-N 3.29Å
18	S	94.1	Very high	95.4	Very high	92 Å²	92	99.4 Å²	99.4	64%	0.643	53%	0.525	S	S	*	.	H	α-helix	trans	-64.2	-23.2	179.6	74.3	0	0	0	0	114.1	I14 W15 G20	I14-S18 VanDerWaalsContact O-CB 3.28Å; I14-S18 WeakPolarHBondContact O-CB 3.43Å; I14-S18 PolarHBondContact O-N 2.83Å; I14-S18 PolarHBondContact O-OG 2.68Å; W15-S18 PolarHBondContact O-N 3.15Å; W15-S18 PolarHBondContact O-OG 3.47Å; S18-G20 VanDerWaalsContact C-N 3.3Å
19	R	94.6	Very high	95.7	Very high	43 Å²	43	98.1 Å²	98.1	16%	0.162	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.5	175.1	-65.3	-168.1	67.8	-160	5.1	113.5	W15 K16 E17 S21 Q22 R23 D25	W15-R19 PolarHBondContact O-N 3.36Å; K16-R19 PolarHBondContact O-N 2.95Å; E17-R19 PolarHBondContact O-N 3.04Å; R19-S21 PolarHBondContact O-N 3.5Å; R19-Q22 VanDerWaalsContact O-CB 3.31Å; R19-Q22 WeakPolarHBondContact O-CB 3.34Å; R19-Q22 VanDerWaalsContact O-CG 3.26Å; R19-Q22 WeakPolarHBondContact O-CG 3.26Å; R19-Q22 PolarHBondContact O-N 3.09Å; R19-R23 PolarHBondContact NH2-O 3.1Å; R19-R23 VanDerWaalsContact NH2-O 3.14Å; R19-D25 IonicContact CZ-OD2 3.76Å; R19-D25 IonicContact NH2-OD1 3.75Å; R19-D25 IonicContact NH2-OD2 3.11Å; R19-D25 PolarHBondContact NH2-OD2 2.93Å; R19-D25 VanDerWaalsContact NH2-OD2 3.11Å
20	G	92.1	Very high	95.9	Very high	64 Å²	64	98 Å²	98	66%	0.66	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-120.9	177.7	0	0	0	0	0	112.6	E17 S18	E17-G20 PolarHBondContact O-N 3.29Å; S18-G20 VanDerWaalsContact C-N 3.3Å
21	S	93.2	Very high	96.1	Very high	125 Å²	125	100.1 Å²	100.1	87%	0.874	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	9.5	-179.1	58.3	0	0	0	0	114.6	R19 R23	R19-S21 PolarHBondContact O-N 3.5Å; S21-R23 PolarHBondContact O-N 3.36Å
22	Q	95.4	Very high	96.1	Very high	130 Å²	130	98.4 Å²	98.4	61%	0.607	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-61.5	136.7	177.6	-67.8	175.5	-2.9	0	0	110.7	R19	R19-Q22 VanDerWaalsContact O-CB 3.31Å; R19-Q22 WeakPolarHBondContact O-CB 3.34Å; R19-Q22 VanDerWaalsContact O-CG 3.26Å; R19-Q22 WeakPolarHBondContact O-CG 3.26Å; R19-Q22 PolarHBondContact O-N 3.09Å
23	R	94.3	Very high	96.2	Very high	218 Å²	218	98 Å²	98	82%	0.823	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-67.6	147.1	171.5	-67.8	-173.6	179.9	-175	0.6	109.5	R19 S21	R19-R23 PolarHBondContact NH2-O 3.1Å; R19-R23 VanDerWaalsContact NH2-O 3.14Å; S21-R23 PolarHBondContact O-N 3.36Å
24	P	96.9	Very high	96.4	Very high	111 Å²	111	98.8 Å²	98.8	72%	0.721	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-53.9	142.9	170	-23.2	33.5	0	0	0	110.8
25	D	96.9	Very high	96.6	Very high	128 Å²	128	96.8 Å²	96.8	68%	0.684	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-67.3	153.6	175.4	-57.5	-58.9	0	0	0	110	R19 L27	R19-D25 IonicContact CZ-OD2 3.76Å; R19-D25 IonicContact NH2-OD1 3.75Å; R19-D25 IonicContact NH2-OD2 3.11Å; R19-D25 PolarHBondContact NH2-OD2 2.93Å; R19-D25 VanDerWaalsContact NH2-OD2 3.11Å; D25-L27 PolarHBondContact O-N 2.84Å
26	V	98.2	Very high	96.7	Very high	111 Å²	111	94.6 Å²	94.6	67%	0.673	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-70.1	124.9	171.8	179.3	0	0	0	0	108	P34	V26-P34 HydrophobicContact CG1-CB 3.97Å
27	L	98.4	Very high	96.8	Very high	81 Å²	81	91 Å²	91	42%	0.424	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-64.4	134.5	174.9	177.3	69.5	0	0	0	110.1	D25 V35 K38	D25-L27 PolarHBondContact O-N 2.84Å; L27-V35 HydrophobicContact CD2-CB 4.06Å; L27-V35 HydrophobicContact CD2-CG1 4.11Å; L27-V35 HydrophobicContact CD2-CG2 4.46Å; L27-V35 HydrophobicContact CG-CB 4.17Å; L27-V35 HydrophobicContact CG-CG2 4.32Å; L27-V35 PolarHBondContact O-N 3.24Å; L27-K38 HydrophobicContact CD2-CB 3.74Å; L27-K38 HydrophobicContact CD2-CD 3.58Å; L27-K38 HydrophobicContact CD2-CG 3.8Å
28	T	98.7	Very high	96.9	Very high	68 Å²	68	89.4 Å²	89.4	42%	0.417	56%	0.56	S	S	.	*	B	Isolated β-bridge	trans	-126.9	161.3	176.5	66.3	0	0	0	0	112.1	H33	T28-H33 CarbonylContact C-O 3.57Å; T28-H33 WeakPolarHBondContact CA-O 3.18Å; T28-H33 WeakPolarHBondContact CB-O 3.21Å
29	T	98.6	Very high	97.1	Very high	20 Å²	20	92.5 Å²	92.5	12%	0.123	57%	0.568	C	S	.	*			trans	-69.9	172.1	161.9	62.5	0	0	0	0	110.9	G31 G32 H33 V35 V56 D59	T29-G31 PolarHBondContact O-N 2.78Å; T29-G32 PolarHBondContact O-N 3.43Å; T29-H33 PolarHBondContact N-O 3.27Å; T29-H33 WeakPolarHBondContact OG1-CB 3.41Å; T29-H33 PolarHBondContact OG1-N 3.45Å; T29-H33 PolarHBondContact OG1-ND1 3.45Å; T29-V35 HydrophobicContact CG2-CG2 3.91Å; T29-V56 HydrophobicContact CG2-CG2 4.07Å; T29-D59 WeakPolarHBondContact CB-OD2 3.43Å
30	G	97.9	Very high	97.3	Very high	72 Å²	72	95.9 Å²	95.9	74%	0.742	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-26.8	174.3	0	0	0	0	0	113.7	G32 D59	G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 3.18Å; G30-D59 PolarHBondContact N-OD2 2.87Å
31	G	98.3	Very high	97.6	Very high	57 Å²	57	97 Å²	97	59%	0.588	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	2.1	173.2	0	0	0	0	0	115.2	T29	T29-G31 PolarHBondContact O-N 2.78Å
32	G	98.3	Very high	97.8	Very high	49 Å²	49	95 Å²	95	51%	0.505	56%	0.557	S	S	.	*			trans	81.2	11.7	-179.7	0	0	0	0	0	115.1	T29 G30	T29-G32 PolarHBondContact O-N 3.43Å; G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 3.18Å
33	H	98.5	Very high	98	Very high	124 Å²	124	91.3 Å²	91.3	57%	0.574	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-80.7	131	178.5	-54.7	92.3	0	0	0	110.6	T28 T29	T28-H33 CarbonylContact C-O 3.57Å; T28-H33 WeakPolarHBondContact CA-O 3.18Å; T28-H33 WeakPolarHBondContact CB-O 3.21Å; T29-H33 PolarHBondContact N-O 3.27Å; T29-H33 WeakPolarHBondContact OG1-CB 3.41Å; T29-H33 PolarHBondContact OG1-N 3.45Å; T29-H33 PolarHBondContact OG1-ND1 3.45Å
34	P	98.5	Very high	98.2	Very high	102 Å²	102	83.9 Å²	83.9	66%	0.662	53%	0.528	S	S	*	.	B	Isolated β-bridge	trans	-64.9	138.7	179.8	27.6	-34.5	0	0	0	111.7	V26	V26-P34 HydrophobicContact CG1-CB 3.97Å
35	V	98.6	Very high	98.2	Very high	25 Å²	25	80.4 Å²	80.4	15%	0.152	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-101.5	128	-177.7	177.6	0	0	0	0	110.4	L27 T29 K38 V56	L27-V35 HydrophobicContact CD2-CB 4.06Å; L27-V35 HydrophobicContact CD2-CG1 4.11Å; L27-V35 HydrophobicContact CD2-CG2 4.46Å; L27-V35 HydrophobicContact CG-CB 4.17Å; L27-V35 HydrophobicContact CG-CG2 4.32Å; L27-V35 PolarHBondContact O-N 3.24Å; T29-V35 HydrophobicContact CG2-CG2 3.91Å; V35-K38 HydrophobicContact CG1-CB 4.01Å; V35-V56 HydrophobicContact CG1-CG1 3.86Å; V35-V56 HydrophobicContact CG1-CG2 4.37Å; V35-V56 HydrophobicContact CG2-CG1 4.12Å; V35-V56 HydrophobicContact CG2-CG2 4.23Å
36	G	98.3	Very high	98.2	Very high	87 Å²	87	80.9 Å²	80.9	90%	0.897	52%	0.523	S	S	*	.	S	Bend	trans	-80.8	-49.7	178.3	0	0	0	0	0	113.7
37	D	98.3	Very high	98.2	Very high	83 Å²	83	87.5 Å²	87.5	44%	0.444	54%	0.536	S	S	.	.			trans	-138.4	131.2	176.6	-174.1	1.8	0	0	0	109.2	L39 N40	D37-L39 WeakPolarHBondContact OD1-CB 3.28Å; D37-L39 PolarHBondContact OD1-N 2.91Å; D37-N40 PolarHBondContact OD2-ND2 3.2Å
38	K	97.7	Very high	98.2	Very high	87 Å²	87	84.9 Å²	84.9	38%	0.378	53%	0.528	S	S	.	.	S	Bend	trans	-122.7	7.1	-179.9	-163.5	-136.3	176.7	46.5	0	111.8	L27 V35 E60	L27-K38 HydrophobicContact CD2-CB 3.74Å; L27-K38 HydrophobicContact CD2-CD 3.58Å; L27-K38 HydrophobicContact CD2-CG 3.8Å; V35-K38 HydrophobicContact CG1-CB 4.01Å; K38-E60 VanDerWaalsContact CE-CD 3.45Å; K38-E60 WeakPolarHBondContact CE-OE1 3.37Å; K38-E60 WeakPolarHBondContact CE-OE2 3.46Å; K38-E60 IonicContact NZ-OE1 2.64Å; K38-E60 PolarHBondContact NZ-OE1 3.06Å; K38-E60 IonicContact NZ-OE2 2.64Å; K38-E60 PolarHBondContact NZ-OE2 3.29Å
39	L	98.4	Very high	98.2	Very high	158 Å²	158	86.1 Å²	86.1	83%	0.827	54%	0.538	S	S	*	.	S	Bend	trans	-101.5	-15.5	-179.3	-59.9	178.1	0	0	0	111.9	D37	D37-L39 WeakPolarHBondContact OD1-CB 3.28Å; D37-L39 PolarHBondContact OD1-N 2.91Å
40	N	98	Very high	98.1	Very high	114 Å²	114	88.9 Å²	88.9	61%	0.61	55%	0.551	S	S	*	*	S	Bend	trans	-131.5	143.5	-176.9	-58.4	-75.3	0	0	0	111.5	D37	D37-N40 PolarHBondContact OD2-ND2 3.2Å
41	L	98	Very high	98.1	Very high	87 Å²	87	87.8 Å²	87.8	46%	0.455	53%	0.528	S	S	.	.			trans	-79.3	150.9	172.4	-66.5	174	0	0	0	111.4	T43 L50 F57	L41-T43 HydrophobicContact CB-CG2 4.45Å; L41-T43 PolarHBondContact O-N 2.99Å; L41-L50 HydrophobicContact CB-CD1 4.08Å; L41-L50 HydrophobicContact CD1-CD1 4.36Å; L41-L50 HydrophobicContact CD2-CD1 4.13Å; L41-L50 HydrophobicContact CG-CD1 4.42Å; L41-F57 HydrophobicContact CD2-CB 3.8Å; L41-F57 HydrophobicContact CD2-CD1 4.39Å; L41-F57 HydrophobicContact CD2-CD2 3.37Å; L41-F57 HydrophobicContact CD2-CE2 4.01Å; L41-F57 HydrophobicContact CD2-CG 3.58Å
42	Q	98.4	Very high	98.1	Very high	82 Å²	82	91.8 Å²	91.8	38%	0.383	54%	0.541	S	S	.	.			trans	-78.6	116.6	169.9	-165.8	179.6	21.8	0	0	111.1	L51 D54	Q42-L51 HydrophobicContact CG-CD1 4.2Å; Q42-L51 PolarHBondContact O-N 2.96Å; Q42-D54 HydrophobicContact CB-CB 3.93Å; Q42-D54 PolarHBondContact N-OD2 2.86Å
43	T	98.7	Very high	98.1	Very high	54 Å²	54	95.2 Å²	95.2	33%	0.331	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-124	158.3	-177.4	56.6	0	0	0	0	113.1	L41 G45 P49	L41-T43 HydrophobicContact CB-CG2 4.45Å; L41-T43 PolarHBondContact O-N 2.99Å; T43-G45 PolarHBondContact O-N 3.3Å; T43-G45 PolarHBondContact OG1-O 3.02Å; T43-P49 CarbonylContact C-O 3.53Å; T43-P49 WeakPolarHBondContact CA-O 3.46Å; T43-P49 WeakPolarHBondContact CB-O 3.48Å
44	A	98	Very high	98.1	Very high	61 Å²	61	90 Å²	90	50%	0.504	52%	0.52	S	S	.	.	S	Bend	trans	-75.1	72.2	172.9	0	0	0	0	0	111.8	G48 P49 L51	A44-G48 WeakPolarHBondContact O-CA 3.46Å; A44-P49 HydrophobicContact CB-CG 4.37Å; A44-P49 PolarHBondContact N-O 3.2Å; A44-L51 HydrophobicContact CB-CD2 4.19Å
45	G	97.6	Very high	98.1	Very high	39 Å²	39	89.9 Å²	89.9	40%	0.402	52%	0.517	S	S	.	.	S	Bend	trans	85.6	167.8	-173.5	0	0	0	0	0	112.8	T43 R47 G48	T43-G45 PolarHBondContact O-N 3.3Å; T43-G45 PolarHBondContact OG1-O 3.02Å; G45-R47 PolarHBondContact O-N 3.04Å; G45-G48 PolarHBondContact O-N 3.19Å
46	P	97.8	Very high	98.1	Very high	138 Å²	138	90.3 Å²	90.3	90%	0.896	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.8	-165.8	-27.4	35.4	0	0	0	116.8
47	R	97.7	Very high	98.2	Very high	250 Å²	250	89.2 Å²	89.2	94%	0.943	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	18.3	178.2	-61	-176.9	179.9	176.3	-0.4	112.3	G45	G45-R47 PolarHBondContact O-N 3.04Å
48	G	97.4	Very high	98.2	Very high	25 Å²	25	88.5 Å²	88.5	26%	0.258	49%	0.489	S	S	.	.	S	Bend	trans	-85.3	175.1	-179.9	0	0	0	0	0	113.1	A44 G45	A44-G48 WeakPolarHBondContact O-CA 3.46Å; G45-G48 PolarHBondContact O-N 3.19Å
49	P	98.2	Very high	98.2	Very high	95 Å²	95	87.7 Å²	87.7	62%	0.617	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-68.3	158.6	175	29.8	-37.2	0	0	0	112.6	T43 A44	T43-P49 CarbonylContact C-O 3.53Å; T43-P49 WeakPolarHBondContact CA-O 3.46Å; T43-P49 WeakPolarHBondContact CB-O 3.48Å; A44-P49 HydrophobicContact CB-CG 4.37Å; A44-P49 PolarHBondContact N-O 3.2Å
50	L	98.4	Very high	98.2	Very high	77 Å²	77	84.2 Å²	84.2	40%	0.403	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-58.5	145	168.2	171	66.5	0	0	0	111	L41 D54 F57	L41-L50 HydrophobicContact CB-CD1 4.08Å; L41-L50 HydrophobicContact CD1-CD1 4.36Å; L41-L50 HydrophobicContact CD2-CD1 4.13Å; L41-L50 HydrophobicContact CG-CD1 4.42Å; L50-D54 HydrophobicContact CD1-CB 4.08Å; L50-F57 HydrophobicContact CD2-CD1 4.11Å; L50-F57 HydrophobicContact CD2-CE1 3.83Å; L50-F57 HydrophobicContact CD2-CZ 4.49Å
51	L	97.7	Very high	98.3	Very high	50 Å²	50	82.3 Å²	82.3	26%	0.262	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-101.6	137.5	172.3	-57.6	-176.6	0	0	0	111.3	Q42 A44 Q53 D54	Q42-L51 HydrophobicContact CG-CD1 4.2Å; Q42-L51 PolarHBondContact O-N 2.96Å; A44-L51 HydrophobicContact CB-CD2 4.19Å; L51-Q53 HydrophobicContact CB-CG 3.92Å; L51-Q53 HydrophobicContact CD1-CG 4.32Å; L51-Q53 PolarHBondContact O-N 2.81Å; L51-Q53 VanDerWaalsContact O-N 3.16Å; L51-D54 WeakPolarHBondContact O-CB 3.45Å; L51-D54 PolarHBondContact O-N 2.88Å; L51-D54 VanDerWaalsContact O-N 3.08Å
52	V	98.4	Very high	98.3	Very high	140 Å²	140	79.9 Å²	79.9	85%	0.848	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.5	174.4	175.3	0	0	0	0	112.1	D54	V52-D54 PolarHBondContact O-N 2.81Å
53	Q	98.1	Very high	98.3	Very high	121 Å²	121	82.4 Å²	82.4	57%	0.565	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-4	178.3	81.7	-167.3	25.3	0	0	113.7	L51 V55	L51-Q53 HydrophobicContact CB-CG 3.92Å; L51-Q53 HydrophobicContact CD1-CG 4.32Å; L51-Q53 PolarHBondContact O-N 2.81Å; L51-Q53 VanDerWaalsContact O-N 3.16Å; Q53-V55 PolarHBondContact O-N 3.12Å
54	D	98.6	Very high	98.3	Very high	14 Å²	14	85.1 Å²	85.1	8%	0.075	47%	0.469	C	S	.	.			trans	-71.5	78.4	168.2	-163	-23.3	0	0	0	110.3	Q42 L50 L51 V52 V56 F57 T58	Q42-D54 HydrophobicContact CB-CB 3.93Å; Q42-D54 PolarHBondContact N-OD2 2.86Å; L50-D54 HydrophobicContact CD1-CB 4.08Å; L51-D54 WeakPolarHBondContact O-CB 3.45Å; L51-D54 PolarHBondContact O-N 2.88Å; L51-D54 VanDerWaalsContact O-N 3.08Å; V52-D54 PolarHBondContact O-N 2.81Å; D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.34Å; D54-V56 PolarHBondContact OD1-N 2.61Å; D54-F57 HydrophobicContact CB-CB 4.13Å; D54-F57 VanDerWaalsContact CG-CB 3.49Å; D54-F57 PolarHBondContact O-N 3.37Å; D54-F57 WeakPolarHBondContact OD1-CB 3.44Å; D54-F57 PolarHBondContact OD1-N 2.75Å; D54-T58 PolarHBondContact O-N 3.47Å; D54-T58 VanDerWaalsContact O-N 3.09Å; D54-T58 PolarHBondContact O-OG1 2.86Å
55	V	98.4	Very high	98.4	Very high	100 Å²	100	87.3 Å²	87.3	61%	0.606	47%	0.472	S	S	*	.	H	α-helix	trans	-72.3	-20.8	-179.1	-63.7	0	0	0	0	112.4	Q53 D59	Q53-V55 PolarHBondContact O-N 3.12Å; V55-D59 WeakPolarHBondContact O-CB 3.24Å; V55-D59 PolarHBondContact O-N 2.79Å
56	V	98.7	Very high	98.4	Very high	35 Å²	35	94.1 Å²	94.1	21%	0.212	49%	0.485	C	S	.	.	H	α-helix	trans	-69.2	-49.7	174.5	176.8	0	0	0	0	109.4	T29 V35 D54 E60	T29-V56 HydrophobicContact CG2-CG2 4.07Å; V35-V56 HydrophobicContact CG1-CG1 3.86Å; V35-V56 HydrophobicContact CG1-CG2 4.37Å; V35-V56 HydrophobicContact CG2-CG1 4.12Å; V35-V56 HydrophobicContact CG2-CG2 4.23Å; D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.34Å; D54-V56 PolarHBondContact OD1-N 2.61Å; V56-E60 PolarHBondContact O-N 2.83Å
57	F	98.7	Very high	98.4	Very high	63 Å²	63	91.2 Å²	91.2	28%	0.276	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-48.7	174.2	167.7	-105.8	0	0	0	111.6	L41 L50 D54 D59 E60 M61	L41-F57 HydrophobicContact CD2-CB 3.8Å; L41-F57 HydrophobicContact CD2-CD1 4.39Å; L41-F57 HydrophobicContact CD2-CD2 3.37Å; L41-F57 HydrophobicContact CD2-CE2 4.01Å; L41-F57 HydrophobicContact CD2-CG 3.58Å; L50-F57 HydrophobicContact CD2-CD1 4.11Å; L50-F57 HydrophobicContact CD2-CE1 3.83Å; L50-F57 HydrophobicContact CD2-CZ 4.49Å; D54-F57 HydrophobicContact CB-CB 4.13Å; D54-F57 VanDerWaalsContact CG-CB 3.49Å; D54-F57 PolarHBondContact O-N 3.37Å; D54-F57 WeakPolarHBondContact OD1-CB 3.44Å; D54-F57 PolarHBondContact OD1-N 2.75Å; F57-D59 PolarHBondContact O-N 3.4Å; F57-E60 PolarHBondContact O-N 3.08Å; F57-M61 HydrophobicContact CD2-CB 4.46Å; F57-M61 HydrophobicContact CD2-CE 4.4Å; F57-M61 HydrophobicContact CE2-CB 4.13Å; F57-M61 HydrophobicContact CE2-CE 3.58Å; F57-M61 HydrophobicContact CE2-CG 4.27Å; F57-M61 HydrophobicContact CZ-CB 4.24Å; F57-M61 HydrophobicContact CZ-CE 4.22Å; F57-M61 HydrophobicContact CZ-CG 4.17Å; F57-M61 WeakPolarHBondContact O-CB 3.32Å; F57-M61 PolarHBondContact O-N 2.6Å
58	T	98.7	Very high	98.5	Very high	69 Å²	69	88.4 Å²	88.4	42%	0.423	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-42.6	-175.2	-55.5	0	0	0	0	111.9	D54 A62	D54-T58 PolarHBondContact O-N 3.47Å; D54-T58 VanDerWaalsContact O-N 3.09Å; D54-T58 PolarHBondContact O-OG1 2.86Å; T58-A62 WeakPolarHBondContact O-CB 3.26Å; T58-A62 PolarHBondContact O-N 3.13Å
59	D	98.8	Very high	98.5	Very high	70 Å²	70	89.9 Å²	89.9	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-61.3	-51.4	177.2	179.7	69.1	0	0	0	112	T29 G30 V55 F57 H63	T29-D59 WeakPolarHBondContact CB-OD2 3.43Å; G30-D59 PolarHBondContact N-OD2 2.87Å; V55-D59 WeakPolarHBondContact O-CB 3.24Å; V55-D59 PolarHBondContact O-N 2.79Å; F57-D59 PolarHBondContact O-N 3.4Å; D59-H63 PolarHBondContact O-N 2.69Å
60	E	98.6	Very high	98.6	Very high	84 Å²	84	88.3 Å²	88.3	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-63.2	-51	179	169.3	167.5	-134	0	0	112.2	K38 V56 F57 A62 H63 F64	K38-E60 VanDerWaalsContact CE-CD 3.45Å; K38-E60 WeakPolarHBondContact CE-OE1 3.37Å; K38-E60 WeakPolarHBondContact CE-OE2 3.46Å; K38-E60 IonicContact NZ-OE1 2.64Å; K38-E60 PolarHBondContact NZ-OE1 3.06Å; K38-E60 IonicContact NZ-OE2 2.64Å; K38-E60 PolarHBondContact NZ-OE2 3.29Å; V56-E60 PolarHBondContact O-N 2.83Å; F57-E60 PolarHBondContact O-N 3.08Å; E60-A62 VanDerWaalsContact C-N 3.32Å; E60-A62 PolarHBondContact O-N 3.13Å; E60-H63 PolarHBondContact O-N 2.99Å; E60-F64 PolarHBondContact O-N 3.5Å
61	M	98.8	Very high	98.6	Very high	74 Å²	74	87.8 Å²	87.8	37%	0.365	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-40.5	-174.8	-169.2	59.7	67.5	0	0	110.8	F57 H63 F64 D65	F57-M61 HydrophobicContact CD2-CB 4.46Å; F57-M61 HydrophobicContact CD2-CE 4.4Å; F57-M61 HydrophobicContact CE2-CB 4.13Å; F57-M61 HydrophobicContact CE2-CE 3.58Å; F57-M61 HydrophobicContact CE2-CG 4.27Å; F57-M61 HydrophobicContact CZ-CB 4.24Å; F57-M61 HydrophobicContact CZ-CE 4.22Å; F57-M61 HydrophobicContact CZ-CG 4.17Å; F57-M61 WeakPolarHBondContact O-CB 3.32Å; F57-M61 PolarHBondContact O-N 2.6Å; M61-H63 VanDerWaalsContact C-N 3.32Å; M61-H63 PolarHBondContact O-N 2.99Å; M61-F64 WeakPolarHBondContact O-CB 3.4Å; M61-F64 PolarHBondContact O-N 3.43Å; M61-F64 HydrophobicContact SD-CD1 3.96Å; M61-D65 VanDerWaalsContact O-CG 3.25Å; M61-D65 PolarHBondContact O-N 3.14Å
62	A	98.8	Very high	98.6	Very high	37 Å²	37	86.4 Å²	86.4	31%	0.306	43%	0.427	S	S	.	.	H	α-helix	trans	-66.2	-32.6	178.9	0	0	0	0	0	113.2	T58 E60 R66	T58-A62 WeakPolarHBondContact O-CB 3.26Å; T58-A62 PolarHBondContact O-N 3.13Å; E60-A62 VanDerWaalsContact C-N 3.32Å; E60-A62 PolarHBondContact O-N 3.13Å; A62-R66 PolarHBondContact O-NH1 3.07Å
63	H	98.8	Very high	98.6	Very high	134 Å²	134	84.1 Å²	84.1	62%	0.62	41%	0.413	S	S	*	.	H	α-helix	trans	-73.3	-43.6	173.1	-172.9	-75.8	0	0	0	111.4	D59 E60 M61 D65 R66 E67	D59-H63 PolarHBondContact O-N 2.69Å; E60-H63 PolarHBondContact O-N 2.99Å; M61-H63 VanDerWaalsContact C-N 3.32Å; M61-H63 PolarHBondContact O-N 2.99Å; H63-D65 VanDerWaalsContact C-N 3.29Å; H63-D65 PolarHBondContact O-N 3.14Å; H63-R66 CarbonylContact O-C 3.52Å; H63-R66 WeakPolarHBondContact O-CA 3.4Å; H63-R66 PolarHBondContact O-N 3.37Å; H63-E67 PolarHBondContact O-N 3.03Å
64	F	98.7	Very high	98.6	Very high	112 Å²	112	79.3 Å²	79.3	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-53.4	-46.6	174.9	170.6	-100.3	0	0	0	111.8	E60 M61 R66 E67	E60-F64 PolarHBondContact O-N 3.5Å; M61-F64 WeakPolarHBondContact O-CB 3.4Å; M61-F64 PolarHBondContact O-N 3.43Å; M61-F64 HydrophobicContact SD-CD1 3.96Å; F64-R66 PolarHBondContact O-N 3.32Å; F64-E67 WeakPolarHBondContact O-CG 3.32Å; F64-E67 PolarHBondContact O-N 3.21Å
65	D	98.7	Very high	98.6	Very high	107 Å²	107	79.7 Å²	79.7	57%	0.572	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.2	177.7	-70.9	-17.9	0	0	0	113.8	M61 H63	M61-D65 VanDerWaalsContact O-CG 3.25Å; M61-D65 PolarHBondContact O-N 3.14Å; H63-D65 VanDerWaalsContact C-N 3.29Å; H63-D65 PolarHBondContact O-N 3.14Å
66	R	98.6	Very high	98.6	Very high	181 Å²	181	75 Å²	75	68%	0.683	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	10.7	-176.1	-69.6	172.1	179.2	69.8	3.3	113.8	A62 H63 F64 R68	A62-R66 PolarHBondContact O-NH1 3.07Å; H63-R66 CarbonylContact O-C 3.52Å; H63-R66 WeakPolarHBondContact O-CA 3.4Å; H63-R66 PolarHBondContact O-N 3.37Å; F64-R66 PolarHBondContact O-N 3.32Å; R66-R68 VanDerWaalsContact C-N 3.28Å; R66-R68 PolarHBondContact O-N 2.91Å
67	E	98.7	Very high	98.7	Very high	77 Å²	77	73.8 Å²	73.8	36%	0.36	36%	0.357	S	S	.	.			trans	-65.1	-29	179.5	-74.4	-178.3	179.8	0	0	113.8	H63 F64	H63-E67 PolarHBondContact O-N 3.03Å; F64-E67 WeakPolarHBondContact O-CG 3.32Å; F64-E67 PolarHBondContact O-N 3.21Å
68	R	98.6	Very high	98.6	Very high	191 Å²	191	70.9 Å²	70.9	72%	0.721	34%	0.344	S	S	*	.			trans	-85.7	126.8	-175.5	-57.2	-62.2	174.4	-86.9	-5.5	110.5	R66	R66-R68 VanDerWaalsContact C-N 3.28Å; R66-R68 PolarHBondContact O-N 2.91Å
69	I	98.8	Very high	98.6	Very high	56 Å²	56	67.7 Å²	67.7	29%	0.287	33%	0.325	S	S	.	.			trans	-104.1	162.4	164.1	62.2	168.8	0	0	0	109.2	E71 F327 E331 Q332 L367	I69-E71 PolarHBondContact O-N 3.38Å; I69-F327 HydrophobicContact CD1-CE2 4.33Å; I69-F327 HydrophobicContact CD1-CZ 3.99Å; I69-F327 HydrophobicContact CG1-CE2 4.05Å; I69-F327 HydrophobicContact CG1-CZ 3.89Å; I69-F327 HydrophobicContact CG2-CZ 4.18Å; I69-E331 HydrophobicContact CD1-CG 4.4Å; I69-Q332 HydrophobicContact CD1-CG 4.2Å; I69-L367 HydrophobicContact CD1-CD2 3.67Å
70	P	98.8	Very high	98.6	Very high	62 Å²	62	64.7 Å²	64.7	40%	0.403	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-55.1	135.1	172.2	-23.1	33.6	0	0	0	110.8	R366	P70-R366 HydrophobicContact CB-CG 4.3Å; P70-R366 VanDerWaalsContact O-CD 3.29Å; P70-R366 WeakPolarHBondContact O-CD 3.15Å; P70-R366 WeakPolarHBondContact O-CG 3.39Å
71	E	98.7	Very high	98.7	Very high	67 Å²	67	60.7 Å²	60.7	31%	0.313	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-68.4	167.9	169.4	65.1	176.3	-141.8	0	0	110.6	I69 V73 A76 E119 S120	I69-E71 PolarHBondContact O-N 3.38Å; E71-V73 PolarHBondContact O-N 2.67Å; E71-A76 HydrophobicContact CB-CB 4.1Å; E71-A76 HydrophobicContact CG-CB 4.09Å; E71-E119 WeakPolarHBondContact OE1-CA 3.28Å; E71-E119 WeakPolarHBondContact OE1-CB 2.92Å; E71-S120 WeakPolarHBondContact CB-OG 3.43Å; E71-S120 VanDerWaalsContact OE2-CB 3.29Å; E71-S120 WeakPolarHBondContact OE2-CB 3.23Å; E71-S120 PolarHBondContact OE2-N 3.5Å; E71-S120 PolarHBondContact OE2-OG 3.23Å
72	R	98.8	Very high	98.7	Very high	21 Å²	21	57.5 Å²	57.5	8%	0.079	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.9	132.5	170.5	-64.1	169.5	178.8	71.3	-5.2	109.3	V74 V330 E331 L333	R72-V74 WeakPolarHBondContact CB-O 3.44Å; R72-V74 PolarHBondContact O-N 2.91Å; R72-V74 VanDerWaalsContact O-N 3.11Å; R72-V330 PolarHBondContact NH2-O 2.85Å; R72-E331 PolarHBondContact NH1-O 2.84Å; R72-E331 IonicContact NH1-OE1 3.31Å; R72-E331 PolarHBondContact NH1-OE1 2.82Å; R72-E331 IonicContact NH1-OE2 2.83Å; R72-E331 PolarHBondContact NH2-O 2.97Å; R72-L333 PolarHBondContact NH2-O 2.92Å
73	V	98.2	Very high	98.7	Very high	92 Å²	92	56.4 Å²	56.4	56%	0.558	27%	0.268	S	S	*	.	S	Bend	trans	-56.6	-32.1	179.7	67.8	0	0	0	0	112.7	E71 K169	E71-V73 PolarHBondContact O-N 2.67Å; V73-K169 WeakPolarHBondContact O-CE 3.4Å; V73-K169 PolarHBondContact O-NZ 2.69Å
74	V	98.1	Very high	98.7	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.115	25%	0.253	C	S	.	.	S	Bend	trans	-129.3	155.1	168.3	-71.2	0	0	0	0	108.5	R72 A76 V116 F161 V165	R72-V74 WeakPolarHBondContact CB-O 3.44Å; R72-V74 PolarHBondContact O-N 2.91Å; R72-V74 VanDerWaalsContact O-N 3.11Å; V74-A76 VanDerWaalsContact C-N 3.33Å; V74-A76 PolarHBondContact O-N 2.82Å; V74-V116 HydrophobicContact CB-CG1 4.41Å; V74-F161 HydrophobicContact CG2-CZ 4.47Å; V74-V165 HydrophobicContact CG1-CB 4.21Å; V74-V165 HydrophobicContact CG1-CG1 3.47Å; V74-V165 VanDerWaalsContact CG1-CG1 3.47Å; V74-V165 HydrophobicContact CG1-CG2 3.59Å
75	H	98.7	Very high	98.7	Very high	23 Å²	23	48.3 Å²	48.3	11%	0.106	23%	0.23	C	C	.	.	S	Bend	trans	62.2	36.6	179.7	-58.8	-87.3	0	0	0	114	R112 S114 T115 V116 N148	H75-R112 PolarHBondContact O-NH1 3.38Å; H75-R112 PolarHBondContact O-NH2 3.01Å; H75-S114 WeakPolarHBondContact CB-OG 3.35Å; H75-S114 PolarHBondContact ND1-OG 2.96Å; H75-T115 VanDerWaalsContact CA-O 3.24Å; H75-T115 WeakPolarHBondContact CA-O 3.38Å; H75-T115 WeakPolarHBondContact CB-O 3.39Å; H75-T115 VanDerWaalsContact CG-O 3.32Å; H75-T115 PolarHBondContact ND1-O 3.05Å; H75-V116 VanDerWaalsContact CE1-CG2 3.47Å; H75-V116 WeakPolarHBondContact CE1-CG2 3.18Å; H75-V116 PolarHBondContact N-O 3.25Å; H75-N148 PolarHBondContact CE1-OD1 3.49Å
76	A	98.7	Very high	98.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.217	C	C	.	.			trans	-63.4	-52.2	-178.3	0	0	0	0	0	112.2	E71 V74 R112	E71-A76 HydrophobicContact CB-CB 4.1Å; E71-A76 HydrophobicContact CG-CB 4.09Å; V74-A76 VanDerWaalsContact C-N 3.33Å; V74-A76 PolarHBondContact O-N 2.82Å; A76-R112 PolarHBondContact O-NH2 2.71Å
77	K	98.8	Very high	98.7	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.043	19%	0.185	C	C	.	.	S	Bend	trans	-76.3	126.3	177.1	-174.4	73.7	-171.2	-65.3	0	111.5	S114 T115 S120 S122 D124 P259 D260	K77-S114 WeakPolarHBondContact O-CA 3.5Å; K77-S114 WeakPolarHBondContact O-CB 3.02Å; K77-T115 PolarHBondContact O-N 2.88Å; K77-T115 VanDerWaalsContact O-N 3.15Å; K77-S120 WeakPolarHBondContact CD-O 3.08Å; K77-S122 WeakPolarHBondContact CD-O 3.47Å; K77-S122 PolarHBondContact NZ-O 3.19Å; K77-D124 VanDerWaalsContact CE-OD1 3.28Å; K77-D124 WeakPolarHBondContact CE-OD1 3.49Å; K77-D124 WeakPolarHBondContact CG-OD1 3.42Å; K77-D124 IonicContact NZ-OD1 2.7Å; K77-D124 PolarHBondContact NZ-OD1 2.82Å; K77-P259 PolarHBondContact NZ-O 2.95Å; K77-D260 WeakPolarHBondContact CE-OD1 3.37Å; K77-D260 IonicContact NZ-OD1 2.65Å; K77-D260 PolarHBondContact NZ-OD1 3.18Å
78	G	98.5	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	176.3	-179.4	0	0	0	0	0	116	F113 I263 Y326	G78-F113 CarbonylContact C-O 3.51Å; G78-F113 WeakPolarHBondContact CA-O 3.48Å; G78-I263 WeakPolarHBondContact O-CD1 3.21Å; G78-Y326 PolarHBondContact O-OH 3.14Å
79	A	98.8	Very high	98.7	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.5	176.7	0	0	0	0	0	109.2	R112 F113 I263 L266	A79-R112 CarbonylContact O-C 3.5Å; A79-R112 WeakPolarHBondContact O-CA 3.41Å; A79-F113 PolarHBondContact N-O 3.41Å; A79-F113 PolarHBondContact O-N 3.12Å; A79-I263 HydrophobicContact CB-CB 4.35Å; A79-I263 HydrophobicContact CB-CG1 3.77Å; A79-L266 HydrophobicContact CB-CD2 4.03Å
80	G	98.6	Very high	98.7	Very high	6 Å²	6	33.3 Å²	33.3	6%	0.062	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151	179.1	0	0	0	0	0	112.4	V111 P323	G80-V111 VanDerWaalsContact CA-O 3.22Å; G80-V111 WeakPolarHBondContact CA-O 3.29Å; G80-P323 VanDerWaalsContact O-CD 3.3Å; G80-P323 WeakPolarHBondContact O-CD 3.37Å
81	A	98.9	Very high	98.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	165.3	174.1	0	0	0	0	0	110.4	V111 L266 I270 L319	A81-V111 PolarHBondContact N-O 2.81Å; A81-V111 PolarHBondContact O-N 2.83Å; A81-L266 HydrophobicContact CB-CD2 4.09Å; A81-L266 HydrophobicContact CB-CG 4.47Å; A81-I270 HydrophobicContact CB-CD1 3.51Å; A81-L319 HydrophobicContact CB-CB 4.27Å; A81-L319 HydrophobicContact CB-CD1 4.15Å; A81-L319 HydrophobicContact CB-CD2 4.49Å
82	F	98.9	Very high	98.7	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.8	-178.6	-59	-92.5	0	0	0	110.9	I109 A110 L319 N320 R321 P323 E329 V376	F82-I109 WeakPolarHBondContact CA-O 3.24Å; F82-A110 HydrophobicContact CD1-CB 3.49Å; F82-A110 VanDerWaalsContact CD1-CB 3.49Å; F82-A110 HydrophobicContact CE1-CB 3.4Å; F82-A110 HydrophobicContact CZ-CB 4.44Å; F82-L319 CarbonylContact O-C 3.54Å; F82-L319 WeakPolarHBondContact O-CA 3.43Å; F82-N320 PolarHBondContact O-N 2.88Å; F82-R321 HydrophobicContact CB-CB 4.16Å; F82-R321 VanDerWaalsContact CD1-NH2 3.27Å; F82-R321 PolarHBondContact N-O 3.3Å; F82-R321 PolarHBondContact O-N 2.73Å; F82-P323 HydrophobicContact CE2-CB 4.18Å; F82-E329 HydrophobicContact CE2-CB 3.98Å; F82-E329 VanDerWaalsContact CE2-OE2 3.29Å; F82-E329 WeakPolarHBondContact CE2-OE2 3.44Å; F82-E329 HydrophobicContact CZ-CB 3.84Å; F82-E329 HydrophobicContact CZ-CG 4.36Å; F82-V376 HydrophobicContact CE1-CG2 3.74Å; F82-V376 HydrophobicContact CZ-CG2 3.79Å
83	G	98.8	Very high	98.6	Very high	13 Å²	13	36.3 Å²	36.3	13%	0.134	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-130.4	170.4	0	0	0	0	0	111.6	I109 V318 N320	G83-I109 PolarHBondContact N-O 3.39Å; G83-I109 PolarHBondContact O-N 3.13Å; G83-V318 VanDerWaalsContact CA-O 3.3Å; G83-V318 WeakPolarHBondContact CA-O 3.1Å; G83-N320 VanDerWaalsContact CA-OD1 3.22Å; G83-N320 WeakPolarHBondContact CA-OD1 3.4Å
84	Y	98.9	Very high	98.6	Very high	77 Å²	77	34 Å²	34	30%	0.302	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.5	-179	63.5	-86.1	0	0	0	113.2	E86 T106 T107 V318	Y84-E86 HydrophobicContact CD2-CB 4.14Å; Y84-E86 HydrophobicContact CE2-CB 4.1Å; Y84-T106 HydrophobicContact CD2-CG2 4.23Å; Y84-T107 CarbonylContact C-O 3.53Å; Y84-T107 VanDerWaalsContact CA-O 3.3Å; Y84-T107 WeakPolarHBondContact CA-O 3.38Å; Y84-V318 HydrophobicContact CD1-CB 4.32Å; Y84-V318 HydrophobicContact CE1-CB 3.81Å; Y84-V318 HydrophobicContact CE1-CG1 4Å; Y84-V318 HydrophobicContact CE1-CG2 4.37Å; Y84-V318 HydrophobicContact CE2-CB 4.15Å; Y84-V318 HydrophobicContact CE2-CG2 3.94Å; Y84-V318 PolarHBondContact N-O 2.83Å; Y84-V318 PolarHBondContact O-N 3.25Å
85	F	98.9	Very high	98.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.5	162.6	171.9	-111.5	0	0	0	108.9	V87 V99 F100 T106 T107 I109 F136 F280 V314 K316 L317	F85-V87 HydrophobicContact CD1-CG2 4.49Å; F85-V87 HydrophobicContact CE1-CG2 3.69Å; F85-V87 HydrophobicContact CZ-CG2 4.24Å; F85-V99 HydrophobicContact CD1-CG2 3.83Å; F85-V99 HydrophobicContact CE1-CG2 4.01Å; F85-F100 AromaticContact CE1-CD1 3.82Å; F85-F100 HydrophobicContact CE1-CD1 3.82Å; F85-F100 AromaticContact CE1-CE1 3.78Å; F85-F100 HydrophobicContact CE1-CE1 3.78Å; F85-F100 AromaticContact CZ-CD1 3.95Å; F85-F100 HydrophobicContact CZ-CD1 3.95Å; F85-F100 AromaticContact CZ-CE1 3.72Å; F85-F100 HydrophobicContact CZ-CE1 3.72Å; F85-T106 CarbonylContact O-C 3.59Å; F85-T106 VanDerWaalsContact O-CA 3.25Å; F85-T106 WeakPolarHBondContact O-CA 3.49Å; F85-T107 PolarHBondContact N-O 3.09Å; F85-T107 PolarHBondContact O-N 2.99Å; F85-I109 HydrophobicContact CB-CG2 3.77Å; F85-F136 HydrophobicContact CB-CD1 3.78Å; F85-F136 HydrophobicContact CB-CE1 3.68Å; F85-F136 HydrophobicContact CD1-CD1 4.2Å; F85-F136 HydrophobicContact CD1-CE1 4.1Å; F85-F136 HydrophobicContact CD2-CE1 4.02Å; F85-F136 HydrophobicContact CG-CD1 4.03Å; F85-F136 AromaticContact CG-CE1 3.66Å; F85-F136 HydrophobicContact CG-CE1 3.66Å; F85-F280 HydrophobicContact CE2-CB 4.02Å; F85-F280 HydrophobicContact CE2-CD1 4.46Å; F85-F280 HydrophobicContact CE2-CG 4.17Å; F85-V314 HydrophobicContact CZ-CG1 4.17Å; F85-K316 CarbonylContact C-O 3.49Å; F85-K316 VanDerWaalsContact CA-O 3.32Å; F85-K316 WeakPolarHBondContact CA-O 3.31Å; F85-K316 WeakPolarHBondContact CD2-O 3.46Å; F85-L317 HydrophobicContact CB-CD2 3.86Å; F85-L317 HydrophobicContact CD2-CD2 3.66Å; F85-L317 HydrophobicContact CD2-CG 4.25Å; F85-L317 HydrophobicContact CG-CD2 4.16Å
86	E	98.8	Very high	98.6	Very high	65 Å²	65	35.2 Å²	35.2	30%	0.304	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.6	175.7	-179.4	-178.7	-155.2	0	0	110.1	Y84 K105 T106 G315 K316	Y84-E86 HydrophobicContact CD2-CB 4.14Å; Y84-E86 HydrophobicContact CE2-CB 4.1Å; E86-K105 WeakPolarHBondContact CA-O 3.47Å; E86-T106 HydrophobicContact CB-CG2 4.26Å; E86-T106 HydrophobicContact CG-CG2 4.26Å; E86-G315 CarbonylContact O-C 3.25Å; E86-G315 WeakPolarHBondContact O-CA 3.5Å; E86-K316 PolarHBondContact N-O 3.25Å; E86-K316 PolarHBondContact O-N 3.36Å
87	V	98.8	Very high	98.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.8	172.4	-177.4	0	0	0	0	109.1	F85 H89 V99 H102 V103 G104 K105	F85-V87 HydrophobicContact CD1-CG2 4.49Å; F85-V87 HydrophobicContact CE1-CG2 3.69Å; F85-V87 HydrophobicContact CZ-CG2 4.24Å; V87-H89 WeakPolarHBondContact CG1-O 3.37Å; V87-V99 WeakPolarHBondContact CG2-O 3.1Å; V87-H102 WeakPolarHBondContact CB-O 3.36Å; V87-V103 HydrophobicContact CG1-CG2 4.42Å; V87-G104 PolarHBondContact O-N 3.4Å; V87-K105 HydrophobicContact CG2-CB 4.16Å; V87-K105 PolarHBondContact N-O 3.26Å
88	T	98.6	Very high	98.6	Very high	50 Å²	50	37.7 Å²	37.7	31%	0.307	18%	0.179	S	C	.	.			trans	-114	-18.6	178.6	60.6	0	0	0	0	112.8	V314 G315	T88-V314 PolarHBondContact N-O 2.99Å; T88-V314 PolarHBondContact OG1-O 3.44Å; T88-G315 WeakPolarHBondContact OG1-CA 3.35Å; T88-G315 PolarHBondContact OG1-N 2.83Å
89	H	98.7	Very high	98.6	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.407	18%	0.179	S	C	.	.	S	Bend	trans	-138.8	142.1	-178.3	-64.5	73.7	0	0	0	110.5	V87 I91 P313 V314	V87-H89 WeakPolarHBondContact CG1-O 3.37Å; H89-I91 PolarHBondContact O-N 2.77Å; H89-P313 HydrophobicContact CB-CG 4.41Å; H89-P313 VanDerWaalsContact CB-O 3.24Å; H89-P313 WeakPolarHBondContact CB-O 3.49Å; H89-P313 VanDerWaalsContact CD2-CG 3.45Å; H89-P313 WeakPolarHBondContact CD2-CG 3.48Å; H89-V314 PolarHBondContact N-O 3.33Å
90	D	98.6	Very high	98.6	Very high	93 Å²	93	37.5 Å²	37.5	50%	0.497	18%	0.178	S	C	.	.			trans	-77.2	122	180	-171.3	-19.3	0	0	0	111.4	T92 V103	D90-T92 VanDerWaalsContact OD1-CB 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.33Å; D90-T92 VanDerWaalsContact OD1-CG2 3.29Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.37Å; D90-T92 PolarHBondContact OD1-N 3.2Å; D90-T92 PolarHBondContact OD1-OG1 3.16Å; D90-V103 HydrophobicContact CB-CG2 4.36Å
91	I	98.6	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.			trans	-123.4	15	173.4	63.1	160.8	0	0	0	113.1	H89 R93 Y94 C95 F100 I282 I312 V314	H89-I91 PolarHBondContact O-N 2.77Å; I91-R93 PolarHBondContact O-N 3.35Å; I91-R93 VanDerWaalsContact O-N 3.12Å; I91-Y94 HydrophobicContact CB-CD2 4.14Å; I91-Y94 PolarHBondContact O-N 3.13Å; I91-C95 PolarHBondContact O-N 3.05Å; I91-F100 HydrophobicContact CD1-CB 4.13Å; I91-F100 HydrophobicContact CD1-CD1 4.09Å; I91-F100 HydrophobicContact CD1-CD2 3.8Å; I91-F100 HydrophobicContact CD1-CE1 4.45Å; I91-F100 HydrophobicContact CD1-CE2 4.17Å; I91-F100 HydrophobicContact CD1-CG 3.75Å; I91-F100 HydrophobicContact CD1-CZ 4.47Å; I91-F100 HydrophobicContact CG1-CB 3.93Å; I91-F100 HydrophobicContact CG1-CD2 4.48Å; I91-F100 HydrophobicContact CG1-CG 4.12Å; I91-I282 HydrophobicContact CB-CD1 4.44Å; I91-I282 HydrophobicContact CD1-CD1 4.07Å; I91-I282 HydrophobicContact CG2-CD1 4.21Å; I91-I312 HydrophobicContact CG2-CG2 4.4Å; I91-V314 HydrophobicContact CD1-CB 4.44Å; I91-V314 HydrophobicContact CD1-CG1 3.58Å; I91-V314 HydrophobicContact CD1-CG2 4Å; I91-V314 HydrophobicContact CG1-CG1 4.04Å; I91-V314 HydrophobicContact CG2-CG1 4.49Å; I91-V314 HydrophobicContact CG2-CG2 4.02Å
92	T	98.4	Very high	98.6	Very high	55 Å²	55	46.1 Å²	46.1	34%	0.337	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.9	-176.6	58.8	0	0	0	0	112.9	D90 Y94 C95	D90-T92 VanDerWaalsContact OD1-CB 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.33Å; D90-T92 VanDerWaalsContact OD1-CG2 3.29Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.37Å; D90-T92 PolarHBondContact OD1-N 3.2Å; D90-T92 PolarHBondContact OD1-OG1 3.16Å; T92-Y94 PolarHBondContact O-N 3.24Å; T92-Y94 VanDerWaalsContact O-N 3.14Å; T92-C95 WeakPolarHBondContact CA-O 3.17Å; T92-C95 PolarHBondContact O-N 3.39Å
93	R	98.3	Very high	98.5	Very high	157 Å²	157	49.8 Å²	49.8	59%	0.592	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.8	169.8	62.8	177.4	163.3	-179.3	-3.4	114	I91 N224	I91-R93 PolarHBondContact O-N 3.35Å; I91-R93 VanDerWaalsContact O-N 3.12Å; R93-N224 WeakPolarHBondContact O-CB 3.48Å; R93-N224 PolarHBondContact O-ND2 2.91Å
94	Y	98.6	Very high	98.5	Very high	45 Å²	45	51.1 Å²	51.1	18%	0.176	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-32.5	-180	-54.2	-58.7	0	0	0	113.1	I91 T92 L222 V223 N224 V230 I282 V284 I312	I91-Y94 HydrophobicContact CB-CD2 4.14Å; I91-Y94 PolarHBondContact O-N 3.13Å; T92-Y94 PolarHBondContact O-N 3.24Å; T92-Y94 VanDerWaalsContact O-N 3.14Å; Y94-L222 CarbonylContact O-C 3.58Å; Y94-L222 WeakPolarHBondContact O-CB 3.45Å; Y94-V223 CarbonylContact O-C 3.32Å; Y94-V223 PolarHBondContact O-N 3.05Å; Y94-N224 PolarHBondContact O-N 3Å; Y94-V230 HydrophobicContact CD1-CG2 4.11Å; Y94-V230 HydrophobicContact CG-CG2 4.46Å; Y94-I282 HydrophobicContact CD2-CD1 4.16Å; Y94-V284 HydrophobicContact CD1-CG1 4.11Å; Y94-V284 HydrophobicContact CD1-CG2 4.42Å; Y94-V284 HydrophobicContact CD2-CG2 4.22Å; Y94-V284 HydrophobicContact CE1-CG1 3.98Å; Y94-V284 HydrophobicContact CE1-CG2 4.42Å; Y94-V284 HydrophobicContact CE2-CG2 4.22Å; Y94-V284 HydrophobicContact CG-CG2 4.33Å; Y94-I312 HydrophobicContact CE2-CD1 4.03Å
95	C	98.5	Very high	98.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.242	C	C	.	.			trans	-141.9	128.6	-167.6	-172.5	0	0	0	0	111.9	I91 T92 A97 F100 L222 V223 G343	I91-C95 PolarHBondContact O-N 3.05Å; T92-C95 WeakPolarHBondContact CA-O 3.17Å; T92-C95 PolarHBondContact O-N 3.39Å; C95-A97 VanDerWaalsContact C-N 3.32Å; C95-A97 WeakPolarHBondContact SG-CB 3.14Å; C95-A97 PolarHBondContact SG-N 3.45Å; C95-A97 VanDerWaalsContact SG-N 3.39Å; C95-F100 HydrophobicContact CB-CD2 4.31Å; C95-L222 HydrophobicContact CB-CB 4.13Å; C95-L222 HydrophobicContact CB-CD1 4.3Å; C95-L222 HydrophobicContact CB-CD2 4.25Å; C95-L222 HydrophobicContact CB-CG 4.46Å; C95-V223 CarbonylContact C-O 3.35Å; C95-V223 WeakPolarHBondContact CA-O 3.47Å; C95-G343 PolarHBondContact SG-O 3.29Å
96	K	98.3	Very high	98.5	Very high	66 Å²	66	52 Å²	52	29%	0.287	27%	0.265	S	S	.	.			trans	-85.3	-1	174.9	71.5	-175.1	173.5	-179.3	0	114.1	K98 V223 R418	K96-K98 PolarHBondContact O-N 3.23Å; K96-V223 WeakPolarHBondContact CG-O 3.28Å; K96-V223 PolarHBondContact N-O 3.24Å; K96-R418 PolarHBondContact NZ-O 3.16Å
97	A	98.6	Very high	98.5	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.251	C	S	.	.			trans	-63.4	129.1	-175	0	0	0	0	0	110.9	C95 V99 F100 P342 I344	C95-A97 VanDerWaalsContact C-N 3.32Å; C95-A97 WeakPolarHBondContact SG-CB 3.14Å; C95-A97 PolarHBondContact SG-N 3.45Å; C95-A97 VanDerWaalsContact SG-N 3.39Å; A97-V99 HydrophobicContact CB-CG1 4.12Å; A97-V99 PolarHBondContact O-N 3.26Å; A97-V99 VanDerWaalsContact O-N 3.1Å; A97-F100 HydrophobicContact CB-CD2 4.22Å; A97-F100 PolarHBondContact O-N 3.05Å; A97-P342 WeakPolarHBondContact CA-O 3.37Å; A97-P342 WeakPolarHBondContact CB-O 3.47Å; A97-P342 PolarHBondContact N-O 2.72Å; A97-I344 HydrophobicContact CB-CD1 4.1Å; A97-I344 HydrophobicContact CB-CG1 3.96Å
98	K	98.4	Very high	98.5	Very high	61 Å²	61	51.1 Å²	51.1	27%	0.265	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-62.7	-24.2	-173.3	-74	-167.4	-179.8	159.6	0	114.5	K96 F100 E101 K105 E139 E140	K96-K98 PolarHBondContact O-N 3.23Å; K98-F100 PolarHBondContact O-N 3.2Å; K98-E101 VanDerWaalsContact O-CB 3.22Å; K98-E101 WeakPolarHBondContact O-CB 3.44Å; K98-E101 PolarHBondContact O-N 3.41Å; K98-E101 VanDerWaalsContact O-N 3.09Å; K98-K105 WeakPolarHBondContact O-CD 3.3Å; K98-K105 VanDerWaalsContact O-CE 3.29Å; K98-K105 WeakPolarHBondContact O-CE 3.3Å; K98-K105 PolarHBondContact O-NZ 2.86Å; K98-E139 HydrophobicContact CB-CG 4.17Å; K98-E139 VanDerWaalsContact CB-OE1 3.28Å; K98-E139 WeakPolarHBondContact CB-OE1 3.33Å; K98-E139 HydrophobicContact CD-CG 3.5Å; K98-E139 VanDerWaalsContact CD-OE1 3.28Å; K98-E139 WeakPolarHBondContact CD-OE1 3.41Å; K98-E140 HydrophobicContact CD-CG 3.92Å; K98-E140 WeakPolarHBondContact CD-OE1 3.4Å; K98-E140 WeakPolarHBondContact CE-OE1 3.37Å; K98-E140 HydrophobicContact CG-CG 4.38Å; K98-E140 IonicContact NZ-OE1 3.25Å; K98-E140 PolarHBondContact NZ-OE1 2.97Å; K98-E140 VanDerWaalsContact NZ-OE1 3.1Å
99	V	98.6	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-55.9	-23.5	172.9	67.1	0	0	0	0	113	F85 V87 A97 T107 F136 T138 W143	F85-V99 HydrophobicContact CD1-CG2 3.83Å; F85-V99 HydrophobicContact CE1-CG2 4.01Å; V87-V99 WeakPolarHBondContact CG2-O 3.1Å; A97-V99 HydrophobicContact CB-CG1 4.12Å; A97-V99 PolarHBondContact O-N 3.26Å; A97-V99 VanDerWaalsContact O-N 3.1Å; V99-T107 HydrophobicContact CG2-CG2 4.22Å; V99-F136 HydrophobicContact CG2-CB 4.43Å; V99-F136 HydrophobicContact CG2-CD1 4.13Å; V99-T138 HydrophobicContact CB-CG2 3.88Å; V99-T138 HydrophobicContact CG2-CG2 4.2Å; V99-W143 HydrophobicContact CG1-CE3 3.89Å; V99-W143 HydrophobicContact CG1-CZ3 4.05Å; V99-W143 HydrophobicContact CG2-CE3 4.27Å; V99-W143 HydrophobicContact CG2-CZ3 4.43Å
100	F	98.6	Very high	98.5	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-110.2	11.6	179.8	-52.7	-52.6	0	0	0	114.4	F85 I91 C95 A97 K98 H102 W143 F280 V314 I344	F85-F100 AromaticContact CE1-CD1 3.82Å; F85-F100 HydrophobicContact CE1-CD1 3.82Å; F85-F100 AromaticContact CE1-CE1 3.78Å; F85-F100 HydrophobicContact CE1-CE1 3.78Å; F85-F100 AromaticContact CZ-CD1 3.95Å; F85-F100 HydrophobicContact CZ-CD1 3.95Å; F85-F100 AromaticContact CZ-CE1 3.72Å; F85-F100 HydrophobicContact CZ-CE1 3.72Å; I91-F100 HydrophobicContact CD1-CB 4.13Å; I91-F100 HydrophobicContact CD1-CD1 4.09Å; I91-F100 HydrophobicContact CD1-CD2 3.8Å; I91-F100 HydrophobicContact CD1-CE1 4.45Å; I91-F100 HydrophobicContact CD1-CE2 4.17Å; I91-F100 HydrophobicContact CD1-CG 3.75Å; I91-F100 HydrophobicContact CD1-CZ 4.47Å; I91-F100 HydrophobicContact CG1-CB 3.93Å; I91-F100 HydrophobicContact CG1-CD2 4.48Å; I91-F100 HydrophobicContact CG1-CG 4.12Å; C95-F100 HydrophobicContact CB-CD2 4.31Å; A97-F100 HydrophobicContact CB-CD2 4.22Å; A97-F100 PolarHBondContact O-N 3.05Å; K98-F100 PolarHBondContact O-N 3.2Å; F100-H102 PolarHBondContact O-N 2.88Å; F100-W143 HydrophobicContact CE1-CH2 4.36Å; F100-W143 HydrophobicContact CE1-CZ3 4.01Å; F100-W143 HydrophobicContact CE2-CH2 4.34Å; F100-W143 HydrophobicContact CE2-CZ3 4.27Å; F100-W143 HydrophobicContact CZ-CE3 4.47Å; F100-W143 AromaticContact CZ-CH2 3.54Å; F100-W143 HydrophobicContact CZ-CH2 3.54Å; F100-W143 AromaticContact CZ-CZ3 3.45Å; F100-W143 HydrophobicContact CZ-CZ3 3.45Å; F100-W143 VanDerWaalsContact CZ-CZ3 3.45Å; F100-F280 HydrophobicContact CZ-CE1 4.5Å; F100-V314 HydrophobicContact CD1-CG1 3.73Å; F100-V314 HydrophobicContact CE1-CG1 3.82Å; F100-I344 HydrophobicContact CE2-CD1 3.97Å
101	E	97.6	Very high	98.6	Very high	94 Å²	94	40.3 Å²	40.3	44%	0.439	21%	0.208	S	C	.	.	S	Bend	trans	-60.2	-39	-164.2	-177.7	176.9	-141.3	0	0	115.3	K98 K105	K98-E101 VanDerWaalsContact O-CB 3.22Å; K98-E101 WeakPolarHBondContact O-CB 3.44Å; K98-E101 PolarHBondContact O-N 3.41Å; K98-E101 VanDerWaalsContact O-N 3.09Å; E101-K105 HydrophobicContact CB-CD 4.2Å; E101-K105 IonicContact OE2-NZ 3.47Å; E101-K105 PolarHBondContact OE2-NZ 3.21Å
102	H	98.3	Very high	98.6	Very high	94 Å²	94	40.7 Å²	40.7	44%	0.435	21%	0.209	S	C	.	.	S	Bend	trans	-150.8	147.9	179.6	54.4	-90.1	0	0	0	111.2	V87 F100 K105	V87-H102 WeakPolarHBondContact CB-O 3.36Å; F100-H102 PolarHBondContact O-N 2.88Å; H102-K105 WeakPolarHBondContact O-CB 3.2Å; H102-K105 PolarHBondContact O-N 3.27Å; H102-K105 VanDerWaalsContact O-N 3.14Å
103	V	98.8	Very high	98.6	Very high	83 Å²	83	38.1 Å²	38.1	50%	0.503	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	137.4	172.9	177.5	0	0	0	0	109.9	V87 D90 K105	V87-V103 HydrophobicContact CG1-CG2 4.42Å; D90-V103 HydrophobicContact CB-CG2 4.36Å; V103-K105 VanDerWaalsContact C-N 3.32Å
104	G	98.3	Very high	98.6	Very high	41 Å²	41	30.9 Å²	30.9	42%	0.423	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-7	-173.5	0	0	0	0	0	114.3	V87 T106	V87-G104 PolarHBondContact O-N 3.4Å; G104-T106 PolarHBondContact O-N 3.34Å
105	K	98.6	Very high	98.6	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.078	16%	0.159	C	C	.	.			trans	-64.3	128.3	175	-170.4	172	-170.8	162.9	0	110.3	E86 V87 K98 E101 H102 V103 E139	E86-K105 WeakPolarHBondContact CA-O 3.47Å; V87-K105 HydrophobicContact CG2-CB 4.16Å; V87-K105 PolarHBondContact N-O 3.26Å; K98-K105 WeakPolarHBondContact O-CD 3.3Å; K98-K105 VanDerWaalsContact O-CE 3.29Å; K98-K105 WeakPolarHBondContact O-CE 3.3Å; K98-K105 PolarHBondContact O-NZ 2.86Å; E101-K105 HydrophobicContact CB-CD 4.2Å; E101-K105 IonicContact OE2-NZ 3.47Å; E101-K105 PolarHBondContact OE2-NZ 3.21Å; H102-K105 WeakPolarHBondContact O-CB 3.2Å; H102-K105 PolarHBondContact O-N 3.27Å; H102-K105 VanDerWaalsContact O-N 3.14Å; V103-K105 VanDerWaalsContact C-N 3.32Å; K105-E139 IonicContact NZ-OE1 2.81Å; K105-E139 PolarHBondContact NZ-OE1 2.83Å; K105-E139 IonicContact NZ-OE2 2.83Å
106	T	98.7	Very high	98.6	Very high	78 Å²	78	29.4 Å²	29.4	48%	0.479	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.2	172.9	56.9	0	0	0	0	111.5	Y84 F85 E86 G104	Y84-T106 HydrophobicContact CD2-CG2 4.23Å; F85-T106 CarbonylContact O-C 3.59Å; F85-T106 VanDerWaalsContact O-CA 3.25Å; F85-T106 WeakPolarHBondContact O-CA 3.49Å; E86-T106 HydrophobicContact CB-CG2 4.26Å; E86-T106 HydrophobicContact CG-CG2 4.26Å; G104-T106 PolarHBondContact O-N 3.34Å
107	T	98.9	Very high	98.5	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.7	178	-61	0	0	0	0	109	Y84 F85 V99 F136 Y137 T138	Y84-T107 CarbonylContact C-O 3.53Å; Y84-T107 VanDerWaalsContact CA-O 3.3Å; Y84-T107 WeakPolarHBondContact CA-O 3.38Å; F85-T107 PolarHBondContact N-O 3.09Å; F85-T107 PolarHBondContact O-N 2.99Å; V99-T107 HydrophobicContact CG2-CG2 4.22Å; T107-F136 HydrophobicContact CG2-CB 4.04Å; T107-Y137 WeakPolarHBondContact CG2-O 3.49Å; T107-T138 HydrophobicContact CG2-CG2 4.38Å
108	P	98.9	Very high	98.5	Very high	45 Å²	45	27.3 Å²	27.3	29%	0.292	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	142	174.8	-23.1	33.7	0	0	0	111.2	Y137 F380	P108-Y137 HydrophobicContact CB-CD2 4.08Å; P108-Y137 WeakPolarHBondContact O-CD2 3.5Å; P108-Y137 PolarHBondContact O-N 2.93Å; P108-F380 HydrophobicContact CB-CZ 4.26Å; P108-F380 HydrophobicContact CG-CZ 4.42Å
109	I	98.9	Very high	98.5	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.9	176.6	66.6	177.6	0	0	0	112.9	F82 G83 F85 V111 V134 K135 F136 L317 L319	F82-I109 WeakPolarHBondContact CA-O 3.24Å; G83-I109 PolarHBondContact N-O 3.39Å; G83-I109 PolarHBondContact O-N 3.13Å; F85-I109 HydrophobicContact CB-CG2 3.77Å; I109-V111 HydrophobicContact CD1-CG2 4.13Å; I109-V134 HydrophobicContact CB-CG1 4.22Å; I109-V134 HydrophobicContact CD1-CG1 4.41Å; I109-V134 HydrophobicContact CG2-CG1 4.28Å; I109-K135 CarbonylContact C-O 3.55Å; I109-K135 WeakPolarHBondContact CA-O 3.41Å; I109-K135 WeakPolarHBondContact CB-O 3.36Å; I109-F136 HydrophobicContact CG2-CB 4.45Å; I109-F136 HydrophobicContact CG2-CD1 3.54Å; I109-F136 HydrophobicContact CG2-CE1 4.01Å; I109-F136 HydrophobicContact CG2-CG 4.07Å; I109-L317 HydrophobicContact CD1-CB 4.26Å; I109-L317 HydrophobicContact CD1-CD2 3.64Å; I109-L319 HydrophobicContact CD1-CD2 4.1Å
110	A	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.8	163	0	0	0	0	0	109.2	F82 K135 Y137 L333	F82-A110 HydrophobicContact CD1-CB 3.49Å; F82-A110 VanDerWaalsContact CD1-CB 3.49Å; F82-A110 HydrophobicContact CE1-CB 3.4Å; F82-A110 HydrophobicContact CZ-CB 4.44Å; A110-K135 HydrophobicContact CB-CB 4.3Å; A110-K135 PolarHBondContact N-O 3.27Å; A110-K135 PolarHBondContact O-N 2.89Å; A110-Y137 HydrophobicContact CB-CE2 3.95Å; A110-L333 HydrophobicContact CB-CD1 4.08Å
111	V	98.9	Very high	98.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.5	-179.1	174.9	0	0	0	0	110	G80 A81 I109 F113 F132 A133 V134 L319	G80-V111 VanDerWaalsContact CA-O 3.22Å; G80-V111 WeakPolarHBondContact CA-O 3.29Å; A81-V111 PolarHBondContact N-O 2.81Å; A81-V111 PolarHBondContact O-N 2.83Å; I109-V111 HydrophobicContact CD1-CG2 4.13Å; V111-F113 HydrophobicContact CG1-CD1 4.48Å; V111-F113 HydrophobicContact CG1-CD2 4.1Å; V111-F113 HydrophobicContact CG1-CE1 4.08Å; V111-F113 HydrophobicContact CG1-CE2 3.61Å; V111-F113 HydrophobicContact CG1-CZ 3.61Å; V111-F132 HydrophobicContact CG1-CD1 3.81Å; V111-F132 HydrophobicContact CG1-CE1 3.59Å; V111-A133 VanDerWaalsContact CA-O 3.28Å; V111-A133 WeakPolarHBondContact CA-O 3.25Å; V111-V134 HydrophobicContact CG2-CB 4.28Å; V111-V134 HydrophobicContact CG2-CG1 3.94Å; V111-V134 HydrophobicContact CG2-CG2 3.98Å; V111-L319 HydrophobicContact CB-CD1 4.31Å; V111-L319 HydrophobicContact CB-CD2 3.91Å; V111-L319 HydrophobicContact CG1-CD1 4.34Å; V111-L319 HydrophobicContact CG2-CD2 3.66Å
112	R	98.9	Very high	98.5	Very high	8 Å²	8	29.2 Å²	29.2	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.8	168	-170.7	175.9	177.5	-83.9	5.1	110.7	H75 A76 A79 A133 V330 F335	H75-R112 PolarHBondContact O-NH1 3.38Å; H75-R112 PolarHBondContact O-NH2 3.01Å; A76-R112 PolarHBondContact O-NH2 2.71Å; A79-R112 CarbonylContact O-C 3.5Å; A79-R112 WeakPolarHBondContact O-CA 3.41Å; R112-A133 PolarHBondContact N-O 3.23Å; R112-A133 PolarHBondContact O-N 3.09Å; R112-V330 HydrophobicContact CG-CG1 4.22Å; R112-F335 HydrophobicContact CB-CE2 3.45Å; R112-F335 VanDerWaalsContact CB-CE2 3.45Å; R112-F335 HydrophobicContact CB-CZ 3.65Å; R112-F335 HydrophobicContact CG-CE2 4.47Å
113	F	98.9	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	154.5	169.6	-56.2	-77.5	0	0	0	110.5	G78 A79 V111 G131 F132 H209 M212 L266 W278 L319	G78-F113 CarbonylContact C-O 3.51Å; G78-F113 WeakPolarHBondContact CA-O 3.48Å; A79-F113 PolarHBondContact N-O 3.41Å; A79-F113 PolarHBondContact O-N 3.12Å; V111-F113 HydrophobicContact CG1-CD1 4.48Å; V111-F113 HydrophobicContact CG1-CD2 4.1Å; V111-F113 HydrophobicContact CG1-CE1 4.08Å; V111-F113 HydrophobicContact CG1-CE2 3.61Å; V111-F113 HydrophobicContact CG1-CZ 3.61Å; F113-G131 VanDerWaalsContact CA-O 3.26Å; F113-G131 WeakPolarHBondContact CA-O 3.41Å; F113-F132 HydrophobicContact CD1-CB 4.2Å; F113-F132 AromaticContact CD1-CD1 3.86Å; F113-F132 HydrophobicContact CD1-CD1 3.86Å; F113-F132 HydrophobicContact CD1-CD2 4.14Å; F113-F132 HydrophobicContact CD1-CE1 4.32Å; F113-F132 AromaticContact CD1-CG 3.76Å; F113-F132 HydrophobicContact CD1-CG 3.76Å; F113-F132 HydrophobicContact CE1-CB 4.35Å; F113-F132 AromaticContact CE1-CD1 3.34Å; F113-F132 HydrophobicContact CE1-CD1 3.34Å; F113-F132 AromaticContact CE1-CD2 3.53Å; F113-F132 HydrophobicContact CE1-CD2 3.53Å; F113-F132 AromaticContact CE1-CE1 3.38Å; F113-F132 HydrophobicContact CE1-CE1 3.38Å; F113-F132 AromaticContact CE1-CE2 3.56Å; F113-F132 HydrophobicContact CE1-CE2 3.56Å; F113-F132 AromaticContact CE1-CG 3.43Å; F113-F132 HydrophobicContact CE1-CG 3.43Å; F113-F132 VanDerWaalsContact CE1-CG 3.43Å; F113-F132 AromaticContact CE1-CZ 3.49Å; F113-F132 HydrophobicContact CE1-CZ 3.49Å; F113-F132 VanDerWaalsContact CE1-CZ 3.49Å; F113-F132 HydrophobicContact CZ-CD1 4.05Å; F113-F132 AromaticContact CZ-CE1 3.67Å; F113-F132 HydrophobicContact CZ-CE1 3.67Å; F113-F132 HydrophobicContact CZ-CE2 4.24Å; F113-F132 AromaticContact CZ-CZ 3.77Å; F113-F132 HydrophobicContact CZ-CZ 3.77Å; F113-H209 HydrophobicContact CB-CB 4.08Å; F113-H209 VanDerWaalsContact CB-CG 3.48Å; F113-H209 HydrophobicContact CD1-CB 3.99Å; F113-H209 HydrophobicContact CD2-CB 3.75Å; F113-H209 AromaticContact CD2-CG 3.94Å; F113-H209 HydrophobicContact CE1-CB 4.26Å; F113-H209 HydrophobicContact CE2-CB 4.1Å; F113-H209 HydrophobicContact CG-CB 3.67Å; F113-H209 AromaticContact CG-CG 3.67Å; F113-H209 HydrophobicContact CZ-CB 4.33Å; F113-M212 HydrophobicContact CB-CE 4.45Å; F113-M212 HydrophobicContact CD1-CE 3.26Å; F113-M212 HydrophobicContact CE1-CE 3.73Å; F113-M212 HydrophobicContact CG-CE 4.18Å; F113-L266 HydrophobicContact CD2-CD2 3.77Å; F113-L266 HydrophobicContact CE2-CD2 3.88Å; F113-W278 HydrophobicContact CE1-CH2 4.47Å; F113-W278 HydrophobicContact CE1-CZ2 4.35Å; F113-W278 HydrophobicContact CE2-CH2 4.5Å; F113-W278 AromaticContact CZ-CH2 3.68Å; F113-W278 HydrophobicContact CZ-CH2 3.68Å; F113-W278 AromaticContact CZ-CZ2 3.99Å; F113-W278 HydrophobicContact CZ-CZ2 3.99Å; F113-W278 HydrophobicContact CZ-CZ3 4.41Å; F113-L319 HydrophobicContact CE2-CD1 3.75Å; F113-L319 HydrophobicContact CZ-CD1 3.95Å
114	S	98.9	Very high	98.5	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.035	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	159.5	-179.6	47.6	0	0	0	0	112.8	H75 K77 R130 G131	H75-S114 WeakPolarHBondContact CB-OG 3.35Å; H75-S114 PolarHBondContact ND1-OG 2.96Å; K77-S114 WeakPolarHBondContact O-CA 3.5Å; K77-S114 WeakPolarHBondContact O-CB 3.02Å; S114-R130 CarbonylContact O-C 3.57Å; S114-R130 WeakPolarHBondContact O-CA 3.43Å; S114-R130 VanDerWaalsContact O-CD 3.32Å; S114-R130 WeakPolarHBondContact O-CD 3.4Å; S114-G131 PolarHBondContact N-O 3.08Å; S114-G131 PolarHBondContact O-N 3.4Å
115	T	98.8	Very high	98.5	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	14%	0.141	C	C	.	.			trans	-74.1	-166.2	155.4	55.4	0	0	0	0	109.3	H75 K77 V126	H75-T115 VanDerWaalsContact CA-O 3.24Å; H75-T115 WeakPolarHBondContact CA-O 3.38Å; H75-T115 WeakPolarHBondContact CB-O 3.39Å; H75-T115 VanDerWaalsContact CG-O 3.32Å; H75-T115 PolarHBondContact ND1-O 3.05Å; K77-T115 PolarHBondContact O-N 2.88Å; K77-T115 VanDerWaalsContact O-N 3.15Å; T115-V126 HydrophobicContact CG2-CG2 4.08Å
116	V	98.2	Very high	98.5	Very high	12 Å²	12	21.5 Å²	21.5	7%	0.073	15%	0.152	C	C	.	.	S	Bend	trans	-124	-58.3	-177.6	-167.7	0	0	0	0	112.4	V74 H75 D128 P129	V74-V116 HydrophobicContact CB-CG1 4.41Å; H75-V116 VanDerWaalsContact CE1-CG2 3.47Å; H75-V116 WeakPolarHBondContact CE1-CG2 3.18Å; H75-V116 PolarHBondContact N-O 3.25Å; V116-D128 WeakPolarHBondContact CA-OD2 3.34Å; V116-D128 PolarHBondContact N-OD2 3.25Å; V116-P129 HydrophobicContact CG2-CB 3.78Å; V116-P129 HydrophobicContact CG2-CG 4.01Å; V116-P129 WeakPolarHBondContact CG2-O 3.37Å
117	A	96.8	Very high	98.5	Very high	14 Å²	14	20.6 Å²	20.6	12%	0.116	14%	0.14	C	C	.	.	S	Bend	trans	-82.8	-39.9	-165.7	0	0	0	0	0	113.1	D128 Q168 K169	A117-D128 PolarHBondContact N-OD2 2.86Å; A117-Q168 HydrophobicContact CB-CB 4.18Å; A117-K169 PolarHBondContact O-NZ 2.91Å
118	G	96.6	Very high	98.4	Very high	9 Å²	9	21.1 Å²	21.1	9%	0.093	14%	0.142	C	C	.	.	S	Bend	trans	-66	148.9	-176	0	0	0	0	0	113.7	S122	G118-S122 WeakPolarHBondContact CA-OG 3.33Å
119	E	98.6	Very high	98.4	Very high	42 Å²	42	19.2 Å²	19.2	20%	0.196	13%	0.13	C	C	.	.			trans	-76.4	176.5	175.1	-56.2	78.2	-166.4	0	0	110.8	E71 G121 S122 R170 K177	E71-E119 WeakPolarHBondContact OE1-CA 3.28Å; E71-E119 WeakPolarHBondContact OE1-CB 2.92Å; E119-G121 PolarHBondContact O-N 3.43Å; E119-S122 VanDerWaalsContact O-CB 3.31Å; E119-S122 WeakPolarHBondContact O-CB 3.48Å; E119-S122 PolarHBondContact O-N 2.96Å; E119-S122 PolarHBondContact O-OG 3.5Å; E119-R170 VanDerWaalsContact CD-NE 3.3Å; E119-R170 VanDerWaalsContact CD-NH2 3.34Å; E119-R170 IonicContact OE1-CZ 2.79Å; E119-R170 IonicContact OE1-NE 2.68Å; E119-R170 PolarHBondContact OE1-NE 3.29Å; E119-R170 IonicContact OE1-NH2 2.76Å; E119-R170 IonicContact OE2-CZ 2.66Å; E119-R170 IonicContact OE2-NE 3.56Å; E119-R170 PolarHBondContact OE2-NE 2.97Å; E119-R170 IonicContact OE2-NH2 3.66Å; E119-R170 PolarHBondContact OE2-NH2 3.48Å; E119-K177 IonicContact OE1-NZ 3.77Å; E119-K177 IonicContact OE2-NZ 3.87Å
120	S	98.4	Very high	98.4	Very high	52 Å²	52	19.3 Å²	19.3	36%	0.364	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.5	-173	-59.4	0	0	0	0	115.1	E71 K77	E71-S120 WeakPolarHBondContact CB-OG 3.43Å; E71-S120 VanDerWaalsContact OE2-CB 3.29Å; E71-S120 WeakPolarHBondContact OE2-CB 3.23Å; E71-S120 PolarHBondContact OE2-N 3.5Å; E71-S120 PolarHBondContact OE2-OG 3.23Å; K77-S120 WeakPolarHBondContact CD-O 3.08Å
121	G	98.2	Very high	98.4	Very high	78 Å²	78	19.6 Å²	19.6	80%	0.804	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	7.8	178	0	0	0	0	0	115.1	E119	E119-G121 PolarHBondContact O-N 3.43Å
122	S	98.6	Very high	98.4	Very high	25 Å²	25	19.5 Å²	19.5	18%	0.175	13%	0.132	C	C	.	.	S	Bend	trans	-74.6	164.7	177.9	63.9	0	0	0	0	112.5	K77 G118 E119	K77-S122 WeakPolarHBondContact CD-O 3.47Å; K77-S122 PolarHBondContact NZ-O 3.19Å; G118-S122 WeakPolarHBondContact CA-OG 3.33Å; E119-S122 VanDerWaalsContact O-CB 3.31Å; E119-S122 WeakPolarHBondContact O-CB 3.48Å; E119-S122 PolarHBondContact O-N 2.96Å; E119-S122 PolarHBondContact O-OG 3.5Å
123	A	98.8	Very high	98.4	Very high	14 Å²	14	19.8 Å²	19.8	12%	0.116	14%	0.136	C	C	.	.			trans	-80.7	147.6	179.1	0	0	0	0	0	113.1	V126 A255 P259	A123-V126 HydrophobicContact CB-CG1 4.06Å; A123-V126 WeakPolarHBondContact O-CG2 3.4Å; A123-A255 HydrophobicContact CB-CB 3.65Å; A123-P259 CarbonylContact C-O 3.55Å; A123-P259 WeakPolarHBondContact CA-O 3.45Å; A123-P259 HydrophobicContact CB-CB 4.01Å
124	D	98.6	Very high	98.4	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-73	-35.1	179.4	-69.6	-8.8	0	0	0	113	K77 V126 R130 P259 D260 Y261 A262 I263	K77-D124 VanDerWaalsContact CE-OD1 3.28Å; K77-D124 WeakPolarHBondContact CE-OD1 3.49Å; K77-D124 WeakPolarHBondContact CG-OD1 3.42Å; K77-D124 IonicContact NZ-OD1 2.7Å; K77-D124 PolarHBondContact NZ-OD1 2.82Å; D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.47Å; D124-V126 VanDerWaalsContact O-N 3.16Å; D124-R130 PolarHBondContact O-NH2 2.79Å; D124-P259 VanDerWaalsContact CG-O 3.31Å; D124-P259 PolarHBondContact N-O 2.77Å; D124-D260 WeakPolarHBondContact OD2-CA 3.38Å; D124-Y261 PolarHBondContact OD2-N 3.12Å; D124-A262 HydrophobicContact CB-CB 3.86Å; D124-A262 WeakPolarHBondContact OD2-CB 3.3Å; D124-A262 PolarHBondContact OD2-N 2.81Å; D124-I263 PolarHBondContact OD2-N 2.87Å
125	T	98.3	Very high	98.4	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.025	14%	0.135	C	C	.	.	S	Bend	trans	-91.6	49.5	-172.8	56.1	0	0	0	0	112.1	L246 A251 L254 A255 Y261	T125-L246 HydrophobicContact CG2-CD1 3.58Å; T125-A251 WeakPolarHBondContact O-CB 3.48Å; T125-A251 PolarHBondContact OG1-O 3.4Å; T125-L254 HydrophobicContact CG2-CB 3.96Å; T125-L254 HydrophobicContact CG2-CD1 4.19Å; T125-L254 WeakPolarHBondContact OG1-CB 3.15Å; T125-A255 WeakPolarHBondContact OG1-CA 3.21Å; T125-A255 PolarHBondContact OG1-N 3.14Å; T125-Y261 HydrophobicContact CG2-CD1 3.73Å; T125-Y261 HydrophobicContact CG2-CG 4.02Å
126	V	98	Very high	98.4	Very high	51 Å²	51	19.4 Å²	19.4	31%	0.309	13%	0.134	S	C	.	.	S	Bend	trans	-110.6	152.5	176.2	-61	0	0	0	0	111.5	T115 A123 D124 D128 R130	T115-V126 HydrophobicContact CG2-CG2 4.08Å; A123-V126 HydrophobicContact CB-CG1 4.06Å; A123-V126 WeakPolarHBondContact O-CG2 3.4Å; D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.47Å; D124-V126 VanDerWaalsContact O-N 3.16Å; V126-D128 HydrophobicContact CG2-CB 4.43Å; V126-D128 PolarHBondContact O-N 3.43Å; V126-D128 VanDerWaalsContact O-N 3.1Å; V126-R130 PolarHBondContact O-NH1 3.48Å; V126-R130 PolarHBondContact O-NH2 3.31Å
127	R	98.5	Very high	98.4	Very high	59 Å²	59	19.3 Å²	19.3	22%	0.223	13%	0.132	C	C	.	.	S	Bend	trans	-69.4	110	177.7	-176.9	176.9	-61	-76.4	-1.6	109.4	L199 F200 S201 G204 L205 N463	R127-L199 HydrophobicContact CG-CD1 3.9Å; R127-L199 HydrophobicContact CG-CG 4.13Å; R127-L199 PolarHBondContact NH1-O 2.83Å; R127-F200 VanDerWaalsContact CD-CD1 3.47Å; R127-S201 PolarHBondContact NH1-O 3.48Å; R127-G204 WeakPolarHBondContact CA-O 3.34Å; R127-L205 HydrophobicContact CB-CD2 4.05Å; R127-L205 HydrophobicContact CB-CG 4.37Å; R127-L205 VanDerWaalsContact N-CD2 3.31Å; R127-N463 PolarHBondContact NH2-ND2 2.81Å; R127-N463 VanDerWaalsContact NH2-ND2 3.1Å; R127-N463 PolarHBondContact NH2-OD1 3.25Å
128	D	98.4	Very high	98.5	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.08	13%	0.127	C	C	.	.	S	Bend	trans	-164.6	157	-175.9	-146.4	2.5	0	0	0	107.8	V116 A117 V126 R130 L199 G204	V116-D128 WeakPolarHBondContact CA-OD2 3.34Å; V116-D128 PolarHBondContact N-OD2 3.25Å; A117-D128 PolarHBondContact N-OD2 2.86Å; V126-D128 HydrophobicContact CG2-CB 4.43Å; V126-D128 PolarHBondContact O-N 3.43Å; V126-D128 VanDerWaalsContact O-N 3.1Å; D128-R130 PolarHBondContact O-NH1 3.06Å; D128-L199 VanDerWaalsContact C-CD1 3.46Å; D128-G204 PolarHBondContact N-O 3.12Å
129	P	98.5	Very high	98.6	Very high	4 Å²	4	21 Å²	21	3%	0.026	14%	0.135	C	C	.	.			trans	-58.3	163.8	160.8	-18	31.5	0	0	0	110.4	V116 F154 L199	V116-P129 HydrophobicContact CG2-CB 3.78Å; V116-P129 HydrophobicContact CG2-CG 4.01Å; V116-P129 WeakPolarHBondContact CG2-O 3.37Å; P129-F154 HydrophobicContact CG-CE2 3.66Å; P129-F154 HydrophobicContact CG-CZ 3.73Å; P129-L199 HydrophobicContact CG-CD1 4.45Å
130	R	98.8	Very high	98.6	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.019	14%	0.136	C	C	.	.			trans	-115.8	127.4	170.3	-62.7	-64.6	-175.4	-83.3	1.9	110.6	S114 D124 V126 D128 N148 N149 P206 M212	S114-R130 CarbonylContact O-C 3.57Å; S114-R130 WeakPolarHBondContact O-CA 3.43Å; S114-R130 VanDerWaalsContact O-CD 3.32Å; S114-R130 WeakPolarHBondContact O-CD 3.4Å; D124-R130 PolarHBondContact O-NH2 2.79Å; V126-R130 PolarHBondContact O-NH1 3.48Å; V126-R130 PolarHBondContact O-NH2 3.31Å; D128-R130 PolarHBondContact O-NH1 3.06Å; R130-N148 CarbonylContact O-C 3.53Å; R130-N148 WeakPolarHBondContact O-CA 3.44Å; R130-N148 PolarHBondContact O-OD1 3.33Å; R130-N149 HydrophobicContact CB-CB 3.98Å; R130-N149 PolarHBondContact N-OD1 2.99Å; R130-N149 PolarHBondContact O-N 3.43Å; R130-P206 HydrophobicContact CG-CG 3.78Å; R130-M212 HydrophobicContact CB-CE 3.78Å; R130-M212 HydrophobicContact CB-SD 3.44Å; R130-M212 WeakPolarHBondContact CB-SD 3.48Å; R130-M212 HydrophobicContact CG-CE 4.4Å; R130-M212 HydrophobicContact CG-SD 3.67Å
131	G	98.7	Very high	98.6	Very high	5 Å²	5	19.4 Å²	19.4	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.7	165.7	0	0	0	0	0	109.8	F113 S114 N148	F113-G131 VanDerWaalsContact CA-O 3.26Å; F113-G131 WeakPolarHBondContact CA-O 3.41Å; S114-G131 PolarHBondContact N-O 3.08Å; S114-G131 PolarHBondContact O-N 3.4Å; G131-N148 VanDerWaalsContact CA-OD1 3.3Å; G131-N148 WeakPolarHBondContact CA-OD1 3.34Å
132	F	98.8	Very high	98.6	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	78	173.7	-166.2	-19.1	0	0	0	107.9	V111 F113 V134 G147 M212 Y236 W278	V111-F132 HydrophobicContact CG1-CD1 3.81Å; V111-F132 HydrophobicContact CG1-CE1 3.59Å; F113-F132 HydrophobicContact CD1-CB 4.2Å; F113-F132 AromaticContact CD1-CD1 3.86Å; F113-F132 HydrophobicContact CD1-CD1 3.86Å; F113-F132 HydrophobicContact CD1-CD2 4.14Å; F113-F132 HydrophobicContact CD1-CE1 4.32Å; F113-F132 AromaticContact CD1-CG 3.76Å; F113-F132 HydrophobicContact CD1-CG 3.76Å; F113-F132 HydrophobicContact CE1-CB 4.35Å; F113-F132 AromaticContact CE1-CD1 3.34Å; F113-F132 HydrophobicContact CE1-CD1 3.34Å; F113-F132 AromaticContact CE1-CD2 3.53Å; F113-F132 HydrophobicContact CE1-CD2 3.53Å; F113-F132 AromaticContact CE1-CE1 3.38Å; F113-F132 HydrophobicContact CE1-CE1 3.38Å; F113-F132 AromaticContact CE1-CE2 3.56Å; F113-F132 HydrophobicContact CE1-CE2 3.56Å; F113-F132 AromaticContact CE1-CG 3.43Å; F113-F132 HydrophobicContact CE1-CG 3.43Å; F113-F132 VanDerWaalsContact CE1-CG 3.43Å; F113-F132 AromaticContact CE1-CZ 3.49Å; F113-F132 HydrophobicContact CE1-CZ 3.49Å; F113-F132 VanDerWaalsContact CE1-CZ 3.49Å; F113-F132 HydrophobicContact CZ-CD1 4.05Å; F113-F132 AromaticContact CZ-CE1 3.67Å; F113-F132 HydrophobicContact CZ-CE1 3.67Å; F113-F132 HydrophobicContact CZ-CE2 4.24Å; F113-F132 AromaticContact CZ-CZ 3.77Å; F113-F132 HydrophobicContact CZ-CZ 3.77Å; F132-V134 HydrophobicContact CD1-CG2 4.09Å; F132-V134 HydrophobicContact CE1-CG2 3.93Å; F132-G147 CarbonylContact C-O 3.49Å; F132-G147 PolarHBondContact N-O 2.94Å; F132-G147 CarbonylContact O-C 3.42Å; F132-G147 WeakPolarHBondContact O-CA 3.49Å; F132-G147 PolarHBondContact O-N 3.02Å; F132-M212 HydrophobicContact CD2-CE 4.21Å; F132-Y236 HydrophobicContact CB-CE2 4.17Å; F132-Y236 HydrophobicContact CD1-CD2 4.4Å; F132-Y236 AromaticContact CD1-CE2 3.59Å; F132-Y236 HydrophobicContact CD1-CE2 3.59Å; F132-Y236 AromaticContact CD2-CD2 3.87Å; F132-Y236 HydrophobicContact CD2-CD2 3.87Å; F132-Y236 AromaticContact CD2-CE2 3.39Å; F132-Y236 HydrophobicContact CD2-CE2 3.39Å; F132-Y236 HydrophobicContact CE1-CD2 4.03Å; F132-Y236 AromaticContact CE1-CE2 3.64Å; F132-Y236 HydrophobicContact CE1-CE2 3.64Å; F132-Y236 AromaticContact CE2-CD2 3.45Å; F132-Y236 HydrophobicContact CE2-CD2 3.45Å; F132-Y236 VanDerWaalsContact CE2-CD2 3.45Å; F132-Y236 AromaticContact CE2-CE2 3.45Å; F132-Y236 HydrophobicContact CE2-CE2 3.45Å; F132-Y236 VanDerWaalsContact CE2-CE2 3.45Å; F132-Y236 HydrophobicContact CG-CD2 4.33Å; F132-Y236 AromaticContact CG-CE2 3.46Å; F132-Y236 HydrophobicContact CG-CE2 3.46Å; F132-Y236 VanDerWaalsContact CG-CE2 3.46Å; F132-Y236 AromaticContact CZ-CD2 3.55Å; F132-Y236 HydrophobicContact CZ-CD2 3.55Å; F132-Y236 AromaticContact CZ-CE2 3.58Å; F132-Y236 HydrophobicContact CZ-CE2 3.58Å; F132-Y236 PolarHBondContact O-OH 3.22Å; F132-W278 HydrophobicContact CE2-CD2 4.14Å; F132-W278 AromaticContact CE2-CE2 3.67Å; F132-W278 HydrophobicContact CE2-CG 4.36Å; F132-W278 HydrophobicContact CE2-CZ2 4.04Å; F132-W278 AromaticContact CE2-NE1 3.59Å; F132-W278 AromaticContact CZ-CD2 3.79Å; F132-W278 HydrophobicContact CZ-CD2 3.79Å; F132-W278 AromaticContact CZ-CE2 3.7Å; F132-W278 HydrophobicContact CZ-CE3 4.14Å; F132-W278 HydrophobicContact CZ-CG 4.22Å; F132-W278 HydrophobicContact CZ-CH2 4.35Å; F132-W278 AromaticContact CZ-CZ2 3.98Å; F132-W278 HydrophobicContact CZ-CZ2 3.98Å; F132-W278 HydrophobicContact CZ-CZ3 4.42Å
133	A	98.9	Very high	98.6	Very high	14 Å²	14	15.2 Å²	15.2	12%	0.116	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.3	-178.9	0	0	0	0	0	111	V111 R112 T146 F335	V111-A133 VanDerWaalsContact CA-O 3.28Å; V111-A133 WeakPolarHBondContact CA-O 3.25Å; R112-A133 PolarHBondContact N-O 3.23Å; R112-A133 PolarHBondContact O-N 3.09Å; A133-T146 HydrophobicContact CB-CG2 4.45Å; A133-F335 HydrophobicContact CB-CB 4.28Å; A133-F335 HydrophobicContact CB-CD1 3.86Å; A133-F335 HydrophobicContact CB-CD2 3.78Å; A133-F335 HydrophobicContact CB-CE1 4.02Å; A133-F335 HydrophobicContact CB-CE2 3.95Å; A133-F335 HydrophobicContact CB-CG 3.74Å; A133-F335 HydrophobicContact CB-CZ 4.05Å
134	V	98.9	Very high	98.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.3	180	-171.1	0	0	0	0	109.4	I109 V111 F132 F136 D144 L145 Y236 L317	I109-V134 HydrophobicContact CB-CG1 4.22Å; I109-V134 HydrophobicContact CD1-CG1 4.41Å; I109-V134 HydrophobicContact CG2-CG1 4.28Å; V111-V134 HydrophobicContact CG2-CB 4.28Å; V111-V134 HydrophobicContact CG2-CG1 3.94Å; V111-V134 HydrophobicContact CG2-CG2 3.98Å; F132-V134 HydrophobicContact CD1-CG2 4.09Å; F132-V134 HydrophobicContact CE1-CG2 3.93Å; V134-F136 HydrophobicContact CB-CE2 3.84Å; V134-F136 HydrophobicContact CB-CZ 4.17Å; V134-F136 HydrophobicContact CG1-CD2 4.04Å; V134-F136 HydrophobicContact CG1-CE1 4.11Å; V134-F136 HydrophobicContact CG1-CE2 3.49Å; V134-F136 VanDerWaalsContact CG1-CE2 3.49Å; V134-F136 HydrophobicContact CG1-CZ 3.53Å; V134-D144 CarbonylContact O-C 3.58Å; V134-D144 WeakPolarHBondContact O-CA 3.33Å; V134-L145 PolarHBondContact N-O 2.87Å; V134-L145 PolarHBondContact O-N 2.87Å; V134-Y236 HydrophobicContact CG2-CE2 4.47Å; V134-L317 HydrophobicContact CG1-CD2 4.22Å; V134-L317 HydrophobicContact CG2-CD1 4.39Å
135	K	98.9	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.7	171	176.1	174.4	-57.2	-65.8	0	108.3	I109 A110 Y137 N142 W143 D144 L333 A334 F335	I109-K135 CarbonylContact C-O 3.55Å; I109-K135 WeakPolarHBondContact CA-O 3.41Å; I109-K135 WeakPolarHBondContact CB-O 3.36Å; A110-K135 HydrophobicContact CB-CB 4.3Å; A110-K135 PolarHBondContact N-O 3.27Å; A110-K135 PolarHBondContact O-N 2.89Å; K135-Y137 HydrophobicContact CD-CD1 4.33Å; K135-Y137 HydrophobicContact CD-CE1 3.57Å; K135-Y137 HydrophobicContact CD-CE2 4.33Å; K135-Y137 HydrophobicContact CG-CD1 4.5Å; K135-Y137 HydrophobicContact CG-CE1 4.13Å; K135-Y137 HydrophobicContact CG-CE2 4.32Å; K135-N142 HydrophobicContact CG-CB 4.41Å; K135-W143 CarbonylContact C-O 3.58Å; K135-W143 WeakPolarHBondContact CA-O 3.3Å; K135-D144 WeakPolarHBondContact CA-OD1 3.39Å; K135-D144 WeakPolarHBondContact CB-OD1 3.32Å; K135-D144 WeakPolarHBondContact CE-OD1 3.48Å; K135-D144 WeakPolarHBondContact CG-OD1 3.48Å; K135-D144 IonicContact NZ-OD1 3.26Å; K135-D144 PolarHBondContact NZ-OD1 3.11Å; K135-D144 IonicContact NZ-OD2 3.53Å; K135-D144 PolarHBondContact NZ-OD2 2.89Å; K135-L333 HydrophobicContact CD-CD2 4.49Å; K135-A334 WeakPolarHBondContact CE-O 3.31Å; K135-A334 PolarHBondContact NZ-O 2.75Å; K135-F335 HydrophobicContact CB-CD1 3.79Å; K135-F335 HydrophobicContact CB-CE1 3.66Å
136	F	98.9	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121	174.8	-53.4	-106.2	0	0	0	108.5	F85 V99 T107 I109 V134 T138 N142 W143 L145 F280 L317	F85-F136 HydrophobicContact CB-CD1 3.78Å; F85-F136 HydrophobicContact CB-CE1 3.68Å; F85-F136 HydrophobicContact CD1-CD1 4.2Å; F85-F136 HydrophobicContact CD1-CE1 4.1Å; F85-F136 HydrophobicContact CD2-CE1 4.02Å; F85-F136 HydrophobicContact CG-CD1 4.03Å; F85-F136 AromaticContact CG-CE1 3.66Å; F85-F136 HydrophobicContact CG-CE1 3.66Å; V99-F136 HydrophobicContact CG2-CB 4.43Å; V99-F136 HydrophobicContact CG2-CD1 4.13Å; T107-F136 HydrophobicContact CG2-CB 4.04Å; I109-F136 HydrophobicContact CG2-CB 4.45Å; I109-F136 HydrophobicContact CG2-CD1 3.54Å; I109-F136 HydrophobicContact CG2-CE1 4.01Å; I109-F136 HydrophobicContact CG2-CG 4.07Å; V134-F136 HydrophobicContact CB-CE2 3.84Å; V134-F136 HydrophobicContact CB-CZ 4.17Å; V134-F136 HydrophobicContact CG1-CD2 4.04Å; V134-F136 HydrophobicContact CG1-CE1 4.11Å; V134-F136 HydrophobicContact CG1-CE2 3.49Å; V134-F136 VanDerWaalsContact CG1-CE2 3.49Å; V134-F136 HydrophobicContact CG1-CZ 3.53Å; F136-T138 HydrophobicContact CB-CG2 4.07Å; F136-T138 PolarHBondContact O-N 3.15Å; F136-T138 VanDerWaalsContact O-N 3.13Å; F136-N142 WeakPolarHBondContact O-CA 3.39Å; F136-W143 HydrophobicContact CB-CB 4.21Å; F136-W143 HydrophobicContact CB-CE3 4.17Å; F136-W143 HydrophobicContact CD1-CE3 4.13Å; F136-W143 HydrophobicContact CD1-CZ3 4.19Å; F136-W143 HydrophobicContact CD2-CB 4.3Å; F136-W143 AromaticContact CD2-CD2 3.71Å; F136-W143 HydrophobicContact CD2-CD2 3.71Å; F136-W143 AromaticContact CD2-CE3 3.32Å; F136-W143 HydrophobicContact CD2-CE3 3.32Å; F136-W143 HydrophobicContact CD2-CG 4.18Å; F136-W143 AromaticContact CD2-CZ3 3.8Å; F136-W143 HydrophobicContact CD2-CZ3 3.8Å; F136-W143 WeakPolarHBondContact CD2-O 3.47Å; F136-W143 HydrophobicContact CE1-CE3 4.34Å; F136-W143 AromaticContact CE1-CZ3 3.98Å; F136-W143 HydrophobicContact CE1-CZ3 3.98Å; F136-W143 HydrophobicContact CE2-CD2 4.02Å; F136-W143 AromaticContact CE2-CE3 3.6Å; F136-W143 HydrophobicContact CE2-CE3 3.6Å; F136-W143 AromaticContact CE2-CH2 4Å; F136-W143 HydrophobicContact CE2-CH2 4Å; F136-W143 HydrophobicContact CE2-CZ2 4.4Å; F136-W143 AromaticContact CE2-CZ3 3.59Å; F136-W143 HydrophobicContact CE2-CZ3 3.59Å; F136-W143 HydrophobicContact CG-CD2 4.37Å; F136-W143 AromaticContact CG-CE3 3.63Å; F136-W143 HydrophobicContact CG-CE3 3.63Å; F136-W143 HydrophobicContact CG-CZ3 4.12Å; F136-W143 HydrophobicContact CZ-CE3 4.11Å; F136-W143 HydrophobicContact CZ-CH2 4.12Å; F136-W143 AromaticContact CZ-CZ3 3.68Å; F136-W143 HydrophobicContact CZ-CZ3 3.68Å; F136-W143 PolarHBondContact N-O 2.87Å; F136-W143 PolarHBondContact O-N 3.49Å; F136-L145 HydrophobicContact CE2-CB 4.04Å; F136-F280 HydrophobicContact CZ-CE2 4.49Å; F136-L317 HydrophobicContact CE1-CD2 3.77Å; F136-L317 HydrophobicContact CZ-CD2 4.05Å
137	Y	98.9	Very high	98.6	Very high	10 Å²	10	12.4 Å²	12.4	4%	0.039	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	83.8	178.2	-58.7	-85.2	0	0	0	109.6	T107 P108 A110 K135 N142 V376 F380 R381	T107-Y137 WeakPolarHBondContact CG2-O 3.49Å; P108-Y137 HydrophobicContact CB-CD2 4.08Å; P108-Y137 WeakPolarHBondContact O-CD2 3.5Å; P108-Y137 PolarHBondContact O-N 2.93Å; A110-Y137 HydrophobicContact CB-CE2 3.95Å; K135-Y137 HydrophobicContact CD-CD1 4.33Å; K135-Y137 HydrophobicContact CD-CE1 3.57Å; K135-Y137 HydrophobicContact CD-CE2 4.33Å; K135-Y137 HydrophobicContact CG-CD1 4.5Å; K135-Y137 HydrophobicContact CG-CE1 4.13Å; K135-Y137 HydrophobicContact CG-CE2 4.32Å; Y137-N142 WeakPolarHBondContact CD1-OD1 3.27Å; Y137-V376 WeakPolarHBondContact CE1-O 3.32Å; Y137-V376 PolarHBondContact OH-O 3.15Å; Y137-F380 AromaticContact CD1-CD1 3.56Å; Y137-F380 HydrophobicContact CD1-CD1 3.56Å; Y137-F380 AromaticContact CD1-CE1 3.26Å; Y137-F380 HydrophobicContact CD1-CE1 3.26Å; Y137-F380 HydrophobicContact CD1-CZ 4.24Å; Y137-F380 AromaticContact CD2-CE1 3.71Å; Y137-F380 HydrophobicContact CD2-CE1 3.71Å; Y137-F380 HydrophobicContact CD2-CZ 4.14Å; Y137-F380 AromaticContact CE1-CD1 3.89Å; Y137-F380 HydrophobicContact CE1-CD1 3.89Å; Y137-F380 AromaticContact CE1-CE1 3.63Å; Y137-F380 HydrophobicContact CE1-CE1 3.63Å; Y137-F380 HydrophobicContact CE2-CE1 4.04Å; Y137-F380 HydrophobicContact CG-CD1 4.04Å; Y137-F380 AromaticContact CG-CE1 3.3Å; Y137-F380 HydrophobicContact CG-CE1 3.3Å; Y137-F380 AromaticContact CG-CZ 3.85Å; Y137-F380 HydrophobicContact CG-CZ 3.85Å; Y137-R381 WeakPolarHBondContact O-CG 3.39Å
138	T	98.8	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	162.2	-178.6	93.7	0	0	0	0	111.2	V99 T107 F136 E140 G141 W143 R381	V99-T138 HydrophobicContact CB-CG2 3.88Å; V99-T138 HydrophobicContact CG2-CG2 4.2Å; T107-T138 HydrophobicContact CG2-CG2 4.38Å; F136-T138 HydrophobicContact CB-CG2 4.07Å; F136-T138 PolarHBondContact O-N 3.15Å; F136-T138 VanDerWaalsContact O-N 3.13Å; T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 PolarHBondContact OG1-N 2.85Å; T138-E140 VanDerWaalsContact OG1-N 3.09Å; T138-G141 WeakPolarHBondContact CB-O 3.41Å; T138-G141 PolarHBondContact N-O 2.78Å; T138-G141 PolarHBondContact O-N 2.81Å; T138-G141 PolarHBondContact OG1-N 3.28Å; T138-G141 PolarHBondContact OG1-O 3.37Å; T138-W143 HydrophobicContact CG2-CB 4.29Å; T138-R381 WeakPolarHBondContact O-CB 3.41Å
139	E	97.9	Very high	98.6	Very high	58 Å²	58	9.8 Å²	9.8	27%	0.271	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.7	173.2	63	-95.2	-136.7	0	0	114.2	K98 K105 R381	K98-E139 HydrophobicContact CB-CG 4.17Å; K98-E139 VanDerWaalsContact CB-OE1 3.28Å; K98-E139 WeakPolarHBondContact CB-OE1 3.33Å; K98-E139 HydrophobicContact CD-CG 3.5Å; K98-E139 VanDerWaalsContact CD-OE1 3.28Å; K98-E139 WeakPolarHBondContact CD-OE1 3.41Å; K105-E139 IonicContact NZ-OE1 2.81Å; K105-E139 PolarHBondContact NZ-OE1 2.83Å; K105-E139 IonicContact NZ-OE2 2.83Å; E139-R381 WeakPolarHBondContact CA-O 3.46Å
140	E	98	Very high	98.6	Very high	45 Å²	45	9.6 Å²	9.6	21%	0.21	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	24	174.9	-73.2	-178	168.6	0	0	111.9	K98 T138 P341	K98-E140 HydrophobicContact CD-CG 3.92Å; K98-E140 WeakPolarHBondContact CD-OE1 3.4Å; K98-E140 WeakPolarHBondContact CE-OE1 3.37Å; K98-E140 HydrophobicContact CG-CG 4.38Å; K98-E140 IonicContact NZ-OE1 3.25Å; K98-E140 PolarHBondContact NZ-OE1 2.97Å; K98-E140 VanDerWaalsContact NZ-OE1 3.1Å; T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 PolarHBondContact OG1-N 2.85Å; T138-E140 VanDerWaalsContact OG1-N 3.09Å; E140-P341 HydrophobicContact CB-CB 4.19Å
141	G	98.6	Very high	98.6	Very high	15 Å²	15	10.7 Å²	10.7	16%	0.155	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.9	178	-179.1	0	0	0	0	0	112.3	T138	T138-G141 WeakPolarHBondContact CB-O 3.41Å; T138-G141 PolarHBondContact N-O 2.78Å; T138-G141 PolarHBondContact O-N 2.81Å; T138-G141 PolarHBondContact OG1-N 3.28Å; T138-G141 PolarHBondContact OG1-O 3.37Å
142	N	98.9	Very high	98.6	Very high	14 Å²	14	10.5 Å²	10.5	8%	0.075	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.7	175.7	-70.6	-17.6	0	0	0	110.1	K135 F136 Y137 N377 P379	K135-N142 HydrophobicContact CG-CB 4.41Å; F136-N142 WeakPolarHBondContact O-CA 3.39Å; Y137-N142 WeakPolarHBondContact CD1-OD1 3.27Å; N142-N377 PolarHBondContact ND2-O 3.02Å; N142-P379 WeakPolarHBondContact OD1-CA 3.49Å
143	W	98.9	Very high	98.6	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	162.1	173.6	30.8	0	0	0	108.5	V99 F100 K135 F136 T138 L145 F234 F280 N339 P341 I344	V99-W143 HydrophobicContact CG1-CE3 3.89Å; V99-W143 HydrophobicContact CG1-CZ3 4.05Å; V99-W143 HydrophobicContact CG2-CE3 4.27Å; V99-W143 HydrophobicContact CG2-CZ3 4.43Å; F100-W143 HydrophobicContact CE1-CH2 4.36Å; F100-W143 HydrophobicContact CE1-CZ3 4.01Å; F100-W143 HydrophobicContact CE2-CH2 4.34Å; F100-W143 HydrophobicContact CE2-CZ3 4.27Å; F100-W143 HydrophobicContact CZ-CE3 4.47Å; F100-W143 AromaticContact CZ-CH2 3.54Å; F100-W143 HydrophobicContact CZ-CH2 3.54Å; F100-W143 AromaticContact CZ-CZ3 3.45Å; F100-W143 HydrophobicContact CZ-CZ3 3.45Å; F100-W143 VanDerWaalsContact CZ-CZ3 3.45Å; K135-W143 CarbonylContact C-O 3.58Å; K135-W143 WeakPolarHBondContact CA-O 3.3Å; F136-W143 HydrophobicContact CB-CB 4.21Å; F136-W143 HydrophobicContact CB-CE3 4.17Å; F136-W143 HydrophobicContact CD1-CE3 4.13Å; F136-W143 HydrophobicContact CD1-CZ3 4.19Å; F136-W143 HydrophobicContact CD2-CB 4.3Å; F136-W143 AromaticContact CD2-CD2 3.71Å; F136-W143 HydrophobicContact CD2-CD2 3.71Å; F136-W143 AromaticContact CD2-CE3 3.32Å; F136-W143 HydrophobicContact CD2-CE3 3.32Å; F136-W143 HydrophobicContact CD2-CG 4.18Å; F136-W143 AromaticContact CD2-CZ3 3.8Å; F136-W143 HydrophobicContact CD2-CZ3 3.8Å; F136-W143 WeakPolarHBondContact CD2-O 3.47Å; F136-W143 HydrophobicContact CE1-CE3 4.34Å; F136-W143 AromaticContact CE1-CZ3 3.98Å; F136-W143 HydrophobicContact CE1-CZ3 3.98Å; F136-W143 HydrophobicContact CE2-CD2 4.02Å; F136-W143 AromaticContact CE2-CE3 3.6Å; F136-W143 HydrophobicContact CE2-CE3 3.6Å; F136-W143 AromaticContact CE2-CH2 4Å; F136-W143 HydrophobicContact CE2-CH2 4Å; F136-W143 HydrophobicContact CE2-CZ2 4.4Å; F136-W143 AromaticContact CE2-CZ3 3.59Å; F136-W143 HydrophobicContact CE2-CZ3 3.59Å; F136-W143 HydrophobicContact CG-CD2 4.37Å; F136-W143 AromaticContact CG-CE3 3.63Å; F136-W143 HydrophobicContact CG-CE3 3.63Å; F136-W143 HydrophobicContact CG-CZ3 4.12Å; F136-W143 HydrophobicContact CZ-CE3 4.11Å; F136-W143 HydrophobicContact CZ-CH2 4.12Å; F136-W143 AromaticContact CZ-CZ3 3.68Å; F136-W143 HydrophobicContact CZ-CZ3 3.68Å; F136-W143 PolarHBondContact N-O 2.87Å; F136-W143 PolarHBondContact O-N 3.49Å; T138-W143 HydrophobicContact CG2-CB 4.29Å; W143-L145 HydrophobicContact CH2-CD2 4.43Å; W143-L145 HydrophobicContact CZ2-CB 4.08Å; W143-L145 HydrophobicContact CZ2-CD1 4.43Å; W143-L145 HydrophobicContact CZ2-CD2 4.16Å; W143-L145 HydrophobicContact CZ2-CG 4.46Å; W143-F234 HydrophobicContact CH2-CE1 4.11Å; W143-F234 HydrophobicContact CH2-CZ 4.28Å; W143-F234 HydrophobicContact CZ2-CE1 4.09Å; W143-F234 HydrophobicContact CZ2-CE2 4.07Å; W143-F234 AromaticContact CZ2-CZ 3.82Å; W143-F234 HydrophobicContact CZ2-CZ 3.82Å; W143-F280 HydrophobicContact CH2-CE1 4.5Å; W143-F280 AromaticContact CH2-CZ 3.92Å; W143-F280 HydrophobicContact CH2-CZ 3.92Å; W143-N339 WeakPolarHBondContact CA-O 3.46Å; W143-P341 HydrophobicContact CB-CG 3.93Å; W143-P341 HydrophobicContact CG-CG 4.34Å; W143-I344 HydrophobicContact CD2-CD1 3.71Å; W143-I344 HydrophobicContact CE3-CD1 4.06Å; W143-I344 HydrophobicContact CG-CD1 4.21Å; W143-I344 HydrophobicContact CH2-CD1 4.22Å; W143-I344 HydrophobicContact CZ2-CD1 3.85Å; W143-I344 HydrophobicContact CZ3-CD1 4.3Å
144	D	98.9	Very high	98.6	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.016	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112	175.2	-66.4	-36	0	0	0	111.2	V134 K135 T146 F335 D336 N339	V134-D144 CarbonylContact O-C 3.58Å; V134-D144 WeakPolarHBondContact O-CA 3.33Å; K135-D144 WeakPolarHBondContact CA-OD1 3.39Å; K135-D144 WeakPolarHBondContact CB-OD1 3.32Å; K135-D144 WeakPolarHBondContact CE-OD1 3.48Å; K135-D144 WeakPolarHBondContact CG-OD1 3.48Å; K135-D144 IonicContact NZ-OD1 3.26Å; K135-D144 PolarHBondContact NZ-OD1 3.11Å; K135-D144 IonicContact NZ-OD2 3.53Å; K135-D144 PolarHBondContact NZ-OD2 2.89Å; D144-T146 HydrophobicContact CB-CG2 4.34Å; D144-T146 PolarHBondContact O-N 2.75Å; D144-F335 HydrophobicContact CB-CB 4.27Å; D144-F335 WeakPolarHBondContact OD2-CA 3.2Å; D144-D336 WeakPolarHBondContact CB-O 3.45Å; D144-D336 PolarHBondContact OD2-N 3.32Å; D144-N339 HydrophobicContact CB-CB 4.19Å; D144-N339 PolarHBondContact N-O 3.02Å; D144-N339 PolarHBondContact OD2-ND2 3.46Å
145	L	98.8	Very high	98.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	88.8	168.9	-173.7	60.1	0	0	0	109.3	V134 F136 W143 G147 F220 F234 Y236 F280	V134-L145 PolarHBondContact N-O 2.87Å; V134-L145 PolarHBondContact O-N 2.87Å; F136-L145 HydrophobicContact CE2-CB 4.04Å; W143-L145 HydrophobicContact CH2-CD2 4.43Å; W143-L145 HydrophobicContact CZ2-CB 4.08Å; W143-L145 HydrophobicContact CZ2-CD1 4.43Å; W143-L145 HydrophobicContact CZ2-CD2 4.16Å; W143-L145 HydrophobicContact CZ2-CG 4.46Å; L145-G147 VanDerWaalsContact C-N 3.31Å; L145-G147 PolarHBondContact O-N 3.24Å; L145-F220 HydrophobicContact CD1-CE2 4.15Å; L145-F220 HydrophobicContact CD1-CZ 4.17Å; L145-F234 HydrophobicContact CD1-CB 4.27Å; L145-F234 HydrophobicContact CD1-CD2 3.63Å; L145-F234 HydrophobicContact CD1-CE2 4.28Å; L145-F234 HydrophobicContact CD1-CG 4.19Å; L145-F234 HydrophobicContact CD2-CB 3.75Å; L145-F234 HydrophobicContact CD2-CD2 4.26Å; L145-F234 HydrophobicContact CD2-CG 3.99Å; L145-Y236 HydrophobicContact CD2-CD1 4.36Å; L145-Y236 HydrophobicContact CD2-CE1 3.75Å; L145-Y236 HydrophobicContact CG-CE1 4.44Å; L145-F280 HydrophobicContact CD2-CE2 3.7Å; L145-F280 HydrophobicContact CD2-CZ 3.78Å
146	T	98.1	Very high	98.5	Very high	6 Å²	6	11 Å²	11	4%	0.037	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	72.6	-178.4	52.8	0	0	0	0	112.1	A133 D144 F335 P337 R355	A133-T146 HydrophobicContact CB-CG2 4.45Å; D144-T146 HydrophobicContact CB-CG2 4.34Å; D144-T146 PolarHBondContact O-N 2.75Å; T146-F335 HydrophobicContact CG2-CB 3.35Å; T146-F335 HydrophobicContact CG2-CG 4.42Å; T146-P337 HydrophobicContact CG2-CG 4.45Å; T146-P337 WeakPolarHBondContact OG1-CB 3.14Å; T146-P337 VanDerWaalsContact OG1-CG 3.32Å; T146-P337 WeakPolarHBondContact OG1-CG 3.24Å; T146-R355 VanDerWaalsContact CB-NH2 3.33Å; T146-R355 PolarHBondContact O-NH1 3.45Å; T146-R355 VanDerWaalsContact O-NH1 3.12Å; T146-R355 PolarHBondContact O-NH2 2.96Å; T146-R355 PolarHBondContact OG1-NH2 2.85Å
147	G	98.1	Very high	98.5	Very high	4 Å²	4	13.2 Å²	13.2	4%	0.041	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-178.1	-176	0	0	0	0	0	115.8	F132 L145 Y215 Y236	F132-G147 CarbonylContact C-O 3.49Å; F132-G147 PolarHBondContact N-O 2.94Å; F132-G147 CarbonylContact O-C 3.42Å; F132-G147 WeakPolarHBondContact O-CA 3.49Å; F132-G147 PolarHBondContact O-N 3.02Å; L145-G147 VanDerWaalsContact C-N 3.31Å; L145-G147 PolarHBondContact O-N 3.24Å; G147-Y215 CarbonylContact C-O 3.53Å; G147-Y215 WeakPolarHBondContact CA-O 3.47Å; G147-Y236 WeakPolarHBondContact CA-OH 3.34Å
148	N	98.6	Very high	98.4	Very high	13 Å²	13	14 Å²	14	7%	0.07	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	171.3	173.5	-85.7	-37.5	0	0	0	110.3	H75 R130 G131 T150 G214 Y215	H75-N148 PolarHBondContact CE1-OD1 3.49Å; R130-N148 CarbonylContact O-C 3.53Å; R130-N148 WeakPolarHBondContact O-CA 3.44Å; R130-N148 PolarHBondContact O-OD1 3.33Å; G131-N148 VanDerWaalsContact CA-OD1 3.3Å; G131-N148 WeakPolarHBondContact CA-OD1 3.34Å; N148-T150 HydrophobicContact CB-CG2 3.9Å; N148-T150 PolarHBondContact O-N 3.04Å; N148-G214 CarbonylContact O-C 3.54Å; N148-G214 VanDerWaalsContact O-CA 3.31Å; N148-G214 WeakPolarHBondContact O-CA 3.45Å; N148-Y215 PolarHBondContact N-O 2.72Å; N148-Y215 PolarHBondContact O-N 3.06Å
149	N	98.5	Very high	98.4	Very high	7 Å²	7	20 Å²	20	4%	0.037	11%	0.11	C	C	.	.	S	Bend	trans	-76.3	8.4	171.2	79.2	-30.1	0	0	0	114.6	R130 M212 N213 Y215	R130-N149 HydrophobicContact CB-CB 3.98Å; R130-N149 PolarHBondContact N-OD1 2.99Å; R130-N149 PolarHBondContact O-N 3.43Å; N149-M212 HydrophobicContact CB-CB 4.3Å; N149-M212 HydrophobicContact CB-CG 4.23Å; N149-M212 HydrophobicContact CB-SD 3.72Å; N149-N213 VanDerWaalsContact CA-O 3.24Å; N149-N213 WeakPolarHBondContact CA-O 3.39Å; N149-N213 WeakPolarHBondContact CB-O 3.47Å; N149-Y215 WeakPolarHBondContact O-CE2 3.36Å
150	T	98.4	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-127.5	141.8	178.4	170.8	0	0	0	0	110.8	N148 I152 Q195 S217	N148-T150 HydrophobicContact CB-CG2 3.9Å; N148-T150 PolarHBondContact O-N 3.04Å; T150-I152 VanDerWaalsContact CG2-O 3.24Å; T150-I152 WeakPolarHBondContact CG2-O 3.49Å; T150-I152 PolarHBondContact O-N 3.19Å; T150-I152 WeakPolarHBondContact OG1-CG1 3.45Å; T150-I152 PolarHBondContact OG1-N 3.5Å; T150-I152 PolarHBondContact OG1-O 2.89Å; T150-Q195 PolarHBondContact OG1-OE1 3.36Å; T150-S217 PolarHBondContact O-OG 3.26Å
151	P	98.3	Very high	98.4	Very high	27 Å²	27	19.8 Å²	19.8	18%	0.175	11%	0.109	C	C	.	.	S	Bend	trans	-75.3	-6.9	177	32.6	-37	0	0	0	113.9	Y215 S217 V303	P151-Y215 HydrophobicContact CB-CD1 3.85Å; P151-Y215 HydrophobicContact CB-CE1 4.19Å; P151-Y215 HydrophobicContact CB-CG 4.05Å; P151-S217 WeakPolarHBondContact O-CA 3.33Å; P151-V303 HydrophobicContact CB-CG1 4.09Å; P151-V303 HydrophobicContact CG-CG1 3.87Å
152	I	98.8	Very high	98.4	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.123	C	C	.	.	S	Bend	trans	-134.4	176.3	-173.5	55.3	176	0	0	0	111	T150 H194 Q195 L300 V303	T150-I152 VanDerWaalsContact CG2-O 3.24Å; T150-I152 WeakPolarHBondContact CG2-O 3.49Å; T150-I152 PolarHBondContact O-N 3.19Å; T150-I152 WeakPolarHBondContact OG1-CG1 3.45Å; T150-I152 PolarHBondContact OG1-N 3.5Å; T150-I152 PolarHBondContact OG1-O 2.89Å; I152-H194 HydrophobicContact CD1-CB 3.68Å; I152-H194 WeakPolarHBondContact CD1-CD2 3.03Å; I152-H194 WeakPolarHBondContact CD1-ND1 3.49Å; I152-Q195 HydrophobicContact CD1-CB 4.29Å; I152-Q195 HydrophobicContact CG1-CB 4.34Å; I152-Q195 PolarHBondContact O-OE1 2.76Å; I152-L300 CarbonylContact C-O 3.37Å; I152-L300 WeakPolarHBondContact CA-O 3.26Å; I152-L300 VanDerWaalsContact CB-O 3.32Å; I152-L300 WeakPolarHBondContact CB-O 3.37Å; I152-V303 HydrophobicContact CG2-CG1 3.49Å; I152-V303 VanDerWaalsContact CG2-CG1 3.49Å
153	F	98.6	Very high	98.4	Very high	13 Å²	13	24.8 Å²	24.8	6%	0.057	14%	0.141	C	C	.	.			trans	-137.1	174.1	174.2	-153.9	-112.6	0	0	0	112.5	I155 F161 F164 Q195 L300 M351	F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 HydrophobicContact CD1-CG1 3.98Å; F153-I155 HydrophobicContact CE1-CG1 4.2Å; F153-F161 AromaticContact CE1-CD2 3.91Å; F153-F161 HydrophobicContact CE1-CD2 3.91Å; F153-F161 AromaticContact CE1-CE2 3.74Å; F153-F161 HydrophobicContact CE1-CE2 3.74Å; F153-F161 HydrophobicContact CZ-CD2 4.42Å; F153-F161 AromaticContact CZ-CE2 3.79Å; F153-F161 HydrophobicContact CZ-CE2 3.79Å; F153-F164 HydrophobicContact CE1-CD1 4.17Å; F153-F164 AromaticContact CE1-CE1 3.95Å; F153-F164 HydrophobicContact CE1-CE1 3.95Å; F153-F164 HydrophobicContact CZ-CD1 4.36Å; F153-F164 AromaticContact CZ-CE1 3.74Å; F153-F164 HydrophobicContact CZ-CE1 3.74Å; F153-Q195 WeakPolarHBondContact O-CB 3.49Å; F153-L300 HydrophobicContact CB-CD2 3.39Å; F153-L300 HydrophobicContact CB-CG 3.61Å; F153-L300 HydrophobicContact CD1-CD2 4.49Å; F153-L300 HydrophobicContact CG-CD2 4.15Å; F153-L300 PolarHBondContact N-O 3.36Å; F153-L300 VanDerWaalsContact N-O 3.08Å; F153-M351 HydrophobicContact CD1-CE 3.83Å; F153-M351 HydrophobicContact CE1-CE 4.09Å
154	F	98.6	Very high	98.4	Very high	4 Å²	4	25 Å²	25	2%	0.018	14%	0.142	C	C	.	.	S	Bend	trans	-74.7	-20.8	-174.7	-57.2	-93.9	0	0	0	114.3	P129 F164 W186 S192 Q195 V196 L199	P129-F154 HydrophobicContact CG-CE2 3.66Å; P129-F154 HydrophobicContact CG-CZ 3.73Å; F154-F164 HydrophobicContact CB-CD2 4.33Å; F154-F164 HydrophobicContact CB-CE2 4.02Å; F154-F164 HydrophobicContact CB-CZ 4.25Å; F154-F164 HydrophobicContact CD1-CE2 4.03Å; F154-F164 HydrophobicContact CD1-CZ 4.27Å; F154-F164 AromaticContact CD2-CE1 3.85Å; F154-F164 HydrophobicContact CD2-CE1 3.85Å; F154-F164 AromaticContact CD2-CE2 3.79Å; F154-F164 HydrophobicContact CD2-CE2 3.79Å; F154-F164 AromaticContact CD2-CZ 3.26Å; F154-F164 HydrophobicContact CD2-CZ 3.26Å; F154-F164 HydrophobicContact CE1-CE2 4.41Å; F154-F164 HydrophobicContact CE1-CZ 4.43Å; F154-F164 HydrophobicContact CE2-CE1 4.25Å; F154-F164 HydrophobicContact CE2-CE2 4.21Å; F154-F164 AromaticContact CE2-CZ 3.49Å; F154-F164 HydrophobicContact CE2-CZ 3.49Å; F154-F164 VanDerWaalsContact CE2-CZ 3.49Å; F154-F164 HydrophobicContact CG-CD2 4.48Å; F154-F164 HydrophobicContact CG-CE1 4.48Å; F154-F164 AromaticContact CG-CE2 3.69Å; F154-F164 HydrophobicContact CG-CE2 3.69Å; F154-F164 AromaticContact CG-CZ 3.69Å; F154-F164 HydrophobicContact CG-CZ 3.69Å; F154-F164 HydrophobicContact CZ-CE2 4.49Å; F154-F164 HydrophobicContact CZ-CZ 4.08Å; F154-W186 HydrophobicContact CD1-CZ2 4.28Å; F154-W186 AromaticContact CD1-NE1 3.71Å; F154-W186 AromaticContact CE1-CZ2 3.86Å; F154-W186 HydrophobicContact CE1-CZ2 3.86Å; F154-S192 WeakPolarHBondContact O-CA 3.29Å; F154-S192 VanDerWaalsContact O-CB 3.27Å; F154-S192 WeakPolarHBondContact O-CB 3.27Å; F154-S192 PolarHBondContact O-N 3.08Å; F154-Q195 HydrophobicContact CD1-CB 3.97Å; F154-Q195 HydrophobicContact CD1-CG 3.57Å; F154-Q195 HydrophobicContact CD2-CG 3.66Å; F154-Q195 HydrophobicContact CE1-CB 4.31Å; F154-Q195 HydrophobicContact CE1-CG 3.53Å; F154-Q195 HydrophobicContact CE2-CG 3.6Å; F154-Q195 HydrophobicContact CG-CB 4.1Å; F154-Q195 HydrophobicContact CG-CG 3.65Å; F154-Q195 HydrophobicContact CZ-CG 3.54Å; F154-V196 HydrophobicContact CD1-CG2 4.13Å; F154-V196 HydrophobicContact CE1-CG2 4.32Å; F154-L199 HydrophobicContact CE1-CD2 3.97Å; F154-L199 HydrophobicContact CZ-CD2 4Å
155	I	98.3	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.			trans	-143	158	-173.9	52.6	170.1	0	0	0	109.2	F153 L160 F161 F164 F185 E191 M351	F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 HydrophobicContact CD1-CG1 3.98Å; F153-I155 HydrophobicContact CE1-CG1 4.2Å; I155-L160 HydrophobicContact CD1-CB 3.93Å; I155-L160 HydrophobicContact CG2-CB 4.36Å; I155-F161 HydrophobicContact CD1-CB 3.93Å; I155-F161 HydrophobicContact CD1-CD2 4.27Å; I155-F164 HydrophobicContact CD1-CB 4.34Å; I155-F185 HydrophobicContact CG2-CE1 4.22Å; I155-F185 HydrophobicContact CG2-CZ 4.28Å; I155-E191 HydrophobicContact CG2-CG 4.46Å; I155-M351 HydrophobicContact CD1-CE 4Å; I155-M351 HydrophobicContact CD1-SD 3.92Å; I155-M351 HydrophobicContact CG1-CE 3.85Å; I155-M351 HydrophobicContact CG1-SD 3.82Å
156	R	98.1	Very high	98.4	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.03	17%	0.172	C	C	.	.	S	Bend	trans	-114.4	2	-178.1	65.9	-179.8	63.3	123.2	1.4	114.6	D299 T301 S435 E438 D439 N440	R156-D299 WeakPolarHBondContact CB-OD1 3.38Å; R156-D299 IonicContact CZ-OD2 3.36Å; R156-D299 VanDerWaalsContact NE-CG 3.28Å; R156-D299 IonicContact NE-OD1 2.9Å; R156-D299 PolarHBondContact NE-OD1 2.9Å; R156-D299 VanDerWaalsContact NE-OD1 3.12Å; R156-D299 IonicContact NE-OD2 3.84Å; R156-D299 PolarHBondContact NE-OD2 2.92Å; R156-D299 IonicContact NH2-OD2 3.17Å; R156-D299 PolarHBondContact NH2-OD2 3.38Å; R156-T301 HydrophobicContact CB-CG2 4.17Å; R156-T301 PolarHBondContact NH2-OG1 3.27Å; R156-S435 PolarHBondContact NH1-O 3.04Å; R156-E438 IonicContact NE-OE2 3.7Å; R156-D439 PolarHBondContact NH2-O 2.95Å; R156-N440 VanDerWaalsContact CZ-OD1 3.29Å; R156-N440 PolarHBondContact NH1-OD1 2.83Å; R156-N440 PolarHBondContact NH2-OD1 3.12Å
157	D	98.3	Very high	98.4	Very high	46 Å²	46	31.4 Å²	31.4	25%	0.246	17%	0.173	C	C	.	.			trans	-135.4	125.3	178.1	-162.8	-52.2	0	0	0	110.6	M159 L160 K350	D157-M159 PolarHBondContact O-N 3.25Å; D157-M159 VanDerWaalsContact O-N 3.13Å; D157-M159 WeakPolarHBondContact OD1-CB 3.04Å; D157-M159 PolarHBondContact OD1-N 3.38Å; D157-M159 VanDerWaalsContact OD1-N 3.09Å; D157-L160 PolarHBondContact O-N 3.43Å; D157-L160 VanDerWaalsContact O-N 3.16Å; D157-K350 HydrophobicContact CB-CD 4.37Å; D157-K350 WeakPolarHBondContact OD2-CD 3.41Å; D157-K350 IonicContact OD2-NZ 3.73Å; D157-K350 PolarHBondContact OD2-NZ 2.9Å; D157-K350 VanDerWaalsContact OD2-NZ 3.1Å
158	A	98.2	Very high	98.4	Very high	27 Å²	27	32.6 Å²	32.6	22%	0.223	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62	-22.7	-174.3	0	0	0	0	0	113.2	L160 F161 M351	A158-L160 PolarHBondContact O-N 3.11Å; A158-F161 VanDerWaalsContact O-CB 3.28Å; A158-F161 WeakPolarHBondContact O-CB 3.49Å; A158-F161 PolarHBondContact O-N 3.14Å; A158-M351 VanDerWaalsContact CA-SD 3.53Å; A158-M351 HydrophobicContact CB-SD 4.26Å; A158-M351 PolarHBondContact N-SD 3.1Å; A158-M351 VanDerWaalsContact N-SD 3.35Å
159	M	97.8	Very high	98.4	Very high	126 Å²	126	33.4 Å²	33.4	62%	0.621	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-58	-31.6	177.2	-174.9	60	65.7	0	0	112.5	D157	D157-M159 PolarHBondContact O-N 3.25Å; D157-M159 VanDerWaalsContact O-N 3.13Å; D157-M159 WeakPolarHBondContact OD1-CB 3.04Å; D157-M159 PolarHBondContact OD1-N 3.38Å; D157-M159 VanDerWaalsContact OD1-N 3.09Å
160	L	98.3	Very high	98.4	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.225	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-85.4	-8.1	-180	-63.8	175.9	0	0	0	113.2	I155 D157 A158 S163 F164 F185	I155-L160 HydrophobicContact CD1-CB 3.93Å; I155-L160 HydrophobicContact CG2-CB 4.36Å; D157-L160 PolarHBondContact O-N 3.43Å; D157-L160 VanDerWaalsContact O-N 3.16Å; A158-L160 PolarHBondContact O-N 3.11Å; L160-S163 PolarHBondContact O-N 3.1Å; L160-F164 WeakPolarHBondContact O-CB 3.33Å; L160-F164 PolarHBondContact O-N 3.08Å; L160-F185 HydrophobicContact CB-CZ 4.42Å
161	F	98.6	Very high	98.4	Very high	55 Å²	55	38.7 Å²	38.7	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-45.6	-173.5	-173.1	-95.9	0	0	0	113.4	V74 F153 I155 A158 S163 F164 V165 M351	V74-F161 HydrophobicContact CG2-CZ 4.47Å; F153-F161 AromaticContact CE1-CD2 3.91Å; F153-F161 HydrophobicContact CE1-CD2 3.91Å; F153-F161 AromaticContact CE1-CE2 3.74Å; F153-F161 HydrophobicContact CE1-CE2 3.74Å; F153-F161 HydrophobicContact CZ-CD2 4.42Å; F153-F161 AromaticContact CZ-CE2 3.79Å; F153-F161 HydrophobicContact CZ-CE2 3.79Å; I155-F161 HydrophobicContact CD1-CB 3.93Å; I155-F161 HydrophobicContact CD1-CD2 4.27Å; A158-F161 VanDerWaalsContact O-CB 3.28Å; A158-F161 WeakPolarHBondContact O-CB 3.49Å; A158-F161 PolarHBondContact O-N 3.14Å; F161-S163 VanDerWaalsContact C-N 3.35Å; F161-S163 PolarHBondContact O-N 3.3Å; F161-F164 HydrophobicContact CD2-CD1 4.46Å; F161-F164 PolarHBondContact O-N 3.27Å; F161-V165 HydrophobicContact CD1-CG2 3.99Å; F161-V165 HydrophobicContact CE1-CG2 3.63Å; F161-V165 HydrophobicContact CE2-CG2 4.24Å; F161-V165 HydrophobicContact CG-CG2 4.45Å; F161-V165 HydrophobicContact CZ-CG2 3.77Å; F161-V165 WeakPolarHBondContact O-CG2 3.31Å; F161-V165 PolarHBondContact O-N 3.46Å; F161-M351 HydrophobicContact CD2-CE 3.88Å
162	P	98.6	Very high	98.5	Very high	71 Å²	71	43.4 Å²	43.4	46%	0.461	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-43.3	176.1	-24.3	35.9	0	0	0	112.6	V165 H166	P162-V165 PolarHBondContact O-N 2.89Å; P162-H166 WeakPolarHBondContact O-CB 3.32Å; P162-H166 PolarHBondContact O-CD2 2.9Å; P162-H166 PolarHBondContact O-N 2.94Å
163	S	98.7	Very high	98.4	Very high	64 Å²	64	51.8 Å²	51.8	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-41.3	178	-63.3	0	0	0	0	112.5	L160 F161 H166 S167	L160-S163 PolarHBondContact O-N 3.1Å; F161-S163 VanDerWaalsContact C-N 3.35Å; F161-S163 PolarHBondContact O-N 3.3Å; S163-H166 PolarHBondContact O-N 3.03Å; S163-S167 PolarHBondContact O-N 2.86Å
164	F	98.5	Very high	98.4	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-48.8	172.1	164.8	-109	0	0	0	111.1	F153 F154 I155 L160 F161 H166 S167 Q168 F185 W186	F153-F164 HydrophobicContact CE1-CD1 4.17Å; F153-F164 AromaticContact CE1-CE1 3.95Å; F153-F164 HydrophobicContact CE1-CE1 3.95Å; F153-F164 HydrophobicContact CZ-CD1 4.36Å; F153-F164 AromaticContact CZ-CE1 3.74Å; F153-F164 HydrophobicContact CZ-CE1 3.74Å; F154-F164 HydrophobicContact CB-CD2 4.33Å; F154-F164 HydrophobicContact CB-CE2 4.02Å; F154-F164 HydrophobicContact CB-CZ 4.25Å; F154-F164 HydrophobicContact CD1-CE2 4.03Å; F154-F164 HydrophobicContact CD1-CZ 4.27Å; F154-F164 AromaticContact CD2-CE1 3.85Å; F154-F164 HydrophobicContact CD2-CE1 3.85Å; F154-F164 AromaticContact CD2-CE2 3.79Å; F154-F164 HydrophobicContact CD2-CE2 3.79Å; F154-F164 AromaticContact CD2-CZ 3.26Å; F154-F164 HydrophobicContact CD2-CZ 3.26Å; F154-F164 HydrophobicContact CE1-CE2 4.41Å; F154-F164 HydrophobicContact CE1-CZ 4.43Å; F154-F164 HydrophobicContact CE2-CE1 4.25Å; F154-F164 HydrophobicContact CE2-CE2 4.21Å; F154-F164 AromaticContact CE2-CZ 3.49Å; F154-F164 HydrophobicContact CE2-CZ 3.49Å; F154-F164 VanDerWaalsContact CE2-CZ 3.49Å; F154-F164 HydrophobicContact CG-CD2 4.48Å; F154-F164 HydrophobicContact CG-CE1 4.48Å; F154-F164 AromaticContact CG-CE2 3.69Å; F154-F164 HydrophobicContact CG-CE2 3.69Å; F154-F164 AromaticContact CG-CZ 3.69Å; F154-F164 HydrophobicContact CG-CZ 3.69Å; F154-F164 HydrophobicContact CZ-CE2 4.49Å; F154-F164 HydrophobicContact CZ-CZ 4.08Å; I155-F164 HydrophobicContact CD1-CB 4.34Å; L160-F164 WeakPolarHBondContact O-CB 3.33Å; L160-F164 PolarHBondContact O-N 3.08Å; F161-F164 HydrophobicContact CD2-CD1 4.46Å; F161-F164 PolarHBondContact O-N 3.27Å; F164-H166 VanDerWaalsContact C-N 3.33Å; F164-H166 PolarHBondContact O-N 3.21Å; F164-S167 PolarHBondContact O-N 3.3Å; F164-S167 PolarHBondContact O-OG 3.43Å; F164-Q168 HydrophobicContact CD2-CG 4.15Å; F164-Q168 HydrophobicContact CE2-CG 3.59Å; F164-Q168 HydrophobicContact CZ-CG 3.83Å; F164-Q168 WeakPolarHBondContact O-CG 3.28Å; F164-Q168 PolarHBondContact O-N 3.05Å; F164-F185 HydrophobicContact CB-CD1 4.49Å; F164-F185 HydrophobicContact CB-CE1 3.71Å; F164-F185 HydrophobicContact CB-CZ 3.74Å; F164-F185 HydrophobicContact CD2-CD1 4.23Å; F164-F185 AromaticContact CD2-CE1 3.93Å; F164-F185 HydrophobicContact CD2-CE1 3.93Å; F164-F185 HydrophobicContact CG-CE1 4.28Å; F164-W186 AromaticContact CD2-NE1 3.99Å; F164-W186 HydrophobicContact CE2-CZ2 4.42Å; F164-W186 AromaticContact CE2-NE1 3.62Å
165	V	98.3	Very high	98.4	Very high	12 Å²	12	60.5 Å²	60.5	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-40.4	-179.8	171	0	0	0	0	111.6	V74 F161 P162 S167 Q168 K169	V74-V165 HydrophobicContact CG1-CB 4.21Å; V74-V165 HydrophobicContact CG1-CG1 3.47Å; V74-V165 VanDerWaalsContact CG1-CG1 3.47Å; V74-V165 HydrophobicContact CG1-CG2 3.59Å; F161-V165 HydrophobicContact CD1-CG2 3.99Å; F161-V165 HydrophobicContact CE1-CG2 3.63Å; F161-V165 HydrophobicContact CE2-CG2 4.24Å; F161-V165 HydrophobicContact CG-CG2 4.45Å; F161-V165 HydrophobicContact CZ-CG2 3.77Å; F161-V165 WeakPolarHBondContact O-CG2 3.31Å; F161-V165 PolarHBondContact O-N 3.46Å; P162-V165 PolarHBondContact O-N 2.89Å; V165-S167 VanDerWaalsContact C-N 3.34Å; V165-S167 PolarHBondContact O-N 3.16Å; V165-Q168 PolarHBondContact O-N 3.45Å; V165-K169 HydrophobicContact CG1-CD 3.82Å; V165-K169 WeakPolarHBondContact O-CG 3.48Å; V165-K169 PolarHBondContact O-N 3.24Å
166	H	98.8	Very high	98.4	Very high	124 Å²	124	66.6 Å²	66.6	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-61	-42.8	174.8	-68.7	173	0	0	0	111.7	P162 S163 F164 Q168 K169 M181	P162-H166 WeakPolarHBondContact O-CB 3.32Å; P162-H166 PolarHBondContact O-CD2 2.9Å; P162-H166 PolarHBondContact O-N 2.94Å; S163-H166 PolarHBondContact O-N 3.03Å; F164-H166 VanDerWaalsContact C-N 3.33Å; F164-H166 PolarHBondContact O-N 3.21Å; H166-Q168 VanDerWaalsContact C-N 3.25Å; H166-Q168 PolarHBondContact O-N 2.97Å; H166-K169 PolarHBondContact O-N 3.24Å; H166-K169 VanDerWaalsContact O-N 3.11Å; H166-M181 VanDerWaalsContact O-CE 3.29Å; H166-M181 WeakPolarHBondContact O-CE 3.47Å
167	S	98.6	Very high	98.4	Very high	8 Å²	8	70.9 Å²	70.9	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-31.1	-179.8	80.1	0	0	0	0	113.1	S163 F164 V165 M181 V182	S163-S167 PolarHBondContact O-N 2.86Å; F164-S167 PolarHBondContact O-N 3.3Å; F164-S167 PolarHBondContact O-OG 3.43Å; V165-S167 VanDerWaalsContact C-N 3.34Å; V165-S167 PolarHBondContact O-N 3.16Å; S167-M181 WeakPolarHBondContact CB-O 3.3Å; S167-V182 WeakPolarHBondContact O-CG2 3.15Å
168	Q	98.4	Very high	98.4	Very high	28 Å²	28	70.4 Å²	70.4	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-83.3	-11.9	177	-58.9	-51.7	-61.2	0	0	114.2	A117 F164 V165 H166 W186	A117-Q168 HydrophobicContact CB-CB 4.18Å; F164-Q168 HydrophobicContact CD2-CG 4.15Å; F164-Q168 HydrophobicContact CE2-CG 3.59Å; F164-Q168 HydrophobicContact CZ-CG 3.83Å; F164-Q168 WeakPolarHBondContact O-CG 3.28Å; F164-Q168 PolarHBondContact O-N 3.05Å; V165-Q168 PolarHBondContact O-N 3.45Å; H166-Q168 VanDerWaalsContact C-N 3.25Å; H166-Q168 PolarHBondContact O-N 2.97Å; Q168-W186 VanDerWaalsContact CD-CZ2 3.46Å; Q168-W186 VanDerWaalsContact OE1-CZ2 3.25Å
169	K	98.5	Very high	98.4	Very high	31 Å²	31	71.4 Å²	71.4	14%	0.135	37%	0.368	C	S	.	.	S	Bend	trans	-99.1	-145.4	-177.5	-76.1	180	178.6	-76.8	0	110.4	V73 A117 V165 H166 K177	V73-K169 WeakPolarHBondContact O-CE 3.4Å; V73-K169 PolarHBondContact O-NZ 2.69Å; A117-K169 PolarHBondContact O-NZ 2.91Å; V165-K169 HydrophobicContact CG1-CD 3.82Å; V165-K169 WeakPolarHBondContact O-CG 3.48Å; V165-K169 PolarHBondContact O-N 3.24Å; H166-K169 PolarHBondContact O-N 3.24Å; H166-K169 VanDerWaalsContact O-N 3.11Å; K169-K177 VanDerWaalsContact O-CD 3.29Å; K169-K177 WeakPolarHBondContact O-CD 3.29Å
170	R	98.6	Very high	98.4	Very high	88 Å²	88	67.2 Å²	67.2	33%	0.332	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-95.2	139.9	-168.3	-63.9	174.1	-178	-99.1	4.6	109.3	E119 H175 M176	E119-R170 VanDerWaalsContact CD-NE 3.3Å; E119-R170 VanDerWaalsContact CD-NH2 3.34Å; E119-R170 IonicContact OE1-CZ 2.79Å; E119-R170 IonicContact OE1-NE 2.68Å; E119-R170 PolarHBondContact OE1-NE 3.29Å; E119-R170 IonicContact OE1-NH2 2.76Å; E119-R170 IonicContact OE2-CZ 2.66Å; E119-R170 IonicContact OE2-NE 3.56Å; E119-R170 PolarHBondContact OE2-NE 2.97Å; E119-R170 IonicContact OE2-NH2 3.66Å; E119-R170 PolarHBondContact OE2-NH2 3.48Å; R170-H175 WeakPolarHBondContact CD-CE1 3.46Å; R170-H175 WeakPolarHBondContact CD-ND1 3.34Å; R170-H175 WeakPolarHBondContact CD-NE2 3.1Å; R170-H175 WeakPolarHBondContact CD-O 3.48Å; R170-H175 WeakPolarHBondContact CG-O 3.36Å; R170-H175 PolarHBondContact NH1-O 3.4Å; R170-M176 CarbonylContact C-O 3.43Å; R170-M176 WeakPolarHBondContact CA-O 3.39Å
171	N	98.8	Very high	98.4	Very high	29 Å²	29	67.4 Å²	67.4	16%	0.155	35%	0.349	C	S	.	.			trans	-56.5	134.9	169.1	178	-68	0	0	0	109.8	Q173 T174 H175 M176 D178 M181	N171-Q173 PolarHBondContact O-N 2.92Å; N171-Q173 PolarHBondContact OD1-N 3.49Å; N171-T174 WeakPolarHBondContact CB-OG1 3.07Å; N171-T174 PolarHBondContact OD1-N 3.42Å; N171-T174 VanDerWaalsContact OD1-N 3.1Å; N171-H175 VanDerWaalsContact O-CA 3.26Å; N171-H175 WeakPolarHBondContact O-CA 3.44Å; N171-H175 PolarHBondContact O-N 3.46Å; N171-M176 PolarHBondContact N-O 3.27Å; N171-D178 HydrophobicContact CB-CB 4.16Å; N171-D178 PolarHBondContact ND2-OD2 3.09Å; N171-M181 VanDerWaalsContact CA-SD 3.53Å; N171-M181 HydrophobicContact CB-SD 3.73Å
172	P	98.5	Very high	98.4	Very high	126 Å²	126	65.9 Å²	65.9	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.4	-172.6	25.7	-35.3	0	0	0	113.9
173	Q	98.3	Very high	98.4	Very high	179 Å²	179	62.7 Å²	62.7	84%	0.836	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-47.2	179	-176.1	179.5	3.9	0	0	112	N171	N171-Q173 PolarHBondContact O-N 2.92Å; N171-Q173 PolarHBondContact OD1-N 3.49Å
174	T	98.4	Very high	98.5	Very high	78 Å²	78	62.2 Å²	62.2	48%	0.479	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-15.7	-172.2	68.7	0	0	0	0	113.4	N171 M176	N171-T174 WeakPolarHBondContact CB-OG1 3.07Å; N171-T174 PolarHBondContact OD1-N 3.42Å; N171-T174 VanDerWaalsContact OD1-N 3.1Å; T174-M176 PolarHBondContact O-N 2.87Å; T174-M176 VanDerWaalsContact O-N 3.1Å; T174-M176 PolarHBondContact OG1-N 3.2Å
175	H	98	Very high	98.5	Very high	122 Å²	122	63.2 Å²	63.2	57%	0.565	32%	0.319	S	S	*	.			trans	59.1	15.5	-174.1	-156.8	63.7	0	0	0	114.4	R170 N171	R170-H175 WeakPolarHBondContact CD-CE1 3.46Å; R170-H175 WeakPolarHBondContact CD-ND1 3.34Å; R170-H175 WeakPolarHBondContact CD-NE2 3.1Å; R170-H175 WeakPolarHBondContact CD-O 3.48Å; R170-H175 WeakPolarHBondContact CG-O 3.36Å; R170-H175 PolarHBondContact NH1-O 3.4Å; N171-H175 VanDerWaalsContact O-CA 3.26Å; N171-H175 WeakPolarHBondContact O-CA 3.44Å; N171-H175 PolarHBondContact O-N 3.46Å
176	M	98.1	Very high	98.5	Very high	128 Å²	128	62.8 Å²	62.8	63%	0.631	32%	0.317	S	S	*	.	S	Bend	trans	-97.1	159.2	177	-63.2	-173	69.1	0	0	111.7	R170 N171 T174	R170-M176 CarbonylContact C-O 3.43Å; R170-M176 WeakPolarHBondContact CA-O 3.39Å; N171-M176 PolarHBondContact N-O 3.27Å; T174-M176 PolarHBondContact O-N 2.87Å; T174-M176 VanDerWaalsContact O-N 3.1Å; T174-M176 PolarHBondContact OG1-N 3.2Å
177	K	97.6	Very high	98.5	Very high	97 Å²	97	57.1 Å²	57.1	42%	0.422	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-67.5	141	166	-66.6	-61.3	-170	-80.1	0	109.1	E119 K169	E119-K177 IonicContact OE1-NZ 3.77Å; E119-K177 IonicContact OE2-NZ 3.87Å; K169-K177 VanDerWaalsContact O-CD 3.29Å; K169-K177 WeakPolarHBondContact O-CD 3.29Å
178	D	98.4	Very high	98.5	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.193	31%	0.309	C	S	.	.			trans	-132.3	109.7	-167.4	-169.4	-29	0	0	0	110.7	N171 D180 M181 V182	N171-D178 HydrophobicContact CB-CB 4.16Å; N171-D178 PolarHBondContact ND2-OD2 3.09Å; D178-D180 VanDerWaalsContact C-N 3.26Å; D178-D180 PolarHBondContact O-N 3.34Å; D178-D180 WeakPolarHBondContact OD1-CB 3.29Å; D178-D180 PolarHBondContact OD1-N 3.14Å; D178-M181 HydrophobicContact CB-CB 4.06Å; D178-M181 HydrophobicContact CB-CG 3.83Å; D178-M181 HydrophobicContact CB-SD 3.66Å; D178-M181 PolarHBondContact O-N 2.79Å; D178-M181 PolarHBondContact OD1-N 3.4Å; D178-V182 WeakPolarHBondContact O-CG2 3.42Å; D178-V182 PolarHBondContact O-N 2.94Å
179	P	98.1	Very high	98.4	Very high	48 Å²	48	61.5 Å²	61.5	31%	0.312	31%	0.311	S	S	.	.	H	α-helix	trans	-65.4	-27.8	-179.9	27.4	-34.3	0	0	0	112.8	W183 G470	P179-W183 WeakPolarHBondContact O-CB 3.47Å; P179-W183 PolarHBondContact O-N 2.91Å; P179-G470 WeakPolarHBondContact CG-O 3.49Å
180	D	98.8	Very high	98.4	Very high	39 Å²	39	61.2 Å²	61.2	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-45.9	175.9	-82.3	-10.4	0	0	0	110.2	D178 V182 W183 D184 A471 Q472 I475	D178-D180 VanDerWaalsContact C-N 3.26Å; D178-D180 PolarHBondContact O-N 3.34Å; D178-D180 WeakPolarHBondContact OD1-CB 3.29Å; D178-D180 PolarHBondContact OD1-N 3.14Å; D180-V182 VanDerWaalsContact C-N 3.34Å; D180-V182 PolarHBondContact O-N 3.36Å; D180-W183 PolarHBondContact O-N 3.44Å; D180-D184 WeakPolarHBondContact O-CB 3.16Å; D180-D184 PolarHBondContact O-N 2.8Å; D180-A471 WeakPolarHBondContact OD1-CA 3.25Å; D180-Q472 PolarHBondContact OD1-N 2.82Å; D180-Q472 WeakPolarHBondContact OD2-CG 3.47Å; D180-Q472 PolarHBondContact OD2-NE2 2.79Å; D180-I475 HydrophobicContact CB-CD1 3.99Å; D180-I475 WeakPolarHBondContact OD1-CD1 3.42Å
181	M	98.8	Very high	98.4	Very high	46 Å²	46	57.2 Å²	57.2	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-47.9	177.9	-70.1	175.5	54.4	0	0	111.7	H166 S167 N171 D178 F185	H166-M181 VanDerWaalsContact O-CE 3.29Å; H166-M181 WeakPolarHBondContact O-CE 3.47Å; S167-M181 WeakPolarHBondContact CB-O 3.3Å; N171-M181 VanDerWaalsContact CA-SD 3.53Å; N171-M181 HydrophobicContact CB-SD 3.73Å; D178-M181 HydrophobicContact CB-CB 4.06Å; D178-M181 HydrophobicContact CB-CG 3.83Å; D178-M181 HydrophobicContact CB-SD 3.66Å; D178-M181 PolarHBondContact O-N 2.79Å; D178-M181 PolarHBondContact OD1-N 3.4Å; M181-F185 PolarHBondContact O-N 3.11Å
182	V	98.7	Very high	98.3	Very high	23 Å²	23	55.9 Å²	55.9	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-55.6	-179.3	169.4	0	0	0	0	110.9	S167 D178 D180 W186	S167-V182 WeakPolarHBondContact O-CG2 3.15Å; D178-V182 WeakPolarHBondContact O-CG2 3.42Å; D178-V182 PolarHBondContact O-N 2.94Å; D180-V182 VanDerWaalsContact C-N 3.34Å; D180-V182 PolarHBondContact O-N 3.36Å; V182-W186 HydrophobicContact CG1-CD2 4.11Å; V182-W186 HydrophobicContact CG1-CE3 3.45Å; V182-W186 VanDerWaalsContact CG1-CE3 3.45Å; V182-W186 HydrophobicContact CG1-CH2 3.55Å; V182-W186 HydrophobicContact CG1-CZ2 4.2Å; V182-W186 HydrophobicContact CG1-CZ3 3.13Å; V182-W186 PolarHBondContact O-N 2.65Å
183	W	98.7	Very high	98.4	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-83.2	-24.7	-170.5	-69.2	107.3	0	0	0	113.4	P179 D180 W186 S187 V196 F200 V464 A467 L468 A471 I475 M479	P179-W183 WeakPolarHBondContact O-CB 3.47Å; P179-W183 PolarHBondContact O-N 2.91Å; D180-W183 PolarHBondContact O-N 3.44Å; W183-W186 AromaticContact CD2-CE3 3.96Å; W183-W186 HydrophobicContact CD2-CE3 3.96Å; W183-W186 HydrophobicContact CD2-CZ3 4.34Å; W183-W186 AromaticContact CE3-CE3 3.69Å; W183-W186 HydrophobicContact CE3-CE3 3.69Å; W183-W186 HydrophobicContact CE3-CZ3 4.37Å; W183-W186 HydrophobicContact CH2-CE3 4.1Å; W183-W186 HydrophobicContact CH2-CZ3 4.1Å; W183-W186 HydrophobicContact CZ2-CE3 4.35Å; W183-W186 HydrophobicContact CZ2-CZ3 4.09Å; W183-W186 AromaticContact CZ3-CE3 3.76Å; W183-W186 HydrophobicContact CZ3-CE3 3.76Å; W183-W186 HydrophobicContact CZ3-CZ3 4.24Å; W183-S187 WeakPolarHBondContact O-CB 3.34Å; W183-S187 PolarHBondContact O-N 2.79Å; W183-S187 PolarHBondContact O-OG 2.96Å; W183-V196 HydrophobicContact CH2-CG1 4.42Å; W183-V196 HydrophobicContact CZ3-CG1 4.32Å; W183-F200 HydrophobicContact CH2-CD2 4.34Å; W183-F200 AromaticContact CH2-CE2 3.66Å; W183-F200 HydrophobicContact CH2-CE2 3.66Å; W183-F200 AromaticContact CH2-CZ 3.88Å; W183-F200 HydrophobicContact CH2-CZ 3.88Å; W183-F200 HydrophobicContact CZ2-CE1 4.39Å; W183-F200 AromaticContact CZ2-CE2 3.91Å; W183-F200 HydrophobicContact CZ2-CE2 3.91Å; W183-F200 AromaticContact CZ2-CZ 3.63Å; W183-F200 HydrophobicContact CZ2-CZ 3.63Å; W183-V464 HydrophobicContact CH2-CG1 3.99Å; W183-A467 HydrophobicContact CZ2-CB 3.87Å; W183-A467 PolarHBondContact NE1-O 2.98Å; W183-L468 HydrophobicContact CB-CD1 3.73Å; W183-L468 HydrophobicContact CD2-CB 4.15Å; W183-L468 HydrophobicContact CD2-CD1 3.48Å; W183-L468 VanDerWaalsContact CD2-CD1 3.48Å; W183-L468 HydrophobicContact CD2-CG 4.34Å; W183-L468 HydrophobicContact CE3-CD1 3.87Å; W183-L468 HydrophobicContact CG-CD1 3.41Å; W183-L468 VanDerWaalsContact CG-CD1 3.41Å; W183-L468 HydrophobicContact CH2-CB 4.39Å; W183-L468 HydrophobicContact CZ2-CB 3.9Å; W183-A471 HydrophobicContact CB-CB 4.11Å; W183-A471 HydrophobicContact CG-CB 4.43Å; W183-I475 VanDerWaalsContact C-CG2 3.43Å; W183-I475 HydrophobicContact CB-CG2 3.5Å; W183-I475 VanDerWaalsContact CB-CG2 3.5Å; W183-M479 HydrophobicContact CE3-CG 3.83Å; W183-M479 HydrophobicContact CE3-SD 4.01Å; W183-M479 HydrophobicContact CZ3-CE 3.92Å; W183-M479 HydrophobicContact CZ3-CG 3.86Å; W183-M479 HydrophobicContact CZ3-SD 3.97Å
184	D	98.8	Very high	98.4	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-46.8	170.9	-169.9	46.8	0	0	0	110.1	D180 S187 L188 I475 R478	D180-D184 WeakPolarHBondContact O-CB 3.16Å; D180-D184 PolarHBondContact O-N 2.8Å; D184-S187 PolarHBondContact O-N 3.48Å; D184-S187 PolarHBondContact O-OG 2.92Å; D184-L188 WeakPolarHBondContact O-CB 3.13Å; D184-L188 VanDerWaalsContact O-CG 3.29Å; D184-L188 WeakPolarHBondContact O-CG 3.41Å; D184-L188 PolarHBondContact O-N 3.34Å; D184-I475 HydrophobicContact CB-CD1 3.98Å; D184-I475 HydrophobicContact CB-CG1 4.35Å; D184-R478 IonicContact OD1-CZ 3.43Å; D184-R478 VanDerWaalsContact OD1-CZ 3.26Å; D184-R478 IonicContact OD1-NH1 2.67Å; D184-R478 PolarHBondContact OD1-NH1 3.01Å; D184-R478 IonicContact OD1-NH2 2.79Å; D184-R478 PolarHBondContact OD1-NH2 2.97Å
185	F	98.8	Very high	98.4	Very high	26 Å²	26	38.5 Å²	38.5	11%	0.114	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-52	176.1	-175.1	-90.6	0	0	0	112.1	I155 L160 F164 M181 S187 L188 R189	I155-F185 HydrophobicContact CG2-CE1 4.22Å; I155-F185 HydrophobicContact CG2-CZ 4.28Å; L160-F185 HydrophobicContact CB-CZ 4.42Å; F164-F185 HydrophobicContact CB-CD1 4.49Å; F164-F185 HydrophobicContact CB-CE1 3.71Å; F164-F185 HydrophobicContact CB-CZ 3.74Å; F164-F185 HydrophobicContact CD2-CD1 4.23Å; F164-F185 AromaticContact CD2-CE1 3.93Å; F164-F185 HydrophobicContact CD2-CE1 3.93Å; F164-F185 HydrophobicContact CG-CE1 4.28Å; M181-F185 PolarHBondContact O-N 3.11Å; F185-S187 VanDerWaalsContact C-N 3.33Å; F185-S187 PolarHBondContact O-N 3.1Å; F185-L188 PolarHBondContact O-N 2.89Å; F185-R189 HydrophobicContact CD2-CG 4.47Å; F185-R189 HydrophobicContact CE1-CB 4.34Å; F185-R189 HydrophobicContact CE1-CG 4.15Å; F185-R189 HydrophobicContact CE2-CG 4.13Å; F185-R189 HydrophobicContact CZ-CG 3.96Å; F185-R189 WeakPolarHBondContact O-CB 3.22Å; F185-R189 WeakPolarHBondContact O-CG 3.36Å; F185-R189 PolarHBondContact O-N 2.8Å
186	W	98.6	Very high	98.4	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-34.6	-179.6	-71	-28.3	0	0	0	113.4	F154 F164 Q168 V182 W183 R189 S192 V196 L199 F200	F154-W186 HydrophobicContact CD1-CZ2 4.28Å; F154-W186 AromaticContact CD1-NE1 3.71Å; F154-W186 AromaticContact CE1-CZ2 3.86Å; F154-W186 HydrophobicContact CE1-CZ2 3.86Å; F164-W186 AromaticContact CD2-NE1 3.99Å; F164-W186 HydrophobicContact CE2-CZ2 4.42Å; F164-W186 AromaticContact CE2-NE1 3.62Å; Q168-W186 VanDerWaalsContact CD-CZ2 3.46Å; Q168-W186 VanDerWaalsContact OE1-CZ2 3.25Å; V182-W186 HydrophobicContact CG1-CD2 4.11Å; V182-W186 HydrophobicContact CG1-CE3 3.45Å; V182-W186 VanDerWaalsContact CG1-CE3 3.45Å; V182-W186 HydrophobicContact CG1-CH2 3.55Å; V182-W186 HydrophobicContact CG1-CZ2 4.2Å; V182-W186 HydrophobicContact CG1-CZ3 3.13Å; V182-W186 PolarHBondContact O-N 2.65Å; W183-W186 AromaticContact CD2-CE3 3.96Å; W183-W186 HydrophobicContact CD2-CE3 3.96Å; W183-W186 HydrophobicContact CD2-CZ3 4.34Å; W183-W186 AromaticContact CE3-CE3 3.69Å; W183-W186 HydrophobicContact CE3-CE3 3.69Å; W183-W186 HydrophobicContact CE3-CZ3 4.37Å; W183-W186 HydrophobicContact CH2-CE3 4.1Å; W183-W186 HydrophobicContact CH2-CZ3 4.1Å; W183-W186 HydrophobicContact CZ2-CE3 4.35Å; W183-W186 HydrophobicContact CZ2-CZ3 4.09Å; W183-W186 AromaticContact CZ3-CE3 3.76Å; W183-W186 HydrophobicContact CZ3-CE3 3.76Å; W183-W186 HydrophobicContact CZ3-CZ3 4.24Å; W186-R189 CarbonylContact O-C 3.56Å; W186-R189 PolarHBondContact O-N 3.45Å; W186-S192 PolarHBondContact O-OG 3.25Å; W186-V196 HydrophobicContact CD2-CG2 3.81Å; W186-V196 HydrophobicContact CE3-CG2 4.19Å; W186-V196 HydrophobicContact CG-CG2 3.97Å; W186-V196 HydrophobicContact CZ2-CG2 4.5Å; W186-L199 HydrophobicContact CH2-CD2 4.02Å; W186-L199 HydrophobicContact CZ2-CD2 4.33Å; W186-F200 HydrophobicContact CH2-CE2 4.16Å; W186-F200 AromaticContact CZ3-CE2 3.8Å; W186-F200 HydrophobicContact CZ3-CE2 3.8Å; W186-F200 HydrophobicContact CZ3-CZ 4.15Å
187	S	98.4	Very high	98.5	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-74	-27.4	177.6	69.5	0	0	0	0	113.1	W183 D184 F185 R478 N482	W183-S187 WeakPolarHBondContact O-CB 3.34Å; W183-S187 PolarHBondContact O-N 2.79Å; W183-S187 PolarHBondContact O-OG 2.96Å; D184-S187 PolarHBondContact O-N 3.48Å; D184-S187 PolarHBondContact O-OG 2.92Å; F185-S187 VanDerWaalsContact C-N 3.33Å; F185-S187 PolarHBondContact O-N 3.1Å; S187-R478 WeakPolarHBondContact OG-CD 3.46Å; S187-R478 PolarHBondContact OG-NE 3.25Å; S187-N482 PolarHBondContact O-ND2 3.26Å
188	L	98.4	Very high	98.5	Very high	86 Å²	86	22.8 Å²	22.8	45%	0.45	12%	0.119	S	C	.	.	H	α-helix	trans	-78.4	-26.6	171	-72.5	171	0	0	0	113.3	D184 F185 P190	D184-L188 WeakPolarHBondContact O-CB 3.13Å; D184-L188 VanDerWaalsContact O-CG 3.29Å; D184-L188 WeakPolarHBondContact O-CG 3.41Å; D184-L188 PolarHBondContact O-N 3.34Å; F185-L188 PolarHBondContact O-N 2.89Å; L188-P190 VanDerWaalsContact C-CD 3.48Å; L188-P190 WeakPolarHBondContact O-CD 3.35Å
189	R	97.9	Very high	98.6	Very high	42 Å²	42	21.4 Å²	21.4	16%	0.158	11%	0.112	C	C	.	.			trans	-114.9	77.4	-175.4	-58.3	-45.8	-55.4	176	-2.4	110.5	F185 W186 E191 S192 E436	F185-R189 HydrophobicContact CD2-CG 4.47Å; F185-R189 HydrophobicContact CE1-CB 4.34Å; F185-R189 HydrophobicContact CE1-CG 4.15Å; F185-R189 HydrophobicContact CE2-CG 4.13Å; F185-R189 HydrophobicContact CZ-CG 3.96Å; F185-R189 WeakPolarHBondContact O-CB 3.22Å; F185-R189 WeakPolarHBondContact O-CG 3.36Å; F185-R189 PolarHBondContact O-N 2.8Å; W186-R189 CarbonylContact O-C 3.56Å; W186-R189 PolarHBondContact O-N 3.45Å; R189-E191 WeakPolarHBondContact CA-OE2 3.31Å; R189-E191 WeakPolarHBondContact CB-OE2 3.49Å; R189-E191 IonicContact CZ-OE1 3.54Å; R189-E191 VanDerWaalsContact CZ-OE1 3.25Å; R189-E191 IonicContact CZ-OE2 2.75Å; R189-E191 IonicContact NE-OE1 3.67Å; R189-E191 PolarHBondContact NE-OE1 3.29Å; R189-E191 IonicContact NE-OE2 3.58Å; R189-E191 PolarHBondContact NE-OE2 3.13Å; R189-E191 IonicContact NH2-OE1 3.92Å; R189-E191 PolarHBondContact NH2-OE1 2.91Å; R189-E191 IonicContact NH2-OE2 3.59Å; R189-E191 PolarHBondContact O-N 3.1Å; R189-E191 VanDerWaalsContact O-N 3.13Å; R189-S192 VanDerWaalsContact O-CB 3.31Å; R189-S192 WeakPolarHBondContact O-CB 3.5Å; R189-S192 PolarHBondContact O-N 3.5Å; R189-S192 PolarHBondContact O-OG 3.39Å; R189-E436 IonicContact CZ-OE2 2.73Å; R189-E436 IonicContact NH1-OE1 3.1Å; R189-E436 PolarHBondContact NH1-OE1 2.96Å; R189-E436 IonicContact NH1-OE2 3.88Å; R189-E436 PolarHBondContact NH1-OE2 3.36Å; R189-E436 IonicContact NH2-OE2 2.72Å
190	P	97.4	Very high	98.6	Very high	26 Å²	26	19.6 Å²	19.6	17%	0.169	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-64.6	-14.2	-175.7	27	-34.9	0	0	0	113.7	L188 S192 L193 N440	L188-P190 VanDerWaalsContact C-CD 3.48Å; L188-P190 WeakPolarHBondContact O-CD 3.35Å; P190-S192 PolarHBondContact O-N 2.89Å; P190-L193 HydrophobicContact CB-CD1 4Å; P190-L193 WeakPolarHBondContact O-CB 3.43Å; P190-L193 VanDerWaalsContact O-CD1 3.3Å; P190-L193 WeakPolarHBondContact O-CD1 3.32Å; P190-L193 WeakPolarHBondContact O-CG 3.41Å; P190-L193 PolarHBondContact O-N 3.5Å; P190-N440 HydrophobicContact CB-CB 4.31Å
191	E	98.1	Very high	98.6	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-56.7	-20.8	169.2	67.2	-91.7	-139.4	0	0	113	I155 R189 L193 T301 N440	I155-E191 HydrophobicContact CG2-CG 4.46Å; R189-E191 WeakPolarHBondContact CA-OE2 3.31Å; R189-E191 WeakPolarHBondContact CB-OE2 3.49Å; R189-E191 IonicContact CZ-OE1 3.54Å; R189-E191 VanDerWaalsContact CZ-OE1 3.25Å; R189-E191 IonicContact CZ-OE2 2.75Å; R189-E191 IonicContact NE-OE1 3.67Å; R189-E191 PolarHBondContact NE-OE1 3.29Å; R189-E191 IonicContact NE-OE2 3.58Å; R189-E191 PolarHBondContact NE-OE2 3.13Å; R189-E191 IonicContact NH2-OE1 3.92Å; R189-E191 PolarHBondContact NH2-OE1 2.91Å; R189-E191 IonicContact NH2-OE2 3.59Å; R189-E191 PolarHBondContact O-N 3.1Å; R189-E191 VanDerWaalsContact O-N 3.13Å; E191-L193 VanDerWaalsContact C-N 3.31Å; E191-L193 PolarHBondContact O-N 3.31Å; E191-T301 HydrophobicContact CB-CG2 4.31Å; E191-T301 WeakPolarHBondContact O-CG2 3.36Å; E191-N440 VanDerWaalsContact CA-OD1 3.28Å; E191-N440 WeakPolarHBondContact CA-OD1 3.3Å; E191-N440 WeakPolarHBondContact CB-OD1 3.17Å
192	S	98.5	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-73.7	-17.3	177.3	68.2	0	0	0	0	114.7	F154 W186 R189 P190 H194 Q195 V196	F154-S192 WeakPolarHBondContact O-CA 3.29Å; F154-S192 VanDerWaalsContact O-CB 3.27Å; F154-S192 WeakPolarHBondContact O-CB 3.27Å; F154-S192 PolarHBondContact O-N 3.08Å; W186-S192 PolarHBondContact O-OG 3.25Å; R189-S192 VanDerWaalsContact O-CB 3.31Å; R189-S192 WeakPolarHBondContact O-CB 3.5Å; R189-S192 PolarHBondContact O-N 3.5Å; R189-S192 PolarHBondContact O-OG 3.39Å; P190-S192 PolarHBondContact O-N 2.89Å; S192-H194 PolarHBondContact O-N 3.21Å; S192-H194 VanDerWaalsContact O-N 3.1Å; S192-Q195 PolarHBondContact O-N 2.59Å; S192-Q195 VanDerWaalsContact O-N 3.12Å; S192-V196 WeakPolarHBondContact O-CB 3.42Å; S192-V196 WeakPolarHBondContact O-CG2 3.4Å; S192-V196 PolarHBondContact O-N 2.94Å
193	L	98.8	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-52.3	-40.9	-171.2	-74.9	166.6	0	0	0	113.2	P190 E191 V196 S197 V441 V444 M479 N482 L483 V486	P190-L193 HydrophobicContact CB-CD1 4Å; P190-L193 WeakPolarHBondContact O-CB 3.43Å; P190-L193 VanDerWaalsContact O-CD1 3.3Å; P190-L193 WeakPolarHBondContact O-CD1 3.32Å; P190-L193 WeakPolarHBondContact O-CG 3.41Å; P190-L193 PolarHBondContact O-N 3.5Å; E191-L193 VanDerWaalsContact C-N 3.31Å; E191-L193 PolarHBondContact O-N 3.31Å; L193-V196 PolarHBondContact O-N 3.13Å; L193-S197 WeakPolarHBondContact O-CB 3.44Å; L193-S197 PolarHBondContact O-N 3.3Å; L193-S197 PolarHBondContact O-OG 2.75Å; L193-S197 VanDerWaalsContact O-OG 3.11Å; L193-V441 HydrophobicContact CD1-CG1 4.24Å; L193-V444 HydrophobicContact CB-CG1 4.42Å; L193-V444 HydrophobicContact CB-CG2 4.08Å; L193-M479 HydrophobicContact CD2-CE 3.66Å; L193-N482 HydrophobicContact CD1-CB 4.2Å; L193-N482 HydrophobicContact CD2-CB 4.01Å; L193-L483 HydrophobicContact CD2-CD2 4.07Å; L193-V486 HydrophobicContact CB-CG2 4.47Å; L193-V486 HydrophobicContact CD1-CG2 3.92Å; L193-V486 HydrophobicContact CD2-CG2 4.41Å
194	H	98.8	Very high	98.5	Very high	17 Å²	17	21 Å²	21	8%	0.079	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-49.3	-178	-159.7	178.6	0	0	0	112	I152 S192 S197 F198 T301 Q443 V444	I152-H194 HydrophobicContact CD1-CB 3.68Å; I152-H194 WeakPolarHBondContact CD1-CD2 3.03Å; I152-H194 WeakPolarHBondContact CD1-ND1 3.49Å; S192-H194 PolarHBondContact O-N 3.21Å; S192-H194 VanDerWaalsContact O-N 3.1Å; H194-S197 PolarHBondContact O-N 2.89Å; H194-F198 PolarHBondContact O-N 2.92Å; H194-F198 VanDerWaalsContact O-N 3.08Å; H194-T301 PolarHBondContact ND1-O 3.19Å; H194-Q443 PolarHBondContact CE1-OE1 3.48Å; H194-V444 HydrophobicContact CB-CG2 3.65Å
195	Q	98.8	Very high	98.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-74.6	-31.7	179.4	177.6	55.9	34.8	0	0	112	T150 I152 F153 F154 S192 F198 L199	T150-Q195 PolarHBondContact OG1-OE1 3.36Å; I152-Q195 HydrophobicContact CD1-CB 4.29Å; I152-Q195 HydrophobicContact CG1-CB 4.34Å; I152-Q195 PolarHBondContact O-OE1 2.76Å; F153-Q195 WeakPolarHBondContact O-CB 3.49Å; F154-Q195 HydrophobicContact CD1-CB 3.97Å; F154-Q195 HydrophobicContact CD1-CG 3.57Å; F154-Q195 HydrophobicContact CD2-CG 3.66Å; F154-Q195 HydrophobicContact CE1-CB 4.31Å; F154-Q195 HydrophobicContact CE1-CG 3.53Å; F154-Q195 HydrophobicContact CE2-CG 3.6Å; F154-Q195 HydrophobicContact CG-CB 4.1Å; F154-Q195 HydrophobicContact CG-CG 3.65Å; F154-Q195 HydrophobicContact CZ-CG 3.54Å; S192-Q195 PolarHBondContact O-N 2.59Å; S192-Q195 VanDerWaalsContact O-N 3.12Å; Q195-F198 PolarHBondContact O-N 3.28Å; Q195-L199 VanDerWaalsContact O-CB 3.26Å; Q195-L199 WeakPolarHBondContact O-CB 3.39Å; Q195-L199 PolarHBondContact O-N 3.26Å
196	V	98.8	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-46.2	171.6	169.7	0	0	0	0	109.9	F154 W183 W186 S192 L193 F198 L199 F200 M479	F154-V196 HydrophobicContact CD1-CG2 4.13Å; F154-V196 HydrophobicContact CE1-CG2 4.32Å; W183-V196 HydrophobicContact CH2-CG1 4.42Å; W183-V196 HydrophobicContact CZ3-CG1 4.32Å; W186-V196 HydrophobicContact CD2-CG2 3.81Å; W186-V196 HydrophobicContact CE3-CG2 4.19Å; W186-V196 HydrophobicContact CG-CG2 3.97Å; W186-V196 HydrophobicContact CZ2-CG2 4.5Å; S192-V196 WeakPolarHBondContact O-CB 3.42Å; S192-V196 WeakPolarHBondContact O-CG2 3.4Å; S192-V196 PolarHBondContact O-N 2.94Å; L193-V196 PolarHBondContact O-N 3.13Å; V196-F198 VanDerWaalsContact C-N 3.32Å; V196-F198 PolarHBondContact O-N 3.46Å; V196-L199 PolarHBondContact O-N 3.07Å; V196-F200 HydrophobicContact CG1-CD2 3.81Å; V196-F200 HydrophobicContact CG1-CE2 4.09Å; V196-F200 WeakPolarHBondContact O-CD2 3.36Å; V196-F200 PolarHBondContact O-N 2.93Å; V196-M479 HydrophobicContact CG1-CE 4.25Å
197	S	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.7	-39	175.3	-66.3	0	0	0	0	112.6	L193 H194 S201 V444 L460 Y490	L193-S197 WeakPolarHBondContact O-CB 3.44Å; L193-S197 PolarHBondContact O-N 3.3Å; L193-S197 PolarHBondContact O-OG 2.75Å; L193-S197 VanDerWaalsContact O-OG 3.11Å; H194-S197 PolarHBondContact O-N 2.89Å; S197-S201 PolarHBondContact O-N 2.8Å; S197-V444 WeakPolarHBondContact OG-CG1 3.23Å; S197-L460 WeakPolarHBondContact O-CD1 3.46Å; S197-Y490 WeakPolarHBondContact OG-CE1 3.42Å; S197-Y490 PolarHBondContact OG-OH 2.8Å
198	F	98.8	Very high	98.4	Very high	17 Å²	17	17.9 Å²	17.9	8%	0.075	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-46.1	173.8	-170	-82.4	0	0	0	111.8	H194 Q195 V196 F200 S201 R203	H194-F198 PolarHBondContact O-N 2.92Å; H194-F198 VanDerWaalsContact O-N 3.08Å; Q195-F198 PolarHBondContact O-N 3.28Å; V196-F198 VanDerWaalsContact C-N 3.32Å; V196-F198 PolarHBondContact O-N 3.46Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-F200 PolarHBondContact O-N 3.37Å; F198-S201 WeakPolarHBondContact O-CB 3.32Å; F198-S201 PolarHBondContact O-N 2.89Å; F198-S201 PolarHBondContact O-OG 3.33Å; F198-R203 HydrophobicContact CE1-CB 3.9Å; F198-R203 HydrophobicContact CZ-CB 3.93Å; F198-R203 HydrophobicContact CZ-CG 4.43Å
199	L	98.8	Very high	98.4	Very high	7 Å²	7	13.9 Å²	13.9	4%	0.037	7%	0.065	C	C	.	.	H	α-helix	trans	-61.1	-39.9	-179.2	176.2	64.4	0	0	0	112.5	R127 D128 P129 F154 W186 Q195 V196 S201 G204	R127-L199 HydrophobicContact CG-CD1 3.9Å; R127-L199 HydrophobicContact CG-CG 4.13Å; R127-L199 PolarHBondContact NH1-O 2.83Å; D128-L199 VanDerWaalsContact C-CD1 3.46Å; P129-L199 HydrophobicContact CG-CD1 4.45Å; F154-L199 HydrophobicContact CE1-CD2 3.97Å; F154-L199 HydrophobicContact CZ-CD2 4Å; W186-L199 HydrophobicContact CH2-CD2 4.02Å; W186-L199 HydrophobicContact CZ2-CD2 4.33Å; Q195-L199 VanDerWaalsContact O-CB 3.26Å; Q195-L199 WeakPolarHBondContact O-CB 3.39Å; Q195-L199 PolarHBondContact O-N 3.26Å; V196-L199 PolarHBondContact O-N 3.07Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-G204 VanDerWaalsContact O-CA 3.24Å; L199-G204 WeakPolarHBondContact O-CA 3.35Å
200	F	98.8	Very high	98.4	Very high	10 Å²	10	13.1 Å²	13.1	4%	0.044	6%	0.062	C	C	.	.	H	α-helix	trans	-88.2	-1.6	179.9	-74	-80.9	0	0	0	113.7	R127 W183 W186 V196 F198 L460 N463 V464 A467	R127-F200 VanDerWaalsContact CD-CD1 3.47Å; W183-F200 HydrophobicContact CH2-CD2 4.34Å; W183-F200 AromaticContact CH2-CE2 3.66Å; W183-F200 HydrophobicContact CH2-CE2 3.66Å; W183-F200 AromaticContact CH2-CZ 3.88Å; W183-F200 HydrophobicContact CH2-CZ 3.88Å; W183-F200 HydrophobicContact CZ2-CE1 4.39Å; W183-F200 AromaticContact CZ2-CE2 3.91Å; W183-F200 HydrophobicContact CZ2-CE2 3.91Å; W183-F200 AromaticContact CZ2-CZ 3.63Å; W183-F200 HydrophobicContact CZ2-CZ 3.63Å; W186-F200 HydrophobicContact CH2-CE2 4.16Å; W186-F200 AromaticContact CZ3-CE2 3.8Å; W186-F200 HydrophobicContact CZ3-CE2 3.8Å; W186-F200 HydrophobicContact CZ3-CZ 4.15Å; V196-F200 HydrophobicContact CG1-CD2 3.81Å; V196-F200 HydrophobicContact CG1-CE2 4.09Å; V196-F200 WeakPolarHBondContact O-CD2 3.36Å; V196-F200 PolarHBondContact O-N 2.93Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-F200 PolarHBondContact O-N 3.37Å; F200-L460 VanDerWaalsContact C-CD1 3.42Å; F200-L460 HydrophobicContact CB-CD1 3.63Å; F200-N463 HydrophobicContact CB-CB 4.22Å; F200-N463 HydrophobicContact CD1-CB 3.92Å; F200-N463 WeakPolarHBondContact O-CB 3.07Å; F200-N463 PolarHBondContact O-ND2 2.74Å; F200-V464 HydrophobicContact CB-CG2 3.51Å; F200-V464 HydrophobicContact CD1-CG2 4.28Å; F200-V464 HydrophobicContact CD2-CG2 4.07Å; F200-V464 HydrophobicContact CG-CG2 3.7Å; F200-A467 HydrophobicContact CE1-CB 3.43Å; F200-A467 VanDerWaalsContact CE1-CB 3.43Å; F200-A467 HydrophobicContact CZ-CB 3.76Å
201	S	98.6	Very high	98.5	Very high	7 Å²	7	13.2 Å²	13.2	5%	0.049	6%	0.061	C	C	.	.	S	Bend	trans	-71.5	178.1	165	81.1	0	0	0	0	111.4	R127 S197 F198 L199 R203 G204	R127-S201 PolarHBondContact NH1-O 3.48Å; S197-S201 PolarHBondContact O-N 2.8Å; F198-S201 WeakPolarHBondContact O-CB 3.32Å; F198-S201 PolarHBondContact O-N 2.89Å; F198-S201 PolarHBondContact O-OG 3.33Å; L199-S201 VanDerWaalsContact C-N 3.34Å; S201-R203 PolarHBondContact O-N 2.96Å; S201-R203 PolarHBondContact OG-N 2.94Å; S201-G204 PolarHBondContact O-N 2.86Å; S201-G204 VanDerWaalsContact O-N 3.14Å
202	D	98.3	Very high	98.5	Very high	35 Å²	35	13.3 Å²	13.3	19%	0.187	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-58.9	-30	176.7	-61.7	-16.7	0	0	0	111.9	G204 L205 N245 R459	D202-G204 PolarHBondContact O-N 3.24Å; D202-G204 VanDerWaalsContact O-N 3.09Å; D202-L205 PolarHBondContact O-N 3.44Å; D202-N245 HydrophobicContact CB-CB 4.29Å; D202-N245 WeakPolarHBondContact O-CB 3.45Å; D202-R459 IonicContact OD1-CZ 3.53Å; D202-R459 IonicContact OD1-NE 3.71Å; D202-R459 PolarHBondContact OD1-NE 3.06Å; D202-R459 IonicContact OD1-NH2 2.82Å; D202-R459 IonicContact OD2-CZ 2.89Å; D202-R459 IonicContact OD2-NE 3.3Å; D202-R459 PolarHBondContact OD2-NE 2.8Å; D202-R459 VanDerWaalsContact OD2-NE 3.17Å; D202-R459 IonicContact OD2-NH2 2.79Å; D202-R459 PolarHBondContact OD2-NH2 2.91Å
203	R	98.1	Very high	98.5	Very high	96 Å²	96	13.8 Å²	13.8	36%	0.362	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-69.8	-5.2	179.9	-61.9	-169.7	-178.7	-161.6	0.2	114.6	F198 S201 L205	F198-R203 HydrophobicContact CE1-CB 3.9Å; F198-R203 HydrophobicContact CZ-CB 3.93Å; F198-R203 HydrophobicContact CZ-CG 4.43Å; S201-R203 PolarHBondContact O-N 2.96Å; S201-R203 PolarHBondContact OG-N 2.94Å; R203-L205 PolarHBondContact O-N 3.25Å
204	G	98.2	Very high	98.5	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.021	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-71.1	-15.5	170.9	0	0	0	0	0	114.1	R127 D128 L199 S201 D202	R127-G204 WeakPolarHBondContact CA-O 3.34Å; D128-G204 PolarHBondContact N-O 3.12Å; L199-G204 VanDerWaalsContact O-CA 3.24Å; L199-G204 WeakPolarHBondContact O-CA 3.35Å; S201-G204 PolarHBondContact O-N 2.86Å; S201-G204 VanDerWaalsContact O-N 3.14Å; D202-G204 PolarHBondContact O-N 3.24Å; D202-G204 VanDerWaalsContact O-N 3.09Å
205	L	98.4	Very high	98.5	Very high	8 Å²	8	13.3 Å²	13.3	4%	0.042	6%	0.061	C	C	.	.	S	Bend	trans	-130.6	67	-178.3	-68.3	171.9	0	0	0	110.1	R127 D202 R203 N245 L246 V248 A251	R127-L205 HydrophobicContact CB-CD2 4.05Å; R127-L205 HydrophobicContact CB-CG 4.37Å; R127-L205 VanDerWaalsContact N-CD2 3.31Å; D202-L205 PolarHBondContact O-N 3.44Å; R203-L205 PolarHBondContact O-N 3.25Å; L205-N245 CarbonylContact O-C 3.54Å; L205-N245 VanDerWaalsContact O-CA 3.26Å; L205-N245 WeakPolarHBondContact O-CA 3.27Å; L205-N245 WeakPolarHBondContact O-CB 3.34Å; L205-L246 HydrophobicContact CB-CB 4.43Å; L205-L246 PolarHBondContact O-N 3.33Å; L205-V248 HydrophobicContact CD1-CG2 4.07Å; L205-A251 HydrophobicContact CD1-CB 3.81Å; L205-A251 HydrophobicContact CD2-CB 3.82Å; L205-A251 HydrophobicContact CG-CB 4.29Å
206	P	98.4	Very high	98.4	Very high	5 Å²	5	13.3 Å²	13.3	3%	0.032	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-63.1	145.5	177.5	27.9	-33.5	0	0	0	111.2	R130 G208 M212	R130-P206 HydrophobicContact CG-CG 3.78Å; P206-G208 PolarHBondContact O-N 3.39Å; P206-G208 VanDerWaalsContact O-N 3.15Å; P206-M212 HydrophobicContact CB-CB 3.97Å; P206-M212 HydrophobicContact CB-SD 4.46Å; P206-M212 HydrophobicContact CG-SD 4.16Å
207	D	98.4	Very high	98.4	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.043	6%	0.064	C	C	.	.	S	Bend	trans	-79.6	92.6	175.1	-171.9	-2.2	0	0	0	109.7	H211 K244 L246 Y261	D207-H211 WeakPolarHBondContact O-CB 3.43Å; D207-H211 PolarHBondContact O-CD2 3.13Å; D207-H211 VanDerWaalsContact O-CD2 3.24Å; D207-K244 HydrophobicContact CB-CB 4.1Å; D207-K244 HydrophobicContact CB-CD 4.16Å; D207-K244 HydrophobicContact CB-CG 3.97Å; D207-K244 PolarHBondContact N-O 2.83Å; D207-K244 VanDerWaalsContact OD2-CD 3.23Å; D207-K244 WeakPolarHBondContact OD2-CD 3.44Å; D207-K244 WeakPolarHBondContact OD2-CE 3.36Å; D207-K244 IonicContact OD2-NZ 2.76Å; D207-K244 PolarHBondContact OD2-NZ 3.43Å; D207-L246 HydrophobicContact CB-CD2 4.02Å; D207-L246 HydrophobicContact CB-CG 4.1Å; D207-Y261 WeakPolarHBondContact OD1-CE1 3.44Å; D207-Y261 PolarHBondContact OD1-OH 2.64Å
208	G	97.8	Very high	98.4	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	-174.5	-173.3	0	0	0	0	0	113.4	P206	P206-G208 PolarHBondContact O-N 3.39Å; P206-G208 VanDerWaalsContact O-N 3.15Å
209	H	98.3	Very high	98.4	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.014	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-21.6	-178.2	-59.9	-43.7	0	0	0	113.2	F113 M212 A262	F113-H209 HydrophobicContact CB-CB 4.08Å; F113-H209 VanDerWaalsContact CB-CG 3.48Å; F113-H209 HydrophobicContact CD1-CB 3.99Å; F113-H209 HydrophobicContact CD2-CB 3.75Å; F113-H209 AromaticContact CD2-CG 3.94Å; F113-H209 HydrophobicContact CE1-CB 4.26Å; F113-H209 HydrophobicContact CE2-CB 4.1Å; F113-H209 HydrophobicContact CG-CB 3.67Å; F113-H209 AromaticContact CG-CG 3.67Å; F113-H209 HydrophobicContact CZ-CB 4.33Å; H209-M212 HydrophobicContact CB-CE 4.27Å; H209-M212 WeakPolarHBondContact O-CG 3.45Å; H209-A262 PolarHBondContact CD2-O 3.44Å; H209-A262 VanDerWaalsContact CE1-CB 3.47Å; H209-A262 WeakPolarHBondContact CE1-CB 3.24Å; H209-A262 VanDerWaalsContact NE2-CB 3.32Å; H209-A262 WeakPolarHBondContact NE2-CB 3.34Å
210	R	98.2	Very high	98.4	Very high	25 Å²	25	13 Å²	13	9%	0.094	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23	-172.7	-56.5	-176.7	-59.7	127.5	-2.3	112.8	T239 Q241 D265 L266 D274 P276	R210-T239 PolarHBondContact O-OG1 2.96Å; R210-Q241 HydrophobicContact CB-CG 4.49Å; R210-Q241 PolarHBondContact O-NE2 3.34Å; R210-D265 IonicContact CZ-OD1 3.98Å; R210-D265 IonicContact CZ-OD2 3.15Å; R210-D265 IonicContact NE-OD1 2.68Å; R210-D265 PolarHBondContact NE-OD1 3.08Å; R210-D265 IonicContact NE-OD2 3.1Å; R210-D265 PolarHBondContact NE-OD2 3.4Å; R210-D265 IonicContact NH2-OD1 2.81Å; R210-D265 PolarHBondContact NH2-OD1 3.18Å; R210-D265 IonicContact NH2-OD2 3.91Å; R210-L266 HydrophobicContact CG-CD1 4.14Å; R210-D274 IonicContact CZ-OD2 3.78Å; R210-D274 IonicContact NH1-OD2 2.72Å; R210-D274 PolarHBondContact NH1-OD2 3.3Å; R210-P276 HydrophobicContact CB-CB 4.04Å; R210-P276 HydrophobicContact CG-CB 3.7Å; R210-P276 HydrophobicContact CG-CG 3.89Å
211	H	98.4	Very high	98.4	Very high	29 Å²	29	12.9 Å²	12.9	13%	0.134	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	24.3	-174.9	-64.3	-70.9	0	0	0	114.3	D207 Q241 G242 I243 K244	D207-H211 WeakPolarHBondContact O-CB 3.43Å; D207-H211 PolarHBondContact O-CD2 3.13Å; D207-H211 VanDerWaalsContact O-CD2 3.24Å; H211-Q241 PolarHBondContact ND1-O 2.8Å; H211-G242 WeakPolarHBondContact CA-O 3.37Å; H211-G242 WeakPolarHBondContact CB-O 3.43Å; H211-G242 PolarHBondContact ND1-O 3.32Å; H211-I243 WeakPolarHBondContact O-CA 3.41Å; H211-I243 WeakPolarHBondContact O-CD1 3.41Å; H211-K244 HydrophobicContact CB-CB 3.68Å; H211-K244 PolarHBondContact O-N 2.97Å
212	M	98.4	Very high	98.4	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.025	6%	0.058	C	C	.	.	S	Bend	trans	-123	155.7	172.6	68.7	-176	-176.4	0	0	111.3	F113 R130 F132 N149 P206 H209 W278	F113-M212 HydrophobicContact CB-CE 4.45Å; F113-M212 HydrophobicContact CD1-CE 3.26Å; F113-M212 HydrophobicContact CE1-CE 3.73Å; F113-M212 HydrophobicContact CG-CE 4.18Å; R130-M212 HydrophobicContact CB-CE 3.78Å; R130-M212 HydrophobicContact CB-SD 3.44Å; R130-M212 WeakPolarHBondContact CB-SD 3.48Å; R130-M212 HydrophobicContact CG-CE 4.4Å; R130-M212 HydrophobicContact CG-SD 3.67Å; F132-M212 HydrophobicContact CD2-CE 4.21Å; N149-M212 HydrophobicContact CB-CB 4.3Å; N149-M212 HydrophobicContact CB-CG 4.23Å; N149-M212 HydrophobicContact CB-SD 3.72Å; P206-M212 HydrophobicContact CB-CB 3.97Å; P206-M212 HydrophobicContact CB-SD 4.46Å; P206-M212 HydrophobicContact CG-SD 4.16Å; H209-M212 HydrophobicContact CB-CE 4.27Å; H209-M212 WeakPolarHBondContact O-CG 3.45Å; M212-W278 PolarHBondContact O-NE1 2.89Å
213	N	98.2	Very high	98.4	Very high	10 Å²	10	11 Å²	11	5%	0.053	5%	0.05	C	C	.	.			trans	-79.2	169.1	169.1	-69.6	-10.5	0	0	0	110.5	N149 Y215 K237 T239 I243	N149-N213 VanDerWaalsContact CA-O 3.24Å; N149-N213 WeakPolarHBondContact CA-O 3.39Å; N149-N213 WeakPolarHBondContact CB-O 3.47Å; N213-Y215 HydrophobicContact CB-CE2 3.6Å; N213-Y215 WeakPolarHBondContact CB-OH 3.26Å; N213-Y215 PolarHBondContact ND2-OH 2.68Å; N213-K237 WeakPolarHBondContact ND2-CG 3.32Å; N213-K237 PolarHBondContact ND2-O 3.04Å; N213-K237 VanDerWaalsContact OD1-C 3.29Å; N213-K237 PolarHBondContact OD1-O 3.24Å; N213-T239 PolarHBondContact OD1-N 3.01Å; N213-I243 HydrophobicContact CB-CD1 4.48Å; N213-I243 WeakPolarHBondContact OD1-CD1 3.42Å
214	G	98.3	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	163	158.1	0	0	0	0	0	113.5	N148 Y236	N148-G214 CarbonylContact O-C 3.54Å; N148-G214 VanDerWaalsContact O-CA 3.31Å; N148-G214 WeakPolarHBondContact O-CA 3.45Å; G214-Y236 VanDerWaalsContact C-CE2 3.45Å; G214-Y236 VanDerWaalsContact C-CZ 3.44Å; G214-Y236 VanDerWaalsContact CA-CD2 3.43Å; G214-Y236 PolarHBondContact N-O 3.49Å; G214-Y236 CarbonylContact O-C 3.58Å; G214-Y236 PolarHBondContact O-N 3.2Å
215	Y	98.7	Very high	98.4	Very high	9 Å²	9	11.2 Å²	11.2	4%	0.035	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.9	-170.6	-52.2	-92.6	0	0	0	108.9	G147 N148 N149 P151 N213 S217 F234 H235 K237	G147-Y215 CarbonylContact C-O 3.53Å; G147-Y215 WeakPolarHBondContact CA-O 3.47Å; N148-Y215 PolarHBondContact N-O 2.72Å; N148-Y215 PolarHBondContact O-N 3.06Å; N149-Y215 WeakPolarHBondContact O-CE2 3.36Å; P151-Y215 HydrophobicContact CB-CD1 3.85Å; P151-Y215 HydrophobicContact CB-CE1 4.19Å; P151-Y215 HydrophobicContact CB-CG 4.05Å; N213-Y215 HydrophobicContact CB-CE2 3.6Å; N213-Y215 WeakPolarHBondContact CB-OH 3.26Å; N213-Y215 PolarHBondContact ND2-OH 2.68Å; Y215-S217 PolarHBondContact O-N 3.23Å; Y215-F234 WeakPolarHBondContact CA-O 3.29Å; Y215-H235 AromaticContact CD1-CE1 3.88Å; Y215-H235 AromaticContact CD1-ND1 3.32Å; Y215-H235 VanDerWaalsContact CD1-ND1 3.32Å; Y215-H235 WeakPolarHBondContact CD1-ND1 3.34Å; Y215-H235 AromaticContact CE1-ND1 3.41Å; Y215-H235 WeakPolarHBondContact CE1-ND1 3.17Å; Y215-K237 HydrophobicContact CE1-CB 4.38Å; Y215-K237 HydrophobicContact CE1-CG 4.1Å
216	G	98.3	Very high	98.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	10%	0.099	C	C	.	.			trans	-65.6	-17.7	165.4	0	0	0	0	0	112.9	H218 F234	G216-H218 PolarHBondContact O-CD2 3.3Å; G216-H218 PolarHBondContact O-N 3.44Å; G216-F234 PolarHBondContact N-O 2.88Å
217	S	98.4	Very high	98.2	Very high	8 Å²	8	18.6 Å²	18.6	6%	0.056	12%	0.119	C	C	.	.			trans	61.7	-58	-175.6	-43.8	0	0	0	0	113.4	T150 P151 Y215 K233	T150-S217 PolarHBondContact O-OG 3.26Å; P151-S217 WeakPolarHBondContact O-CA 3.33Å; Y215-S217 PolarHBondContact O-N 3.23Å; S217-K233 WeakPolarHBondContact O-CD 3.28Å; S217-K233 WeakPolarHBondContact O-CE 3.28Å; S217-K233 PolarHBondContact O-NZ 2.99Å
218	H	98.8	Very high	98.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.019	15%	0.145	C	C	.	.	S	Bend	trans	-63.2	156.1	177.8	-56.8	-74	0	0	0	112.9	G216 F220 K233 L300 D349 L352 R355	G216-H218 PolarHBondContact O-CD2 3.3Å; G216-H218 PolarHBondContact O-N 3.44Å; H218-F220 HydrophobicContact CB-CD2 4.23Å; H218-F220 HydrophobicContact CB-CE2 3.7Å; H218-F220 HydrophobicContact CB-CZ 4.06Å; H218-F220 WeakPolarHBondContact O-CD2 3.33Å; H218-K233 WeakPolarHBondContact O-CD 3.37Å; H218-L300 WeakPolarHBondContact CE1-CD2 3.33Å; H218-L300 WeakPolarHBondContact ND1-CD1 3.33Å; H218-D349 IonicContact CE1-OD2 3.41Å; H218-D349 IonicContact CG-OD2 3.38Å; H218-D349 IonicContact ND1-OD1 2.92Å; H218-D349 IonicContact ND1-OD2 3.01Å; H218-D349 PolarHBondContact ND1-OD2 3.37Å; H218-L352 HydrophobicContact CB-CB 4.24Å; H218-L352 HydrophobicContact CB-CD1 4.49Å; H218-L352 HydrophobicContact CB-CD2 4.13Å; H218-L352 PolarHBondContact CE1-N 2.8Å; H218-R355 PolarHBondContact CD2-NH1 3.27Å; H218-R355 VanDerWaalsContact NE2-CD 3.34Å; H218-R355 WeakPolarHBondContact NE2-CD 3.42Å; H218-R355 PolarHBondContact NE2-NH1 2.64Å
219	T	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.			trans	-75.5	132.9	160.1	-59.9	0	0	0	0	108.4	Y231 C232 K233 P297 F298 W304 S347	T219-Y231 HydrophobicContact CG2-CD1 3.95Å; T219-Y231 HydrophobicContact CG2-CG 4.05Å; T219-C232 CarbonylContact C-O 3.43Å; T219-C232 WeakPolarHBondContact CA-O 2.96Å; T219-K233 VanDerWaalsContact N-NZ 3.18Å; T219-K233 WeakPolarHBondContact OG1-CE 3.22Å; T219-K233 PolarHBondContact OG1-NZ 2.96Å; T219-P297 PolarHBondContact OG1-O 3.19Å; T219-F298 HydrophobicContact CG2-CD1 3.87Å; T219-F298 HydrophobicContact CG2-CE1 4.05Å; T219-W304 HydrophobicContact CG2-CH2 3.82Å; T219-W304 HydrophobicContact CG2-CZ2 3.54Å; T219-W304 WeakPolarHBondContact OG1-CZ2 3.37Å; T219-S347 WeakPolarHBondContact O-CB 3.4Å; T219-S347 PolarHBondContact O-OG 2.79Å
220	F	98.9	Very high	98.1	Very high	6 Å²	6	27 Å²	27	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	173.2	172	-67.5	-93.6	0	0	0	109.2	L145 H218 Y231 C232 F234 M340 L352	L145-F220 HydrophobicContact CD1-CE2 4.15Å; L145-F220 HydrophobicContact CD1-CZ 4.17Å; H218-F220 HydrophobicContact CB-CD2 4.23Å; H218-F220 HydrophobicContact CB-CE2 3.7Å; H218-F220 HydrophobicContact CB-CZ 4.06Å; H218-F220 WeakPolarHBondContact O-CD2 3.33Å; F220-Y231 CarbonylContact O-C 3.4Å; F220-Y231 VanDerWaalsContact O-CA 3.26Å; F220-Y231 WeakPolarHBondContact O-CA 3.35Å; F220-C232 PolarHBondContact N-O 3.42Å; F220-C232 PolarHBondContact O-N 2.87Å; F220-F234 HydrophobicContact CB-CE2 3.88Å; F220-F234 HydrophobicContact CD1-CE2 4.43Å; F220-F234 AromaticContact CD2-CD2 3.6Å; F220-F234 HydrophobicContact CD2-CD2 3.6Å; F220-F234 AromaticContact CD2-CE2 3.73Å; F220-F234 HydrophobicContact CD2-CE2 3.73Å; F220-F234 AromaticContact CE2-CD2 3.99Å; F220-F234 HydrophobicContact CE2-CD2 3.99Å; F220-F234 HydrophobicContact CE2-CE2 4.36Å; F220-F234 HydrophobicContact CG-CD2 4.14Å; F220-F234 AromaticContact CG-CE2 3.76Å; F220-F234 HydrophobicContact CG-CE2 3.76Å; F220-M340 HydrophobicContact CD1-SD 4.29Å; F220-M340 HydrophobicContact CE1-SD 4.45Å; F220-L352 HydrophobicContact CD1-CD2 3.94Å; F220-L352 HydrophobicContact CE1-CD1 3.88Å; F220-L352 HydrophobicContact CE1-CD2 3.82Å; F220-L352 HydrophobicContact CZ-CD1 4.11Å; F220-L352 HydrophobicContact CZ-CD2 4.34Å
221	K	98.8	Very high	98.2	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.5	175.6	-177.8	172.9	53.7	166.8	0	109.1	V223 C229 V230 Y231 F287 E345 S422	K221-V223 HydrophobicContact CG-CG2 4.49Å; K221-C229 HydrophobicContact CD-CB 4.21Å; K221-C229 HydrophobicContact CG-CB 4.27Å; K221-V230 CarbonylContact C-O 3.49Å; K221-V230 WeakPolarHBondContact CA-O 3.39Å; K221-Y231 HydrophobicContact CB-CD1 4.18Å; K221-Y231 HydrophobicContact CB-CE1 4.3Å; K221-Y231 HydrophobicContact CD-CE1 4.46Å; K221-F287 HydrophobicContact CD-CE2 4.46Å; K221-F287 HydrophobicContact CD-CZ 3.91Å; K221-E345 HydrophobicContact CB-CB 4.17Å; K221-E345 WeakPolarHBondContact CE-OE2 3.46Å; K221-E345 PolarHBondContact N-O 3.09Å; K221-E345 IonicContact NZ-OE2 3.91Å; K221-E345 PolarHBondContact NZ-OE2 3.13Å; K221-E345 PolarHBondContact O-N 2.89Å; K221-S422 VanDerWaalsContact CE-OG 3.28Å; K221-S422 WeakPolarHBondContact CE-OG 3.22Å; K221-S422 PolarHBondContact NZ-OG 3.47Å
222	L	98.8	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.2	172.9	-57.2	179.7	0	0	0	109.1	Y94 C95 C229 V230 C232 F234 I282 G343 I344	Y94-L222 CarbonylContact O-C 3.58Å; Y94-L222 WeakPolarHBondContact O-CB 3.45Å; C95-L222 HydrophobicContact CB-CB 4.13Å; C95-L222 HydrophobicContact CB-CD1 4.3Å; C95-L222 HydrophobicContact CB-CD2 4.25Å; C95-L222 HydrophobicContact CB-CG 4.46Å; L222-C229 WeakPolarHBondContact O-CA 3.26Å; L222-V230 HydrophobicContact CB-CG2 3.99Å; L222-V230 PolarHBondContact N-O 3.41Å; L222-V230 PolarHBondContact O-N 3.47Å; L222-C232 HydrophobicContact CD1-CB 3.75Å; L222-C232 HydrophobicContact CG-CB 3.93Å; L222-C232 VanDerWaalsContact CG-SG 3.59Å; L222-F234 HydrophobicContact CD2-CE1 4.49Å; L222-F234 HydrophobicContact CD2-CZ 3.97Å; L222-I282 HydrophobicContact CD1-CD1 4.06Å; L222-G343 CarbonylContact C-O 3.4Å; L222-G343 WeakPolarHBondContact CA-O 3.37Å; L222-I344 HydrophobicContact CD2-CG1 4.14Å
223	V	98.6	Very high	98.2	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.8	-179.8	-171.2	0	0	0	0	108.8	Y94 C95 K96 K221 K228 G343 E345	Y94-V223 CarbonylContact O-C 3.32Å; Y94-V223 PolarHBondContact O-N 3.05Å; C95-V223 CarbonylContact C-O 3.35Å; C95-V223 WeakPolarHBondContact CA-O 3.47Å; K96-V223 WeakPolarHBondContact CG-O 3.28Å; K96-V223 PolarHBondContact N-O 3.24Å; K221-V223 HydrophobicContact CG-CG2 4.49Å; V223-K228 WeakPolarHBondContact CA-O 3.26Å; V223-G343 PolarHBondContact N-O 3.38Å; V223-G343 WeakPolarHBondContact O-CA 3.24Å; V223-E345 HydrophobicContact CG2-CG 4.34Å; V223-E345 WeakPolarHBondContact CG2-OE1 3.37Å
224	N	97.9	Very high	98.2	Very high	14 Å²	14	25 Å²	25	8%	0.075	15%	0.15	C	C	.	.			trans	-86	-178.8	179.6	80.6	-0	0	0	0	112.4	R93 Y94 D226 G227 K228	R93-N224 WeakPolarHBondContact O-CB 3.48Å; R93-N224 PolarHBondContact O-ND2 2.91Å; Y94-N224 PolarHBondContact O-N 3Å; N224-D226 PolarHBondContact O-N 3.42Å; N224-D226 WeakPolarHBondContact OD1-CA 3.46Å; N224-D226 WeakPolarHBondContact OD1-CB 3.45Å; N224-D226 PolarHBondContact OD1-N 2.94Å; N224-G227 PolarHBondContact O-N 3.26Å; N224-G227 PolarHBondContact OD1-N 3.46Å; N224-K228 PolarHBondContact N-O 3.21Å; N224-K228 WeakPolarHBondContact OD1-CB 3.43Å; N224-K228 PolarHBondContact OD1-N 3.18Å
225	A	97.1	Very high	98.2	Very high	87 Å²	87	25.4 Å²	25.4	72%	0.719	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.8	-178.1	0	0	0	0	0	113.6	G227	A225-G227 VanDerWaalsContact C-N 3.25Å; A225-G227 PolarHBondContact O-N 3.32Å
226	D	96.6	Very high	97.7	Very high	125 Å²	125	25 Å²	25	67%	0.668	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-0	176.5	-54.1	-40.1	0	0	0	112.9	N224 K228	N224-D226 PolarHBondContact O-N 3.42Å; N224-D226 WeakPolarHBondContact OD1-CA 3.46Å; N224-D226 WeakPolarHBondContact OD1-CB 3.45Å; N224-D226 PolarHBondContact OD1-N 2.94Å; D226-K228 VanDerWaalsContact C-N 3.28Å; D226-K228 HydrophobicContact CB-CG 4.25Å; D226-K228 PolarHBondContact O-N 3.31Å
227	G	96	Very high	96.4	Very high	43 Å²	43	27.8 Å²	27.8	44%	0.443	16%	0.162	S	C	.	.			trans	76.7	9.3	-174.3	0	0	0	0	0	114.5	N224 A225	N224-G227 PolarHBondContact O-N 3.26Å; N224-G227 PolarHBondContact OD1-N 3.46Å; A225-G227 VanDerWaalsContact C-N 3.25Å; A225-G227 PolarHBondContact O-N 3.32Å
228	K	97.1	Very high	95.2	Very high	138 Å²	138	32.8 Å²	32.8	60%	0.6	18%	0.183	S	C	*	.			trans	-74.4	135.1	175.4	-62.8	179.6	-177.3	171.4	0	110	V223 N224 D226	V223-K228 WeakPolarHBondContact CA-O 3.26Å; N224-K228 PolarHBondContact N-O 3.21Å; N224-K228 WeakPolarHBondContact OD1-CB 3.43Å; N224-K228 PolarHBondContact OD1-N 3.18Å; D226-K228 VanDerWaalsContact C-N 3.28Å; D226-K228 HydrophobicContact CB-CG 4.25Å; D226-K228 PolarHBondContact O-N 3.31Å
229	C	97.8	Very high	94.8	Very high	31 Å²	31	32.8 Å²	32.8	21%	0.209	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.3	-175.6	-60.1	0	0	0	0	111.6	K221 L222 F287 S422	K221-C229 HydrophobicContact CD-CB 4.21Å; K221-C229 HydrophobicContact CG-CB 4.27Å; L222-C229 WeakPolarHBondContact O-CA 3.26Å; C229-F287 HydrophobicContact CB-CD2 4.43Å; C229-F287 HydrophobicContact CB-CE2 3.53Å; C229-F287 HydrophobicContact CB-CZ 3.66Å; C229-S422 WeakPolarHBondContact SG-CB 3.12Å
230	V	98.6	Very high	94.4	Very high	21 Å²	21	35.3 Å²	35.3	13%	0.127	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.7	166.4	-64.2	0	0	0	0	109.3	Y94 K221 L222 V284	Y94-V230 HydrophobicContact CD1-CG2 4.11Å; Y94-V230 HydrophobicContact CG-CG2 4.46Å; K221-V230 CarbonylContact C-O 3.49Å; K221-V230 WeakPolarHBondContact CA-O 3.39Å; L222-V230 HydrophobicContact CB-CG2 3.99Å; L222-V230 PolarHBondContact N-O 3.41Å; L222-V230 PolarHBondContact O-N 3.47Å; V230-V284 HydrophobicContact CB-CG1 3.86Å; V230-V284 HydrophobicContact CG1-CG1 4.18Å; V230-V284 HydrophobicContact CG2-CG1 3.83Å
231	Y	98.8	Very high	94.2	Very high	18 Å²	18	37.3 Å²	37.3	7%	0.071	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	151	168	-66.5	-61.7	0	0	0	110.8	T219 F220 K221 V284 M285 F287 A290 F298	T219-Y231 HydrophobicContact CG2-CD1 3.95Å; T219-Y231 HydrophobicContact CG2-CG 4.05Å; F220-Y231 CarbonylContact O-C 3.4Å; F220-Y231 VanDerWaalsContact O-CA 3.26Å; F220-Y231 WeakPolarHBondContact O-CA 3.35Å; K221-Y231 HydrophobicContact CB-CD1 4.18Å; K221-Y231 HydrophobicContact CB-CE1 4.3Å; K221-Y231 HydrophobicContact CD-CE1 4.46Å; Y231-V284 WeakPolarHBondContact O-CA 3.44Å; Y231-M285 PolarHBondContact N-O 2.85Å; Y231-M285 PolarHBondContact O-N 3.43Å; Y231-F287 HydrophobicContact CD2-CD2 4.06Å; Y231-F287 HydrophobicContact CD2-CE2 4.09Å; Y231-F287 HydrophobicContact CE1-CE2 4.32Å; Y231-F287 HydrophobicContact CE1-CZ 4.25Å; Y231-F287 HydrophobicContact CE2-CD1 4.32Å; Y231-F287 AromaticContact CE2-CD2 3.84Å; Y231-F287 HydrophobicContact CE2-CD2 3.84Å; Y231-F287 HydrophobicContact CE2-CE1 4.29Å; Y231-F287 AromaticContact CE2-CE2 3.8Å; Y231-F287 HydrophobicContact CE2-CE2 3.8Å; Y231-F287 HydrophobicContact CE2-CG 4.1Å; Y231-F287 HydrophobicContact CE2-CZ 4.04Å; Y231-F287 HydrophobicContact CG-CE2 4.47Å; Y231-F287 AromaticContact CZ-CE2 3.93Å; Y231-F287 AromaticContact CZ-CZ 3.77Å; Y231-A290 HydrophobicContact CD2-CB 3.92Å; Y231-A290 HydrophobicContact CE2-CB 3.99Å; Y231-F298 AromaticContact CD1-CE1 3.79Å; Y231-F298 HydrophobicContact CD1-CE1 3.79Å; Y231-F298 AromaticContact CD2-CE1 3.9Å; Y231-F298 HydrophobicContact CD2-CE1 3.9Å; Y231-F298 HydrophobicContact CD2-CZ 4.08Å; Y231-F298 AromaticContact CE1-CE1 3.52Å; Y231-F298 HydrophobicContact CE1-CE1 3.52Å; Y231-F298 AromaticContact CE1-CZ 3.97Å; Y231-F298 HydrophobicContact CE1-CZ 3.97Å; Y231-F298 AromaticContact CE2-CE1 3.64Å; Y231-F298 HydrophobicContact CE2-CE1 3.64Å; Y231-F298 AromaticContact CE2-CZ 3.44Å; Y231-F298 HydrophobicContact CE2-CZ 3.44Å; Y231-F298 VanDerWaalsContact CE2-CZ 3.44Å; Y231-F298 AromaticContact CG-CE1 3.98Å; Y231-F298 HydrophobicContact CG-CE1 3.98Å; Y231-F298 AromaticContact CZ-CE1 3.43Å; Y231-F298 VanDerWaalsContact CZ-CE1 3.43Å; Y231-F298 AromaticContact CZ-CZ 3.37Å; Y231-F298 WeakPolarHBondContact OH-CZ 3.49Å
232	C	98.8	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.1	175.2	79	0	0	0	0	113.8	T219 F220 L222 Q283	T219-C232 CarbonylContact C-O 3.43Å; T219-C232 WeakPolarHBondContact CA-O 2.96Å; F220-C232 PolarHBondContact N-O 3.42Å; F220-C232 PolarHBondContact O-N 2.87Å; L222-C232 HydrophobicContact CD1-CB 3.75Å; L222-C232 HydrophobicContact CG-CB 3.93Å; L222-C232 VanDerWaalsContact CG-SG 3.59Å; C232-Q283 WeakPolarHBondContact CA-O 3.24Å; C232-Q283 VanDerWaalsContact CB-O 3.23Å; C232-Q283 WeakPolarHBondContact CB-O 3.45Å
233	K	98.8	Very high	94	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	160.8	-66.6	-72.1	-163.8	-175.4	0	108.2	S217 H218 T219 H235 I282 Q283 W304	S217-K233 WeakPolarHBondContact O-CD 3.28Å; S217-K233 WeakPolarHBondContact O-CE 3.28Å; S217-K233 PolarHBondContact O-NZ 2.99Å; H218-K233 WeakPolarHBondContact O-CD 3.37Å; T219-K233 VanDerWaalsContact N-NZ 3.18Å; T219-K233 WeakPolarHBondContact OG1-CE 3.22Å; T219-K233 PolarHBondContact OG1-NZ 2.96Å; K233-H235 PolarHBondContact O-CD2 3.27Å; K233-I282 CarbonylContact O-C 3.54Å; K233-I282 VanDerWaalsContact O-CA 3.22Å; K233-I282 WeakPolarHBondContact O-CA 3.44Å; K233-Q283 HydrophobicContact CB-CB 4.27Å; K233-Q283 PolarHBondContact N-O 3.2Å; K233-Q283 VanDerWaalsContact N-O 3.11Å; K233-Q283 PolarHBondContact O-N 3.14Å; K233-W304 HydrophobicContact CB-CE3 4.44Å; K233-W304 HydrophobicContact CG-CD2 3.76Å; K233-W304 HydrophobicContact CG-CE3 3.66Å; K233-W304 HydrophobicContact CG-CG 4.37Å; K233-W304 HydrophobicContact CG-CH2 4.18Å; K233-W304 HydrophobicContact CG-CZ2 4.29Å; K233-W304 HydrophobicContact CG-CZ3 3.88Å
234	F	98.7	Very high	94	Very high	2 Å²	2	47 Å²	47	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.9	173.9	-63.3	-70.3	0	0	0	111.6	W143 L145 Y215 G216 F220 L222 F280 I282 I344	W143-F234 HydrophobicContact CH2-CE1 4.11Å; W143-F234 HydrophobicContact CH2-CZ 4.28Å; W143-F234 HydrophobicContact CZ2-CE1 4.09Å; W143-F234 HydrophobicContact CZ2-CE2 4.07Å; W143-F234 AromaticContact CZ2-CZ 3.82Å; W143-F234 HydrophobicContact CZ2-CZ 3.82Å; L145-F234 HydrophobicContact CD1-CB 4.27Å; L145-F234 HydrophobicContact CD1-CD2 3.63Å; L145-F234 HydrophobicContact CD1-CE2 4.28Å; L145-F234 HydrophobicContact CD1-CG 4.19Å; L145-F234 HydrophobicContact CD2-CB 3.75Å; L145-F234 HydrophobicContact CD2-CD2 4.26Å; L145-F234 HydrophobicContact CD2-CG 3.99Å; Y215-F234 WeakPolarHBondContact CA-O 3.29Å; G216-F234 PolarHBondContact N-O 2.88Å; F220-F234 HydrophobicContact CB-CE2 3.88Å; F220-F234 HydrophobicContact CD1-CE2 4.43Å; F220-F234 AromaticContact CD2-CD2 3.6Å; F220-F234 HydrophobicContact CD2-CD2 3.6Å; F220-F234 AromaticContact CD2-CE2 3.73Å; F220-F234 HydrophobicContact CD2-CE2 3.73Å; F220-F234 AromaticContact CE2-CD2 3.99Å; F220-F234 HydrophobicContact CE2-CD2 3.99Å; F220-F234 HydrophobicContact CE2-CE2 4.36Å; F220-F234 HydrophobicContact CG-CD2 4.14Å; F220-F234 AromaticContact CG-CE2 3.76Å; F220-F234 HydrophobicContact CG-CE2 3.76Å; L222-F234 HydrophobicContact CD2-CE1 4.49Å; L222-F234 HydrophobicContact CD2-CZ 3.97Å; F234-F280 HydrophobicContact CB-CZ 3.98Å; F234-F280 AromaticContact CD1-CE1 3.56Å; F234-F280 HydrophobicContact CD1-CE1 3.56Å; F234-F280 AromaticContact CD1-CZ 3.44Å; F234-F280 HydrophobicContact CD1-CZ 3.44Å; F234-F280 VanDerWaalsContact CD1-CZ 3.44Å; F234-F280 HydrophobicContact CE1-CE1 4.16Å; F234-F280 HydrophobicContact CE1-CZ 4.2Å; F234-F280 HydrophobicContact CG-CE1 4.48Å; F234-F280 AromaticContact CG-CZ 3.99Å; F234-F280 HydrophobicContact CG-CZ 3.99Å; F234-I282 HydrophobicContact CD1-CG2 3.54Å; F234-I282 HydrophobicContact CE1-CG2 3.78Å; F234-I344 HydrophobicContact CZ-CG2 4.44Å
235	H	97.4	Very high	94	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	116.5	-176.1	-74.2	-100.2	0	0	0	109.7	Y215 K233 K237 F280 Y281 Q283 H306 L311	Y215-H235 AromaticContact CD1-CE1 3.88Å; Y215-H235 AromaticContact CD1-ND1 3.32Å; Y215-H235 VanDerWaalsContact CD1-ND1 3.32Å; Y215-H235 WeakPolarHBondContact CD1-ND1 3.34Å; Y215-H235 AromaticContact CE1-ND1 3.41Å; Y215-H235 WeakPolarHBondContact CE1-ND1 3.17Å; K233-H235 PolarHBondContact O-CD2 3.27Å; H235-K237 VanDerWaalsContact C-N 3.33Å; H235-K237 HydrophobicContact CB-CB 4.08Å; H235-F280 CarbonylContact O-C 3.59Å; H235-Y281 PolarHBondContact N-O 3.29Å; H235-Y281 WeakPolarHBondContact O-CA 3.2Å; H235-Y281 PolarHBondContact O-N 2.64Å; H235-Q283 PolarHBondContact CE1-OE1 3.19Å; H235-Q283 PolarHBondContact NE2-OE1 3.41Å; H235-H306 AromaticContact CE1-NE2 3.82Å; H235-L311 HydrophobicContact CB-CD2 4.07Å
236	Y	89.3	Confident	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	62.4	166.2	31.5	-71.3	0	0	0	107.1	F132 V134 L145 G147 G214 T279 F280 L317	F132-Y236 HydrophobicContact CB-CE2 4.17Å; F132-Y236 HydrophobicContact CD1-CD2 4.4Å; F132-Y236 AromaticContact CD1-CE2 3.59Å; F132-Y236 HydrophobicContact CD1-CE2 3.59Å; F132-Y236 AromaticContact CD2-CD2 3.87Å; F132-Y236 HydrophobicContact CD2-CD2 3.87Å; F132-Y236 AromaticContact CD2-CE2 3.39Å; F132-Y236 HydrophobicContact CD2-CE2 3.39Å; F132-Y236 HydrophobicContact CE1-CD2 4.03Å; F132-Y236 AromaticContact CE1-CE2 3.64Å; F132-Y236 HydrophobicContact CE1-CE2 3.64Å; F132-Y236 AromaticContact CE2-CD2 3.45Å; F132-Y236 HydrophobicContact CE2-CD2 3.45Å; F132-Y236 VanDerWaalsContact CE2-CD2 3.45Å; F132-Y236 AromaticContact CE2-CE2 3.45Å; F132-Y236 HydrophobicContact CE2-CE2 3.45Å; F132-Y236 VanDerWaalsContact CE2-CE2 3.45Å; F132-Y236 HydrophobicContact CG-CD2 4.33Å; F132-Y236 AromaticContact CG-CE2 3.46Å; F132-Y236 HydrophobicContact CG-CE2 3.46Å; F132-Y236 VanDerWaalsContact CG-CE2 3.46Å; F132-Y236 AromaticContact CZ-CD2 3.55Å; F132-Y236 HydrophobicContact CZ-CD2 3.55Å; F132-Y236 AromaticContact CZ-CE2 3.58Å; F132-Y236 HydrophobicContact CZ-CE2 3.58Å; F132-Y236 PolarHBondContact O-OH 3.22Å; V134-Y236 HydrophobicContact CG2-CE2 4.47Å; L145-Y236 HydrophobicContact CD2-CD1 4.36Å; L145-Y236 HydrophobicContact CD2-CE1 3.75Å; L145-Y236 HydrophobicContact CG-CE1 4.44Å; G147-Y236 WeakPolarHBondContact CA-OH 3.34Å; G214-Y236 VanDerWaalsContact C-CE2 3.45Å; G214-Y236 VanDerWaalsContact C-CZ 3.44Å; G214-Y236 VanDerWaalsContact CA-CD2 3.43Å; G214-Y236 PolarHBondContact N-O 3.49Å; G214-Y236 CarbonylContact O-C 3.58Å; G214-Y236 PolarHBondContact O-N 3.2Å; Y236-T279 CarbonylContact C-O 3.51Å; Y236-T279 WeakPolarHBondContact CA-O 3.42Å; Y236-F280 AromaticContact CD1-CD2 3.88Å; Y236-F280 HydrophobicContact CD1-CD2 3.88Å; Y236-F280 AromaticContact CD1-CE2 3.7Å; Y236-F280 HydrophobicContact CD1-CE2 3.7Å; Y236-F280 HydrophobicContact CE1-CE2 4.37Å; Y236-F280 HydrophobicContact CG-CD2 4.29Å; Y236-L317 HydrophobicContact CD2-CD1 4.26Å; Y236-L317 HydrophobicContact CG-CD1 4.06Å
237	K	69.9	Low	94.1	Very high	60 Å²	60	42.4 Å²	42.4	26%	0.261	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-12.8	-159.2	-171.3	-165.3	176.8	-175.7	0	113.9	N213 Y215 H235 T279 H306 L311	N213-K237 WeakPolarHBondContact ND2-CG 3.32Å; N213-K237 PolarHBondContact ND2-O 3.04Å; N213-K237 VanDerWaalsContact OD1-C 3.29Å; N213-K237 PolarHBondContact OD1-O 3.24Å; Y215-K237 HydrophobicContact CE1-CB 4.38Å; Y215-K237 HydrophobicContact CE1-CG 4.1Å; H235-K237 VanDerWaalsContact C-N 3.33Å; H235-K237 HydrophobicContact CB-CB 4.08Å; K237-T279 PolarHBondContact N-O 3.48Å; K237-H306 PolarHBondContact NZ-CE1 3.41Å; K237-H306 PolarHBondContact NZ-ND1 2.86Å; K237-H306 PolarHBondContact NZ-NE2 3.24Å; K237-H306 VanDerWaalsContact NZ-NE2 3.1Å; K237-L311 HydrophobicContact CD-CD1 3.46Å; K237-L311 VanDerWaalsContact CD-CD1 3.46Å
238	K	72.8	Confident	94.2	Very high	113 Å²	113	42.6 Å²	42.6	49%	0.491	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	89.5	169.6	-167.2	-176.1	174.6	-165.7	0	106.5	D240 W278 T279 Y281	K238-D240 WeakPolarHBondContact CD-OD1 3.46Å; K238-D240 WeakPolarHBondContact CE-OD1 3.3Å; K238-D240 WeakPolarHBondContact CG-OD1 3.33Å; K238-D240 IonicContact NZ-OD1 2.81Å; K238-D240 PolarHBondContact O-N 3.01Å; K238-D240 VanDerWaalsContact O-N 3.13Å; K238-W278 CarbonylContact O-C 3.49Å; K238-W278 VanDerWaalsContact O-CA 3.22Å; K238-W278 WeakPolarHBondContact O-CA 2.91Å; K238-T279 PolarHBondContact O-N 2.81Å; K238-Y281 HydrophobicContact CB-CE2 4.22Å
239	T	90.5	Very high	94.2	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	116.8	152.1	165.9	0	0	0	0	106.1	R210 N213 Q241 G242 I243	R210-T239 PolarHBondContact O-OG1 2.96Å; N213-T239 PolarHBondContact OD1-N 3.01Å; T239-Q241 PolarHBondContact O-N 3.16Å; T239-Q241 VanDerWaalsContact O-N 3.15Å; T239-Q241 PolarHBondContact OG1-N 3.18Å; T239-Q241 PolarHBondContact OG1-NE2 3.13Å; T239-G242 VanDerWaalsContact CG2-C 3.44Å; T239-G242 WeakPolarHBondContact CG2-O 3.24Å; T239-G242 PolarHBondContact O-N 2.93Å; T239-I243 HydrophobicContact CG2-CD1 3.81Å; T239-I243 HydrophobicContact CG2-CG1 4.16Å
240	D	91.4	Very high	94.2	Very high	53 Å²	53	44.3 Å²	44.3	28%	0.283	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.4	-177.7	-70.9	-33.5	0	0	0	111.2	K238 S277 T279 K316	K238-D240 WeakPolarHBondContact CD-OD1 3.46Å; K238-D240 WeakPolarHBondContact CE-OD1 3.3Å; K238-D240 WeakPolarHBondContact CG-OD1 3.33Å; K238-D240 IonicContact NZ-OD1 2.81Å; K238-D240 PolarHBondContact O-N 3.01Å; K238-D240 VanDerWaalsContact O-N 3.13Å; D240-S277 PolarHBondContact N-O 2.85Å; D240-S277 PolarHBondContact OD2-OG 2.93Å; D240-T279 PolarHBondContact OD1-OG1 3.24Å; D240-K316 WeakPolarHBondContact OD2-CE 3.32Å; D240-K316 IonicContact OD2-NZ 2.76Å
241	Q	95.1	Very high	94.2	Very high	48 Å²	48	43.4 Å²	43.4	22%	0.224	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.3	172.7	-55.8	70.4	-123.2	0	0	113.1	R210 H211 T239 S277	R210-Q241 HydrophobicContact CB-CG 4.49Å; R210-Q241 PolarHBondContact O-NE2 3.34Å; H211-Q241 PolarHBondContact ND1-O 2.8Å; T239-Q241 PolarHBondContact O-N 3.16Å; T239-Q241 VanDerWaalsContact O-N 3.15Å; T239-Q241 PolarHBondContact OG1-N 3.18Å; T239-Q241 PolarHBondContact OG1-NE2 3.13Å; Q241-S277 PolarHBondContact NE2-O 3.16Å; Q241-S277 PolarHBondContact OE1-O 3.5Å
242	G	96.1	Very high	94.1	Very high	35 Å²	35	47.7 Å²	47.7	36%	0.361	25%	0.247	S	C	.	.			trans	81.5	152.2	-175.4	0	0	0	0	0	114.2	H211 T239	H211-G242 WeakPolarHBondContact CA-O 3.37Å; H211-G242 WeakPolarHBondContact CB-O 3.43Å; H211-G242 PolarHBondContact ND1-O 3.32Å; T239-G242 VanDerWaalsContact CG2-C 3.44Å; T239-G242 WeakPolarHBondContact CG2-O 3.24Å; T239-G242 PolarHBondContact O-N 2.93Å
243	I	97.3	Very high	94.1	Very high	68 Å²	68	53.3 Å²	53.3	35%	0.349	27%	0.268	S	S	.	.			trans	-72.2	129.5	175.7	-68	-66.7	0	0	0	109.5	H211 N213 T239	H211-I243 WeakPolarHBondContact O-CA 3.41Å; H211-I243 WeakPolarHBondContact O-CD1 3.41Å; N213-I243 HydrophobicContact CB-CD1 4.48Å; N213-I243 WeakPolarHBondContact OD1-CD1 3.42Å; T239-I243 HydrophobicContact CG2-CD1 3.81Å; T239-I243 HydrophobicContact CG2-CG1 4.16Å
244	K	97.9	Very high	94.1	Very high	110 Å²	110	53.3 Å²	53.3	48%	0.478	27%	0.268	S	S	.	.			trans	-143.4	137.9	175.7	-165.9	-178.5	176.7	-147.9	0	109	D207 H211	D207-K244 HydrophobicContact CB-CB 4.1Å; D207-K244 HydrophobicContact CB-CD 4.16Å; D207-K244 HydrophobicContact CB-CG 3.97Å; D207-K244 PolarHBondContact N-O 2.83Å; D207-K244 VanDerWaalsContact OD2-CD 3.23Å; D207-K244 WeakPolarHBondContact OD2-CD 3.44Å; D207-K244 WeakPolarHBondContact OD2-CE 3.36Å; D207-K244 IonicContact OD2-NZ 2.76Å; D207-K244 PolarHBondContact OD2-NZ 3.43Å; H211-K244 HydrophobicContact CB-CB 3.68Å; H211-K244 PolarHBondContact O-N 2.97Å
245	N	98.3	Very high	94.1	Very high	51 Å²	51	54.5 Å²	54.5	27%	0.273	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-128.3	152.2	-178.1	-47.5	-59.5	0	0	0	109.6	D202 L205	D202-N245 HydrophobicContact CB-CB 4.29Å; D202-N245 WeakPolarHBondContact O-CB 3.45Å; L205-N245 CarbonylContact O-C 3.54Å; L205-N245 VanDerWaalsContact O-CA 3.26Å; L205-N245 WeakPolarHBondContact O-CA 3.27Å; L205-N245 WeakPolarHBondContact O-CB 3.34Å
246	L	98.3	Very high	94.1	Very high	20 Å²	20	58.2 Å²	58.2	11%	0.105	31%	0.31	C	S	.	.			trans	-84	148.7	171.8	-60.2	171.5	0	0	0	109.9	T125 L205 D207 E250 A251 L254	T125-L246 HydrophobicContact CG2-CD1 3.58Å; L205-L246 HydrophobicContact CB-CB 4.43Å; L205-L246 PolarHBondContact O-N 3.33Å; D207-L246 HydrophobicContact CB-CD2 4.02Å; D207-L246 HydrophobicContact CB-CG 4.1Å; L246-E250 HydrophobicContact CD2-CG 4.05Å; L246-A251 HydrophobicContact CB-CB 4.15Å; L246-A251 HydrophobicContact CD1-CB 4.36Å; L246-L254 HydrophobicContact CD1-CD1 3.9Å; L246-L254 HydrophobicContact CD2-CD1 4.14Å
247	S	97.8	Very high	94.5	Very high	58 Å²	58	62.5 Å²	62.5	41%	0.406	34%	0.337	S	S	.	.			trans	-69	163.9	163.7	88.1	0	0	0	0	109.8	E249 E250 A251	S247-E249 VanDerWaalsContact C-N 3.31Å; S247-E249 VanDerWaalsContact CB-OE2 3.32Å; S247-E249 WeakPolarHBondContact CB-OE2 3.43Å; S247-E249 PolarHBondContact O-N 2.74Å; S247-E249 PolarHBondContact OG-N 2.78Å; S247-E249 PolarHBondContact OG-OE2 3.34Å; S247-E250 PolarHBondContact O-N 2.95Å; S247-E250 PolarHBondContact OG-N 2.76Å; S247-A251 VanDerWaalsContact O-CB 3.25Å; S247-A251 WeakPolarHBondContact O-CB 3.31Å; S247-A251 PolarHBondContact O-N 3.38Å
248	V	97.3	Very high	95.8	Very high	48 Å²	48	62.8 Å²	62.8	29%	0.291	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-43.5	177.9	176.5	0	0	0	0	110.6	L205 E250 A251 D252 N463	L205-V248 HydrophobicContact CD1-CG2 4.07Å; V248-E250 PolarHBondContact O-N 3.31Å; V248-A251 PolarHBondContact O-N 2.98Å; V248-D252 WeakPolarHBondContact O-CB 3.46Å; V248-D252 VanDerWaalsContact O-CG 3.29Å; V248-D252 PolarHBondContact O-N 3.1Å; V248-N463 WeakPolarHBondContact CG2-OD1 3.48Å
249	E	97.6	Very high	97	Very high	139 Å²	139	59.7 Å²	59.7	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-64.4	-41.9	-178.4	-55.3	74.1	-161.5	0	0	111.8	S247 R253	S247-E249 VanDerWaalsContact C-N 3.31Å; S247-E249 VanDerWaalsContact CB-OE2 3.32Å; S247-E249 WeakPolarHBondContact CB-OE2 3.43Å; S247-E249 PolarHBondContact O-N 2.74Å; S247-E249 PolarHBondContact OG-N 2.78Å; S247-E249 PolarHBondContact OG-OE2 3.34Å; E249-R253 WeakPolarHBondContact O-CB 2.98Å; E249-R253 PolarHBondContact O-N 2.76Å
250	E	97.9	Very high	97.4	Very high	66 Å²	66	63 Å²	63	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-71.1	-39.4	178.4	-179.8	61.7	-179.6	0	0	111.6	L246 S247 V248 R253 L254	L246-E250 HydrophobicContact CD2-CG 4.05Å; S247-E250 PolarHBondContact O-N 2.95Å; S247-E250 PolarHBondContact OG-N 2.76Å; V248-E250 PolarHBondContact O-N 3.31Å; E250-R253 PolarHBondContact O-N 3.09Å; E250-R253 IonicContact OE1-CZ 3.48Å; E250-R253 IonicContact OE1-NE 2.77Å; E250-R253 IonicContact OE1-NH2 3.35Å; E250-R253 PolarHBondContact OE1-NH2 2.71Å; E250-R253 IonicContact OE2-CZ 3.92Å; E250-R253 IonicContact OE2-NE 3.21Å; E250-R253 PolarHBondContact OE2-NE 3.44Å; E250-R253 IonicContact OE2-NH2 2.68Å; E250-R253 PolarHBondContact OE2-NH2 3.27Å; E250-L254 HydrophobicContact CG-CD1 4.09Å; E250-L254 WeakPolarHBondContact O-CB 3.32Å; E250-L254 WeakPolarHBondContact O-CG 3.24Å; E250-L254 PolarHBondContact O-N 3.48Å
251	A	98.3	Very high	97.7	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-43.7	174.8	0	0	0	0	0	111.9	T125 L205 L246 S247 V248 L254 A255	T125-A251 WeakPolarHBondContact O-CB 3.48Å; T125-A251 PolarHBondContact OG1-O 3.4Å; L205-A251 HydrophobicContact CD1-CB 3.81Å; L205-A251 HydrophobicContact CD2-CB 3.82Å; L205-A251 HydrophobicContact CG-CB 4.29Å; L246-A251 HydrophobicContact CB-CB 4.15Å; L246-A251 HydrophobicContact CD1-CB 4.36Å; S247-A251 VanDerWaalsContact O-CB 3.25Å; S247-A251 WeakPolarHBondContact O-CB 3.31Å; S247-A251 PolarHBondContact O-N 3.38Å; V248-A251 PolarHBondContact O-N 2.98Å; A251-L254 PolarHBondContact O-N 2.87Å; A251-A255 VanDerWaalsContact O-CB 3.31Å; A251-A255 WeakPolarHBondContact O-CB 3.48Å; A251-A255 PolarHBondContact O-N 3.06Å
252	D	97.7	Very high	97.9	Very high	109 Å²	109	61 Å²	61	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-63.7	-42.5	175.9	-73.9	-16.9	0	0	0	111.5	V248 A255 A256	V248-D252 WeakPolarHBondContact O-CB 3.46Å; V248-D252 VanDerWaalsContact O-CG 3.29Å; V248-D252 PolarHBondContact O-N 3.1Å; D252-A255 PolarHBondContact O-N 3.49Å; D252-A256 PolarHBondContact O-N 2.69Å
253	R	98.5	Very high	98	Very high	117 Å²	117	61.4 Å²	61.4	44%	0.442	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-46.2	175.7	-169.8	-167.3	68.6	72.2	-2.3	111.6	E249 E250 A255 A256 T257	E249-R253 WeakPolarHBondContact O-CB 2.98Å; E249-R253 PolarHBondContact O-N 2.76Å; E250-R253 PolarHBondContact O-N 3.09Å; E250-R253 IonicContact OE1-CZ 3.48Å; E250-R253 IonicContact OE1-NE 2.77Å; E250-R253 IonicContact OE1-NH2 3.35Å; E250-R253 PolarHBondContact OE1-NH2 2.71Å; E250-R253 IonicContact OE2-CZ 3.92Å; E250-R253 IonicContact OE2-NE 3.21Å; E250-R253 PolarHBondContact OE2-NE 3.44Å; E250-R253 IonicContact OE2-NH2 2.68Å; E250-R253 PolarHBondContact OE2-NH2 3.27Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A256 PolarHBondContact O-N 3.47Å; R253-T257 HydrophobicContact CG-CG2 4.39Å; R253-T257 PolarHBondContact NH1-OG1 3.28Å; R253-T257 WeakPolarHBondContact O-CB 3.41Å; R253-T257 WeakPolarHBondContact O-CG2 3.48Å; R253-T257 PolarHBondContact O-N 3.41Å; R253-T257 PolarHBondContact O-OG1 3.24Å
254	L	98.4	Very high	98.1	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-36.6	178.1	-74.4	173.3	0	0	0	111.7	T125 L246 E250 A251 A256 T257 N258 Y261	T125-L254 HydrophobicContact CG2-CB 3.96Å; T125-L254 HydrophobicContact CG2-CD1 4.19Å; T125-L254 WeakPolarHBondContact OG1-CB 3.15Å; L246-L254 HydrophobicContact CD1-CD1 3.9Å; L246-L254 HydrophobicContact CD2-CD1 4.14Å; E250-L254 HydrophobicContact CG-CD1 4.09Å; E250-L254 WeakPolarHBondContact O-CB 3.32Å; E250-L254 WeakPolarHBondContact O-CG 3.24Å; E250-L254 PolarHBondContact O-N 3.48Å; A251-L254 PolarHBondContact O-N 2.87Å; L254-A256 PolarHBondContact O-N 3.33Å; L254-T257 PolarHBondContact O-N 3.09Å; L254-N258 CarbonylContact O-C 3.47Å; L254-N258 WeakPolarHBondContact O-CA 3.46Å; L254-N258 PolarHBondContact O-N 2.61Å; L254-N258 VanDerWaalsContact O-O 3.06Å; L254-Y261 HydrophobicContact CD1-CD1 4.41Å; L254-Y261 HydrophobicContact CD1-CD2 3.99Å; L254-Y261 HydrophobicContact CD1-CE1 4.42Å; L254-Y261 HydrophobicContact CD1-CE2 4Å; L254-Y261 HydrophobicContact CD1-CG 4.21Å; L254-Y261 HydrophobicContact CD2-CD2 3.81Å; L254-Y261 HydrophobicContact CD2-CE2 4.14Å; L254-Y261 HydrophobicContact CG-CD2 4.45Å
255	A	97.9	Very high	98.1	Very high	27 Å²	27	55 Å²	55	22%	0.223	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-32	178.7	0	0	0	0	0	112.4	A123 T125 A251 D252 R253	A123-A255 HydrophobicContact CB-CB 3.65Å; T125-A255 WeakPolarHBondContact OG1-CA 3.21Å; T125-A255 PolarHBondContact OG1-N 3.14Å; A251-A255 VanDerWaalsContact O-CB 3.31Å; A251-A255 WeakPolarHBondContact O-CB 3.48Å; A251-A255 PolarHBondContact O-N 3.06Å; D252-A255 PolarHBondContact O-N 3.49Å; R253-A255 VanDerWaalsContact C-N 3.34Å
256	A	97.2	Very high	98.1	Very high	85 Å²	85	52.8 Å²	52.8	70%	0.702	30%	0.295	S	S	*	.	H	α-helix	trans	-86.4	-41.6	175.2	0	0	0	0	0	113.5	D252 R253 L254	D252-A256 PolarHBondContact O-N 2.69Å; R253-A256 PolarHBondContact O-N 3.47Å; L254-A256 PolarHBondContact O-N 3.33Å
257	T	97.9	Very high	98.1	Very high	90 Å²	90	54.4 Å²	54.4	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-86.9	-27.4	-171.6	55.6	0	0	0	0	114.3	R253 L254	R253-T257 HydrophobicContact CG-CG2 4.39Å; R253-T257 PolarHBondContact NH1-OG1 3.28Å; R253-T257 WeakPolarHBondContact O-CB 3.41Å; R253-T257 WeakPolarHBondContact O-CG2 3.48Å; R253-T257 PolarHBondContact O-N 3.41Å; R253-T257 PolarHBondContact O-OG1 3.24Å; L254-T257 PolarHBondContact O-N 3.09Å
258	N	97.7	Very high	98.2	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	29%	0.287	S	S	.	.			trans	-151.7	77.5	179.2	-173.8	4.3	0	0	0	109.9	L254 D260 Y261	L254-N258 CarbonylContact O-C 3.47Å; L254-N258 WeakPolarHBondContact O-CA 3.46Å; L254-N258 PolarHBondContact O-N 2.61Å; L254-N258 VanDerWaalsContact O-O 3.06Å; N258-D260 PolarHBondContact O-N 2.84Å; N258-D260 PolarHBondContact OD1-N 3.05Å; N258-Y261 WeakPolarHBondContact O-CB 3.05Å; N258-Y261 PolarHBondContact O-N 2.96Å; N258-Y261 PolarHBondContact OD1-N 2.98Å
259	P	98.3	Very high	98.2	Very high	49 Å²	49	50.6 Å²	50.6	32%	0.318	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.5	-178.6	25.8	-35.1	0	0	0	113.5	K77 A123 D124	K77-P259 PolarHBondContact NZ-O 2.95Å; A123-P259 CarbonylContact C-O 3.55Å; A123-P259 WeakPolarHBondContact CA-O 3.45Å; A123-P259 HydrophobicContact CB-CB 4.01Å; D124-P259 VanDerWaalsContact CG-O 3.31Å; D124-P259 PolarHBondContact N-O 2.77Å
260	D	98.6	Very high	98.3	Very high	75 Å²	75	44.4 Å²	44.4	40%	0.401	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	26	178.7	-56.3	-45.5	0	0	0	112.3	K77 D124 N258 A262 I263 G264	K77-D260 WeakPolarHBondContact CE-OD1 3.37Å; K77-D260 IonicContact NZ-OD1 2.65Å; K77-D260 PolarHBondContact NZ-OD1 3.18Å; D124-D260 WeakPolarHBondContact OD2-CA 3.38Å; N258-D260 PolarHBondContact O-N 2.84Å; N258-D260 PolarHBondContact OD1-N 3.05Å; D260-A262 VanDerWaalsContact C-N 3.31Å; D260-A262 PolarHBondContact O-N 2.79Å; D260-I263 HydrophobicContact CB-CB 4.38Å; D260-I263 HydrophobicContact CB-CD1 4.23Å; D260-I263 PolarHBondContact O-N 2.8Å; D260-G264 PolarHBondContact O-N 3.45Å
261	Y	98.7	Very high	98.3	Very high	54 Å²	54	43.3 Å²	43.3	21%	0.212	25%	0.248	C	C	.	.	H	α-helix	trans	-49	-48.1	-176	177	-98.6	0	0	0	113.5	D124 T125 D207 L254 N258 G264 D265	D124-Y261 PolarHBondContact OD2-N 3.12Å; T125-Y261 HydrophobicContact CG2-CD1 3.73Å; T125-Y261 HydrophobicContact CG2-CG 4.02Å; D207-Y261 WeakPolarHBondContact OD1-CE1 3.44Å; D207-Y261 PolarHBondContact OD1-OH 2.64Å; L254-Y261 HydrophobicContact CD1-CD1 4.41Å; L254-Y261 HydrophobicContact CD1-CD2 3.99Å; L254-Y261 HydrophobicContact CD1-CE1 4.42Å; L254-Y261 HydrophobicContact CD1-CE2 4Å; L254-Y261 HydrophobicContact CD1-CG 4.21Å; L254-Y261 HydrophobicContact CD2-CD2 3.81Å; L254-Y261 HydrophobicContact CD2-CE2 4.14Å; L254-Y261 HydrophobicContact CG-CD2 4.45Å; N258-Y261 WeakPolarHBondContact O-CB 3.05Å; N258-Y261 PolarHBondContact O-N 2.96Å; N258-Y261 PolarHBondContact OD1-N 2.98Å; Y261-G264 PolarHBondContact O-N 3Å; Y261-D265 WeakPolarHBondContact O-CB 3.36Å; Y261-D265 PolarHBondContact O-N 3.31Å
262	A	98.5	Very high	98.2	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-79	-29.2	-173.5	0	0	0	0	0	112.1	D124 H209 D260 L266	D124-A262 HydrophobicContact CB-CB 3.86Å; D124-A262 WeakPolarHBondContact OD2-CB 3.3Å; D124-A262 PolarHBondContact OD2-N 2.81Å; H209-A262 PolarHBondContact CD2-O 3.44Å; H209-A262 VanDerWaalsContact CE1-CB 3.47Å; H209-A262 WeakPolarHBondContact CE1-CB 3.24Å; H209-A262 VanDerWaalsContact NE2-CB 3.32Å; H209-A262 WeakPolarHBondContact NE2-CB 3.34Å; D260-A262 VanDerWaalsContact C-N 3.31Å; D260-A262 PolarHBondContact O-N 2.79Å; A262-L266 WeakPolarHBondContact O-CB 3.24Å; A262-L266 PolarHBondContact O-N 2.98Å; A262-L266 VanDerWaalsContact O-N 3.15Å
263	I	98.7	Very high	98.2	Very high	43 Å²	43	45 Å²	45	22%	0.221	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-49.7	167.7	-64	167.9	0	0	0	109.7	G78 A79 D124 D260 L266 F267	G78-I263 WeakPolarHBondContact O-CD1 3.21Å; A79-I263 HydrophobicContact CB-CB 4.35Å; A79-I263 HydrophobicContact CB-CG1 3.77Å; D124-I263 PolarHBondContact OD2-N 2.87Å; D260-I263 HydrophobicContact CB-CB 4.38Å; D260-I263 HydrophobicContact CB-CD1 4.23Å; D260-I263 PolarHBondContact O-N 2.8Å; I263-L266 PolarHBondContact O-N 2.76Å; I263-F267 WeakPolarHBondContact O-CB 3.49Å; I263-F267 PolarHBondContact O-N 3.05Å
264	G	98.2	Very high	98.2	Very high	15 Å²	15	43.5 Å²	43.5	16%	0.155	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-45.5	-179.6	0	0	0	0	0	113.2	D260 Y261 N268	D260-G264 PolarHBondContact O-N 3.45Å; Y261-G264 PolarHBondContact O-N 3Å; G264-N268 VanDerWaalsContact O-CB 3.31Å; G264-N268 WeakPolarHBondContact O-CB 3.26Å; G264-N268 PolarHBondContact O-N 3.22Å; G264-N268 PolarHBondContact O-ND2 3.1Å
265	D	98.6	Very high	98.2	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.16	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-53.3	175.3	170.3	69.7	0	0	0	111.6	R210 Y261 F267 N268 A269	R210-D265 IonicContact CZ-OD1 3.98Å; R210-D265 IonicContact CZ-OD2 3.15Å; R210-D265 IonicContact NE-OD1 2.68Å; R210-D265 PolarHBondContact NE-OD1 3.08Å; R210-D265 IonicContact NE-OD2 3.1Å; R210-D265 PolarHBondContact NE-OD2 3.4Å; R210-D265 IonicContact NH2-OD1 2.81Å; R210-D265 PolarHBondContact NH2-OD1 3.18Å; R210-D265 IonicContact NH2-OD2 3.91Å; Y261-D265 WeakPolarHBondContact O-CB 3.36Å; Y261-D265 PolarHBondContact O-N 3.31Å; D265-F267 PolarHBondContact O-N 2.86Å; D265-N268 PolarHBondContact O-N 2.79Å; D265-A269 VanDerWaalsContact O-CB 3.32Å; D265-A269 WeakPolarHBondContact O-CB 3.47Å; D265-A269 PolarHBondContact O-N 3.41Å
266	L	98.8	Very high	98.2	Very high	3 Å²	3	46 Å²	46	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-45.1	-177.1	-179.4	62	0	0	0	111.8	A79 A81 F113 R210 A262 I263 I270 P276	A79-L266 HydrophobicContact CB-CD2 4.03Å; A81-L266 HydrophobicContact CB-CD2 4.09Å; A81-L266 HydrophobicContact CB-CG 4.47Å; F113-L266 HydrophobicContact CD2-CD2 3.77Å; F113-L266 HydrophobicContact CE2-CD2 3.88Å; R210-L266 HydrophobicContact CG-CD1 4.14Å; A262-L266 WeakPolarHBondContact O-CB 3.24Å; A262-L266 PolarHBondContact O-N 2.98Å; A262-L266 VanDerWaalsContact O-N 3.15Å; I263-L266 PolarHBondContact O-N 2.76Å; L266-I270 HydrophobicContact CD1-CD1 3.9Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 4.18Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.33Å; L266-P276 HydrophobicContact CD1-CG 3.96Å
267	F	98.7	Very high	98.2	Very high	54 Å²	54	42.5 Å²	42.5	24%	0.237	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-48.3	179.8	-175	-76.8	0	0	0	111.2	K7 T8 I263 D265 I270 A271 N322	K7-F267 HydrophobicContact CB-CE1 4.47Å; T8-F267 HydrophobicContact CG2-CB 3.66Å; T8-F267 HydrophobicContact CG2-CD1 3.27Å; T8-F267 HydrophobicContact CG2-CE1 4.08Å; T8-F267 HydrophobicContact CG2-CG 3.65Å; I263-F267 WeakPolarHBondContact O-CB 3.49Å; I263-F267 PolarHBondContact O-N 3.05Å; D265-F267 PolarHBondContact O-N 2.86Å; F267-I270 PolarHBondContact O-N 3.05Å; F267-A271 HydrophobicContact CD1-CB 4.24Å; F267-A271 HydrophobicContact CE1-CB 4.13Å; F267-A271 VanDerWaalsContact O-CB 3.25Å; F267-A271 WeakPolarHBondContact O-CB 3.35Å; F267-A271 PolarHBondContact O-N 2.68Å; F267-N322 WeakPolarHBondContact CA-OD1 3.49Å; F267-N322 HydrophobicContact CD2-CB 4.01Å; F267-N322 HydrophobicContact CE2-CB 3.93Å; F267-N322 PolarHBondContact O-ND2 3.01Å
268	N	98.3	Very high	98.3	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-41.3	-178.6	-79.5	-36.2	0	0	0	111.9	K7 T8 G264 D265 I270 A271 N272	K7-N268 PolarHBondContact N-OD1 2.94Å; T8-N268 WeakPolarHBondContact CG2-OD1 3.38Å; T8-N268 PolarHBondContact N-OD1 3.25Å; T8-N268 PolarHBondContact OG1-ND2 2.93Å; T8-N268 PolarHBondContact OG1-OD1 3.39Å; G264-N268 VanDerWaalsContact O-CB 3.31Å; G264-N268 WeakPolarHBondContact O-CB 3.26Å; G264-N268 PolarHBondContact O-N 3.22Å; G264-N268 PolarHBondContact O-ND2 3.1Å; D265-N268 PolarHBondContact O-N 2.79Å; N268-I270 PolarHBondContact O-N 2.91Å; N268-A271 PolarHBondContact O-N 3.21Å; N268-N272 VanDerWaalsContact O-CB 3.26Å; N268-N272 WeakPolarHBondContact O-CB 3.45Å; N268-N272 PolarHBondContact O-N 3.42Å; N268-N272 PolarHBondContact O-ND2 3.47Å; N268-N272 VanDerWaalsContact O-ND2 3.12Å
269	A	98.4	Very high	98.3	Very high	6 Å²	6	36.2 Å²	36.2	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-56.5	-51	176.5	0	0	0	0	0	111	D265 N272 G273 D274	D265-A269 VanDerWaalsContact O-CB 3.32Å; D265-A269 WeakPolarHBondContact O-CB 3.47Å; D265-A269 PolarHBondContact O-N 3.41Å; A269-N272 PolarHBondContact O-N 2.99Å; A269-G273 PolarHBondContact O-N 2.88Å; A269-D274 CarbonylContact C-O 3.57Å; A269-D274 HydrophobicContact CB-CB 4.43Å; A269-D274 CarbonylContact O-C 3.08Å; A269-D274 WeakPolarHBondContact O-CA 3.4Å; A269-D274 PolarHBondContact O-N 2.97Å
270	I	98.6	Very high	98.3	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.046	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-44.2	178.4	-66.2	171.1	0	0	0	111.5	A81 L266 F267 N268 N272 G273 F275 L319 N322	A81-I270 HydrophobicContact CB-CD1 3.51Å; L266-I270 HydrophobicContact CD1-CD1 3.9Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 4.18Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.33Å; F267-I270 PolarHBondContact O-N 3.05Å; N268-I270 PolarHBondContact O-N 2.91Å; I270-N272 PolarHBondContact O-N 3Å; I270-G273 PolarHBondContact O-N 2.62Å; I270-F275 HydrophobicContact CG2-CD1 4.32Å; I270-F275 HydrophobicContact CG2-CE1 4.2Å; I270-F275 WeakPolarHBondContact O-CE1 3.28Å; I270-L319 HydrophobicContact CD1-CB 4.14Å; I270-N322 HydrophobicContact CG2-CB 4.48Å
271	A	97.6	Very high	98.3	Very high	42 Å²	42	32.5 Å²	32.5	35%	0.347	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-25.1	-179.9	0	0	0	0	0	113.1	K7 F267 N268	K7-A271 HydrophobicContact CB-CB 3.62Å; K7-A271 HydrophobicContact CG-CB 3.91Å; F267-A271 HydrophobicContact CD1-CB 4.24Å; F267-A271 HydrophobicContact CE1-CB 4.13Å; F267-A271 VanDerWaalsContact O-CB 3.25Å; F267-A271 WeakPolarHBondContact O-CB 3.35Å; F267-A271 PolarHBondContact O-N 2.68Å; N268-A271 PolarHBondContact O-N 3.21Å
272	N	97.2	Very high	98.3	Very high	104 Å²	104	30 Å²	30	56%	0.556	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	0.2	176.7	-67.9	-27.9	0	0	0	113.5	K7 N268 A269 I270 D274	K7-N272 WeakPolarHBondContact CG-OD1 3.35Å; N268-N272 VanDerWaalsContact O-CB 3.26Å; N268-N272 WeakPolarHBondContact O-CB 3.45Å; N268-N272 PolarHBondContact O-N 3.42Å; N268-N272 PolarHBondContact O-ND2 3.47Å; N268-N272 VanDerWaalsContact O-ND2 3.12Å; A269-N272 PolarHBondContact O-N 2.99Å; I270-N272 PolarHBondContact O-N 3Å; N272-D274 VanDerWaalsContact C-N 3.31Å
273	G	97.7	Very high	98.3	Very high	42 Å²	42	30 Å²	30	43%	0.433	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	5.2	-177.6	0	0	0	0	0	115	A269 I270 F275	A269-G273 PolarHBondContact O-N 2.88Å; I270-G273 PolarHBondContact O-N 2.62Å; G273-F275 PolarHBondContact O-N 2.81Å
274	D	97.5	Very high	98.3	Very high	86 Å²	86	29 Å²	29	46%	0.46	17%	0.168	S	C	.	.			trans	-82	68.1	172	-177.3	29	0	0	0	109.7	R210 A269 N272 P276	R210-D274 IonicContact CZ-OD2 3.78Å; R210-D274 IonicContact NH1-OD2 2.72Å; R210-D274 PolarHBondContact NH1-OD2 3.3Å; A269-D274 CarbonylContact C-O 3.57Å; A269-D274 HydrophobicContact CB-CB 4.43Å; A269-D274 CarbonylContact O-C 3.08Å; A269-D274 WeakPolarHBondContact O-CA 3.4Å; A269-D274 PolarHBondContact O-N 2.97Å; N272-D274 VanDerWaalsContact C-N 3.31Å; D274-P276 VanDerWaalsContact O-CD 3.22Å; D274-P276 WeakPolarHBondContact O-CD 3.22Å
275	F	98.4	Very high	98.4	Very high	88 Å²	88	28.2 Å²	28.2	39%	0.386	16%	0.16	S	C	.	.			trans	-68.6	112.2	-173.4	-58.3	-39.7	0	0	0	111.3	I270 G273 V318 L319 N320	I270-F275 HydrophobicContact CG2-CD1 4.32Å; I270-F275 HydrophobicContact CG2-CE1 4.2Å; I270-F275 WeakPolarHBondContact O-CE1 3.28Å; G273-F275 PolarHBondContact O-N 2.81Å; F275-V318 HydrophobicContact CB-CG1 4.15Å; F275-L319 WeakPolarHBondContact CB-O 3.36Å; F275-N320 HydrophobicContact CB-CB 4.41Å; F275-N320 VanDerWaalsContact CD1-CA 3.47Å; F275-N320 HydrophobicContact CD1-CB 3.74Å; F275-N320 HydrophobicContact CD2-CB 3.9Å; F275-N320 HydrophobicContact CE1-CB 3.86Å; F275-N320 HydrophobicContact CE2-CB 4.03Å; F275-N320 HydrophobicContact CG-CB 3.75Å; F275-N320 HydrophobicContact CZ-CB 4.01Å
276	P	98.3	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.			trans	-69.1	145.4	178.4	29.2	-33.8	0	0	0	110.6	R210 L266 D274 W278 L319	R210-P276 HydrophobicContact CB-CB 4.04Å; R210-P276 HydrophobicContact CG-CB 3.7Å; R210-P276 HydrophobicContact CG-CG 3.89Å; L266-P276 HydrophobicContact CD1-CG 3.96Å; D274-P276 VanDerWaalsContact O-CD 3.22Å; D274-P276 WeakPolarHBondContact O-CD 3.22Å; P276-W278 HydrophobicContact CB-CH2 3.73Å; P276-W278 HydrophobicContact CB-CZ3 3.85Å; P276-W278 HydrophobicContact CG-CH2 4.1Å; P276-W278 HydrophobicContact CG-CZ3 4.17Å; P276-L319 WeakPolarHBondContact CD-O 3.49Å; P276-L319 HydrophobicContact CG-CB 4.12Å; P276-L319 HydrophobicContact CG-CD1 4.44Å; P276-L319 PolarHBondContact O-N 2.92Å
277	S	98.4	Very high	98.2	Very high	11 Å²	11	32.5 Å²	32.5	8%	0.077	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158	179.4	59.8	0	0	0	0	113.8	D240 Q241 K316 L317	D240-S277 PolarHBondContact N-O 2.85Å; D240-S277 PolarHBondContact OD2-OG 2.93Å; Q241-S277 PolarHBondContact NE2-O 3.16Å; Q241-S277 PolarHBondContact OE1-O 3.5Å; S277-K316 WeakPolarHBondContact OG-CE 3.22Å; S277-K316 PolarHBondContact OG-NZ 3.22Å; S277-L317 CarbonylContact C-O 3.54Å; S277-L317 WeakPolarHBondContact CA-O 3.42Å; S277-L317 WeakPolarHBondContact CB-O 3.33Å
278	W	98.7	Very high	98.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.3	178.8	-65.1	-102	0	0	0	111.1	F113 F132 M212 K238 P276 K316 L317 L319	F113-W278 HydrophobicContact CE1-CH2 4.47Å; F113-W278 HydrophobicContact CE1-CZ2 4.35Å; F113-W278 HydrophobicContact CE2-CH2 4.5Å; F113-W278 AromaticContact CZ-CH2 3.68Å; F113-W278 HydrophobicContact CZ-CH2 3.68Å; F113-W278 AromaticContact CZ-CZ2 3.99Å; F113-W278 HydrophobicContact CZ-CZ2 3.99Å; F113-W278 HydrophobicContact CZ-CZ3 4.41Å; F132-W278 HydrophobicContact CE2-CD2 4.14Å; F132-W278 AromaticContact CE2-CE2 3.67Å; F132-W278 HydrophobicContact CE2-CG 4.36Å; F132-W278 HydrophobicContact CE2-CZ2 4.04Å; F132-W278 AromaticContact CE2-NE1 3.59Å; F132-W278 AromaticContact CZ-CD2 3.79Å; F132-W278 HydrophobicContact CZ-CD2 3.79Å; F132-W278 AromaticContact CZ-CE2 3.7Å; F132-W278 HydrophobicContact CZ-CE3 4.14Å; F132-W278 HydrophobicContact CZ-CG 4.22Å; F132-W278 HydrophobicContact CZ-CH2 4.35Å; F132-W278 AromaticContact CZ-CZ2 3.98Å; F132-W278 HydrophobicContact CZ-CZ2 3.98Å; F132-W278 HydrophobicContact CZ-CZ3 4.42Å; M212-W278 PolarHBondContact O-NE1 2.89Å; K238-W278 CarbonylContact O-C 3.49Å; K238-W278 VanDerWaalsContact O-CA 3.22Å; K238-W278 WeakPolarHBondContact O-CA 2.91Å; P276-W278 HydrophobicContact CB-CH2 3.73Å; P276-W278 HydrophobicContact CB-CZ3 3.85Å; P276-W278 HydrophobicContact CG-CH2 4.1Å; P276-W278 HydrophobicContact CG-CZ3 4.17Å; W278-K316 CarbonylContact O-C 3.54Å; W278-K316 WeakPolarHBondContact O-CA 3.32Å; W278-L317 HydrophobicContact CB-CB 4.4Å; W278-L317 PolarHBondContact N-O 2.9Å; W278-L317 PolarHBondContact O-N 3.1Å; W278-L319 HydrophobicContact CH2-CD1 3.98Å; W278-L319 HydrophobicContact CZ3-CD1 3.65Å; W278-L319 HydrophobicContact CZ3-CG 3.98Å
279	T	98.4	Very high	98.1	Very high	24 Å²	24	38.3 Å²	38.3	15%	0.147	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.4	169.5	-51.8	0	0	0	0	110	Y236 K237 K238 D240 Y281	Y236-T279 CarbonylContact C-O 3.51Å; Y236-T279 WeakPolarHBondContact CA-O 3.42Å; K237-T279 PolarHBondContact N-O 3.48Å; K238-T279 PolarHBondContact O-N 2.81Å; D240-T279 PolarHBondContact OD1-OG1 3.24Å; T279-Y281 HydrophobicContact CG2-CD2 4.26Å; T279-Y281 HydrophobicContact CG2-CE1 4.17Å; T279-Y281 HydrophobicContact CG2-CE2 3.48Å; T279-Y281 VanDerWaalsContact CG2-CE2 3.48Å; T279-Y281 WeakPolarHBondContact CG2-OH 3.29Å; T279-Y281 VanDerWaalsContact O-CD2 3.24Å; T279-Y281 WeakPolarHBondContact O-CD2 3.35Å; T279-Y281 VanDerWaalsContact O-CE2 3.3Å; T279-Y281 WeakPolarHBondContact O-CE2 3.2Å
280	F	98.6	Very high	98.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.2	-177.8	-162.2	-87.4	0	0	0	111.1	F85 F100 F136 W143 L145 F234 H235 Y236 I282 V314 G315 L317	F85-F280 HydrophobicContact CE2-CB 4.02Å; F85-F280 HydrophobicContact CE2-CD1 4.46Å; F85-F280 HydrophobicContact CE2-CG 4.17Å; F100-F280 HydrophobicContact CZ-CE1 4.5Å; F136-F280 HydrophobicContact CZ-CE2 4.49Å; W143-F280 HydrophobicContact CH2-CE1 4.5Å; W143-F280 AromaticContact CH2-CZ 3.92Å; W143-F280 HydrophobicContact CH2-CZ 3.92Å; L145-F280 HydrophobicContact CD2-CE2 3.7Å; L145-F280 HydrophobicContact CD2-CZ 3.78Å; F234-F280 HydrophobicContact CB-CZ 3.98Å; F234-F280 AromaticContact CD1-CE1 3.56Å; F234-F280 HydrophobicContact CD1-CE1 3.56Å; F234-F280 AromaticContact CD1-CZ 3.44Å; F234-F280 HydrophobicContact CD1-CZ 3.44Å; F234-F280 VanDerWaalsContact CD1-CZ 3.44Å; F234-F280 HydrophobicContact CE1-CE1 4.16Å; F234-F280 HydrophobicContact CE1-CZ 4.2Å; F234-F280 HydrophobicContact CG-CE1 4.48Å; F234-F280 AromaticContact CG-CZ 3.99Å; F234-F280 HydrophobicContact CG-CZ 3.99Å; H235-F280 CarbonylContact O-C 3.59Å; Y236-F280 AromaticContact CD1-CD2 3.88Å; Y236-F280 HydrophobicContact CD1-CD2 3.88Å; Y236-F280 AromaticContact CD1-CE2 3.7Å; Y236-F280 HydrophobicContact CD1-CE2 3.7Å; Y236-F280 HydrophobicContact CE1-CE2 4.37Å; Y236-F280 HydrophobicContact CG-CD2 4.29Å; F280-I282 HydrophobicContact CE1-CG2 4.42Å; F280-V314 HydrophobicContact CD1-CB 3.89Å; F280-V314 HydrophobicContact CD1-CG1 4.24Å; F280-V314 HydrophobicContact CD1-CG2 4.12Å; F280-V314 PolarHBondContact O-N 3.3Å; F280-G315 PolarHBondContact N-O 3.33Å; F280-G315 PolarHBondContact O-N 2.91Å; F280-L317 HydrophobicContact CD2-CD1 4.03Å; F280-L317 HydrophobicContact CD2-CG 4.41Å
281	Y	98.8	Very high	97.9	Very high	46 Å²	46	45.8 Å²	45.8	18%	0.18	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	160.9	-175.9	-57.9	-94.3	0	0	0	110.6	H235 K238 T279 L311 I312 P313	H235-Y281 PolarHBondContact N-O 3.29Å; H235-Y281 WeakPolarHBondContact O-CA 3.2Å; H235-Y281 PolarHBondContact O-N 2.64Å; K238-Y281 HydrophobicContact CB-CE2 4.22Å; T279-Y281 HydrophobicContact CG2-CD2 4.26Å; T279-Y281 HydrophobicContact CG2-CE1 4.17Å; T279-Y281 HydrophobicContact CG2-CE2 3.48Å; T279-Y281 VanDerWaalsContact CG2-CE2 3.48Å; T279-Y281 WeakPolarHBondContact CG2-OH 3.29Å; T279-Y281 VanDerWaalsContact O-CD2 3.24Å; T279-Y281 WeakPolarHBondContact O-CD2 3.35Å; T279-Y281 VanDerWaalsContact O-CE2 3.3Å; T279-Y281 WeakPolarHBondContact O-CE2 3.2Å; Y281-L311 HydrophobicContact CD1-CB 3.85Å; Y281-L311 HydrophobicContact CG-CB 4.16Å; Y281-I312 CarbonylContact C-O 3.58Å; Y281-I312 WeakPolarHBondContact CA-O 3.36Å; Y281-I312 WeakPolarHBondContact CB-O 3.49Å; Y281-P313 VanDerWaalsContact CD1-CA 3.47Å; Y281-P313 HydrophobicContact CD1-CB 3.96Å; Y281-P313 HydrophobicContact CE1-CB 3.86Å
282	I	98.7	Very high	97.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.9	165	58.3	177.8	0	0	0	110.9	I91 Y94 L222 K233 F234 F280 V284 I312 V314	I91-I282 HydrophobicContact CB-CD1 4.44Å; I91-I282 HydrophobicContact CD1-CD1 4.07Å; I91-I282 HydrophobicContact CG2-CD1 4.21Å; Y94-I282 HydrophobicContact CD2-CD1 4.16Å; L222-I282 HydrophobicContact CD1-CD1 4.06Å; K233-I282 CarbonylContact O-C 3.54Å; K233-I282 VanDerWaalsContact O-CA 3.22Å; K233-I282 WeakPolarHBondContact O-CA 3.44Å; F234-I282 HydrophobicContact CD1-CG2 3.54Å; F234-I282 HydrophobicContact CE1-CG2 3.78Å; F280-I282 HydrophobicContact CE1-CG2 4.42Å; I282-V284 HydrophobicContact CD1-CG2 3.71Å; I282-V284 HydrophobicContact CG1-CG2 4.08Å; I282-I312 HydrophobicContact CG1-CB 3.99Å; I282-I312 HydrophobicContact CG1-CG2 4.5Å; I282-I312 PolarHBondContact N-O 3Å; I282-I312 PolarHBondContact O-N 3.02Å; I282-V314 HydrophobicContact CB-CG2 4.45Å; I282-V314 HydrophobicContact CD1-CG2 4.39Å; I282-V314 HydrophobicContact CG1-CG2 3.97Å; I282-V314 HydrophobicContact CG2-CG2 4.04Å
283	Q	98.7	Very high	97.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.6	152.5	-63.9	176.1	-75.7	0	0	107.7	C232 K233 H235 W304 F309 L311	C232-Q283 WeakPolarHBondContact CA-O 3.24Å; C232-Q283 VanDerWaalsContact CB-O 3.23Å; C232-Q283 WeakPolarHBondContact CB-O 3.45Å; K233-Q283 HydrophobicContact CB-CB 4.27Å; K233-Q283 PolarHBondContact N-O 3.2Å; K233-Q283 VanDerWaalsContact N-O 3.11Å; K233-Q283 PolarHBondContact O-N 3.14Å; H235-Q283 PolarHBondContact CE1-OE1 3.19Å; H235-Q283 PolarHBondContact NE2-OE1 3.41Å; Q283-W304 HydrophobicContact CB-CE3 3.79Å; Q283-W304 HydrophobicContact CB-CZ3 4.18Å; Q283-W304 PolarHBondContact NE2-O 2.89Å; Q283-F309 HydrophobicContact CB-CB 4.22Å; Q283-F309 HydrophobicContact CG-CB 4.42Å; Q283-F309 WeakPolarHBondContact CG-O 3.33Å; Q283-F309 PolarHBondContact NE2-O 2.95Å; Q283-L311 HydrophobicContact CG-CD2 3.79Å
284	V	98.8	Very high	97.8	Very high	22 Å²	22	54 Å²	54	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.9	178.8	175.2	0	0	0	0	109.3	Y94 V230 Y231 I282 F309 I312	Y94-V284 HydrophobicContact CD1-CG1 4.11Å; Y94-V284 HydrophobicContact CD1-CG2 4.42Å; Y94-V284 HydrophobicContact CD2-CG2 4.22Å; Y94-V284 HydrophobicContact CE1-CG1 3.98Å; Y94-V284 HydrophobicContact CE1-CG2 4.42Å; Y94-V284 HydrophobicContact CE2-CG2 4.22Å; Y94-V284 HydrophobicContact CG-CG2 4.33Å; V230-V284 HydrophobicContact CB-CG1 3.86Å; V230-V284 HydrophobicContact CG1-CG1 4.18Å; V230-V284 HydrophobicContact CG2-CG1 3.83Å; Y231-V284 WeakPolarHBondContact O-CA 3.44Å; I282-V284 HydrophobicContact CD1-CG2 3.71Å; I282-V284 HydrophobicContact CG1-CG2 4.08Å; V284-F309 WeakPolarHBondContact O-CD1 3.4Å; V284-I312 HydrophobicContact CB-CD1 4.21Å; V284-I312 HydrophobicContact CG2-CD1 3.85Å
285	M	98.7	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.7	175.7	179.4	-174.3	-77.1	0	0	108.5	Y231 Q289 A290 F293 P297 W304 F309	Y231-M285 PolarHBondContact N-O 2.85Å; Y231-M285 PolarHBondContact O-N 3.43Å; M285-Q289 HydrophobicContact CG-CB 3.73Å; M285-A290 HydrophobicContact CG-CB 4.38Å; M285-A290 HydrophobicContact SD-CB 3.87Å; M285-F293 HydrophobicContact CE-CB 4.38Å; M285-F293 HydrophobicContact CE-CD1 4.1Å; M285-F293 HydrophobicContact CE-CD2 3.97Å; M285-F293 HydrophobicContact CE-CE1 4.42Å; M285-F293 HydrophobicContact CE-CE2 4.3Å; M285-F293 HydrophobicContact CE-CG 3.89Å; M285-P297 HydrophobicContact CE-CB 4.17Å; M285-P297 HydrophobicContact SD-CB 3.63Å; M285-P297 HydrophobicContact SD-CG 4.43Å; M285-W304 HydrophobicContact CB-CE3 4.12Å; M285-W304 HydrophobicContact CB-CH2 3.52Å; M285-W304 HydrophobicContact CB-CZ2 4.08Å; M285-W304 HydrophobicContact CB-CZ3 3.54Å; M285-W304 HydrophobicContact CE-CD2 3.65Å; M285-W304 VanDerWaalsContact CE-CE2 3.45Å; M285-W304 HydrophobicContact CE-CE3 4.21Å; M285-W304 HydrophobicContact CE-CG 3.92Å; M285-W304 HydrophobicContact CE-CH2 4.43Å; M285-W304 HydrophobicContact CE-CZ2 3.88Å; M285-W304 HydrophobicContact CG-CH2 4.46Å; M285-W304 HydrophobicContact SD-CH2 4.21Å; M285-W304 HydrophobicContact SD-CZ2 3.77Å; M285-F309 HydrophobicContact CB-CD1 4.18Å; M285-F309 HydrophobicContact CB-CE1 3.84Å; M285-F309 HydrophobicContact CB-CZ 4.49Å; M285-F309 HydrophobicContact CE-CD2 4.22Å; M285-F309 HydrophobicContact CE-CE1 3.89Å; M285-F309 HydrophobicContact CE-CE2 3.55Å; M285-F309 HydrophobicContact CE-CZ 3.35Å; M285-F309 HydrophobicContact CG-CE1 3.78Å; M285-F309 HydrophobicContact CG-CZ 4.05Å; M285-F309 HydrophobicContact SD-CZ 4.47Å
286	T	98.3	Very high	97.7	Very high	56 Å²	56	49.9 Å²	49.9	34%	0.344	24%	0.236	S	C	.	.			trans	-73	163.8	174.8	69.8	0	0	0	0	110.9	D288 Q289 A290	T286-D288 VanDerWaalsContact C-N 3.3Å; T286-D288 PolarHBondContact O-N 2.97Å; T286-Q289 PolarHBondContact O-N 3.43Å; T286-Q289 VanDerWaalsContact OG1-CG 3.29Å; T286-Q289 WeakPolarHBondContact OG1-CG 3.41Å; T286-Q289 PolarHBondContact OG1-N 3.47Å; T286-Q289 PolarHBondContact OG1-OE1 2.95Å; T286-A290 PolarHBondContact O-N 3.42Å
287	F	96.6	Very high	97.7	Very high	66 Å²	66	50.3 Å²	50.3	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-40.6	176.4	-81.4	-130.2	0	0	0	111	K221 C229 Y231 Q289 A290 E291	K221-F287 HydrophobicContact CD-CE2 4.46Å; K221-F287 HydrophobicContact CD-CZ 3.91Å; C229-F287 HydrophobicContact CB-CD2 4.43Å; C229-F287 HydrophobicContact CB-CE2 3.53Å; C229-F287 HydrophobicContact CB-CZ 3.66Å; Y231-F287 HydrophobicContact CD2-CD2 4.06Å; Y231-F287 HydrophobicContact CD2-CE2 4.09Å; Y231-F287 HydrophobicContact CE1-CE2 4.32Å; Y231-F287 HydrophobicContact CE1-CZ 4.25Å; Y231-F287 HydrophobicContact CE2-CD1 4.32Å; Y231-F287 AromaticContact CE2-CD2 3.84Å; Y231-F287 HydrophobicContact CE2-CD2 3.84Å; Y231-F287 HydrophobicContact CE2-CE1 4.29Å; Y231-F287 AromaticContact CE2-CE2 3.8Å; Y231-F287 HydrophobicContact CE2-CE2 3.8Å; Y231-F287 HydrophobicContact CE2-CG 4.1Å; Y231-F287 HydrophobicContact CE2-CZ 4.04Å; Y231-F287 HydrophobicContact CG-CE2 4.47Å; Y231-F287 AromaticContact CZ-CE2 3.93Å; Y231-F287 AromaticContact CZ-CZ 3.77Å; F287-Q289 VanDerWaalsContact C-N 3.31Å; F287-Q289 PolarHBondContact O-N 3.34Å; F287-A290 WeakPolarHBondContact O-CB 3.31Å; F287-A290 PolarHBondContact O-N 3.04Å; F287-A290 VanDerWaalsContact O-N 3.13Å; F287-E291 PolarHBondContact O-N 3.1Å
288	D	96.8	Very high	97.7	Very high	117 Å²	117	51.3 Å²	51.3	63%	0.626	24%	0.241	S	C	*	.	H	α-helix	trans	-63.5	-34.9	175.6	-61	-29	0	0	0	113.2	T286 R292	T286-D288 VanDerWaalsContact C-N 3.3Å; T286-D288 PolarHBondContact O-N 2.97Å; D288-R292 WeakPolarHBondContact O-CG 3.16Å
289	Q	97.9	Very high	97.6	Very high	81 Å²	81	51.4 Å²	51.4	38%	0.379	24%	0.242	S	C	.	.	H	α-helix	trans	-70.1	-36.5	174.7	-74.5	172.5	-36.5	0	0	111.4	M285 T286 F287 R292 F293 F309	M285-Q289 HydrophobicContact CG-CB 3.73Å; T286-Q289 PolarHBondContact O-N 3.43Å; T286-Q289 VanDerWaalsContact OG1-CG 3.29Å; T286-Q289 WeakPolarHBondContact OG1-CG 3.41Å; T286-Q289 PolarHBondContact OG1-N 3.47Å; T286-Q289 PolarHBondContact OG1-OE1 2.95Å; F287-Q289 VanDerWaalsContact C-N 3.31Å; F287-Q289 PolarHBondContact O-N 3.34Å; Q289-R292 CarbonylContact O-C 3.58Å; Q289-R292 PolarHBondContact O-N 3.29Å; Q289-F293 PolarHBondContact O-N 2.82Å; Q289-F309 HydrophobicContact CB-CE1 4.38Å; Q289-F309 HydrophobicContact CB-CZ 4.48Å
290	A	97.3	Very high	97.6	Very high	7 Å²	7	50.5 Å²	50.5	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-42.6	177.9	0	0	0	0	0	111.9	Y231 M285 T286 F287 R292 F293 P297	Y231-A290 HydrophobicContact CD2-CB 3.92Å; Y231-A290 HydrophobicContact CE2-CB 3.99Å; M285-A290 HydrophobicContact CG-CB 4.38Å; M285-A290 HydrophobicContact SD-CB 3.87Å; T286-A290 PolarHBondContact O-N 3.42Å; F287-A290 WeakPolarHBondContact O-CB 3.31Å; F287-A290 PolarHBondContact O-N 3.04Å; F287-A290 VanDerWaalsContact O-N 3.13Å; A290-R292 PolarHBondContact O-N 3.38Å; A290-F293 PolarHBondContact O-N 2.97Å; A290-P297 HydrophobicContact CB-CB 4.5Å; A290-P297 HydrophobicContact CB-CG 3.88Å
291	E	95.6	Very high	97.6	Very high	164 Å²	164	50.6 Å²	50.6	77%	0.766	24%	0.237	S	C	*	.	H	α-helix	trans	-65.2	-22.8	177.1	-65.6	-57.1	135.5	0	0	113.8	F287	F287-E291 PolarHBondContact O-N 3.1Å
292	R	96.6	Very high	97.6	Very high	215 Å²	215	48.8 Å²	48.8	81%	0.811	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	0.8	-177.6	-61.1	177.3	-173.2	-178.4	3.4	112.8	D288 Q289 A290	D288-R292 WeakPolarHBondContact O-CG 3.16Å; Q289-R292 CarbonylContact O-C 3.58Å; Q289-R292 PolarHBondContact O-N 3.29Å; A290-R292 PolarHBondContact O-N 3.38Å
293	F	97.1	Very high	97.6	Very high	23 Å²	23	50.9 Å²	50.9	10%	0.101	24%	0.243	C	C	.	.			trans	-70	138	-176.7	-168.1	-126.1	0	0	0	109.7	M285 Q289 A290 F295 P297 W304 F309	M285-F293 HydrophobicContact CE-CB 4.38Å; M285-F293 HydrophobicContact CE-CD1 4.1Å; M285-F293 HydrophobicContact CE-CD2 3.97Å; M285-F293 HydrophobicContact CE-CE1 4.42Å; M285-F293 HydrophobicContact CE-CE2 4.3Å; M285-F293 HydrophobicContact CE-CG 3.89Å; Q289-F293 PolarHBondContact O-N 2.82Å; A290-F293 PolarHBondContact O-N 2.97Å; F293-F295 HydrophobicContact CD1-CB 4.34Å; F293-F295 WeakPolarHBondContact CD1-O 3.39Å; F293-F295 HydrophobicContact CE1-CB 4.15Å; F293-F295 HydrophobicContact CE1-CD2 4.25Å; F293-F295 HydrophobicContact CZ-CD2 4.38Å; F293-F295 PolarHBondContact O-N 2.83Å; F293-F295 VanDerWaalsContact O-N 3.1Å; F293-P297 HydrophobicContact CD1-CB 3.95Å; F293-W304 AromaticContact CE1-CD1 3.9Å; F293-F309 HydrophobicContact CD2-CE2 4.02Å; F293-F309 HydrophobicContact CD2-CZ 4.41Å; F293-F309 AromaticContact CE2-CE2 3.8Å; F293-F309 HydrophobicContact CE2-CE2 3.8Å
294	Q	95.4	Very high	97.6	Very high	124 Å²	124	50.9 Å²	50.9	58%	0.579	24%	0.243	S	C	*	.	S	Bend	trans	-61.7	-20.6	-174.6	60.6	176.4	-33.8	0	0	114.3
295	F	96.8	Very high	97.5	Very high	27 Å²	27	52 Å²	52	12%	0.118	25%	0.251	C	S	.	.	S	Bend	trans	-123.5	169.9	173.7	-54.5	-67.2	0	0	0	109.1	F293 P297 K302 D439 T442 Q443	F293-F295 HydrophobicContact CD1-CB 4.34Å; F293-F295 WeakPolarHBondContact CD1-O 3.39Å; F293-F295 HydrophobicContact CE1-CB 4.15Å; F293-F295 HydrophobicContact CE1-CD2 4.25Å; F293-F295 HydrophobicContact CZ-CD2 4.38Å; F293-F295 PolarHBondContact O-N 2.83Å; F293-F295 VanDerWaalsContact O-N 3.1Å; F295-P297 VanDerWaalsContact O-CD 3.26Å; F295-P297 WeakPolarHBondContact O-CD 3.37Å; F295-P297 VanDerWaalsContact O-N 3.14Å; F295-K302 HydrophobicContact CB-CD 4.24Å; F295-K302 HydrophobicContact CB-CG 3.98Å; F295-K302 HydrophobicContact CD1-CD 4.17Å; F295-K302 HydrophobicContact CD2-CD 4.19Å; F295-K302 HydrophobicContact CG-CD 3.93Å; F295-K302 HydrophobicContact CG-CG 4.22Å; F295-D439 HydrophobicContact CD1-CB 4.18Å; F295-D439 HydrophobicContact CE1-CB 3.94Å; F295-T442 HydrophobicContact CE1-CG2 4.45Å; F295-T442 HydrophobicContact CZ-CG2 3.82Å; F295-Q443 HydrophobicContact CD2-CG 4.43Å; F295-Q443 HydrophobicContact CE2-CG 3.75Å; F295-Q443 HydrophobicContact CZ-CG 4.03Å
296	N	97.4	Very high	97.4	Very high	60 Å²	60	56 Å²	56	32%	0.321	27%	0.27	S	S	.	.			trans	-60.1	115.5	165.4	-179.3	-10.3	0	0	0	109.7	F298 D299 E438	N296-F298 PolarHBondContact O-N 3.49Å; N296-F298 VanDerWaalsContact O-N 3.13Å; N296-F298 WeakPolarHBondContact OD1-CB 3.33Å; N296-F298 WeakPolarHBondContact OD1-CD2 3.43Å; N296-F298 PolarHBondContact OD1-N 3.41Å; N296-D299 HydrophobicContact CB-CB 3.95Å; N296-D299 WeakPolarHBondContact O-CB 3.44Å; N296-D299 PolarHBondContact O-N 3.11Å; N296-D299 VanDerWaalsContact O-N 3.13Å; N296-E438 PolarHBondContact ND2-OE1 3.45Å
297	P	97.7	Very high	97.3	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.058	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.7	-177.2	29.4	-34.7	0	0	0	113.1	T219 M285 A290 F293 F295 W304	T219-P297 PolarHBondContact OG1-O 3.19Å; M285-P297 HydrophobicContact CE-CB 4.17Å; M285-P297 HydrophobicContact SD-CB 3.63Å; M285-P297 HydrophobicContact SD-CG 4.43Å; A290-P297 HydrophobicContact CB-CB 4.5Å; A290-P297 HydrophobicContact CB-CG 3.88Å; F293-P297 HydrophobicContact CD1-CB 3.95Å; F295-P297 VanDerWaalsContact O-CD 3.26Å; F295-P297 WeakPolarHBondContact O-CD 3.37Å; F295-P297 VanDerWaalsContact O-N 3.14Å; P297-W304 HydrophobicContact CB-CZ2 4.48Å; P297-W304 PolarHBondContact O-NE1 3.39Å
298	F	98.2	Very high	97.3	Very high	31 Å²	31	64.5 Å²	64.5	14%	0.136	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	1.6	177.6	-42.5	-60.6	0	0	0	113	T219 Y231 N296 L300 P348 D349	T219-F298 HydrophobicContact CG2-CD1 3.87Å; T219-F298 HydrophobicContact CG2-CE1 4.05Å; Y231-F298 AromaticContact CD1-CE1 3.79Å; Y231-F298 HydrophobicContact CD1-CE1 3.79Å; Y231-F298 AromaticContact CD2-CE1 3.9Å; Y231-F298 HydrophobicContact CD2-CE1 3.9Å; Y231-F298 HydrophobicContact CD2-CZ 4.08Å; Y231-F298 AromaticContact CE1-CE1 3.52Å; Y231-F298 HydrophobicContact CE1-CE1 3.52Å; Y231-F298 AromaticContact CE1-CZ 3.97Å; Y231-F298 HydrophobicContact CE1-CZ 3.97Å; Y231-F298 AromaticContact CE2-CE1 3.64Å; Y231-F298 HydrophobicContact CE2-CE1 3.64Å; Y231-F298 AromaticContact CE2-CZ 3.44Å; Y231-F298 HydrophobicContact CE2-CZ 3.44Å; Y231-F298 VanDerWaalsContact CE2-CZ 3.44Å; Y231-F298 AromaticContact CG-CE1 3.98Å; Y231-F298 HydrophobicContact CG-CE1 3.98Å; Y231-F298 AromaticContact CZ-CE1 3.43Å; Y231-F298 VanDerWaalsContact CZ-CE1 3.43Å; Y231-F298 AromaticContact CZ-CZ 3.37Å; Y231-F298 WeakPolarHBondContact OH-CZ 3.49Å; N296-F298 PolarHBondContact O-N 3.49Å; N296-F298 VanDerWaalsContact O-N 3.13Å; N296-F298 WeakPolarHBondContact OD1-CB 3.33Å; N296-F298 WeakPolarHBondContact OD1-CD2 3.43Å; N296-F298 PolarHBondContact OD1-N 3.41Å; F298-L300 PolarHBondContact O-N 3.31Å; F298-P348 HydrophobicContact CD2-CB 4.2Å; F298-P348 HydrophobicContact CD2-CG 4.36Å; F298-P348 HydrophobicContact CE2-CG 4.24Å; F298-P348 HydrophobicContact CG-CB 4.37Å; F298-P348 HydrophobicContact CZ-CG 4.38Å; F298-D349 HydrophobicContact CB-CB 4.13Å; F298-D349 WeakPolarHBondContact O-CA 3.46Å; F298-D349 VanDerWaalsContact O-CB 3.31Å; F298-D349 WeakPolarHBondContact O-CB 3.29Å
299	D	98.4	Very high	97.3	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	28%	0.276	C	S	.	.			trans	-75.3	115.7	172.3	175.6	1.7	0	0	0	110.1	R156 N296 T301 K302	R156-D299 WeakPolarHBondContact CB-OD1 3.38Å; R156-D299 IonicContact CZ-OD2 3.36Å; R156-D299 VanDerWaalsContact NE-CG 3.28Å; R156-D299 IonicContact NE-OD1 2.9Å; R156-D299 PolarHBondContact NE-OD1 2.9Å; R156-D299 VanDerWaalsContact NE-OD1 3.12Å; R156-D299 IonicContact NE-OD2 3.84Å; R156-D299 PolarHBondContact NE-OD2 2.92Å; R156-D299 IonicContact NH2-OD2 3.17Å; R156-D299 PolarHBondContact NH2-OD2 3.38Å; N296-D299 HydrophobicContact CB-CB 3.95Å; N296-D299 WeakPolarHBondContact O-CB 3.44Å; N296-D299 PolarHBondContact O-N 3.11Å; N296-D299 VanDerWaalsContact O-N 3.13Å; D299-T301 PolarHBondContact O-N 3.23Å; D299-T301 VanDerWaalsContact O-N 3.14Å; D299-T301 WeakPolarHBondContact OD1-CB 3.46Å; D299-T301 PolarHBondContact OD1-N 2.97Å; D299-T301 PolarHBondContact OD1-OG1 2.85Å; D299-T301 PolarHBondContact OD2-OG1 3.11Å; D299-K302 HydrophobicContact CB-CG 3.96Å; D299-K302 PolarHBondContact O-N 2.87Å; D299-K302 WeakPolarHBondContact OD2-CG 3.16Å; D299-K302 IonicContact OD2-NZ 2.78Å; D299-K302 PolarHBondContact OD2-NZ 3.25Å
300	L	98.5	Very high	97.3	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.2	-178.8	-169.8	58.4	0	0	0	114	I152 F153 H218 F298 K302 M351	I152-L300 CarbonylContact C-O 3.37Å; I152-L300 WeakPolarHBondContact CA-O 3.26Å; I152-L300 VanDerWaalsContact CB-O 3.32Å; I152-L300 WeakPolarHBondContact CB-O 3.37Å; F153-L300 HydrophobicContact CB-CD2 3.39Å; F153-L300 HydrophobicContact CB-CG 3.61Å; F153-L300 HydrophobicContact CD1-CD2 4.49Å; F153-L300 HydrophobicContact CG-CD2 4.15Å; F153-L300 PolarHBondContact N-O 3.36Å; F153-L300 VanDerWaalsContact N-O 3.08Å; H218-L300 WeakPolarHBondContact CE1-CD2 3.33Å; H218-L300 WeakPolarHBondContact ND1-CD1 3.33Å; F298-L300 PolarHBondContact O-N 3.31Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-M351 HydrophobicContact CB-CG 4.36Å; L300-M351 HydrophobicContact CD2-CB 3.62Å; L300-M351 HydrophobicContact CD2-CE 4.35Å; L300-M351 HydrophobicContact CD2-CG 3.8Å
301	T	98.5	Very high	97.4	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.018	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.7	173.6	71	0	0	0	0	112.6	R156 E191 H194 D299	R156-T301 HydrophobicContact CB-CG2 4.17Å; R156-T301 PolarHBondContact NH2-OG1 3.27Å; E191-T301 HydrophobicContact CB-CG2 4.31Å; E191-T301 WeakPolarHBondContact O-CG2 3.36Å; H194-T301 PolarHBondContact ND1-O 3.19Å; D299-T301 PolarHBondContact O-N 3.23Å; D299-T301 VanDerWaalsContact O-N 3.14Å; D299-T301 WeakPolarHBondContact OD1-CB 3.46Å; D299-T301 PolarHBondContact OD1-N 2.97Å; D299-T301 PolarHBondContact OD1-OG1 2.85Å; D299-T301 PolarHBondContact OD2-OG1 3.11Å
302	K	98.6	Very high	97.5	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.035	26%	0.264	C	S	.	.			trans	-111.7	139.5	-178.1	-56	-63	-177.5	-59.5	0	112.6	F295 D299 L300 D439 Q443	F295-K302 HydrophobicContact CB-CD 4.24Å; F295-K302 HydrophobicContact CB-CG 3.98Å; F295-K302 HydrophobicContact CD1-CD 4.17Å; F295-K302 HydrophobicContact CD2-CD 4.19Å; F295-K302 HydrophobicContact CG-CD 3.93Å; F295-K302 HydrophobicContact CG-CG 4.22Å; D299-K302 HydrophobicContact CB-CG 3.96Å; D299-K302 PolarHBondContact O-N 2.87Å; D299-K302 WeakPolarHBondContact OD2-CG 3.16Å; D299-K302 IonicContact OD2-NZ 2.78Å; D299-K302 PolarHBondContact OD2-NZ 3.25Å; L300-K302 VanDerWaalsContact C-N 3.26Å; K302-D439 WeakPolarHBondContact CE-O 3.22Å; K302-D439 PolarHBondContact NZ-O 3.02Å; K302-Q443 VanDerWaalsContact CA-OE1 3.23Å; K302-Q443 HydrophobicContact CD-CG 4.21Å
303	V	98.4	Very high	97.6	Very high	44 Å²	44	46.9 Å²	46.9	27%	0.267	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-96.2	154.5	167.2	-60.3	0	0	0	0	111	P151 I152 Q443	P151-V303 HydrophobicContact CB-CG1 4.09Å; P151-V303 HydrophobicContact CG-CG1 3.87Å; I152-V303 HydrophobicContact CG2-CG1 3.49Å; I152-V303 VanDerWaalsContact CG2-CG1 3.49Å; V303-Q443 PolarHBondContact O-NE2 3.15Å
304	W	98.3	Very high	97.7	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-89.7	122.8	164.3	-61	-7.7	0	0	0	108.7	T219 K233 Q283 M285 F293 P297 H306 F309	T219-W304 HydrophobicContact CG2-CH2 3.82Å; T219-W304 HydrophobicContact CG2-CZ2 3.54Å; T219-W304 WeakPolarHBondContact OG1-CZ2 3.37Å; K233-W304 HydrophobicContact CB-CE3 4.44Å; K233-W304 HydrophobicContact CG-CD2 3.76Å; K233-W304 HydrophobicContact CG-CE3 3.66Å; K233-W304 HydrophobicContact CG-CG 4.37Å; K233-W304 HydrophobicContact CG-CH2 4.18Å; K233-W304 HydrophobicContact CG-CZ2 4.29Å; K233-W304 HydrophobicContact CG-CZ3 3.88Å; Q283-W304 HydrophobicContact CB-CE3 3.79Å; Q283-W304 HydrophobicContact CB-CZ3 4.18Å; Q283-W304 PolarHBondContact NE2-O 2.89Å; M285-W304 HydrophobicContact CB-CE3 4.12Å; M285-W304 HydrophobicContact CB-CH2 3.52Å; M285-W304 HydrophobicContact CB-CZ2 4.08Å; M285-W304 HydrophobicContact CB-CZ3 3.54Å; M285-W304 HydrophobicContact CE-CD2 3.65Å; M285-W304 VanDerWaalsContact CE-CE2 3.45Å; M285-W304 HydrophobicContact CE-CE3 4.21Å; M285-W304 HydrophobicContact CE-CG 3.92Å; M285-W304 HydrophobicContact CE-CH2 4.43Å; M285-W304 HydrophobicContact CE-CZ2 3.88Å; M285-W304 HydrophobicContact CG-CH2 4.46Å; M285-W304 HydrophobicContact SD-CH2 4.21Å; M285-W304 HydrophobicContact SD-CZ2 3.77Å; F293-W304 AromaticContact CE1-CD1 3.9Å; P297-W304 HydrophobicContact CB-CZ2 4.48Å; P297-W304 PolarHBondContact O-NE1 3.39Å; W304-H306 PolarHBondContact O-N 2.82Å; W304-F309 HydrophobicContact CB-CB 4.32Å; W304-F309 HydrophobicContact CB-CD2 3.87Å; W304-F309 HydrophobicContact CB-CG 4.33Å; W304-F309 HydrophobicContact CE3-CG 4.47Å; W304-F309 HydrophobicContact CG-CD2 4.43Å
305	S	96.8	Very high	97.8	Very high	45 Å²	45	39.9 Å²	39.9	32%	0.315	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-55.9	128.2	-179.7	176.7	0	0	0	0	110.6	K307 E308 F309	S305-K307 PolarHBondContact O-N 3.34Å; S305-K307 VanDerWaalsContact O-N 3.15Å; S305-K307 PolarHBondContact OG-N 3.39Å; S305-E308 PolarHBondContact O-N 3.11Å; S305-E308 VanDerWaalsContact O-N 3.12Å; S305-F309 PolarHBondContact O-N 3.31Å
306	H	96.6	Very high	97.9	Very high	86 Å²	86	42 Å²	42	40%	0.398	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.2	176.7	-60.9	121.5	0	0	0	112.9	H235 K237 W304 P310	H235-H306 AromaticContact CE1-NE2 3.82Å; K237-H306 PolarHBondContact NZ-CE1 3.41Å; K237-H306 PolarHBondContact NZ-ND1 2.86Å; K237-H306 PolarHBondContact NZ-NE2 3.24Å; K237-H306 VanDerWaalsContact NZ-NE2 3.1Å; W304-H306 PolarHBondContact O-N 2.82Å; H306-P310 WeakPolarHBondContact O-CA 2.95Å
307	K	95.9	Very high	97.9	Very high	200 Å²	200	39.2 Å²	39.2	87%	0.87	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-39.1	174.8	-176.7	179.6	176.8	-176.4	0	111.5	S305	S305-K307 PolarHBondContact O-N 3.34Å; S305-K307 VanDerWaalsContact O-N 3.15Å; S305-K307 PolarHBondContact OG-N 3.39Å
308	E	96.4	Very high	98	Very high	100 Å²	100	39.3 Å²	39.3	47%	0.467	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-39.7	-179.4	-68.5	170.9	-119	0	0	111.5	S305 P310	S305-E308 PolarHBondContact O-N 3.11Å; S305-E308 VanDerWaalsContact O-N 3.12Å; E308-P310 WeakPolarHBondContact O-CD 3.42Å
309	F	98	Very high	98	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.053	19%	0.194	C	C	.	.	S	Bend	trans	-122.2	83.4	-178.6	-57.6	-79.1	0	0	0	108.9	Q283 V284 M285 Q289 F293 W304 S305	Q283-F309 HydrophobicContact CB-CB 4.22Å; Q283-F309 HydrophobicContact CG-CB 4.42Å; Q283-F309 WeakPolarHBondContact CG-O 3.33Å; Q283-F309 PolarHBondContact NE2-O 2.95Å; V284-F309 WeakPolarHBondContact O-CD1 3.4Å; M285-F309 HydrophobicContact CB-CD1 4.18Å; M285-F309 HydrophobicContact CB-CE1 3.84Å; M285-F309 HydrophobicContact CB-CZ 4.49Å; M285-F309 HydrophobicContact CE-CD2 4.22Å; M285-F309 HydrophobicContact CE-CE1 3.89Å; M285-F309 HydrophobicContact CE-CE2 3.55Å; M285-F309 HydrophobicContact CE-CZ 3.35Å; M285-F309 HydrophobicContact CG-CE1 3.78Å; M285-F309 HydrophobicContact CG-CZ 4.05Å; M285-F309 HydrophobicContact SD-CZ 4.47Å; Q289-F309 HydrophobicContact CB-CE1 4.38Å; Q289-F309 HydrophobicContact CB-CZ 4.48Å; F293-F309 HydrophobicContact CD2-CE2 4.02Å; F293-F309 HydrophobicContact CD2-CZ 4.41Å; F293-F309 AromaticContact CE2-CE2 3.8Å; F293-F309 HydrophobicContact CE2-CE2 3.8Å; W304-F309 HydrophobicContact CB-CB 4.32Å; W304-F309 HydrophobicContact CB-CD2 3.87Å; W304-F309 HydrophobicContact CB-CG 4.33Å; W304-F309 HydrophobicContact CE3-CG 4.47Å; W304-F309 HydrophobicContact CG-CD2 4.43Å; S305-F309 PolarHBondContact O-N 3.31Å
310	P	98	Very high	98	Very high	81 Å²	81	40.7 Å²	40.7	53%	0.526	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-63.9	156.1	-178.6	25.8	-33.9	0	0	0	112	H306 E308 I312	H306-P310 WeakPolarHBondContact O-CA 2.95Å; E308-P310 WeakPolarHBondContact O-CD 3.42Å; P310-I312 PolarHBondContact O-N 3.32Å
311	L	98.1	Very high	98	Very high	48 Å²	48	46.7 Å²	46.7	25%	0.251	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-73.8	126.1	176.8	-63.8	174.2	0	0	0	110.3	H235 K237 Y281 Q283	H235-L311 HydrophobicContact CB-CD2 4.07Å; K237-L311 HydrophobicContact CD-CD1 3.46Å; K237-L311 VanDerWaalsContact CD-CD1 3.46Å; Y281-L311 HydrophobicContact CD1-CB 3.85Å; Y281-L311 HydrophobicContact CG-CB 4.16Å; Q283-L311 HydrophobicContact CG-CD2 3.79Å
312	I	98.5	Very high	98.1	Very high	34 Å²	34	47.7 Å²	47.7	17%	0.174	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.6	175.1	-55.5	176.4	0	0	0	107.3	I91 Y94 Y281 I282 V284 P310	I91-I312 HydrophobicContact CG2-CG2 4.4Å; Y94-I312 HydrophobicContact CE2-CD1 4.03Å; Y281-I312 CarbonylContact C-O 3.58Å; Y281-I312 WeakPolarHBondContact CA-O 3.36Å; Y281-I312 WeakPolarHBondContact CB-O 3.49Å; I282-I312 HydrophobicContact CG1-CB 3.99Å; I282-I312 HydrophobicContact CG1-CG2 4.5Å; I282-I312 PolarHBondContact N-O 3Å; I282-I312 PolarHBondContact O-N 3.02Å; V284-I312 HydrophobicContact CB-CD1 4.21Å; V284-I312 HydrophobicContact CG2-CD1 3.85Å; P310-I312 PolarHBondContact O-N 3.32Å
313	P	98.3	Very high	98.1	Very high	39 Å²	39	48.2 Å²	48.2	25%	0.253	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	148.4	178.3	29.6	-35.8	0	0	0	110.9	H89 Y281	H89-P313 HydrophobicContact CB-CG 4.41Å; H89-P313 VanDerWaalsContact CB-O 3.24Å; H89-P313 WeakPolarHBondContact CB-O 3.49Å; H89-P313 VanDerWaalsContact CD2-CG 3.45Å; H89-P313 WeakPolarHBondContact CD2-CG 3.48Å; Y281-P313 VanDerWaalsContact CD1-CA 3.47Å; Y281-P313 HydrophobicContact CD1-CB 3.96Å; Y281-P313 HydrophobicContact CE1-CB 3.86Å
314	V	98.6	Very high	98	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	-49.3	-179.3	-175.6	0	0	0	0	111.1	F85 T88 H89 I91 F100 F280 I282	F85-V314 HydrophobicContact CZ-CG1 4.17Å; T88-V314 PolarHBondContact N-O 2.99Å; T88-V314 PolarHBondContact OG1-O 3.44Å; H89-V314 PolarHBondContact N-O 3.33Å; I91-V314 HydrophobicContact CD1-CB 4.44Å; I91-V314 HydrophobicContact CD1-CG1 3.58Å; I91-V314 HydrophobicContact CD1-CG2 4Å; I91-V314 HydrophobicContact CG1-CG1 4.04Å; I91-V314 HydrophobicContact CG2-CG1 4.49Å; I91-V314 HydrophobicContact CG2-CG2 4.02Å; F100-V314 HydrophobicContact CD1-CG1 3.73Å; F100-V314 HydrophobicContact CE1-CG1 3.82Å; F280-V314 HydrophobicContact CD1-CB 3.89Å; F280-V314 HydrophobicContact CD1-CG1 4.24Å; F280-V314 HydrophobicContact CD1-CG2 4.12Å; F280-V314 PolarHBondContact O-N 3.3Å; I282-V314 HydrophobicContact CB-CG2 4.45Å; I282-V314 HydrophobicContact CD1-CG2 4.39Å; I282-V314 HydrophobicContact CG1-CG2 3.97Å; I282-V314 HydrophobicContact CG2-CG2 4.04Å
315	G	98.1	Very high	98.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-167.7	-167.4	0	0	0	0	0	114.3	E86 T88 F280	E86-G315 CarbonylContact O-C 3.25Å; E86-G315 WeakPolarHBondContact O-CA 3.5Å; T88-G315 WeakPolarHBondContact OG1-CA 3.35Å; T88-G315 PolarHBondContact OG1-N 2.83Å; F280-G315 PolarHBondContact N-O 3.33Å; F280-G315 PolarHBondContact O-N 2.91Å
316	K	98.3	Very high	98.2	Very high	70 Å²	70	58.4 Å²	58.4	30%	0.304	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134	-179.8	-169.3	173.1	-179.5	172.9	0	110.6	F85 E86 D240 S277 W278 V318	F85-K316 CarbonylContact C-O 3.49Å; F85-K316 VanDerWaalsContact CA-O 3.32Å; F85-K316 WeakPolarHBondContact CA-O 3.31Å; F85-K316 WeakPolarHBondContact CD2-O 3.46Å; E86-K316 PolarHBondContact N-O 3.25Å; E86-K316 PolarHBondContact O-N 3.36Å; D240-K316 WeakPolarHBondContact OD2-CE 3.32Å; D240-K316 IonicContact OD2-NZ 2.76Å; S277-K316 WeakPolarHBondContact OG-CE 3.22Å; S277-K316 PolarHBondContact OG-NZ 3.22Å; W278-K316 CarbonylContact O-C 3.54Å; W278-K316 WeakPolarHBondContact O-CA 3.32Å; K316-V318 HydrophobicContact CD-CG2 4.09Å; K316-V318 HydrophobicContact CG-CG2 3.98Å
317	L	98.7	Very high	98.3	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.9	169	-63.2	169.4	0	0	0	108.2	F85 I109 V134 F136 Y236 S277 W278 F280	F85-L317 HydrophobicContact CB-CD2 3.86Å; F85-L317 HydrophobicContact CD2-CD2 3.66Å; F85-L317 HydrophobicContact CD2-CG 4.25Å; F85-L317 HydrophobicContact CG-CD2 4.16Å; I109-L317 HydrophobicContact CD1-CB 4.26Å; I109-L317 HydrophobicContact CD1-CD2 3.64Å; V134-L317 HydrophobicContact CG1-CD2 4.22Å; V134-L317 HydrophobicContact CG2-CD1 4.39Å; F136-L317 HydrophobicContact CE1-CD2 3.77Å; F136-L317 HydrophobicContact CZ-CD2 4.05Å; Y236-L317 HydrophobicContact CD2-CD1 4.26Å; Y236-L317 HydrophobicContact CG-CD1 4.06Å; S277-L317 CarbonylContact C-O 3.54Å; S277-L317 WeakPolarHBondContact CA-O 3.42Å; S277-L317 WeakPolarHBondContact CB-O 3.33Å; W278-L317 HydrophobicContact CB-CB 4.4Å; W278-L317 PolarHBondContact N-O 2.9Å; W278-L317 PolarHBondContact O-N 3.1Å; F280-L317 HydrophobicContact CD2-CD1 4.03Å; F280-L317 HydrophobicContact CD2-CG 4.41Å
318	V	98.8	Very high	98.4	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.5	177.4	-176.3	0	0	0	0	109.2	G83 Y84 F275 K316	G83-V318 VanDerWaalsContact CA-O 3.3Å; G83-V318 WeakPolarHBondContact CA-O 3.1Å; Y84-V318 HydrophobicContact CD1-CB 4.32Å; Y84-V318 HydrophobicContact CE1-CB 3.81Å; Y84-V318 HydrophobicContact CE1-CG1 4Å; Y84-V318 HydrophobicContact CE1-CG2 4.37Å; Y84-V318 HydrophobicContact CE2-CB 4.15Å; Y84-V318 HydrophobicContact CE2-CG2 3.94Å; Y84-V318 PolarHBondContact N-O 2.83Å; Y84-V318 PolarHBondContact O-N 3.25Å; F275-V318 HydrophobicContact CB-CG1 4.15Å; K316-V318 HydrophobicContact CD-CG2 4.09Å; K316-V318 HydrophobicContact CG-CG2 3.98Å
319	L	98.8	Very high	98.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.3	175.2	-56.1	177.3	0	0	0	109.5	A81 F82 I109 V111 F113 I270 F275 P276 W278	A81-L319 HydrophobicContact CB-CB 4.27Å; A81-L319 HydrophobicContact CB-CD1 4.15Å; A81-L319 HydrophobicContact CB-CD2 4.49Å; F82-L319 CarbonylContact O-C 3.54Å; F82-L319 WeakPolarHBondContact O-CA 3.43Å; I109-L319 HydrophobicContact CD1-CD2 4.1Å; V111-L319 HydrophobicContact CB-CD1 4.31Å; V111-L319 HydrophobicContact CB-CD2 3.91Å; V111-L319 HydrophobicContact CG1-CD1 4.34Å; V111-L319 HydrophobicContact CG2-CD2 3.66Å; F113-L319 HydrophobicContact CE2-CD1 3.75Å; F113-L319 HydrophobicContact CZ-CD1 3.95Å; I270-L319 HydrophobicContact CD1-CB 4.14Å; F275-L319 WeakPolarHBondContact CB-O 3.36Å; P276-L319 WeakPolarHBondContact CD-O 3.49Å; P276-L319 HydrophobicContact CG-CB 4.12Å; P276-L319 HydrophobicContact CG-CD1 4.44Å; P276-L319 PolarHBondContact O-N 2.92Å; W278-L319 HydrophobicContact CH2-CD1 3.98Å; W278-L319 HydrophobicContact CZ3-CD1 3.65Å; W278-L319 HydrophobicContact CZ3-CG 3.98Å
320	N	98.7	Very high	98.6	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	7.4	-172.7	68.1	-7.4	0	0	0	113.9	F82 G83 F275	F82-N320 PolarHBondContact O-N 2.88Å; G83-N320 VanDerWaalsContact CA-OD1 3.22Å; G83-N320 WeakPolarHBondContact CA-OD1 3.4Å; F275-N320 HydrophobicContact CB-CB 4.41Å; F275-N320 VanDerWaalsContact CD1-CA 3.47Å; F275-N320 HydrophobicContact CD1-CB 3.74Å; F275-N320 HydrophobicContact CD2-CB 3.9Å; F275-N320 HydrophobicContact CE1-CB 3.86Å; F275-N320 HydrophobicContact CE2-CB 4.03Å; F275-N320 HydrophobicContact CG-CB 3.75Å; F275-N320 HydrophobicContact CZ-CB 4.01Å
321	R	98.7	Very high	98.6	Very high	131 Å²	131	43.9 Å²	43.9	49%	0.494	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	122.5	179.3	-169.6	-171	80.8	-161.3	5.1	111.1	F82	F82-R321 HydrophobicContact CB-CB 4.16Å; F82-R321 VanDerWaalsContact CD1-NH2 3.27Å; F82-R321 PolarHBondContact N-O 3.3Å; F82-R321 PolarHBondContact O-N 2.73Å
322	N	98.8	Very high	98.6	Very high	24 Å²	24	43.6 Å²	43.6	13%	0.128	22%	0.22	C	C	.	.			trans	-72	154.5	169.7	-79.5	-34.4	0	0	0	110.9	F267 I270	F267-N322 WeakPolarHBondContact CA-OD1 3.49Å; F267-N322 HydrophobicContact CD2-CB 4.01Å; F267-N322 HydrophobicContact CE2-CB 3.93Å; F267-N322 PolarHBondContact O-ND2 3.01Å; I270-N322 HydrophobicContact CG2-CB 4.48Å
323	P	98.6	Very high	98.7	Very high	19 Å²	19	42 Å²	42	12%	0.123	21%	0.212	C	C	.	.			trans	-61.5	144.1	167.6	27.7	-34.7	0	0	0	110.3	G80 F82 E329 V330	G80-P323 VanDerWaalsContact O-CD 3.3Å; G80-P323 WeakPolarHBondContact O-CD 3.37Å; F82-P323 HydrophobicContact CE2-CB 4.18Å; P323-E329 WeakPolarHBondContact CA-OE2 3.12Å; P323-E329 HydrophobicContact CB-CB 4.03Å; P323-V330 HydrophobicContact CB-CG2 3.86Å; P323-V330 HydrophobicContact CG-CG2 3.87Å
324	V	98.3	Very high	98.7	Very high	133 Å²	133	40.2 Å²	40.2	81%	0.806	20%	0.2	S	C	*	.	S	Bend	trans	-81.7	-44	172.2	179.2	0	0	0	0	109.6	E329	V324-E329 WeakPolarHBondContact CB-OE1 3.33Å; V324-E329 PolarHBondContact N-OE1 3.44Å; V324-E329 PolarHBondContact N-OE2 2.99Å
325	N	98.7	Very high	98.7	Very high	84 Å²	84	40.8 Å²	40.8	45%	0.449	20%	0.203	S	C	.	.	S	Bend	trans	-123.6	115.4	171.2	-176.8	-76.8	0	0	0	110.6	F327 A328 E329	N325-F327 VanDerWaalsContact C-N 3.34Å; N325-F327 PolarHBondContact O-N 3.12Å; N325-F327 PolarHBondContact OD1-N 3.28Å; N325-F327 VanDerWaalsContact OD1-N 3.08Å; N325-A328 HydrophobicContact CB-CB 4.13Å; N325-A328 PolarHBondContact O-N 3.12Å; N325-A328 WeakPolarHBondContact OD1-CB 3.18Å; N325-A328 PolarHBondContact OD1-N 2.78Å; N325-E329 PolarHBondContact N-OE1 2.64Å; N325-E329 VanDerWaalsContact O-CB 3.3Å; N325-E329 WeakPolarHBondContact O-CB 3.43Å; N325-E329 PolarHBondContact O-N 2.84Å
326	Y	98.8	Very high	98.7	Very high	88 Å²	88	40.8 Å²	40.8	35%	0.345	20%	0.203	S	C	.	.	H	α-helix	trans	-58	-43.4	-177.7	179.5	-83.6	0	0	0	112.7	G78 V330 E331	G78-Y326 PolarHBondContact O-OH 3.14Å; Y326-V330 HydrophobicContact CD1-CB 4.48Å; Y326-V330 HydrophobicContact CD2-CB 3.92Å; Y326-V330 HydrophobicContact CD2-CG1 4.24Å; Y326-V330 HydrophobicContact CD2-CG2 3.96Å; Y326-V330 HydrophobicContact CE1-CB 4.39Å; Y326-V330 HydrophobicContact CE2-CB 3.84Å; Y326-V330 HydrophobicContact CE2-CG1 3.65Å; Y326-V330 HydrophobicContact CE2-CG2 4.21Å; Y326-V330 HydrophobicContact CG-CB 4.23Å; Y326-V330 HydrophobicContact CG-CG2 4.46Å; Y326-V330 WeakPolarHBondContact O-CA 3.12Å; Y326-V330 VanDerWaalsContact O-CB 3.22Å; Y326-V330 WeakPolarHBondContact O-CB 3.34Å; Y326-V330 PolarHBondContact O-N 2.79Å; Y326-E331 HydrophobicContact CE1-CB 4.27Å; Y326-E331 PolarHBondContact O-N 2.79Å
327	F	98.8	Very high	98.7	Very high	81 Å²	81	37.5 Å²	37.5	36%	0.355	19%	0.188	S	C	.	.	I	π-helix	trans	-66.1	-47.9	-176.6	-174.1	-93	0	0	0	111.8	I69 N325 E331 Q332	I69-F327 HydrophobicContact CD1-CE2 4.33Å; I69-F327 HydrophobicContact CD1-CZ 3.99Å; I69-F327 HydrophobicContact CG1-CE2 4.05Å; I69-F327 HydrophobicContact CG1-CZ 3.89Å; I69-F327 HydrophobicContact CG2-CZ 4.18Å; N325-F327 VanDerWaalsContact C-N 3.34Å; N325-F327 PolarHBondContact O-N 3.12Å; N325-F327 PolarHBondContact OD1-N 3.28Å; N325-F327 VanDerWaalsContact OD1-N 3.08Å; F327-E331 HydrophobicContact CD2-CB 3.99Å; F327-E331 HydrophobicContact CD2-CG 4.07Å; F327-E331 HydrophobicContact CE2-CB 4.47Å; F327-E331 HydrophobicContact CE2-CG 4.13Å; F327-E331 HydrophobicContact CG-CB 4.43Å; F327-E331 WeakPolarHBondContact O-CB 3.28Å; F327-E331 PolarHBondContact O-N 3.26Å; F327-Q332 HydrophobicContact CD1-CG 4.44Å; F327-Q332 HydrophobicContact CE1-CG 4.16Å; F327-Q332 WeakPolarHBondContact O-CG 3.35Å; F327-Q332 PolarHBondContact O-N 3.13Å
328	A	98.8	Very high	98.7	Very high	38 Å²	38	39.5 Å²	39.5	31%	0.314	20%	0.203	S	C	.	.	I	π-helix	trans	-66.6	-38	-179.8	0	0	0	0	0	113.2	N325	N325-A328 HydrophobicContact CB-CB 4.13Å; N325-A328 PolarHBondContact O-N 3.12Å; N325-A328 WeakPolarHBondContact OD1-CB 3.18Å; N325-A328 PolarHBondContact OD1-N 2.78Å
329	E	98.9	Very high	98.7	Very high	37 Å²	37	40.9 Å²	40.9	17%	0.173	21%	0.21	C	C	.	.	I	π-helix	trans	-104.2	-21.6	-168.7	-69.3	173.1	-123.1	0	0	114	F82 P323 V324 N325 L333	F82-E329 HydrophobicContact CE2-CB 3.98Å; F82-E329 VanDerWaalsContact CE2-OE2 3.29Å; F82-E329 WeakPolarHBondContact CE2-OE2 3.44Å; F82-E329 HydrophobicContact CZ-CB 3.84Å; F82-E329 HydrophobicContact CZ-CG 4.36Å; P323-E329 WeakPolarHBondContact CA-OE2 3.12Å; P323-E329 HydrophobicContact CB-CB 4.03Å; V324-E329 WeakPolarHBondContact CB-OE1 3.33Å; V324-E329 PolarHBondContact N-OE1 3.44Å; V324-E329 PolarHBondContact N-OE2 2.99Å; N325-E329 PolarHBondContact N-OE1 2.64Å; N325-E329 VanDerWaalsContact O-CB 3.3Å; N325-E329 WeakPolarHBondContact O-CB 3.43Å; N325-E329 PolarHBondContact O-N 2.84Å; E329-L333 WeakPolarHBondContact O-CD1 3.42Å
330	V	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-118.1	-51.2	-177.2	-172.9	0	0	0	0	111.4	R72 R112 P323 Y326 Q332 L333	R72-V330 PolarHBondContact NH2-O 2.85Å; R112-V330 HydrophobicContact CG-CG1 4.22Å; P323-V330 HydrophobicContact CB-CG2 3.86Å; P323-V330 HydrophobicContact CG-CG2 3.87Å; Y326-V330 HydrophobicContact CD1-CB 4.48Å; Y326-V330 HydrophobicContact CD2-CB 3.92Å; Y326-V330 HydrophobicContact CD2-CG1 4.24Å; Y326-V330 HydrophobicContact CD2-CG2 3.96Å; Y326-V330 HydrophobicContact CE1-CB 4.39Å; Y326-V330 HydrophobicContact CE2-CB 3.84Å; Y326-V330 HydrophobicContact CE2-CG1 3.65Å; Y326-V330 HydrophobicContact CE2-CG2 4.21Å; Y326-V330 HydrophobicContact CG-CB 4.23Å; Y326-V330 HydrophobicContact CG-CG2 4.46Å; Y326-V330 WeakPolarHBondContact O-CA 3.12Å; Y326-V330 VanDerWaalsContact O-CB 3.22Å; Y326-V330 WeakPolarHBondContact O-CB 3.34Å; Y326-V330 PolarHBondContact O-N 2.79Å; V330-Q332 PolarHBondContact O-N 2.73Å; V330-L333 VanDerWaalsContact O-CB 3.29Å; V330-L333 WeakPolarHBondContact O-CB 3.44Å; V330-L333 PolarHBondContact O-N 2.88Å
331	E	98.9	Very high	98.7	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.084	21%	0.206	C	C	.	.	I	π-helix	trans	-65.7	-42.9	-178.3	-169.3	48.8	-127.5	0	0	111	I69 R72 Y326 F327 L333 R366	I69-E331 HydrophobicContact CD1-CG 4.4Å; R72-E331 PolarHBondContact NH1-O 2.84Å; R72-E331 IonicContact NH1-OE1 3.31Å; R72-E331 PolarHBondContact NH1-OE1 2.82Å; R72-E331 IonicContact NH1-OE2 2.83Å; R72-E331 PolarHBondContact NH2-O 2.97Å; Y326-E331 HydrophobicContact CE1-CB 4.27Å; Y326-E331 PolarHBondContact O-N 2.79Å; F327-E331 HydrophobicContact CD2-CB 3.99Å; F327-E331 HydrophobicContact CD2-CG 4.07Å; F327-E331 HydrophobicContact CE2-CB 4.47Å; F327-E331 HydrophobicContact CE2-CG 4.13Å; F327-E331 HydrophobicContact CG-CB 4.43Å; F327-E331 WeakPolarHBondContact O-CB 3.28Å; F327-E331 PolarHBondContact O-N 3.26Å; E331-L333 VanDerWaalsContact C-N 3.29Å; E331-L333 PolarHBondContact O-N 2.85Å; E331-R366 PolarHBondContact O-NH1 3.48Å; E331-R366 IonicContact OE1-NH1 2.89Å
332	Q	98.9	Very high	98.7	Very high	42 Å²	42	35.6 Å²	35.6	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.2	177.5	-67	-173.8	86.4	0	0	115	I69 F327 V330 A334 L367 I374 N377	I69-Q332 HydrophobicContact CD1-CG 4.2Å; F327-Q332 HydrophobicContact CD1-CG 4.44Å; F327-Q332 HydrophobicContact CE1-CG 4.16Å; F327-Q332 WeakPolarHBondContact O-CG 3.35Å; F327-Q332 PolarHBondContact O-N 3.13Å; V330-Q332 PolarHBondContact O-N 2.73Å; Q332-A334 PolarHBondContact O-N 3.13Å; Q332-L367 HydrophobicContact CB-CD2 4.08Å; Q332-L367 HydrophobicContact CG-CD2 3.91Å; Q332-L367 VanDerWaalsContact O-CD1 3.29Å; Q332-L367 WeakPolarHBondContact O-CD1 3.44Å; Q332-I374 HydrophobicContact CB-CD1 4.42Å; Q332-I374 HydrophobicContact CB-CG2 4.26Å; Q332-N377 PolarHBondContact O-ND2 3.43Å
333	L	98.8	Very high	98.7	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	19%	0.187	C	C	.	.			trans	-64.4	129.7	176.8	-141.2	177.5	0	0	0	110.6	R72 A110 K135 E329 V330 E331 F335 R366 V376	R72-L333 PolarHBondContact NH2-O 2.92Å; A110-L333 HydrophobicContact CB-CD1 4.08Å; K135-L333 HydrophobicContact CD-CD2 4.49Å; E329-L333 WeakPolarHBondContact O-CD1 3.42Å; V330-L333 VanDerWaalsContact O-CB 3.29Å; V330-L333 WeakPolarHBondContact O-CB 3.44Å; V330-L333 PolarHBondContact O-N 2.88Å; E331-L333 VanDerWaalsContact C-N 3.29Å; E331-L333 PolarHBondContact O-N 2.85Å; L333-F335 HydrophobicContact CB-CE2 4.19Å; L333-F335 HydrophobicContact CD1-CE1 4.34Å; L333-F335 HydrophobicContact CD1-CE2 3.78Å; L333-F335 HydrophobicContact CD1-CZ 3.43Å; L333-F335 VanDerWaalsContact CD1-CZ 3.43Å; L333-F335 HydrophobicContact CD2-CD1 4.11Å; L333-F335 HydrophobicContact CD2-CD2 3.87Å; L333-F335 HydrophobicContact CD2-CE1 3.72Å; L333-F335 HydrophobicContact CD2-CE2 3.44Å; L333-F335 VanDerWaalsContact CD2-CE2 3.44Å; L333-F335 HydrophobicContact CD2-CG 4.18Å; L333-F335 HydrophobicContact CD2-CZ 3.37Å; L333-F335 HydrophobicContact CG-CE2 3.98Å; L333-F335 HydrophobicContact CG-CZ 3.95Å; L333-R366 PolarHBondContact O-NH2 3.36Å; L333-V376 HydrophobicContact CB-CG1 4.4Å; L333-V376 HydrophobicContact CD1-CG2 4.38Å; L333-V376 HydrophobicContact CG-CG1 4.21Å; L333-V376 HydrophobicContact CG-CG2 3.91Å
334	A	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.			trans	-121.2	120.1	179.5	0	0	0	0	0	109.5	K135 Q332 H363 L367 Y371 N377	K135-A334 WeakPolarHBondContact CE-O 3.31Å; K135-A334 PolarHBondContact NZ-O 2.75Å; Q332-A334 PolarHBondContact O-N 3.13Å; A334-H363 HydrophobicContact CB-CB 4.48Å; A334-L367 HydrophobicContact CB-CD1 4.01Å; A334-Y371 HydrophobicContact CB-CD2 3.49Å; A334-Y371 VanDerWaalsContact CB-CD2 3.49Å; A334-Y371 HydrophobicContact CB-CE2 3.51Å; A334-N377 PolarHBondContact N-OD1 2.97Å
335	F	98.9	Very high	98.7	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.053	15%	0.149	C	C	.	.			trans	-113.1	121.4	176.1	-54.8	-95.2	0	0	0	109.3	R112 A133 K135 D144 T146 L333 Y359 H363	R112-F335 HydrophobicContact CB-CE2 3.45Å; R112-F335 VanDerWaalsContact CB-CE2 3.45Å; R112-F335 HydrophobicContact CB-CZ 3.65Å; R112-F335 HydrophobicContact CG-CE2 4.47Å; A133-F335 HydrophobicContact CB-CB 4.28Å; A133-F335 HydrophobicContact CB-CD1 3.86Å; A133-F335 HydrophobicContact CB-CD2 3.78Å; A133-F335 HydrophobicContact CB-CE1 4.02Å; A133-F335 HydrophobicContact CB-CE2 3.95Å; A133-F335 HydrophobicContact CB-CG 3.74Å; A133-F335 HydrophobicContact CB-CZ 4.05Å; K135-F335 HydrophobicContact CB-CD1 3.79Å; K135-F335 HydrophobicContact CB-CE1 3.66Å; D144-F335 HydrophobicContact CB-CB 4.27Å; D144-F335 WeakPolarHBondContact OD2-CA 3.2Å; T146-F335 HydrophobicContact CG2-CB 3.35Å; T146-F335 HydrophobicContact CG2-CG 4.42Å; L333-F335 HydrophobicContact CB-CE2 4.19Å; L333-F335 HydrophobicContact CD1-CE1 4.34Å; L333-F335 HydrophobicContact CD1-CE2 3.78Å; L333-F335 HydrophobicContact CD1-CZ 3.43Å; L333-F335 VanDerWaalsContact CD1-CZ 3.43Å; L333-F335 HydrophobicContact CD2-CD1 4.11Å; L333-F335 HydrophobicContact CD2-CD2 3.87Å; L333-F335 HydrophobicContact CD2-CE1 3.72Å; L333-F335 HydrophobicContact CD2-CE2 3.44Å; L333-F335 VanDerWaalsContact CD2-CE2 3.44Å; L333-F335 HydrophobicContact CD2-CG 4.18Å; L333-F335 HydrophobicContact CD2-CZ 3.37Å; L333-F335 HydrophobicContact CG-CE2 3.98Å; L333-F335 HydrophobicContact CG-CZ 3.95Å; F335-Y359 WeakPolarHBondContact O-CD1 3.16Å; F335-H363 PolarHBondContact O-CE1 2.95Å
336	D	98.7	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.			trans	-116.3	114.8	-177.6	-57.8	-56.1	0	0	0	109.8	D144 S338 N339 Y359 P360 H363 Y371	D144-D336 WeakPolarHBondContact CB-O 3.45Å; D144-D336 PolarHBondContact OD2-N 3.32Å; D336-S338 PolarHBondContact O-N 2.79Å; D336-N339 VanDerWaalsContact O-CB 3.27Å; D336-N339 WeakPolarHBondContact O-CB 3.34Å; D336-N339 PolarHBondContact O-N 2.81Å; D336-Y359 VanDerWaalsContact OD1-C 3.29Å; D336-Y359 WeakPolarHBondContact OD1-CB 3.26Å; D336-P360 HydrophobicContact CB-CG 4.06Å; D336-P360 WeakPolarHBondContact OD1-CD 3.32Å; D336-H363 IonicContact OD1-CE1 3.79Å; D336-H363 PolarHBondContact OD1-CE1 3.18Å; D336-H363 IonicContact OD1-CG 3.85Å; D336-H363 IonicContact OD1-ND1 3.46Å; D336-H363 PolarHBondContact OD1-ND1 2.84Å; D336-H363 IonicContact OD2-ND1 2.75Å; D336-Y371 PolarHBondContact OD2-OH 2.95Å
337	P	98.5	Very high	98.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.6	177.5	8.5	-12.2	0	0	0	114.3	T146 M340 L352 R355 Y359	T146-P337 HydrophobicContact CG2-CG 4.45Å; T146-P337 WeakPolarHBondContact OG1-CB 3.14Å; T146-P337 VanDerWaalsContact OG1-CG 3.32Å; T146-P337 WeakPolarHBondContact OG1-CG 3.24Å; P337-M340 WeakPolarHBondContact O-CE 3.29Å; P337-M340 WeakPolarHBondContact O-CG 3.46Å; P337-L352 HydrophobicContact CB-CD1 4.34Å; P337-R355 HydrophobicContact CG-CB 3.84Å; P337-Y359 VanDerWaalsContact CD-CG 3.47Å; P337-Y359 HydrophobicContact CG-CD2 3.83Å; P337-Y359 HydrophobicContact CG-CE2 4.09Å; P337-Y359 HydrophobicContact CG-CG 4.15Å
338	S	98.6	Very high	98.7	Very high	45 Å²	45	20.3 Å²	20.3	32%	0.315	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.1	169.6	49.1	0	0	0	0	114.3	D336 M340 L356 P360	D336-S338 PolarHBondContact O-N 2.79Å; S338-M340 VanDerWaalsContact C-N 3.29Å; S338-M340 PolarHBondContact O-N 3.02Å; S338-L356 PolarHBondContact OG-O 2.73Å; S338-P360 WeakPolarHBondContact OG-CG 3.42Å
339	N	98.8	Very high	98.7	Very high	39 Å²	39	18.6 Å²	18.6	21%	0.209	11%	0.105	C	C	.	.			trans	-73.1	85.2	169	-71.6	-22.8	0	0	0	109	W143 D144 D336	W143-N339 WeakPolarHBondContact CA-O 3.46Å; D144-N339 HydrophobicContact CB-CB 4.19Å; D144-N339 PolarHBondContact N-O 3.02Å; D144-N339 PolarHBondContact OD2-ND2 3.46Å; D336-N339 VanDerWaalsContact O-CB 3.27Å; D336-N339 WeakPolarHBondContact O-CB 3.34Å; D336-N339 PolarHBondContact O-N 2.81Å
340	M	98.8	Very high	98.7	Very high	47 Å²	47	20.5 Å²	20.5	23%	0.232	11%	0.113	C	C	.	.			trans	-125.4	118.7	176.8	-66.4	179.1	-77.8	0	0	109.6	F220 P337 S338 I344 A346 L356	F220-M340 HydrophobicContact CD1-SD 4.29Å; F220-M340 HydrophobicContact CE1-SD 4.45Å; P337-M340 WeakPolarHBondContact O-CE 3.29Å; P337-M340 WeakPolarHBondContact O-CG 3.46Å; S338-M340 VanDerWaalsContact C-N 3.29Å; S338-M340 PolarHBondContact O-N 3.02Å; M340-I344 HydrophobicContact CB-CB 4.41Å; M340-I344 HydrophobicContact CB-CG2 4.36Å; M340-I344 WeakPolarHBondContact CB-O 3Å; M340-I344 HydrophobicContact CG-CG2 4.2Å; M340-I344 HydrophobicContact SD-CG2 4.21Å; M340-A346 HydrophobicContact CE-CB 4.03Å; M340-L356 HydrophobicContact CE-CD2 3.83Å
341	P	98.6	Very high	98.6	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.032	12%	0.115	C	C	.	.			trans	-73.8	164.6	177.2	31.7	-36.5	0	0	0	111.1	E140 W143 G343 I344	E140-P341 HydrophobicContact CB-CB 4.19Å; W143-P341 HydrophobicContact CB-CG 3.93Å; W143-P341 HydrophobicContact CG-CG 4.34Å; P341-G343 PolarHBondContact O-N 3.17Å; P341-I344 HydrophobicContact CG-CD1 4.34Å; P341-I344 PolarHBondContact O-N 3.31Å; P341-I344 VanDerWaalsContact O-N 3.09Å
342	P	98.6	Very high	98.6	Very high	32 Å²	32	20 Å²	20	21%	0.208	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	128.4	177.8	-27.9	35.7	0	0	0	112.8	A97 F419	A97-P342 WeakPolarHBondContact CA-O 3.37Å; A97-P342 WeakPolarHBondContact CB-O 3.47Å; A97-P342 PolarHBondContact N-O 2.72Å; P342-F419 HydrophobicContact CB-CD1 3.8Å; P342-F419 HydrophobicContact CB-CE1 4.33Å; P342-F419 HydrophobicContact CG-CB 4.29Å; P342-F419 HydrophobicContact CG-CD1 3.49Å; P342-F419 VanDerWaalsContact CG-CD1 3.49Å; P342-F419 HydrophobicContact CG-CE1 3.98Å; P342-F419 HydrophobicContact CG-CG 4.03Å
343	G	98.4	Very high	98.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-15.6	-176.6	0	0	0	0	0	114.5	C95 L222 V223 P341	C95-G343 PolarHBondContact SG-O 3.29Å; L222-G343 CarbonylContact C-O 3.4Å; L222-G343 WeakPolarHBondContact CA-O 3.37Å; V223-G343 PolarHBondContact N-O 3.38Å; V223-G343 WeakPolarHBondContact O-CA 3.24Å; P341-G343 PolarHBondContact O-N 3.17Å
344	I	98.9	Very high	98.6	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.4	171.4	-55.6	173.6	0	0	0	107.7	A97 F100 W143 L222 F234 M340 P341	A97-I344 HydrophobicContact CB-CD1 4.1Å; A97-I344 HydrophobicContact CB-CG1 3.96Å; F100-I344 HydrophobicContact CE2-CD1 3.97Å; W143-I344 HydrophobicContact CD2-CD1 3.71Å; W143-I344 HydrophobicContact CE3-CD1 4.06Å; W143-I344 HydrophobicContact CG-CD1 4.21Å; W143-I344 HydrophobicContact CH2-CD1 4.22Å; W143-I344 HydrophobicContact CZ2-CD1 3.85Å; W143-I344 HydrophobicContact CZ3-CD1 4.3Å; L222-I344 HydrophobicContact CD2-CG1 4.14Å; F234-I344 HydrophobicContact CZ-CG2 4.44Å; M340-I344 HydrophobicContact CB-CB 4.41Å; M340-I344 HydrophobicContact CB-CG2 4.36Å; M340-I344 WeakPolarHBondContact CB-O 3Å; M340-I344 HydrophobicContact CG-CG2 4.2Å; M340-I344 HydrophobicContact SD-CG2 4.21Å; P341-I344 HydrophobicContact CG-CD1 4.34Å; P341-I344 PolarHBondContact O-N 3.31Å; P341-I344 VanDerWaalsContact O-N 3.09Å
345	E	98.8	Very high	98.6	Very high	27 Å²	27	25.1 Å²	25.1	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.9	-178.1	-65.9	-179.5	-159.8	0	0	110.6	K221 V223 S422	K221-E345 HydrophobicContact CB-CB 4.17Å; K221-E345 WeakPolarHBondContact CE-OE2 3.46Å; K221-E345 PolarHBondContact N-O 3.09Å; K221-E345 IonicContact NZ-OE2 3.91Å; K221-E345 PolarHBondContact NZ-OE2 3.13Å; K221-E345 PolarHBondContact O-N 2.89Å; V223-E345 HydrophobicContact CG2-CG 4.34Å; V223-E345 WeakPolarHBondContact CG2-OE1 3.37Å; E345-S422 PolarHBondContact OE1-N 3.44Å; E345-S422 PolarHBondContact OE1-OG 2.93Å; E345-S422 PolarHBondContact OE2-N 3.46Å; E345-S422 PolarHBondContact OE2-OG 3.34Å
346	A	98.7	Very high	98.6	Very high	18 Å²	18	26.3 Å²	26.3	15%	0.149	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	154	173.5	0	0	0	0	0	111.9	M340 L352 L356	M340-A346 HydrophobicContact CE-CB 4.03Å; A346-L352 HydrophobicContact CB-CD2 3.82Å; A346-L352 HydrophobicContact CB-CG 4.29Å; A346-L356 HydrophobicContact CB-CD1 3.82Å; A346-L356 HydrophobicContact CB-CD2 4.46Å
347	S	98.5	Very high	98.6	Very high	3 Å²	3	33 Å²	33	2%	0.021	18%	0.177	C	C	.	.			trans	-95.3	174.6	165.7	77.6	0	0	0	0	111.2	T219 D349 Q353	T219-S347 WeakPolarHBondContact O-CB 3.4Å; T219-S347 PolarHBondContact O-OG 2.79Å; S347-D349 PolarHBondContact O-N 3.37Å; S347-D349 VanDerWaalsContact O-N 3.08Å; S347-D349 WeakPolarHBondContact OG-CB 3.15Å; S347-D349 PolarHBondContact OG-N 3.39Å; S347-Q353 PolarHBondContact O-NE2 2.85Å
348	P	97.9	Very high	98.6	Very high	56 Å²	56	35.3 Å²	35.3	36%	0.364	19%	0.193	S	C	.	.	S	Bend	trans	-67.8	7.6	172.5	-21.9	35.5	0	0	0	116.1	F298 K350	F298-P348 HydrophobicContact CD2-CB 4.2Å; F298-P348 HydrophobicContact CD2-CG 4.36Å; F298-P348 HydrophobicContact CE2-CG 4.24Å; F298-P348 HydrophobicContact CG-CB 4.37Å; F298-P348 HydrophobicContact CZ-CG 4.38Å; P348-K350 PolarHBondContact O-N 3.2Å
349	D	98.6	Very high	98.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.187	C	C	.	.			trans	-56.2	113.4	175.2	177.2	-25	0	0	0	110.2	H218 F298 S347 M351 L352 Q353	H218-D349 IonicContact CE1-OD2 3.41Å; H218-D349 IonicContact CG-OD2 3.38Å; H218-D349 IonicContact ND1-OD1 2.92Å; H218-D349 IonicContact ND1-OD2 3.01Å; H218-D349 PolarHBondContact ND1-OD2 3.37Å; F298-D349 HydrophobicContact CB-CB 4.13Å; F298-D349 WeakPolarHBondContact O-CA 3.46Å; F298-D349 VanDerWaalsContact O-CB 3.31Å; F298-D349 WeakPolarHBondContact O-CB 3.29Å; S347-D349 PolarHBondContact O-N 3.37Å; S347-D349 VanDerWaalsContact O-N 3.08Å; S347-D349 WeakPolarHBondContact OG-CB 3.15Å; S347-D349 PolarHBondContact OG-N 3.39Å; D349-M351 PolarHBondContact O-N 3.25Å; D349-M351 WeakPolarHBondContact OD1-CA 3.07Å; D349-M351 VanDerWaalsContact OD1-CB 3.3Å; D349-M351 WeakPolarHBondContact OD1-CB 3.29Å; D349-M351 PolarHBondContact OD1-N 2.96Å; D349-L352 HydrophobicContact CB-CB 3.92Å; D349-L352 WeakPolarHBondContact O-CB 3.12Å; D349-L352 PolarHBondContact O-N 2.8Å; D349-L352 PolarHBondContact OD1-N 3.43Å; D349-Q353 WeakPolarHBondContact O-CG 3.45Å; D349-Q353 PolarHBondContact O-N 3.46Å
350	K	98.5	Very high	98.6	Very high	78 Å²	78	34.1 Å²	34.1	34%	0.339	18%	0.181	S	C	.	.	H	α-helix	trans	-59	-33.9	-175	-62.7	-176.6	179.6	177.7	0	112.6	D157 P348 G354 Y433	D157-K350 HydrophobicContact CB-CD 4.37Å; D157-K350 WeakPolarHBondContact OD2-CD 3.41Å; D157-K350 IonicContact OD2-NZ 3.73Å; D157-K350 PolarHBondContact OD2-NZ 2.9Å; D157-K350 VanDerWaalsContact OD2-NZ 3.1Å; P348-K350 PolarHBondContact O-N 3.2Å; K350-G354 PolarHBondContact O-N 3.09Å; K350-G354 VanDerWaalsContact O-N 3.16Å; K350-Y433 PolarHBondContact NZ-O 2.59Å
351	M	98.6	Very high	98.6	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-47.1	175.7	-72.4	-69.9	-62.6	0	0	110.3	F153 I155 A158 F161 L300 D349 Q353 G354 R355	F153-M351 HydrophobicContact CD1-CE 3.83Å; F153-M351 HydrophobicContact CE1-CE 4.09Å; I155-M351 HydrophobicContact CD1-CE 4Å; I155-M351 HydrophobicContact CD1-SD 3.92Å; I155-M351 HydrophobicContact CG1-CE 3.85Å; I155-M351 HydrophobicContact CG1-SD 3.82Å; A158-M351 VanDerWaalsContact CA-SD 3.53Å; A158-M351 HydrophobicContact CB-SD 4.26Å; A158-M351 PolarHBondContact N-SD 3.1Å; A158-M351 VanDerWaalsContact N-SD 3.35Å; F161-M351 HydrophobicContact CD2-CE 3.88Å; L300-M351 HydrophobicContact CB-CG 4.36Å; L300-M351 HydrophobicContact CD2-CB 3.62Å; L300-M351 HydrophobicContact CD2-CE 4.35Å; L300-M351 HydrophobicContact CD2-CG 3.8Å; D349-M351 PolarHBondContact O-N 3.25Å; D349-M351 WeakPolarHBondContact OD1-CA 3.07Å; D349-M351 VanDerWaalsContact OD1-CB 3.3Å; D349-M351 WeakPolarHBondContact OD1-CB 3.29Å; D349-M351 PolarHBondContact OD1-N 2.96Å; M351-Q353 VanDerWaalsContact C-N 3.32Å; M351-Q353 PolarHBondContact O-N 2.93Å; M351-G354 PolarHBondContact O-N 3.4Å; M351-R355 VanDerWaalsContact O-CG 3.29Å; M351-R355 WeakPolarHBondContact O-CG 3.03Å; M351-R355 PolarHBondContact O-N 3.15Å; M351-R355 VanDerWaalsContact O-N 3.1Å
352	L	98.8	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-47.1	176.6	-179.7	57.9	0	0	0	110.8	H218 F220 P337 A346 D349 G354 R355 L356	H218-L352 HydrophobicContact CB-CB 4.24Å; H218-L352 HydrophobicContact CB-CD1 4.49Å; H218-L352 HydrophobicContact CB-CD2 4.13Å; H218-L352 PolarHBondContact CE1-N 2.8Å; F220-L352 HydrophobicContact CD1-CD2 3.94Å; F220-L352 HydrophobicContact CE1-CD1 3.88Å; F220-L352 HydrophobicContact CE1-CD2 3.82Å; F220-L352 HydrophobicContact CZ-CD1 4.11Å; F220-L352 HydrophobicContact CZ-CD2 4.34Å; P337-L352 HydrophobicContact CB-CD1 4.34Å; A346-L352 HydrophobicContact CB-CD2 3.82Å; A346-L352 HydrophobicContact CB-CG 4.29Å; D349-L352 HydrophobicContact CB-CB 3.92Å; D349-L352 WeakPolarHBondContact O-CB 3.12Å; D349-L352 PolarHBondContact O-N 2.8Å; D349-L352 PolarHBondContact OD1-N 3.43Å; L352-G354 VanDerWaalsContact C-N 3.34Å; L352-G354 PolarHBondContact O-N 2.88Å; L352-R355 WeakPolarHBondContact O-CA 3.2Å; L352-R355 WeakPolarHBondContact O-CB 3.35Å; L352-R355 PolarHBondContact O-N 3.15Å; L352-L356 HydrophobicContact CD1-CD2 4.31Å; L352-L356 WeakPolarHBondContact O-CG 3.25Å; L352-L356 PolarHBondContact O-N 2.73Å
353	Q	98.8	Very high	98.7	Very high	90 Å²	90	35.9 Å²	35.9	42%	0.421	19%	0.19	S	C	.	.	H	α-helix	trans	-56	-44.4	178.9	-68.6	-62.7	-40.4	0	0	112.4	S347 D349 M351 R355 L356	S347-Q353 PolarHBondContact O-NE2 2.85Å; D349-Q353 WeakPolarHBondContact O-CG 3.45Å; D349-Q353 PolarHBondContact O-N 3.46Å; M351-Q353 VanDerWaalsContact C-N 3.32Å; M351-Q353 PolarHBondContact O-N 2.93Å; Q353-R355 VanDerWaalsContact C-N 3.32Å; Q353-R355 PolarHBondContact O-N 3.13Å; Q353-L356 WeakPolarHBondContact O-CB 3.46Å; Q353-L356 PolarHBondContact O-N 3.21Å
354	G	98.7	Very high	98.7	Very high	27 Å²	27	42.2 Å²	42.2	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-36.4	174.1	0	0	0	0	0	113.5	K350 M351 L352 L356 F357 S358	K350-G354 PolarHBondContact O-N 3.09Å; K350-G354 VanDerWaalsContact O-N 3.16Å; M351-G354 PolarHBondContact O-N 3.4Å; L352-G354 VanDerWaalsContact C-N 3.34Å; L352-G354 PolarHBondContact O-N 2.88Å; G354-L356 PolarHBondContact O-N 2.77Å; G354-F357 PolarHBondContact O-N 3.07Å; G354-S358 WeakPolarHBondContact O-CB 3.32Å; G354-S358 PolarHBondContact O-N 3.01Å; G354-S358 VanDerWaalsContact O-N 3.08Å
355	R	98.7	Very high	98.7	Very high	35 Å²	35	48.9 Å²	48.9	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-30.2	178.1	-65.1	177	75.1	-164.9	4.9	113	T146 H218 P337 M351 L352 Q353 F357 S358 Y359	T146-R355 VanDerWaalsContact CB-NH2 3.33Å; T146-R355 PolarHBondContact O-NH1 3.45Å; T146-R355 VanDerWaalsContact O-NH1 3.12Å; T146-R355 PolarHBondContact O-NH2 2.96Å; T146-R355 PolarHBondContact OG1-NH2 2.85Å; H218-R355 PolarHBondContact CD2-NH1 3.27Å; H218-R355 VanDerWaalsContact NE2-CD 3.34Å; H218-R355 WeakPolarHBondContact NE2-CD 3.42Å; H218-R355 PolarHBondContact NE2-NH1 2.64Å; P337-R355 HydrophobicContact CG-CB 3.84Å; M351-R355 VanDerWaalsContact O-CG 3.29Å; M351-R355 WeakPolarHBondContact O-CG 3.03Å; M351-R355 PolarHBondContact O-N 3.15Å; M351-R355 VanDerWaalsContact O-N 3.1Å; L352-R355 WeakPolarHBondContact O-CA 3.2Å; L352-R355 WeakPolarHBondContact O-CB 3.35Å; L352-R355 PolarHBondContact O-N 3.15Å; Q353-R355 VanDerWaalsContact C-N 3.32Å; Q353-R355 PolarHBondContact O-N 3.13Å; R355-F357 PolarHBondContact O-N 3.43Å; R355-S358 PolarHBondContact O-N 2.77Å; R355-Y359 HydrophobicContact CB-CD2 4.04Å; R355-Y359 HydrophobicContact CB-CE2 3.9Å; R355-Y359 HydrophobicContact CG-CE2 3.92Å; R355-Y359 PolarHBondContact NE-OH 3.29Å; R355-Y359 PolarHBondContact NH2-OH 2.72Å; R355-Y359 WeakPolarHBondContact O-CD2 3.3Å; R355-Y359 PolarHBondContact O-N 3.1Å
356	L	98.7	Very high	98.7	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.199	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-34.9	176.7	-59.8	-178.9	0	0	0	112	S338 M340 A346 L352 Q353 G354	S338-L356 PolarHBondContact OG-O 2.73Å; M340-L356 HydrophobicContact CE-CD2 3.83Å; A346-L356 HydrophobicContact CB-CD1 3.82Å; A346-L356 HydrophobicContact CB-CD2 4.46Å; L352-L356 HydrophobicContact CD1-CD2 4.31Å; L352-L356 WeakPolarHBondContact O-CG 3.25Å; L352-L356 PolarHBondContact O-N 2.73Å; Q353-L356 WeakPolarHBondContact O-CB 3.46Å; Q353-L356 PolarHBondContact O-N 3.21Å; G354-L356 PolarHBondContact O-N 2.77Å
357	F	98.8	Very high	98.7	Very high	140 Å²	140	48.7 Å²	48.7	61%	0.614	24%	0.241	S	C	*	.	H	α-helix	trans	-83.1	-50.3	174.5	168.7	-101.1	0	0	0	112.7	G354 R355 Y359 P360 D361	G354-F357 PolarHBondContact O-N 3.07Å; R355-F357 PolarHBondContact O-N 3.43Å; F357-Y359 PolarHBondContact O-N 3.1Å; F357-P360 WeakPolarHBondContact O-CD 3.16Å; F357-D361 HydrophobicContact CE1-CB 4.25Å; F357-D361 HydrophobicContact CE2-CB 4.35Å; F357-D361 HydrophobicContact CZ-CB 4.04Å; F357-D361 WeakPolarHBondContact O-CB 3.08Å; F357-D361 PolarHBondContact O-N 3.4Å
358	S	98.6	Very high	98.7	Very high	50 Å²	50	49.6 Å²	49.6	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-35.2	-163.9	178.7	0	0	0	0	114.6	G354 R355 T362	G354-S358 WeakPolarHBondContact O-CB 3.32Å; G354-S358 PolarHBondContact O-N 3.01Å; G354-S358 VanDerWaalsContact O-N 3.08Å; R355-S358 PolarHBondContact O-N 2.77Å; S358-T362 PolarHBondContact O-N 3.44Å
359	Y	98.8	Very high	98.7	Very high	47 Å²	47	49.6 Å²	49.6	18%	0.184	26%	0.255	C	S	.	.	H	α-helix	trans	-72.5	-53.4	-175	-79	-107	0	0	0	112.5	F335 D336 P337 R355 F357 D361 T362 H363	F335-Y359 WeakPolarHBondContact O-CD1 3.16Å; D336-Y359 VanDerWaalsContact OD1-C 3.29Å; D336-Y359 WeakPolarHBondContact OD1-CB 3.26Å; P337-Y359 VanDerWaalsContact CD-CG 3.47Å; P337-Y359 HydrophobicContact CG-CD2 3.83Å; P337-Y359 HydrophobicContact CG-CE2 4.09Å; P337-Y359 HydrophobicContact CG-CG 4.15Å; R355-Y359 HydrophobicContact CB-CD2 4.04Å; R355-Y359 HydrophobicContact CB-CE2 3.9Å; R355-Y359 HydrophobicContact CG-CE2 3.92Å; R355-Y359 PolarHBondContact NE-OH 3.29Å; R355-Y359 PolarHBondContact NH2-OH 2.72Å; R355-Y359 WeakPolarHBondContact O-CD2 3.3Å; R355-Y359 PolarHBondContact O-N 3.1Å; F357-Y359 PolarHBondContact O-N 3.1Å; Y359-D361 PolarHBondContact O-N 3.39Å; Y359-T362 WeakPolarHBondContact O-CG2 3.34Å; Y359-T362 PolarHBondContact O-N 3.25Å; Y359-H363 WeakPolarHBondContact O-CB 3.48Å; Y359-H363 PolarHBondContact O-N 3.4Å; Y359-H363 PolarHBondContact O-ND1 2.97Å
360	P	98.8	Very high	98.7	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-35.6	173.5	-26.9	33.8	0	0	0	113	D336 S338 F357 R364	D336-P360 HydrophobicContact CB-CG 4.06Å; D336-P360 WeakPolarHBondContact OD1-CD 3.32Å; S338-P360 WeakPolarHBondContact OG-CG 3.42Å; F357-P360 WeakPolarHBondContact O-CD 3.16Å; P360-R364 VanDerWaalsContact O-CG 3.26Å; P360-R364 WeakPolarHBondContact O-CG 3.3Å; P360-R364 PolarHBondContact O-N 2.93Å; P360-R364 VanDerWaalsContact O-N 3.1Å
361	D	98.9	Very high	98.7	Very high	77 Å²	77	48 Å²	48	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-55.2	176.5	-178	68.6	0	0	0	112.2	F357 Y359 H363 R364 H365	F357-D361 HydrophobicContact CE1-CB 4.25Å; F357-D361 HydrophobicContact CE2-CB 4.35Å; F357-D361 HydrophobicContact CZ-CB 4.04Å; F357-D361 WeakPolarHBondContact O-CB 3.08Å; F357-D361 PolarHBondContact O-N 3.4Å; Y359-D361 PolarHBondContact O-N 3.39Å; D361-H363 VanDerWaalsContact C-N 3.25Å; D361-H363 PolarHBondContact O-N 2.9Å; D361-R364 PolarHBondContact O-N 2.75Å; D361-H365 PolarHBondContact O-N 2.97Å
362	T	98.7	Very high	98.7	Very high	36 Å²	36	51.1 Å²	51.1	22%	0.221	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-29.4	179.5	-162.8	0	0	0	0	112.4	S358 Y359 H365 R366	S358-T362 PolarHBondContact O-N 3.44Å; Y359-T362 WeakPolarHBondContact O-CG2 3.34Å; Y359-T362 PolarHBondContact O-N 3.25Å; T362-H365 PolarHBondContact O-N 3.22Å; T362-R366 WeakPolarHBondContact O-CB 3.08Å; T362-R366 PolarHBondContact O-N 3.46Å
363	H	98.9	Very high	98.7	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-39	175	-69	144.1	0	0	0	113.2	A334 F335 D336 Y359 D361 H365 R366 L367 G368 Y371	A334-H363 HydrophobicContact CB-CB 4.48Å; F335-H363 PolarHBondContact O-CE1 2.95Å; D336-H363 IonicContact OD1-CE1 3.79Å; D336-H363 PolarHBondContact OD1-CE1 3.18Å; D336-H363 IonicContact OD1-CG 3.85Å; D336-H363 IonicContact OD1-ND1 3.46Å; D336-H363 PolarHBondContact OD1-ND1 2.84Å; D336-H363 IonicContact OD2-ND1 2.75Å; Y359-H363 WeakPolarHBondContact O-CB 3.48Å; Y359-H363 PolarHBondContact O-N 3.4Å; Y359-H363 PolarHBondContact O-ND1 2.97Å; D361-H363 VanDerWaalsContact C-N 3.25Å; D361-H363 PolarHBondContact O-N 2.9Å; H363-H365 PolarHBondContact O-N 3.16Å; H363-R366 PolarHBondContact CD2-NH2 2.9Å; H363-R366 VanDerWaalsContact CD2-NH2 3.29Å; H363-R366 PolarHBondContact NE2-NH2 3.1Å; H363-R366 PolarHBondContact O-N 3.45Å; H363-L367 WeakPolarHBondContact O-CB 3.4Å; H363-L367 PolarHBondContact O-N 3.42Å; H363-G368 PolarHBondContact O-N 3.48Å; H363-Y371 HydrophobicContact CB-CD1 3.97Å; H363-Y371 HydrophobicContact CB-CD2 3.94Å; H363-Y371 HydrophobicContact CB-CE1 3.84Å; H363-Y371 HydrophobicContact CB-CE2 3.8Å; H363-Y371 HydrophobicContact CB-CG 4.01Å
364	R	98.8	Very high	98.7	Very high	133 Å²	133	50.8 Å²	50.8	50%	0.502	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-34.1	174	-71.3	167	-169.3	125.8	1.3	112.2	P360 D361 G368 Y371	P360-R364 VanDerWaalsContact O-CG 3.26Å; P360-R364 WeakPolarHBondContact O-CG 3.3Å; P360-R364 PolarHBondContact O-N 2.93Å; P360-R364 VanDerWaalsContact O-N 3.1Å; D361-R364 PolarHBondContact O-N 2.75Å; R364-G368 CarbonylContact O-C 3.42Å; R364-G368 VanDerWaalsContact O-C 3.25Å; R364-G368 WeakPolarHBondContact O-CA 3.49Å; R364-G368 PolarHBondContact O-N 3.32Å; R364-Y371 HydrophobicContact CG-CD1 4.4Å; R364-Y371 HydrophobicContact CG-CE1 4.27Å
365	H	98.8	Very high	98.8	Very high	144 Å²	144	54.8 Å²	54.8	67%	0.667	29%	0.287	S	S	*	.	H	α-helix	trans	-73.9	-53.4	173.2	170.5	60.2	0	0	0	112.5	D361 T362 H363	D361-H365 PolarHBondContact O-N 2.97Å; T362-H365 PolarHBondContact O-N 3.22Å; H363-H365 PolarHBondContact O-N 3.16Å
366	R	98.8	Very high	98.8	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-69.2	-39.7	-170.4	-177.4	172	65.4	86.2	0.1	113.6	P70 E331 L333 T362 H363	P70-R366 HydrophobicContact CB-CG 4.3Å; P70-R366 VanDerWaalsContact O-CD 3.29Å; P70-R366 WeakPolarHBondContact O-CD 3.15Å; P70-R366 WeakPolarHBondContact O-CG 3.39Å; E331-R366 PolarHBondContact O-NH1 3.48Å; E331-R366 IonicContact OE1-NH1 2.89Å; L333-R366 PolarHBondContact O-NH2 3.36Å; T362-R366 WeakPolarHBondContact O-CB 3.08Å; T362-R366 PolarHBondContact O-N 3.46Å; H363-R366 PolarHBondContact CD2-NH2 2.9Å; H363-R366 VanDerWaalsContact CD2-NH2 3.29Å; H363-R366 PolarHBondContact NE2-NH2 3.1Å; H363-R366 PolarHBondContact O-N 3.45Å
367	L	98.8	Very high	98.8	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.178	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-27.6	-173.3	-61.6	175.8	0	0	0	112.6	I69 Q332 A334 H363 Y371 I374	I69-L367 HydrophobicContact CD1-CD2 3.67Å; Q332-L367 HydrophobicContact CB-CD2 4.08Å; Q332-L367 HydrophobicContact CG-CD2 3.91Å; Q332-L367 VanDerWaalsContact O-CD1 3.29Å; Q332-L367 WeakPolarHBondContact O-CD1 3.44Å; A334-L367 HydrophobicContact CB-CD1 4.01Å; H363-L367 WeakPolarHBondContact O-CB 3.4Å; H363-L367 PolarHBondContact O-N 3.42Å; L367-Y371 HydrophobicContact CD1-CD2 4.33Å; L367-Y371 HydrophobicContact CD1-CG 4.48Å; L367-I374 HydrophobicContact CB-CD1 4.19Å; L367-I374 HydrophobicContact CD1-CD1 4.35Å
368	G	98.7	Very high	98.7	Very high	22 Å²	22	47.3 Å²	47.3	23%	0.227	26%	0.259	C	S	.	.			trans	117.1	166.1	-178.7	0	0	0	0	0	113	H363 R364 N370 Y371	H363-G368 PolarHBondContact O-N 3.48Å; R364-G368 CarbonylContact O-C 3.42Å; R364-G368 VanDerWaalsContact O-C 3.25Å; R364-G368 WeakPolarHBondContact O-CA 3.49Å; R364-G368 PolarHBondContact O-N 3.32Å; G368-N370 PolarHBondContact O-N 3.34Å; G368-N370 VanDerWaalsContact O-N 3.15Å; G368-Y371 WeakPolarHBondContact O-CB 3.29Å; G368-Y371 PolarHBondContact O-N 3.02Å; G368-Y371 VanDerWaalsContact O-N 3.13Å
369	A	98.5	Very high	98.7	Very high	56 Å²	56	46 Å²	46	46%	0.463	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.4	-175.1	0	0	0	0	0	113.3	P392	A369-P392 HydrophobicContact CB-CG 4.06Å
370	N	98.7	Very high	98.7	Very high	37 Å²	37	49.4 Å²	49.4	20%	0.198	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	26.1	-177.8	-76.1	-41.7	0	0	0	113.7	G368 L372 Q373 D390 G391 P392	G368-N370 PolarHBondContact O-N 3.34Å; G368-N370 VanDerWaalsContact O-N 3.15Å; N370-L372 PolarHBondContact O-N 3.34Å; N370-Q373 HydrophobicContact CB-CG 4.21Å; N370-Q373 WeakPolarHBondContact O-CB 3.41Å; N370-Q373 PolarHBondContact O-N 2.92Å; N370-Q373 PolarHBondContact OD1-NE2 3.18Å; N370-Q373 VanDerWaalsContact OD1-NE2 3.15Å; N370-D390 PolarHBondContact ND2-O 3.39Å; N370-G391 PolarHBondContact ND2-O 2.8Å; N370-P392 PolarHBondContact ND2-O 2.81Å
371	Y	98.9	Very high	98.7	Very high	9 Å²	9	55 Å²	55	4%	0.035	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.6	-25.6	-176.4	79.2	-85.4	0	0	0	115	A334 D336 H363 R364 L367 G368 Q373 I374 N377	A334-Y371 HydrophobicContact CB-CD2 3.49Å; A334-Y371 VanDerWaalsContact CB-CD2 3.49Å; A334-Y371 HydrophobicContact CB-CE2 3.51Å; D336-Y371 PolarHBondContact OD2-OH 2.95Å; H363-Y371 HydrophobicContact CB-CD1 3.97Å; H363-Y371 HydrophobicContact CB-CD2 3.94Å; H363-Y371 HydrophobicContact CB-CE1 3.84Å; H363-Y371 HydrophobicContact CB-CE2 3.8Å; H363-Y371 HydrophobicContact CB-CG 4.01Å; R364-Y371 HydrophobicContact CG-CD1 4.4Å; R364-Y371 HydrophobicContact CG-CE1 4.27Å; L367-Y371 HydrophobicContact CD1-CD2 4.33Å; L367-Y371 HydrophobicContact CD1-CG 4.48Å; G368-Y371 WeakPolarHBondContact O-CB 3.29Å; G368-Y371 PolarHBondContact O-N 3.02Å; G368-Y371 VanDerWaalsContact O-N 3.13Å; Y371-Q373 PolarHBondContact O-N 2.88Å; Y371-I374 WeakPolarHBondContact O-CB 3.49Å; Y371-I374 WeakPolarHBondContact O-CG1 3.22Å; Y371-I374 PolarHBondContact O-N 3Å; Y371-N377 WeakPolarHBondContact O-CB 3.26Å; Y371-N377 PolarHBondContact O-ND2 2.84Å; Y371-N377 VanDerWaalsContact O-ND2 3.09Å
372	L	98.8	Very high	98.6	Very high	72 Å²	72	52.8 Å²	52.8	38%	0.377	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-69.6	-16	175.4	-67.6	175.9	0	0	0	113.3	N370 C378	N370-L372 PolarHBondContact O-N 3.34Å; L372-C378 VanDerWaalsContact O-CA 3.29Å; L372-C378 WeakPolarHBondContact O-CA 3.34Å; L372-C378 PolarHBondContact O-N 3.06Å
373	Q	98.8	Very high	98.6	Very high	55 Å²	55	61.5 Å²	61.5	26%	0.257	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-84.3	-12.5	174.8	-56.6	-175.2	18.4	0	0	112.5	N370 Y371 M395	N370-Q373 HydrophobicContact CB-CG 4.21Å; N370-Q373 WeakPolarHBondContact O-CB 3.41Å; N370-Q373 PolarHBondContact O-N 2.92Å; N370-Q373 PolarHBondContact OD1-NE2 3.18Å; N370-Q373 VanDerWaalsContact OD1-NE2 3.15Å; Y371-Q373 PolarHBondContact O-N 2.88Å; Q373-M395 HydrophobicContact CB-CB 4.45Å
374	I	98.8	Very high	98.6	Very high	27 Å²	27	65.1 Å²	65.1	14%	0.138	33%	0.329	C	S	.	.	S	Bend	trans	-62.4	133.1	172.7	-61.5	169.9	0	0	0	108.1	Q332 L367 Y371 V376 N377 C378	Q332-I374 HydrophobicContact CB-CD1 4.42Å; Q332-I374 HydrophobicContact CB-CG2 4.26Å; L367-I374 HydrophobicContact CB-CD1 4.19Å; L367-I374 HydrophobicContact CD1-CD1 4.35Å; Y371-I374 WeakPolarHBondContact O-CB 3.49Å; Y371-I374 WeakPolarHBondContact O-CG1 3.22Å; Y371-I374 PolarHBondContact O-N 3Å; I374-V376 VanDerWaalsContact C-N 3.29Å; I374-V376 HydrophobicContact CG2-CG1 4.29Å; I374-V376 PolarHBondContact O-N 3.28Å; I374-V376 VanDerWaalsContact O-N 3.07Å; I374-N377 WeakPolarHBondContact O-CA 3.43Å; I374-N377 PolarHBondContact O-N 3.18Å; I374-C378 PolarHBondContact O-N 2.92Å
375	P	98.8	Very high	98.6	Very high	112 Å²	112	60.6 Å²	60.6	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.6	-168.8	-32.3	35.9	0	0	0	115.5	N377 C378	P375-N377 VanDerWaalsContact C-N 3.28Å; P375-N377 PolarHBondContact O-N 3.36Å; P375-C378 PolarHBondContact O-N 2.91Å
376	V	98.7	Very high	98.6	Very high	12 Å²	12	55.8 Å²	55.8	7%	0.073	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.9	-179.5	74.5	0	0	0	0	113.3	F82 Y137 L333 I374	F82-V376 HydrophobicContact CE1-CG2 3.74Å; F82-V376 HydrophobicContact CZ-CG2 3.79Å; Y137-V376 WeakPolarHBondContact CE1-O 3.32Å; Y137-V376 PolarHBondContact OH-O 3.15Å; L333-V376 HydrophobicContact CB-CG1 4.4Å; L333-V376 HydrophobicContact CD1-CG2 4.38Å; L333-V376 HydrophobicContact CG-CG1 4.21Å; L333-V376 HydrophobicContact CG-CG2 3.91Å; I374-V376 VanDerWaalsContact C-N 3.29Å; I374-V376 HydrophobicContact CG2-CG1 4.29Å; I374-V376 PolarHBondContact O-N 3.28Å; I374-V376 VanDerWaalsContact O-N 3.07Å
377	N	98.8	Very high	98.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-19	179.8	-60.5	-32.8	0	0	0	112.6	N142 Q332 A334 Y371 I374 P375	N142-N377 PolarHBondContact ND2-O 3.02Å; Q332-N377 PolarHBondContact O-ND2 3.43Å; A334-N377 PolarHBondContact N-OD1 2.97Å; Y371-N377 WeakPolarHBondContact O-CB 3.26Å; Y371-N377 PolarHBondContact O-ND2 2.84Å; Y371-N377 VanDerWaalsContact O-ND2 3.09Å; I374-N377 WeakPolarHBondContact O-CA 3.43Å; I374-N377 PolarHBondContact O-N 3.18Å; P375-N377 VanDerWaalsContact C-N 3.28Å; P375-N377 PolarHBondContact O-N 3.36Å
378	C	98.4	Very high	98.6	Very high	44 Å²	44	63.5 Å²	63.5	30%	0.297	33%	0.332	S	S	.	.	S	Bend	trans	-60.3	130.2	180	-178.3	0	0	0	0	110.8	L372 I374 P375 F380	L372-C378 VanDerWaalsContact O-CA 3.29Å; L372-C378 WeakPolarHBondContact O-CA 3.34Å; L372-C378 PolarHBondContact O-N 3.06Å; I374-C378 PolarHBondContact O-N 2.92Å; P375-C378 PolarHBondContact O-N 2.91Å; C378-F380 PolarHBondContact O-N 2.62Å
379	P	98.4	Very high	98.6	Very high	22 Å²	22	64.8 Å²	64.8	14%	0.143	33%	0.33	C	S	.	.			trans	-76.2	63.9	172.7	34.4	-36.6	0	0	0	110.4	N142 R381 A382 V384	N142-P379 WeakPolarHBondContact OD1-CA 3.49Å; P379-R381 PolarHBondContact O-N 3.02Å; P379-A382 HydrophobicContact CB-CB 4.49Å; P379-A382 PolarHBondContact O-N 3Å; P379-A382 VanDerWaalsContact O-O 3.04Å; P379-V384 HydrophobicContact CG-CG2 3.49Å; P379-V384 VanDerWaalsContact CG-CG2 3.49Å
380	F	98.3	Very high	98.6	Very high	118 Å²	118	67 Å²	67	52%	0.518	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.9	-170	69.3	-94.1	0	0	0	114.8	P108 Y137 C378	P108-F380 HydrophobicContact CB-CZ 4.26Å; P108-F380 HydrophobicContact CG-CZ 4.42Å; Y137-F380 AromaticContact CD1-CD1 3.56Å; Y137-F380 HydrophobicContact CD1-CD1 3.56Å; Y137-F380 AromaticContact CD1-CE1 3.26Å; Y137-F380 HydrophobicContact CD1-CE1 3.26Å; Y137-F380 HydrophobicContact CD1-CZ 4.24Å; Y137-F380 AromaticContact CD2-CE1 3.71Å; Y137-F380 HydrophobicContact CD2-CE1 3.71Å; Y137-F380 HydrophobicContact CD2-CZ 4.14Å; Y137-F380 AromaticContact CE1-CD1 3.89Å; Y137-F380 HydrophobicContact CE1-CD1 3.89Å; Y137-F380 AromaticContact CE1-CE1 3.63Å; Y137-F380 HydrophobicContact CE1-CE1 3.63Å; Y137-F380 HydrophobicContact CE2-CE1 4.04Å; Y137-F380 HydrophobicContact CG-CD1 4.04Å; Y137-F380 AromaticContact CG-CE1 3.3Å; Y137-F380 HydrophobicContact CG-CE1 3.3Å; Y137-F380 AromaticContact CG-CZ 3.85Å; Y137-F380 HydrophobicContact CG-CZ 3.85Å; C378-F380 PolarHBondContact O-N 2.62Å
381	R	98.3	Very high	98.5	Very high	131 Å²	131	67.2 Å²	67.2	49%	0.494	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.1	174.8	-68.7	-75.3	-73.9	168.1	-3.2	113.5	Y137 T138 E139 P379	Y137-R381 WeakPolarHBondContact O-CG 3.39Å; T138-R381 WeakPolarHBondContact O-CB 3.41Å; E139-R381 WeakPolarHBondContact CA-O 3.46Å; P379-R381 PolarHBondContact O-N 3.02Å
382	A	98.2	Very high	98.5	Very high	29 Å²	29	70.9 Å²	70.9	24%	0.24	37%	0.37	C	S	.	.	S	Bend	trans	-120.3	160.6	177.9	0	0	0	0	0	110.8	P379	P379-A382 HydrophobicContact CB-CB 4.49Å; P379-A382 PolarHBondContact O-N 3Å; P379-A382 VanDerWaalsContact O-O 3.04Å
383	R	97.9	Very high	98.5	Very high	219 Å²	219	74.7 Å²	74.7	83%	0.826	39%	0.388	S	S	*	.			trans	-93.9	112.5	172.9	-169.2	-180	81.1	-123.7	5.8	109.8	A385	R383-A385 PolarHBondContact O-N 3.25Å
384	V	98.4	Very high	98.5	Very high	85 Å²	85	74.2 Å²	74.2	52%	0.515	39%	0.39	S	S	.	.			trans	-76.2	117.1	169.8	-176.4	0	0	0	0	108.6	P379	P379-V384 HydrophobicContact CG-CG2 3.49Å; P379-V384 VanDerWaalsContact CG-CG2 3.49Å
385	A	98.5	Very high	98.4	Very high	37 Å²	37	79.2 Å²	79.2	31%	0.306	41%	0.414	S	S	.	.			trans	-147.8	110.7	177.3	0	0	0	0	0	109	R383 P413	R383-A385 PolarHBondContact O-N 3.25Å; A385-P413 HydrophobicContact CB-CB 4.35Å; A385-P413 HydrophobicContact CB-CG 3.8Å
386	N	98.6	Very high	98.2	Very high	44 Å²	44	77.1 Å²	77.1	24%	0.235	40%	0.402	C	S	.	.	S	Bend	trans	-157.8	-165.5	-172	64.8	34.5	0	0	0	111.6	Q388 R389 Q399	N386-Q388 PolarHBondContact OD1-N 3.45Å; N386-R389 PolarHBondContact O-NH1 3.37Å; N386-Q399 PolarHBondContact O-OE1 2.8Å; N386-Q399 PolarHBondContact OD1-NE2 2.9Å
387	Y	98.8	Very high	98.2	Very high	58 Å²	58	82.5 Å²	82.5	23%	0.227	43%	0.43	C	S	.	.	S	Bend	trans	-107.6	8.5	-175.9	-62	-78.8	0	0	0	113.7	P403 N404 Y405 Y406 N408 A412 P413	Y387-P403 WeakPolarHBondContact CD1-O 3.29Å; Y387-P403 WeakPolarHBondContact CE1-O 3.36Å; Y387-N404 VanDerWaalsContact CD1-C 3.45Å; Y387-Y405 WeakPolarHBondContact CE1-O 3.32Å; Y387-Y406 HydrophobicContact CD2-CG 4.44Å; Y387-Y406 AromaticContact CE2-CD2 3.65Å; Y387-Y406 HydrophobicContact CE2-CD2 3.65Å; Y387-Y406 AromaticContact CE2-CG 3.84Å; Y387-Y406 HydrophobicContact CE2-CG 3.84Å; Y387-Y406 AromaticContact CZ-CD2 3.67Å; Y387-Y406 WeakPolarHBondContact OH-CD2 3.13Å; Y387-N408 PolarHBondContact OH-ND2 3.39Å; Y387-A412 HydrophobicContact CE1-CB 4.02Å; Y387-A412 WeakPolarHBondContact OH-CB 3.37Å; Y387-P413 WeakPolarHBondContact CE2-O 3.44Å; Y387-P413 PolarHBondContact OH-O 2.94Å
388	Q	98.8	Very high	98.2	Very high	144 Å²	144	84.3 Å²	84.3	67%	0.673	44%	0.44	S	S	*	.			trans	-79.4	141.2	173.8	-62	177.7	6.4	0	0	109.8	N386 Q399	N386-Q388 PolarHBondContact OD1-N 3.45Å; Q388-Q399 PolarHBondContact O-NE2 3.09Å
389	R	98.6	Very high	98.2	Very high	50 Å²	50	84.6 Å²	84.6	19%	0.189	44%	0.437	C	S	.	.			trans	-144.1	162	-178	-65.1	-64	-176.4	-76.9	-4.3	111.2	N386 N398 Q399 A402 P403 N404	N386-R389 PolarHBondContact O-NH1 3.37Å; R389-N398 WeakPolarHBondContact CA-OD1 2.97Å; R389-N398 WeakPolarHBondContact CD-O 3.32Å; R389-N398 PolarHBondContact NE-O 3.04Å; R389-Q399 VanDerWaalsContact NH1-NE2 3.1Å; R389-A402 PolarHBondContact NH2-O 2.8Å; R389-P403 PolarHBondContact NH2-O 3.45Å; R389-N404 HydrophobicContact CG-CB 4.05Å
390	D	98.6	Very high	98.2	Very high	102 Å²	102	85.9 Å²	85.9	55%	0.545	45%	0.454	S	S	.	.			trans	66.1	-139.6	165.5	-48.5	-25.9	0	0	0	113	N370 N398	N370-D390 PolarHBondContact ND2-O 3.39Å; D390-N398 PolarHBondContact N-ND2 3.04Å; D390-N398 PolarHBondContact N-OD1 2.85Å; D390-N398 PolarHBondContact OD1-ND2 3.38Å
391	G	98.3	Very high	98.2	Very high	41 Å²	41	84.4 Å²	84.4	42%	0.423	47%	0.473	S	S	.	.			trans	79.3	159.8	-174.4	0	0	0	0	0	113.8	N370	N370-G391 PolarHBondContact ND2-O 2.8Å
392	P	98.6	Very high	98.2	Very high	87 Å²	87	80.1 Å²	80.1	57%	0.565	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	145.8	178.6	26.3	-35.8	0	0	0	111.5	A369 N370 C394	A369-P392 HydrophobicContact CB-CG 4.06Å; N370-P392 PolarHBondContact ND2-O 2.81Å; P392-C394 VanDerWaalsContact C-N 3.33Å; P392-C394 PolarHBondContact O-N 2.62Å
393	M	98.2	Very high	98.2	Very high	152 Å²	152	80.3 Å²	80.3	75%	0.749	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	47.3	-179.7	-58.6	-60.3	-67.6	0	0	112.9	M395	M393-M395 HydrophobicContact CB-SD 4.44Å; M393-M395 HydrophobicContact CE-SD 4.03Å; M393-M395 WeakPolarHBondContact O-CG 3.47Å; M393-M395 PolarHBondContact O-N 2.99Å; M393-M395 VanDerWaalsContact O-N 3.13Å
394	C	98.5	Very high	98.2	Very high	45 Å²	45	74.7 Å²	74.7	30%	0.304	45%	0.45	S	S	.	.			trans	-65.9	108.8	168.1	-179.3	0	0	0	0	109	P392	P392-C394 VanDerWaalsContact C-N 3.33Å; P392-C394 PolarHBondContact O-N 2.62Å
395	M	96.8	Very high	98.2	Very high	132 Å²	132	76.1 Å²	76.1	65%	0.65	45%	0.447	S	S	*	.			trans	-93.8	-24.6	-169.6	-61.9	-57.1	-68.4	0	0	113.5	Q373 M393	Q373-M395 HydrophobicContact CB-CB 4.45Å; M393-M395 HydrophobicContact CB-SD 4.44Å; M393-M395 HydrophobicContact CE-SD 4.03Å; M393-M395 WeakPolarHBondContact O-CG 3.47Å; M393-M395 PolarHBondContact O-N 2.99Å; M393-M395 VanDerWaalsContact O-N 3.13Å
396	S	95.3	Very high	98.2	Very high	68 Å²	68	79.2 Å²	79.2	48%	0.476	45%	0.452	S	S	.	.	S	Bend	trans	-91.5	-174.2	176.8	69.4	0	0	0	0	111.8	N398	S396-N398 PolarHBondContact O-N 2.82Å; S396-N398 PolarHBondContact OG-N 2.93Å
397	D	97.8	Very high	98.2	Very high	124 Å²	124	82 Å²	82	66%	0.663	47%	0.472	S	S	*	.			trans	-69.4	9.6	172.2	71.3	-17.9	0	0	0	114.1	Q399 G400	D397-Q399 PolarHBondContact O-N 3.07Å; D397-Q399 VanDerWaalsContact O-N 3.13Å; D397-Q399 PolarHBondContact OD1-N 3.24Å; D397-Q399 VanDerWaalsContact OD1-N 3.09Å; D397-G400 PolarHBondContact O-N 2.9Å
398	N	98.3	Very high	98.2	Very high	39 Å²	39	80.1 Å²	80.1	21%	0.209	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	28.9	-177.6	-162.3	21.1	0	0	0	113.5	R389 D390 S396 G400	R389-N398 WeakPolarHBondContact CA-OD1 2.97Å; R389-N398 WeakPolarHBondContact CD-O 3.32Å; R389-N398 PolarHBondContact NE-O 3.04Å; D390-N398 PolarHBondContact N-ND2 3.04Å; D390-N398 PolarHBondContact N-OD1 2.85Å; D390-N398 PolarHBondContact OD1-ND2 3.38Å; S396-N398 PolarHBondContact O-N 2.82Å; S396-N398 PolarHBondContact OG-N 2.93Å; N398-G400 PolarHBondContact O-N 3.15Å
399	Q	98.4	Very high	98.1	Very high	50 Å²	50	78.9 Å²	78.9	23%	0.234	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	18.8	-173.7	-52	177.3	69.3	0	0	114.2	N386 Q388 R389 D397 A402	N386-Q399 PolarHBondContact O-OE1 2.8Å; N386-Q399 PolarHBondContact OD1-NE2 2.9Å; Q388-Q399 PolarHBondContact O-NE2 3.09Å; R389-Q399 VanDerWaalsContact NH1-NE2 3.1Å; D397-Q399 PolarHBondContact O-N 3.07Å; D397-Q399 VanDerWaalsContact O-N 3.13Å; D397-Q399 PolarHBondContact OD1-N 3.24Å; D397-Q399 VanDerWaalsContact OD1-N 3.09Å; Q399-A402 WeakPolarHBondContact O-CB 3.35Å; Q399-A402 PolarHBondContact O-N 2.79Å
400	G	98.4	Very high	98.1	Very high	48 Å²	48	83.2 Å²	83.2	50%	0.495	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-141.4	172.3	0	0	0	0	0	114.4	D397 N398 A402	D397-G400 PolarHBondContact O-N 2.9Å; N398-G400 PolarHBondContact O-N 3.15Å; G400-A402 PolarHBondContact O-N 3.22Å
401	G	98.3	Very high	98.1	Very high	88 Å²	88	84.1 Å²	84.1	91%	0.907	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	14.7	180	0	0	0	0	0	115.2
402	A	98.6	Very high	98.1	Very high	40 Å²	40	82.6 Å²	82.6	33%	0.331	49%	0.491	S	S	.	.			trans	-67.4	139.3	-178.8	0	0	0	0	0	111.5	R389 Q399 G400 N404	R389-A402 PolarHBondContact NH2-O 2.8Å; Q399-A402 WeakPolarHBondContact O-CB 3.35Å; Q399-A402 PolarHBondContact O-N 2.79Å; G400-A402 PolarHBondContact O-N 3.22Å; A402-N404 PolarHBondContact O-N 3.13Å
403	P	98.6	Very high	98.1	Very high	34 Å²	34	80.3 Å²	80.3	22%	0.221	48%	0.477	C	S	.	.			trans	-50.6	134.1	176.7	-25.2	31.1	0	0	0	112.5	Y387 R389 Y405 F410 A412	Y387-P403 WeakPolarHBondContact CD1-O 3.29Å; Y387-P403 WeakPolarHBondContact CE1-O 3.36Å; R389-P403 PolarHBondContact NH2-O 3.45Å; P403-Y405 HydrophobicContact CB-CE1 4.5Å; P403-F410 HydrophobicContact CB-CB 4.47Å; P403-F410 HydrophobicContact CG-CB 3.55Å; P403-F410 HydrophobicContact CG-CG 4.43Å; P403-A412 HydrophobicContact CB-CB 3.88Å; P403-A412 HydrophobicContact CG-CB 3.92Å
404	N	98.4	Very high	98.1	Very high	100 Å²	100	78.5 Å²	78.5	54%	0.535	47%	0.466	S	S	.	.			trans	-105.1	13.1	-172	67.6	-8.9	0	0	0	114	Y387 R389 A402	Y387-N404 VanDerWaalsContact CD1-C 3.45Å; R389-N404 HydrophobicContact CG-CB 4.05Å; A402-N404 PolarHBondContact O-N 3.13Å
405	Y	98.5	Very high	98	Very high	116 Å²	116	81 Å²	81	46%	0.455	48%	0.481	S	S	.	.	S	Bend	trans	-128.9	152.6	176.3	66.8	-86	0	0	0	112.3	Y387 P403 P407 N408 F410	Y387-Y405 WeakPolarHBondContact CE1-O 3.32Å; P403-Y405 HydrophobicContact CB-CE1 4.5Å; Y405-P407 VanDerWaalsContact CD2-O 3.27Å; Y405-P407 WeakPolarHBondContact CD2-O 3.32Å; Y405-P407 WeakPolarHBondContact CE2-O 3.46Å; Y405-N408 HydrophobicContact CD2-CB 3.97Å; Y405-N408 HydrophobicContact CE2-CB 3.45Å; Y405-N408 VanDerWaalsContact CE2-CB 3.45Å; Y405-N408 PolarHBondContact O-ND2 3.24Å; Y405-F410 VanDerWaalsContact OH-CD2 3.31Å; Y405-F410 WeakPolarHBondContact OH-CD2 3.25Å; Y405-F410 WeakPolarHBondContact OH-CE2 3.46Å
406	Y	98.1	Very high	97.9	Very high	102 Å²	102	79.3 Å²	79.3	40%	0.4	47%	0.471	S	S	.	.	S	Bend	trans	-135	136.9	179.3	-173.6	-101.3	0	0	0	111.2	Y387 T415	Y387-Y406 HydrophobicContact CD2-CG 4.44Å; Y387-Y406 AromaticContact CE2-CD2 3.65Å; Y387-Y406 HydrophobicContact CE2-CD2 3.65Å; Y387-Y406 AromaticContact CE2-CG 3.84Å; Y387-Y406 HydrophobicContact CE2-CG 3.84Å; Y387-Y406 AromaticContact CZ-CD2 3.67Å; Y387-Y406 WeakPolarHBondContact OH-CD2 3.13Å; Y406-T415 HydrophobicContact CE1-CG2 4.23Å; Y406-T415 PolarHBondContact OH-OG1 2.92Å
407	P	98	Very high	97.9	Very high	101 Å²	101	81.3 Å²	81.3	66%	0.656	48%	0.482	S	S	*	.	S	Bend	cis	-71.9	161.4	-4.7	32.6	-35.9	0	0	0	112.3	Y405	Y405-P407 VanDerWaalsContact CD2-O 3.27Å; Y405-P407 WeakPolarHBondContact CD2-O 3.32Å; Y405-P407 WeakPolarHBondContact CE2-O 3.46Å
408	N	98.5	Very high	97.7	Very high	20 Å²	20	83 Å²	83	11%	0.107	48%	0.479	C	S	.	.			trans	-144.5	159.7	175.5	64.9	83	0	0	0	111.2	Y387 Y405 F410 A412	Y387-N408 PolarHBondContact OH-ND2 3.39Å; Y405-N408 HydrophobicContact CD2-CB 3.97Å; Y405-N408 HydrophobicContact CE2-CB 3.45Å; Y405-N408 VanDerWaalsContact CE2-CB 3.45Å; Y405-N408 PolarHBondContact O-ND2 3.24Å; N408-F410 HydrophobicContact CB-CD2 4.43Å; N408-F410 PolarHBondContact OD1-N 3.47Å; N408-F410 VanDerWaalsContact OD1-N 3.13Å; N408-A412 WeakPolarHBondContact ND2-CB 3.31Å; N408-A412 PolarHBondContact OD1-N 3.05Å
409	S	98.1	Very high	97.5	Very high	118 Å²	118	84.6 Å²	84.6	83%	0.825	48%	0.484	S	S	*	.	S	Bend	trans	-99.6	18.6	178.9	-52.1	0	0	0	0	113.2
410	F	98.3	Very high	97.4	Very high	140 Å²	140	86 Å²	86	61%	0.614	50%	0.496	S	S	*	.	S	Bend	trans	-117.4	23.5	-169.6	-63.6	-84.3	0	0	0	112.5	P403 Y405 N408 A412	P403-F410 HydrophobicContact CB-CB 4.47Å; P403-F410 HydrophobicContact CG-CB 3.55Å; P403-F410 HydrophobicContact CG-CG 4.43Å; Y405-F410 VanDerWaalsContact OH-CD2 3.31Å; Y405-F410 WeakPolarHBondContact OH-CD2 3.25Å; Y405-F410 WeakPolarHBondContact OH-CE2 3.46Å; N408-F410 HydrophobicContact CB-CD2 4.43Å; N408-F410 PolarHBondContact OD1-N 3.47Å; N408-F410 VanDerWaalsContact OD1-N 3.13Å; F410-A412 VanDerWaalsContact C-N 3.25Å; F410-A412 PolarHBondContact O-N 2.98Å
411	S	98.1	Very high	97.4	Very high	121 Å²	121	90.3 Å²	90.3	85%	0.846	50%	0.503	S	S	*	.			trans	60	25.6	174.4	-52.5	0	0	0	0	115.5
412	A	98.4	Very high	97.3	Very high	9 Å²	9	87.1 Å²	87.1	7%	0.074	47%	0.467	C	S	.	.			trans	-73.2	171.6	172.5	0	0	0	0	0	111.3	Y387 P403 N408 F410 Q414	Y387-A412 HydrophobicContact CE1-CB 4.02Å; Y387-A412 WeakPolarHBondContact OH-CB 3.37Å; P403-A412 HydrophobicContact CB-CB 3.88Å; P403-A412 HydrophobicContact CG-CB 3.92Å; N408-A412 WeakPolarHBondContact ND2-CB 3.31Å; N408-A412 PolarHBondContact OD1-N 3.05Å; F410-A412 VanDerWaalsContact C-N 3.25Å; F410-A412 PolarHBondContact O-N 2.98Å; A412-Q414 PolarHBondContact O-N 2.85Å; A412-Q414 PolarHBondContact O-NE2 2.99Å; A412-Q414 VanDerWaalsContact O-NE2 3.13Å
413	P	98.3	Very high	97.1	Very high	40 Å²	40	96.3 Å²	96.3	26%	0.26	49%	0.494	S	S	.	.			trans	-49	136.7	-172.5	-30.3	37	0	0	0	115.1	A385 Y387	A385-P413 HydrophobicContact CB-CB 4.35Å; A385-P413 HydrophobicContact CB-CG 3.8Å; Y387-P413 WeakPolarHBondContact CE2-O 3.44Å; Y387-P413 PolarHBondContact OH-O 2.94Å
414	Q	98.1	Very high	96.7	Very high	113 Å²	113	100.1 Å²	100.1	53%	0.528	51%	0.507	S	S	.	.			trans	-113.2	155.2	-176.8	-63.1	-64.3	-42.1	0	0	111.9	A412	A412-Q414 PolarHBondContact O-N 2.85Å; A412-Q414 PolarHBondContact O-NE2 2.99Å; A412-Q414 VanDerWaalsContact O-NE2 3.13Å
415	T	96.4	Very high	96.2	Very high	99 Å²	99	101.3 Å²	101.3	61%	0.607	52%	0.523	S	S	*	.			trans	-72.7	157.2	171.7	61.4	0	0	0	0	111.2	Y406	Y406-T415 HydrophobicContact CE1-CG2 4.23Å; Y406-T415 PolarHBondContact OH-OG1 2.92Å
416	Q	95.7	Very high	95.9	Very high	95 Å²	95	101.1 Å²	101.1	44%	0.444	53%	0.534	S	S	.	.			trans	-123.5	112	176.2	-68.6	-175.1	48.6	0	0	110	R418 F419	Q416-R418 HydrophobicContact CB-CG 4.34Å; Q416-R418 PolarHBondContact O-N 2.72Å; Q416-R418 VanDerWaalsContact O-N 3.08Å; Q416-R418 VanDerWaalsContact OE1-CZ 3.3Å; Q416-F419 HydrophobicContact CB-CD2 3.63Å; Q416-F419 HydrophobicContact CB-CE2 3.98Å; Q416-F419 HydrophobicContact CG-CD2 4.4Å; Q416-F419 HydrophobicContact CG-CE2 4.34Å; Q416-F419 PolarHBondContact O-N 2.95Å; Q416-F419 VanDerWaalsContact OE1-CE2 3.28Å
417	P	94.9	Very high	95.5	Very high	110 Å²	110	100 Å²	100	71%	0.714	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-57.5	-26.7	-175.3	-29.5	36.1	0	0	0	115.6	F419 V420	P417-F419 PolarHBondContact O-N 2.8Å; P417-V420 WeakPolarHBondContact O-CB 3.37Å; P417-V420 VanDerWaalsContact O-CG2 3.24Å; P417-V420 WeakPolarHBondContact O-CG2 3.35Å; P417-V420 PolarHBondContact O-N 3.15Å
418	R	93.1	Very high	95.1	Very high	161 Å²	161	100.8 Å²	100.8	61%	0.608	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-64.4	-17	177.3	64.3	174.7	176.2	167.4	-2.1	114.7	K96 Q416	K96-R418 PolarHBondContact NZ-O 3.16Å; Q416-R418 HydrophobicContact CB-CG 4.34Å; Q416-R418 PolarHBondContact O-N 2.72Å; Q416-R418 VanDerWaalsContact O-N 3.08Å; Q416-R418 VanDerWaalsContact OE1-CZ 3.3Å
419	F	94.7	Very high	95	Very high	71 Å²	71	105.3 Å²	105.3	31%	0.311	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-99.5	6.5	179.6	-59.2	-43.6	0	0	0	113.3	P342 Q416 P417	P342-F419 HydrophobicContact CB-CD1 3.8Å; P342-F419 HydrophobicContact CB-CE1 4.33Å; P342-F419 HydrophobicContact CG-CB 4.29Å; P342-F419 HydrophobicContact CG-CD1 3.49Å; P342-F419 VanDerWaalsContact CG-CD1 3.49Å; P342-F419 HydrophobicContact CG-CE1 3.98Å; P342-F419 HydrophobicContact CG-CG 4.03Å; Q416-F419 HydrophobicContact CB-CD2 3.63Å; Q416-F419 HydrophobicContact CB-CE2 3.98Å; Q416-F419 HydrophobicContact CG-CD2 4.4Å; Q416-F419 HydrophobicContact CG-CE2 4.34Å; Q416-F419 PolarHBondContact O-N 2.95Å; Q416-F419 VanDerWaalsContact OE1-CE2 3.28Å; P417-F419 PolarHBondContact O-N 2.8Å
420	V	96.4	Very high	94.9	Very high	80 Å²	80	106.7 Å²	106.7	49%	0.485	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-60.3	140.1	172	173	0	0	0	0	109.9	P417	P417-V420 WeakPolarHBondContact O-CB 3.37Å; P417-V420 VanDerWaalsContact O-CG2 3.24Å; P417-V420 WeakPolarHBondContact O-CG2 3.35Å; P417-V420 PolarHBondContact O-N 3.15Å
421	E	97	Very high	94.8	Very high	138 Å²	138	103 Å²	103	65%	0.645	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-65.5	154.2	-179.5	-56.9	85.2	168.3	0	0	111.7
422	S	96.3	Very high	94.7	Very high	21 Å²	21	108 Å²	108	15%	0.147	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-67	139.8	175.2	69.5	0	0	0	0	112.2	K221 C229 E345	K221-S422 VanDerWaalsContact CE-OG 3.28Å; K221-S422 WeakPolarHBondContact CE-OG 3.22Å; K221-S422 PolarHBondContact NZ-OG 3.47Å; C229-S422 WeakPolarHBondContact SG-CB 3.12Å; E345-S422 PolarHBondContact OE1-N 3.44Å; E345-S422 PolarHBondContact OE1-OG 2.93Å; E345-S422 PolarHBondContact OE2-N 3.46Å; E345-S422 PolarHBondContact OE2-OG 3.34Å
423	R	94.3	Very high	94.5	Very high	234 Å²	234	113.8 Å²	113.8	88%	0.883	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-88.9	142.2	176.4	-62	179.9	-177.2	176.2	-0	110.2
424	F	90.1	Very high	94.3	Very high	113 Å²	113	116.8 Å²	116.8	50%	0.496	60%	0.604	S	S	.	*			trans	-143	152.2	171.7	60	-82	0	0	0	109.6	V426	F424-V426 HydrophobicContact CD2-CG1 3.74Å; F424-V426 HydrophobicContact CE2-CG1 3.47Å; F424-V426 VanDerWaalsContact CE2-CG1 3.47Å
425	S	89.9	Confident	93.7	Very high	125 Å²	125	112 Å²	112	87%	0.874	58%	0.583	S	S	*	*			trans	-82.2	145.6	178.2	-61.4	0	0	0	0	110.6
426	V	91.1	Very high	92.8	Very high	113 Å²	113	111 Å²	111	69%	0.685	57%	0.571	S	S	*	*			trans	-131.9	156.6	176.8	-62.6	0	0	0	0	109.9	F424	F424-V426 HydrophobicContact CD2-CG1 3.74Å; F424-V426 HydrophobicContact CE2-CG1 3.47Å; F424-V426 VanDerWaalsContact CE2-CG1 3.47Å
427	S	88.9	Confident	92.2	Very high	77 Å²	77	113.4 Å²	113.4	54%	0.538	59%	0.587	S	S	.	*			trans	-63.5	145	170.3	-176.2	0	0	0	0	110.8	D429	S427-D429 VanDerWaalsContact C-N 3.32Å
428	P	91.1	Very high	92.1	Very high	119 Å²	119	111 Å²	111	77%	0.773	57%	0.566	S	S	*	*	S	Bend	trans	-71.9	-23	177.3	29.5	-36.3	0	0	0	113.7
429	D	95.3	Very high	92.3	Very high	114 Å²	114	105.7 Å²	105.7	61%	0.61	55%	0.55	S	S	*	*			trans	-75.1	128.5	-178.4	-67.2	-51.2	0	0	0	111.5	S427 Y433	S427-D429 VanDerWaalsContact C-N 3.32Å; D429-Y433 VanDerWaalsContact CB-OH 3.24Å; D429-Y433 WeakPolarHBondContact CB-OH 3.32Å; D429-Y433 PolarHBondContact O-OH 2.85Å
430	V	96.3	Very high	92.4	Very high	147 Å²	147	103.6 Å²	103.6	89%	0.891	54%	0.542	S	S	*	.			trans	-115.8	107.5	177.7	-178.1	0	0	0	0	108.8
431	A	95.9	Very high	92.5	Very high	64 Å²	64	101.2 Å²	101.2	53%	0.529	53%	0.528	S	S	.	.			trans	-146.3	171.7	-178.4	0	0	0	0	0	112.3	Y433	A431-Y433 HydrophobicContact CB-CD2 4.46Å; A431-Y433 HydrophobicContact CB-CE1 4.26Å; A431-Y433 HydrophobicContact CB-CE2 3.96Å; A431-Y433 WeakPolarHBondContact O-CD2 3.48Å; A431-Y433 PolarHBondContact O-N 3.36Å
432	R	96.4	Very high	92.6	Very high	226 Å²	226	97.3 Å²	97.3	85%	0.853	51%	0.513	S	S	*	.			trans	-86.7	90.1	169.4	-64.7	-179.9	-175.6	-86.8	-0.4	109.1	N434	R432-N434 PolarHBondContact O-N 2.96Å
433	Y	95.1	Very high	92.7	Very high	130 Å²	130	97.4 Å²	97.4	51%	0.51	51%	0.511	S	S	.	.			trans	-77	119	178	-61.6	-78.7	0	0	0	111	K350 D429 A431	K350-Y433 PolarHBondContact NZ-O 2.59Å; D429-Y433 VanDerWaalsContact CB-OH 3.24Å; D429-Y433 WeakPolarHBondContact CB-OH 3.32Å; D429-Y433 PolarHBondContact O-OH 2.85Å; A431-Y433 HydrophobicContact CB-CD2 4.46Å; A431-Y433 HydrophobicContact CB-CE1 4.26Å; A431-Y433 HydrophobicContact CB-CE2 3.96Å; A431-Y433 WeakPolarHBondContact O-CD2 3.48Å; A431-Y433 PolarHBondContact O-N 3.36Å
434	N	92.6	Very high	92.9	Very high	103 Å²	103	86.3 Å²	86.3	55%	0.551	47%	0.47	S	S	*	.			trans	-61.8	136.1	174.7	-172.9	28.7	0	0	0	110.1	R432 E436 D437	R432-N434 PolarHBondContact O-N 2.96Å; N434-E436 VanDerWaalsContact OD1-CB 3.28Å; N434-E436 WeakPolarHBondContact OD1-CB 3.46Å; N434-E436 PolarHBondContact OD1-N 2.71Å; N434-E436 VanDerWaalsContact OD1-N 3.09Å; N434-D437 PolarHBondContact ND2-OD2 3.47Å; N434-D437 VanDerWaalsContact ND2-OD2 3.08Å
435	S	86.9	Confident	93.3	Very high	13 Å²	13	85.5 Å²	85.5	9%	0.091	46%	0.464	C	S	.	.			trans	-122.9	12.9	174.5	59.8	0	0	0	0	112.1	R156 D437 E438	R156-S435 PolarHBondContact NH1-O 3.04Å; S435-D437 VanDerWaalsContact C-N 3.34Å; S435-E438 PolarHBondContact O-N 2.75Å
436	E	77.1	Confident	93.7	Very high	77 Å²	77	81 Å²	81	36%	0.36	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-35.2	177.8	-173.3	166.6	169.9	0	0	112.2	R189 N434 E438 N440	R189-E436 IonicContact CZ-OE2 2.73Å; R189-E436 IonicContact NH1-OE1 3.1Å; R189-E436 PolarHBondContact NH1-OE1 2.96Å; R189-E436 IonicContact NH1-OE2 3.88Å; R189-E436 PolarHBondContact NH1-OE2 3.36Å; R189-E436 IonicContact NH2-OE2 2.72Å; N434-E436 VanDerWaalsContact OD1-CB 3.28Å; N434-E436 WeakPolarHBondContact OD1-CB 3.46Å; N434-E436 PolarHBondContact OD1-N 2.71Å; N434-E436 VanDerWaalsContact OD1-N 3.09Å; E436-E438 VanDerWaalsContact C-N 3.25Å; E436-E438 PolarHBondContact O-N 3.05Å; E436-N440 PolarHBondContact O-ND2 2.89Å
437	D	82.8	Confident	94.1	Very high	146 Å²	146	76.8 Å²	76.8	78%	0.781	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.8	180	-54.5	-52.6	0	0	0	113.7	N434 S435	N434-D437 PolarHBondContact ND2-OD2 3.47Å; N434-D437 VanDerWaalsContact ND2-OD2 3.08Å; S435-D437 VanDerWaalsContact C-N 3.34Å
438	E	92.8	Very high	94.5	Very high	59 Å²	59	73.3 Å²	73.3	28%	0.276	38%	0.381	S	S	.	.	S	Bend	trans	-66.7	153	172.5	-62.9	-171.5	179.8	0	0	110.9	R156 N296 S435 E436 N440	R156-E438 IonicContact NE-OE2 3.7Å; N296-E438 PolarHBondContact ND2-OE1 3.45Å; S435-E438 PolarHBondContact O-N 2.75Å; E436-E438 VanDerWaalsContact C-N 3.25Å; E436-E438 PolarHBondContact O-N 3.05Å; E438-N440 VanDerWaalsContact O-CG 3.24Å; E438-N440 PolarHBondContact O-N 3.3Å; E438-N440 PolarHBondContact O-ND2 2.84Å; E438-N440 PolarHBondContact O-OD1 3.26Å
439	D	97.2	Very high	94.9	Very high	50 Å²	50	70.3 Å²	70.3	27%	0.267	36%	0.361	S	S	.	.			trans	-54.4	128.1	-176.3	-180	-81.7	0	0	0	112.5	R156 F295 K302 V441 T442	R156-D439 PolarHBondContact NH2-O 2.95Å; F295-D439 HydrophobicContact CD1-CB 4.18Å; F295-D439 HydrophobicContact CE1-CB 3.94Å; K302-D439 WeakPolarHBondContact CE-O 3.22Å; K302-D439 PolarHBondContact NZ-O 3.02Å; D439-V441 PolarHBondContact OD1-N 3Å; D439-V441 VanDerWaalsContact OD1-N 3.15Å; D439-T442 VanDerWaalsContact OD1-CB 3.26Å; D439-T442 WeakPolarHBondContact OD1-CB 3.45Å; D439-T442 PolarHBondContact OD1-N 2.81Å; D439-T442 PolarHBondContact OD1-OG1 2.68Å; D439-T442 WeakPolarHBondContact OD2-CB 3.37Å; D439-T442 PolarHBondContact OD2-OG1 3.01Å
440	N	98	Very high	95	Very high	27 Å²	27	72.5 Å²	72.5	14%	0.144	37%	0.367	C	S	.	.	S	Bend	trans	-115.1	-0.5	-178.5	-64.3	-39.8	0	0	0	113.4	R156 P190 E191 E436 E438 V444	R156-N440 VanDerWaalsContact CZ-OD1 3.29Å; R156-N440 PolarHBondContact NH1-OD1 2.83Å; R156-N440 PolarHBondContact NH2-OD1 3.12Å; P190-N440 HydrophobicContact CB-CB 4.31Å; E191-N440 VanDerWaalsContact CA-OD1 3.28Å; E191-N440 WeakPolarHBondContact CA-OD1 3.3Å; E191-N440 WeakPolarHBondContact CB-OD1 3.17Å; E436-N440 PolarHBondContact O-ND2 2.89Å; E438-N440 VanDerWaalsContact O-CG 3.24Å; E438-N440 PolarHBondContact O-N 3.3Å; E438-N440 PolarHBondContact O-ND2 2.84Å; E438-N440 PolarHBondContact O-OD1 3.26Å; N440-V444 WeakPolarHBondContact O-CG2 3.29Å
441	V	98.3	Very high	95	Very high	30 Å²	30	70.2 Å²	70.2	18%	0.182	35%	0.354	C	S	.	.	S	Bend	trans	-131.1	-26.8	-165	-63.1	0	0	0	0	114.5	L193 D439 Q443 V444 R445 A485 V486	L193-V441 HydrophobicContact CD1-CG1 4.24Å; D439-V441 PolarHBondContact OD1-N 3Å; D439-V441 VanDerWaalsContact OD1-N 3.15Å; V441-Q443 PolarHBondContact O-N 2.81Å; V441-V444 PolarHBondContact O-N 3.22Å; V441-R445 WeakPolarHBondContact O-CB 3.22Å; V441-R445 PolarHBondContact O-N 3.18Å; V441-A485 HydrophobicContact CG1-CB 4.12Å; V441-V486 HydrophobicContact CB-CG2 4.34Å; V441-V486 HydrophobicContact CG1-CG2 4.04Å
442	T	98.4	Very high	95.1	Very high	56 Å²	56	68 Å²	68	34%	0.344	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-47.7	-168.3	-67.6	0	0	0	0	111.8	F295 D439 R445 A446	F295-T442 HydrophobicContact CE1-CG2 4.45Å; F295-T442 HydrophobicContact CZ-CG2 3.82Å; D439-T442 VanDerWaalsContact OD1-CB 3.26Å; D439-T442 WeakPolarHBondContact OD1-CB 3.45Å; D439-T442 PolarHBondContact OD1-N 2.81Å; D439-T442 PolarHBondContact OD1-OG1 2.68Å; D439-T442 WeakPolarHBondContact OD2-CB 3.37Å; D439-T442 PolarHBondContact OD2-OG1 3.01Å; T442-R445 PolarHBondContact O-N 3.24Å; T442-A446 PolarHBondContact O-N 2.92Å; T442-A446 VanDerWaalsContact O-N 3.14Å
443	Q	98.5	Very high	95.2	Very high	22 Å²	22	60.8 Å²	60.8	10%	0.103	31%	0.311	C	S	.	.	H	α-helix	trans	-72.3	-30	176.7	-66.2	-163.6	-14.6	0	0	112.8	H194 F295 K302 V303 V441 R445 A446 F447	H194-Q443 PolarHBondContact CE1-OE1 3.48Å; F295-Q443 HydrophobicContact CD2-CG 4.43Å; F295-Q443 HydrophobicContact CE2-CG 3.75Å; F295-Q443 HydrophobicContact CZ-CG 4.03Å; K302-Q443 VanDerWaalsContact CA-OE1 3.23Å; K302-Q443 HydrophobicContact CD-CG 4.21Å; V303-Q443 PolarHBondContact O-NE2 3.15Å; V441-Q443 PolarHBondContact O-N 2.81Å; Q443-R445 VanDerWaalsContact C-N 3.33Å; Q443-A446 PolarHBondContact O-N 2.88Å; Q443-F447 PolarHBondContact O-N 3.42Å
444	V	98.6	Very high	95.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-39.9	175.4	-161.5	0	0	0	0	110.6	L193 H194 S197 N440 V441 F447 Y448 V486	L193-V444 HydrophobicContact CB-CG1 4.42Å; L193-V444 HydrophobicContact CB-CG2 4.08Å; H194-V444 HydrophobicContact CB-CG2 3.65Å; S197-V444 WeakPolarHBondContact OG-CG1 3.23Å; N440-V444 WeakPolarHBondContact O-CG2 3.29Å; V441-V444 PolarHBondContact O-N 3.22Å; V444-F447 WeakPolarHBondContact O-CB 3.48Å; V444-F447 PolarHBondContact O-N 3.02Å; V444-Y448 WeakPolarHBondContact O-CB 3.08Å; V444-Y448 PolarHBondContact O-N 2.83Å; V444-V486 HydrophobicContact CB-CG1 3.8Å; V444-V486 HydrophobicContact CB-CG2 4.02Å; V444-V486 HydrophobicContact CG1-CB 4.49Å; V444-V486 HydrophobicContact CG1-CG1 3.71Å; V444-V486 HydrophobicContact CG1-CG2 3.92Å
445	R	98.7	Very high	95.6	Very high	96 Å²	96	58.2 Å²	58.2	36%	0.362	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-46.6	174.2	-174.8	-177.8	-60.5	131.5	5.8	110.5	V441 T442 Q443 F447 Y448 T449 A485 V486	V441-R445 WeakPolarHBondContact O-CB 3.22Å; V441-R445 PolarHBondContact O-N 3.18Å; T442-R445 PolarHBondContact O-N 3.24Å; Q443-R445 VanDerWaalsContact C-N 3.33Å; R445-F447 VanDerWaalsContact C-N 3.33Å; R445-F447 PolarHBondContact O-N 2.87Å; R445-Y448 PolarHBondContact O-N 2.88Å; R445-T449 HydrophobicContact CG-CG2 4.3Å; R445-T449 WeakPolarHBondContact O-CG2 3.32Å; R445-T449 PolarHBondContact O-N 2.79Å; R445-T449 PolarHBondContact O-OG1 3.07Å; R445-A485 PolarHBondContact NH2-O 3.24Å; R445-V486 HydrophobicContact CB-CG1 4.29Å; R445-V486 WeakPolarHBondContact CG-O 3.3Å; R445-V486 PolarHBondContact NE-O 3.48Å; R445-V486 PolarHBondContact NH2-O 2.93Å
446	A	98.4	Very high	96.1	Very high	30 Å²	30	60.1 Å²	60.1	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-41	176.5	0	0	0	0	0	111.9	T442 Q443 Q450 V451	T442-A446 PolarHBondContact O-N 2.92Å; T442-A446 VanDerWaalsContact O-N 3.14Å; Q443-A446 PolarHBondContact O-N 2.88Å; A446-Q450 WeakPolarHBondContact O-CA 3.47Å; A446-Q450 VanDerWaalsContact O-CB 3.25Å; A446-Q450 WeakPolarHBondContact O-CB 3.48Å; A446-Q450 PolarHBondContact O-N 2.93Å; A446-V451 PolarHBondContact O-N 3.4Å
447	F	98.6	Very high	97.2	Very high	24 Å²	24	58.5 Å²	58.5	11%	0.105	30%	0.302	C	S	.	.	I	π-helix	trans	-58.6	-50.1	173.2	177.3	-107.8	0	0	0	111.5	Q443 V444 R445 V451 L452	Q443-F447 PolarHBondContact O-N 3.42Å; V444-F447 WeakPolarHBondContact O-CB 3.48Å; V444-F447 PolarHBondContact O-N 3.02Å; R445-F447 VanDerWaalsContact C-N 3.33Å; R445-F447 PolarHBondContact O-N 2.87Å; F447-V451 HydrophobicContact CD2-CB 3.98Å; F447-V451 HydrophobicContact CD2-CG1 4.03Å; F447-V451 HydrophobicContact CD2-CG2 4.37Å; F447-V451 HydrophobicContact CE2-CG1 4.17Å; F447-V451 WeakPolarHBondContact O-CB 3.06Å; F447-V451 PolarHBondContact O-N 2.87Å; F447-L452 HydrophobicContact CD1-CD1 4.21Å; F447-L452 HydrophobicContact CD1-CG 4.44Å; F447-L452 HydrophobicContact CE1-CD1 3.69Å; F447-L452 HydrophobicContact CE1-CD2 4.25Å; F447-L452 HydrophobicContact CE1-CG 4.05Å; F447-L452 HydrophobicContact CE2-CD2 4Å; F447-L452 HydrophobicContact CE2-CG 4.31Å; F447-L452 HydrophobicContact CZ-CD1 4.02Å; F447-L452 HydrophobicContact CZ-CD2 3.7Å; F447-L452 HydrophobicContact CZ-CG 3.98Å; F447-L452 PolarHBondContact O-N 2.85Å
448	Y	98.6	Very high	97.9	Very high	4 Å²	4	56 Å²	56	2%	0.016	29%	0.286	C	S	.	.	I	π-helix	trans	-65.2	-43.4	-178.6	-173.1	-100.8	0	0	0	113.6	V444 R445 R457 L460 H487 Y490	V444-Y448 WeakPolarHBondContact O-CB 3.08Å; V444-Y448 PolarHBondContact O-N 2.83Å; R445-Y448 PolarHBondContact O-N 2.88Å; Y448-R457 HydrophobicContact CD2-CG 3.92Å; Y448-R457 VanDerWaalsContact CE1-CD 3.5Å; Y448-R457 HydrophobicContact CE1-CG 4.29Å; Y448-R457 HydrophobicContact CE2-CB 3.98Å; Y448-R457 HydrophobicContact CE2-CG 3.61Å; Y448-R457 HydrophobicContact CG-CG 4.39Å; Y448-R457 VanDerWaalsContact CZ-CD 3.42Å; Y448-R457 VanDerWaalsContact O-CD 3.31Å; Y448-R457 WeakPolarHBondContact O-CD 3.46Å; Y448-R457 PolarHBondContact O-NH1 3.42Å; Y448-L460 HydrophobicContact CD2-CD2 3.9Å; Y448-L460 HydrophobicContact CE2-CD2 4.2Å; Y448-H487 HydrophobicContact CD1-CB 4.18Å; Y448-H487 HydrophobicContact CE1-CB 4.47Å; Y448-Y490 AromaticContact CD2-CD1 3.7Å; Y448-Y490 HydrophobicContact CD2-CD1 3.7Å; Y448-Y490 HydrophobicContact CD2-CD2 4.2Å; Y448-Y490 HydrophobicContact CD2-CE1 4.02Å; Y448-Y490 AromaticContact CD2-CG 3.8Å; Y448-Y490 HydrophobicContact CD2-CG 3.8Å; Y448-Y490 HydrophobicContact CE1-CG 4.45Å; Y448-Y490 AromaticContact CE2-CD1 3.96Å; Y448-Y490 HydrophobicContact CE2-CD1 3.96Å; Y448-Y490 AromaticContact CE2-CD2 3.66Å; Y448-Y490 HydrophobicContact CE2-CD2 3.66Å; Y448-Y490 HydrophobicContact CE2-CE1 4.44Å; Y448-Y490 HydrophobicContact CE2-CE2 4.18Å; Y448-Y490 AromaticContact CE2-CG 3.55Å; Y448-Y490 HydrophobicContact CE2-CG 3.55Å; Y448-Y490 HydrophobicContact CG-CD1 4.09Å; Y448-Y490 HydrophobicContact CG-CG 4.36Å; Y448-Y490 AromaticContact CZ-CG 3.91Å
449	T	98	Very high	98.2	Very high	57 Å²	57	57.3 Å²	57.3	35%	0.35	29%	0.288	S	S	.	.	I	π-helix	trans	-94.4	-27.5	-171	61.9	0	0	0	0	114.3	R445	R445-T449 HydrophobicContact CG-CG2 4.3Å; R445-T449 WeakPolarHBondContact O-CG2 3.32Å; R445-T449 PolarHBondContact O-N 2.79Å; R445-T449 PolarHBondContact O-OG1 3.07Å
450	Q	97.4	Very high	98.3	Very high	159 Å²	159	55 Å²	55	74%	0.743	28%	0.275	S	S	*	.	I	π-helix	trans	-115.3	-25.8	-172.3	-51.7	177.6	10.2	0	0	113.6	A446	A446-Q450 WeakPolarHBondContact O-CA 3.47Å; A446-Q450 VanDerWaalsContact O-CB 3.25Å; A446-Q450 WeakPolarHBondContact O-CB 3.48Å; A446-Q450 PolarHBondContact O-N 2.93Å
451	V	97.6	Very high	98.3	Very high	99 Å²	99	53.8 Å²	53.8	60%	0.6	27%	0.269	S	S	*	.	I	π-helix	trans	-96.5	-46.2	-178.4	-178.4	0	0	0	0	111.4	A446 F447	A446-V451 PolarHBondContact O-N 3.4Å; F447-V451 HydrophobicContact CD2-CB 3.98Å; F447-V451 HydrophobicContact CD2-CG1 4.03Å; F447-V451 HydrophobicContact CD2-CG2 4.37Å; F447-V451 HydrophobicContact CE2-CG1 4.17Å; F447-V451 WeakPolarHBondContact O-CB 3.06Å; F447-V451 PolarHBondContact O-N 2.87Å
452	L	98	Very high	98.3	Very high	17 Å²	17	56 Å²	56	9%	0.089	28%	0.277	C	S	.	.	S	Bend	trans	-79.6	143.7	179.8	-61.4	-175.4	0	0	0	111.7	F447 E456 R457 L460	F447-L452 HydrophobicContact CD1-CD1 4.21Å; F447-L452 HydrophobicContact CD1-CG 4.44Å; F447-L452 HydrophobicContact CE1-CD1 3.69Å; F447-L452 HydrophobicContact CE1-CD2 4.25Å; F447-L452 HydrophobicContact CE1-CG 4.05Å; F447-L452 HydrophobicContact CE2-CD2 4Å; F447-L452 HydrophobicContact CE2-CG 4.31Å; F447-L452 HydrophobicContact CZ-CD1 4.02Å; F447-L452 HydrophobicContact CZ-CD2 3.7Å; F447-L452 HydrophobicContact CZ-CG 3.98Å; F447-L452 PolarHBondContact O-N 2.85Å; L452-E456 WeakPolarHBondContact CA-OE2 3.28Å; L452-E456 HydrophobicContact CB-CB 4.13Å; L452-E456 HydrophobicContact CD2-CB 4.08Å; L452-R457 HydrophobicContact CB-CG 3.97Å; L452-R457 HydrophobicContact CD1-CG 4.44Å; L452-R457 PolarHBondContact O-NH1 3.44Å; L452-L460 HydrophobicContact CD1-CD2 3.61Å
453	N	98.1	Very high	98.3	Very high	76 Å²	76	54.5 Å²	54.5	41%	0.406	27%	0.268	S	S	.	.			trans	-83.4	178.7	164.5	69.5	50.6	0	0	0	111.3	D455 E456 R457	N453-D455 PolarHBondContact OD1-N 3.34Å; N453-D455 VanDerWaalsContact OD1-N 3.1Å; N453-E456 PolarHBondContact N-OE2 3.33Å; N453-E456 VanDerWaalsContact ND2-CD 3.26Å; N453-E456 PolarHBondContact ND2-OE2 3.38Å; N453-E456 PolarHBondContact O-N 3Å; N453-E456 WeakPolarHBondContact OD1-CG 3.38Å; N453-E456 PolarHBondContact OD1-N 3.49Å; N453-R457 WeakPolarHBondContact O-CG 3.46Å; N453-R457 PolarHBondContact O-N 2.76Å
454	E	98.1	Very high	98.3	Very high	79 Å²	79	53.5 Å²	53.5	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-42.3	-174.5	-173	56.3	-158.8	0	0	113.5	E456 R457 Q458 R493	E454-E456 VanDerWaalsContact C-N 3.33Å; E454-E456 PolarHBondContact O-N 3.22Å; E454-R457 WeakPolarHBondContact O-CB 3.4Å; E454-R457 PolarHBondContact O-N 3.37Å; E454-R457 IonicContact OE2-CZ 3.12Å; E454-R457 VanDerWaalsContact OE2-CZ 3.31Å; E454-R457 IonicContact OE2-NE 3.9Å; E454-R457 PolarHBondContact OE2-NE 3.46Å; E454-R457 IonicContact OE2-NH2 3.39Å; E454-R457 PolarHBondContact OE2-NH2 3.18Å; E454-Q458 PolarHBondContact O-N 3.39Å; E454-R493 IonicContact OE1-CZ 3.83Å; E454-R493 IonicContact OE1-NH1 3.39Å; E454-R493 PolarHBondContact OE1-NH1 3.09Å; E454-R493 IonicContact OE1-NH2 3.71Å; E454-R493 PolarHBondContact OE1-NH2 3.43Å; E454-R493 IonicContact OE2-NH1 3.85Å; E454-R493 IonicContact OE2-NH2 3.58Å
455	D	97.8	Very high	98.3	Very high	99 Å²	99	53.4 Å²	53.4	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-38.9	179.1	-61.7	-25.3	0	0	0	111.1	N453 Q458 R459	N453-D455 PolarHBondContact OD1-N 3.34Å; N453-D455 VanDerWaalsContact OD1-N 3.1Å; D455-Q458 PolarHBondContact O-N 3.25Å; D455-R459 WeakPolarHBondContact O-CG 3.39Å; D455-R459 PolarHBondContact O-N 3.29Å
456	E	98	Very high	98.2	Very high	54 Å²	54	50.1 Å²	50.1	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-41	174.2	-71.3	172.6	151.6	0	0	111.8	L452 N453 E454 Q458 R459 L460	L452-E456 WeakPolarHBondContact CA-OE2 3.28Å; L452-E456 HydrophobicContact CB-CB 4.13Å; L452-E456 HydrophobicContact CD2-CB 4.08Å; N453-E456 PolarHBondContact N-OE2 3.33Å; N453-E456 VanDerWaalsContact ND2-CD 3.26Å; N453-E456 PolarHBondContact ND2-OE2 3.38Å; N453-E456 PolarHBondContact O-N 3Å; N453-E456 WeakPolarHBondContact OD1-CG 3.38Å; N453-E456 PolarHBondContact OD1-N 3.49Å; E454-E456 VanDerWaalsContact C-N 3.33Å; E454-E456 PolarHBondContact O-N 3.22Å; E456-Q458 VanDerWaalsContact C-N 3.31Å; E456-Q458 PolarHBondContact O-N 3.03Å; E456-R459 VanDerWaalsContact CG-NH2 3.33Å; E456-R459 PolarHBondContact O-N 2.87Å; E456-L460 VanDerWaalsContact O-CB 3.24Å; E456-L460 WeakPolarHBondContact O-CB 3.47Å; E456-L460 PolarHBondContact O-N 3Å
457	R	98.6	Very high	98.2	Very high	42 Å²	42	50.6 Å²	50.6	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-40.7	173.4	-80	-170.4	-75.2	-84.8	-2.6	111.7	Y448 L452 N453 E454 C461	Y448-R457 HydrophobicContact CD2-CG 3.92Å; Y448-R457 VanDerWaalsContact CE1-CD 3.5Å; Y448-R457 HydrophobicContact CE1-CG 4.29Å; Y448-R457 HydrophobicContact CE2-CB 3.98Å; Y448-R457 HydrophobicContact CE2-CG 3.61Å; Y448-R457 HydrophobicContact CG-CG 4.39Å; Y448-R457 VanDerWaalsContact CZ-CD 3.42Å; Y448-R457 VanDerWaalsContact O-CD 3.31Å; Y448-R457 WeakPolarHBondContact O-CD 3.46Å; Y448-R457 PolarHBondContact O-NH1 3.42Å; L452-R457 HydrophobicContact CB-CG 3.97Å; L452-R457 HydrophobicContact CD1-CG 4.44Å; L452-R457 PolarHBondContact O-NH1 3.44Å; N453-R457 WeakPolarHBondContact O-CG 3.46Å; N453-R457 PolarHBondContact O-N 2.76Å; E454-R457 WeakPolarHBondContact O-CB 3.4Å; E454-R457 PolarHBondContact O-N 3.37Å; E454-R457 IonicContact OE2-CZ 3.12Å; E454-R457 VanDerWaalsContact OE2-CZ 3.31Å; E454-R457 IonicContact OE2-NE 3.9Å; E454-R457 PolarHBondContact OE2-NE 3.46Å; E454-R457 IonicContact OE2-NH2 3.39Å; E454-R457 PolarHBondContact OE2-NH2 3.18Å; R457-C461 PolarHBondContact O-N 3.07Å; R457-C461 PolarHBondContact O-SG 3.24Å
458	Q	98.4	Very high	98.2	Very high	95 Å²	95	49.4 Å²	49.4	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-51	176.7	179.3	175.7	-15.5	0	0	111.1	E454 D455 E456 L460 C461 Q462	E454-Q458 PolarHBondContact O-N 3.39Å; D455-Q458 PolarHBondContact O-N 3.25Å; E456-Q458 VanDerWaalsContact C-N 3.31Å; E456-Q458 PolarHBondContact O-N 3.03Å; Q458-L460 VanDerWaalsContact C-N 3.32Å; Q458-L460 PolarHBondContact O-N 3.4Å; Q458-C461 PolarHBondContact O-N 3.45Å; Q458-Q462 WeakPolarHBondContact O-CG 3.29Å; Q458-Q462 PolarHBondContact O-N 3.48Å
459	R	98.4	Very high	98.1	Very high	86 Å²	86	54.1 Å²	54.1	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-41.9	176.9	-73.7	-168.9	-62.9	-82.5	2.5	111.9	D202 D455 E456 C461 Q462 N463	D202-R459 IonicContact OD1-CZ 3.53Å; D202-R459 IonicContact OD1-NE 3.71Å; D202-R459 PolarHBondContact OD1-NE 3.06Å; D202-R459 IonicContact OD1-NH2 2.82Å; D202-R459 IonicContact OD2-CZ 2.89Å; D202-R459 IonicContact OD2-NE 3.3Å; D202-R459 PolarHBondContact OD2-NE 2.8Å; D202-R459 VanDerWaalsContact OD2-NE 3.17Å; D202-R459 IonicContact OD2-NH2 2.79Å; D202-R459 PolarHBondContact OD2-NH2 2.91Å; D455-R459 WeakPolarHBondContact O-CG 3.39Å; D455-R459 PolarHBondContact O-N 3.29Å; E456-R459 VanDerWaalsContact CG-NH2 3.33Å; E456-R459 PolarHBondContact O-N 2.87Å; R459-C461 PolarHBondContact O-N 2.93Å; R459-Q462 PolarHBondContact O-N 2.76Å; R459-N463 WeakPolarHBondContact O-CB 3.36Å; R459-N463 PolarHBondContact O-N 3.02Å; R459-N463 PolarHBondContact O-ND2 3.3Å; R459-N463 VanDerWaalsContact O-ND2 3.11Å
460	L	98.7	Very high	97.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-54.9	-49.5	174.1	172.3	61.4	0	0	0	111.6	S197 F200 Y448 L452 E456 Q458 Q462 N463 V464 Y490	S197-L460 WeakPolarHBondContact O-CD1 3.46Å; F200-L460 VanDerWaalsContact C-CD1 3.42Å; F200-L460 HydrophobicContact CB-CD1 3.63Å; Y448-L460 HydrophobicContact CD2-CD2 3.9Å; Y448-L460 HydrophobicContact CE2-CD2 4.2Å; L452-L460 HydrophobicContact CD1-CD2 3.61Å; E456-L460 VanDerWaalsContact O-CB 3.24Å; E456-L460 WeakPolarHBondContact O-CB 3.47Å; E456-L460 PolarHBondContact O-N 3Å; Q458-L460 VanDerWaalsContact C-N 3.32Å; Q458-L460 PolarHBondContact O-N 3.4Å; L460-Q462 PolarHBondContact O-N 3.06Å; L460-N463 PolarHBondContact O-N 3.34Å; L460-V464 HydrophobicContact CD1-CG2 4.12Å; L460-V464 WeakPolarHBondContact O-CG2 3.45Å; L460-V464 PolarHBondContact O-N 3.44Å; L460-Y490 WeakPolarHBondContact CD1-OH 3.41Å; L460-Y490 HydrophobicContact CD2-CE1 4.29Å; L460-Y490 HydrophobicContact CD2-CE2 4.03Å; L460-Y490 WeakPolarHBondContact CD2-OH 3.31Å; L460-Y490 HydrophobicContact CG-CE2 4Å; L460-Y490 WeakPolarHBondContact CG-OH 3.37Å
461	C	98.7	Very high	98	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-40.1	179.3	-62.3	0	0	0	0	112	R457 Q458 R459 A465 R493 V494 L497	R457-C461 PolarHBondContact O-N 3.07Å; R457-C461 PolarHBondContact O-SG 3.24Å; Q458-C461 PolarHBondContact O-N 3.45Å; R459-C461 PolarHBondContact O-N 2.93Å; C461-A465 VanDerWaalsContact O-CB 3.28Å; C461-A465 WeakPolarHBondContact O-CB 3.41Å; C461-A465 PolarHBondContact O-N 3.15Å; C461-R493 HydrophobicContact CB-CB 4.14Å; C461-V494 HydrophobicContact CB-CG2 3.95Å; C461-L497 HydrophobicContact CB-CD1 4.04Å
462	Q	98.5	Very high	98	Very high	76 Å²	76	46.6 Å²	46.6	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-45.7	175.3	-71.4	170.7	-19.4	0	0	111.9	Q458 R459 L460 G466 L497	Q458-Q462 WeakPolarHBondContact O-CG 3.29Å; Q458-Q462 PolarHBondContact O-N 3.48Å; R459-Q462 PolarHBondContact O-N 2.76Å; L460-Q462 PolarHBondContact O-N 3.06Å; Q462-G466 PolarHBondContact O-N 3.38Å; Q462-L497 HydrophobicContact CG-CD1 4.12Å
463	N	98.6	Very high	98	Very high	26 Å²	26	51 Å²	51	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-45.3	179.4	-65.2	-27.6	0	0	0	111.3	R127 F200 V248 R459 L460 A467	R127-N463 PolarHBondContact NH2-ND2 2.81Å; R127-N463 VanDerWaalsContact NH2-ND2 3.1Å; R127-N463 PolarHBondContact NH2-OD1 3.25Å; F200-N463 HydrophobicContact CB-CB 4.22Å; F200-N463 HydrophobicContact CD1-CB 3.92Å; F200-N463 WeakPolarHBondContact O-CB 3.07Å; F200-N463 PolarHBondContact O-ND2 2.74Å; V248-N463 WeakPolarHBondContact CG2-OD1 3.48Å; R459-N463 WeakPolarHBondContact O-CB 3.36Å; R459-N463 PolarHBondContact O-N 3.02Å; R459-N463 PolarHBondContact O-ND2 3.3Å; R459-N463 VanDerWaalsContact O-ND2 3.11Å; L460-N463 PolarHBondContact O-N 3.34Å; N463-A467 PolarHBondContact O-N 2.66Å; N463-A467 VanDerWaalsContact O-N 3.15Å
464	V	98.6	Very high	98	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-52.9	176	170.2	0	0	0	0	110.6	W183 F200 L460 G466 A467 L468 L483 V494	W183-V464 HydrophobicContact CH2-CG1 3.99Å; F200-V464 HydrophobicContact CB-CG2 3.51Å; F200-V464 HydrophobicContact CD1-CG2 4.28Å; F200-V464 HydrophobicContact CD2-CG2 4.07Å; F200-V464 HydrophobicContact CG-CG2 3.7Å; L460-V464 HydrophobicContact CD1-CG2 4.12Å; L460-V464 WeakPolarHBondContact O-CG2 3.45Å; L460-V464 PolarHBondContact O-N 3.44Å; V464-G466 VanDerWaalsContact C-N 3.32Å; V464-G466 PolarHBondContact O-N 2.91Å; V464-A467 PolarHBondContact O-N 3.08Å; V464-L468 WeakPolarHBondContact O-CB 3.35Å; V464-L468 PolarHBondContact O-N 2.91Å; V464-L483 HydrophobicContact CG1-CD1 4.14Å; V464-V494 HydrophobicContact CB-CG2 4.33Å; V464-V494 HydrophobicContact CG1-CG1 4.06Å; V464-V494 HydrophobicContact CG1-CG2 4.14Å
465	A	98.4	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-39.7	-178.8	0	0	0	0	0	111.9	C461 A467 L468 K469 V494 L497 L498 Y501	C461-A465 VanDerWaalsContact O-CB 3.28Å; C461-A465 WeakPolarHBondContact O-CB 3.41Å; C461-A465 PolarHBondContact O-N 3.15Å; A465-A467 VanDerWaalsContact C-N 3.3Å; A465-A467 PolarHBondContact O-N 2.7Å; A465-L468 PolarHBondContact O-N 3.35Å; A465-K469 WeakPolarHBondContact O-CB 3.34Å; A465-K469 PolarHBondContact O-N 3.03Å; A465-V494 HydrophobicContact CB-CG1 4.25Å; A465-L497 HydrophobicContact CB-CB 3.53Å; A465-L497 HydrophobicContact CB-CD1 3.99Å; A465-L497 HydrophobicContact CB-CG 4.42Å; A465-L498 HydrophobicContact CB-CD2 4.3Å; A465-L498 HydrophobicContact CB-CG 4.3Å; A465-Y501 HydrophobicContact CB-CD2 4.46Å; A465-Y501 HydrophobicContact CB-CE2 3.97Å
466	G	97.4	Very high	98.1	Very high	28 Å²	28	44.7 Å²	44.7	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-35.1	178	0	0	0	0	0	113.5	Q462 V464 K469	Q462-G466 PolarHBondContact O-N 3.38Å; V464-G466 VanDerWaalsContact C-N 3.32Å; V464-G466 PolarHBondContact O-N 2.91Å; G466-K469 VanDerWaalsContact O-CE 3.31Å; G466-K469 WeakPolarHBondContact O-CE 3.47Å; G466-K469 WeakPolarHBondContact O-CG 3.39Å
467	A	97.1	Very high	98.1	Very high	39 Å²	39	48.2 Å²	48.2	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-85.3	-30.8	175.3	0	0	0	0	0	113.5	W183 F200 N463 V464 A465	W183-A467 HydrophobicContact CZ2-CB 3.87Å; W183-A467 PolarHBondContact NE1-O 2.98Å; F200-A467 HydrophobicContact CE1-CB 3.43Å; F200-A467 VanDerWaalsContact CE1-CB 3.43Å; F200-A467 HydrophobicContact CZ-CB 3.76Å; N463-A467 PolarHBondContact O-N 2.66Å; N463-A467 VanDerWaalsContact O-N 3.15Å; V464-A467 PolarHBondContact O-N 3.08Å; A465-A467 VanDerWaalsContact C-N 3.3Å; A465-A467 PolarHBondContact O-N 2.7Å
468	L	98.1	Very high	98.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-80.3	-25	-178.5	178.4	58.5	0	0	0	113.6	W183 V464 A465 G470 A471 Q476 M479 V494 L498	W183-L468 HydrophobicContact CB-CD1 3.73Å; W183-L468 HydrophobicContact CD2-CB 4.15Å; W183-L468 HydrophobicContact CD2-CD1 3.48Å; W183-L468 VanDerWaalsContact CD2-CD1 3.48Å; W183-L468 HydrophobicContact CD2-CG 4.34Å; W183-L468 HydrophobicContact CE3-CD1 3.87Å; W183-L468 HydrophobicContact CG-CD1 3.41Å; W183-L468 VanDerWaalsContact CG-CD1 3.41Å; W183-L468 HydrophobicContact CH2-CB 4.39Å; W183-L468 HydrophobicContact CZ2-CB 3.9Å; V464-L468 WeakPolarHBondContact O-CB 3.35Å; V464-L468 PolarHBondContact O-N 2.91Å; A465-L468 PolarHBondContact O-N 3.35Å; L468-G470 PolarHBondContact O-N 3.05Å; L468-A471 HydrophobicContact CD1-CB 4.07Å; L468-A471 WeakPolarHBondContact O-CB 3.32Å; L468-A471 PolarHBondContact O-N 3.45Å; L468-Q476 HydrophobicContact CD1-CG 4.18Å; L468-Q476 HydrophobicContact CG-CG 4.12Å; L468-M479 HydrophobicContact CD1-CB 4.37Å; L468-M479 HydrophobicContact CD2-CB 3.91Å; L468-M479 HydrophobicContact CD2-CG 3.9Å; L468-V494 HydrophobicContact CD2-CG1 4.46Å; L468-L498 HydrophobicContact CB-CD2 4.31Å; L468-L498 HydrophobicContact CD2-CD1 3.84Å; L468-L498 HydrophobicContact CG-CD1 4.3Å; L468-L498 HydrophobicContact CG-CD2 4.25Å
469	K	97.6	Very high	98.1	Very high	102 Å²	102	44 Å²	44	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.8	-177.4	73.2	-174.4	180	-179.4	0	114.8	A465 G466 A471 Q476 L498 Y501	A465-K469 WeakPolarHBondContact O-CB 3.34Å; A465-K469 PolarHBondContact O-N 3.03Å; G466-K469 VanDerWaalsContact O-CE 3.31Å; G466-K469 WeakPolarHBondContact O-CE 3.47Å; G466-K469 WeakPolarHBondContact O-CG 3.39Å; K469-A471 VanDerWaalsContact C-N 3.33Å; K469-Q476 PolarHBondContact O-NE2 3.35Å; K469-L498 HydrophobicContact CB-CD2 4.09Å; K469-Y501 HydrophobicContact CB-CD2 3.98Å; K469-Y501 HydrophobicContact CB-CG 4.23Å; K469-Y501 HydrophobicContact CD-CD1 4.1Å; K469-Y501 HydrophobicContact CD-CD2 3.92Å; K469-Y501 HydrophobicContact CD-CE1 4.46Å; K469-Y501 HydrophobicContact CD-CE2 4.3Å; K469-Y501 HydrophobicContact CD-CG 3.82Å
470	G	94.6	Very high	98.1	Very high	48 Å²	48	40 Å²	40	50%	0.495	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.8	178.5	0	0	0	0	0	114	P179 L468	P179-G470 WeakPolarHBondContact CG-O 3.49Å; L468-G470 PolarHBondContact O-N 3.05Å
471	A	98	Very high	98.1	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	23%	0.234	C	C	.	.	S	Bend	trans	-82.8	159.2	-179.7	0	0	0	0	0	112	D180 W183 L468 K469 I475 Q476	D180-A471 WeakPolarHBondContact OD1-CA 3.25Å; W183-A471 HydrophobicContact CB-CB 4.11Å; W183-A471 HydrophobicContact CG-CB 4.43Å; L468-A471 HydrophobicContact CD1-CB 4.07Å; L468-A471 WeakPolarHBondContact O-CB 3.32Å; L468-A471 PolarHBondContact O-N 3.45Å; K469-A471 VanDerWaalsContact C-N 3.33Å; A471-I475 HydrophobicContact CB-CB 4.23Å; A471-I475 HydrophobicContact CB-CG2 4.07Å; A471-Q476 PolarHBondContact O-NE2 2.77Å
472	Q	98.1	Very high	98.1	Very high	104 Å²	104	46 Å²	46	49%	0.486	24%	0.241	S	C	.	.			trans	-61.5	148.9	176.4	-73.6	-178.3	72.9	0	0	112.6	D180 F474 I475 Q476	D180-Q472 PolarHBondContact OD1-N 2.82Å; D180-Q472 WeakPolarHBondContact OD2-CG 3.47Å; D180-Q472 PolarHBondContact OD2-NE2 2.79Å; Q472-F474 HydrophobicContact CB-CD1 3.72Å; Q472-F474 HydrophobicContact CB-CE1 3.55Å; Q472-F474 HydrophobicContact CG-CE1 4.22Å; Q472-F474 PolarHBondContact O-N 3.27Å; Q472-F474 VanDerWaalsContact O-N 3.11Å; Q472-I475 HydrophobicContact CB-CD1 4.22Å; Q472-I475 WeakPolarHBondContact O-CA 3.45Å; Q472-I475 WeakPolarHBondContact O-CB 3.5Å; Q472-I475 PolarHBondContact O-N 3.18Å; Q472-Q476 PolarHBondContact O-N 3.35Å
473	L	98.1	Very high	98.1	Very high	109 Å²	109	42.4 Å²	42.4	57%	0.571	22%	0.224	S	C	*	.	H	α-helix	trans	-56.4	-33.9	-173.3	-65.4	176.9	0	0	0	114	I475 Q476 K477	L473-I475 VanDerWaalsContact C-N 3.35Å; L473-Q476 PolarHBondContact O-N 2.74Å; L473-K477 WeakPolarHBondContact O-CB 3.34Å; L473-K477 PolarHBondContact O-N 3.27Å
474	F	98.3	Very high	98.1	Very high	112 Å²	112	45.2 Å²	45.2	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-71.4	-30.7	177.9	76.4	-88.9	0	0	0	112.6	Q472 R478	Q472-F474 HydrophobicContact CB-CD1 3.72Å; Q472-F474 HydrophobicContact CB-CE1 3.55Å; Q472-F474 HydrophobicContact CG-CE1 4.22Å; Q472-F474 PolarHBondContact O-N 3.27Å; Q472-F474 VanDerWaalsContact O-N 3.11Å; F474-R478 WeakPolarHBondContact O-CB 3.42Å; F474-R478 PolarHBondContact O-N 3.36Å
475	I	98.6	Very high	98.1	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-71.2	-46.9	172.5	-60.7	169.2	0	0	0	109.1	D180 W183 D184 A471 Q472 L473 K477 R478 M479	D180-I475 HydrophobicContact CB-CD1 3.99Å; D180-I475 WeakPolarHBondContact OD1-CD1 3.42Å; W183-I475 VanDerWaalsContact C-CG2 3.43Å; W183-I475 HydrophobicContact CB-CG2 3.5Å; W183-I475 VanDerWaalsContact CB-CG2 3.5Å; D184-I475 HydrophobicContact CB-CD1 3.98Å; D184-I475 HydrophobicContact CB-CG1 4.35Å; A471-I475 HydrophobicContact CB-CB 4.23Å; A471-I475 HydrophobicContact CB-CG2 4.07Å; Q472-I475 HydrophobicContact CB-CD1 4.22Å; Q472-I475 WeakPolarHBondContact O-CA 3.45Å; Q472-I475 WeakPolarHBondContact O-CB 3.5Å; Q472-I475 PolarHBondContact O-N 3.18Å; L473-I475 VanDerWaalsContact C-N 3.35Å; I475-K477 VanDerWaalsContact C-N 3.31Å; I475-K477 PolarHBondContact O-N 3.21Å; I475-R478 PolarHBondContact O-N 2.84Å; I475-M479 PolarHBondContact O-N 2.93Å
476	Q	98.6	Very high	98.1	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-53.7	-48.4	175	-62.6	-172.8	21.8	0	0	111.4	L468 K469 A471 Q472 L473 R478 M479 V480 L498 N502	L468-Q476 HydrophobicContact CD1-CG 4.18Å; L468-Q476 HydrophobicContact CG-CG 4.12Å; K469-Q476 PolarHBondContact O-NE2 3.35Å; A471-Q476 PolarHBondContact O-NE2 2.77Å; Q472-Q476 PolarHBondContact O-N 3.35Å; L473-Q476 PolarHBondContact O-N 2.74Å; Q476-R478 PolarHBondContact O-N 3.39Å; Q476-M479 PolarHBondContact O-N 3.32Å; Q476-V480 WeakPolarHBondContact O-CG2 3.36Å; Q476-V480 PolarHBondContact O-N 2.88Å; Q476-L498 HydrophobicContact CB-CD1 4.24Å; Q476-N502 PolarHBondContact OE1-ND2 2.97Å
477	K	98.4	Very high	98.1	Very high	127 Å²	127	48.8 Å²	48.8	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-57	-51.1	177.7	-179.7	-179	172	-175.2	0	112.1	L473 I475 M479 V480 E481	L473-K477 WeakPolarHBondContact O-CB 3.34Å; L473-K477 PolarHBondContact O-N 3.27Å; I475-K477 VanDerWaalsContact C-N 3.31Å; I475-K477 PolarHBondContact O-N 3.21Å; K477-M479 PolarHBondContact O-N 2.96Å; K477-V480 PolarHBondContact O-N 3.12Å; K477-E481 WeakPolarHBondContact CE-OE1 3.31Å; K477-E481 WeakPolarHBondContact O-CG 3.42Å; K477-E481 PolarHBondContact O-N 3.19Å
478	R	98.6	Very high	98.2	Very high	49 Å²	49	50.5 Å²	50.5	19%	0.185	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-43.6	-179.2	-168.2	-175.3	-16.5	159.6	19.7	112	D184 S187 F474 I475 Q476 V480 E481 N482	D184-R478 IonicContact OD1-CZ 3.43Å; D184-R478 VanDerWaalsContact OD1-CZ 3.26Å; D184-R478 IonicContact OD1-NH1 2.67Å; D184-R478 PolarHBondContact OD1-NH1 3.01Å; D184-R478 IonicContact OD1-NH2 2.79Å; D184-R478 PolarHBondContact OD1-NH2 2.97Å; S187-R478 WeakPolarHBondContact OG-CD 3.46Å; S187-R478 PolarHBondContact OG-NE 3.25Å; F474-R478 WeakPolarHBondContact O-CB 3.42Å; F474-R478 PolarHBondContact O-N 3.36Å; I475-R478 PolarHBondContact O-N 2.84Å; Q476-R478 PolarHBondContact O-N 3.39Å; R478-V480 PolarHBondContact O-N 3.24Å; R478-E481 WeakPolarHBondContact O-CB 3.26Å; R478-E481 PolarHBondContact O-N 3.34Å; R478-N482 PolarHBondContact O-N 3.2Å
479	M	98.6	Very high	98.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-41.9	177	-171.9	63.4	-158.5	0	0	111.6	W183 L193 V196 L468 I475 Q476 K477 E481 N482 L483	W183-M479 HydrophobicContact CE3-CG 3.83Å; W183-M479 HydrophobicContact CE3-SD 4.01Å; W183-M479 HydrophobicContact CZ3-CE 3.92Å; W183-M479 HydrophobicContact CZ3-CG 3.86Å; W183-M479 HydrophobicContact CZ3-SD 3.97Å; L193-M479 HydrophobicContact CD2-CE 3.66Å; V196-M479 HydrophobicContact CG1-CE 4.25Å; L468-M479 HydrophobicContact CD1-CB 4.37Å; L468-M479 HydrophobicContact CD2-CB 3.91Å; L468-M479 HydrophobicContact CD2-CG 3.9Å; I475-M479 PolarHBondContact O-N 2.93Å; Q476-M479 PolarHBondContact O-N 3.32Å; K477-M479 PolarHBondContact O-N 2.96Å; M479-E481 VanDerWaalsContact C-N 3.31Å; M479-E481 PolarHBondContact O-N 2.95Å; M479-N482 WeakPolarHBondContact O-CB 3.37Å; M479-N482 PolarHBondContact O-N 3.25Å; M479-L483 HydrophobicContact CE-CD1 4.39Å; M479-L483 HydrophobicContact CE-CD2 3.84Å; M479-L483 HydrophobicContact CE-CG 3.97Å; M479-L483 HydrophobicContact CG-CD1 4.46Å; M479-L483 WeakPolarHBondContact O-CG 3.15Å; M479-L483 PolarHBondContact O-N 3.19Å
480	V	98.6	Very high	98.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-40.1	175	167.3	0	0	0	0	111.4	Q476 K477 R478 L483 K484 V494 Q495 L498	Q476-V480 WeakPolarHBondContact O-CG2 3.36Å; Q476-V480 PolarHBondContact O-N 2.88Å; K477-V480 PolarHBondContact O-N 3.12Å; R478-V480 PolarHBondContact O-N 3.24Å; V480-L483 PolarHBondContact O-N 3.44Å; V480-K484 HydrophobicContact CG1-CD 4.29Å; V480-K484 HydrophobicContact CG1-CG 4.4Å; V480-K484 WeakPolarHBondContact O-CG 3.12Å; V480-K484 PolarHBondContact O-N 3.28Å; V480-V494 HydrophobicContact CG2-CG1 4.22Å; V480-Q495 HydrophobicContact CG1-CB 4.09Å; V480-Q495 HydrophobicContact CG2-CB 4.47Å; V480-L498 HydrophobicContact CG2-CD1 3.85Å
481	E	98.6	Very high	98.4	Very high	98 Å²	98	47.1 Å²	47.1	46%	0.458	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-44.6	175.2	-73.2	169.1	178	0	0	111.6	K477 R478 M479 L483 K484 A485	K477-E481 WeakPolarHBondContact CE-OE1 3.31Å; K477-E481 WeakPolarHBondContact O-CG 3.42Å; K477-E481 PolarHBondContact O-N 3.19Å; R478-E481 WeakPolarHBondContact O-CB 3.26Å; R478-E481 PolarHBondContact O-N 3.34Å; M479-E481 VanDerWaalsContact C-N 3.31Å; M479-E481 PolarHBondContact O-N 2.95Å; E481-L483 VanDerWaalsContact C-N 3.33Å; E481-L483 PolarHBondContact O-N 2.83Å; E481-K484 PolarHBondContact O-N 2.94Å; E481-A485 PolarHBondContact O-N 3Å
482	N	98.5	Very high	98.4	Very high	30 Å²	30	50.5 Å²	50.5	16%	0.16	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-41.9	173.3	-68.3	-15.2	0	0	0	112.1	S187 L193 R478 M479 A485 V486	S187-N482 PolarHBondContact O-ND2 3.26Å; L193-N482 HydrophobicContact CD1-CB 4.2Å; L193-N482 HydrophobicContact CD2-CB 4.01Å; R478-N482 PolarHBondContact O-N 3.2Å; M479-N482 WeakPolarHBondContact O-CB 3.37Å; M479-N482 PolarHBondContact O-N 3.25Å; N482-A485 WeakPolarHBondContact O-CB 3.21Å; N482-A485 PolarHBondContact O-N 3.48Å; N482-V486 PolarHBondContact O-N 3.42Å
483	L	98.6	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-34.3	177.1	-65.8	174	0	0	0	112.7	L193 V464 M479 V480 E481 A485 V486 H487 Y490 V494	L193-L483 HydrophobicContact CD2-CD2 4.07Å; V464-L483 HydrophobicContact CG1-CD1 4.14Å; M479-L483 HydrophobicContact CE-CD1 4.39Å; M479-L483 HydrophobicContact CE-CD2 3.84Å; M479-L483 HydrophobicContact CE-CG 3.97Å; M479-L483 HydrophobicContact CG-CD1 4.46Å; M479-L483 WeakPolarHBondContact O-CG 3.15Å; M479-L483 PolarHBondContact O-N 3.19Å; V480-L483 PolarHBondContact O-N 3.44Å; E481-L483 VanDerWaalsContact C-N 3.33Å; E481-L483 PolarHBondContact O-N 2.83Å; L483-A485 VanDerWaalsContact C-N 3.32Å; L483-V486 WeakPolarHBondContact O-CB 3.36Å; L483-V486 PolarHBondContact O-N 3.03Å; L483-H487 PolarHBondContact O-N 3.17Å; L483-H487 VanDerWaalsContact O-O 3.07Å; L483-Y490 HydrophobicContact CD2-CD1 4.11Å; L483-Y490 HydrophobicContact CD2-CE1 3.72Å; L483-Y490 HydrophobicContact CD2-CE2 4.17Å; L483-Y490 HydrophobicContact CD2-CG 4.5Å; L483-V494 HydrophobicContact CD1-CB 4.1Å; L483-V494 HydrophobicContact CD1-CG1 4.02Å; L483-V494 HydrophobicContact CD1-CG2 3.97Å
484	K	98.4	Very high	98.5	Very high	86 Å²	86	44.1 Å²	44.1	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-65.5	-35.8	172.9	-72.8	179.8	-179.3	178.9	0	111.7	V480 E481 V486 H487 N492	V480-K484 HydrophobicContact CG1-CD 4.29Å; V480-K484 HydrophobicContact CG1-CG 4.4Å; V480-K484 WeakPolarHBondContact O-CG 3.12Å; V480-K484 PolarHBondContact O-N 3.28Å; E481-K484 PolarHBondContact O-N 2.94Å; K484-V486 VanDerWaalsContact C-N 3.27Å; K484-V486 PolarHBondContact O-N 2.9Å; K484-H487 CarbonylContact O-C 3.47Å; K484-H487 PolarHBondContact O-N 3.42Å; K484-N492 VanDerWaalsContact CE-OD1 3.24Å; K484-N492 WeakPolarHBondContact CE-OD1 3.49Å
485	A	98.1	Very high	98.5	Very high	55 Å²	55	41.2 Å²	41.2	46%	0.455	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-33.2	174.1	0	0	0	0	0	112.2	V441 R445 E481 N482 L483	V441-A485 HydrophobicContact CG1-CB 4.12Å; R445-A485 PolarHBondContact NH2-O 3.24Å; E481-A485 PolarHBondContact O-N 3Å; N482-A485 WeakPolarHBondContact O-CB 3.21Å; N482-A485 PolarHBondContact O-N 3.48Å; L483-A485 VanDerWaalsContact C-N 3.32Å
486	V	98.4	Very high	98.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-60.6	168.1	178	0	0	0	0	110.3	L193 V441 V444 R445 N482 L483 K484 Y490	L193-V486 HydrophobicContact CB-CG2 4.47Å; L193-V486 HydrophobicContact CD1-CG2 3.92Å; L193-V486 HydrophobicContact CD2-CG2 4.41Å; V441-V486 HydrophobicContact CB-CG2 4.34Å; V441-V486 HydrophobicContact CG1-CG2 4.04Å; V444-V486 HydrophobicContact CB-CG1 3.8Å; V444-V486 HydrophobicContact CB-CG2 4.02Å; V444-V486 HydrophobicContact CG1-CB 4.49Å; V444-V486 HydrophobicContact CG1-CG1 3.71Å; V444-V486 HydrophobicContact CG1-CG2 3.92Å; R445-V486 HydrophobicContact CB-CG1 4.29Å; R445-V486 WeakPolarHBondContact CG-O 3.3Å; R445-V486 PolarHBondContact NE-O 3.48Å; R445-V486 PolarHBondContact NH2-O 2.93Å; N482-V486 PolarHBondContact O-N 3.42Å; L483-V486 WeakPolarHBondContact O-CB 3.36Å; L483-V486 PolarHBondContact O-N 3.03Å; K484-V486 VanDerWaalsContact C-N 3.27Å; K484-V486 PolarHBondContact O-N 2.9Å; V486-Y490 HydrophobicContact CB-CD1 4.36Å; V486-Y490 HydrophobicContact CG1-CD1 4.05Å
487	H	98.6	Very high	98.5	Very high	47 Å²	47	47.2 Å²	47.2	22%	0.218	24%	0.242	C	C	.	.			trans	-158.6	135.9	176.2	-167.3	-88.1	0	0	0	110.6	Y448 L483 K484 D489 Y490 G491	Y448-H487 HydrophobicContact CD1-CB 4.18Å; Y448-H487 HydrophobicContact CE1-CB 4.47Å; L483-H487 PolarHBondContact O-N 3.17Å; L483-H487 VanDerWaalsContact O-O 3.07Å; K484-H487 CarbonylContact O-C 3.47Å; K484-H487 PolarHBondContact O-N 3.42Å; H487-D489 VanDerWaalsContact C-N 3.32Å; H487-D489 IonicContact CE1-OD2 3.61Å; H487-D489 PolarHBondContact CE1-OD2 3.47Å; H487-D489 WeakPolarHBondContact ND1-CB 3.49Å; H487-D489 PolarHBondContact ND1-N 2.89Å; H487-D489 IonicContact ND1-OD2 3.6Å; H487-D489 PolarHBondContact O-N 3.46Å; H487-Y490 WeakPolarHBondContact O-CB 3.39Å; H487-Y490 PolarHBondContact O-N 2.92Å; H487-G491 PolarHBondContact O-N 3.23Å
488	P	98.4	Very high	98.5	Very high	76 Å²	76	41.1 Å²	41.1	49%	0.494	22%	0.215	S	C	.	.	H	α-helix	trans	-53.2	-45.6	-179	-28.2	35.1	0	0	0	113.4	Y490 G491 N492	P488-Y490 VanDerWaalsContact C-N 3.28Å; P488-Y490 PolarHBondContact O-N 3.26Å; P488-G491 PolarHBondContact O-N 3.01Å; P488-N492 VanDerWaalsContact O-CB 3.3Å; P488-N492 WeakPolarHBondContact O-CB 3.44Å; P488-N492 PolarHBondContact O-N 3.39Å; P488-N492 PolarHBondContact O-ND2 3.03Å
489	D	98.3	Very high	98.4	Very high	79 Å²	79	42.8 Å²	42.8	42%	0.422	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-34.6	178.8	-64	-15.3	0	0	0	113	H487 R493	H487-D489 VanDerWaalsContact C-N 3.32Å; H487-D489 IonicContact CE1-OD2 3.61Å; H487-D489 PolarHBondContact CE1-OD2 3.47Å; H487-D489 WeakPolarHBondContact ND1-CB 3.49Å; H487-D489 PolarHBondContact ND1-N 2.89Å; H487-D489 IonicContact ND1-OD2 3.6Å; H487-D489 PolarHBondContact O-N 3.46Å; D489-R493 VanDerWaalsContact O-CB 3.3Å; D489-R493 WeakPolarHBondContact O-CB 3.37Å; D489-R493 WeakPolarHBondContact O-CD 3.18Å; D489-R493 WeakPolarHBondContact O-CG 3.34Å; D489-R493 PolarHBondContact O-N 3.39Å
490	Y	98.6	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-51.3	-179.6	-169.3	-176.7	0	0	0	110	S197 Y448 L460 L483 V486 H487 P488 V494	S197-Y490 WeakPolarHBondContact OG-CE1 3.42Å; S197-Y490 PolarHBondContact OG-OH 2.8Å; Y448-Y490 AromaticContact CD2-CD1 3.7Å; Y448-Y490 HydrophobicContact CD2-CD1 3.7Å; Y448-Y490 HydrophobicContact CD2-CD2 4.2Å; Y448-Y490 HydrophobicContact CD2-CE1 4.02Å; Y448-Y490 AromaticContact CD2-CG 3.8Å; Y448-Y490 HydrophobicContact CD2-CG 3.8Å; Y448-Y490 HydrophobicContact CE1-CG 4.45Å; Y448-Y490 AromaticContact CE2-CD1 3.96Å; Y448-Y490 HydrophobicContact CE2-CD1 3.96Å; Y448-Y490 AromaticContact CE2-CD2 3.66Å; Y448-Y490 HydrophobicContact CE2-CD2 3.66Å; Y448-Y490 HydrophobicContact CE2-CE1 4.44Å; Y448-Y490 HydrophobicContact CE2-CE2 4.18Å; Y448-Y490 AromaticContact CE2-CG 3.55Å; Y448-Y490 HydrophobicContact CE2-CG 3.55Å; Y448-Y490 HydrophobicContact CG-CD1 4.09Å; Y448-Y490 HydrophobicContact CG-CG 4.36Å; Y448-Y490 AromaticContact CZ-CG 3.91Å; L460-Y490 WeakPolarHBondContact CD1-OH 3.41Å; L460-Y490 HydrophobicContact CD2-CE1 4.29Å; L460-Y490 HydrophobicContact CD2-CE2 4.03Å; L460-Y490 WeakPolarHBondContact CD2-OH 3.31Å; L460-Y490 HydrophobicContact CG-CE2 4Å; L460-Y490 WeakPolarHBondContact CG-OH 3.37Å; L483-Y490 HydrophobicContact CD2-CD1 4.11Å; L483-Y490 HydrophobicContact CD2-CE1 3.72Å; L483-Y490 HydrophobicContact CD2-CE2 4.17Å; L483-Y490 HydrophobicContact CD2-CG 4.5Å; V486-Y490 HydrophobicContact CB-CD1 4.36Å; V486-Y490 HydrophobicContact CG1-CD1 4.05Å; H487-Y490 WeakPolarHBondContact O-CB 3.39Å; H487-Y490 PolarHBondContact O-N 2.92Å; P488-Y490 VanDerWaalsContact C-N 3.28Å; P488-Y490 PolarHBondContact O-N 3.26Å; Y490-V494 HydrophobicContact CD2-CG2 4.21Å; Y490-V494 HydrophobicContact CE2-CG2 4.18Å; Y490-V494 WeakPolarHBondContact O-CG2 3.1Å; Y490-V494 PolarHBondContact O-N 2.92Å
491	G	98.4	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-40.7	176.5	0	0	0	0	0	113.3	H487 P488 V494 Q495	H487-G491 PolarHBondContact O-N 3.23Å; P488-G491 PolarHBondContact O-N 3.01Å; G491-V494 PolarHBondContact O-N 2.91Å; G491-Q495 WeakPolarHBondContact O-CB 3.28Å; G491-Q495 PolarHBondContact O-N 3.5Å
492	N	98.5	Very high	97.9	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	25%	0.25	S	S	.	.	H	α-helix	trans	-65.6	-43.1	180	-72.3	-20.2	0	0	0	112.4	K484 P488 V494 Q495 T496	K484-N492 VanDerWaalsContact CE-OD1 3.24Å; K484-N492 WeakPolarHBondContact CE-OD1 3.49Å; P488-N492 VanDerWaalsContact O-CB 3.3Å; P488-N492 WeakPolarHBondContact O-CB 3.44Å; P488-N492 PolarHBondContact O-N 3.39Å; P488-N492 PolarHBondContact O-ND2 3.03Å; N492-V494 PolarHBondContact O-N 3.35Å; N492-Q495 WeakPolarHBondContact O-CB 3.48Å; N492-Q495 PolarHBondContact O-N 3.16Å; N492-T496 PolarHBondContact O-N 2.65Å; N492-T496 PolarHBondContact O-OG1 2.64Å; N492-T496 VanDerWaalsContact O-OG1 3.09Å
493	R	98.5	Very high	97.6	Very high	79 Å²	79	49.2 Å²	49.2	30%	0.298	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-43	177.6	-73	169.6	-177.2	-140.6	3.5	111.8	E454 C461 D489 T496 L497	E454-R493 IonicContact OE1-CZ 3.83Å; E454-R493 IonicContact OE1-NH1 3.39Å; E454-R493 PolarHBondContact OE1-NH1 3.09Å; E454-R493 IonicContact OE1-NH2 3.71Å; E454-R493 PolarHBondContact OE1-NH2 3.43Å; E454-R493 IonicContact OE2-NH1 3.85Å; E454-R493 IonicContact OE2-NH2 3.58Å; C461-R493 HydrophobicContact CB-CB 4.14Å; D489-R493 VanDerWaalsContact O-CB 3.3Å; D489-R493 WeakPolarHBondContact O-CB 3.37Å; D489-R493 WeakPolarHBondContact O-CD 3.18Å; D489-R493 WeakPolarHBondContact O-CG 3.34Å; D489-R493 PolarHBondContact O-N 3.39Å; R493-T496 PolarHBondContact O-N 3.21Å; R493-L497 WeakPolarHBondContact O-CG 3.49Å; R493-L497 PolarHBondContact O-N 3.22Å
494	V	98.6	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.5	-43.3	175.3	173.1	0	0	0	0	110.7	C461 V464 A465 L468 V480 L483 Y490 G491 N492 T496 L497 L498	C461-V494 HydrophobicContact CB-CG2 3.95Å; V464-V494 HydrophobicContact CB-CG2 4.33Å; V464-V494 HydrophobicContact CG1-CG1 4.06Å; V464-V494 HydrophobicContact CG1-CG2 4.14Å; A465-V494 HydrophobicContact CB-CG1 4.25Å; L468-V494 HydrophobicContact CD2-CG1 4.46Å; V480-V494 HydrophobicContact CG2-CG1 4.22Å; L483-V494 HydrophobicContact CD1-CB 4.1Å; L483-V494 HydrophobicContact CD1-CG1 4.02Å; L483-V494 HydrophobicContact CD1-CG2 3.97Å; Y490-V494 HydrophobicContact CD2-CG2 4.21Å; Y490-V494 HydrophobicContact CE2-CG2 4.18Å; Y490-V494 WeakPolarHBondContact O-CG2 3.1Å; Y490-V494 PolarHBondContact O-N 2.92Å; G491-V494 PolarHBondContact O-N 2.91Å; N492-V494 PolarHBondContact O-N 3.35Å; V494-T496 PolarHBondContact O-N 3.45Å; V494-L497 PolarHBondContact O-N 2.86Å; V494-L498 HydrophobicContact CG1-CD1 3.93Å; V494-L498 HydrophobicContact CG1-CG 4.3Å; V494-L498 WeakPolarHBondContact O-CG 2.94Å; V494-L498 PolarHBondContact O-N 2.99Å
495	Q	98.5	Very high	96.4	Very high	51 Å²	51	51.6 Å²	51.6	24%	0.238	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-49.1	175.6	-175.4	65.7	66.9	0	0	111.9	V480 G491 N492 L497 L498 D499	V480-Q495 HydrophobicContact CG1-CB 4.09Å; V480-Q495 HydrophobicContact CG2-CB 4.47Å; G491-Q495 WeakPolarHBondContact O-CB 3.28Å; G491-Q495 PolarHBondContact O-N 3.5Å; N492-Q495 WeakPolarHBondContact O-CB 3.48Å; N492-Q495 PolarHBondContact O-N 3.16Å; Q495-L497 VanDerWaalsContact C-N 3.28Å; Q495-L497 PolarHBondContact O-N 3.39Å; Q495-L498 PolarHBondContact O-N 3.43Å; Q495-L498 VanDerWaalsContact O-N 3.13Å; Q495-D499 PolarHBondContact NE2-OD1 2.91Å; Q495-D499 PolarHBondContact O-N 3.01Å
496	T	98.4	Very high	95.4	Very high	97 Å²	97	55.8 Å²	55.8	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-58.9	-39.5	179.3	-59.7	0	0	0	0	112.2	N492 R493 V494 K500	N492-T496 PolarHBondContact O-N 2.65Å; N492-T496 PolarHBondContact O-OG1 2.64Å; N492-T496 VanDerWaalsContact O-OG1 3.09Å; R493-T496 PolarHBondContact O-N 3.21Å; V494-T496 PolarHBondContact O-N 3.45Å; T496-K500 PolarHBondContact O-N 3.08Å
497	L	98.3	Very high	94.3	Very high	40 Å²	40	62.9 Å²	62.9	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-42	176.2	-70	166.3	0	0	0	111.9	C461 Q462 A465 R493 V494 Q495 K500 Y501	C461-L497 HydrophobicContact CB-CD1 4.04Å; Q462-L497 HydrophobicContact CG-CD1 4.12Å; A465-L497 HydrophobicContact CB-CB 3.53Å; A465-L497 HydrophobicContact CB-CD1 3.99Å; A465-L497 HydrophobicContact CB-CG 4.42Å; R493-L497 WeakPolarHBondContact O-CG 3.49Å; R493-L497 PolarHBondContact O-N 3.22Å; V494-L497 PolarHBondContact O-N 2.86Å; Q495-L497 VanDerWaalsContact C-N 3.28Å; Q495-L497 PolarHBondContact O-N 3.39Å; L497-K500 WeakPolarHBondContact O-CB 3.41Å; L497-K500 PolarHBondContact O-N 3.39Å; L497-Y501 HydrophobicContact CB-CE2 4.39Å; L497-Y501 WeakPolarHBondContact O-CD2 3.21Å; L497-Y501 PolarHBondContact O-N 2.87Å
498	L	98	Very high	92.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-41.4	175.4	-70.2	172	0	0	0	111.9	A465 L468 K469 Q476 V480 V494 Q495 K500 Y501 N502	A465-L498 HydrophobicContact CB-CD2 4.3Å; A465-L498 HydrophobicContact CB-CG 4.3Å; L468-L498 HydrophobicContact CB-CD2 4.31Å; L468-L498 HydrophobicContact CD2-CD1 3.84Å; L468-L498 HydrophobicContact CG-CD1 4.3Å; L468-L498 HydrophobicContact CG-CD2 4.25Å; K469-L498 HydrophobicContact CB-CD2 4.09Å; Q476-L498 HydrophobicContact CB-CD1 4.24Å; V480-L498 HydrophobicContact CG2-CD1 3.85Å; V494-L498 HydrophobicContact CG1-CD1 3.93Å; V494-L498 HydrophobicContact CG1-CG 4.3Å; V494-L498 WeakPolarHBondContact O-CG 2.94Å; V494-L498 PolarHBondContact O-N 2.99Å; Q495-L498 PolarHBondContact O-N 3.43Å; Q495-L498 VanDerWaalsContact O-N 3.13Å; L498-K500 VanDerWaalsContact C-N 3.25Å; L498-K500 PolarHBondContact O-N 2.73Å; L498-Y501 PolarHBondContact O-N 3.39Å; L498-N502 VanDerWaalsContact O-CB 3.26Å; L498-N502 WeakPolarHBondContact O-CB 2.91Å; L498-N502 PolarHBondContact O-N 3.31Å; L498-N502 PolarHBondContact O-ND2 2.86Å; L498-N502 VanDerWaalsContact O-ND2 3.16Å
499	D	97.4	Very high	90.7	Very high	84 Å²	84	68.5 Å²	68.5	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-58.5	-41.3	176.5	-66.6	-21.6	0	0	0	110.9	Q495 A503	Q495-D499 PolarHBondContact NE2-OD1 2.91Å; Q495-D499 PolarHBondContact O-N 3.01Å; D499-A503 VanDerWaalsContact O-CB 3.26Å; D499-A503 WeakPolarHBondContact O-CB 3.43Å; D499-A503 PolarHBondContact O-N 3.46Å
500	K	96.8	Very high	88.5	Confident	122 Å²	122	71.4 Å²	71.4	53%	0.53	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-52.2	173.2	-177.6	-178.3	174.2	-177.3	0	111.7	T496 L497 L498 N502 A503 E504	T496-K500 PolarHBondContact O-N 3.08Å; L497-K500 WeakPolarHBondContact O-CB 3.41Å; L497-K500 PolarHBondContact O-N 3.39Å; L498-K500 VanDerWaalsContact C-N 3.25Å; L498-K500 PolarHBondContact O-N 2.73Å; K500-N502 PolarHBondContact O-N 2.89Å; K500-A503 PolarHBondContact O-N 3.49Å; K500-E504 WeakPolarHBondContact CE-OE1 3.36Å; K500-E504 WeakPolarHBondContact O-CG 3.45Å; K500-E504 PolarHBondContact O-N 3.37Å
501	Y	95.6	Very high	86	Confident	61 Å²	61	76.4 Å²	76.4	24%	0.239	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-42	179.9	-67.8	-47.2	0	0	0	112.6	A465 K469 L497 L498 E504 A505	A465-Y501 HydrophobicContact CB-CD2 4.46Å; A465-Y501 HydrophobicContact CB-CE2 3.97Å; K469-Y501 HydrophobicContact CB-CD2 3.98Å; K469-Y501 HydrophobicContact CB-CG 4.23Å; K469-Y501 HydrophobicContact CD-CD1 4.1Å; K469-Y501 HydrophobicContact CD-CD2 3.92Å; K469-Y501 HydrophobicContact CD-CE1 4.46Å; K469-Y501 HydrophobicContact CD-CE2 4.3Å; K469-Y501 HydrophobicContact CD-CG 3.82Å; L497-Y501 HydrophobicContact CB-CE2 4.39Å; L497-Y501 WeakPolarHBondContact O-CD2 3.21Å; L497-Y501 PolarHBondContact O-N 2.87Å; L498-Y501 PolarHBondContact O-N 3.39Å; Y501-E504 PolarHBondContact O-N 3.19Å; Y501-A505 WeakPolarHBondContact O-CB 3.49Å; Y501-A505 PolarHBondContact O-N 3.38Å
502	N	93.1	Very high	83.5	Confident	32 Å²	32	85.5 Å²	85.5	17%	0.171	43%	0.434	C	S	.	.	H	α-helix	trans	-68.2	-35.3	179.9	-69.4	-28.3	0	0	0	111.5	Q476 L498 K500 K506	Q476-N502 PolarHBondContact OE1-ND2 2.97Å; L498-N502 VanDerWaalsContact O-CB 3.26Å; L498-N502 WeakPolarHBondContact O-CB 2.91Å; L498-N502 PolarHBondContact O-N 3.31Å; L498-N502 PolarHBondContact O-ND2 2.86Å; L498-N502 VanDerWaalsContact O-ND2 3.16Å; K500-N502 PolarHBondContact O-N 2.89Å; N502-K506 WeakPolarHBondContact O-CG 3.26Å; N502-K506 PolarHBondContact O-N 3.11Å
503	A	92.1	Very high	80.6	Confident	49 Å²	49	88.5 Å²	88.5	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-68.6	-40.1	173.3	0	0	0	0	0	112.4	D499 K500 K507	D499-A503 VanDerWaalsContact O-CB 3.26Å; D499-A503 WeakPolarHBondContact O-CB 3.43Å; D499-A503 PolarHBondContact O-N 3.46Å; K500-A503 PolarHBondContact O-N 3.49Å; A503-K507 WeakPolarHBondContact O-CG 3.31Å; A503-K507 PolarHBondContact O-N 3.14Å
504	E	88.4	Confident	77.9	Confident	85 Å²	85	93.3 Å²	93.3	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-65.1	-42.3	175	-72.7	171.1	-176.7	0	0	111.8	K500 Y501 K506 K507 N508	K500-E504 WeakPolarHBondContact CE-OE1 3.36Å; K500-E504 WeakPolarHBondContact O-CG 3.45Å; K500-E504 PolarHBondContact O-N 3.37Å; Y501-E504 PolarHBondContact O-N 3.19Å; E504-K506 PolarHBondContact O-N 3.08Å; E504-K507 WeakPolarHBondContact O-CB 3.38Å; E504-K507 PolarHBondContact O-N 2.72Å; E504-K507 VanDerWaalsContact O-N 3.16Å; E504-N508 PolarHBondContact O-N 2.99Å
505	A	82.4	Confident	75.3	Confident	52 Å²	52	98 Å²	98	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-44	177.1	0	0	0	0	0	112.4	Y501 K507 N508 T509	Y501-A505 WeakPolarHBondContact O-CB 3.49Å; Y501-A505 PolarHBondContact O-N 3.38Å; A505-K507 PolarHBondContact O-N 3.21Å; A505-N508 PolarHBondContact O-N 2.9Å; A505-N508 VanDerWaalsContact O-N 3.12Å; A505-T509 PolarHBondContact O-N 2.81Å; A505-T509 VanDerWaalsContact O-N 3.12Å; A505-T509 PolarHBondContact O-OG1 2.98Å
506	K	78.8	Confident	72.4	Confident	143 Å²	143	106.9 Å²	106.9	62%	0.622	54%	0.539	S	S	*	.	H	α-helix	trans	-60.8	-31.3	176.1	-74.9	177.1	-178.3	-179.5	0	113.2	N502 E504 T509 N510	N502-K506 WeakPolarHBondContact O-CG 3.26Å; N502-K506 PolarHBondContact O-N 3.11Å; E504-K506 PolarHBondContact O-N 3.08Å; K506-T509 WeakPolarHBondContact CA-OG1 3.4Å; K506-T509 PolarHBondContact O-OG1 2.98Å; K506-N510 PolarHBondContact O-ND2 3.07Å
507	K	74.3	Confident	69.6	Low	149 Å²	149	108.4 Å²	108.4	65%	0.648	55%	0.55	S	S	*	.	H	α-helix	trans	-71.2	-38	175.5	-70.1	175.6	-178.9	179.4	0	111.6	A503 E504 A505 N510	A503-K507 WeakPolarHBondContact O-CG 3.31Å; A503-K507 PolarHBondContact O-N 3.14Å; E504-K507 WeakPolarHBondContact O-CB 3.38Å; E504-K507 PolarHBondContact O-N 2.72Å; E504-K507 VanDerWaalsContact O-N 3.16Å; A505-K507 PolarHBondContact O-N 3.21Å; K507-N510 PolarHBondContact O-N 2.78Å
508	N	63.1	Low	66.7	Low	127 Å²	127	110 Å²	110	68%	0.679	58%	0.577	S	S	*	*	H	α-helix	trans	-75.5	-29	-178.7	-72.3	-13.2	0	0	0	113.6	E504 A505 N510 V511	E504-N508 PolarHBondContact O-N 2.99Å; A505-N508 PolarHBondContact O-N 2.9Å; A505-N508 VanDerWaalsContact O-N 3.12Å; N508-N510 PolarHBondContact O-N 2.84Å; N508-V511 PolarHBondContact O-N 3.44Å
509	T	59.2	Low	63.8	Low	113 Å²	113	115.2 Å²	115.2	69%	0.693	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-15.9	173.3	42.5	0	0	0	0	114	A505 K506	A505-T509 PolarHBondContact O-N 2.81Å; A505-T509 VanDerWaalsContact O-N 3.12Å; A505-T509 PolarHBondContact O-OG1 2.98Å; K506-T509 WeakPolarHBondContact CA-OG1 3.4Å; K506-T509 PolarHBondContact O-OG1 2.98Å
510	N	51.5	Low	61	Low	141 Å²	141	115.7 Å²	115.7	75%	0.754	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	8.5	179.9	-73.3	-17.6	0	0	0	113.9	K506 K507 N508	K506-N510 PolarHBondContact O-ND2 3.07Å; K507-N510 PolarHBondContact O-N 2.78Å; N508-N510 PolarHBondContact O-N 2.84Å
511	V	46	Very low	58.3	Low	104 Å²	104	114.3 Å²	114.3	63%	0.63	65%	0.646	S	S	*	*	S	Bend	trans	-114	114.2	-176.5	-178.4	0	0	0	0	112	N508	N508-V511 PolarHBondContact O-N 3.44Å
512	R	44.9	Very low	55.5	Low	192 Å²	192	120 Å²	120	73%	0.725	68%	0.679	S	S	*	*			trans	77.6	78.2	169.1	-68.9	179.3	175.1	-171	1.8	118.5	Y514	R512-Y514 HydrophobicContact CB-CD2 4.44Å; R512-Y514 HydrophobicContact CG-CE2 4.28Å
513	V	39.2	Very low	52.7	Low	138 Å²	138	123.1 Å²	123.1	84%	0.836	71%	0.709	S	S	*	*			trans	-82.9	103.5	138.6	-177.1	0	0	0	0	107	S515	V513-S515 VanDerWaalsContact C-N 3.31Å; V513-S515 PolarHBondContact O-N 2.97Å
514	Y	42.3	Very low	50.1	Low	179 Å²	179	125.5 Å²	125.5	70%	0.702	73%	0.729	S	S	*	*			trans	-71.1	95.1	160.9	-88	-82.8	0	0	0	107.3	R512 R516	R512-Y514 HydrophobicContact CB-CD2 4.44Å; R512-Y514 HydrophobicContact CG-CE2 4.28Å; Y514-R516 PolarHBondContact O-N 2.91Å
515	S	42.5	Very low	47.4	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	75%	0.751	S	S	*	*			trans	-66.1	115.6	165.8	51.5	0	0	0	0	108.4	V513	V513-S515 VanDerWaalsContact C-N 3.31Å; V513-S515 PolarHBondContact O-N 2.97Å
516	R	38.1	Very low	45.3	Very low	237 Å²	237	130.3 Å²	130.3	89%	0.894	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.6	135.2	166.4	-87	-177.9	172.2	178.3	-2.3	109	Y514 G518	Y514-R516 PolarHBondContact O-N 2.91Å; R516-G518 PolarHBondContact O-N 2.9Å
517	P	40.4	Very low	43.3	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.6	134.1	169.7	-11.4	26	0	0	0	109	A519	P517-A519 PolarHBondContact O-N 3.47Å
518	G	36.6	Very low	41.4	Very low	75 Å²	75	138.9 Å²	138.9	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-58.6	133.2	-177.1	0	0	0	0	0	112.7	R516 A520	R516-G518 PolarHBondContact O-N 2.9Å; G518-A520 PolarHBondContact O-N 2.98Å
519	A	37.1	Very low	40.3	Very low	108 Å²	108	139.5 Å²	139.5	89%	0.893	82%	0.82	S	S	*	*			trans	-74.2	102.5	164.3	0	0	0	0	0	108.3	P517	P517-A519 PolarHBondContact O-N 3.47Å
520	A	39.6	Very low	39.3	Very low	94 Å²	94	140.9 Å²	140.9	78%	0.777	83%	0.827	S	S	*	*			trans	-77.3	135.1	164	0	0	0	0	0	109.8	G518	G518-A520 PolarHBondContact O-N 2.98Å
521	A	39.6	Very low	38.6	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	83%	0.831	S	S	*	*			trans	62.7	96.9	152.2	0	0	0	0	0	119.3
522	I	36	Very low	38.2	Very low	181 Å²	181	143.1 Å²	143.1	93%	0.928	84%	0.842	S	S	*	*				-140.6	102.5	129.7	-54.7	-177.9	0	0	0	107.8
523	A	35.6	Very low	37.7	Very low	97 Å²	97	140 Å²	140	80%	0.802	85%	0.85	S	S	*	*			trans	-121	120.1	164.4	0	0	0	0	0	108.6
524	A	36.7	Very low	37.6	Very low	99 Å²	99	140.1 Å²	140.1	82%	0.818	85%	0.851	S	S	*	*			trans	47.8	112.4	148.4	0	0	0	0	0	120.3
525	S	32.1	Very low	37.3	Very low	125 Å²	125	137.4 Å²	137.4	87%	0.874	86%	0.861	S	S	*	*			trans	-146.5	96.4	133.6	69.1	0	0	0	0	111
526	S	37.6	Very low	36.9	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	87%	0.874	S	S	*	*			trans	-90.2	114.6	152.9	55.4	0	0	0	0	108.1
527	K	36.7	Very low	36.8	Very low	206 Å²	206	132.2 Å²	132.2	90%	0.896	87%	0.872	S	S	*	*			trans	-176.4	131.4	149.9	-104.8	173.9	-173.4	-174.2	0	110.8
528	M	33.8	Very low	36.5	Very low	267 Å²	267	132.5 Å²	132.5	100%	1.315	88%	0.876	S	S	*	*			trans	77.3	0	-179.6	-66.3	-170.2	-161.4	0	0	117

Retrieved 528 of 528 residues in 150.8 ms (Link to these results)

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