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Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

S-adenosyl-L-methionine-dependent methyltransferase that mediates mRNA cap1 2'-O-ribose methylation to the 5'-cap structure of mRNAs¹. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1)². Positively regulates the Ago2-dependent small RNA pathway, with roles in both siRNA biogenesis and RISC assembly³. Involved in facilitating conversion of pre-RISC into holo-RISC, possibly by promoting the unwinding of Ago2-bound siRNA duplexes and thus the retention of the guide strand in holo-RISC⁴.

AlphaFold DB , UniProt , Accession Q9W4N2, Species DROME (Drosophila melanogaster, Fruit fly), Gene Cmtr1, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	43.3	Very low	236 Å²	236	91 Å²	91	100%	1.163	48%	0.484	S	S	*	.				0	117	0	-69.6	-174.6	-150.3	0	0	104.1	E3	M1-E3 PolarHBondContact O-N 2.96Å
2	D	30.8	Very low	43.4	Very low	165 Å²	165	91.4 Å²	91.4	88%	0.882	50%	0.495	S	S	*	.			trans	-59.9	128.3	173.7	-64	-34.9	0	0	0	107.6
3	E	26.6	Very low	42.9	Very low	180 Å²	180	94.1 Å²	94.1	84%	0.841	52%	0.517	S	S	*	.			trans	-57.1	134.4	172.8	-79.1	-172.7	160.6	0	0	108.7	M1 S5	M1-E3 PolarHBondContact O-N 2.96Å; E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 3.03Å
4	P	36	Very low	42.5	Very low	95 Å²	95	95.1 Å²	95.1	62%	0.617	53%	0.53	S	S	*	.			trans	-73.4	88.3	-174.4	28.5	-33.9	0	0	0	111.3	R155	P4-R155 PolarHBondContact O-NH2 2.86Å
5	S	38.9	Very low	41.8	Very low	58 Å²	58	100.5 Å²	100.5	41%	0.406	55%	0.546	S	S	.	.			trans	-50.5	136.5	172.3	164.6	0	0	0	0	112.8	E3 D7 S10	E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 3.03Å; S5-D7 PolarHBondContact O-N 3.19Å; S5-D7 WeakPolarHBondContact OG-CB 3.37Å; S5-D7 PolarHBondContact OG-N 2.86Å; S5-S10 PolarHBondContact O-OG 2.72Å
6	D	44.3	Very low	41	Very low	26 Å²	26	105.9 Å²	105.9	14%	0.139	56%	0.563	C	S	.	*			trans	-83	16.7	172.7	-153.5	32.8	0	0	0	112.9	E8 R158 K307	D6-E8 PolarHBondContact O-N 3.17Å; D6-R158 IonicContact OD1-CZ 3Å; D6-R158 IonicContact OD1-NH1 3.61Å; D6-R158 PolarHBondContact OD1-NH1 3.42Å; D6-R158 IonicContact OD1-NH2 3.58Å; D6-R158 PolarHBondContact OD1-NH2 2.77Å; D6-R158 IonicContact OD2-NH1 3.56Å; D6-R158 PolarHBondContact OD2-NH1 2.76Å; D6-K307 IonicContact OD2-NZ 2.69Å; D6-K307 PolarHBondContact OD2-NZ 3.22Å
7	D	55.1	Low	40.6	Very low	82 Å²	82	107.1 Å²	107.1	44%	0.439	57%	0.567	S	S	.	*			trans	-50.9	135.5	173.1	166.8	15.8	0	0	0	111.1	S5 N9 S10	S5-D7 PolarHBondContact O-N 3.19Å; S5-D7 WeakPolarHBondContact OG-CB 3.37Å; S5-D7 PolarHBondContact OG-N 2.86Å; D7-N9 PolarHBondContact O-N 3.49Å; D7-N9 PolarHBondContact OD1-N 3.26Å; D7-S10 VanDerWaalsContact O-CB 3.29Å; D7-S10 WeakPolarHBondContact O-CB 3.44Å; D7-S10 PolarHBondContact O-N 3.46Å; D7-S10 PolarHBondContact O-OG 3.46Å
8	E	56.5	Low	39.9	Very low	42 Å²	42	108.1 Å²	108.1	20%	0.196	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-28.7	-176.9	-57.4	-163.5	144.1	0	0	113	D6 R370 N373	D6-E8 PolarHBondContact O-N 3.17Å; E8-R370 PolarHBondContact O-NH2 3.04Å; E8-N373 WeakPolarHBondContact OE1-CB 3.44Å; E8-N373 PolarHBondContact OE1-ND2 2.95Å; E8-N373 PolarHBondContact OE2-ND2 2.83Å
9	N	57.9	Low	39.7	Very low	26 Å²	26	112 Å²	112	14%	0.139	57%	0.572	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-6.2	173.6	-72.4	-33.7	0	0	0	112.7	D7 E11	D7-N9 PolarHBondContact O-N 3.49Å; D7-N9 PolarHBondContact OD1-N 3.26Å; N9-E11 PolarHBondContact O-N 3.05Å
10	S	50.1	Low	39.5	Very low	31 Å²	31	113.1 Å²	113.1	22%	0.217	58%	0.575	C	S	.	*			trans	-67.9	123.5	176.6	85.7	0	0	0	0	110.2	S5 D7	S5-S10 PolarHBondContact O-OG 2.72Å; D7-S10 VanDerWaalsContact O-CB 3.29Å; D7-S10 WeakPolarHBondContact O-CB 3.44Å; D7-S10 PolarHBondContact O-N 3.46Å; D7-S10 PolarHBondContact O-OG 3.46Å
11	E	53.4	Low	39.9	Very low	60 Å²	60	114.7 Å²	114.7	28%	0.28	57%	0.574	S	S	.	*			trans	-109.5	136.4	172.5	-60.9	-165.8	155.5	0	0	107.8	N9 T13 S169	N9-E11 PolarHBondContact O-N 3.05Å; E11-T13 PolarHBondContact O-N 2.62Å; E11-S169 WeakPolarHBondContact OE1-CB 3.49Å; E11-S169 PolarHBondContact OE1-N 2.91Å; E11-S169 WeakPolarHBondContact OE2-CB 3.4Å; E11-S169 PolarHBondContact OE2-OG 2.76Å
12	P	44.5	Very low	40.8	Very low	96 Å²	96	107 Å²	107	62%	0.623	54%	0.54	S	S	*	.			trans	-54.2	134.3	166.3	23.7	-31.4	0	0	0	107.3	P14	P12-P14 VanDerWaalsContact O-N 3.13Å
13	T	36.7	Very low	41.6	Very low	126 Å²	126	108 Å²	108	77%	0.773	54%	0.537	S	S	*	.			trans	-45.4	129.4	175.3	-21.5	0	0	0	0	106.6	E11 K15	E11-T13 PolarHBondContact O-N 2.62Å; T13-K15 VanDerWaalsContact C-N 3.29Å; T13-K15 PolarHBondContact O-N 2.95Å
14	P	37	Very low	43	Very low	109 Å²	109	103.7 Å²	103.7	71%	0.708	53%	0.526	S	S	*	.			trans	-53.6	107.5	174.9	19.3	-29.3	0	0	0	104.8	P12 K16	P12-P14 VanDerWaalsContact O-N 3.13Å; P14-K16 PolarHBondContact O-N 3.18Å
15	K	31.8	Very low	43.9	Very low	175 Å²	175	104.7 Å²	104.7	76%	0.761	52%	0.519	S	S	*	.			trans	-52.4	112.1	163.7	-76	-173	179.7	-179.6	0	100.4	T13 I17	T13-K15 VanDerWaalsContact C-N 3.29Å; T13-K15 PolarHBondContact O-N 2.95Å; K15-I17 PolarHBondContact O-N 3.23Å
16	K	30.2	Very low	45.6	Very low	188 Å²	188	105.4 Å²	105.4	82%	0.817	52%	0.524	S	S	*	.			trans	-44.9	109.2	169	-83.5	-179.7	176	177.4	0	102	P14 K18	P14-K16 PolarHBondContact O-N 3.18Å; K16-K18 PolarHBondContact O-N 3.12Å
17	I	34.2	Very low	47.3	Very low	125 Å²	125	110.9 Å²	110.9	64%	0.641	55%	0.553	S	S	*	*			trans	-56	104.3	163.7	-65	173	0	0	0	99	K15 R19	K15-I17 PolarHBondContact O-N 3.23Å; I17-R19 HydrophobicContact CG2-CG 4.24Å; I17-R19 PolarHBondContact O-N 3.12Å
18	K	28	Very low	48.4	Very low	125 Å²	125	114.2 Å²	114.2	54%	0.543	56%	0.564	S	S	.	*			trans	-64.8	79	-175.3	-87.5	-174.6	174.3	-175.3	0	104.2	K16 E20 W21	K16-K18 PolarHBondContact O-N 3.12Å; K18-E20 PolarHBondContact O-N 3.3Å; K18-W21 PolarHBondContact O-N 3.41Å
19	R	36.2	Very low	49.3	Very low	183 Å²	183	113.4 Å²	113.4	69%	0.691	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-11.5	170.9	-74.8	-176.8	172.3	176.9	-5.2	109.8	I17 W21 V22	I17-R19 HydrophobicContact CG2-CG 4.24Å; I17-R19 PolarHBondContact O-N 3.12Å; R19-W21 PolarHBondContact O-N 3.09Å; R19-V22 PolarHBondContact O-N 3.04Å; R19-V22 VanDerWaalsContact O-N 3.12Å
20	E	35.9	Very low	50.2	Low	133 Å²	133	113.5 Å²	113.5	62%	0.621	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-16.7	162.9	-73.9	-176.4	161.5	0	0	115.4	K18 V22 K23 S24	K18-E20 PolarHBondContact O-N 3.3Å; E20-V22 PolarHBondContact O-N 2.99Å; E20-K23 WeakPolarHBondContact O-CA 3.46Å; E20-K23 WeakPolarHBondContact O-CB 3.43Å; E20-K23 PolarHBondContact O-N 3.37Å; E20-S24 PolarHBondContact O-N 3.39Å
21	W	47.1	Very low	51.5	Low	148 Å²	148	118 Å²	118	56%	0.561	58%	0.582	S	S	*	*	H	α-helix	trans	-59.3	-31.7	170.2	-65.1	106.3	0	0	0	111.6	K18 R19 K23 S24 Y25	K18-W21 PolarHBondContact O-N 3.41Å; R19-W21 PolarHBondContact O-N 3.09Å; W21-K23 PolarHBondContact O-N 2.94Å; W21-S24 VanDerWaalsContact O-CB 3.29Å; W21-S24 WeakPolarHBondContact O-CB 3.36Å; W21-S24 PolarHBondContact O-N 3.37Å; W21-Y25 WeakPolarHBondContact O-CD2 3.33Å; W21-Y25 PolarHBondContact O-N 3.38Å
22	V	45.4	Very low	52.6	Low	75 Å²	75	120 Å²	120	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-64.9	-26.2	175.2	-177.3	0	0	0	0	111.8	R19 E20 M30	R19-V22 PolarHBondContact O-N 3.04Å; R19-V22 VanDerWaalsContact O-N 3.12Å; E20-V22 PolarHBondContact O-N 2.99Å; V22-M30 HydrophobicContact CG1-CE 3.96Å; V22-M30 HydrophobicContact CG1-SD 4.18Å
23	K	47.6	Very low	54.1	Low	185 Å²	185	117.3 Å²	117.3	80%	0.804	57%	0.572	S	S	*	*	H	α-helix	trans	-83.4	-17.6	172.3	-68.4	-172.4	177.3	-177.4	0	113.6	E20 W21	E20-K23 WeakPolarHBondContact O-CA 3.46Å; E20-K23 WeakPolarHBondContact O-CB 3.43Å; E20-K23 PolarHBondContact O-N 3.37Å; W21-K23 PolarHBondContact O-N 2.94Å
24	S	56.4	Low	56.2	Low	89 Å²	89	117.6 Å²	117.6	62%	0.622	56%	0.563	S	S	*	*	H	α-helix	trans	-76.8	-30.1	177.6	-178.5	0	0	0	0	112.2	E20 W21	E20-S24 PolarHBondContact O-N 3.39Å; W21-S24 VanDerWaalsContact O-CB 3.29Å; W21-S24 WeakPolarHBondContact O-CB 3.36Å; W21-S24 PolarHBondContact O-N 3.37Å
25	Y	55.2	Low	58	Low	116 Å²	116	121.3 Å²	121.3	46%	0.455	57%	0.567	S	S	.	*	S	Bend	trans	-81.9	134.8	176	-69.1	-73.8	0	0	0	110.7	W21 A29 M33	W21-Y25 WeakPolarHBondContact O-CD2 3.33Å; W21-Y25 PolarHBondContact O-N 3.38Å; Y25-A29 HydrophobicContact CD1-CB 4.15Å; Y25-M33 HydrophobicContact CD1-CE 4.4Å; Y25-M33 HydrophobicContact CD2-CE 4.34Å; Y25-M33 HydrophobicContact CG-CE 4.13Å
26	S	74	Confident	60.2	Low	73 Å²	73	120.3 Å²	120.3	51%	0.51	57%	0.567	S	S	.	*			trans	-58.2	151.4	171.2	72.6	0	0	0	0	110.3	K28 A29 M30	S26-K28 PolarHBondContact O-N 2.91Å; S26-A29 WeakPolarHBondContact O-CB 3.4Å; S26-A29 PolarHBondContact O-N 3.45Å; S26-A29 PolarHBondContact OG-N 3.42Å; S26-A29 VanDerWaalsContact OG-N 3.17Å; S26-M30 PolarHBondContact O-N 2.9Å; S26-M30 VanDerWaalsContact O-N 3.12Å
27	N	79.1	Confident	62.2	Low	141 Å²	141	113.3 Å²	113.3	75%	0.754	55%	0.549	S	S	*	.	H	α-helix	trans	-50.5	-33.9	173.2	-72.9	-19.4	0	0	0	111.7	M30 E31	N27-M30 PolarHBondContact O-N 2.75Å; N27-E31 PolarHBondContact O-N 3.44Å
28	K	78.3	Confident	64	Low	152 Å²	152	110.1 Å²	110.1	66%	0.661	53%	0.529	S	S	*	.	H	α-helix	trans	-65.8	-41.3	176.4	-164.8	168.4	-175.4	176.1	0	113	S26 E31 M32	S26-K28 PolarHBondContact O-N 2.91Å; K28-E31 PolarHBondContact O-N 3Å; K28-M32 WeakPolarHBondContact O-CB 3.49Å; K28-M32 WeakPolarHBondContact O-CG 3.48Å; K28-M32 PolarHBondContact O-N 3.12Å
29	A	76	Confident	66.2	Low	26 Å²	26	108.5 Å²	108.5	22%	0.215	52%	0.524	C	S	.	.	H	α-helix	trans	-65.9	-38.7	175.2	0	0	0	0	0	111.6	Y25 S26 M32 M33	Y25-A29 HydrophobicContact CD1-CB 4.15Å; S26-A29 WeakPolarHBondContact O-CB 3.4Å; S26-A29 PolarHBondContact O-N 3.45Å; S26-A29 PolarHBondContact OG-N 3.42Å; S26-A29 VanDerWaalsContact OG-N 3.17Å; A29-M32 PolarHBondContact O-N 3.17Å; A29-M33 WeakPolarHBondContact O-CG 3.28Å; A29-M33 PolarHBondContact O-N 3.34Å
30	M	76.8	Confident	67.8	Low	27 Å²	27	104.9 Å²	104.9	13%	0.133	52%	0.518	C	S	.	.	H	α-helix	trans	-65.3	-42	175	-71.1	-61	-59	0	0	112.6	V22 S26 N27 M33 K34 Y38	V22-M30 HydrophobicContact CG1-CE 3.96Å; V22-M30 HydrophobicContact CG1-SD 4.18Å; S26-M30 PolarHBondContact O-N 2.9Å; S26-M30 VanDerWaalsContact O-N 3.12Å; N27-M30 PolarHBondContact O-N 2.75Å; M30-M33 HydrophobicContact CG-CE 4.4Å; M30-M33 PolarHBondContact O-N 2.84Å; M30-M33 HydrophobicContact SD-CE 3.43Å; M30-M33 WeakPolarHBondContact SD-CE 3.44Å; M30-K34 WeakPolarHBondContact O-CG 3.34Å; M30-K34 PolarHBondContact O-N 3.06Å; M30-Y38 HydrophobicContact CE-CE1 4.14Å
31	E	78.1	Confident	69.3	Low	126 Å²	126	104.6 Å²	104.6	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-65.1	-40.2	173.6	-78.4	-174.2	169.3	0	0	112.6	N27 K28 K34 K35	N27-E31 PolarHBondContact O-N 3.44Å; K28-E31 PolarHBondContact O-N 3Å; E31-K34 PolarHBondContact O-N 2.96Å; E31-K35 WeakPolarHBondContact O-CG 2.87Å; E31-K35 PolarHBondContact O-N 3.37Å
32	M	75.9	Confident	70.4	Confident	101 Å²	101	101.6 Å²	101.6	50%	0.498	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-45.4	174.5	-77.2	179.3	64.1	0	0	111.5	K28 A29 K34 K35 M36	K28-M32 WeakPolarHBondContact O-CB 3.49Å; K28-M32 WeakPolarHBondContact O-CG 3.48Å; K28-M32 PolarHBondContact O-N 3.12Å; A29-M32 PolarHBondContact O-N 3.17Å; M32-K34 PolarHBondContact O-N 2.91Å; M32-K35 PolarHBondContact O-N 2.56Å; M32-M36 HydrophobicContact CE-CE 4.44Å; M32-M36 WeakPolarHBondContact O-CG 3.34Å; M32-M36 PolarHBondContact O-N 3.23Å
33	M	75.8	Confident	71.5	Confident	40 Å²	40	98.3 Å²	98.3	20%	0.197	49%	0.493	C	S	.	.	H	α-helix	trans	-60.6	-45.1	176.2	-75.8	-172.1	-75.4	0	0	111.4	Y25 A29 M30 K35 M36 G37 Y38	Y25-M33 HydrophobicContact CD1-CE 4.4Å; Y25-M33 HydrophobicContact CD2-CE 4.34Å; Y25-M33 HydrophobicContact CG-CE 4.13Å; A29-M33 WeakPolarHBondContact O-CG 3.28Å; A29-M33 PolarHBondContact O-N 3.34Å; M30-M33 HydrophobicContact CG-CE 4.4Å; M30-M33 PolarHBondContact O-N 2.84Å; M30-M33 HydrophobicContact SD-CE 3.43Å; M30-M33 WeakPolarHBondContact SD-CE 3.44Å; M33-K35 PolarHBondContact O-N 2.72Å; M33-M36 CarbonylContact O-C 3.56Å; M33-M36 WeakPolarHBondContact O-CA 3.24Å; M33-M36 WeakPolarHBondContact O-CB 3.39Å; M33-M36 PolarHBondContact O-N 2.93Å; M33-G37 PolarHBondContact O-N 3.11Å; M33-Y38 VanDerWaalsContact C-CB 3.49Å; M33-Y38 HydrophobicContact CB-CD1 4.35Å; M33-Y38 HydrophobicContact CB-CG 4.15Å; M33-Y38 WeakPolarHBondContact O-CB 3.31Å; M33-Y38 PolarHBondContact O-N 3.3Å
34	K	80.6	Confident	72.5	Confident	133 Å²	133	95.1 Å²	95.1	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-59.9	-42.6	174.8	-77.4	-177.9	178.4	-178.4	0	112.4	M30 E31 M32 M36 G37	M30-K34 WeakPolarHBondContact O-CG 3.34Å; M30-K34 PolarHBondContact O-N 3.06Å; E31-K34 PolarHBondContact O-N 2.96Å; M32-K34 PolarHBondContact O-N 2.91Å; K34-M36 PolarHBondContact O-N 2.79Å; K34-G37 PolarHBondContact O-N 2.81Å
35	K	75.8	Confident	73	Confident	186 Å²	186	92.5 Å²	92.5	81%	0.809	47%	0.471	S	S	*	.	H	α-helix	trans	-62.4	-27.7	173.8	-77.8	-177.8	178.3	179.4	0	112.9	E31 M32 M33 G37	E31-K35 WeakPolarHBondContact O-CG 2.87Å; E31-K35 PolarHBondContact O-N 3.37Å; M32-K35 PolarHBondContact O-N 2.56Å; M33-K35 PolarHBondContact O-N 2.72Å; K35-G37 VanDerWaalsContact C-N 3.28Å
36	M	77.5	Confident	73.5	Confident	154 Å²	154	97.1 Å²	97.1	76%	0.759	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	6.7	174.3	-66.9	178.3	177	0	0	113.4	M32 M33 K34	M32-M36 HydrophobicContact CE-CE 4.44Å; M32-M36 WeakPolarHBondContact O-CG 3.34Å; M32-M36 PolarHBondContact O-N 3.23Å; M33-M36 CarbonylContact O-C 3.56Å; M33-M36 WeakPolarHBondContact O-CA 3.24Å; M33-M36 WeakPolarHBondContact O-CB 3.39Å; M33-M36 PolarHBondContact O-N 2.93Å; K34-M36 PolarHBondContact O-N 2.79Å
37	G	72.9	Confident	73.5	Confident	42 Å²	42	98.1 Å²	98.1	43%	0.433	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	12.7	176.9	0	0	0	0	0	115.3	M33 K34 K35 E39	M33-G37 PolarHBondContact O-N 3.11Å; K34-G37 PolarHBondContact O-N 2.81Å; K35-G37 VanDerWaalsContact C-N 3.28Å; G37-E39 PolarHBondContact O-N 2.66Å
38	Y	71.8	Confident	73.2	Confident	57 Å²	57	94.1 Å²	94.1	22%	0.224	48%	0.479	C	S	.	.			trans	-67.4	123.2	173.1	173.9	-95.9	0	0	0	111.3	M30 M33 L44	M30-Y38 HydrophobicContact CE-CE1 4.14Å; M33-Y38 VanDerWaalsContact C-CB 3.49Å; M33-Y38 HydrophobicContact CB-CD1 4.35Å; M33-Y38 HydrophobicContact CB-CG 4.15Å; M33-Y38 WeakPolarHBondContact O-CB 3.31Å; M33-Y38 PolarHBondContact O-N 3.3Å; Y38-L44 HydrophobicContact CD2-CG 4.32Å
39	E	73.8	Confident	72.6	Confident	92 Å²	92	93.1 Å²	93.1	43%	0.43	48%	0.477	S	S	.	.			trans	-112	147	169.6	-66.9	178.8	-142.8	0	0	110.1	G37 D41 K42	G37-E39 PolarHBondContact O-N 2.66Å; E39-D41 PolarHBondContact O-N 3.41Å; E39-K42 HydrophobicContact CB-CB 4.19Å; E39-K42 HydrophobicContact CB-CD 4.06Å; E39-K42 HydrophobicContact CB-CG 4.2Å; E39-K42 VanDerWaalsContact CD-NZ 3.34Å; E39-K42 PolarHBondContact O-N 3.1Å; E39-K42 IonicContact OE1-NZ 2.79Å; E39-K42 PolarHBondContact OE1-NZ 3.17Å; E39-K42 WeakPolarHBondContact OE2-CD 3.48Å; E39-K42 WeakPolarHBondContact OE2-CE 3.39Å; E39-K42 IonicContact OE2-NZ 3.99Å; E39-K42 PolarHBondContact OE2-NZ 3.37Å
40	N	70.2	Confident	72	Confident	107 Å²	107	93 Å²	93	57%	0.572	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	138.5	172.6	-76.3	-20.3	0	0	0	109.9	K42	N40-K42 PolarHBondContact O-N 2.95Å
41	D	66.5	Low	71.3	Confident	126 Å²	126	98.3 Å²	98.3	67%	0.674	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	17	-179.3	-51.2	-45.9	0	0	0	115.4	E39	E39-D41 PolarHBondContact O-N 3.41Å
42	K	71.6	Confident	70.1	Confident	85 Å²	85	98 Å²	98	37%	0.37	50%	0.498	S	S	.	.	S	Bend	trans	-118.1	155	169.7	-66.2	-165.8	-175.2	165.2	0	113	E39 N40 N48 L52	E39-K42 HydrophobicContact CB-CB 4.19Å; E39-K42 HydrophobicContact CB-CD 4.06Å; E39-K42 HydrophobicContact CB-CG 4.2Å; E39-K42 VanDerWaalsContact CD-NZ 3.34Å; E39-K42 PolarHBondContact O-N 3.1Å; E39-K42 IonicContact OE1-NZ 2.79Å; E39-K42 PolarHBondContact OE1-NZ 3.17Å; E39-K42 WeakPolarHBondContact OE2-CD 3.48Å; E39-K42 WeakPolarHBondContact OE2-CE 3.39Å; E39-K42 IonicContact OE2-NZ 3.99Å; E39-K42 PolarHBondContact OE2-NZ 3.37Å; N40-K42 PolarHBondContact O-N 2.95Å; K42-N48 HydrophobicContact CB-CB 4.12Å; K42-N48 HydrophobicContact CD-CB 4.1Å; K42-L52 VanDerWaalsContact C-CD2 3.49Å; K42-L52 WeakPolarHBondContact O-CD2 3.38Å
43	G	68.2	Low	69	Low	6 Å²	6	99.6 Å²	99.6	6%	0.062	50%	0.504	C	S	.	.			trans	-69.8	147.1	178.6	0	0	0	0	0	114	G45 N48 G50	G43-G45 PolarHBondContact O-N 3.42Å; G43-N48 CarbonylContact O-C 3.45Å; G43-N48 VanDerWaalsContact O-CA 3.25Å; G43-N48 WeakPolarHBondContact O-CA 3.47Å; G43-G50 WeakPolarHBondContact CA-O 3.48Å
44	L	68.4	Low	67.8	Low	119 Å²	119	101.9 Å²	101.9	62%	0.623	52%	0.522	S	S	*	.	S	Bend	trans	-68.3	119.1	172.3	-94.7	141.8	0	0	0	112.4	Y38 G50	Y38-L44 HydrophobicContact CD2-CG 4.32Å; L44-G50 WeakPolarHBondContact O-CA 3.43Å; L44-G50 PolarHBondContact O-N 3.44Å
45	G	66.1	Low	66.1	Low	34 Å²	34	102.1 Å²	102.1	35%	0.351	53%	0.528	S	S	.	.	S	Bend	trans	154.9	162.9	173.6	0	0	0	0	0	112.9	G43 S47 N48 Q49	G43-G45 PolarHBondContact O-N 3.42Å; G45-S47 PolarHBondContact O-N 2.99Å; G45-N48 PolarHBondContact O-N 3.14Å; G45-Q49 VanDerWaalsContact C-OE1 3.24Å
46	K	65.8	Low	64.7	Low	212 Å²	212	98.7 Å²	98.7	92%	0.922	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.3	-177.4	-175	179.4	177.7	-177	0	113.8
47	S	74.3	Confident	63	Low	95 Å²	95	94.9 Å²	94.9	66%	0.664	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	21.7	179.9	-53.5	0	0	0	0	112.5	G45 Q49	G45-S47 PolarHBondContact O-N 2.99Å; S47-Q49 PolarHBondContact O-N 2.83Å
48	N	73.1	Confident	61.4	Low	56 Å²	56	98.8 Å²	98.8	30%	0.299	53%	0.526	S	S	.	.	S	Bend	trans	60.3	23.9	-175.9	-61.7	-54	0	0	0	115.1	K42 G43 G45 G50	K42-N48 HydrophobicContact CB-CB 4.12Å; K42-N48 HydrophobicContact CD-CB 4.1Å; G43-N48 CarbonylContact O-C 3.45Å; G43-N48 VanDerWaalsContact O-CA 3.25Å; G43-N48 WeakPolarHBondContact O-CA 3.47Å; G45-N48 PolarHBondContact O-N 3.14Å; N48-G50 VanDerWaalsContact C-N 3.3Å; N48-G50 PolarHBondContact O-N 3.19Å
49	Q	65.4	Low	59.9	Low	132 Å²	132	102.8 Å²	102.8	62%	0.617	55%	0.547	S	S	*	.			trans	-79.6	-6.3	-172.8	72.9	-87.3	31.8	0	0	114.9	G45 S47	G45-Q49 VanDerWaalsContact C-OE1 3.24Å; S47-Q49 PolarHBondContact O-N 2.83Å
50	G	62.6	Low	58.4	Low	23 Å²	23	106.4 Å²	106.4	24%	0.237	56%	0.564	C	S	.	*	S	Bend	trans	-66.4	158.4	-176.3	0	0	0	0	0	113	G43 L44 N48	G43-G50 WeakPolarHBondContact CA-O 3.48Å; L44-G50 WeakPolarHBondContact O-CA 3.43Å; L44-G50 PolarHBondContact O-N 3.44Å; N48-G50 VanDerWaalsContact C-N 3.3Å; N48-G50 PolarHBondContact O-N 3.19Å
51	R	62.4	Low	56.9	Low	138 Å²	138	106.8 Å²	106.8	52%	0.521	57%	0.566	S	S	.	*			trans	-65.2	135.1	173	58.4	-174.6	-69.3	142.9	17.1	111.3	E53 P54	R51-E53 PolarHBondContact NE-O 3.03Å; R51-E53 PolarHBondContact NH2-O 3.25Å; R51-P54 PolarHBondContact NH2-O 2.84Å
52	L	54.1	Low	56.1	Low	119 Å²	119	103.9 Å²	103.9	62%	0.623	57%	0.566	S	S	*	*	S	Bend	trans	-81.1	-31.4	167.4	-74	168.9	0	0	0	112.1	K42	K42-L52 VanDerWaalsContact C-CD2 3.49Å; K42-L52 WeakPolarHBondContact O-CD2 3.38Å
53	E	52.1	Low	54.7	Low	135 Å²	135	112.5 Å²	112.5	63%	0.631	60%	0.596	S	S	*	*	S	Bend	trans	-81.4	147.1	-176.9	-61	-138	155.8	0	0	112.2	R51	R51-E53 PolarHBondContact NE-O 3.03Å; R51-E53 PolarHBondContact NH2-O 3.25Å
54	P	49.9	Very low	53.8	Low	88 Å²	88	117.9 Å²	117.9	57%	0.571	61%	0.614	S	S	*	*			trans	-63.4	138.9	175.4	-18.4	30.3	0	0	0	113	R51 I56	R51-P54 PolarHBondContact NH2-O 2.84Å; P54-I56 PolarHBondContact O-N 3.47Å; P54-I56 VanDerWaalsContact O-N 3.09Å
55	I	45	Very low	52.7	Low	138 Å²	138	114.9 Å²	114.9	71%	0.708	61%	0.613	S	S	*	*			trans	-58.9	115.3	171.1	-55.6	174.9	0	0	0	108	A57	I55-A57 PolarHBondContact O-N 2.67Å
56	I	46.2	Very low	51.3	Low	114 Å²	114	124 Å²	124	59%	0.585	64%	0.643	S	S	*	*			trans	-81.3	118.7	178.8	-55.7	176.9	0	0	0	106.8	P54 V58	P54-I56 PolarHBondContact O-N 3.47Å; P54-I56 VanDerWaalsContact O-N 3.09Å; I56-V58 PolarHBondContact O-N 2.94Å
57	A	41.9	Very low	50.3	Low	75 Å²	75	117.5 Å²	117.5	62%	0.62	64%	0.636	S	S	*	*			trans	-59.6	127.3	168.4	0	0	0	0	0	108.6	I55 Q59	I55-A57 PolarHBondContact O-N 2.67Å; A57-Q59 VanDerWaalsContact C-N 3.34Å; A57-Q59 PolarHBondContact O-N 2.95Å
58	V	40.4	Very low	48.7	Very low	124 Å²	124	119.7 Å²	119.7	75%	0.752	64%	0.639	S	S	*	*			trans	-67.1	96.7	173.1	-179.5	0	0	0	0	107.3	I56	I56-V58 PolarHBondContact O-N 2.94Å
59	Q	40.6	Very low	47.1	Very low	140 Å²	140	126.1 Å²	126.1	65%	0.654	66%	0.664	S	S	*	*			trans	-86.6	106.1	161.8	-71.7	178.7	-24.9	0	0	106	A57 D61	A57-Q59 VanDerWaalsContact C-N 3.34Å; A57-Q59 PolarHBondContact O-N 2.95Å; Q59-D61 PolarHBondContact O-N 3.39Å
60	Q	41.6	Very low	46	Very low	169 Å²	169	124.3 Å²	124.3	79%	0.79	66%	0.659	S	S	*	*			trans	-83	101.4	170	-115.6	177.9	-19.4	0	0	106.8
61	D	39.1	Very low	44.8	Very low	114 Å²	114	131.4 Å²	131.4	61%	0.61	69%	0.691	S	S	*	*			trans	-91.6	128.7	175.6	-67.2	-36.2	0	0	0	109.6	Q59	Q59-D61 PolarHBondContact O-N 3.39Å
62	G	49.6	Very low	43.6	Very low	65 Å²	65	128.4 Å²	128.4	67%	0.67	69%	0.688	S	S	*	*	S	Bend	trans	129.3	164.5	172.8	0	0	0	0	0	114.6	R64	G62-R64 PolarHBondContact O-N 3.11Å
63	R	41.4	Very low	42.7	Very low	266 Å²	266	128.4 Å²	128.4	100%	1.004	69%	0.693	S	S	*	*	S	Bend	trans	-74.7	22.2	-178.1	-67.7	-177.2	177.4	175.3	-0.2	114.4	G65	R63-G65 PolarHBondContact O-N 3.29Å
64	R	50.8	Low	41.8	Very low	119 Å²	119	131.3 Å²	131.3	45%	0.449	71%	0.706	S	S	.	*			trans	-83.8	108.7	-178.4	-70	-177.3	176.3	172.5	-0.6	109	G62 E153	G62-R64 PolarHBondContact O-N 3.11Å; R64-E153 IonicContact CZ-OE1 2.77Å; R64-E153 IonicContact CZ-OE2 2.74Å; R64-E153 IonicContact NH1-OE1 2.79Å; R64-E153 PolarHBondContact NH1-OE1 3.13Å; R64-E153 IonicContact NH1-OE2 3.04Å; R64-E153 PolarHBondContact NH1-OE2 3.33Å; R64-E153 VanDerWaalsContact NH1-OE2 3.16Å; R64-E153 IonicContact NH2-OE2 3.39Å
65	G	43.5	Very low	41.4	Very low	57 Å²	57	131.3 Å²	131.3	59%	0.588	71%	0.708	S	S	*	*			trans	-65.1	157.4	174.6	0	0	0	0	0	112.3	R63 G67	R63-G65 PolarHBondContact O-N 3.29Å; G65-G67 PolarHBondContact O-N 2.77Å
66	F	37.1	Very low	41.3	Very low	226 Å²	226	129.2 Å²	129.2	99%	0.991	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	120.7	171.5	-112.2	-92.2	0	0	0	110.1
67	G	45.2	Very low	41.3	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.6	2.5	165.9	0	0	0	0	0	118.3	G65 K69	G65-G67 PolarHBondContact O-N 2.77Å; G67-K69 PolarHBondContact O-N 3.32Å
68	L	41.2	Very low	42	Very low	141 Å²	141	124.4 Å²	124.4	74%	0.738	68%	0.684	S	S	*	*			trans	-76.1	106.5	174.1	-164.6	76.6	0	0	0	110.7
69	K	38.8	Very low	43.3	Very low	191 Å²	191	126.1 Å²	126.1	83%	0.83	68%	0.684	S	S	*	*			trans	-81.4	127.6	165.2	-69.6	-178	178.3	179.7	0	107.8	G67 D71	G67-K69 PolarHBondContact O-N 3.32Å; K69-D71 PolarHBondContact O-N 3.24Å
70	L	42.5	Very low	45.4	Very low	95 Å²	95	121.3 Å²	121.3	50%	0.497	66%	0.66	S	S	.	*			trans	-61	133.8	170.1	-73	163.7	0	0	0	108.4	T72	L70-T72 PolarHBondContact O-N 3.43Å
71	D	37	Very low	47.5	Very low	172 Å²	172	117.5 Å²	117.5	92%	0.92	65%	0.645	S	S	*	*			trans	-68.4	78.6	164.6	-78.1	-29.9	0	0	0	107.7	K69 V73	K69-D71 PolarHBondContact O-N 3.24Å; D71-V73 PolarHBondContact O-N 2.63Å
72	T	38.5	Very low	49.5	Very low	75 Å²	75	116 Å²	116	46%	0.46	64%	0.642	S	S	.	*			trans	-61.3	120.2	177.6	21	0	0	0	0	109.3	L70 Q74	L70-T72 PolarHBondContact O-N 3.43Å; T72-Q74 PolarHBondContact O-N 3.25Å
73	V	35.2	Very low	51.2	Low	118 Å²	118	116.6 Å²	116.6	72%	0.715	64%	0.64	S	S	*	*			trans	-36.9	122.2	158	175.8	0	0	0	0	108.6	D71 S75	D71-V73 PolarHBondContact O-N 2.63Å; V73-S75 PolarHBondContact O-N 3.26Å
74	Q	32.5	Very low	53.3	Low	196 Å²	196	107.2 Å²	107.2	92%	0.916	62%	0.615	S	S	*	*	S	Bend	trans	-69.3	56.9	-171.5	-65.6	177.4	-11.1	0	0	113.5	T72	T72-Q74 PolarHBondContact O-N 3.25Å
75	S	41	Very low	55.2	Low	88 Å²	88	102.7 Å²	102.7	62%	0.615	60%	0.599	S	S	*	*	S	Bend	trans	-100.5	108	159.6	-69.1	0	0	0	0	107.3	V73 A77	V73-S75 PolarHBondContact O-N 3.26Å; S75-A77 WeakPolarHBondContact O-CA 3.44Å; S75-A77 PolarHBondContact O-N 3.01Å
76	S	43.5	Very low	57.3	Low	95 Å²	95	107.2 Å²	107.2	66%	0.664	61%	0.605	S	S	*	*			trans	0	86.7	170.6	46.8	0	0	0	0	114.7	G78	S76-G78 PolarHBondContact O-N 3.32Å
77	A	46.6	Very low	59.8	Low	74 Å²	74	98.8 Å²	98.8	61%	0.612	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	128.5	-165	0	0	0	0	0	113.5	S75 Q79	S75-A77 WeakPolarHBondContact O-CA 3.44Å; S75-A77 PolarHBondContact O-N 3.01Å; A77-Q79 PolarHBondContact O-N 2.9Å; A77-Q79 VanDerWaalsContact O-N 3.12Å
78	G	55.5	Low	62	Low	13 Å²	13	98.2 Å²	98.2	13%	0.134	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	7.8	164.4	0	0	0	0	0	117.3	S76 N457	S76-G78 PolarHBondContact O-N 3.32Å; G78-N457 PolarHBondContact O-ND2 3.15Å; G78-N457 VanDerWaalsContact O-ND2 3.07Å
79	Q	69	Low	64.5	Low	160 Å²	160	93.5 Å²	93.5	75%	0.748	52%	0.522	S	S	*	.			trans	-85.9	115.1	171	-68.6	-174.5	-4.8	0	0	109.6	A77	A77-Q79 PolarHBondContact O-N 2.9Å; A77-Q79 VanDerWaalsContact O-N 3.12Å
80	W	83.1	Confident	67.1	Low	40 Å²	40	88.4 Å²	88.4	15%	0.152	51%	0.508	C	S	.	.			trans	-110.2	122.5	169.2	171.7	-105.2	0	0	0	107.9	P82 C84 E85 V446 R449 K450 A453 F454 L460	W80-P82 WeakPolarHBondContact O-CD 3.07Å; W80-C84 HydrophobicContact CH2-CB 4.35Å; W80-E85 HydrophobicContact CH2-CB 4.38Å; W80-E85 HydrophobicContact CZ2-CB 3.82Å; W80-V446 HydrophobicContact CH2-CG1 3.75Å; W80-R449 HydrophobicContact CZ3-CB 4.48Å; W80-K450 HydrophobicContact CD2-CB 4.4Å; W80-K450 HydrophobicContact CD2-CG 3.88Å; W80-K450 HydrophobicContact CE3-CB 3.99Å; W80-K450 HydrophobicContact CE3-CG 3.99Å; W80-K450 HydrophobicContact CH2-CB 3.42Å; W80-K450 VanDerWaalsContact CH2-CB 3.42Å; W80-K450 HydrophobicContact CH2-CD 3.9Å; W80-K450 HydrophobicContact CH2-CG 3.61Å; W80-K450 HydrophobicContact CZ2-CB 3.87Å; W80-K450 HydrophobicContact CZ2-CD 3.46Å; W80-K450 VanDerWaalsContact CZ2-CD 3.46Å; W80-K450 HydrophobicContact CZ2-CG 3.49Å; W80-K450 VanDerWaalsContact CZ2-CG 3.49Å; W80-K450 HydrophobicContact CZ3-CB 3.48Å; W80-K450 VanDerWaalsContact CZ3-CB 3.48Å; W80-K450 HydrophobicContact CZ3-CG 3.86Å; W80-A453 HydrophobicContact CB-CB 4.04Å; W80-A453 HydrophobicContact CE3-CB 4.39Å; W80-F454 HydrophobicContact CG-CE2 4.24Å; W80-L460 HydrophobicContact CB-CD1 3.83Å; W80-L460 HydrophobicContact CB-CD2 4.28Å
81	D	85.4	Confident	69.6	Low	88 Å²	88	84.7 Å²	84.7	47%	0.471	49%	0.489	S	S	.	.			trans	-89.1	112.2	170.4	-179.7	6.3	0	0	0	109.2	A83 C84	D81-A83 PolarHBondContact O-N 3.22Å; D81-A83 VanDerWaalsContact O-N 3.14Å; D81-A83 VanDerWaalsContact OD1-CB 3.27Å; D81-A83 WeakPolarHBondContact OD1-CB 3.4Å; D81-A83 PolarHBondContact OD1-N 3.37Å; D81-C84 WeakPolarHBondContact O-CB 3.39Å; D81-C84 PolarHBondContact O-N 3.47Å; D81-C84 VanDerWaalsContact O-N 3.07Å
82	P	82.6	Confident	72.4	Confident	83 Å²	83	80.2 Å²	80.2	54%	0.539	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-59.1	-21.7	175.9	-22	34.7	0	0	0	113.8	W80 C84 E85	W80-P82 WeakPolarHBondContact O-CD 3.07Å; P82-C84 PolarHBondContact O-N 2.7Å; P82-E85 PolarHBondContact O-N 3.3Å
83	A	84.3	Confident	75.2	Confident	78 Å²	78	78.1 Å²	78.1	65%	0.645	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-70.6	-16.1	177.1	0	0	0	0	0	113.2	D81 E85	D81-A83 PolarHBondContact O-N 3.22Å; D81-A83 VanDerWaalsContact O-N 3.14Å; D81-A83 VanDerWaalsContact OD1-CB 3.27Å; D81-A83 WeakPolarHBondContact OD1-CB 3.4Å; D81-A83 PolarHBondContact OD1-N 3.37Å; A83-E85 VanDerWaalsContact C-N 3.28Å; A83-E85 PolarHBondContact O-N 2.96Å
84	C	85.2	Confident	78.2	Confident	69 Å²	69	78.4 Å²	78.4	47%	0.466	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-73.3	-16.7	174.9	-66.7	0	0	0	0	113.8	W80 D81 P82 V446	W80-C84 HydrophobicContact CH2-CB 4.35Å; D81-C84 WeakPolarHBondContact O-CB 3.39Å; D81-C84 PolarHBondContact O-N 3.47Å; D81-C84 VanDerWaalsContact O-N 3.07Å; P82-C84 PolarHBondContact O-N 2.7Å; C84-V446 VanDerWaalsContact O-CG1 3.24Å; C84-V446 WeakPolarHBondContact O-CG1 3.46Å
85	E	90.9	Very high	81.3	Confident	23 Å²	23	71.8 Å²	71.8	11%	0.107	42%	0.42	C	S	.	.			trans	-110.4	112.9	-180	-179.4	-170.1	-114.8	0	0	111.3	W80 P82 A83 L87 V446 K450	W80-E85 HydrophobicContact CH2-CB 4.38Å; W80-E85 HydrophobicContact CZ2-CB 3.82Å; P82-E85 PolarHBondContact O-N 3.3Å; A83-E85 VanDerWaalsContact C-N 3.28Å; A83-E85 PolarHBondContact O-N 2.96Å; E85-L87 HydrophobicContact CG-CD2 3.88Å; E85-L87 HydrophobicContact CG-CG 4.46Å; E85-V446 HydrophobicContact CB-CG1 4.06Å; E85-K450 WeakPolarHBondContact OE1-CD 3.33Å; E85-K450 IonicContact OE1-NZ 3.47Å; E85-K450 PolarHBondContact OE1-NZ 2.71Å; E85-K450 IonicContact OE2-NZ 3.18Å; E85-K450 PolarHBondContact OE2-NZ 3.45Å
86	E	87.7	Confident	84	Confident	153 Å²	153	68.4 Å²	68.4	72%	0.715	39%	0.394	S	S	*	.			trans	-94.4	121.9	171.9	-65	-179.7	174.6	0	0	109.9
87	L	90	Very high	86.5	Confident	49 Å²	49	69.4 Å²	69.4	26%	0.257	39%	0.388	S	S	.	.			trans	-98.8	111.4	175.9	-58.9	-179.2	0	0	0	109.7	E85 P163 F164 K464 V468	E85-L87 HydrophobicContact CG-CD2 3.88Å; E85-L87 HydrophobicContact CG-CG 4.46Å; L87-P163 HydrophobicContact CD1-CB 3.91Å; L87-P163 HydrophobicContact CD1-CG 3.87Å; L87-P163 HydrophobicContact CD2-CB 4.46Å; L87-P163 HydrophobicContact CD2-CG 3.94Å; L87-F164 HydrophobicContact CD2-CE2 3.96Å; L87-F164 HydrophobicContact CD2-CZ 4.19Å; L87-K464 HydrophobicContact CD1-CD 3.75Å; L87-V468 HydrophobicContact CD1-CG2 4.34Å
88	E	92	Very high	88.5	Confident	62 Å²	62	66.3 Å²	66.3	29%	0.29	36%	0.361	S	S	.	.			trans	-92.6	108.5	175.2	-72	167.5	-162.7	0	0	109.6	P92 N367 K443	E88-P92 WeakPolarHBondContact OE2-CD 3.4Å; E88-P92 WeakPolarHBondContact OE2-CG 3.15Å; E88-N367 PolarHBondContact O-ND2 2.97Å; E88-K443 IonicContact OE1-NZ 2.63Å; E88-K443 PolarHBondContact OE1-NZ 2.97Å; E88-K443 IonicContact OE2-NZ 2.82Å; E88-K443 PolarHBondContact OE2-NZ 3.06Å
89	I	93.8	Very high	89.6	Confident	41 Å²	41	71 Å²	71	21%	0.21	39%	0.39	C	S	.	.	S	Bend	trans	-133.9	103.2	173.2	-52.2	175	0	0	0	107	F164 V468 E471	I89-F164 HydrophobicContact CD1-CE1 3.73Å; I89-F164 HydrophobicContact CD1-CZ 4.12Å; I89-F164 HydrophobicContact CG1-CE1 4.18Å; I89-F164 HydrophobicContact CG1-CZ 4.31Å; I89-V468 HydrophobicContact CD1-CG1 4.16Å; I89-V468 HydrophobicContact CD1-CG2 4.18Å; I89-E471 HydrophobicContact CG2-CG 3.95Å
90	P	93.2	Very high	89.6	Confident	84 Å²	84	65.3 Å²	65.3	55%	0.545	37%	0.374	S	S	.	.	S	Bend	cis	-79.8	153.7	8.8	34.2	-30	0	0	0	112.7	R475	P90-R475 VanDerWaalsContact CD-NH1 3.26Å
91	E	95.1	Very high	89	Confident	18 Å²	18	67.3 Å²	67.3	8%	0.084	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-67.2	133.9	170	-55.1	94.6	125.6	0	0	110.7	N182 M186 N367	E91-N182 PolarHBondContact OE1-ND2 2.6Å; E91-N182 PolarHBondContact OE1-OD1 2.85Å; E91-M186 HydrophobicContact CB-CE 3.52Å; E91-M186 HydrophobicContact CB-CG 4.16Å; E91-M186 HydrophobicContact CB-SD 3.88Å; E91-M186 HydrophobicContact CG-CE 4.29Å; E91-M186 HydrophobicContact CG-SD 4.13Å; E91-N367 VanDerWaalsContact CD-CG 3.4Å; E91-N367 HydrophobicContact CG-CB 4.33Å; E91-N367 WeakPolarHBondContact CG-ND2 3.14Å; E91-N367 WeakPolarHBondContact OE1-CB 3.18Å; E91-N367 PolarHBondContact OE1-N 2.82Å; E91-N367 PolarHBondContact OE1-ND2 2.86Å; E91-N367 VanDerWaalsContact OE1-ND2 3.14Å; E91-N367 PolarHBondContact OE2-ND2 3.16Å
92	P	94.8	Very high	88.9	Confident	78 Å²	78	68.8 Å²	68.8	51%	0.506	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-71.4	147.8	174.1	30.4	-33.9	0	0	0	111.2	E88	E88-P92 WeakPolarHBondContact OE2-CD 3.4Å; E88-P92 WeakPolarHBondContact OE2-CG 3.15Å
93	V	97.6	Very high	88.9	Confident	30 Å²	30	64.8 Å²	64.8	18%	0.182	37%	0.367	C	S	.	.			trans	-118.5	111.1	170.5	-176.1	0	0	0	0	108.6	W95 M186 A362 I364	V93-W95 HydrophobicContact CG1-CD2 4.21Å; V93-W95 HydrophobicContact CG1-CG 4.36Å; V93-W95 HydrophobicContact CG1-CZ2 4.08Å; V93-M186 HydrophobicContact CG2-CB 3.81Å; V93-M186 HydrophobicContact CG2-CE 3.91Å; V93-M186 WeakPolarHBondContact CG2-O 3.35Å; V93-A362 HydrophobicContact CG1-CB 3.74Å; V93-I364 HydrophobicContact CB-CG2 4.5Å; V93-I364 HydrophobicContact CG1-CG2 3.94Å; V93-I364 HydrophobicContact CG2-CG2 4.26Å
94	L	97.8	Very high	89.1	Confident	125 Å²	125	65.8 Å²	65.8	65%	0.654	36%	0.362	S	S	*	.			trans	-92.9	105.3	176	-61	178.6	0	0	0	109.1	Y432	L94-Y432 HydrophobicContact CB-CE2 4.14Å; L94-Y432 WeakPolarHBondContact O-CE2 3.33Å; L94-Y432 PolarHBondContact O-OH 2.85Å
95	W	97.8	Very high	89.2	Confident	57 Å²	57	64.6 Å²	64.6	22%	0.216	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-85.4	119.4	177.4	-68.8	99.7	0	0	0	111	V93 H97 C187 M190 Q360 I361 A362 V379 K381	V93-W95 HydrophobicContact CG1-CD2 4.21Å; V93-W95 HydrophobicContact CG1-CG 4.36Å; V93-W95 HydrophobicContact CG1-CZ2 4.08Å; W95-H97 PolarHBondContact O-ND1 3.04Å; W95-C187 HydrophobicContact CZ2-CB 4.49Å; W95-M190 HydrophobicContact CH2-SD 3.84Å; W95-M190 HydrophobicContact CZ2-SD 4.07Å; W95-Q360 HydrophobicContact CD2-CG 4.37Å; W95-Q360 HydrophobicContact CE3-CB 4.14Å; W95-Q360 HydrophobicContact CE3-CG 3.66Å; W95-Q360 HydrophobicContact CZ3-CG 4.01Å; W95-I361 WeakPolarHBondContact CA-O 3.41Å; W95-A362 HydrophobicContact CD2-CB 4.04Å; W95-A362 HydrophobicContact CE3-CB 3.75Å; W95-A362 HydrophobicContact CH2-CB 4.49Å; W95-A362 HydrophobicContact CZ3-CB 3.99Å; W95-V379 HydrophobicContact CH2-CB 4.33Å; W95-V379 HydrophobicContact CH2-CG1 3.52Å; W95-V379 HydrophobicContact CZ3-CG1 4.01Å; W95-K381 HydrophobicContact CH2-CB 3.96Å; W95-K381 HydrophobicContact CH2-CD 3.88Å; W95-K381 HydrophobicContact CZ2-CD 4.22Å; W95-K381 HydrophobicContact CZ3-CB 3.76Å; W95-K381 HydrophobicContact CZ3-CD 4.25Å
96	L	97.8	Very high	89.3	Confident	16 Å²	16	64.5 Å²	64.5	8%	0.084	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.6	166.3	-177.5	66.6	0	0	0	108.6	Y355 Q360 I361 D428 F429 Y432	L96-Y355 HydrophobicContact CB-CE2 4.46Å; L96-Y355 HydrophobicContact CD2-CD2 3.85Å; L96-Y355 HydrophobicContact CD2-CE1 4.29Å; L96-Y355 HydrophobicContact CD2-CE2 3.57Å; L96-Y355 HydrophobicContact CD2-CG 4.3Å; L96-Y355 HydrophobicContact CG-CD2 4.17Å; L96-Y355 HydrophobicContact CG-CE2 3.54Å; L96-Q360 CarbonylContact O-C 3.56Å; L96-Q360 WeakPolarHBondContact O-CA 3.28Å; L96-Q360 WeakPolarHBondContact O-CB 3.13Å; L96-I361 HydrophobicContact CB-CG1 4.16Å; L96-I361 HydrophobicContact CD2-CG1 4.41Å; L96-I361 PolarHBondContact N-O 3Å; L96-I361 PolarHBondContact O-N 3.2Å; L96-D428 HydrophobicContact CD1-CB 4.43Å; L96-F429 HydrophobicContact CD2-CB 4.22Å; L96-F429 HydrophobicContact CD2-CD2 3.63Å; L96-F429 HydrophobicContact CD2-CE2 4.49Å; L96-F429 HydrophobicContact CD2-CG 4.35Å; L96-Y432 HydrophobicContact CB-CD1 4.22Å; L96-Y432 HydrophobicContact CB-CD2 3.85Å; L96-Y432 HydrophobicContact CB-CE1 4.34Å; L96-Y432 HydrophobicContact CB-CE2 3.97Å; L96-Y432 HydrophobicContact CB-CG 3.98Å; L96-Y432 HydrophobicContact CD1-CD2 4.36Å; L96-Y432 HydrophobicContact CD1-CG 4.26Å; L96-Y432 HydrophobicContact CD2-CD1 3.97Å; L96-Y432 HydrophobicContact CD2-CG 3.94Å; L96-Y432 HydrophobicContact CG-CD2 4.49Å; L96-Y432 HydrophobicContact CG-CG 4.28Å
97	H	96.1	Very high	89.6	Confident	116 Å²	116	59.5 Å²	59.5	54%	0.537	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.6	177.7	-65.1	73.8	0	0	0	109.5	W95 P99 Y355	W95-H97 PolarHBondContact O-ND1 3.04Å; H97-P99 VanDerWaalsContact C-CD 3.42Å; H97-P99 WeakPolarHBondContact O-CD 3.48Å; H97-Y355 PolarHBondContact O-OH 3.4Å
98	N	89.1	Confident	89.8	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.048	34%	0.339	C	S	.	.			trans	-104.6	85.6	176.6	-171.8	5	0	0	0	111.7	G100 Y355 K356 Q359 R384	N98-G100 PolarHBondContact OD1-N 2.98Å; N98-Y355 WeakPolarHBondContact CA-OH 3.43Å; N98-Y355 HydrophobicContact CB-CD2 3.82Å; N98-Y355 HydrophobicContact CB-CE1 4.41Å; N98-Y355 HydrophobicContact CB-CE2 3.3Å; N98-Y355 PolarHBondContact ND2-O 3.49Å; N98-K356 WeakPolarHBondContact ND2-CA 3.41Å; N98-Q359 PolarHBondContact N-O 3.45Å; N98-R384 PolarHBondContact O-NH2 3.17Å
99	P	77.9	Confident	90	Very high	113 Å²	113	63.4 Å²	63.4	73%	0.734	36%	0.36	S	S	*	.			trans	-78.9	-19.5	173.9	33.1	-36	0	0	0	113.3	H97	H97-P99 VanDerWaalsContact C-CD 3.42Å; H97-P99 WeakPolarHBondContact O-CD 3.48Å
100	G	69.4	Low	90	Very high	40 Å²	40	66.3 Å²	66.3	41%	0.412	37%	0.373	S	S	.	.	S	Bend	trans	-81.4	-156.8	-169.1	0	0	0	0	0	115.3	N98 R102	N98-G100 PolarHBondContact OD1-N 2.98Å; G100-R102 PolarHBondContact O-N 3.45Å
101	S	70.9	Confident	90.1	Very high	81 Å²	81	62.3 Å²	62.3	57%	0.566	35%	0.347	S	S	*	.	S	Bend	trans	-52.1	126.2	177.2	-56.1	0	0	0	0	110.6	K356	S101-K356 WeakPolarHBondContact O-CD 3.16Å
102	R	82.8	Confident	90.2	Very high	119 Å²	119	64.6 Å²	64.6	45%	0.449	36%	0.359	S	S	.	.			trans	-90.3	178.2	-172.8	-47.3	171.5	171	-173.3	5.2	110.2	G100 D104 A105 R384 E388	G100-R102 PolarHBondContact O-N 3.45Å; R102-D104 VanDerWaalsContact CB-OD1 3.31Å; R102-D104 WeakPolarHBondContact CB-OD1 3.48Å; R102-D104 PolarHBondContact O-N 3.24Å; R102-D104 VanDerWaalsContact O-N 3.12Å; R102-A105 WeakPolarHBondContact O-CB 3.39Å; R102-A105 PolarHBondContact O-N 2.95Å; R102-A105 VanDerWaalsContact O-N 3.1Å; R102-R384 VanDerWaalsContact CD-NH1 3.28Å; R102-E388 IonicContact NH1-OE1 2.6Å; R102-E388 PolarHBondContact NH1-OE1 2.91Å
103	A	83.5	Confident	90.2	Very high	0 Å²	0	64 Å²	64	0%	0	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-55.9	-25.4	178.2	0	0	0	0	0	114.5	A105 Y106 K356 E388 T389 I392	A103-A105 PolarHBondContact O-N 2.92Å; A103-Y106 PolarHBondContact O-N 3.48Å; A103-K356 HydrophobicContact CB-CB 4.48Å; A103-K356 PolarHBondContact N-O 3.2Å; A103-E388 CarbonylContact C-O 3.6Å; A103-E388 WeakPolarHBondContact CB-O 3.33Å; A103-T389 HydrophobicContact CB-CG2 4.4Å; A103-I392 HydrophobicContact CB-CD1 3.72Å
104	D	87.3	Confident	90.1	Very high	99 Å²	99	63.6 Å²	63.6	53%	0.529	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13.7	178.9	61.1	-12.5	0	0	0	113.9	R102 Y106 E388	R102-D104 VanDerWaalsContact CB-OD1 3.31Å; R102-D104 WeakPolarHBondContact CB-OD1 3.48Å; R102-D104 PolarHBondContact O-N 3.24Å; R102-D104 VanDerWaalsContact O-N 3.12Å; D104-Y106 PolarHBondContact O-N 3.2Å; D104-E388 HydrophobicContact CB-CB 4.42Å; D104-E388 HydrophobicContact CB-CG 4.3Å; D104-E388 PolarHBondContact N-O 2.85Å
105	A	88.3	Confident	90	Very high	44 Å²	44	59.2 Å²	59.2	36%	0.364	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-71.2	-11.3	172.8	0	0	0	0	0	113.2	R102 A103 Q110	R102-A105 WeakPolarHBondContact O-CB 3.39Å; R102-A105 PolarHBondContact O-N 2.95Å; R102-A105 VanDerWaalsContact O-N 3.1Å; A103-A105 PolarHBondContact O-N 2.92Å; A105-Q110 PolarHBondContact O-OE1 2.9Å
106	Y	91.9	Very high	89.8	Confident	20 Å²	20	59.5 Å²	59.5	8%	0.078	35%	0.347	C	S	.	.			trans	-117.9	111.1	-171.9	-62.8	-72.2	0	0	0	112	A103 D104 L111 K356 F418 E422	A103-Y106 PolarHBondContact O-N 3.48Å; D104-Y106 PolarHBondContact O-N 3.2Å; Y106-L111 HydrophobicContact CD1-CD2 3.79Å; Y106-L111 HydrophobicContact CD1-CG 4.38Å; Y106-L111 HydrophobicContact CG-CD2 4.03Å; Y106-L111 HydrophobicContact CG-CG 4.44Å; Y106-K356 HydrophobicContact CE2-CD 4.43Å; Y106-K356 HydrophobicContact CE2-CG 4.05Å; Y106-F418 HydrophobicContact CD1-CE2 4.37Å; Y106-F418 AromaticContact CE1-CE2 3.89Å; Y106-F418 HydrophobicContact CE1-CE2 3.89Å; Y106-F418 AromaticContact CE1-CZ 3.76Å; Y106-F418 HydrophobicContact CE1-CZ 3.76Å; Y106-F418 AromaticContact CZ-CZ 3.87Å; Y106-E422 WeakPolarHBondContact CE1-OE1 3.31Å; Y106-E422 PolarHBondContact OH-OE1 3.2Å
107	S	93.7	Very high	89.6	Confident	48 Å²	48	61.6 Å²	61.6	34%	0.336	36%	0.36	S	S	.	.			trans	-83.2	162.6	166.6	79.7	0	0	0	0	111.5	D109 Q110 L111	S107-D109 VanDerWaalsContact C-N 3.32Å; S107-D109 PolarHBondContact O-N 3.47Å; S107-Q110 PolarHBondContact O-N 3.33Å; S107-Q110 WeakPolarHBondContact OG-CG 3.13Å; S107-Q110 PolarHBondContact OG-N 3.11Å; S107-Q110 PolarHBondContact OG-OE1 2.92Å; S107-L111 WeakPolarHBondContact O-CG 3.47Å; S107-L111 PolarHBondContact O-N 2.98Å; S107-L111 VanDerWaalsContact O-N 3.08Å
108	L	95.6	Very high	89.4	Confident	57 Å²	57	57 Å²	57	30%	0.298	34%	0.344	S	S	.	.	H	α-helix	trans	-54.2	-49.5	172.5	173.7	60.5	0	0	0	111	Q110 L111 M112 A394 Y395	L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.47Å; L108-L111 PolarHBondContact O-N 3.36Å; L108-M112 HydrophobicContact CD1-CG 3.87Å; L108-M112 HydrophobicContact CD1-SD 4.14Å; L108-M112 HydrophobicContact CG-CG 4.25Å; L108-M112 VanDerWaalsContact O-CG 3.28Å; L108-M112 WeakPolarHBondContact O-CG 3.12Å; L108-M112 PolarHBondContact O-N 2.71Å; L108-A394 HydrophobicContact CD2-CB 4.41Å; L108-Y395 VanDerWaalsContact CD1-CA 3.48Å; L108-Y395 HydrophobicContact CD1-CD2 4.28Å
109	D	94.8	Very high	89.5	Confident	137 Å²	137	64.2 Å²	64.2	73%	0.733	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-38.9	-177	-63.1	-33.3	0	0	0	112.7	S107 G113	S107-D109 VanDerWaalsContact C-N 3.32Å; S107-D109 PolarHBondContact O-N 3.47Å; D109-G113 PolarHBondContact O-N 3.16Å
110	Q	94.3	Very high	90.1	Very high	102 Å²	102	62 Å²	62	48%	0.477	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-50.2	175.3	-72.5	169.5	-44.9	0	0	110.9	A105 S107 L108 M112 G113 H114	A105-Q110 PolarHBondContact O-OE1 2.9Å; S107-Q110 PolarHBondContact O-N 3.33Å; S107-Q110 WeakPolarHBondContact OG-CG 3.13Å; S107-Q110 PolarHBondContact OG-N 3.11Å; S107-Q110 PolarHBondContact OG-OE1 2.92Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.47Å; Q110-M112 VanDerWaalsContact C-N 3.32Å; Q110-M112 PolarHBondContact O-N 3.26Å; Q110-G113 PolarHBondContact O-N 2.91Å; Q110-H114 PolarHBondContact O-CD2 2.86Å
111	L	96.6	Very high	91.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-32.9	-178.6	-69.3	170.5	0	0	0	112.8	Y106 S107 L108 G113 H114 L353 I392 Y395 F418	Y106-L111 HydrophobicContact CD1-CD2 3.79Å; Y106-L111 HydrophobicContact CD1-CG 4.38Å; Y106-L111 HydrophobicContact CG-CD2 4.03Å; Y106-L111 HydrophobicContact CG-CG 4.44Å; S107-L111 WeakPolarHBondContact O-CG 3.47Å; S107-L111 PolarHBondContact O-N 2.98Å; S107-L111 VanDerWaalsContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 3.36Å; L111-G113 PolarHBondContact O-N 3.32Å; L111-H114 VanDerWaalsContact O-CB 3.26Å; L111-H114 WeakPolarHBondContact O-CB 3.24Å; L111-H114 PolarHBondContact O-N 2.86Å; L111-L353 HydrophobicContact CD2-CD2 4.03Å; L111-I392 HydrophobicContact CD1-CG1 3.91Å; L111-Y395 HydrophobicContact CB-CD1 3.74Å; L111-Y395 HydrophobicContact CB-CD2 3.63Å; L111-Y395 HydrophobicContact CB-CE1 3.98Å; L111-Y395 HydrophobicContact CB-CE2 3.93Å; L111-Y395 HydrophobicContact CB-CG 3.53Å; L111-Y395 HydrophobicContact CD1-CD1 3.73Å; L111-Y395 HydrophobicContact CD1-CG 3.8Å; L111-Y395 HydrophobicContact CD2-CD1 4.43Å; L111-Y395 HydrophobicContact CD2-CE1 4.47Å; L111-Y395 HydrophobicContact CG-CD1 4.18Å; L111-Y395 HydrophobicContact CG-CG 4.27Å; L111-Y395 WeakPolarHBondContact O-CE2 3.32Å; L111-Y395 PolarHBondContact O-OH 3.4Å; L111-F418 HydrophobicContact CD2-CD2 4.09Å; L111-F418 HydrophobicContact CD2-CE2 3.79Å
112	M	96.6	Very high	92	Very high	66 Å²	66	65.6 Å²	65.6	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-32.4	173.2	-72.3	-57.3	-64.4	0	0	112	L108 Q110 H114 L115 Y395 T398 M402	L108-M112 HydrophobicContact CD1-CG 3.87Å; L108-M112 HydrophobicContact CD1-SD 4.14Å; L108-M112 HydrophobicContact CG-CG 4.25Å; L108-M112 VanDerWaalsContact O-CG 3.28Å; L108-M112 WeakPolarHBondContact O-CG 3.12Å; L108-M112 PolarHBondContact O-N 2.71Å; Q110-M112 VanDerWaalsContact C-N 3.32Å; Q110-M112 PolarHBondContact O-N 3.26Å; M112-H114 PolarHBondContact O-N 3.44Å; M112-L115 HydrophobicContact CE-CD1 3.63Å; M112-L115 PolarHBondContact O-N 3.37Å; M112-L115 HydrophobicContact SD-CD1 3.79Å; M112-Y395 HydrophobicContact CG-CD2 4.45Å; M112-Y395 HydrophobicContact SD-CD2 3.8Å; M112-Y395 HydrophobicContact SD-CE2 3.92Å; M112-T398 HydrophobicContact CE-CG2 3.94Å; M112-T398 HydrophobicContact SD-CG2 3.76Å; M112-M402 HydrophobicContact CE-SD 4.4Å
113	G	95.3	Very high	92.4	Very high	64 Å²	64	62.8 Å²	62.8	66%	0.66	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9	172.9	0	0	0	0	0	114.6	D109 Q110 L111	D109-G113 PolarHBondContact O-N 3.16Å; Q110-G113 PolarHBondContact O-N 2.91Å; L111-G113 PolarHBondContact O-N 3.32Å
114	H	95	Very high	92.7	Very high	23 Å²	23	62.9 Å²	62.9	11%	0.106	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.7	179.4	-65.1	-157.5	0	0	0	112.7	Q110 L111 M112 F418 N419 E422	Q110-H114 PolarHBondContact O-CD2 2.86Å; L111-H114 VanDerWaalsContact O-CB 3.26Å; L111-H114 WeakPolarHBondContact O-CB 3.24Å; L111-H114 PolarHBondContact O-N 2.86Å; M112-H114 PolarHBondContact O-N 3.44Å; H114-F418 AromaticContact CE1-CE2 3.65Å; H114-F418 AromaticContact CE1-CZ 3.52Å; H114-F418 AromaticContact ND1-CD2 3.49Å; H114-F418 WeakPolarHBondContact ND1-CD2 3.49Å; H114-F418 AromaticContact ND1-CE1 3.83Å; H114-F418 AromaticContact ND1-CE2 3.25Å; H114-F418 WeakPolarHBondContact ND1-CE2 3.44Å; H114-F418 AromaticContact ND1-CG 3.89Å; H114-F418 AromaticContact ND1-CZ 3.42Å; H114-F418 WeakPolarHBondContact ND1-CZ 3.49Å; H114-N419 HydrophobicContact CB-CB 4.24Å; H114-E422 IonicContact CE1-OE1 2.75Å; H114-E422 IonicContact CE1-OE2 2.99Å; H114-E422 PolarHBondContact CE1-OE2 3.05Å; H114-E422 IonicContact ND1-OE2 3.99Å; H114-E422 IonicContact NE2-OE2 3.4Å; H114-E422 PolarHBondContact NE2-OE2 3.33Å
115	L	95	Very high	92.8	Very high	32 Å²	32	63.6 Å²	63.6	17%	0.168	36%	0.357	C	S	.	.			trans	-68.4	133.7	-178.7	-75	168	0	0	0	111.2	M112 Y395 V399 M402 V414 E416 I417	M112-L115 HydrophobicContact CE-CD1 3.63Å; M112-L115 PolarHBondContact O-N 3.37Å; M112-L115 HydrophobicContact SD-CD1 3.79Å; L115-Y395 HydrophobicContact CD1-CE2 3.89Å; L115-Y395 HydrophobicContact CD2-CE2 4.15Å; L115-Y395 WeakPolarHBondContact CD2-OH 3.46Å; L115-Y395 HydrophobicContact CG-CE2 3.84Å; L115-Y395 VanDerWaalsContact CG-OH 3.26Å; L115-Y395 WeakPolarHBondContact CG-OH 3.5Å; L115-V399 HydrophobicContact CD1-CG2 4.16Å; L115-V399 HydrophobicContact CD2-CG2 3.79Å; L115-M402 HydrophobicContact CD1-CE 4.4Å; L115-M402 HydrophobicContact CD1-SD 4.04Å; L115-V414 HydrophobicContact CD2-CG1 3.57Å; L115-E416 WeakPolarHBondContact CA-O 3.3Å; L115-I417 HydrophobicContact CD2-CG1 4.23Å
116	V	94.8	Very high	92.8	Very high	63 Å²	63	64.2 Å²	64.2	38%	0.382	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	167	-178.6	0	0	0	0	107.7	L415 E416	V116-L415 PolarHBondContact O-N 2.96Å; V116-E416 HydrophobicContact CB-CB 3.88Å; V116-E416 HydrophobicContact CB-CG 3.89Å; V116-E416 HydrophobicContact CG1-CG 4.48Å; V116-E416 HydrophobicContact CG2-CB 4.06Å; V116-E416 HydrophobicContact CG2-CG 4.19Å; V116-E416 PolarHBondContact N-O 3.42Å; V116-E416 PolarHBondContact O-N 2.71Å
117	T	93.1	Very high	92.9	Very high	60 Å²	60	63.6 Å²	63.6	37%	0.368	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	157.3	174	65.3	0	0	0	0	111.5	M402 N412 D413 V414	T117-M402 HydrophobicContact CG2-CE 4.31Å; T117-N412 WeakPolarHBondContact CB-OD1 3.42Å; T117-N412 PolarHBondContact OG1-OD1 3.02Å; T117-D413 CarbonylContact C-O 3.52Å; T117-D413 WeakPolarHBondContact CA-O 3.39Å; T117-D413 WeakPolarHBondContact CB-O 3.25Å; T117-V414 HydrophobicContact CG2-CG2 4.37Å
118	G	92.6	Very high	93	Very high	19 Å²	19	63.9 Å²	63.9	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-167	177.5	0	0	0	0	0	112.4	K120 D413	G118-K120 PolarHBondContact O-N 2.85Å; G118-D413 PolarHBondContact N-O 3.07Å; G118-D413 WeakPolarHBondContact O-CB 3.23Å; G118-D413 PolarHBondContact O-N 3.13Å
119	E	91.1	Very high	93	Very high	161 Å²	161	66 Å²	66	75%	0.752	37%	0.369	S	S	*	.	S	Bend	trans	-61.7	136.5	179.1	-171.2	-177.5	176.2	0	0	111.3	K121	E119-K121 PolarHBondContact O-N 2.85Å
120	K	90	Very high	93.1	Very high	67 Å²	67	59.9 Å²	59.9	29%	0.291	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-57.6	123.5	178.8	-174.8	173.4	-175.1	173.2	0	111.5	G118 D413	G118-K120 PolarHBondContact O-N 2.85Å; K120-D413 HydrophobicContact CB-CB 3.97Å; K120-D413 HydrophobicContact CG-CB 4.45Å
121	K	89.3	Confident	93.2	Very high	69 Å²	69	55.3 Å²	55.3	30%	0.3	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-70.8	135.7	176.6	-69.1	-170.4	-177.6	-167.8	0	111.4	E119 E127 I312 L415	E119-K121 PolarHBondContact O-N 2.85Å; K121-E127 WeakPolarHBondContact CD-OE1 3.41Å; K121-E127 IonicContact NZ-OE1 2.75Å; K121-E127 PolarHBondContact NZ-OE1 3.28Å; K121-E127 IonicContact NZ-OE2 3.6Å; K121-I312 HydrophobicContact CB-CD1 3.94Å; K121-I312 WeakPolarHBondContact O-CG2 3.14Å; K121-L415 HydrophobicContact CG-CD2 4.08Å
122	L	89.9	Confident	93.2	Very high	127 Å²	127	58.8 Å²	58.8	67%	0.665	33%	0.333	S	S	*	.			trans	-120.8	11.6	176.1	-60.6	178.5	0	0	0	112.9	I309	L122-I309 WeakPolarHBondContact O-CG2 3.46Å
123	T	91.4	Very high	93.2	Very high	60 Å²	60	59.3 Å²	59.3	37%	0.368	34%	0.342	S	S	.	.			trans	-148.9	154.1	173.7	-175.6	0	0	0	0	110.1	D125	T123-D125 VanDerWaalsContact C-N 3.33Å; T123-D125 HydrophobicContact CG2-CB 3.92Å; T123-D125 WeakPolarHBondContact OG1-CB 3.22Å; T123-D125 PolarHBondContact OG1-N 3.47Å; T123-D125 PolarHBondContact OG1-OD2 3.01Å
124	L	90.3	Very high	93.2	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	33%	0.327	C	S	.	.			trans	-90.3	0.6	167.5	-67.5	-179.9	0	0	0	112.1	G126 E127 N308 I312 F343 T344	L124-G126 PolarHBondContact O-N 2.72Å; L124-E127 HydrophobicContact CD2-CG 4.29Å; L124-E127 WeakPolarHBondContact O-CB 3.39Å; L124-E127 WeakPolarHBondContact O-CG 3.26Å; L124-E127 PolarHBondContact O-N 3.35Å; L124-N308 WeakPolarHBondContact CD1-O 3.25Å; L124-N308 WeakPolarHBondContact CG-O 3.27Å; L124-I312 HydrophobicContact CD2-CD1 3.93Å; L124-I312 HydrophobicContact CD2-CG1 3.93Å; L124-I312 HydrophobicContact CG-CD1 4.44Å; L124-F343 HydrophobicContact CD1-CD2 4.27Å; L124-T344 HydrophobicContact CD2-CG2 3.55Å
125	D	88.7	Confident	93.2	Very high	114 Å²	114	57.8 Å²	57.8	61%	0.61	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	126.2	179.2	-64.4	-41.1	0	0	0	110.6	T123	T123-D125 VanDerWaalsContact C-N 3.33Å; T123-D125 HydrophobicContact CG2-CB 3.92Å; T123-D125 WeakPolarHBondContact OG1-CB 3.22Å; T123-D125 PolarHBondContact OG1-N 3.47Å; T123-D125 PolarHBondContact OG1-OD2 3.01Å
126	G	89.4	Confident	93.1	Very high	57 Å²	57	56.5 Å²	56.5	59%	0.588	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-3.6	-179.4	0	0	0	0	0	115.8	L124 T128	L124-G126 PolarHBondContact O-N 2.72Å; G126-T128 PolarHBondContact O-N 2.96Å; G126-T128 PolarHBondContact O-OG1 3.25Å
127	E	93.6	Very high	93	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.028	32%	0.324	C	S	.	.			trans	-72.9	60.8	175.3	-65.4	-70.5	-162.8	0	0	112.6	K121 L124 L136 F343 P345	K121-E127 WeakPolarHBondContact CD-OE1 3.41Å; K121-E127 IonicContact NZ-OE1 2.75Å; K121-E127 PolarHBondContact NZ-OE1 3.28Å; K121-E127 IonicContact NZ-OE2 3.6Å; L124-E127 HydrophobicContact CD2-CG 4.29Å; L124-E127 WeakPolarHBondContact O-CB 3.39Å; L124-E127 WeakPolarHBondContact O-CG 3.26Å; L124-E127 PolarHBondContact O-N 3.35Å; E127-L136 HydrophobicContact CB-CD2 4.47Å; E127-F343 HydrophobicContact CB-CB 4.03Å; E127-P345 WeakPolarHBondContact OE2-CD 3.44Å
128	T	95.5	Very high	93	Very high	55 Å²	55	59.2 Å²	59.2	34%	0.337	32%	0.323	S	S	.	.			trans	-105.5	6.9	-172.1	57.8	0	0	0	0	112.7	G126 Y130 C131 P133 L136	G126-T128 PolarHBondContact O-N 2.96Å; G126-T128 PolarHBondContact O-OG1 3.25Å; T128-Y130 PolarHBondContact O-N 3.28Å; T128-C131 CarbonylContact C-O 3.55Å; T128-P133 HydrophobicContact CG2-CB 3.87Å; T128-P133 HydrophobicContact CG2-CG 4.05Å; T128-L136 HydrophobicContact CG2-CD2 3.67Å
129	R	95.2	Very high	92.9	Very high	102 Å²	102	58.4 Å²	58.4	39%	0.385	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.9	176.4	-75.5	-169.3	-88	-173.4	-18.4	113	E416	R129-E416 IonicContact CZ-OE1 3.22Å; R129-E416 IonicContact NH1-OE1 2.73Å; R129-E416 PolarHBondContact NH1-OE1 3.12Å; R129-E416 IonicContact NH1-OE2 3Å; R129-E416 IonicContact NH2-OE1 2.94Å; R129-E416 PolarHBondContact NH2-OE1 3Å
130	Y	97	Very high	92.8	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	14.7	-170.7	-55.5	-64.3	0	0	0	113.1	T128 F343 P345 V348 L423 L430 I433 N437	T128-Y130 PolarHBondContact O-N 3.28Å; Y130-F343 WeakPolarHBondContact CD2-O 3.43Å; Y130-P345 HydrophobicContact CE2-CB 4.21Å; Y130-P345 HydrophobicContact CE2-CG 4.31Å; Y130-V348 HydrophobicContact CD1-CG1 3.9Å; Y130-V348 HydrophobicContact CD1-CG2 4.36Å; Y130-V348 HydrophobicContact CD2-CB 4.1Å; Y130-V348 HydrophobicContact CD2-CG1 4.35Å; Y130-V348 HydrophobicContact CD2-CG2 3.69Å; Y130-V348 HydrophobicContact CE1-CB 4.45Å; Y130-V348 HydrophobicContact CE1-CG1 3.76Å; Y130-V348 HydrophobicContact CE2-CB 4.03Å; Y130-V348 HydrophobicContact CE2-CG1 4.24Å; Y130-V348 HydrophobicContact CE2-CG2 4.14Å; Y130-V348 HydrophobicContact CG-CB 4.34Å; Y130-V348 HydrophobicContact CG-CG1 4.19Å; Y130-V348 HydrophobicContact CG-CG2 3.81Å; Y130-L423 HydrophobicContact CE1-CD2 3.9Å; Y130-L430 HydrophobicContact CD1-CD1 3.88Å; Y130-L430 HydrophobicContact CE1-CD1 3.93Å; Y130-I433 HydrophobicContact CD1-CG2 4.24Å; Y130-I433 HydrophobicContact CG-CG2 4.3Å; Y130-N437 WeakPolarHBondContact O-CB 3.49Å; Y130-N437 PolarHBondContact O-ND2 3.49Å
131	C	96.6	Very high	92.7	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.041	29%	0.287	C	S	.	.	S	Bend	trans	-158	159.4	173.8	68.5	0	0	0	0	110.5	T128 F343 N437	T128-C131 CarbonylContact C-O 3.55Å; C131-F343 HydrophobicContact CB-CD1 3.83Å; C131-F343 HydrophobicContact CB-CE1 3.66Å; C131-F343 VanDerWaalsContact SG-CD1 3.53Å; C131-N437 HydrophobicContact CB-CB 4.05Å
132	D	96.4	Very high	92.4	Very high	72 Å²	72	49.2 Å²	49.2	39%	0.385	28%	0.278	S	S	.	.			trans	-60.7	127.8	171	-179.4	-26.4	0	0	0	109.7	A134 I135 L136 N438	D132-A134 PolarHBondContact O-N 2.78Å; D132-A134 VanDerWaalsContact O-N 3.09Å; D132-A134 WeakPolarHBondContact OD1-CB 3.34Å; D132-A134 PolarHBondContact OD1-N 3.46Å; D132-I135 HydrophobicContact CB-CB 4.36Å; D132-I135 HydrophobicContact CB-CG1 3.89Å; D132-I135 WeakPolarHBondContact O-CB 3.49Å; D132-I135 PolarHBondContact O-N 2.7Å; D132-L136 PolarHBondContact O-N 3.05Å; D132-N438 WeakPolarHBondContact CB-OD1 3.35Å; D132-N438 PolarHBondContact N-OD1 3.49Å
133	P	96.5	Very high	92	Very high	77 Å²	77	44.5 Å²	44.5	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-48.8	-36.4	176.7	-27.1	31.6	0	0	0	114.5	T128 I135 H137	T128-P133 HydrophobicContact CG2-CB 3.87Å; T128-P133 HydrophobicContact CG2-CG 4.05Å; P133-I135 VanDerWaalsContact C-N 3.33Å; P133-I135 PolarHBondContact O-N 3.47Å; P133-H137 WeakPolarHBondContact O-CB 3.33Å; P133-H137 PolarHBondContact O-N 3.09Å
134	A	95.3	Very high	91.3	Very high	43 Å²	43	44.7 Å²	44.7	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-36.5	178.3	0	0	0	0	0	111.8	D132 H138	D132-A134 PolarHBondContact O-N 2.78Å; D132-A134 VanDerWaalsContact O-N 3.09Å; D132-A134 WeakPolarHBondContact OD1-CB 3.34Å; D132-A134 PolarHBondContact OD1-N 3.46Å; A134-H138 VanDerWaalsContact O-CB 3.26Å; A134-H138 WeakPolarHBondContact O-CB 3.43Å; A134-H138 PolarHBondContact O-CD2 3.32Å; A134-H138 PolarHBondContact O-N 3.4Å
135	I	94.6	Very high	90.4	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.062	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-49.5	178.6	-64.7	-62.2	0	0	0	110.5	D132 P133 H137 H138 I139 K442 I445	D132-I135 HydrophobicContact CB-CB 4.36Å; D132-I135 HydrophobicContact CB-CG1 3.89Å; D132-I135 WeakPolarHBondContact O-CB 3.49Å; D132-I135 PolarHBondContact O-N 2.7Å; P133-I135 VanDerWaalsContact C-N 3.33Å; P133-I135 PolarHBondContact O-N 3.47Å; I135-H137 PolarHBondContact O-N 3.4Å; I135-H138 PolarHBondContact O-N 2.75Å; I135-I139 HydrophobicContact CG2-CD1 3.75Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 2.93Å; I135-K442 HydrophobicContact CD1-CD 4.46Å; I135-K442 HydrophobicContact CD1-CG 3.52Å; I135-I445 HydrophobicContact CD1-CD1 3.98Å; I135-I445 HydrophobicContact CG2-CD1 4.4Å
136	L	94.1	Very high	89.6	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-57.4	-51.7	177.2	179.2	63.1	0	0	0	111.1	E127 T128 D132 H138 I139 L140 F343	E127-L136 HydrophobicContact CB-CD2 4.47Å; T128-L136 HydrophobicContact CG2-CD2 3.67Å; D132-L136 PolarHBondContact O-N 3.05Å; L136-H138 VanDerWaalsContact C-N 3.31Å; L136-H138 PolarHBondContact O-N 3.18Å; L136-I139 PolarHBondContact O-N 2.73Å; L136-L140 HydrophobicContact CD1-CD1 4.02Å; L136-L140 HydrophobicContact CD1-CG 4.17Å; L136-L140 HydrophobicContact CG-CD1 4.03Å; L136-L140 HydrophobicContact CG-CG 4.5Å; L136-L140 WeakPolarHBondContact O-CG 3.17Å; L136-L140 PolarHBondContact O-N 3.04Å; L136-F343 HydrophobicContact CD1-CD2 3.87Å; L136-F343 HydrophobicContact CD1-CE2 4.03Å; L136-F343 HydrophobicContact CD1-CG 4.32Å
137	H	93.1	Very high	88.7	Confident	106 Å²	106	46.1 Å²	46.1	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-43.3	178.8	175	-103.3	0	0	0	112.1	P133 I135 N141	P133-H137 WeakPolarHBondContact O-CB 3.33Å; P133-H137 PolarHBondContact O-N 3.09Å; I135-H137 PolarHBondContact O-N 3.4Å; H137-N141 PolarHBondContact CD2-ND2 3.35Å; H137-N141 PolarHBondContact CE1-ND2 3.33Å; H137-N141 PolarHBondContact ND1-ND2 3.22Å; H137-N141 PolarHBondContact NE2-ND2 3.32Å; H137-N141 VanDerWaalsContact O-CB 3.31Å; H137-N141 WeakPolarHBondContact O-CB 3.48Å; H137-N141 VanDerWaalsContact O-CG 3.28Å; H137-N141 PolarHBondContact O-N 3.4Å; H137-N141 PolarHBondContact O-ND2 3.26Å
138	H	92.2	Very high	87.6	Confident	75 Å²	75	51.3 Å²	51.3	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-34.4	177.9	-74.7	-43.8	0	0	0	113.6	A134 I135 L136 A142 I445	A134-H138 VanDerWaalsContact O-CB 3.26Å; A134-H138 WeakPolarHBondContact O-CB 3.43Å; A134-H138 PolarHBondContact O-CD2 3.32Å; A134-H138 PolarHBondContact O-N 3.4Å; I135-H138 PolarHBondContact O-N 2.75Å; L136-H138 VanDerWaalsContact C-N 3.31Å; L136-H138 PolarHBondContact O-N 3.18Å; H138-A142 WeakPolarHBondContact O-CB 3.44Å; H138-A142 PolarHBondContact O-N 3.12Å; H138-I445 HydrophobicContact CB-CD1 3.48Å; H138-I445 VanDerWaalsContact CB-CD1 3.48Å; H138-I445 HydrophobicContact CB-CG1 3.95Å; H138-I445 HydrophobicContact CB-CG2 4.48Å
139	I	91.4	Very high	86.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-50.9	173.7	-69.4	164.9	0	0	0	109.9	I135 L136 N141 A142 K143 F343 I445	I135-I139 HydrophobicContact CG2-CD1 3.75Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 2.93Å; L136-I139 PolarHBondContact O-N 2.73Å; I139-N141 PolarHBondContact O-N 3.36Å; I139-A142 PolarHBondContact O-N 2.96Å; I139-K143 HydrophobicContact CG2-CD 4.21Å; I139-K143 WeakPolarHBondContact O-CG 3.35Å; I139-K143 PolarHBondContact O-N 3.17Å; I139-F343 HydrophobicContact CD1-CE2 4.4Å; I139-F343 HydrophobicContact CD1-CZ 3.9Å; I139-I445 HydrophobicContact CG1-CD1 4.12Å; I139-I445 HydrophobicContact CG1-CG1 3.74Å
140	L	89	Confident	85.7	Confident	18 Å²	18	47.7 Å²	47.7	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-46.4	-178.6	-66	177.4	0	0	0	111.1	L136 K143 T144 N308	L136-L140 HydrophobicContact CD1-CD1 4.02Å; L136-L140 HydrophobicContact CD1-CG 4.17Å; L136-L140 HydrophobicContact CG-CD1 4.03Å; L136-L140 HydrophobicContact CG-CG 4.5Å; L136-L140 WeakPolarHBondContact O-CG 3.17Å; L136-L140 PolarHBondContact O-N 3.04Å; L140-K143 PolarHBondContact O-N 2.94Å; L140-T144 PolarHBondContact O-N 2.8Å; L140-N308 HydrophobicContact CD2-CB 4.22Å
141	N	87.2	Confident	84.7	Confident	73 Å²	73	50.6 Å²	50.6	39%	0.39	28%	0.278	S	S	.	.	H	α-helix	trans	-68.2	-35.2	176.3	-73	-26.6	0	0	0	113.6	H137 I139 K143 T144	H137-N141 PolarHBondContact CD2-ND2 3.35Å; H137-N141 PolarHBondContact CE1-ND2 3.33Å; H137-N141 PolarHBondContact ND1-ND2 3.22Å; H137-N141 PolarHBondContact NE2-ND2 3.32Å; H137-N141 VanDerWaalsContact O-CB 3.31Å; H137-N141 WeakPolarHBondContact O-CB 3.48Å; H137-N141 VanDerWaalsContact O-CG 3.28Å; H137-N141 PolarHBondContact O-N 3.4Å; H137-N141 PolarHBondContact O-ND2 3.26Å; I139-N141 PolarHBondContact O-N 3.36Å; N141-K143 VanDerWaalsContact C-N 3.25Å; N141-K143 PolarHBondContact O-N 2.95Å; N141-T144 PolarHBondContact O-N 3.33Å; N141-T144 PolarHBondContact O-OG1 3.47Å
142	A	83.6	Confident	83.9	Confident	13 Å²	13	53.4 Å²	53.4	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-70.6	-26.1	177.1	0	0	0	0	0	111.8	H138 I139 F146 L448	H138-A142 WeakPolarHBondContact O-CB 3.44Å; H138-A142 PolarHBondContact O-N 3.12Å; I139-A142 PolarHBondContact O-N 2.96Å; A142-F146 WeakPolarHBondContact O-CD2 3.43Å; A142-F146 VanDerWaalsContact O-CE2 3.29Å; A142-F146 WeakPolarHBondContact O-CE2 3.29Å; A142-L448 HydrophobicContact CB-CB 3.81Å; A142-L448 HydrophobicContact CB-CD1 3.7Å; A142-L448 HydrophobicContact CB-CG 4.37Å
143	K	81.6	Confident	83.1	Confident	28 Å²	28	53.1 Å²	53.1	12%	0.122	29%	0.289	C	S	.	.	H	α-helix	trans	-71	-29.5	173.9	-73.9	178.2	-179.6	-179.5	0	112.5	I139 L140 N141 V145 F146 N308 D341 S374 L448	I139-K143 HydrophobicContact CG2-CD 4.21Å; I139-K143 WeakPolarHBondContact O-CG 3.35Å; I139-K143 PolarHBondContact O-N 3.17Å; L140-K143 PolarHBondContact O-N 2.94Å; N141-K143 VanDerWaalsContact C-N 3.25Å; N141-K143 PolarHBondContact O-N 2.95Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 2.93Å; K143-F146 WeakPolarHBondContact O-CD2 3.45Å; K143-F146 PolarHBondContact O-N 2.63Å; K143-N308 WeakPolarHBondContact CD-OD1 3.18Å; K143-D341 IonicContact NZ-OD2 3.74Å; K143-S374 PolarHBondContact NZ-OG 3.32Å; K143-L448 HydrophobicContact CG-CD1 4.05Å; K143-L448 HydrophobicContact CG-CD2 4.29Å
144	T	75.9	Confident	82.3	Confident	64 Å²	64	50.9 Å²	50.9	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-72.8	-22.6	177.4	62.4	0	0	0	0	113.6	L140 N141 F146 D147	L140-T144 PolarHBondContact O-N 2.8Å; N141-T144 PolarHBondContact O-N 3.33Å; N141-T144 PolarHBondContact O-OG1 3.47Å; T144-F146 PolarHBondContact O-N 3Å; T144-D147 WeakPolarHBondContact CA-OD2 3.11Å; T144-D147 WeakPolarHBondContact O-CB 3.49Å; T144-D147 PolarHBondContact O-N 2.81Å
145	V	72.3	Confident	81.7	Confident	63 Å²	63	50.9 Å²	50.9	38%	0.382	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.9	173.9	-179.6	0	0	0	0	112.2	K143 A452	K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 2.93Å; V145-A452 HydrophobicContact CG1-CB 3.64Å
146	F	70.4	Confident	81.3	Confident	24 Å²	24	57.1 Å²	57.1	11%	0.105	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.1	177.3	-63.5	-73.9	0	0	0	113.3	A142 K143 T144 D148 L149 K154 L448 I451	A142-F146 WeakPolarHBondContact O-CD2 3.43Å; A142-F146 VanDerWaalsContact O-CE2 3.29Å; A142-F146 WeakPolarHBondContact O-CE2 3.29Å; K143-F146 WeakPolarHBondContact O-CD2 3.45Å; K143-F146 PolarHBondContact O-N 2.63Å; T144-F146 PolarHBondContact O-N 3Å; F146-D148 PolarHBondContact O-N 2.97Å; F146-L149 HydrophobicContact CD1-CD1 3.95Å; F146-L149 HydrophobicContact CE1-CD1 4.4Å; F146-L149 PolarHBondContact O-N 2.79Å; F146-L149 VanDerWaalsContact O-N 3.1Å; F146-K154 HydrophobicContact CB-CD 4.36Å; F146-K154 HydrophobicContact CD1-CG 4.25Å; F146-K154 WeakPolarHBondContact O-CE 3.07Å; F146-K154 PolarHBondContact O-NZ 3.27Å; F146-L448 HydrophobicContact CD2-CD2 4.19Å; F146-L448 HydrophobicContact CE2-CB 4.06Å; F146-L448 HydrophobicContact CE2-CD2 3.32Å; F146-L448 HydrophobicContact CE2-CG 4.27Å; F146-L448 HydrophobicContact CZ-CB 4.36Å; F146-L448 HydrophobicContact CZ-CD2 3.93Å; F146-L448 WeakPolarHBondContact CZ-O 3.19Å; F146-I451 HydrophobicContact CE1-CB 3.76Å; F146-I451 HydrophobicContact CE1-CD1 4.4Å; F146-I451 HydrophobicContact CE1-CG2 3.49Å; F146-I451 VanDerWaalsContact CE1-CG2 3.49Å; F146-I451 HydrophobicContact CZ-CB 3.84Å; F146-I451 HydrophobicContact CZ-CD1 4.13Å; F146-I451 HydrophobicContact CZ-CG2 4.11Å
147	D	70.5	Confident	81	Confident	118 Å²	118	57 Å²	57	63%	0.631	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.7	-175	-63.9	-22.8	0	0	0	112	T144	T144-D147 WeakPolarHBondContact CA-OD2 3.11Å; T144-D147 WeakPolarHBondContact O-CB 3.49Å; T144-D147 PolarHBondContact O-N 2.81Å
148	D	71	Confident	80.7	Confident	114 Å²	114	53.7 Å²	53.7	61%	0.61	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.1	178	-62.5	-39.8	0	0	0	114.5	F146	F146-D148 PolarHBondContact O-N 2.97Å
149	L	72.4	Confident	80.5	Confident	26 Å²	26	52.4 Å²	52.4	14%	0.136	27%	0.267	C	S	.	.	S	Bend	trans	-88.5	140.2	179.3	-64.9	175.6	0	0	0	110	F146 E153 K154 A455	F146-L149 HydrophobicContact CD1-CD1 3.95Å; F146-L149 HydrophobicContact CE1-CD1 4.4Å; F146-L149 PolarHBondContact O-N 2.79Å; F146-L149 VanDerWaalsContact O-N 3.1Å; L149-E153 HydrophobicContact CD2-CB 4.38Å; L149-K154 HydrophobicContact CB-CD 4.46Å; L149-K154 HydrophobicContact CB-CG 3.71Å; L149-K154 HydrophobicContact CD1-CG 4.35Å; L149-K154 WeakPolarHBondContact O-CE 3.44Å; L149-K154 PolarHBondContact O-NZ 3.27Å; L149-A455 HydrophobicContact CD1-CB 3.62Å; L149-A455 HydrophobicContact CD2-CB 3.97Å; L149-A455 HydrophobicContact CG-CB 4.49Å
150	N	79.2	Confident	80.5	Confident	55 Å²	55	55.5 Å²	55.5	29%	0.294	28%	0.279	S	S	.	.			trans	-78.4	162.1	167.6	68.7	51.4	0	0	0	111.1	N152 E153 K154	N150-N152 VanDerWaalsContact C-N 3.25Å; N150-N152 PolarHBondContact O-N 3.49Å; N150-N152 WeakPolarHBondContact OD1-CB 3.13Å; N150-N152 PolarHBondContact OD1-N 3.31Å; N150-E153 PolarHBondContact N-OE2 2.8Å; N150-E153 PolarHBondContact ND2-OE1 3.32Å; N150-E153 PolarHBondContact ND2-OE2 3.22Å; N150-E153 VanDerWaalsContact ND2-OE2 3.16Å; N150-E153 WeakPolarHBondContact O-CB 3.49Å; N150-E153 PolarHBondContact O-N 2.68Å; N150-E153 VanDerWaalsContact O-N 3.11Å; N150-E153 WeakPolarHBondContact OD1-CB 3.29Å; N150-E153 WeakPolarHBondContact OD1-CG 3.48Å; N150-E153 PolarHBondContact OD1-N 2.84Å; N150-K154 WeakPolarHBondContact O-CG 3.44Å; N150-K154 PolarHBondContact O-N 2.88Å
151	D	74.9	Confident	80.7	Confident	69 Å²	69	54.9 Å²	54.9	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-30.5	-174.2	-59.3	-40.6	0	0	0	113.9	R155	D151-R155 WeakPolarHBondContact O-CB 3.48Å; D151-R155 PolarHBondContact O-N 3.08Å
152	N	79.5	Confident	81	Confident	66 Å²	66	51.9 Å²	51.9	35%	0.353	26%	0.26	S	S	.	.	H	α-helix	trans	-69.6	-41.5	176	-79.3	-32.4	0	0	0	111.8	N150 R155 R156	N150-N152 VanDerWaalsContact C-N 3.25Å; N150-N152 PolarHBondContact O-N 3.49Å; N150-N152 WeakPolarHBondContact OD1-CB 3.13Å; N150-N152 PolarHBondContact OD1-N 3.31Å; N152-R155 PolarHBondContact O-N 3.36Å; N152-R156 WeakPolarHBondContact O-CB 3.41Å; N152-R156 VanDerWaalsContact O-CG 3.24Å; N152-R156 WeakPolarHBondContact O-CG 3.49Å; N152-R156 PolarHBondContact O-N 3.35Å
153	E	81	Confident	81.4	Confident	65 Å²	65	51.2 Å²	51.2	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-48.6	173.9	-74.5	168.5	166.6	0	0	110.3	R64 L149 N150 R155 R156 A157	R64-E153 IonicContact CZ-OE1 2.77Å; R64-E153 IonicContact CZ-OE2 2.74Å; R64-E153 IonicContact NH1-OE1 2.79Å; R64-E153 PolarHBondContact NH1-OE1 3.13Å; R64-E153 IonicContact NH1-OE2 3.04Å; R64-E153 PolarHBondContact NH1-OE2 3.33Å; R64-E153 VanDerWaalsContact NH1-OE2 3.16Å; R64-E153 IonicContact NH2-OE2 3.39Å; L149-E153 HydrophobicContact CD2-CB 4.38Å; N150-E153 PolarHBondContact N-OE2 2.8Å; N150-E153 PolarHBondContact ND2-OE1 3.32Å; N150-E153 PolarHBondContact ND2-OE2 3.22Å; N150-E153 VanDerWaalsContact ND2-OE2 3.16Å; N150-E153 WeakPolarHBondContact O-CB 3.49Å; N150-E153 PolarHBondContact O-N 2.68Å; N150-E153 VanDerWaalsContact O-N 3.11Å; N150-E153 WeakPolarHBondContact OD1-CB 3.29Å; N150-E153 WeakPolarHBondContact OD1-CG 3.48Å; N150-E153 PolarHBondContact OD1-N 2.84Å; E153-R155 PolarHBondContact O-N 2.96Å; E153-R156 PolarHBondContact O-N 3.39Å; E153-A157 VanDerWaalsContact O-CB 3.3Å; E153-A157 WeakPolarHBondContact O-CB 3.39Å; E153-A157 PolarHBondContact O-N 2.66Å
154	K	79.9	Confident	82.1	Confident	30 Å²	30	50.5 Å²	50.5	13%	0.13	25%	0.251	C	S	.	.	H	α-helix	trans	-53.8	-53.1	174	-68	176.8	-169.6	170.7	0	110.9	F146 L149 N150 R156 A157 R158	F146-K154 HydrophobicContact CB-CD 4.36Å; F146-K154 HydrophobicContact CD1-CG 4.25Å; F146-K154 WeakPolarHBondContact O-CE 3.07Å; F146-K154 PolarHBondContact O-NZ 3.27Å; L149-K154 HydrophobicContact CB-CD 4.46Å; L149-K154 HydrophobicContact CB-CG 3.71Å; L149-K154 HydrophobicContact CD1-CG 4.35Å; L149-K154 WeakPolarHBondContact O-CE 3.44Å; L149-K154 PolarHBondContact O-NZ 3.27Å; N150-K154 WeakPolarHBondContact O-CG 3.44Å; N150-K154 PolarHBondContact O-N 2.88Å; K154-R156 PolarHBondContact O-N 3.36Å; K154-A157 PolarHBondContact O-N 3.34Å; K154-R158 WeakPolarHBondContact O-CB 3.49Å; K154-R158 WeakPolarHBondContact O-CG 3.2Å; K154-R158 PolarHBondContact O-N 2.74Å
155	R	82.1	Confident	82.9	Confident	44 Å²	44	48 Å²	48	17%	0.166	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-44.7	-177.2	-169	-179.2	-61.2	160.2	-1.8	112	P4 D151 N152 E153 S159	P4-R155 PolarHBondContact O-NH2 2.86Å; D151-R155 WeakPolarHBondContact O-CB 3.48Å; D151-R155 PolarHBondContact O-N 3.08Å; N152-R155 PolarHBondContact O-N 3.36Å; E153-R155 PolarHBondContact O-N 2.96Å; R155-S159 WeakPolarHBondContact O-CB 3.47Å; R155-S159 PolarHBondContact O-N 2.8Å; R155-S159 PolarHBondContact O-OG 3.25Å
156	R	86.1	Confident	83.9	Confident	143 Å²	143	46.9 Å²	46.9	54%	0.54	23%	0.229	S	C	.	.	H	α-helix	trans	-64.5	-44.2	177.6	-73.6	176.1	-172.7	-178.8	6.2	111.9	N152 E153 K154 S159 R160	N152-R156 WeakPolarHBondContact O-CB 3.41Å; N152-R156 VanDerWaalsContact O-CG 3.24Å; N152-R156 WeakPolarHBondContact O-CG 3.49Å; N152-R156 PolarHBondContact O-N 3.35Å; E153-R156 PolarHBondContact O-N 3.39Å; K154-R156 PolarHBondContact O-N 3.36Å; R156-S159 PolarHBondContact O-N 2.82Å; R156-R160 WeakPolarHBondContact O-CB 3.21Å; R156-R160 WeakPolarHBondContact O-CG 3.27Å; R156-R160 PolarHBondContact O-N 3.22Å
157	A	87.6	Confident	85	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-49.2	177.4	0	0	0	0	0	111.1	E153 K154 S159 R160 C161 I451 F454 A455	E153-A157 VanDerWaalsContact O-CB 3.3Å; E153-A157 WeakPolarHBondContact O-CB 3.39Å; E153-A157 PolarHBondContact O-N 2.66Å; K154-A157 PolarHBondContact O-N 3.34Å; A157-S159 VanDerWaalsContact C-N 3.31Å; A157-S159 PolarHBondContact O-N 2.93Å; A157-R160 PolarHBondContact O-N 3.32Å; A157-C161 WeakPolarHBondContact O-CB 3.02Å; A157-C161 PolarHBondContact O-N 3.29Å; A157-C161 PolarHBondContact O-SG 2.91Å; A157-C161 VanDerWaalsContact O-SG 3.38Å; A157-I451 HydrophobicContact CB-CG2 3.73Å; A157-F454 HydrophobicContact CB-CB 4.4Å; A157-A455 HydrophobicContact CB-CB 3.75Å
158	R	87.7	Confident	86	Confident	38 Å²	38	46.8 Å²	46.8	14%	0.143	22%	0.219	C	C	.	.	H	α-helix	trans	-51.9	-49	173.9	-74.3	-173.5	-35.7	-147.5	7.2	111.6	D6 K154 R160 N162 I451	D6-R158 IonicContact OD1-CZ 3Å; D6-R158 IonicContact OD1-NH1 3.61Å; D6-R158 PolarHBondContact OD1-NH1 3.42Å; D6-R158 IonicContact OD1-NH2 3.58Å; D6-R158 PolarHBondContact OD1-NH2 2.77Å; D6-R158 IonicContact OD2-NH1 3.56Å; D6-R158 PolarHBondContact OD2-NH1 2.76Å; K154-R158 WeakPolarHBondContact O-CB 3.49Å; K154-R158 WeakPolarHBondContact O-CG 3.2Å; K154-R158 PolarHBondContact O-N 2.74Å; R158-R160 VanDerWaalsContact C-N 3.34Å; R158-R160 PolarHBondContact O-N 3.11Å; R158-N162 WeakPolarHBondContact O-CB 3.24Å; R158-N162 PolarHBondContact O-N 3.45Å; R158-I451 HydrophobicContact CG-CD1 3.8Å; R158-I451 HydrophobicContact CG-CG1 4.12Å; R158-I451 HydrophobicContact CG-CG2 3.96Å
159	S	87.9	Confident	87	Confident	47 Å²	47	42.1 Å²	42.1	33%	0.329	20%	0.195	S	C	.	.	H	α-helix	trans	-70.8	-29.8	-175.6	-65.4	0	0	0	0	113.9	R155 R156 A157 Q465	R155-S159 WeakPolarHBondContact O-CB 3.47Å; R155-S159 PolarHBondContact O-N 2.8Å; R155-S159 PolarHBondContact O-OG 3.25Å; R156-S159 PolarHBondContact O-N 2.82Å; A157-S159 VanDerWaalsContact C-N 3.31Å; A157-S159 PolarHBondContact O-N 2.93Å; S159-Q465 PolarHBondContact O-NE2 2.92Å; S159-Q465 VanDerWaalsContact O-NE2 3.12Å
160	R	91.3	Very high	88.1	Confident	67 Å²	67	41.2 Å²	41.2	25%	0.253	19%	0.191	S	C	.	.	H	α-helix	trans	-80	-30	178.6	-77.6	171.7	55.4	-132.9	-7.9	113.3	R156 A157 R158 F454 N457 L458 L460 E462	R156-R160 WeakPolarHBondContact O-CB 3.21Å; R156-R160 WeakPolarHBondContact O-CG 3.27Å; R156-R160 PolarHBondContact O-N 3.22Å; A157-R160 PolarHBondContact O-N 3.32Å; R158-R160 VanDerWaalsContact C-N 3.34Å; R158-R160 PolarHBondContact O-N 3.11Å; R160-F454 HydrophobicContact CB-CD1 4.03Å; R160-F454 HydrophobicContact CB-CE1 4.5Å; R160-F454 PolarHBondContact NH1-O 3.42Å; R160-F454 VanDerWaalsContact NH1-O 3.13Å; R160-F454 WeakPolarHBondContact O-CE1 3.35Å; R160-N457 PolarHBondContact NH2-O 3.24Å; R160-L458 VanDerWaalsContact NH2-C 3.25Å; R160-L458 PolarHBondContact NH2-O 2.84Å; R160-L460 PolarHBondContact NH2-O 2.88Å; R160-E462 WeakPolarHBondContact O-CB 3.21Å
161	C	92.1	Very high	88.9	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.034	18%	0.182	C	C	.	.	H	α-helix	trans	-94.7	-27.5	-171.7	81.8	0	0	0	0	113.7	A157 P163 K450 I451 F454	A157-C161 WeakPolarHBondContact O-CB 3.02Å; A157-C161 PolarHBondContact O-N 3.29Å; A157-C161 PolarHBondContact O-SG 2.91Å; A157-C161 VanDerWaalsContact O-SG 3.38Å; C161-P163 WeakPolarHBondContact O-CD 3.25Å; C161-K450 HydrophobicContact CB-CD 4.26Å; C161-K450 HydrophobicContact CB-CG 4.02Å; C161-K450 WeakPolarHBondContact O-CE 3.43Å; C161-K450 PolarHBondContact O-NZ 3.32Å; C161-I451 VanDerWaalsContact SG-CG1 3.56Å; C161-F454 HydrophobicContact CB-CB 3.83Å; C161-F454 HydrophobicContact CB-CD1 3.48Å; C161-F454 VanDerWaalsContact CB-CD1 3.48Å; C161-F454 HydrophobicContact CB-CD2 3.59Å; C161-F454 HydrophobicContact CB-CE1 3.8Å; C161-F454 HydrophobicContact CB-CE2 3.9Å; C161-F454 HydrophobicContact CB-CG 3.35Å; C161-F454 HydrophobicContact CB-CZ 4Å
162	N	93.3	Very high	89.9	Confident	9 Å²	9	36.2 Å²	36.2	5%	0.048	16%	0.164	C	C	.	.			trans	-77	118.8	-176.2	174.8	18.4	0	0	0	110.7	R158 F164 E165 Q465	R158-N162 WeakPolarHBondContact O-CB 3.24Å; R158-N162 PolarHBondContact O-N 3.45Å; N162-F164 PolarHBondContact O-N 3.32Å; N162-F164 PolarHBondContact OD1-N 3.31Å; N162-F164 VanDerWaalsContact OD1-N 3.1Å; N162-E165 HydrophobicContact CB-CB 4.04Å; N162-E165 PolarHBondContact ND2-OE2 2.69Å; N162-E165 WeakPolarHBondContact O-CB 3.48Å; N162-E165 PolarHBondContact O-N 2.6Å; N162-Q465 PolarHBondContact O-NE2 3.04Å
163	P	93.8	Very high	90.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.2	178.9	-24.6	36.2	0	0	0	113.6	L87 C161 E462 Q465 V468	L87-P163 HydrophobicContact CD1-CB 3.91Å; L87-P163 HydrophobicContact CD1-CG 3.87Å; L87-P163 HydrophobicContact CD2-CB 4.46Å; L87-P163 HydrophobicContact CD2-CG 3.94Å; C161-P163 WeakPolarHBondContact O-CD 3.25Å; P163-E462 HydrophobicContact CB-CG 4.16Å; P163-E462 HydrophobicContact CG-CG 3.97Å; P163-Q465 WeakPolarHBondContact O-CA 3.38Å; P163-V468 HydrophobicContact CB-CG1 4.49Å; P163-V468 HydrophobicContact CB-CG2 4.19Å
164	F	94.9	Very high	91.2	Very high	12 Å²	12	32 Å²	32	5%	0.053	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.6	-177	-54.6	-79.4	0	0	0	113.5	L87 I89 N162 T166 I167 N367 V468	L87-F164 HydrophobicContact CD2-CE2 3.96Å; L87-F164 HydrophobicContact CD2-CZ 4.19Å; I89-F164 HydrophobicContact CD1-CE1 3.73Å; I89-F164 HydrophobicContact CD1-CZ 4.12Å; I89-F164 HydrophobicContact CG1-CE1 4.18Å; I89-F164 HydrophobicContact CG1-CZ 4.31Å; N162-F164 PolarHBondContact O-N 3.32Å; N162-F164 PolarHBondContact OD1-N 3.31Å; N162-F164 VanDerWaalsContact OD1-N 3.1Å; F164-T166 VanDerWaalsContact C-N 3.33Å; F164-T166 PolarHBondContact O-N 3.09Å; F164-I167 HydrophobicContact CB-CD1 4.22Å; F164-I167 HydrophobicContact CD1-CD1 4.24Å; F164-I167 VanDerWaalsContact O-CB 3.31Å; F164-I167 WeakPolarHBondContact O-CB 3.41Å; F164-I167 WeakPolarHBondContact O-CG1 3.32Å; F164-I167 PolarHBondContact O-N 2.8Å; F164-N367 WeakPolarHBondContact CB-O 3.38Å; F164-N367 HydrophobicContact CD1-CB 3.73Å; F164-N367 HydrophobicContact CD2-CB 4.24Å; F164-N367 WeakPolarHBondContact CD2-O 3.45Å; F164-N367 HydrophobicContact CE1-CB 3.43Å; F164-N367 VanDerWaalsContact CE1-CB 3.43Å; F164-N367 HydrophobicContact CE2-CB 3.97Å; F164-N367 HydrophobicContact CG-CB 4.14Å; F164-N367 VanDerWaalsContact CG-O 3.23Å; F164-N367 WeakPolarHBondContact CG-O 3.49Å; F164-N367 HydrophobicContact CZ-CB 3.56Å; F164-N367 WeakPolarHBondContact CZ-OD1 3.49Å; F164-V468 HydrophobicContact CD1-CG1 3.14Å; F164-V468 HydrophobicContact CE1-CG1 3.28Å; F164-V468 HydrophobicContact CG-CG1 3.98Å; F164-V468 HydrophobicContact CZ-CG1 4.21Å
165	E	93	Very high	91.9	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.056	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-66.1	-33.3	-166.8	-168.8	69.5	-169.3	0	0	113.8	N162 I167 R168 R175	N162-E165 HydrophobicContact CB-CB 4.04Å; N162-E165 PolarHBondContact ND2-OE2 2.69Å; N162-E165 WeakPolarHBondContact O-CB 3.48Å; N162-E165 PolarHBondContact O-N 2.6Å; E165-I167 PolarHBondContact O-N 2.8Å; E165-R168 WeakPolarHBondContact O-CG 3.47Å; E165-R168 PolarHBondContact O-N 2.96Å; E165-R175 IonicContact OE1-CZ 2.82Å; E165-R175 IonicContact OE1-NH1 2.71Å; E165-R175 PolarHBondContact OE1-NH1 2.72Å; E165-R175 IonicContact OE1-NH2 3.8Å; E165-R175 PolarHBondContact OE1-NH2 2.8Å; E165-R175 IonicContact OE2-CZ 2.69Å; E165-R175 IonicContact OE2-NH1 2.92Å; E165-R175 PolarHBondContact OE2-NH1 2.79Å; E165-R175 IonicContact OE2-NH2 2.76Å
166	T	92.6	Very high	92.6	Very high	39 Å²	39	29.1 Å²	29.1	24%	0.239	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-68.3	-14.7	-178.3	55.5	0	0	0	0	112.6	F164 Q465 R469	F164-T166 VanDerWaalsContact C-N 3.33Å; F164-T166 PolarHBondContact O-N 3.09Å; T166-Q465 HydrophobicContact CG2-CB 3.72Å; T166-Q465 HydrophobicContact CG2-CG 4.27Å; T166-Q465 PolarHBondContact OG1-O 3.16Å; T166-R469 PolarHBondContact O-NH1 2.88Å
167	I	93.7	Very high	93.1	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-63	-47.3	174.6	-61.8	175.3	0	0	0	110.8	F164 E165 S170 V178 R469 C472 L473 W476	F164-I167 HydrophobicContact CB-CD1 4.22Å; F164-I167 HydrophobicContact CD1-CD1 4.24Å; F164-I167 VanDerWaalsContact O-CB 3.31Å; F164-I167 WeakPolarHBondContact O-CB 3.41Å; F164-I167 WeakPolarHBondContact O-CG1 3.32Å; F164-I167 PolarHBondContact O-N 2.8Å; E165-I167 PolarHBondContact O-N 2.8Å; I167-S170 PolarHBondContact O-N 2.74Å; I167-S170 VanDerWaalsContact O-N 3.13Å; I167-V178 HydrophobicContact CG2-CG1 3.69Å; I167-R469 HydrophobicContact CG1-CB 4.07Å; I167-R469 HydrophobicContact CG1-CG 4.14Å; I167-R469 PolarHBondContact O-NH1 3.33Å; I167-C472 HydrophobicContact CD1-CB 3.64Å; I167-L473 HydrophobicContact CG2-CD2 4.19Å; I167-W476 HydrophobicContact CD1-CH2 3.69Å; I167-W476 HydrophobicContact CD1-CZ3 3.82Å; I167-W476 HydrophobicContact CG2-CZ3 3.97Å
168	R	91.7	Very high	93.6	Very high	137 Å²	137	22.3 Å²	22.3	52%	0.517	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-136.5	-179	-55.2	-176	-179.3	174.1	3.7	111.7	E165 S170 V178	E165-R168 WeakPolarHBondContact O-CG 3.47Å; E165-R168 PolarHBondContact O-N 2.96Å; R168-S170 VanDerWaalsContact C-N 3.34Å; R168-V178 WeakPolarHBondContact O-CG2 3.2Å
169	S	93.1	Very high	94.1	Very high	15 Å²	15	20.7 Å²	20.7	11%	0.105	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5	173.5	47	0	0	0	0	114.5	E11 I171 F172	E11-S169 WeakPolarHBondContact OE1-CB 3.49Å; E11-S169 PolarHBondContact OE1-N 2.91Å; E11-S169 WeakPolarHBondContact OE2-CB 3.4Å; E11-S169 PolarHBondContact OE2-OG 2.76Å; S169-I171 PolarHBondContact O-N 3.39Å; S169-I171 VanDerWaalsContact O-N 3.09Å; S169-F172 WeakPolarHBondContact CB-O 3.38Å; S169-F172 WeakPolarHBondContact O-CB 3.44Å; S169-F172 PolarHBondContact O-N 3.42Å
170	S	94.2	Very high	94.6	Very high	7 Å²	7	18.4 Å²	18.4	5%	0.049	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-112.5	-175.6	-174.9	0	0	0	0	112.3	I167 R168 R483	I167-S170 PolarHBondContact O-N 2.74Å; I167-S170 VanDerWaalsContact O-N 3.13Å; R168-S170 VanDerWaalsContact C-N 3.34Å; S170-R483 PolarHBondContact O-N 2.85Å; S170-R483 VanDerWaalsContact O-N 3.12Å
171	I	95.7	Very high	94.9	Very high	20 Å²	20	15.2 Å²	15.2	10%	0.103	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.5	176.4	59.2	167.6	0	0	0	113.8	S169 Y227 A253 P479 K481 R483	S169-I171 PolarHBondContact O-N 3.39Å; S169-I171 VanDerWaalsContact O-N 3.09Å; I171-Y227 HydrophobicContact CD1-CD2 4.02Å; I171-Y227 HydrophobicContact CD1-CE1 4.48Å; I171-Y227 HydrophobicContact CD1-CE2 3.62Å; I171-A253 HydrophobicContact CD1-CB 3.99Å; I171-A253 HydrophobicContact CG1-CB 4.14Å; I171-P479 HydrophobicContact CD1-CG 3.92Å; I171-P479 HydrophobicContact CG2-CG 4Å; I171-K481 HydrophobicContact CG2-CB 4.06Å; I171-R483 WeakPolarHBondContact O-CG 3.3Å
172	F	97.1	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-96.9	170.4	-168.8	-58.9	-69.8	0	0	0	113.4	S169 N174 A177 V178 E223 Y224 Y227 A253 L478 R483	S169-F172 WeakPolarHBondContact CB-O 3.38Å; S169-F172 WeakPolarHBondContact O-CB 3.44Å; S169-F172 PolarHBondContact O-N 3.42Å; F172-N174 PolarHBondContact O-N 3.11Å; F172-A177 HydrophobicContact CB-CB 3.29Å; F172-A177 HydrophobicContact CD1-CB 3.86Å; F172-A177 HydrophobicContact CD2-CB 3.63Å; F172-A177 HydrophobicContact CE2-CB 4.38Å; F172-A177 HydrophobicContact CG-CB 3.32Å; F172-V178 HydrophobicContact CD2-CG2 3.92Å; F172-V178 HydrophobicContact CE2-CG2 4.49Å; F172-E223 WeakPolarHBondContact CA-OE2 3.4Å; F172-E223 WeakPolarHBondContact CB-OE2 3.25Å; F172-E223 HydrophobicContact CD1-CG 4.1Å; F172-Y224 AromaticContact CZ-CD2 3.96Å; F172-Y224 HydrophobicContact CZ-CD2 3.96Å; F172-Y227 HydrophobicContact CE1-CD1 4Å; F172-Y227 AromaticContact CE1-CG 3.86Å; F172-Y227 HydrophobicContact CE1-CG 3.86Å; F172-Y227 AromaticContact CZ-CD1 3.82Å; F172-Y227 HydrophobicContact CZ-CD1 3.82Å; F172-Y227 HydrophobicContact CZ-CE1 4.33Å; F172-Y227 HydrophobicContact CZ-CG 4.15Å; F172-A253 HydrophobicContact CD1-CB 3.65Å; F172-A253 HydrophobicContact CE1-CB 3.85Å; F172-L478 HydrophobicContact CE2-CD1 3.86Å; F172-L478 HydrophobicContact CE2-CD2 3.69Å; F172-L478 HydrophobicContact CE2-CG 4.43Å; F172-L478 HydrophobicContact CZ-CD2 3.68Å; F172-R483 WeakPolarHBondContact O-CD 3.48Å; F172-R483 PolarHBondContact O-NE 2.86Å
173	L	94.1	Very high	95.5	Very high	27 Å²	27	14.6 Å²	14.6	14%	0.141	7%	0.069	C	C	.	.	S	Bend	trans	-55.7	-43.9	178.4	177.7	58.6	0	0	0	113.5	P218 E223 K250 F251	L173-P218 HydrophobicContact CD2-CB 3.84Å; L173-P218 HydrophobicContact CD2-CG 3.77Å; L173-P218 HydrophobicContact CG-CG 4.27Å; L173-E223 VanDerWaalsContact CB-OE2 3.27Å; L173-E223 WeakPolarHBondContact CB-OE2 3.26Å; L173-E223 PolarHBondContact N-OE2 3.18Å; L173-K250 HydrophobicContact CD1-CB 3.48Å; L173-K250 VanDerWaalsContact CD1-CB 3.48Å; L173-K250 HydrophobicContact CD1-CD 3.99Å; L173-K250 HydrophobicContact CD1-CG 4.39Å; L173-F251 HydrophobicContact CD2-CD1 4.27Å; L173-F251 HydrophobicContact CD2-CE1 4.09Å
174	N	94.2	Very high	95.7	Very high	15 Å²	15	14.6 Å²	14.6	8%	0.08	7%	0.069	C	C	.	.	S	Bend	trans	-152.1	177	-178.2	68	1.5	0	0	0	111.2	F172 A176 A177 G220	F172-N174 PolarHBondContact O-N 3.11Å; N174-A176 VanDerWaalsContact C-N 3.27Å; N174-A176 PolarHBondContact O-N 2.86Å; N174-A176 WeakPolarHBondContact OD1-CB 3.49Å; N174-A176 PolarHBondContact OD1-N 2.85Å; N174-A177 PolarHBondContact O-N 2.89Å; N174-G220 VanDerWaalsContact OD1-CA 3.3Å; N174-G220 WeakPolarHBondContact OD1-CA 3.5Å
175	R	94.2	Very high	95.9	Very high	12 Å²	12	15.1 Å²	15.1	5%	0.045	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-28.4	-179.6	-168.7	175.9	-65.1	-159.5	2.3	113.2	E165 A177 V178 K179	E165-R175 IonicContact OE1-CZ 2.82Å; E165-R175 IonicContact OE1-NH1 2.71Å; E165-R175 PolarHBondContact OE1-NH1 2.72Å; E165-R175 IonicContact OE1-NH2 3.8Å; E165-R175 PolarHBondContact OE1-NH2 2.8Å; E165-R175 IonicContact OE2-CZ 2.69Å; E165-R175 IonicContact OE2-NH1 2.92Å; E165-R175 PolarHBondContact OE2-NH1 2.79Å; E165-R175 IonicContact OE2-NH2 2.76Å; R175-A177 VanDerWaalsContact C-N 3.27Å; R175-A177 PolarHBondContact O-N 2.91Å; R175-V178 WeakPolarHBondContact O-CB 3.49Å; R175-V178 PolarHBondContact O-N 3.49Å; R175-K179 PolarHBondContact O-N 3.29Å
176	A	96.1	Very high	96.1	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.017	8%	0.077	C	C	.	.	H	α-helix	trans	-56	-40.5	179.5	0	0	0	0	0	112.1	N174 V178 K179 M180 F221 D298	N174-A176 VanDerWaalsContact C-N 3.27Å; N174-A176 PolarHBondContact O-N 2.86Å; N174-A176 WeakPolarHBondContact OD1-CB 3.49Å; N174-A176 PolarHBondContact OD1-N 2.85Å; A176-V178 VanDerWaalsContact C-N 3.27Å; A176-V178 PolarHBondContact O-N 2.79Å; A176-K179 WeakPolarHBondContact O-CA 3.09Å; A176-K179 WeakPolarHBondContact O-CB 3.4Å; A176-K179 PolarHBondContact O-N 3.12Å; A176-M180 PolarHBondContact O-N 2.85Å; A176-F221 HydrophobicContact CB-CD1 3.96Å; A176-F221 HydrophobicContact CB-CE1 3.93Å; A176-F221 WeakPolarHBondContact O-CD1 3.25Å; A176-F221 WeakPolarHBondContact O-CE1 3.44Å; A176-D298 WeakPolarHBondContact CB-OD2 3.44Å
177	A	97.7	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.4	-39.2	175.4	0	0	0	0	0	113.3	F172 N174 R175 M180 A181 G220	F172-A177 HydrophobicContact CB-CB 3.29Å; F172-A177 HydrophobicContact CD1-CB 3.86Å; F172-A177 HydrophobicContact CD2-CB 3.63Å; F172-A177 HydrophobicContact CE2-CB 4.38Å; F172-A177 HydrophobicContact CG-CB 3.32Å; N174-A177 PolarHBondContact O-N 2.89Å; R175-A177 VanDerWaalsContact C-N 3.27Å; R175-A177 PolarHBondContact O-N 2.91Å; A177-M180 PolarHBondContact O-N 2.84Å; A177-A181 PolarHBondContact O-N 2.93Å; A177-G220 VanDerWaalsContact CA-O 3.27Å; A177-G220 WeakPolarHBondContact CA-O 3.36Å; A177-G220 WeakPolarHBondContact CB-O 3.43Å
178	V	97.6	Very high	96.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-36.5	176	179.5	0	0	0	0	111	I167 R168 F172 R175 A176 M180 A181 N182 W476	I167-V178 HydrophobicContact CG2-CG1 3.69Å; R168-V178 WeakPolarHBondContact O-CG2 3.2Å; F172-V178 HydrophobicContact CD2-CG2 3.92Å; F172-V178 HydrophobicContact CE2-CG2 4.49Å; R175-V178 WeakPolarHBondContact O-CB 3.49Å; R175-V178 PolarHBondContact O-N 3.49Å; A176-V178 VanDerWaalsContact C-N 3.27Å; A176-V178 PolarHBondContact O-N 2.79Å; V178-M180 VanDerWaalsContact C-N 3.34Å; V178-A181 PolarHBondContact O-N 3.08Å; V178-N182 WeakPolarHBondContact O-CB 3.23Å; V178-N182 PolarHBondContact O-N 2.93Å; V178-W476 HydrophobicContact CG1-CE3 4Å; V178-W476 HydrophobicContact CG1-CH2 4.34Å; V178-W476 HydrophobicContact CG1-CZ3 3.47Å; V178-W476 VanDerWaalsContact CG1-CZ3 3.47Å
179	K	97.8	Very high	96.8	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-46.1	171.9	-59.7	-178.2	-169.5	178.2	0	111.3	R175 A176 A181 N182 I183 F221 S368 E375 Y377	R175-K179 PolarHBondContact O-N 3.29Å; A176-K179 WeakPolarHBondContact O-CA 3.09Å; A176-K179 WeakPolarHBondContact O-CB 3.4Å; A176-K179 PolarHBondContact O-N 3.12Å; K179-A181 PolarHBondContact O-N 3.2Å; K179-N182 WeakPolarHBondContact O-CB 3.17Å; K179-N182 PolarHBondContact O-N 3.2Å; K179-I183 WeakPolarHBondContact O-CD1 3.24Å; K179-I183 VanDerWaalsContact O-CG1 3.26Å; K179-I183 WeakPolarHBondContact O-CG1 3.43Å; K179-I183 PolarHBondContact O-N 3.42Å; K179-F221 HydrophobicContact CB-CE1 4.3Å; K179-S368 VanDerWaalsContact CA-OG 3.3Å; K179-S368 WeakPolarHBondContact CA-OG 3.47Å; K179-E375 WeakPolarHBondContact CE-OE1 3.34Å; K179-E375 IonicContact NZ-OE1 2.58Å; K179-E375 PolarHBondContact NZ-OE1 3Å; K179-E375 IonicContact NZ-OE2 3.61Å; K179-E375 PolarHBondContact NZ-OE2 3.25Å; K179-Y377 VanDerWaalsContact CD-OH 3.23Å; K179-Y377 WeakPolarHBondContact CD-OH 3.49Å
180	M	98.4	Very high	97	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.5	-165.7	59.8	-128.6	0	0	112.4	A176 A177 V178 N182 I183 D184 F191 F221 Y224 M296 V336	A176-M180 PolarHBondContact O-N 2.85Å; A177-M180 PolarHBondContact O-N 2.84Å; V178-M180 VanDerWaalsContact C-N 3.34Å; M180-N182 VanDerWaalsContact C-N 3.31Å; M180-N182 PolarHBondContact O-N 2.99Å; M180-I183 HydrophobicContact CE-CB 4.35Å; M180-I183 HydrophobicContact CE-CG2 4.12Å; M180-I183 PolarHBondContact O-N 2.9Å; M180-D184 HydrophobicContact CE-CB 4.11Å; M180-D184 VanDerWaalsContact O-CB 3.28Å; M180-D184 WeakPolarHBondContact O-CB 3.36Å; M180-D184 PolarHBondContact O-N 2.89Å; M180-F191 HydrophobicContact CE-CB 4.18Å; M180-F191 HydrophobicContact CE-CD1 4.4Å; M180-F191 HydrophobicContact CE-CD2 3.44Å; M180-F191 VanDerWaalsContact CE-CD2 3.44Å; M180-F191 HydrophobicContact CE-CE2 3.86Å; M180-F191 HydrophobicContact CE-CG 3.74Å; M180-F191 HydrophobicContact CE-CZ 4.49Å; M180-F221 HydrophobicContact CB-CB 4.41Å; M180-F221 HydrophobicContact CB-CD1 3.57Å; M180-F221 HydrophobicContact CB-CE1 3.85Å; M180-F221 HydrophobicContact CB-CG 3.92Å; M180-F221 HydrophobicContact CB-CZ 4.41Å; M180-F221 HydrophobicContact CG-CB 4.38Å; M180-F221 HydrophobicContact CG-CD1 4.29Å; M180-F221 HydrophobicContact CG-CD2 4.46Å; M180-F221 HydrophobicContact CG-CG 4.13Å; M180-F221 HydrophobicContact SD-CD2 4Å; M180-F221 HydrophobicContact SD-CE2 4.04Å; M180-F221 HydrophobicContact SD-CG 4.27Å; M180-F221 HydrophobicContact SD-CZ 4.39Å; M180-Y224 HydrophobicContact CB-CD1 3.86Å; M180-Y224 HydrophobicContact CB-CG 4.27Å; M180-Y224 HydrophobicContact CG-CD1 3.49Å; M180-Y224 VanDerWaalsContact CG-CD1 3.49Å; M180-Y224 HydrophobicContact CG-CE1 4.02Å; M180-Y224 HydrophobicContact CG-CG 4.36Å; M180-M296 HydrophobicContact CE-SD 4.18Å; M180-M296 HydrophobicContact CG-SD 3.86Å; M180-M296 HydrophobicContact SD-CG 4.28Å; M180-M296 HydrophobicContact SD-SD 3.53Å; M180-V336 HydrophobicContact CE-CG1 4.15Å; M180-V336 HydrophobicContact SD-CG1 4.02Å
181	A	98.6	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-41.7	175.2	0	0	0	0	0	112.6	A177 V178 K179 S185 Y224 W476 L478	A177-A181 PolarHBondContact O-N 2.93Å; V178-A181 PolarHBondContact O-N 3.08Å; K179-A181 PolarHBondContact O-N 3.2Å; A181-S185 WeakPolarHBondContact O-CB 3.49Å; A181-S185 PolarHBondContact O-N 2.93Å; A181-Y224 VanDerWaalsContact CA-CE2 3.44Å; A181-Y224 HydrophobicContact CB-CD2 3.54Å; A181-Y224 HydrophobicContact CB-CE2 3.35Å; A181-Y224 HydrophobicContact CB-CG 4.32Å; A181-W476 HydrophobicContact CB-CB 4.44Å; A181-L478 HydrophobicContact CB-CD1 3.84Å; A181-L478 HydrophobicContact CB-CD2 4.36Å; A181-L478 HydrophobicContact CB-CG 4.32Å
182	N	98.5	Very high	97.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.2	-47.5	176.6	-173.6	177.8	0	0	0	111.5	E91 V178 K179 M180 S185 M186 P366 N367 S368 W476	E91-N182 PolarHBondContact OE1-ND2 2.6Å; E91-N182 PolarHBondContact OE1-OD1 2.85Å; V178-N182 WeakPolarHBondContact O-CB 3.23Å; V178-N182 PolarHBondContact O-N 2.93Å; K179-N182 WeakPolarHBondContact O-CB 3.17Å; K179-N182 PolarHBondContact O-N 3.2Å; M180-N182 VanDerWaalsContact C-N 3.31Å; M180-N182 PolarHBondContact O-N 2.99Å; N182-S185 WeakPolarHBondContact O-CB 3.35Å; N182-S185 PolarHBondContact O-N 3.26Å; N182-M186 VanDerWaalsContact O-CG 3.29Å; N182-M186 WeakPolarHBondContact O-CG 3.46Å; N182-M186 PolarHBondContact O-N 3.21Å; N182-P366 HydrophobicContact CB-CB 4.11Å; N182-P366 VanDerWaalsContact OD1-CB 3.26Å; N182-P366 WeakPolarHBondContact OD1-CB 3.26Å; N182-N367 PolarHBondContact OD1-N 3.44Å; N182-S368 VanDerWaalsContact CB-OG 3.25Å; N182-S368 WeakPolarHBondContact CB-OG 3.34Å; N182-S368 WeakPolarHBondContact OD1-CB 3.05Å; N182-S368 PolarHBondContact OD1-N 3.21Å; N182-S368 PolarHBondContact OD1-OG 2.9Å; N182-W476 HydrophobicContact CB-CD2 4.04Å; N182-W476 HydrophobicContact CB-CE3 4.49Å; N182-W476 HydrophobicContact CB-CH2 4.21Å; N182-W476 HydrophobicContact CB-CZ2 3.74Å; N182-W476 VanDerWaalsContact CG-CE2 3.41Å; N182-W476 PolarHBondContact ND2-NE1 2.84Å; N182-W476 VanDerWaalsContact ND2-NE1 3.18Å; N182-W476 WeakPolarHBondContact OD1-CZ2 3.05Å
183	I	98.7	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-48.4	177.6	-69	162	0	0	0	110.7	K179 M180 S185 M186 C187 F191 V336 I364 P366 Y377 V379	K179-I183 WeakPolarHBondContact O-CD1 3.24Å; K179-I183 VanDerWaalsContact O-CG1 3.26Å; K179-I183 WeakPolarHBondContact O-CG1 3.43Å; K179-I183 PolarHBondContact O-N 3.42Å; M180-I183 HydrophobicContact CE-CB 4.35Å; M180-I183 HydrophobicContact CE-CG2 4.12Å; M180-I183 PolarHBondContact O-N 2.9Å; I183-S185 VanDerWaalsContact C-N 3.29Å; I183-S185 PolarHBondContact O-N 3.38Å; I183-M186 WeakPolarHBondContact O-CB 3.06Å; I183-M186 PolarHBondContact O-N 2.62Å; I183-M186 VanDerWaalsContact O-N 3.15Å; I183-C187 WeakPolarHBondContact O-CB 3.41Å; I183-C187 PolarHBondContact O-N 2.94Å; I183-C187 PolarHBondContact O-SG 2.91Å; I183-C187 VanDerWaalsContact O-SG 3.41Å; I183-F191 HydrophobicContact CG2-CE2 3.97Å; I183-V336 HydrophobicContact CD1-CG2 4.29Å; I183-V336 HydrophobicContact CG2-CG2 4.2Å; I183-I364 HydrophobicContact CB-CD1 4.41Å; I183-I364 HydrophobicContact CG1-CD1 4.11Å; I183-I364 HydrophobicContact CG2-CD1 3.9Å; I183-P366 HydrophobicContact CD1-CG 4.19Å; I183-P366 HydrophobicContact CG1-CB 4.02Å; I183-P366 HydrophobicContact CG1-CG 3.85Å; I183-Y377 HydrophobicContact CD1-CD1 3.69Å; I183-Y377 HydrophobicContact CD1-CD2 3.76Å; I183-Y377 HydrophobicContact CD1-CE1 3.89Å; I183-Y377 HydrophobicContact CD1-CE2 3.95Å; I183-Y377 HydrophobicContact CD1-CG 3.62Å; I183-V379 HydrophobicContact CG2-CG2 4.34Å
184	D	98.6	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.3	-43.1	179.2	-166.1	34.7	0	0	0	110.2	M180 C187 N188 F189 M190 F191 T192 Y224	M180-D184 HydrophobicContact CE-CB 4.11Å; M180-D184 VanDerWaalsContact O-CB 3.28Å; M180-D184 WeakPolarHBondContact O-CB 3.36Å; M180-D184 PolarHBondContact O-N 2.89Å; D184-C187 CarbonylContact O-C 3.52Å; D184-C187 PolarHBondContact O-N 3.18Å; D184-N188 PolarHBondContact O-N 2.81Å; D184-F189 WeakPolarHBondContact O-CA 3.22Å; D184-F189 PolarHBondContact O-N 3.18Å; D184-F189 WeakPolarHBondContact OD1-CA 3.06Å; D184-M190 PolarHBondContact OD1-N 2.87Å; D184-F191 HydrophobicContact CB-CD2 4.29Å; D184-F191 WeakPolarHBondContact OD1-CB 3.12Å; D184-F191 WeakPolarHBondContact OD1-CD2 3.23Å; D184-F191 PolarHBondContact OD1-N 2.99Å; D184-T192 PolarHBondContact OD1-N 3.06Å; D184-T192 WeakPolarHBondContact OD2-CB 3.18Å; D184-T192 WeakPolarHBondContact OD2-CG2 3.21Å; D184-T192 PolarHBondContact OD2-OG1 2.91Å; D184-Y224 HydrophobicContact CB-CE1 3.87Å; D184-Y224 WeakPolarHBondContact CB-OH 3.48Å; D184-Y224 PolarHBondContact OD2-OH 3.18Å
185	S	98.4	Very high	97.7	Very high	24 Å²	24	23.5 Å²	23.5	17%	0.168	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-43.2	173.7	-175.5	0	0	0	0	113.4	A181 N182 I183 C187 N188 R475	A181-S185 WeakPolarHBondContact O-CB 3.49Å; A181-S185 PolarHBondContact O-N 2.93Å; N182-S185 WeakPolarHBondContact O-CB 3.35Å; N182-S185 PolarHBondContact O-N 3.26Å; I183-S185 VanDerWaalsContact C-N 3.29Å; I183-S185 PolarHBondContact O-N 3.38Å; S185-C187 PolarHBondContact O-N 3.46Å; S185-N188 PolarHBondContact O-N 3.45Å; S185-R475 PolarHBondContact OG-O 3.44Å
186	M	97.8	Very high	97.7	Very high	21 Å²	21	24.6 Å²	24.6	10%	0.103	12%	0.121	C	C	.	.	H	α-helix	trans	-60.8	-36.9	176.4	-74.3	172.6	64.7	0	0	111.2	E91 V93 N182 I183 N188 I364 P366	E91-M186 HydrophobicContact CB-CE 3.52Å; E91-M186 HydrophobicContact CB-CG 4.16Å; E91-M186 HydrophobicContact CB-SD 3.88Å; E91-M186 HydrophobicContact CG-CE 4.29Å; E91-M186 HydrophobicContact CG-SD 4.13Å; V93-M186 HydrophobicContact CG2-CB 3.81Å; V93-M186 HydrophobicContact CG2-CE 3.91Å; V93-M186 WeakPolarHBondContact CG2-O 3.35Å; N182-M186 VanDerWaalsContact O-CG 3.29Å; N182-M186 WeakPolarHBondContact O-CG 3.46Å; N182-M186 PolarHBondContact O-N 3.21Å; I183-M186 WeakPolarHBondContact O-CB 3.06Å; I183-M186 PolarHBondContact O-N 2.62Å; I183-M186 VanDerWaalsContact O-N 3.15Å; M186-N188 VanDerWaalsContact C-N 3.29Å; M186-N188 PolarHBondContact O-N 2.87Å; M186-I364 HydrophobicContact CE-CB 3.81Å; M186-I364 HydrophobicContact CE-CD1 3.99Å; M186-I364 HydrophobicContact CE-CG1 4.41Å; M186-I364 HydrophobicContact CE-CG2 4.1Å; M186-I364 HydrophobicContact SD-CD1 4.39Å; M186-P366 HydrophobicContact SD-CB 3.93Å
187	C	98	Very high	97.5	Very high	4 Å²	4	28 Å²	28	3%	0.027	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	26.3	-179.4	-60.4	0	0	0	0	113.2	W95 I183 D184 S185 F189 M190 F191	W95-C187 HydrophobicContact CZ2-CB 4.49Å; I183-C187 WeakPolarHBondContact O-CB 3.41Å; I183-C187 PolarHBondContact O-N 2.94Å; I183-C187 PolarHBondContact O-SG 2.91Å; I183-C187 VanDerWaalsContact O-SG 3.41Å; D184-C187 CarbonylContact O-C 3.52Å; D184-C187 PolarHBondContact O-N 3.18Å; S185-C187 PolarHBondContact O-N 3.46Å; C187-F189 VanDerWaalsContact C-N 3.28Å; C187-F189 PolarHBondContact O-N 2.99Å; C187-M190 HydrophobicContact CB-CG 3.62Å; C187-M190 HydrophobicContact CB-SD 3.64Å; C187-M190 WeakPolarHBondContact O-CB 3.49Å; C187-M190 WeakPolarHBondContact O-CG 3.37Å; C187-M190 PolarHBondContact O-N 2.69Å; C187-F191 HydrophobicContact CB-CE2 4.33Å
188	N	96.7	Very high	97.3	Very high	141 Å²	141	31.8 Å²	31.8	75%	0.754	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.9	177.6	-62.8	-48.5	0	0	0	114.4	D184 S185 M186 M190	D184-N188 PolarHBondContact O-N 2.81Å; S185-N188 PolarHBondContact O-N 3.45Å; M186-N188 VanDerWaalsContact C-N 3.29Å; M186-N188 PolarHBondContact O-N 2.87Å; N188-M190 VanDerWaalsContact C-N 3.26Å; N188-M190 PolarHBondContact O-N 3.41Å
189	F	97.8	Very high	97.1	Very high	52 Å²	52	33.4 Å²	33.4	23%	0.228	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	31.8	-177.5	-56.6	-78.2	0	0	0	114	D184 C187 F191 T192 N193 R228	D184-F189 WeakPolarHBondContact O-CA 3.22Å; D184-F189 PolarHBondContact O-N 3.18Å; D184-F189 WeakPolarHBondContact OD1-CA 3.06Å; C187-F189 VanDerWaalsContact C-N 3.28Å; C187-F189 PolarHBondContact O-N 2.99Å; F189-F191 PolarHBondContact O-N 2.86Å; F189-T192 PolarHBondContact O-N 3.31Å; F189-N193 CarbonylContact O-C 3.48Å; F189-N193 WeakPolarHBondContact O-CA 3.43Å; F189-N193 WeakPolarHBondContact O-CB 3.35Å; F189-N193 PolarHBondContact O-N 3.42Å; F189-R228 VanDerWaalsContact CD1-NH2 3.28Å; F189-R228 VanDerWaalsContact CE1-NH2 3.29Å
190	M	97.8	Very high	97	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.059	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21	-175.9	65.4	176.6	-81.2	0	0	114.8	W95 D184 C187 N188 P194 S334 V379 K381	W95-M190 HydrophobicContact CH2-SD 3.84Å; W95-M190 HydrophobicContact CZ2-SD 4.07Å; D184-M190 PolarHBondContact OD1-N 2.87Å; C187-M190 HydrophobicContact CB-CG 3.62Å; C187-M190 HydrophobicContact CB-SD 3.64Å; C187-M190 WeakPolarHBondContact O-CB 3.49Å; C187-M190 WeakPolarHBondContact O-CG 3.37Å; C187-M190 PolarHBondContact O-N 2.69Å; N188-M190 VanDerWaalsContact C-N 3.26Å; N188-M190 PolarHBondContact O-N 3.41Å; M190-P194 WeakPolarHBondContact O-CA 3.35Å; M190-P194 WeakPolarHBondContact O-CB 3.33Å; M190-S334 WeakPolarHBondContact CE-OG 3.39Å; M190-V379 HydrophobicContact SD-CG1 4.43Å; M190-K381 HydrophobicContact CE-CB 3.79Å; M190-K381 HydrophobicContact CE-CD 3.62Å; M190-K381 HydrophobicContact CE-CG 3.51Å; M190-K381 HydrophobicContact SD-CD 3.79Å; M190-K381 HydrophobicContact SD-CG 4.35Å
191	F	98.5	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-45	177.5	-60.4	-80.9	0	0	0	110.1	M180 I183 D184 C187 F189 F294 V336 V379	M180-F191 HydrophobicContact CE-CB 4.18Å; M180-F191 HydrophobicContact CE-CD1 4.4Å; M180-F191 HydrophobicContact CE-CD2 3.44Å; M180-F191 VanDerWaalsContact CE-CD2 3.44Å; M180-F191 HydrophobicContact CE-CE2 3.86Å; M180-F191 HydrophobicContact CE-CG 3.74Å; M180-F191 HydrophobicContact CE-CZ 4.49Å; I183-F191 HydrophobicContact CG2-CE2 3.97Å; D184-F191 HydrophobicContact CB-CD2 4.29Å; D184-F191 WeakPolarHBondContact OD1-CB 3.12Å; D184-F191 WeakPolarHBondContact OD1-CD2 3.23Å; D184-F191 PolarHBondContact OD1-N 2.99Å; C187-F191 HydrophobicContact CB-CE2 4.33Å; F189-F191 PolarHBondContact O-N 2.86Å; F191-F294 HydrophobicContact CB-CD1 4.42Å; F191-F294 HydrophobicContact CB-CD2 4.1Å; F191-F294 HydrophobicContact CB-CE1 4.39Å; F191-F294 HydrophobicContact CB-CE2 4.03Å; F191-F294 HydrophobicContact CB-CG 4.28Å; F191-F294 HydrophobicContact CB-CZ 4.17Å; F191-F294 HydrophobicContact CD1-CB 3.86Å; F191-F294 AromaticContact CD1-CD2 3.61Å; F191-F294 HydrophobicContact CD1-CD2 3.61Å; F191-F294 HydrophobicContact CD1-CE2 4.3Å; F191-F294 AromaticContact CD1-CG 3.8Å; F191-F294 HydrophobicContact CD1-CG 3.8Å; F191-F294 HydrophobicContact CE1-CB 4.45Å; F191-F294 HydrophobicContact CG-CD2 4.31Å; F191-F294 WeakPolarHBondContact O-CD1 3.49Å; F191-F294 WeakPolarHBondContact O-CE1 3.4Å; F191-V336 HydrophobicContact CD1-CG1 4.5Å; F191-V336 HydrophobicContact CE1-CB 4.03Å; F191-V336 HydrophobicContact CE1-CG1 3.83Å; F191-V336 HydrophobicContact CZ-CB 3.71Å; F191-V336 HydrophobicContact CZ-CG1 3.86Å; F191-V379 HydrophobicContact CZ-CG1 3.95Å
192	T	98.2	Very high	96.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-23.7	177.6	58.8	0	0	0	0	112.5	D184 F189 Y224 R228 K229	D184-T192 PolarHBondContact OD1-N 3.06Å; D184-T192 WeakPolarHBondContact OD2-CB 3.18Å; D184-T192 WeakPolarHBondContact OD2-CG2 3.21Å; D184-T192 PolarHBondContact OD2-OG1 2.91Å; F189-T192 PolarHBondContact O-N 3.31Å; T192-Y224 HydrophobicContact CG2-CE1 3.96Å; T192-R228 HydrophobicContact CG2-CB 3.78Å; T192-R228 HydrophobicContact CG2-CG 4.05Å; T192-K229 WeakPolarHBondContact O-CE 3.44Å; T192-K229 PolarHBondContact O-NZ 2.95Å
193	N	97.8	Very high	96.7	Very high	69 Å²	69	46.9 Å²	46.9	37%	0.369	26%	0.262	S	S	.	.	S	Bend	trans	-132.7	67.4	177.8	-58.9	-63	0	0	0	110.3	F189 K229	F189-N193 CarbonylContact O-C 3.48Å; F189-N193 WeakPolarHBondContact O-CA 3.43Å; F189-N193 WeakPolarHBondContact O-CB 3.35Å; F189-N193 PolarHBondContact O-N 3.42Å; N193-K229 PolarHBondContact OD1-NZ 2.93Å
194	P	97.5	Very high	96.5	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.058	28%	0.275	C	S	.	.			trans	-65.3	137.1	-175	29.3	-36.6	0	0	0	111.3	M190 L202 V203 L209	M190-P194 WeakPolarHBondContact O-CA 3.35Å; M190-P194 WeakPolarHBondContact O-CB 3.33Å; P194-L202 HydrophobicContact CB-CB 4.2Å; P194-L202 HydrophobicContact CB-CD1 4.05Å; P194-L202 HydrophobicContact CG-CB 4.28Å; P194-L202 PolarHBondContact O-N 2.93Å; P194-V203 HydrophobicContact CG-CG2 3.91Å; P194-L209 HydrophobicContact CG-CD1 3.65Å
195	R	97.1	Very high	96.3	Very high	142 Å²	142	54 Å²	54	54%	0.536	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-129.9	144.6	178.7	-67.9	176.9	-179.1	-89.2	-2.5	110.5	G199 Q200 Y382	R195-G199 WeakPolarHBondContact CD-O 3.35Å; R195-G199 PolarHBondContact NH1-O 2.97Å; R195-Q200 CarbonylContact C-O 3.49Å; R195-Q200 WeakPolarHBondContact CA-O 3.44Å; R195-Q200 WeakPolarHBondContact CB-O 3.34Å; R195-Y382 WeakPolarHBondContact O-CE1 3.44Å; R195-Y382 PolarHBondContact O-OH 2.96Å
196	D	93.7	Very high	96.1	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	32%	0.324	C	S	.	.			trans	-68.3	171.7	174.9	75.4	5.1	0	0	0	111.2	A198 G199 Q200 L202 Y382	D196-A198 PolarHBondContact O-N 3.21Å; D196-A198 VanDerWaalsContact O-N 3.15Å; D196-A198 VanDerWaalsContact OD1-C 3.25Å; D196-A198 VanDerWaalsContact OD1-CA 3.3Å; D196-A198 WeakPolarHBondContact OD1-CA 3.03Å; D196-A198 WeakPolarHBondContact OD1-CB 3.41Å; D196-A198 PolarHBondContact OD1-N 3.01Å; D196-G199 PolarHBondContact O-N 3.37Å; D196-G199 PolarHBondContact OD1-N 3.01Å; D196-Q200 PolarHBondContact N-O 3Å; D196-Q200 PolarHBondContact OD1-N 3.19Å; D196-L202 HydrophobicContact CB-CD2 3.81Å; D196-L202 HydrophobicContact CB-CG 4.21Å; D196-Y382 PolarHBondContact O-OH 2.57Å
197	P	91.5	Very high	96	Very high	72 Å²	72	59.6 Å²	59.6	47%	0.468	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.2	176.5	-26.4	35.6	0	0	0	114.7	G199 Y382	P197-G199 VanDerWaalsContact C-N 3.33Å; P197-Y382 HydrophobicContact CB-CE2 4.19Å; P197-Y382 HydrophobicContact CG-CD1 4.25Å; P197-Y382 HydrophobicContact CG-CD2 3.88Å; P197-Y382 HydrophobicContact CG-CE1 4.24Å; P197-Y382 HydrophobicContact CG-CE2 3.85Å; P197-Y382 HydrophobicContact CG-CG 4.08Å
198	A	94.1	Very high	96.1	Very high	80 Å²	80	59.5 Å²	59.5	66%	0.661	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-1.5	176.1	0	0	0	0	0	113.1	D196	D196-A198 PolarHBondContact O-N 3.21Å; D196-A198 VanDerWaalsContact O-N 3.15Å; D196-A198 VanDerWaalsContact OD1-C 3.25Å; D196-A198 VanDerWaalsContact OD1-CA 3.3Å; D196-A198 WeakPolarHBondContact OD1-CA 3.03Å; D196-A198 WeakPolarHBondContact OD1-CB 3.41Å; D196-A198 PolarHBondContact OD1-N 3.01Å
199	G	94.1	Very high	96.2	Very high	35 Å²	35	53 Å²	53	36%	0.361	30%	0.302	S	S	.	.	S	Bend	trans	85.6	4.4	179.7	0	0	0	0	0	115	R195 D196 P197	R195-G199 WeakPolarHBondContact CD-O 3.35Å; R195-G199 PolarHBondContact NH1-O 2.97Å; D196-G199 PolarHBondContact O-N 3.37Å; D196-G199 PolarHBondContact OD1-N 3.01Å; P197-G199 VanDerWaalsContact C-N 3.33Å
200	Q	95.9	Very high	96.2	Very high	132 Å²	132	51.7 Å²	51.7	62%	0.617	30%	0.296	S	S	*	.			trans	-78.4	151.4	176.2	-52.9	-171.4	21.3	0	0	110.9	R195 D196 L202	R195-Q200 CarbonylContact C-O 3.49Å; R195-Q200 WeakPolarHBondContact CA-O 3.44Å; R195-Q200 WeakPolarHBondContact CB-O 3.34Å; D196-Q200 PolarHBondContact N-O 3Å; D196-Q200 PolarHBondContact OD1-N 3.19Å; Q200-L202 PolarHBondContact O-N 3.43Å
201	T	96	Very high	96.3	Very high	88 Å²	88	51.1 Å²	51.1	54%	0.54	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-64.9	133.7	177.4	179.4	0	0	0	0	110.7	V203	T201-V203 VanDerWaalsContact C-N 3.26Å; T201-V203 PolarHBondContact OG1-N 2.78Å; T201-V203 PolarHBondContact OG1-O 3.42Å
202	L	95	Very high	96.3	Very high	43 Å²	43	51.1 Å²	51.1	23%	0.225	29%	0.293	C	S	.	.	S	Bend	trans	-80.6	-8.9	173.6	-77.3	172.3	0	0	0	113.1	P194 D196 Q200	P194-L202 HydrophobicContact CB-CB 4.2Å; P194-L202 HydrophobicContact CB-CD1 4.05Å; P194-L202 HydrophobicContact CG-CB 4.28Å; P194-L202 PolarHBondContact O-N 2.93Å; D196-L202 HydrophobicContact CB-CD2 3.81Å; D196-L202 HydrophobicContact CB-CG 4.21Å; Q200-L202 PolarHBondContact O-N 3.43Å
203	V	96.8	Very high	96.3	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.139	29%	0.292	C	S	.	.	S	Bend	trans	-120.5	114.9	179.8	-173.6	0	0	0	0	108.4	P194 T201 E207 L209	P194-V203 HydrophobicContact CG-CG2 3.91Å; T201-V203 VanDerWaalsContact C-N 3.26Å; T201-V203 PolarHBondContact OG1-N 2.78Å; T201-V203 PolarHBondContact OG1-O 3.42Å; V203-E207 HydrophobicContact CG1-CB 4.02Å; V203-E207 WeakPolarHBondContact CG1-O 3.14Å; V203-L209 HydrophobicContact CG2-CB 4.34Å; V203-L209 HydrophobicContact CG2-CD1 3.83Å
204	A	95.3	Very high	96.3	Very high	32 Å²	32	47.8 Å²	47.8	26%	0.264	28%	0.275	S	S	.	.			trans	-70.3	160.3	172.6	0	0	0	0	0	111.4	D206 E207	A204-D206 PolarHBondContact O-N 3.46Å; A204-D206 VanDerWaalsContact O-N 3.16Å; A204-E207 HydrophobicContact CB-CB 4.29Å; A204-E207 HydrophobicContact CB-CG 3.94Å; A204-E207 WeakPolarHBondContact CB-OE2 3.28Å; A204-E207 PolarHBondContact N-OE2 3.34Å; A204-E207 PolarHBondContact O-N 2.84Å
205	P	93.5	Very high	96.2	Very high	118 Å²	118	48.6 Å²	48.6	77%	0.766	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.1	-177.8	-27.9	36.6	0	0	0	114.9	K630	P205-K630 WeakPolarHBondContact O-CD 3.47Å; P205-K630 PolarHBondContact O-NZ 2.9Å
206	D	94.7	Very high	95.8	Very high	79 Å²	79	42.2 Å²	42.2	42%	0.422	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.3	179.1	61.3	-48.1	0	0	0	113.9	A204 R633	A204-D206 PolarHBondContact O-N 3.46Å; A204-D206 VanDerWaalsContact O-N 3.16Å; D206-R633 PolarHBondContact O-NH2 3.04Å
207	E	97	Very high	95.7	Very high	84 Å²	84	41.8 Å²	41.8	39%	0.393	26%	0.262	S	S	.	.	S	Bend	trans	-99.1	151.8	178	-70	179.9	153.4	0	0	112.5	V203 A204 K630	V203-E207 HydrophobicContact CG1-CB 4.02Å; V203-E207 WeakPolarHBondContact CG1-O 3.14Å; A204-E207 HydrophobicContact CB-CB 4.29Å; A204-E207 HydrophobicContact CB-CG 3.94Å; A204-E207 WeakPolarHBondContact CB-OE2 3.28Å; A204-E207 PolarHBondContact N-OE2 3.34Å; A204-E207 PolarHBondContact O-N 2.84Å; E207-K630 WeakPolarHBondContact O-CE 3.46Å; E207-K630 PolarHBondContact O-NZ 3.48Å
208	L	98.4	Very high	95.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	25%	0.251	C	S	.	.			trans	-89.6	143.6	175.6	-67.3	169.8	0	0	0	111	Y210 K234 H293 K630 R633	L208-Y210 HydrophobicContact CB-CD2 4.36Å; L208-Y210 HydrophobicContact CB-CE1 4.49Å; L208-Y210 HydrophobicContact CB-CE2 3.84Å; L208-Y210 VanDerWaalsContact O-CD2 3.24Å; L208-Y210 WeakPolarHBondContact O-CD2 3.49Å; L208-Y210 WeakPolarHBondContact O-CE2 3.35Å; L208-Y210 PolarHBondContact O-N 3.23Å; L208-K234 HydrophobicContact CD1-CB 4.4Å; L208-H293 PolarHBondContact O-CE1 2.69Å; L208-K630 HydrophobicContact CD2-CD 4.45Å; L208-K630 HydrophobicContact CD2-CG 3.61Å; L208-K630 HydrophobicContact CG-CG 4.15Å; L208-R633 HydrophobicContact CD1-CB 3.89Å
209	L	98.7	Very high	96.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	102.2	166.3	178.3	64.5	0	0	0	109.8	P194 V203 K229 E232 A233 K234 H293 F294	P194-L209 HydrophobicContact CG-CD1 3.65Å; V203-L209 HydrophobicContact CG2-CB 4.34Å; V203-L209 HydrophobicContact CG2-CD1 3.83Å; L209-K229 HydrophobicContact CD2-CG 3.94Å; L209-E232 PolarHBondContact N-O 3.36Å; L209-A233 HydrophobicContact CB-CB 4.11Å; L209-A233 HydrophobicContact CD2-CB 4.45Å; L209-A233 HydrophobicContact CG-CB 4.48Å; L209-A233 CarbonylContact O-C 3.55Å; L209-A233 WeakPolarHBondContact O-CA 3.02Å; L209-A233 WeakPolarHBondContact O-CB 3.5Å; L209-K234 PolarHBondContact O-N 3.11Å; L209-H293 HydrophobicContact CD1-CB 3.89Å; L209-F294 HydrophobicContact CD1-CD1 4.23Å; L209-F294 HydrophobicContact CD1-CE1 3.92Å; L209-F294 HydrophobicContact CD2-CE1 3.97Å; L209-F294 HydrophobicContact CG-CE1 3.99Å
210	Y	98.9	Very high	96.2	Very high	25 Å²	25	34.7 Å²	34.7	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.7	173.8	-62.3	-85.5	0	0	0	113	L208 K234 F236 H287 T288 H293	L208-Y210 HydrophobicContact CB-CD2 4.36Å; L208-Y210 HydrophobicContact CB-CE1 4.49Å; L208-Y210 HydrophobicContact CB-CE2 3.84Å; L208-Y210 VanDerWaalsContact O-CD2 3.24Å; L208-Y210 WeakPolarHBondContact O-CD2 3.49Å; L208-Y210 WeakPolarHBondContact O-CE2 3.35Å; L208-Y210 PolarHBondContact O-N 3.23Å; Y210-K234 VanDerWaalsContact CA-O 3.31Å; Y210-K234 WeakPolarHBondContact CA-O 3.46Å; Y210-K234 HydrophobicContact CD1-CB 3.95Å; Y210-K234 HydrophobicContact CD1-CD 4.35Å; Y210-K234 HydrophobicContact CD1-CG 4.38Å; Y210-K234 HydrophobicContact CE1-CB 4.06Å; Y210-K234 HydrophobicContact CE1-CD 3.89Å; Y210-K234 HydrophobicContact CE1-CG 4.38Å; Y210-F236 HydrophobicContact CD1-CE2 4.01Å; Y210-F236 HydrophobicContact CD1-CZ 4.36Å; Y210-H287 HydrophobicContact CE1-CB 4.47Å; Y210-T288 HydrophobicContact CD1-CG2 3.93Å; Y210-T288 HydrophobicContact CD2-CG2 4.3Å; Y210-T288 HydrophobicContact CE1-CG2 4.39Å; Y210-T288 HydrophobicContact CG-CG2 3.86Å; Y210-H293 AromaticContact CD2-CE1 3.87Å; Y210-H293 PolarHBondContact N-ND1 3.43Å; Y210-H293 WeakPolarHBondContact O-CB 3.1Å; Y210-H293 PolarHBondContact O-N 3.39Å; Y210-H293 PolarHBondContact O-ND1 3.28Å
211	F	98.9	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.7	174	74.7	-86.1	0	0	0	113.1	D213 V225 L226 A233 K234 G235 F236 F259 F294 M296	F211-D213 HydrophobicContact CE2-CB 4.41Å; F211-V225 HydrophobicContact CD1-CG1 3.65Å; F211-V225 HydrophobicContact CE1-CB 4.17Å; F211-V225 HydrophobicContact CE1-CG1 3.49Å; F211-V225 VanDerWaalsContact CE1-CG1 3.49Å; F211-V225 HydrophobicContact CE2-CB 4.37Å; F211-V225 HydrophobicContact CE2-CG1 4.41Å; F211-V225 HydrophobicContact CG-CG1 4.17Å; F211-V225 HydrophobicContact CZ-CB 4.04Å; F211-V225 HydrophobicContact CZ-CG1 3.89Å; F211-L226 HydrophobicContact CE1-CD2 4.2Å; F211-L226 HydrophobicContact CZ-CD2 4.3Å; F211-L226 HydrophobicContact CZ-CG 4.31Å; F211-A233 HydrophobicContact CD1-CB 4.28Å; F211-A233 HydrophobicContact CE1-CB 4.13Å; F211-K234 PolarHBondContact N-O 3.27Å; F211-G235 VanDerWaalsContact CZ-CA 3.47Å; F211-G235 CarbonylContact O-C 3.46Å; F211-G235 WeakPolarHBondContact O-CA 3.39Å; F211-F236 WeakPolarHBondContact O-CD2 3.47Å; F211-F236 PolarHBondContact O-N 3.47Å; F211-F259 HydrophobicContact CE2-CD2 4.24Å; F211-F259 AromaticContact CE2-CE2 3.96Å; F211-F259 HydrophobicContact CE2-CE2 3.96Å; F211-F259 AromaticContact CZ-CD2 3.95Å; F211-F259 HydrophobicContact CZ-CD2 3.95Å; F211-F259 HydrophobicContact CZ-CE2 4.15Å; F211-F294 WeakPolarHBondContact CA-O 3.48Å; F211-F294 HydrophobicContact CB-CD1 4.06Å; F211-F294 HydrophobicContact CB-CD2 4.01Å; F211-F294 HydrophobicContact CB-CE1 3.59Å; F211-F294 HydrophobicContact CB-CE2 3.55Å; F211-F294 HydrophobicContact CB-CG 4.26Å; F211-F294 HydrophobicContact CB-CZ 3.34Å; F211-F294 HydrophobicContact CD1-CZ 4.4Å; F211-F294 HydrophobicContact CD2-CE2 4.42Å; F211-F294 HydrophobicContact CD2-CZ 4.49Å; F211-F294 HydrophobicContact CG-CE1 4.45Å; F211-F294 HydrophobicContact CG-CE2 4.16Å; F211-F294 AromaticContact CG-CZ 3.87Å; F211-F294 HydrophobicContact CG-CZ 3.87Å; F211-M296 HydrophobicContact CD2-CE 3.71Å; F211-M296 HydrophobicContact CE2-CE 3.93Å
212	T	98.9	Very high	96.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.2	170.6	-55.1	0	0	0	0	110.8	M214 F236 I284 V292 F294 A295 M296 I328	T212-M214 HydrophobicContact CG2-CG 3.72Å; T212-M214 HydrophobicContact CG2-SD 4.4Å; T212-F236 CarbonylContact C-O 3.54Å; T212-F236 VanDerWaalsContact CA-O 3.26Å; T212-F236 WeakPolarHBondContact CA-O 3.3Å; T212-F236 HydrophobicContact CG2-CB 4.33Å; T212-F236 WeakPolarHBondContact CG2-O 3.5Å; T212-I284 HydrophobicContact CG2-CD1 4.34Å; T212-I284 WeakPolarHBondContact OG1-CD1 3.34Å; T212-V292 WeakPolarHBondContact OG1-CG1 3.38Å; T212-F294 PolarHBondContact N-O 3.01Å; T212-F294 VanDerWaalsContact N-O 3.15Å; T212-A295 CarbonylContact O-C 3.59Å; T212-A295 WeakPolarHBondContact O-CA 3.47Å; T212-M296 PolarHBondContact O-N 3.18Å; T212-I328 HydrophobicContact CG2-CD1 3.69Å
213	D	98.6	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.4	175.1	-162.2	15.9	0	0	0	109.7	F211 A216 F221 S222 F236 F238 F259 M296	F211-D213 HydrophobicContact CE2-CB 4.41Å; D213-A216 HydrophobicContact CB-CB 4.22Å; D213-A216 WeakPolarHBondContact OD1-CB 3.35Å; D213-A216 VanDerWaalsContact OD2-CB 3.3Å; D213-A216 WeakPolarHBondContact OD2-CB 3.34Å; D213-F221 WeakPolarHBondContact OD2-CB 3.04Å; D213-S222 WeakPolarHBondContact CB-OG 3.4Å; D213-S222 VanDerWaalsContact CG-OG 3.29Å; D213-S222 WeakPolarHBondContact OD2-CB 3.28Å; D213-S222 PolarHBondContact OD2-N 2.98Å; D213-S222 PolarHBondContact OD2-OG 2.96Å; D213-F236 PolarHBondContact N-O 3.39Å; D213-F238 PolarHBondContact O-N 3.29Å; D213-F259 HydrophobicContact CB-CE2 4.45Å; D213-F259 HydrophobicContact CB-CZ 4.49Å; D213-M296 HydrophobicContact CB-CE 4.08Å
214	M	97.7	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.6	-170.8	-59.8	174.9	-64.2	0	0	111.3	T212 A216 F238 I271 A295 M296 A297 T324 A325 I328 F335	T212-M214 HydrophobicContact CG2-CG 3.72Å; T212-M214 HydrophobicContact CG2-SD 4.4Å; M214-A216 PolarHBondContact O-N 3.25Å; M214-A216 VanDerWaalsContact O-N 3.15Å; M214-F238 CarbonylContact C-O 3.37Å; M214-F238 WeakPolarHBondContact CA-O 3.5Å; M214-I271 HydrophobicContact CB-CD1 4.25Å; M214-A295 HydrophobicContact CE-CB 4.01Å; M214-M296 PolarHBondContact N-O 3.33Å; M214-A297 HydrophobicContact CB-CB 4.22Å; M214-A297 HydrophobicContact CE-CB 4.16Å; M214-A297 WeakPolarHBondContact O-CA 3.3Å; M214-T324 HydrophobicContact SD-CG2 3.43Å; M214-T324 WeakPolarHBondContact SD-CG2 3.36Å; M214-A325 HydrophobicContact CE-CB 4.09Å; M214-I328 HydrophobicContact SD-CD1 3.92Å; M214-F335 HydrophobicContact CE-CE2 3.71Å; M214-F335 HydrophobicContact CE-CZ 4.35Å
215	C	95.7	Very high	96.8	Very high	25 Å²	25	19.6 Å²	19.6	17%	0.169	12%	0.118	C	C	.	.	S	Bend	trans	53.9	32	-179.6	-55	0	0	0	0	113	F238 I271	C215-F238 PolarHBondContact N-O 2.79Å; C215-I271 VanDerWaalsContact SG-CD1 3.6Å
216	A	88.7	Confident	97.1	Very high	8 Å²	8	14.1 Å²	14.1	7%	0.066	8%	0.082	C	C	.	.			trans	-111.2	14.2	-162.6	0	0	0	0	0	114.5	D213 M214 G219 F246	D213-A216 HydrophobicContact CB-CB 4.22Å; D213-A216 WeakPolarHBondContact OD1-CB 3.35Å; D213-A216 VanDerWaalsContact OD2-CB 3.3Å; D213-A216 WeakPolarHBondContact OD2-CB 3.34Å; M214-A216 PolarHBondContact O-N 3.25Å; M214-A216 VanDerWaalsContact O-N 3.15Å; A216-G219 VanDerWaalsContact O-CA 3.28Å; A216-G219 WeakPolarHBondContact O-CA 3.24Å; A216-G219 PolarHBondContact O-N 3.48Å; A216-F246 HydrophobicContact CB-CE1 4.31Å
217	G	92.2	Very high	97.2	Very high	27 Å²	27	13.9 Å²	13.9	28%	0.278	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	128.5	172.1	0	0	0	0	0	110.7	T239 N244	G217-T239 PolarHBondContact N-OG1 3.38Å; G217-N244 WeakPolarHBondContact CA-O 3.34Å
218	P	96	Very high	97.3	Very high	37 Å²	37	13.4 Å²	13.4	24%	0.24	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.3	5.6	18.3	39.1	-39.8	0	0	0	116	L173 K247	L173-P218 HydrophobicContact CD2-CB 3.84Å; L173-P218 HydrophobicContact CD2-CG 3.77Å; L173-P218 HydrophobicContact CG-CG 4.27Å; P218-K247 HydrophobicContact CB-CB 4.01Å; P218-K247 HydrophobicContact CB-CG 3.54Å; P218-K247 PolarHBondContact O-N 3.12Å
219	G	96.5	Very high	97.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	111	32.1	172.2	0	0	0	0	0	116	A216 S222 E223 F251	A216-G219 VanDerWaalsContact O-CA 3.28Å; A216-G219 WeakPolarHBondContact O-CA 3.24Å; A216-G219 PolarHBondContact O-N 3.48Å; G219-S222 PolarHBondContact O-N 2.72Å; G219-E223 PolarHBondContact O-N 3.03Å; G219-F251 VanDerWaalsContact O-CZ 3.28Å; G219-F251 WeakPolarHBondContact O-CZ 3.47Å
220	G	97.1	Very high	97.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-45.5	-177.4	0	0	0	0	0	113.7	N174 A177 E223 Y224	N174-G220 VanDerWaalsContact OD1-CA 3.3Å; N174-G220 WeakPolarHBondContact OD1-CA 3.5Å; A177-G220 VanDerWaalsContact CA-O 3.27Å; A177-G220 WeakPolarHBondContact CA-O 3.36Å; A177-G220 WeakPolarHBondContact CB-O 3.43Å; G220-E223 PolarHBondContact O-N 2.9Å; G220-Y224 PolarHBondContact O-N 2.72Å; G220-Y224 VanDerWaalsContact O-N 3.17Å
221	F	98.3	Very high	97.1	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-45.3	178	-78.2	16	0	0	0	111	A176 K179 M180 D213 E223 Y224 V225 M296 D298 Y377	A176-F221 HydrophobicContact CB-CD1 3.96Å; A176-F221 HydrophobicContact CB-CE1 3.93Å; A176-F221 WeakPolarHBondContact O-CD1 3.25Å; A176-F221 WeakPolarHBondContact O-CE1 3.44Å; K179-F221 HydrophobicContact CB-CE1 4.3Å; M180-F221 HydrophobicContact CB-CB 4.41Å; M180-F221 HydrophobicContact CB-CD1 3.57Å; M180-F221 HydrophobicContact CB-CE1 3.85Å; M180-F221 HydrophobicContact CB-CG 3.92Å; M180-F221 HydrophobicContact CB-CZ 4.41Å; M180-F221 HydrophobicContact CG-CB 4.38Å; M180-F221 HydrophobicContact CG-CD1 4.29Å; M180-F221 HydrophobicContact CG-CD2 4.46Å; M180-F221 HydrophobicContact CG-CG 4.13Å; M180-F221 HydrophobicContact SD-CD2 4Å; M180-F221 HydrophobicContact SD-CE2 4.04Å; M180-F221 HydrophobicContact SD-CG 4.27Å; M180-F221 HydrophobicContact SD-CZ 4.39Å; D213-F221 WeakPolarHBondContact OD2-CB 3.04Å; F221-E223 PolarHBondContact O-N 3.06Å; F221-Y224 PolarHBondContact O-N 2.76Å; F221-V225 PolarHBondContact O-N 2.88Å; F221-V225 VanDerWaalsContact O-N 3.11Å; F221-M296 HydrophobicContact CB-CE 3.82Å; F221-M296 HydrophobicContact CB-SD 4.01Å; F221-M296 HydrophobicContact CD2-CB 3.7Å; F221-M296 HydrophobicContact CD2-CG 4.47Å; F221-M296 HydrophobicContact CD2-SD 4.15Å; F221-M296 HydrophobicContact CE2-CB 4.33Å; F221-M296 HydrophobicContact CG-SD 4.44Å; F221-D298 HydrophobicContact CD2-CB 4.17Å; F221-D298 HydrophobicContact CE1-CB 4.28Å; F221-D298 HydrophobicContact CE2-CB 3.81Å; F221-D298 HydrophobicContact CZ-CB 3.89Å; F221-Y377 HydrophobicContact CE2-CE1 4.42Å; F221-Y377 AromaticContact CZ-CE1 3.87Å; F221-Y377 HydrophobicContact CZ-CE1 3.87Å
222	S	98.5	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-53.9	-48.9	171.9	-65.8	0	0	0	0	113.3	D213 G219 Y224 V225 L226 F259	D213-S222 WeakPolarHBondContact CB-OG 3.4Å; D213-S222 VanDerWaalsContact CG-OG 3.29Å; D213-S222 WeakPolarHBondContact OD2-CB 3.28Å; D213-S222 PolarHBondContact OD2-N 2.98Å; D213-S222 PolarHBondContact OD2-OG 2.96Å; G219-S222 PolarHBondContact O-N 2.72Å; S222-Y224 VanDerWaalsContact C-N 3.3Å; S222-Y224 PolarHBondContact O-N 2.71Å; S222-V225 PolarHBondContact O-N 3.16Å; S222-L226 WeakPolarHBondContact O-CB 3.49Å; S222-L226 VanDerWaalsContact O-CG 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.22Å; S222-L226 PolarHBondContact O-N 2.98Å; S222-F259 WeakPolarHBondContact OG-CE2 3.23Å; S222-F259 WeakPolarHBondContact OG-CZ 3.44Å
223	E	98.4	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-38.1	179.4	-168.4	-173.7	-156.4	0	0	111.9	F172 L173 G219 G220 F221 Y227 F251 F252 A253 A254	F172-E223 WeakPolarHBondContact CA-OE2 3.4Å; F172-E223 WeakPolarHBondContact CB-OE2 3.25Å; F172-E223 HydrophobicContact CD1-CG 4.1Å; L173-E223 VanDerWaalsContact CB-OE2 3.27Å; L173-E223 WeakPolarHBondContact CB-OE2 3.26Å; L173-E223 PolarHBondContact N-OE2 3.18Å; G219-E223 PolarHBondContact O-N 3.03Å; G220-E223 PolarHBondContact O-N 2.9Å; F221-E223 PolarHBondContact O-N 3.06Å; E223-Y227 VanDerWaalsContact O-CB 3.23Å; E223-Y227 WeakPolarHBondContact O-CB 3.28Å; E223-Y227 PolarHBondContact O-N 3.32Å; E223-F251 HydrophobicContact CB-CD1 4.43Å; E223-F251 HydrophobicContact CB-CD2 4.11Å; E223-F251 HydrophobicContact CB-CE2 4.21Å; E223-F251 HydrophobicContact CB-CG 4.24Å; E223-F251 HydrophobicContact CB-CZ 4.42Å; E223-F251 HydrophobicContact CG-CB 4.28Å; E223-F251 HydrophobicContact CG-CD2 4.28Å; E223-F251 HydrophobicContact CG-CG 4.15Å; E223-F251 WeakPolarHBondContact OE1-CA 3.49Å; E223-F252 PolarHBondContact OE1-N 2.7Å; E223-A253 HydrophobicContact CG-CB 4.25Å; E223-A253 PolarHBondContact OE1-N 2.77Å; E223-A254 HydrophobicContact CG-CB 4.03Å; E223-A254 WeakPolarHBondContact O-CB 3.41Å
224	Y	98.6	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-49.2	175	166	-103.7	0	0	0	112.2	F172 M180 A181 D184 T192 G220 F221 S222 L226 Y227 R228	F172-Y224 AromaticContact CZ-CD2 3.96Å; F172-Y224 HydrophobicContact CZ-CD2 3.96Å; M180-Y224 HydrophobicContact CB-CD1 3.86Å; M180-Y224 HydrophobicContact CB-CG 4.27Å; M180-Y224 HydrophobicContact CG-CD1 3.49Å; M180-Y224 VanDerWaalsContact CG-CD1 3.49Å; M180-Y224 HydrophobicContact CG-CE1 4.02Å; M180-Y224 HydrophobicContact CG-CG 4.36Å; A181-Y224 VanDerWaalsContact CA-CE2 3.44Å; A181-Y224 HydrophobicContact CB-CD2 3.54Å; A181-Y224 HydrophobicContact CB-CE2 3.35Å; A181-Y224 HydrophobicContact CB-CG 4.32Å; D184-Y224 HydrophobicContact CB-CE1 3.87Å; D184-Y224 WeakPolarHBondContact CB-OH 3.48Å; D184-Y224 PolarHBondContact OD2-OH 3.18Å; T192-Y224 HydrophobicContact CG2-CE1 3.96Å; G220-Y224 PolarHBondContact O-N 2.72Å; G220-Y224 VanDerWaalsContact O-N 3.17Å; F221-Y224 PolarHBondContact O-N 2.76Å; S222-Y224 VanDerWaalsContact C-N 3.3Å; S222-Y224 PolarHBondContact O-N 2.71Å; Y224-L226 VanDerWaalsContact C-N 3.33Å; Y224-L226 PolarHBondContact O-N 2.91Å; Y224-Y227 WeakPolarHBondContact O-CB 3.5Å; Y224-Y227 PolarHBondContact O-N 3.37Å; Y224-Y227 VanDerWaalsContact O-N 3.16Å; Y224-R228 HydrophobicContact CD2-CG 4.07Å; Y224-R228 HydrophobicContact CE1-CG 4.26Å; Y224-R228 HydrophobicContact CE2-CG 3.46Å; Y224-R228 VanDerWaalsContact CE2-CG 3.46Å; Y224-R228 WeakPolarHBondContact O-CG 3.16Å; Y224-R228 PolarHBondContact O-N 3.34Å
225	V	98.7	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-45.4	-179.5	175.4	0	0	0	0	110.3	F211 F221 S222 Y227 R228 K229 A233 F294 M296	F211-V225 HydrophobicContact CD1-CG1 3.65Å; F211-V225 HydrophobicContact CE1-CB 4.17Å; F211-V225 HydrophobicContact CE1-CG1 3.49Å; F211-V225 VanDerWaalsContact CE1-CG1 3.49Å; F211-V225 HydrophobicContact CE2-CB 4.37Å; F211-V225 HydrophobicContact CE2-CG1 4.41Å; F211-V225 HydrophobicContact CG-CG1 4.17Å; F211-V225 HydrophobicContact CZ-CB 4.04Å; F211-V225 HydrophobicContact CZ-CG1 3.89Å; F221-V225 PolarHBondContact O-N 2.88Å; F221-V225 VanDerWaalsContact O-N 3.11Å; S222-V225 PolarHBondContact O-N 3.16Å; V225-Y227 VanDerWaalsContact C-N 3.31Å; V225-Y227 PolarHBondContact O-N 2.9Å; V225-R228 PolarHBondContact O-N 2.94Å; V225-K229 WeakPolarHBondContact O-CB 3.33Å; V225-K229 PolarHBondContact O-N 2.97Å; V225-A233 HydrophobicContact CG1-CB 4.37Å; V225-F294 HydrophobicContact CG1-CZ 3.96Å; V225-F294 HydrophobicContact CG2-CE2 4.12Å; V225-F294 HydrophobicContact CG2-CZ 3.94Å; V225-M296 HydrophobicContact CG2-CE 3.72Å; V225-M296 HydrophobicContact CG2-SD 3.89Å
226	L	98.4	Very high	97.2	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-68.5	-27.9	177.5	-62.6	171.8	0	0	0	112.6	F211 S222 Y224 S230 F251 A254 S258 F259	F211-L226 HydrophobicContact CE1-CD2 4.2Å; F211-L226 HydrophobicContact CZ-CD2 4.3Å; F211-L226 HydrophobicContact CZ-CG 4.31Å; S222-L226 WeakPolarHBondContact O-CB 3.49Å; S222-L226 VanDerWaalsContact O-CG 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.22Å; S222-L226 PolarHBondContact O-N 2.98Å; Y224-L226 VanDerWaalsContact C-N 3.33Å; Y224-L226 PolarHBondContact O-N 2.91Å; L226-S230 WeakPolarHBondContact O-CA 3.32Å; L226-S230 PolarHBondContact O-N 3.14Å; L226-F251 HydrophobicContact CD1-CD2 4.15Å; L226-F251 HydrophobicContact CD1-CE2 4.02Å; L226-A254 VanDerWaalsContact C-CB 3.5Å; L226-A254 HydrophobicContact CB-CB 3.58Å; L226-S258 WeakPolarHBondContact CD2-OG 3.37Å; L226-F259 HydrophobicContact CD1-CB 3.92Å; L226-F259 HydrophobicContact CD1-CD2 4.49Å; L226-F259 HydrophobicContact CD1-CG 4.42Å
227	Y	97.8	Very high	97.7	Very high	74 Å²	74	17.1 Å²	17.1	29%	0.29	9%	0.087	S	C	.	.	H	α-helix	trans	-66.8	-40.8	171.4	163	-101.7	0	0	0	110.9	I171 F172 E223 Y224 V225 A253 L478 P479	I171-Y227 HydrophobicContact CD1-CD2 4.02Å; I171-Y227 HydrophobicContact CD1-CE1 4.48Å; I171-Y227 HydrophobicContact CD1-CE2 3.62Å; F172-Y227 HydrophobicContact CE1-CD1 4Å; F172-Y227 AromaticContact CE1-CG 3.86Å; F172-Y227 HydrophobicContact CE1-CG 3.86Å; F172-Y227 AromaticContact CZ-CD1 3.82Å; F172-Y227 HydrophobicContact CZ-CD1 3.82Å; F172-Y227 HydrophobicContact CZ-CE1 4.33Å; F172-Y227 HydrophobicContact CZ-CG 4.15Å; E223-Y227 VanDerWaalsContact O-CB 3.23Å; E223-Y227 WeakPolarHBondContact O-CB 3.28Å; E223-Y227 PolarHBondContact O-N 3.32Å; Y224-Y227 WeakPolarHBondContact O-CB 3.5Å; Y224-Y227 PolarHBondContact O-N 3.37Å; Y224-Y227 VanDerWaalsContact O-N 3.16Å; V225-Y227 VanDerWaalsContact C-N 3.31Å; V225-Y227 PolarHBondContact O-N 2.9Å; Y227-A253 HydrophobicContact CD2-CB 4.28Å; Y227-A253 WeakPolarHBondContact CD2-O 3.38Å; Y227-L478 HydrophobicContact CD1-CD2 4.4Å; Y227-L478 HydrophobicContact CE1-CD2 3.81Å; Y227-P479 WeakPolarHBondContact OH-CD 3.13Å
228	R	97.9	Very high	98	Very high	74 Å²	74	15.9 Å²	15.9	28%	0.279	7%	0.074	S	C	.	.	H	α-helix	trans	-74.9	-31.7	-179.7	-67.4	-70.4	-70	-164.7	-6.2	113	F189 T192 Y224 V225	F189-R228 VanDerWaalsContact CD1-NH2 3.28Å; F189-R228 VanDerWaalsContact CE1-NH2 3.29Å; T192-R228 HydrophobicContact CG2-CB 3.78Å; T192-R228 HydrophobicContact CG2-CG 4.05Å; Y224-R228 HydrophobicContact CD2-CG 4.07Å; Y224-R228 HydrophobicContact CE1-CG 4.26Å; Y224-R228 HydrophobicContact CE2-CG 3.46Å; Y224-R228 VanDerWaalsContact CE2-CG 3.46Å; Y224-R228 WeakPolarHBondContact O-CG 3.16Å; Y224-R228 PolarHBondContact O-N 3.34Å; V225-R228 PolarHBondContact O-N 2.94Å
229	K	97.7	Very high	98.1	Very high	44 Å²	44	14.4 Å²	14.4	19%	0.191	6%	0.064	C	C	.	.	H	α-helix	trans	-121	-12.8	-169.7	-66.1	-59	-172.8	172.4	0	116.2	T192 N193 L209 V225 W231 E232 A233	T192-K229 WeakPolarHBondContact O-CE 3.44Å; T192-K229 PolarHBondContact O-NZ 2.95Å; N193-K229 PolarHBondContact OD1-NZ 2.93Å; L209-K229 HydrophobicContact CD2-CG 3.94Å; V225-K229 WeakPolarHBondContact O-CB 3.33Å; V225-K229 PolarHBondContact O-N 2.97Å; K229-W231 PolarHBondContact O-N 3.25Å; K229-E232 WeakPolarHBondContact O-CB 3.13Å; K229-E232 PolarHBondContact O-N 3.05Å; K229-A233 HydrophobicContact CB-CB 3.6Å; K229-A233 HydrophobicContact CG-CB 4.37Å
230	S	97.1	Very high	98.1	Very high	27 Å²	27	18.1 Å²	18.1	19%	0.189	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	50.9	-142.6	-177.5	-162.6	0	0	0	0	110	L226 E232 A233 Q577	L226-S230 WeakPolarHBondContact O-CA 3.32Å; L226-S230 PolarHBondContact O-N 3.14Å; S230-E232 PolarHBondContact O-N 3.4Å; S230-A233 PolarHBondContact O-N 2.97Å; S230-Q577 PolarHBondContact OG-NE2 3.25Å; S230-Q577 PolarHBondContact OG-OE1 2.82Å
231	W	97.5	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64	-10.3	174	58.6	-90.7	0	0	0	115.5	K229 A233 L611 V614 M627 K630 F631 S634 L635	K229-W231 PolarHBondContact O-N 3.25Å; W231-A233 PolarHBondContact O-N 2.83Å; W231-L611 HydrophobicContact CH2-CD1 4.32Å; W231-L611 HydrophobicContact CZ2-CB 3.81Å; W231-L611 HydrophobicContact CZ2-CD1 4.32Å; W231-L611 PolarHBondContact NE1-O 2.91Å; W231-V614 HydrophobicContact CZ2-CB 4.17Å; W231-V614 HydrophobicContact CZ2-CG2 4.21Å; W231-M627 HydrophobicContact CH2-CB 4.39Å; W231-M627 HydrophobicContact CH2-CE 4.02Å; W231-M627 HydrophobicContact CZ2-CE 4.19Å; W231-K630 HydrophobicContact CZ3-CB 4.11Å; W231-K630 HydrophobicContact CZ3-CD 4.06Å; W231-K630 HydrophobicContact CZ3-CG 3.89Å; W231-F631 HydrophobicContact CB-CD2 3.84Å; W231-F631 HydrophobicContact CB-CE2 4.03Å; W231-F631 AromaticContact CD1-CD2 3.94Å; W231-F631 AromaticContact CD1-CE2 3.96Å; W231-F631 HydrophobicContact CD2-CB 4.35Å; W231-F631 AromaticContact CD2-CD2 3.46Å; W231-F631 HydrophobicContact CD2-CD2 3.46Å; W231-F631 VanDerWaalsContact CD2-CD2 3.46Å; W231-F631 HydrophobicContact CD2-CE2 4.24Å; W231-F631 HydrophobicContact CD2-CG 4.39Å; W231-F631 AromaticContact CE2-CD2 3.85Å; W231-F631 HydrophobicContact CE3-CB 3.85Å; W231-F631 AromaticContact CE3-CD2 3.79Å; W231-F631 HydrophobicContact CE3-CD2 3.79Å; W231-F631 HydrophobicContact CE3-CG 4.34Å; W231-F631 AromaticContact CG-CD2 3.49Å; W231-F631 HydrophobicContact CG-CD2 3.49Å; W231-F631 VanDerWaalsContact CG-CD2 3.49Å; W231-F631 AromaticContact CG-CE2 3.82Å; W231-F631 HydrophobicContact CG-CE2 3.82Å; W231-F631 HydrophobicContact CH2-CB 4.22Å; W231-F631 HydrophobicContact CZ2-CD2 4.48Å; W231-F631 HydrophobicContact CZ3-CB 3.78Å; W231-F631 HydrophobicContact CZ3-CD2 4.41Å; W231-S634 WeakPolarHBondContact O-CB 3.1Å; W231-S634 PolarHBondContact O-OG 2.93Å; W231-L635 HydrophobicContact CB-CD2 4.45Å
232	E	98.2	Very high	97.7	Very high	71 Å²	71	25.6 Å²	25.6	33%	0.332	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-72.5	-8.9	176	-60.1	-164.3	82.4	0	0	112.7	L209 K229 S230 K630	L209-E232 PolarHBondContact N-O 3.36Å; K229-E232 WeakPolarHBondContact O-CB 3.13Å; K229-E232 PolarHBondContact O-N 3.05Å; S230-E232 PolarHBondContact O-N 3.4Å; E232-K630 IonicContact OE1-NZ 3.16Å; E232-K630 PolarHBondContact OE1-NZ 3.18Å
233	A	98.5	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.3	168.6	0	0	0	0	0	111.3	L209 F211 V225 K229 S230 W231 S258	L209-A233 HydrophobicContact CB-CB 4.11Å; L209-A233 HydrophobicContact CD2-CB 4.45Å; L209-A233 HydrophobicContact CG-CB 4.48Å; L209-A233 CarbonylContact O-C 3.55Å; L209-A233 WeakPolarHBondContact O-CA 3.02Å; L209-A233 WeakPolarHBondContact O-CB 3.5Å; F211-A233 HydrophobicContact CD1-CB 4.28Å; F211-A233 HydrophobicContact CE1-CB 4.13Å; V225-A233 HydrophobicContact CG1-CB 4.37Å; K229-A233 HydrophobicContact CB-CB 3.6Å; K229-A233 HydrophobicContact CG-CB 4.37Å; S230-A233 PolarHBondContact O-N 2.97Å; W231-A233 PolarHBondContact O-N 2.83Å; A233-S258 WeakPolarHBondContact O-CB 3.5Å; A233-S258 PolarHBondContact O-OG 2.96Å
234	K	98.5	Very high	97	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.7	168.8	-175	173.1	-168.9	98.3	0	109.1	L208 L209 Y210 F211 F236 S258 R633 S634 N636	L208-K234 HydrophobicContact CD1-CB 4.4Å; L209-K234 PolarHBondContact O-N 3.11Å; Y210-K234 VanDerWaalsContact CA-O 3.31Å; Y210-K234 WeakPolarHBondContact CA-O 3.46Å; Y210-K234 HydrophobicContact CD1-CB 3.95Å; Y210-K234 HydrophobicContact CD1-CD 4.35Å; Y210-K234 HydrophobicContact CD1-CG 4.38Å; Y210-K234 HydrophobicContact CE1-CB 4.06Å; Y210-K234 HydrophobicContact CE1-CD 3.89Å; Y210-K234 HydrophobicContact CE1-CG 4.38Å; F211-K234 PolarHBondContact N-O 3.27Å; K234-F236 HydrophobicContact CD-CZ 4.23Å; K234-F236 HydrophobicContact CG-CZ 4.33Å; K234-S258 WeakPolarHBondContact CA-O 3.26Å; K234-R633 PolarHBondContact NZ-O 3Å; K234-S634 PolarHBondContact NZ-O 2.76Å; K234-N636 PolarHBondContact NZ-O 3.36Å
235	G	98.5	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.4	-176.9	0	0	0	0	0	112.6	F211 S258 F259 D260	F211-G235 VanDerWaalsContact CZ-CA 3.47Å; F211-G235 CarbonylContact O-C 3.46Å; F211-G235 WeakPolarHBondContact O-CA 3.39Å; G235-S258 PolarHBondContact N-O 2.82Å; G235-F259 WeakPolarHBondContact O-CA 3.5Å; G235-D260 PolarHBondContact O-N 2.99Å
236	F	98.6	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.6	170.6	-55.2	-79.5	0	0	0	109.6	Y210 F211 T212 D213 K234 D260 Y283 I284 H287 V292	Y210-F236 HydrophobicContact CD1-CE2 4.01Å; Y210-F236 HydrophobicContact CD1-CZ 4.36Å; F211-F236 WeakPolarHBondContact O-CD2 3.47Å; F211-F236 PolarHBondContact O-N 3.47Å; T212-F236 CarbonylContact C-O 3.54Å; T212-F236 VanDerWaalsContact CA-O 3.26Å; T212-F236 WeakPolarHBondContact CA-O 3.3Å; T212-F236 HydrophobicContact CG2-CB 4.33Å; T212-F236 WeakPolarHBondContact CG2-O 3.5Å; D213-F236 PolarHBondContact N-O 3.39Å; K234-F236 HydrophobicContact CD-CZ 4.23Å; K234-F236 HydrophobicContact CG-CZ 4.33Å; F236-D260 CarbonylContact C-O 3.44Å; F236-D260 VanDerWaalsContact CA-O 3.28Å; F236-D260 WeakPolarHBondContact CA-O 3.45Å; F236-D260 HydrophobicContact CD1-CB 4.16Å; F236-Y283 HydrophobicContact CD1-CD1 4.15Å; F236-Y283 AromaticContact CD1-CE1 3.96Å; F236-Y283 HydrophobicContact CD1-CE1 3.96Å; F236-Y283 HydrophobicContact CE1-CD1 4.31Å; F236-Y283 HydrophobicContact CE1-CE1 4Å; F236-I284 HydrophobicContact CB-CD1 4.47Å; F236-I284 HydrophobicContact CB-CG1 4.31Å; F236-I284 HydrophobicContact CD1-CG1 4.43Å; F236-I284 HydrophobicContact CD2-CD1 4.4Å; F236-I284 HydrophobicContact CD2-CG1 3.84Å; F236-I284 HydrophobicContact CE2-CG1 4.26Å; F236-I284 HydrophobicContact CG-CG1 3.92Å; F236-H287 HydrophobicContact CE1-CB 4.35Å; F236-H287 AromaticContact CE1-CE1 3.84Å; F236-H287 AromaticContact CE1-CG 3.91Å; F236-H287 AromaticContact CE1-ND1 3.61Å; F236-H287 HydrophobicContact CZ-CB 3.68Å; F236-H287 AromaticContact CZ-CG 3.74Å; F236-H287 AromaticContact CZ-ND1 3.86Å; F236-V292 HydrophobicContact CD2-CG1 3.99Å; F236-V292 HydrophobicContact CE2-CG1 4.19Å
237	G	98.3	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.7	178	0	0	0	0	0	111.2	F246 D260 T261 F262	G237-F246 VanDerWaalsContact C-CE2 3.43Å; G237-F246 VanDerWaalsContact CA-CE2 3.48Å; G237-D260 PolarHBondContact N-O 3.18Å; G237-T261 WeakPolarHBondContact O-CA 3.45Å; G237-F262 PolarHBondContact O-N 3.46Å
238	F	98.4	Very high	96.5	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	111.8	174.3	-171.6	-85.8	0	0	0	110.1	D213 M214 C215 F262 G269 I271 N276 L280	D213-F238 PolarHBondContact O-N 3.29Å; M214-F238 CarbonylContact C-O 3.37Å; M214-F238 WeakPolarHBondContact CA-O 3.5Å; C215-F238 PolarHBondContact N-O 2.79Å; F238-F262 HydrophobicContact CD2-CD1 4.22Å; F238-F262 WeakPolarHBondContact CD2-O 3.46Å; F238-F262 HydrophobicContact CE2-CD1 4.45Å; F238-G269 VanDerWaalsContact CE1-O 3.25Å; F238-G269 WeakPolarHBondContact CE1-O 3.26Å; F238-I271 HydrophobicContact CD1-CB 4.45Å; F238-I271 HydrophobicContact CD1-CG1 4.49Å; F238-I271 HydrophobicContact CE1-CB 3.88Å; F238-I271 HydrophobicContact CE1-CG1 4.17Å; F238-N276 HydrophobicContact CE2-CB 4.35Å; F238-N276 HydrophobicContact CZ-CB 3.88Å; F238-L280 HydrophobicContact CB-CD1 4.37Å; F238-L280 HydrophobicContact CB-CD2 3.86Å; F238-L280 HydrophobicContact CD2-CB 4.19Å; F238-L280 HydrophobicContact CD2-CD1 4.08Å; F238-L280 HydrophobicContact CD2-CD2 3.79Å; F238-L280 HydrophobicContact CD2-CG 4.23Å; F238-L280 HydrophobicContact CE2-CB 4.36Å; F238-L280 HydrophobicContact CE2-CD2 4.5Å; F238-L280 HydrophobicContact CG-CD2 3.8Å
239	T	97.8	Very high	96.2	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.031	22%	0.22	C	C	.	.			trans	-153.5	159.7	-178.3	-165.3	0	0	0	0	110	G217 R241 N244 F246 Y263 G269	G217-T239 PolarHBondContact N-OG1 3.38Å; T239-R241 PolarHBondContact O-N 3.35Å; T239-N244 VanDerWaalsContact CG2-O 3.26Å; T239-N244 WeakPolarHBondContact CG2-O 3.4Å; T239-N244 PolarHBondContact OG1-O 2.78Å; T239-F246 HydrophobicContact CG2-CD2 3.41Å; T239-F246 VanDerWaalsContact CG2-CD2 3.41Å; T239-F246 HydrophobicContact CG2-CE2 3.32Å; T239-F246 HydrophobicContact CG2-CG 4.17Å; T239-F246 HydrophobicContact CG2-CZ 4.01Å; T239-Y263 HydrophobicContact CG2-CE1 4.5Å; T239-Y263 VanDerWaalsContact O-CD1 3.3Å; T239-Y263 WeakPolarHBondContact O-CD1 3.37Å; T239-G269 WeakPolarHBondContact O-CA 3.44Å
240	L	97.3	Very high	96.1	Very high	79 Å²	79	42.1 Å²	42.1	41%	0.414	23%	0.23	S	C	.	.			trans	-56.8	134.8	174.2	-71.3	169.7	0	0	0	111.2	N244 D245 D268 N270	L240-N244 HydrophobicContact CB-CB 4.11Å; L240-N244 CarbonylContact O-C 3.6Å; L240-D245 PolarHBondContact O-N 2.92Å; L240-D268 WeakPolarHBondContact CA-O 3.49Å; L240-N270 HydrophobicContact CD2-CB 4.16Å
241	R	93.7	Very high	96	Very high	109 Å²	109	41.3 Å²	41.3	41%	0.411	22%	0.223	S	C	.	.	S	Bend	trans	-64.1	165.1	173.5	-74	-162.4	-175.8	-89.1	7	112.4	T239 Y263 E267 D268	T239-R241 PolarHBondContact O-N 3.35Å; R241-Y263 HydrophobicContact CG-CD1 3.49Å; R241-Y263 VanDerWaalsContact CG-CD1 3.49Å; R241-Y263 HydrophobicContact CG-CE1 3.81Å; R241-Y263 HydrophobicContact CG-CG 4.03Å; R241-E267 WeakPolarHBondContact CD-O 3.48Å; R241-E267 PolarHBondContact NE-O 3.49Å; R241-E267 IonicContact NH2-OE2 2.94Å; R241-E267 PolarHBondContact NH2-OE2 3.47Å; R241-D268 PolarHBondContact N-O 3.37Å
242	G	93.1	Very high	95.8	Very high	51 Å²	51	44.3 Å²	44.3	53%	0.526	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	84.9	-121.2	173.5	0	0	0	0	0	113.1	N244 D245 K247	G242-N244 VanDerWaalsContact C-N 3.26Å; G242-N244 PolarHBondContact O-N 2.75Å; G242-D245 WeakPolarHBondContact O-CB 3.33Å; G242-D245 PolarHBondContact O-N 3.05Å; G242-K247 PolarHBondContact O-NZ 2.97Å
243	A	90.4	Very high	95.7	Very high	93 Å²	93	42.1 Å²	42.1	77%	0.769	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-62	-36.7	-175.4	0	0	0	0	0	112.2	D245	A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 2.67Å
244	N	91.2	Very high	95.6	Very high	94 Å²	94	42.8 Å²	42.8	50%	0.503	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-94.7	16.9	-176.7	-60.3	-31.4	0	0	0	113.3	G217 T239 L240 G242	G217-N244 WeakPolarHBondContact CA-O 3.34Å; T239-N244 VanDerWaalsContact CG2-O 3.26Å; T239-N244 WeakPolarHBondContact CG2-O 3.4Å; T239-N244 PolarHBondContact OG1-O 2.78Å; L240-N244 HydrophobicContact CB-CB 4.11Å; L240-N244 CarbonylContact O-C 3.6Å; G242-N244 VanDerWaalsContact C-N 3.26Å; G242-N244 PolarHBondContact O-N 2.75Å
245	D	95.6	Very high	95.4	Very high	28 Å²	28	43.7 Å²	43.7	15%	0.15	24%	0.242	C	C	.	.	S	Bend	trans	-78.2	156.4	-179.5	-153.3	-12.7	0	0	0	112.2	L240 G242 A243 K247 Y263	L240-D245 PolarHBondContact O-N 2.92Å; G242-D245 WeakPolarHBondContact O-CB 3.33Å; G242-D245 PolarHBondContact O-N 3.05Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 2.67Å; D245-K247 VanDerWaalsContact O-CE 3.26Å; D245-K247 WeakPolarHBondContact O-CE 3.48Å; D245-K247 PolarHBondContact O-NZ 3.24Å; D245-Y263 VanDerWaalsContact OD1-CE1 3.32Å; D245-Y263 WeakPolarHBondContact OD1-CE1 3.42Å; D245-Y263 PolarHBondContact OD1-OH 2.93Å; D245-Y263 PolarHBondContact OD2-OH 2.89Å
246	F	96.4	Very high	95.3	Very high	11 Å²	11	45 Å²	45	5%	0.048	25%	0.251	C	S	.	.			trans	-56	141.2	171	-66.4	-77.8	0	0	0	111	A216 G237 T239 L248 F259 T261	A216-F246 HydrophobicContact CB-CE1 4.31Å; G237-F246 VanDerWaalsContact C-CE2 3.43Å; G237-F246 VanDerWaalsContact CA-CE2 3.48Å; T239-F246 HydrophobicContact CG2-CD2 3.41Å; T239-F246 VanDerWaalsContact CG2-CD2 3.41Å; T239-F246 HydrophobicContact CG2-CE2 3.32Å; T239-F246 HydrophobicContact CG2-CG 4.17Å; T239-F246 HydrophobicContact CG2-CZ 4.01Å; F246-L248 HydrophobicContact CB-CD2 3.89Å; F246-L248 HydrophobicContact CB-CG 4.2Å; F246-F259 AromaticContact CD1-CE1 3.88Å; F246-F259 HydrophobicContact CD1-CE1 3.88Å; F246-F259 HydrophobicContact CD1-CZ 4.15Å; F246-F259 HydrophobicContact CD2-CE1 4.33Å; F246-F259 AromaticContact CE1-CE1 3.93Å; F246-F259 HydrophobicContact CE1-CE1 3.93Å; F246-F259 AromaticContact CE1-CZ 3.73Å; F246-F259 HydrophobicContact CE1-CZ 3.73Å; F246-F259 HydrophobicContact CE2-CE1 4.36Å; F246-F259 HydrophobicContact CE2-CZ 4.46Å; F246-F259 HydrophobicContact CG-CE1 4.1Å; F246-F259 HydrophobicContact CZ-CE1 4.18Å; F246-F259 AromaticContact CZ-CZ 3.91Å; F246-F259 HydrophobicContact CZ-CZ 3.91Å; F246-T261 HydrophobicContact CB-CG2 4.14Å; F246-T261 HydrophobicContact CD2-CG2 3.55Å; F246-T261 HydrophobicContact CE2-CG2 4.23Å; F246-T261 HydrophobicContact CG-CG2 4.02Å
247	K	96.5	Very high	95.1	Very high	52 Å²	52	46.2 Å²	46.2	23%	0.226	26%	0.256	C	S	.	.			trans	-113.4	63.3	177.5	-52.4	-58.3	172.9	-155.1	0	109.7	P218 G242 D245 E249 K250	P218-K247 HydrophobicContact CB-CB 4.01Å; P218-K247 HydrophobicContact CB-CG 3.54Å; P218-K247 PolarHBondContact O-N 3.12Å; G242-K247 PolarHBondContact O-NZ 2.97Å; D245-K247 VanDerWaalsContact O-CE 3.26Å; D245-K247 WeakPolarHBondContact O-CE 3.48Å; D245-K247 PolarHBondContact O-NZ 3.24Å; K247-E249 WeakPolarHBondContact CA-OE2 3.31Å; K247-E249 PolarHBondContact O-N 2.82Å; K247-K250 HydrophobicContact CB-CB 4.35Å; K247-K250 HydrophobicContact CB-CD 3.95Å; K247-K250 HydrophobicContact CB-CG 4.16Å; K247-K250 WeakPolarHBondContact O-CA 3.19Å; K247-K250 WeakPolarHBondContact O-CB 3.36Å; K247-K250 PolarHBondContact O-N 2.85Å
248	L	94.7	Very high	95.1	Very high	40 Å²	40	46.3 Å²	46.3	21%	0.209	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58.5	-32.1	-173.4	-56.2	-174.7	0	0	0	112.7	F246 K250 F251 P256 F259 T261	F246-L248 HydrophobicContact CB-CD2 3.89Å; F246-L248 HydrophobicContact CB-CG 4.2Å; L248-K250 PolarHBondContact O-N 2.87Å; L248-K250 VanDerWaalsContact O-N 3.1Å; L248-F251 HydrophobicContact CD2-CD2 4.5Å; L248-F251 HydrophobicContact CD2-CE1 4.09Å; L248-F251 HydrophobicContact CD2-CE2 3.91Å; L248-F251 HydrophobicContact CD2-CZ 3.68Å; L248-F251 WeakPolarHBondContact O-CB 3.28Å; L248-F251 PolarHBondContact O-N 3Å; L248-P256 HydrophobicContact CB-CB 3.97Å; L248-P256 HydrophobicContact CB-CG 4.2Å; L248-P256 HydrophobicContact CD1-CB 4.47Å; L248-P256 HydrophobicContact CD2-CB 4.24Å; L248-P256 HydrophobicContact CG-CB 4.45Å; L248-F259 HydrophobicContact CD1-CD1 4.48Å; L248-F259 HydrophobicContact CD2-CD1 3.66Å; L248-F259 HydrophobicContact CD2-CE1 4Å; L248-T261 HydrophobicContact CD1-CG2 4.04Å
249	E	93	Very high	95.1	Very high	129 Å²	129	46.2 Å²	46.2	60%	0.603	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-63.9	-13.9	174.9	76.7	-70.1	169.8	0	0	113.4	K247 F252	K247-E249 WeakPolarHBondContact CA-OE2 3.31Å; K247-E249 PolarHBondContact O-N 2.82Å; E249-F252 WeakPolarHBondContact O-CE1 3.47Å
250	K	94.5	Very high	95	Very high	94 Å²	94	46 Å²	46	41%	0.409	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-103.5	7.7	176.1	-53.2	-177.4	-175.9	172.3	0	112.6	L173 K247 L248 F252 R483	L173-K250 HydrophobicContact CD1-CB 3.48Å; L173-K250 VanDerWaalsContact CD1-CB 3.48Å; L173-K250 HydrophobicContact CD1-CD 3.99Å; L173-K250 HydrophobicContact CD1-CG 4.39Å; K247-K250 HydrophobicContact CB-CB 4.35Å; K247-K250 HydrophobicContact CB-CD 3.95Å; K247-K250 HydrophobicContact CB-CG 4.16Å; K247-K250 WeakPolarHBondContact O-CA 3.19Å; K247-K250 WeakPolarHBondContact O-CB 3.36Å; K247-K250 PolarHBondContact O-N 2.85Å; L248-K250 PolarHBondContact O-N 2.87Å; L248-K250 VanDerWaalsContact O-N 3.1Å; K250-F252 PolarHBondContact O-N 2.68Å; K250-F252 VanDerWaalsContact O-N 3.12Å; K250-R483 PolarHBondContact O-NH2 2.99Å
251	F	95.1	Very high	94.9	Very high	10 Å²	10	43.1 Å²	43.1	4%	0.044	24%	0.241	C	C	.	.			trans	-75.8	103.1	171.5	-74	24.2	0	0	0	107.6	L173 G219 E223 L226 L248 A254 P256	L173-F251 HydrophobicContact CD2-CD1 4.27Å; L173-F251 HydrophobicContact CD2-CE1 4.09Å; G219-F251 VanDerWaalsContact O-CZ 3.28Å; G219-F251 WeakPolarHBondContact O-CZ 3.47Å; E223-F251 HydrophobicContact CB-CD1 4.43Å; E223-F251 HydrophobicContact CB-CD2 4.11Å; E223-F251 HydrophobicContact CB-CE2 4.21Å; E223-F251 HydrophobicContact CB-CG 4.24Å; E223-F251 HydrophobicContact CB-CZ 4.42Å; E223-F251 HydrophobicContact CG-CB 4.28Å; E223-F251 HydrophobicContact CG-CD2 4.28Å; E223-F251 HydrophobicContact CG-CG 4.15Å; E223-F251 WeakPolarHBondContact OE1-CA 3.49Å; L226-F251 HydrophobicContact CD1-CD2 4.15Å; L226-F251 HydrophobicContact CD1-CE2 4.02Å; L248-F251 HydrophobicContact CD2-CD2 4.5Å; L248-F251 HydrophobicContact CD2-CE1 4.09Å; L248-F251 HydrophobicContact CD2-CE2 3.91Å; L248-F251 HydrophobicContact CD2-CZ 3.68Å; L248-F251 WeakPolarHBondContact O-CB 3.28Å; L248-F251 PolarHBondContact O-N 3Å; F251-A254 CarbonylContact C-O 3.5Å; F251-A254 WeakPolarHBondContact CB-O 3.31Å; F251-A254 VanDerWaalsContact O-O 3.06Å; F251-P256 HydrophobicContact CD2-CB 3.9Å; F251-P256 HydrophobicContact CE2-CB 4.47Å; F251-P256 HydrophobicContact CG-CB 4.42Å
252	F	94.6	Very high	95.1	Very high	62 Å²	62	39.2 Å²	39.2	27%	0.272	23%	0.227	S	C	.	.			trans	-107.8	-30.3	-173.9	-71.5	-4.7	0	0	0	111.8	E223 E249 K250 A254 R483 A485	E223-F252 PolarHBondContact OE1-N 2.7Å; E249-F252 WeakPolarHBondContact O-CE1 3.47Å; K250-F252 PolarHBondContact O-N 2.68Å; K250-F252 VanDerWaalsContact O-N 3.12Å; F252-A254 VanDerWaalsContact C-N 3.32Å; F252-R483 HydrophobicContact CD2-CG 4.33Å; F252-A485 HydrophobicContact CD2-CB 3.97Å; F252-A485 HydrophobicContact CE1-CB 4.4Å; F252-A485 HydrophobicContact CE2-CB 3.78Å; F252-A485 HydrophobicContact CG-CB 4.38Å; F252-A485 HydrophobicContact CZ-CB 4.02Å
253	A	95.5	Very high	95.2	Very high	26 Å²	26	37.7 Å²	37.7	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-78.2	-22.3	173.6	0	0	0	0	0	112	I171 F172 E223 Y227	I171-A253 HydrophobicContact CD1-CB 3.99Å; I171-A253 HydrophobicContact CG1-CB 4.14Å; F172-A253 HydrophobicContact CD1-CB 3.65Å; F172-A253 HydrophobicContact CE1-CB 3.85Å; E223-A253 HydrophobicContact CG-CB 4.25Å; E223-A253 PolarHBondContact OE1-N 2.77Å; Y227-A253 HydrophobicContact CD2-CB 4.28Å; Y227-A253 WeakPolarHBondContact CD2-O 3.38Å
254	A	95.1	Very high	95.6	Very high	14 Å²	14	33.2 Å²	33.2	12%	0.116	17%	0.169	C	C	.	.	S	Bend	trans	-141	165.7	-177.4	0	0	0	0	0	111.7	E223 L226 F251 F252	E223-A254 HydrophobicContact CG-CB 4.03Å; E223-A254 WeakPolarHBondContact O-CB 3.41Å; L226-A254 VanDerWaalsContact C-CB 3.5Å; L226-A254 HydrophobicContact CB-CB 3.58Å; F251-A254 CarbonylContact C-O 3.5Å; F251-A254 WeakPolarHBondContact CB-O 3.31Å; F251-A254 VanDerWaalsContact O-O 3.06Å; F252-A254 VanDerWaalsContact C-N 3.32Å
255	S	94.6	Very high	95.8	Very high	20 Å²	20	32.4 Å²	32.4	14%	0.14	17%	0.167	C	C	.	.			trans	-101.1	131.7	177.2	-139	0	0	0	0	110	E257 Q577 P578	S255-E257 WeakPolarHBondContact CB-OE2 3.28Å; S255-E257 PolarHBondContact OG-OE1 2.9Å; S255-E257 PolarHBondContact OG-OE2 2.84Å; S255-Q577 VanDerWaalsContact CB-NE2 3.3Å; S255-P578 VanDerWaalsContact OG-CD 3.31Å; S255-P578 WeakPolarHBondContact OG-CD 3Å
256	P	96.2	Very high	95.9	Very high	27 Å²	27	36.7 Å²	36.7	18%	0.175	18%	0.184	C	C	.	.			trans	-87.6	1.7	-172.5	35.4	-37.1	0	0	0	114.7	L248 F251 S258 F259	L248-P256 HydrophobicContact CB-CB 3.97Å; L248-P256 HydrophobicContact CB-CG 4.2Å; L248-P256 HydrophobicContact CD1-CB 4.47Å; L248-P256 HydrophobicContact CD2-CB 4.24Å; L248-P256 HydrophobicContact CG-CB 4.45Å; F251-P256 HydrophobicContact CD2-CB 3.9Å; F251-P256 HydrophobicContact CE2-CB 4.47Å; F251-P256 HydrophobicContact CG-CB 4.42Å; P256-S258 VanDerWaalsContact C-N 3.29Å; P256-S258 PolarHBondContact O-N 2.85Å; P256-F259 WeakPolarHBondContact O-CA 3.43Å; P256-F259 VanDerWaalsContact O-CB 3.26Å; P256-F259 WeakPolarHBondContact O-CB 3.28Å; P256-F259 PolarHBondContact O-N 2.85Å
257	E	96.1	Very high	95.9	Very high	26 Å²	26	39.7 Å²	39.7	12%	0.121	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.1	-170.3	-66.8	78.3	-177.4	0	0	113.4	S255 F259 L635 K637	S255-E257 WeakPolarHBondContact CB-OE2 3.28Å; S255-E257 PolarHBondContact OG-OE1 2.9Å; S255-E257 PolarHBondContact OG-OE2 2.84Å; E257-F259 PolarHBondContact O-N 2.87Å; E257-L635 HydrophobicContact CB-CD2 3.78Å; E257-K637 WeakPolarHBondContact O-CE 3.5Å
258	S	97	Very high	95.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6.8	173	66.9	0	0	0	0	113.9	L226 A233 K234 G235 P256	L226-S258 WeakPolarHBondContact CD2-OG 3.37Å; A233-S258 WeakPolarHBondContact O-CB 3.5Å; A233-S258 PolarHBondContact O-OG 2.96Å; K234-S258 WeakPolarHBondContact CA-O 3.26Å; G235-S258 PolarHBondContact N-O 2.82Å; P256-S258 VanDerWaalsContact C-N 3.29Å; P256-S258 PolarHBondContact O-N 2.85Å
259	F	97.8	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.2	175.6	-169	-106.3	0	0	0	110.8	F211 D213 S222 L226 G235 F246 L248 P256 E257 T261 K637	F211-F259 HydrophobicContact CE2-CD2 4.24Å; F211-F259 AromaticContact CE2-CE2 3.96Å; F211-F259 HydrophobicContact CE2-CE2 3.96Å; F211-F259 AromaticContact CZ-CD2 3.95Å; F211-F259 HydrophobicContact CZ-CD2 3.95Å; F211-F259 HydrophobicContact CZ-CE2 4.15Å; D213-F259 HydrophobicContact CB-CE2 4.45Å; D213-F259 HydrophobicContact CB-CZ 4.49Å; S222-F259 WeakPolarHBondContact OG-CE2 3.23Å; S222-F259 WeakPolarHBondContact OG-CZ 3.44Å; L226-F259 HydrophobicContact CD1-CB 3.92Å; L226-F259 HydrophobicContact CD1-CD2 4.49Å; L226-F259 HydrophobicContact CD1-CG 4.42Å; G235-F259 WeakPolarHBondContact O-CA 3.5Å; F246-F259 AromaticContact CD1-CE1 3.88Å; F246-F259 HydrophobicContact CD1-CE1 3.88Å; F246-F259 HydrophobicContact CD1-CZ 4.15Å; F246-F259 HydrophobicContact CD2-CE1 4.33Å; F246-F259 AromaticContact CE1-CE1 3.93Å; F246-F259 HydrophobicContact CE1-CE1 3.93Å; F246-F259 AromaticContact CE1-CZ 3.73Å; F246-F259 HydrophobicContact CE1-CZ 3.73Å; F246-F259 HydrophobicContact CE2-CE1 4.36Å; F246-F259 HydrophobicContact CE2-CZ 4.46Å; F246-F259 HydrophobicContact CG-CE1 4.1Å; F246-F259 HydrophobicContact CZ-CE1 4.18Å; F246-F259 AromaticContact CZ-CZ 3.91Å; F246-F259 HydrophobicContact CZ-CZ 3.91Å; L248-F259 HydrophobicContact CD1-CD1 4.48Å; L248-F259 HydrophobicContact CD2-CD1 3.66Å; L248-F259 HydrophobicContact CD2-CE1 4Å; P256-F259 WeakPolarHBondContact O-CA 3.43Å; P256-F259 VanDerWaalsContact O-CB 3.26Å; P256-F259 WeakPolarHBondContact O-CB 3.28Å; P256-F259 PolarHBondContact O-N 2.85Å; E257-F259 PolarHBondContact O-N 2.87Å; F259-T261 HydrophobicContact CD1-CG2 4.14Å; F259-T261 HydrophobicContact CE1-CG2 3.86Å; F259-K637 WeakPolarHBondContact O-CE 3.34Å; F259-K637 PolarHBondContact O-NZ 3.26Å; F259-K637 VanDerWaalsContact O-NZ 3.1Å
260	D	96.4	Very high	96.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.2	-176.3	-160	-19.9	0	0	0	111.4	G235 F236 G237 Y283 K637 R640	G235-D260 PolarHBondContact O-N 2.99Å; F236-D260 CarbonylContact C-O 3.44Å; F236-D260 VanDerWaalsContact CA-O 3.28Å; F236-D260 WeakPolarHBondContact CA-O 3.45Å; F236-D260 HydrophobicContact CD1-CB 4.16Å; G237-D260 PolarHBondContact N-O 3.18Å; D260-Y283 PolarHBondContact OD2-OH 3.35Å; D260-K637 HydrophobicContact CB-CD 4.27Å; D260-K637 WeakPolarHBondContact OD2-CB 3.44Å; D260-K637 WeakPolarHBondContact OD2-CD 3.4Å; D260-K637 WeakPolarHBondContact OD2-CG 3.48Å; D260-R640 IonicContact OD1-CZ 2.79Å; D260-R640 IonicContact OD1-NE 3.89Å; D260-R640 PolarHBondContact OD1-NE 3.42Å; D260-R640 IonicContact OD1-NH2 3.73Å; D260-R640 PolarHBondContact OD1-NH2 2.94Å; D260-R640 IonicContact OD2-NE 3.16Å
261	T	96.1	Very high	96.4	Very high	19 Å²	19	30 Å²	30	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.5	174.5	56	0	0	0	0	111.2	G237 F246 L248 F259 R640	G237-T261 WeakPolarHBondContact O-CA 3.45Å; F246-T261 HydrophobicContact CB-CG2 4.14Å; F246-T261 HydrophobicContact CD2-CG2 3.55Å; F246-T261 HydrophobicContact CE2-CG2 4.23Å; F246-T261 HydrophobicContact CG-CG2 4.02Å; L248-T261 HydrophobicContact CD1-CG2 4.04Å; F259-T261 HydrophobicContact CD1-CG2 4.14Å; F259-T261 HydrophobicContact CE1-CG2 3.86Å; T261-R640 PolarHBondContact O-NH2 2.84Å; T261-R640 PolarHBondContact OG1-NH2 2.9Å
262	F	96.6	Very high	96.5	Very high	27 Å²	27	32.8 Å²	32.8	12%	0.118	17%	0.17	C	C	.	.			trans	-127.2	139.3	175.9	-174.9	-99.9	0	0	0	109.9	G237 F238 G264 L280 Y283	G237-F262 PolarHBondContact O-N 3.46Å; F238-F262 HydrophobicContact CD2-CD1 4.22Å; F238-F262 WeakPolarHBondContact CD2-O 3.46Å; F238-F262 HydrophobicContact CE2-CD1 4.45Å; F262-G264 VanDerWaalsContact CE1-CA 3.44Å; F262-G264 VanDerWaalsContact CE1-N 3.35Å; F262-L280 HydrophobicContact CB-CD1 4.31Å; F262-L280 HydrophobicContact CD1-CB 4Å; F262-L280 HydrophobicContact CD1-CD1 3.74Å; F262-L280 HydrophobicContact CD1-CG 4.49Å; F262-L280 HydrophobicContact CE1-CB 4.06Å; F262-L280 HydrophobicContact CG-CD1 4.38Å; F262-Y283 HydrophobicContact CB-CD1 4.34Å; F262-Y283 HydrophobicContact CD2-CD1 4.02Å; F262-Y283 AromaticContact CD2-CD2 3.78Å; F262-Y283 HydrophobicContact CD2-CD2 3.78Å; F262-Y283 HydrophobicContact CD2-CE1 4.31Å; F262-Y283 HydrophobicContact CD2-CE2 4.09Å; F262-Y283 AromaticContact CD2-CG 3.74Å; F262-Y283 HydrophobicContact CD2-CG 3.74Å; F262-Y283 AromaticContact CE2-CD2 3.68Å; F262-Y283 HydrophobicContact CE2-CD2 3.68Å; F262-Y283 HydrophobicContact CE2-CE2 4.27Å; F262-Y283 AromaticContact CE2-CG 3.85Å; F262-Y283 HydrophobicContact CE2-CG 3.85Å; F262-Y283 HydrophobicContact CG-CD1 4.17Å; F262-Y283 HydrophobicContact CG-CG 4.18Å; F262-Y283 HydrophobicContact CZ-CD2 4.47Å; F262-Y283 HydrophobicContact CZ-CG 4.37Å
263	Y	96.9	Very high	96.7	Very high	18 Å²	18	31.2 Å²	31.2	7%	0.071	17%	0.165	C	C	.	.			trans	-122.4	17.8	-169	-59.2	-85.7	0	0	0	113.3	T239 R241 D245 E267 D268 G269	T239-Y263 HydrophobicContact CG2-CE1 4.5Å; T239-Y263 VanDerWaalsContact O-CD1 3.3Å; T239-Y263 WeakPolarHBondContact O-CD1 3.37Å; R241-Y263 HydrophobicContact CG-CD1 3.49Å; R241-Y263 VanDerWaalsContact CG-CD1 3.49Å; R241-Y263 HydrophobicContact CG-CE1 3.81Å; R241-Y263 HydrophobicContact CG-CG 4.03Å; D245-Y263 VanDerWaalsContact OD1-CE1 3.32Å; D245-Y263 WeakPolarHBondContact OD1-CE1 3.42Å; D245-Y263 PolarHBondContact OD1-OH 2.93Å; D245-Y263 PolarHBondContact OD2-OH 2.89Å; Y263-E267 CarbonylContact O-C 3.53Å; Y263-E267 WeakPolarHBondContact O-CA 3.45Å; Y263-E267 PolarHBondContact O-N 3.12Å; Y263-D268 PolarHBondContact O-N 2.82Å; Y263-G269 WeakPolarHBondContact O-CA 3.34Å; Y263-G269 PolarHBondContact O-N 3.07Å
264	G	97.1	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	169.3	-179.4	0	0	0	0	0	112.9	F262 K266 E267 N276	F262-G264 VanDerWaalsContact CE1-CA 3.44Å; F262-G264 VanDerWaalsContact CE1-N 3.35Å; G264-K266 PolarHBondContact O-N 2.85Å; G264-E267 PolarHBondContact O-N 2.52Å; G264-N276 WeakPolarHBondContact CA-OD1 3.37Å
265	V	96.9	Very high	96.9	Very high	77 Å²	77	34.4 Å²	34.4	47%	0.467	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28	178.7	69.2	0	0	0	0	112.8	E267 S275 N276 S279	V265-E267 VanDerWaalsContact C-N 3.32Å; V265-S275 WeakPolarHBondContact CG1-OG 3.32Å; V265-N276 PolarHBondContact N-OD1 3.45Å; V265-N276 VanDerWaalsContact N-OD1 3.16Å; V265-S279 PolarHBondContact N-OG 3.09Å
266	K	97.1	Very high	97.1	Very high	117 Å²	117	33.4 Å²	33.4	51%	0.509	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.9	175.8	-60.1	-169.5	176.2	-172	0	113.7	G264 D268 D273 S275 N276	G264-K266 PolarHBondContact O-N 2.85Å; K266-D268 PolarHBondContact O-N 2.95Å; K266-D273 VanDerWaalsContact CD-OD2 3.31Å; K266-D273 WeakPolarHBondContact CD-OD2 3.41Å; K266-D273 WeakPolarHBondContact CE-OD2 3.28Å; K266-D273 IonicContact NZ-OD1 2.64Å; K266-D273 IonicContact NZ-OD2 3.31Å; K266-D273 PolarHBondContact NZ-OD2 3.49Å; K266-S275 WeakPolarHBondContact CE-OG 3.11Å; K266-N276 WeakPolarHBondContact CB-OD1 3.47Å; K266-N276 PolarHBondContact N-OD1 3.21Å
267	E	95.9	Very high	97.2	Very high	74 Å²	74	32.1 Å²	32.1	35%	0.346	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	27.5	177.6	-60.2	-70.1	159.3	0	0	114.1	R241 Y263 G264 V265 K641	R241-E267 WeakPolarHBondContact CD-O 3.48Å; R241-E267 PolarHBondContact NE-O 3.49Å; R241-E267 IonicContact NH2-OE2 2.94Å; R241-E267 PolarHBondContact NH2-OE2 3.47Å; Y263-E267 CarbonylContact O-C 3.53Å; Y263-E267 WeakPolarHBondContact O-CA 3.45Å; Y263-E267 PolarHBondContact O-N 3.12Å; G264-E267 PolarHBondContact O-N 2.52Å; V265-E267 VanDerWaalsContact C-N 3.32Å; E267-K641 IonicContact OE1-NZ 2.83Å; E267-K641 PolarHBondContact OE1-NZ 2.82Å
268	D	97.1	Very high	97.4	Very high	57 Å²	57	33.4 Å²	33.4	31%	0.305	17%	0.17	S	C	.	.	S	Bend	trans	-112	-18.3	178.6	61.6	4	0	0	0	113.1	L240 R241 Y263 K266 N270 N276	L240-D268 WeakPolarHBondContact CA-O 3.49Å; R241-D268 PolarHBondContact N-O 3.37Å; Y263-D268 PolarHBondContact O-N 2.82Å; K266-D268 PolarHBondContact O-N 2.95Å; D268-N270 VanDerWaalsContact C-N 3.28Å; D268-N270 WeakPolarHBondContact OD1-CB 3.15Å; D268-N270 PolarHBondContact OD1-N 3.19Å; D268-N276 PolarHBondContact OD1-ND2 3.06Å
269	G	97.2	Very high	97.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.175	C	C	.	.			trans	71.4	19.4	-174.7	0	0	0	0	0	113.9	F238 T239 Y263 I271	F238-G269 VanDerWaalsContact CE1-O 3.25Å; F238-G269 WeakPolarHBondContact CE1-O 3.26Å; T239-G269 WeakPolarHBondContact O-CA 3.44Å; Y263-G269 WeakPolarHBondContact O-CA 3.34Å; Y263-G269 PolarHBondContact O-N 3.07Å; G269-I271 PolarHBondContact O-N 3.26Å
270	N	97.6	Very high	97.5	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.262	18%	0.175	S	C	.	.			trans	-72.7	111.5	177.7	-177	6.4	0	0	0	110.3	L240 D268 F272 D273 N276	L240-N270 HydrophobicContact CD2-CB 4.16Å; D268-N270 VanDerWaalsContact C-N 3.28Å; D268-N270 WeakPolarHBondContact OD1-CB 3.15Å; D268-N270 PolarHBondContact OD1-N 3.19Å; N270-F272 VanDerWaalsContact C-N 3.28Å; N270-F272 PolarHBondContact O-N 3.16Å; N270-F272 WeakPolarHBondContact OD1-CB 3.35Å; N270-F272 PolarHBondContact OD1-N 3.33Å; N270-D273 PolarHBondContact O-N 3.21Å; N270-N276 WeakPolarHBondContact O-CB 3.46Å; N270-N276 PolarHBondContact O-ND2 2.99Å
271	I	97.9	Very high	97.6	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16	-179.7	-158.7	167.6	0	0	0	113	M214 C215 F238 G269 D273 Q277 L317 C320 Q321	M214-I271 HydrophobicContact CB-CD1 4.25Å; C215-I271 VanDerWaalsContact SG-CD1 3.6Å; F238-I271 HydrophobicContact CD1-CB 4.45Å; F238-I271 HydrophobicContact CD1-CG1 4.49Å; F238-I271 HydrophobicContact CE1-CB 3.88Å; F238-I271 HydrophobicContact CE1-CG1 4.17Å; G269-I271 PolarHBondContact O-N 3.26Å; I271-D273 PolarHBondContact O-N 2.9Å; I271-Q277 PolarHBondContact O-NE2 3.38Å; I271-L317 HydrophobicContact CG2-CD1 4.05Å; I271-C320 HydrophobicContact CG1-CB 4.21Å; I271-C320 HydrophobicContact CG2-CB 4.04Å; I271-Q321 HydrophobicContact CD1-CG 4.12Å
272	F	97.4	Very high	97.7	Very high	67 Å²	67	40.7 Å²	40.7	29%	0.294	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17	176.3	-58	-14.5	0	0	0	112	N270 Q316 L317 C320 N400	N270-F272 VanDerWaalsContact C-N 3.28Å; N270-F272 PolarHBondContact O-N 3.16Å; N270-F272 WeakPolarHBondContact OD1-CB 3.35Å; N270-F272 PolarHBondContact OD1-N 3.33Å; F272-Q316 HydrophobicContact CD1-CG 4.19Å; F272-Q316 HydrophobicContact CE1-CG 4.27Å; F272-Q316 HydrophobicContact CG-CG 4.4Å; F272-L317 HydrophobicContact CE1-CB 4.05Å; F272-L317 HydrophobicContact CE1-CD1 3.95Å; F272-L317 HydrophobicContact CZ-CB 4.23Å; F272-L317 HydrophobicContact CZ-CD1 4.48Å; F272-C320 HydrophobicContact CD1-CB 3.98Å; F272-C320 HydrophobicContact CE1-CB 4.46Å; F272-N400 PolarHBondContact O-ND2 3.41Å
273	D	98	Very high	97.7	Very high	30 Å²	30	39.8 Å²	39.8	16%	0.16	20%	0.201	C	C	.	.			trans	-84.9	117.2	179.7	-161.9	-68.5	0	0	0	111.8	K266 N270 I271 S275 N276 Q277	K266-D273 VanDerWaalsContact CD-OD2 3.31Å; K266-D273 WeakPolarHBondContact CD-OD2 3.41Å; K266-D273 WeakPolarHBondContact CE-OD2 3.28Å; K266-D273 IonicContact NZ-OD1 2.64Å; K266-D273 IonicContact NZ-OD2 3.31Å; K266-D273 PolarHBondContact NZ-OD2 3.49Å; N270-D273 PolarHBondContact O-N 3.21Å; I271-D273 PolarHBondContact O-N 2.9Å; D273-S275 VanDerWaalsContact C-N 3.28Å; D273-S275 PolarHBondContact O-N 3.35Å; D273-S275 WeakPolarHBondContact OD1-CB 3.49Å; D273-S275 PolarHBondContact OD1-N 3.47Å; D273-S275 PolarHBondContact OD1-OG 2.92Å; D273-N276 HydrophobicContact CB-CB 4.09Å; D273-N276 WeakPolarHBondContact O-CB 3.45Å; D273-N276 PolarHBondContact O-N 3.01Å; D273-N276 VanDerWaalsContact O-N 3.11Å; D273-N276 PolarHBondContact OD1-N 2.87Å; D273-Q277 WeakPolarHBondContact O-CG 3Å; D273-Q277 PolarHBondContact O-N 2.64Å; D273-Q277 VanDerWaalsContact O-N 3.1Å
274	E	97.7	Very high	97.8	Very high	62 Å²	62	39 Å²	39	29%	0.29	20%	0.198	S	C	.	.	H	α-helix	trans	-54.3	-43	177.7	174.9	-178.6	-155.1	0	0	112.2	N276 Q277 D278 N397	E274-N276 PolarHBondContact O-N 3.17Å; E274-Q277 WeakPolarHBondContact O-CB 3.5Å; E274-Q277 PolarHBondContact O-N 2.92Å; E274-D278 PolarHBondContact O-N 2.92Å; E274-N397 WeakPolarHBondContact CG-OD1 3.37Å; E274-N397 VanDerWaalsContact OE1-CG 3.32Å; E274-N397 PolarHBondContact OE1-ND2 3.29Å; E274-N397 PolarHBondContact OE1-OD1 3.18Å
275	S	98.4	Very high	97.9	Very high	44 Å²	44	42.4 Å²	42.4	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-29.5	-177.8	73	0	0	0	0	112.3	V265 K266 D273 S279	V265-S275 WeakPolarHBondContact CG1-OG 3.32Å; K266-S275 WeakPolarHBondContact CE-OG 3.11Å; D273-S275 VanDerWaalsContact C-N 3.28Å; D273-S275 PolarHBondContact O-N 3.35Å; D273-S275 WeakPolarHBondContact OD1-CB 3.49Å; D273-S275 PolarHBondContact OD1-N 3.47Å; D273-S275 PolarHBondContact OD1-OG 2.92Å; S275-S279 VanDerWaalsContact O-CB 3.3Å; S275-S279 WeakPolarHBondContact O-CB 3.41Å; S275-S279 PolarHBondContact O-N 3.42Å; S275-S279 VanDerWaalsContact O-N 3.08Å; S275-S279 PolarHBondContact O-OG 2.85Å
276	N	98.5	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.1	-40.3	171.8	-75	-21.1	0	0	0	112.3	F238 G264 V265 K266 D268 N270 D273 E274 S279 L280	F238-N276 HydrophobicContact CE2-CB 4.35Å; F238-N276 HydrophobicContact CZ-CB 3.88Å; G264-N276 WeakPolarHBondContact CA-OD1 3.37Å; V265-N276 PolarHBondContact N-OD1 3.45Å; V265-N276 VanDerWaalsContact N-OD1 3.16Å; K266-N276 WeakPolarHBondContact CB-OD1 3.47Å; K266-N276 PolarHBondContact N-OD1 3.21Å; D268-N276 PolarHBondContact OD1-ND2 3.06Å; N270-N276 WeakPolarHBondContact O-CB 3.46Å; N270-N276 PolarHBondContact O-ND2 2.99Å; D273-N276 HydrophobicContact CB-CB 4.09Å; D273-N276 WeakPolarHBondContact O-CB 3.45Å; D273-N276 PolarHBondContact O-N 3.01Å; D273-N276 VanDerWaalsContact O-N 3.11Å; D273-N276 PolarHBondContact OD1-N 2.87Å; E274-N276 PolarHBondContact O-N 3.17Å; N276-S279 WeakPolarHBondContact CA-OG 3.09Å; N276-S279 PolarHBondContact O-OG 3.17Å; N276-S279 VanDerWaalsContact O-OG 3.1Å; N276-L280 WeakPolarHBondContact O-CB 3.42Å; N276-L280 PolarHBondContact O-N 2.95Å
277	Q	98.6	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-45.4	175.4	-60.3	170.2	8.4	0	0	111.2	I271 D273 E274 L280 N281 L323 T324 K327	I271-Q277 PolarHBondContact O-NE2 3.38Å; D273-Q277 WeakPolarHBondContact O-CG 3Å; D273-Q277 PolarHBondContact O-N 2.64Å; D273-Q277 VanDerWaalsContact O-N 3.1Å; E274-Q277 WeakPolarHBondContact O-CB 3.5Å; E274-Q277 PolarHBondContact O-N 2.92Å; Q277-L280 WeakPolarHBondContact O-CB 3.4Å; Q277-L280 PolarHBondContact O-N 2.87Å; Q277-N281 PolarHBondContact O-N 3.5Å; Q277-L323 VanDerWaalsContact OE1-CD2 3.27Å; Q277-T324 WeakPolarHBondContact CG-OG1 3.47Å; Q277-K327 HydrophobicContact CB-CD 4.23Å
278	D	98.6	Very high	97.9	Very high	53 Å²	53	35.5 Å²	35.5	28%	0.283	18%	0.177	S	C	.	.	H	α-helix	trans	-69.1	-44.1	-177.6	-69.4	-12.4	0	0	0	111.4	E274 L280 N281 E282 K327	E274-D278 PolarHBondContact O-N 2.92Å; D278-L280 VanDerWaalsContact C-N 3.28Å; D278-L280 PolarHBondContact O-N 2.78Å; D278-N281 WeakPolarHBondContact O-CB 3.33Å; D278-N281 PolarHBondContact O-N 2.9Å; D278-N281 VanDerWaalsContact O-N 3.1Å; D278-E282 WeakPolarHBondContact O-CG 3.18Å; D278-E282 PolarHBondContact O-N 3.43Å; D278-K327 WeakPolarHBondContact OD1-CE 3.25Å; D278-K327 IonicContact OD1-NZ 3.99Å; D278-K327 PolarHBondContact OD1-NZ 2.86Å
279	S	98.5	Very high	97.9	Very high	15 Å²	15	36.7 Å²	36.7	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-31.6	175	56.2	0	0	0	0	112.9	V265 S275 N276 Y283	V265-S279 PolarHBondContact N-OG 3.09Å; S275-S279 VanDerWaalsContact O-CB 3.3Å; S275-S279 WeakPolarHBondContact O-CB 3.41Å; S275-S279 PolarHBondContact O-N 3.42Å; S275-S279 VanDerWaalsContact O-N 3.08Å; S275-S279 PolarHBondContact O-OG 2.85Å; N276-S279 WeakPolarHBondContact CA-OG 3.09Å; N276-S279 PolarHBondContact O-OG 3.17Å; N276-S279 VanDerWaalsContact O-OG 3.1Å; S279-Y283 VanDerWaalsContact O-CB 3.27Å; S279-Y283 WeakPolarHBondContact O-CB 3.37Å; S279-Y283 PolarHBondContact O-N 3.35Å
280	L	98.6	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-44.8	170.7	173.1	66.1	0	0	0	110.9	F238 F262 N276 Q277 D278 Y283 I284 T324	F238-L280 HydrophobicContact CB-CD1 4.37Å; F238-L280 HydrophobicContact CB-CD2 3.86Å; F238-L280 HydrophobicContact CD2-CB 4.19Å; F238-L280 HydrophobicContact CD2-CD1 4.08Å; F238-L280 HydrophobicContact CD2-CD2 3.79Å; F238-L280 HydrophobicContact CD2-CG 4.23Å; F238-L280 HydrophobicContact CE2-CB 4.36Å; F238-L280 HydrophobicContact CE2-CD2 4.5Å; F238-L280 HydrophobicContact CG-CD2 3.8Å; F262-L280 HydrophobicContact CB-CD1 4.31Å; F262-L280 HydrophobicContact CD1-CB 4Å; F262-L280 HydrophobicContact CD1-CD1 3.74Å; F262-L280 HydrophobicContact CD1-CG 4.49Å; F262-L280 HydrophobicContact CE1-CB 4.06Å; F262-L280 HydrophobicContact CG-CD1 4.38Å; N276-L280 WeakPolarHBondContact O-CB 3.42Å; N276-L280 PolarHBondContact O-N 2.95Å; Q277-L280 WeakPolarHBondContact O-CB 3.4Å; Q277-L280 PolarHBondContact O-N 2.87Å; D278-L280 VanDerWaalsContact C-N 3.28Å; D278-L280 PolarHBondContact O-N 2.78Å; L280-Y283 PolarHBondContact O-N 2.88Å; L280-I284 HydrophobicContact CD1-CD1 3.87Å; L280-I284 HydrophobicContact CD1-CG1 4.23Å; L280-I284 HydrophobicContact CG-CD1 3.94Å; L280-I284 WeakPolarHBondContact O-CG1 3.29Å; L280-I284 PolarHBondContact O-N 3.42Å; L280-T324 HydrophobicContact CD2-CG2 3.85Å
281	N	98.6	Very high	97.9	Very high	28 Å²	28	39.8 Å²	39.8	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-48.4	176.4	177.7	43.8	0	0	0	111.8	Q277 D278 Y283 I284 R285 K327 I328	Q277-N281 PolarHBondContact O-N 3.5Å; D278-N281 WeakPolarHBondContact O-CB 3.33Å; D278-N281 PolarHBondContact O-N 2.9Å; D278-N281 VanDerWaalsContact O-N 3.1Å; N281-Y283 VanDerWaalsContact C-N 3.32Å; N281-Y283 PolarHBondContact O-N 3.39Å; N281-I284 PolarHBondContact O-N 3.2Å; N281-R285 PolarHBondContact ND2-NE 3.49Å; N281-R285 WeakPolarHBondContact O-CB 3.31Å; N281-R285 WeakPolarHBondContact O-CG 3.5Å; N281-R285 PolarHBondContact O-N 2.9Å; N281-R285 PolarHBondContact OD1-NE 3.16Å; N281-K327 HydrophobicContact CB-CB 4.44Å; N281-K327 PolarHBondContact OD1-O 3.43Å; N281-I328 HydrophobicContact CB-CG2 3.95Å
282	E	98.3	Very high	97.9	Very high	129 Å²	129	39.5 Å²	39.5	60%	0.603	20%	0.199	S	C	*	.	H	α-helix	trans	-56.6	-46.3	174.7	-70.2	173.5	-178	0	0	111.6	D278 I284 R285 M286	D278-E282 WeakPolarHBondContact O-CG 3.18Å; D278-E282 PolarHBondContact O-N 3.43Å; E282-I284 PolarHBondContact O-N 2.93Å; E282-R285 PolarHBondContact O-N 3.12Å; E282-M286 WeakPolarHBondContact O-CG 3.44Å; E282-M286 PolarHBondContact O-N 3.05Å
283	Y	98	Very high	98	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.035	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-43.1	179.3	-171	-95.5	0	0	0	113.2	F236 D260 F262 S279 L280 N281 M286 H287	F236-Y283 HydrophobicContact CD1-CD1 4.15Å; F236-Y283 AromaticContact CD1-CE1 3.96Å; F236-Y283 HydrophobicContact CD1-CE1 3.96Å; F236-Y283 HydrophobicContact CE1-CD1 4.31Å; F236-Y283 HydrophobicContact CE1-CE1 4Å; D260-Y283 PolarHBondContact OD2-OH 3.35Å; F262-Y283 HydrophobicContact CB-CD1 4.34Å; F262-Y283 HydrophobicContact CD2-CD1 4.02Å; F262-Y283 AromaticContact CD2-CD2 3.78Å; F262-Y283 HydrophobicContact CD2-CD2 3.78Å; F262-Y283 HydrophobicContact CD2-CE1 4.31Å; F262-Y283 HydrophobicContact CD2-CE2 4.09Å; F262-Y283 AromaticContact CD2-CG 3.74Å; F262-Y283 HydrophobicContact CD2-CG 3.74Å; F262-Y283 AromaticContact CE2-CD2 3.68Å; F262-Y283 HydrophobicContact CE2-CD2 3.68Å; F262-Y283 HydrophobicContact CE2-CE2 4.27Å; F262-Y283 AromaticContact CE2-CG 3.85Å; F262-Y283 HydrophobicContact CE2-CG 3.85Å; F262-Y283 HydrophobicContact CG-CD1 4.17Å; F262-Y283 HydrophobicContact CG-CG 4.18Å; F262-Y283 HydrophobicContact CZ-CD2 4.47Å; F262-Y283 HydrophobicContact CZ-CG 4.37Å; S279-Y283 VanDerWaalsContact O-CB 3.27Å; S279-Y283 WeakPolarHBondContact O-CB 3.37Å; S279-Y283 PolarHBondContact O-N 3.35Å; L280-Y283 PolarHBondContact O-N 2.88Å; N281-Y283 VanDerWaalsContact C-N 3.32Å; N281-Y283 PolarHBondContact O-N 3.39Å; Y283-M286 HydrophobicContact CD2-CE 3.73Å; Y283-M286 HydrophobicContact CE2-CE 4.43Å; Y283-M286 HydrophobicContact CG-CE 4.37Å; Y283-H287 AromaticContact CE1-CE1 3.5Å; Y283-H287 VanDerWaalsContact CE1-CE1 3.5Å; Y283-H287 WeakPolarHBondContact CE1-CE1 3.25Å; Y283-H287 AromaticContact CE1-ND1 3.99Å; Y283-H287 AromaticContact CZ-CE1 3.56Å; Y283-H287 PolarHBondContact O-ND1 2.7Å
284	I	98.5	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-46	174.8	-73	170	0	0	0	110.3	T212 F236 L280 N281 E282 M286 H287 T288 V292 I328	T212-I284 HydrophobicContact CG2-CD1 4.34Å; T212-I284 WeakPolarHBondContact OG1-CD1 3.34Å; F236-I284 HydrophobicContact CB-CD1 4.47Å; F236-I284 HydrophobicContact CB-CG1 4.31Å; F236-I284 HydrophobicContact CD1-CG1 4.43Å; F236-I284 HydrophobicContact CD2-CD1 4.4Å; F236-I284 HydrophobicContact CD2-CG1 3.84Å; F236-I284 HydrophobicContact CE2-CG1 4.26Å; F236-I284 HydrophobicContact CG-CG1 3.92Å; L280-I284 HydrophobicContact CD1-CD1 3.87Å; L280-I284 HydrophobicContact CD1-CG1 4.23Å; L280-I284 HydrophobicContact CG-CD1 3.94Å; L280-I284 WeakPolarHBondContact O-CG1 3.29Å; L280-I284 PolarHBondContact O-N 3.42Å; N281-I284 PolarHBondContact O-N 3.2Å; E282-I284 PolarHBondContact O-N 2.93Å; I284-M286 VanDerWaalsContact C-N 3.25Å; I284-M286 PolarHBondContact O-N 3.34Å; I284-H287 WeakPolarHBondContact O-CA 3.38Å; I284-H287 WeakPolarHBondContact O-CB 3.41Å; I284-H287 PolarHBondContact O-N 3.31Å; I284-T288 HydrophobicContact CG2-CG2 3.85Å; I284-T288 PolarHBondContact O-N 3.09Å; I284-V292 HydrophobicContact CD1-CG1 4.36Å; I284-V292 HydrophobicContact CG2-CG1 3.68Å; I284-I328 HydrophobicContact CD1-CB 3.86Å; I284-I328 HydrophobicContact CD1-CD1 4.03Å; I284-I328 HydrophobicContact CD1-CG1 4.45Å; I284-I328 HydrophobicContact CD1-CG2 3.88Å
285	R	98.1	Very high	98.1	Very high	73 Å²	73	32.2 Å²	32.2	28%	0.275	17%	0.165	S	C	.	.	H	α-helix	trans	-65.6	-26	-178	-71	-173.2	-168.2	-116.7	5.1	113	N281 E282 H287 T288 P289 K327 D386	N281-R285 PolarHBondContact ND2-NE 3.49Å; N281-R285 WeakPolarHBondContact O-CB 3.31Å; N281-R285 WeakPolarHBondContact O-CG 3.5Å; N281-R285 PolarHBondContact O-N 2.9Å; N281-R285 PolarHBondContact OD1-NE 3.16Å; E282-R285 PolarHBondContact O-N 3.12Å; R285-H287 PolarHBondContact O-N 2.67Å; R285-T288 CarbonylContact O-C 3.58Å; R285-P289 VanDerWaalsContact O-CA 3.29Å; R285-P289 WeakPolarHBondContact O-CA 3.46Å; R285-K327 PolarHBondContact NH2-O 3.34Å; R285-D386 IonicContact CZ-OD2 3.92Å; R285-D386 IonicContact NH1-OD2 2.78Å; R285-D386 PolarHBondContact NH1-OD2 2.87Å; R285-D386 IonicContact NH2-OD2 2.98Å; R285-D386 PolarHBondContact NH2-OD2 3.18Å
286	M	96.3	Very high	98.1	Very high	89 Å²	89	30.1 Å²	30.1	44%	0.438	15%	0.15	S	C	.	.	H	α-helix	trans	-63.3	-29.4	168.9	-70.7	-168.9	-73.1	0	0	113.1	E282 Y283 I284 Y639	E282-M286 WeakPolarHBondContact O-CG 3.44Å; E282-M286 PolarHBondContact O-N 3.05Å; Y283-M286 HydrophobicContact CD2-CE 3.73Å; Y283-M286 HydrophobicContact CE2-CE 4.43Å; Y283-M286 HydrophobicContact CG-CE 4.37Å; I284-M286 VanDerWaalsContact C-N 3.25Å; I284-M286 PolarHBondContact O-N 3.34Å; M286-Y639 HydrophobicContact CB-CD1 4.43Å; M286-Y639 HydrophobicContact CB-CD2 3.72Å; M286-Y639 HydrophobicContact CB-CE1 4.38Å; M286-Y639 HydrophobicContact CB-CE2 3.68Å; M286-Y639 HydrophobicContact CB-CG 4.12Å; M286-Y639 HydrophobicContact CE-CG 4.04Å; M286-Y639 WeakPolarHBondContact O-CE2 3.34Å; M286-Y639 PolarHBondContact O-OH 3.2Å; M286-Y639 HydrophobicContact SD-CD1 3.82Å; M286-Y639 HydrophobicContact SD-CD2 4.47Å; M286-Y639 HydrophobicContact SD-CE1 4.33Å; M286-Y639 HydrophobicContact SD-CG 3.91Å
287	H	96.2	Very high	98.1	Very high	28 Å²	28	30.1 Å²	30.1	13%	0.13	15%	0.15	C	C	.	.	H	α-helix	trans	-94.3	-36.1	178.6	-68.5	94	0	0	0	113.7	Y210 F236 Y283 I284 R285 Y639	Y210-H287 HydrophobicContact CE1-CB 4.47Å; F236-H287 HydrophobicContact CE1-CB 4.35Å; F236-H287 AromaticContact CE1-CE1 3.84Å; F236-H287 AromaticContact CE1-CG 3.91Å; F236-H287 AromaticContact CE1-ND1 3.61Å; F236-H287 HydrophobicContact CZ-CB 3.68Å; F236-H287 AromaticContact CZ-CG 3.74Å; F236-H287 AromaticContact CZ-ND1 3.86Å; Y283-H287 AromaticContact CE1-CE1 3.5Å; Y283-H287 VanDerWaalsContact CE1-CE1 3.5Å; Y283-H287 WeakPolarHBondContact CE1-CE1 3.25Å; Y283-H287 AromaticContact CE1-ND1 3.99Å; Y283-H287 AromaticContact CZ-CE1 3.56Å; Y283-H287 PolarHBondContact O-ND1 2.7Å; I284-H287 WeakPolarHBondContact O-CA 3.38Å; I284-H287 WeakPolarHBondContact O-CB 3.41Å; I284-H287 PolarHBondContact O-N 3.31Å; R285-H287 PolarHBondContact O-N 2.67Å; H287-Y639 AromaticContact CE1-CD2 3.45Å; H287-Y639 VanDerWaalsContact CE1-CD2 3.45Å; H287-Y639 WeakPolarHBondContact CE1-CD2 3.39Å; H287-Y639 AromaticContact ND1-CD2 3.75Å; H287-Y639 AromaticContact NE2-CD2 3.6Å
288	T	97.2	Very high	97.8	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.031	15%	0.154	C	C	.	.			trans	-142.5	93.5	-179.2	-176.7	0	0	0	0	108.2	Y210 I284 R285 Q290 G291 V292 R330	Y210-T288 HydrophobicContact CD1-CG2 3.93Å; Y210-T288 HydrophobicContact CD2-CG2 4.3Å; Y210-T288 HydrophobicContact CE1-CG2 4.39Å; Y210-T288 HydrophobicContact CG-CG2 3.86Å; I284-T288 HydrophobicContact CG2-CG2 3.85Å; I284-T288 PolarHBondContact O-N 3.09Å; R285-T288 CarbonylContact O-C 3.58Å; T288-Q290 PolarHBondContact O-N 2.91Å; T288-G291 PolarHBondContact O-N 2.8Å; T288-G291 PolarHBondContact OG1-O 2.89Å; T288-V292 HydrophobicContact CG2-CG1 4.4Å; T288-R330 PolarHBondContact OG1-NH2 3.26Å
289	P	97.2	Very high	97.4	Very high	82 Å²	82	28.4 Å²	28.4	53%	0.532	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25	-170.5	-27.6	34.9	0	0	0	114.6	R285 G291	R285-P289 VanDerWaalsContact O-CA 3.29Å; R285-P289 WeakPolarHBondContact O-CA 3.46Å; P289-G291 VanDerWaalsContact C-N 3.34Å
290	Q	96.6	Very high	96.8	Very high	115 Å²	115	29.7 Å²	29.7	54%	0.537	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.4	177.7	-63.1	68.7	44.8	0	0	113.1	T288 R330	T288-Q290 PolarHBondContact O-N 2.91Å; Q290-R330 HydrophobicContact CB-CB 4.22Å; Q290-R330 WeakPolarHBondContact O-CA 3.44Å; Q290-R330 WeakPolarHBondContact O-CB 3.42Å
291	G	98.4	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.			trans	96.4	174.5	-170.7	0	0	0	0	0	113.3	T288 P289 I328 R330	T288-G291 PolarHBondContact O-N 2.8Å; T288-G291 PolarHBondContact OG1-O 2.89Å; P289-G291 VanDerWaalsContact C-N 3.34Å; G291-I328 CarbonylContact C-O 3.59Å; G291-I328 WeakPolarHBondContact CA-O 3.47Å; G291-R330 PolarHBondContact O-NE 3.21Å; G291-R330 PolarHBondContact O-NH2 3.33Å
292	V	98.8	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	154.5	-178.5	-61.9	0	0	0	0	112.4	T212 F236 I284 T288 F294 I328 L329 R330	T212-V292 WeakPolarHBondContact OG1-CG1 3.38Å; F236-V292 HydrophobicContact CD2-CG1 3.99Å; F236-V292 HydrophobicContact CE2-CG1 4.19Å; I284-V292 HydrophobicContact CD1-CG1 4.36Å; I284-V292 HydrophobicContact CG2-CG1 3.68Å; T288-V292 HydrophobicContact CG2-CG1 4.4Å; V292-F294 WeakPolarHBondContact CG2-O 3.42Å; V292-I328 HydrophobicContact CG2-CD1 4.45Å; V292-I328 HydrophobicContact CG2-CG1 4.17Å; V292-I328 PolarHBondContact N-O 2.85Å; V292-L329 HydrophobicContact CG2-CD2 4Å; V292-R330 VanDerWaalsContact O-CG 3.3Å; V292-R330 WeakPolarHBondContact O-CG 3.45Å; V292-R330 PolarHBondContact O-N 3.12Å; V292-R330 VanDerWaalsContact O-N 3.07Å
293	H	98.8	Very high	94.3	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.023	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-37.3	177.9	-61.6	89.3	0	0	0	111.8	L208 L209 Y210 R330 G333 S334	L208-H293 PolarHBondContact O-CE1 2.69Å; L209-H293 HydrophobicContact CD1-CB 3.89Å; Y210-H293 AromaticContact CD2-CE1 3.87Å; Y210-H293 PolarHBondContact N-ND1 3.43Å; Y210-H293 WeakPolarHBondContact O-CB 3.1Å; Y210-H293 PolarHBondContact O-N 3.39Å; Y210-H293 PolarHBondContact O-ND1 3.28Å; H293-R330 PolarHBondContact CD2-NH1 3.42Å; H293-R330 VanDerWaalsContact CD2-NH1 3.3Å; H293-R330 VanDerWaalsContact CE1-CZ 3.45Å; H293-R330 PolarHBondContact CE1-NH1 2.98Å; H293-R330 PolarHBondContact CE1-NH2 3.05Å; H293-R330 VanDerWaalsContact NE2-CZ 3.33Å; H293-R330 PolarHBondContact NE2-NH1 3.17Å; H293-G333 CarbonylContact O-C 3.55Å; H293-G333 WeakPolarHBondContact O-CA 3.36Å; H293-S334 PolarHBondContact O-N 2.48Å
294	F	98.9	Very high	93.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158	173.4	68.4	-85.2	0	0	0	112.1	F191 L209 F211 T212 V225 V292 M296 S334	F191-F294 HydrophobicContact CB-CD1 4.42Å; F191-F294 HydrophobicContact CB-CD2 4.1Å; F191-F294 HydrophobicContact CB-CE1 4.39Å; F191-F294 HydrophobicContact CB-CE2 4.03Å; F191-F294 HydrophobicContact CB-CG 4.28Å; F191-F294 HydrophobicContact CB-CZ 4.17Å; F191-F294 HydrophobicContact CD1-CB 3.86Å; F191-F294 AromaticContact CD1-CD2 3.61Å; F191-F294 HydrophobicContact CD1-CD2 3.61Å; F191-F294 HydrophobicContact CD1-CE2 4.3Å; F191-F294 AromaticContact CD1-CG 3.8Å; F191-F294 HydrophobicContact CD1-CG 3.8Å; F191-F294 HydrophobicContact CE1-CB 4.45Å; F191-F294 HydrophobicContact CG-CD2 4.31Å; F191-F294 WeakPolarHBondContact O-CD1 3.49Å; F191-F294 WeakPolarHBondContact O-CE1 3.4Å; L209-F294 HydrophobicContact CD1-CD1 4.23Å; L209-F294 HydrophobicContact CD1-CE1 3.92Å; L209-F294 HydrophobicContact CD2-CE1 3.97Å; L209-F294 HydrophobicContact CG-CE1 3.99Å; F211-F294 WeakPolarHBondContact CA-O 3.48Å; F211-F294 HydrophobicContact CB-CD1 4.06Å; F211-F294 HydrophobicContact CB-CD2 4.01Å; F211-F294 HydrophobicContact CB-CE1 3.59Å; F211-F294 HydrophobicContact CB-CE2 3.55Å; F211-F294 HydrophobicContact CB-CG 4.26Å; F211-F294 HydrophobicContact CB-CZ 3.34Å; F211-F294 HydrophobicContact CD1-CZ 4.4Å; F211-F294 HydrophobicContact CD2-CE2 4.42Å; F211-F294 HydrophobicContact CD2-CZ 4.49Å; F211-F294 HydrophobicContact CG-CE1 4.45Å; F211-F294 HydrophobicContact CG-CE2 4.16Å; F211-F294 AromaticContact CG-CZ 3.87Å; F211-F294 HydrophobicContact CG-CZ 3.87Å; T212-F294 PolarHBondContact N-O 3.01Å; T212-F294 VanDerWaalsContact N-O 3.15Å; V225-F294 HydrophobicContact CG1-CZ 3.96Å; V225-F294 HydrophobicContact CG2-CE2 4.12Å; V225-F294 HydrophobicContact CG2-CZ 3.94Å; V292-F294 WeakPolarHBondContact CG2-O 3.42Å; F294-M296 HydrophobicContact CD2-CG 3.77Å; F294-M296 HydrophobicContact CD2-SD 4.29Å; F294-M296 HydrophobicContact CE2-CE 4.02Å; F294-M296 HydrophobicContact CE2-CG 3.76Å; F294-M296 HydrophobicContact CE2-SD 3.67Å; F294-S334 CarbonylContact C-O 3.59Å; F294-S334 WeakPolarHBondContact CA-O 3.24Å; F294-S334 VanDerWaalsContact CB-O 3.25Å; F294-S334 WeakPolarHBondContact CB-O 3.11Å
295	A	98.9	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.2	173.4	0	0	0	0	0	109	T212 M214 A325 I328 L329 S334 F335 V336	T212-A295 CarbonylContact O-C 3.59Å; T212-A295 WeakPolarHBondContact O-CA 3.47Å; M214-A295 HydrophobicContact CE-CB 4.01Å; A295-A325 HydrophobicContact CB-CB 4.45Å; A295-I328 HydrophobicContact CB-CD1 4.23Å; A295-L329 HydrophobicContact CB-CD2 4.14Å; A295-L329 HydrophobicContact CB-CG 4.28Å; A295-S334 PolarHBondContact N-O 3.43Å; A295-F335 HydrophobicContact CB-CD2 3.87Å; A295-F335 HydrophobicContact CB-CE2 4.34Å; A295-F335 WeakPolarHBondContact O-CA 3.42Å; A295-F335 WeakPolarHBondContact O-CD2 3.04Å; A295-V336 PolarHBondContact O-N 2.82Å; A295-V336 VanDerWaalsContact O-N 3.08Å
296	M	98.8	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.7	176.2	-46.1	174.1	-71.9	0	0	108.9	M180 F211 T212 D213 M214 F221 V225 F294 V336	M180-M296 HydrophobicContact CE-SD 4.18Å; M180-M296 HydrophobicContact CG-SD 3.86Å; M180-M296 HydrophobicContact SD-CG 4.28Å; M180-M296 HydrophobicContact SD-SD 3.53Å; F211-M296 HydrophobicContact CD2-CE 3.71Å; F211-M296 HydrophobicContact CE2-CE 3.93Å; T212-M296 PolarHBondContact O-N 3.18Å; D213-M296 HydrophobicContact CB-CE 4.08Å; M214-M296 PolarHBondContact N-O 3.33Å; F221-M296 HydrophobicContact CB-CE 3.82Å; F221-M296 HydrophobicContact CB-SD 4.01Å; F221-M296 HydrophobicContact CD2-CB 3.7Å; F221-M296 HydrophobicContact CD2-CG 4.47Å; F221-M296 HydrophobicContact CD2-SD 4.15Å; F221-M296 HydrophobicContact CE2-CB 4.33Å; F221-M296 HydrophobicContact CG-SD 4.44Å; V225-M296 HydrophobicContact CG2-CE 3.72Å; V225-M296 HydrophobicContact CG2-SD 3.89Å; F294-M296 HydrophobicContact CD2-CG 3.77Å; F294-M296 HydrophobicContact CD2-SD 4.29Å; F294-M296 HydrophobicContact CE2-CE 4.02Å; F294-M296 HydrophobicContact CE2-CG 3.76Å; F294-M296 HydrophobicContact CE2-SD 3.67Å; M296-V336 CarbonylContact C-O 3.59Å; M296-V336 WeakPolarHBondContact CA-O 3.44Å; M296-V336 HydrophobicContact CB-CG1 3.82Å; M296-V336 HydrophobicContact CG-CG1 3.72Å
297	A	98.3	Very high	91	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	123.7	175.4	0	0	0	0	0	111.2	M214 Q321 F335 V336 C337 K338	M214-A297 HydrophobicContact CB-CB 4.22Å; M214-A297 HydrophobicContact CE-CB 4.16Å; M214-A297 WeakPolarHBondContact O-CA 3.3Å; A297-Q321 HydrophobicContact CB-CB 4.04Å; A297-Q321 HydrophobicContact CB-CG 3.9Å; A297-F335 HydrophobicContact CB-CE2 4.12Å; A297-F335 HydrophobicContact CB-CZ 4.28Å; A297-V336 PolarHBondContact N-O 3.44Å; A297-C337 HydrophobicContact CB-CB 4.48Å; A297-C337 WeakPolarHBondContact O-CA 3.46Å; A297-K338 PolarHBondContact O-N 2.91Å
298	D	93.3	Very high	90.5	Very high	14 Å²	14	44.4 Å²	44.4	8%	0.075	26%	0.259	C	S	.	.			trans	-117.6	28.3	178.9	-164.4	38.4	0	0	0	111	A176 F221 G300 K338 Y377	A176-D298 WeakPolarHBondContact CB-OD2 3.44Å; F221-D298 HydrophobicContact CD2-CB 4.17Å; F221-D298 HydrophobicContact CE1-CB 4.28Å; F221-D298 HydrophobicContact CE2-CB 3.81Å; F221-D298 HydrophobicContact CZ-CB 3.89Å; D298-G300 PolarHBondContact O-N 3.45Å; D298-K338 WeakPolarHBondContact O-CE 3.33Å; D298-K338 PolarHBondContact O-NZ 3.45Å; D298-K338 VanDerWaalsContact OD1-CD 3.31Å; D298-K338 WeakPolarHBondContact OD1-CD 3.26Å; D298-K338 WeakPolarHBondContact OD1-CE 3.19Å; D298-K338 IonicContact OD1-NZ 3.9Å; D298-K338 PolarHBondContact OD1-NZ 2.88Å; D298-K338 IonicContact OD2-NZ 3.94Å; D298-Y377 PolarHBondContact OD1-OH 3.23Å
299	G	88.8	Confident	90.1	Very high	2 Å²	2	45 Å²	45	2%	0.021	26%	0.262	C	S	.	.			trans	-58.9	134.7	-178.3	0	0	0	0	0	112.5	K338	G299-K338 WeakPolarHBondContact O-CE 3.45Å
300	G	86.1	Confident	89.8	Confident	43 Å²	43	42 Å²	42	44%	0.443	24%	0.241	S	C	.	.			trans	-169.6	156.9	173.4	0	0	0	0	0	110	D298	D298-G300 PolarHBondContact O-N 3.45Å
301	F	84.8	Confident	89.7	Confident	92 Å²	92	36.6 Å²	36.6	40%	0.404	22%	0.216	S	C	.	.			trans	-133.7	161.5	176.6	52.7	-90.2	0	0	0	109.6	V303 L313 L317	F301-V303 HydrophobicContact CD2-CG1 3.81Å; F301-V303 HydrophobicContact CE2-CG1 3.49Å; F301-V303 VanDerWaalsContact CE2-CG1 3.49Å; F301-V303 HydrophobicContact CZ-CG1 4.39Å; F301-V303 PolarHBondContact O-N 2.68Å; F301-L313 HydrophobicContact CE2-CB 4.06Å; F301-L313 HydrophobicContact CZ-CB 3.83Å; F301-L313 WeakPolarHBondContact CZ-O 3.37Å; F301-L317 HydrophobicContact CD1-CD2 4.08Å; F301-L317 HydrophobicContact CE1-CD2 4.22Å
302	S	81	Confident	89.5	Confident	93 Å²	93	37.1 Å²	37.1	65%	0.65	22%	0.218	S	C	*	.			trans	-65.6	125.8	178.1	-171	0	0	0	0	110
303	V	78.6	Confident	89.2	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.079	23%	0.232	C	C	.	.			trans	-118.5	40.4	173.4	-69.6	0	0	0	0	109.8	F301 G305 Q306 K307 Q310 L313	F301-V303 HydrophobicContact CD2-CG1 3.81Å; F301-V303 HydrophobicContact CE2-CG1 3.49Å; F301-V303 VanDerWaalsContact CE2-CG1 3.49Å; F301-V303 HydrophobicContact CZ-CG1 4.39Å; F301-V303 PolarHBondContact O-N 2.68Å; V303-G305 PolarHBondContact O-N 2.63Å; V303-Q306 CarbonylContact O-C 3.56Å; V303-Q306 WeakPolarHBondContact O-CA 3.36Å; V303-Q306 PolarHBondContact O-N 3.01Å; V303-K307 HydrophobicContact CG2-CG 4.27Å; V303-K307 PolarHBondContact O-N 2.89Å; V303-Q310 HydrophobicContact CB-CG 4.48Å; V303-Q310 HydrophobicContact CG1-CB 4.46Å; V303-Q310 HydrophobicContact CG1-CG 4.1Å; V303-Q310 HydrophobicContact CG2-CB 3.96Å; V303-Q310 HydrophobicContact CG2-CG 3.73Å; V303-L313 HydrophobicContact CG1-CD1 3.9Å
304	E	76.8	Confident	89	Confident	131 Å²	131	39.6 Å²	39.6	61%	0.612	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	130.5	179.1	-169.6	168.8	-173.9	0	0	110.8	Q306	E304-Q306 PolarHBondContact O-N 3.1Å
305	G	77.6	Confident	88.9	Confident	80 Å²	80	40.2 Å²	40.2	83%	0.825	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-12.2	-172.2	0	0	0	0	0	116	V303	V303-G305 PolarHBondContact O-N 2.63Å
306	Q	83.2	Confident	88.7	Confident	104 Å²	104	41.9 Å²	41.9	49%	0.486	24%	0.242	S	C	.	.			trans	-125.2	25.2	-174.3	-66.6	-176	-41.2	0	0	113.2	V303 E304 N308 I309 Q310 L313	V303-Q306 CarbonylContact O-C 3.56Å; V303-Q306 WeakPolarHBondContact O-CA 3.36Å; V303-Q306 PolarHBondContact O-N 3.01Å; E304-Q306 PolarHBondContact O-N 3.1Å; Q306-N308 PolarHBondContact O-N 3Å; Q306-N308 VanDerWaalsContact O-N 3.07Å; Q306-I309 HydrophobicContact CB-CD1 4.13Å; Q306-I309 HydrophobicContact CB-CG1 3.87Å; Q306-I309 HydrophobicContact CG-CD1 4.32Å; Q306-I309 VanDerWaalsContact O-CG1 3.29Å; Q306-I309 WeakPolarHBondContact O-CG1 3.23Å; Q306-I309 PolarHBondContact O-N 2.73Å; Q306-Q310 PolarHBondContact O-N 2.94Å; Q306-L313 HydrophobicContact CB-CD1 4.24Å
307	K	82.5	Confident	88.7	Confident	94 Å²	94	42.5 Å²	42.5	41%	0.409	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.8	-178.7	-66.1	178	179.3	172.9	0	114.2	D6 V303 I309	D6-K307 IonicContact OD2-NZ 2.69Å; D6-K307 PolarHBondContact OD2-NZ 3.22Å; V303-K307 HydrophobicContact CG2-CG 4.27Å; V303-K307 PolarHBondContact O-N 2.89Å; K307-I309 VanDerWaalsContact C-N 3.34Å
308	N	85.6	Confident	88.7	Confident	57 Å²	57	42.6 Å²	42.6	31%	0.305	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.7	177	-74	-10.1	0	0	0	113.3	L124 L140 K143 Q306	L124-N308 WeakPolarHBondContact CD1-O 3.25Å; L124-N308 WeakPolarHBondContact CG-O 3.27Å; L140-N308 HydrophobicContact CD2-CB 4.22Å; K143-N308 WeakPolarHBondContact CD-OD1 3.18Å; Q306-N308 PolarHBondContact O-N 3Å; Q306-N308 VanDerWaalsContact O-N 3.07Å
309	I	88.8	Confident	88.9	Confident	19 Å²	19	42 Å²	42	10%	0.097	24%	0.242	C	C	.	.	S	Bend	trans	-116.2	14.9	-178.7	61	166.7	0	0	0	112.3	L122 Q306 K307 E311 I312 L313	L122-I309 WeakPolarHBondContact O-CG2 3.46Å; Q306-I309 HydrophobicContact CB-CD1 4.13Å; Q306-I309 HydrophobicContact CB-CG1 3.87Å; Q306-I309 HydrophobicContact CG-CD1 4.32Å; Q306-I309 VanDerWaalsContact O-CG1 3.29Å; Q306-I309 WeakPolarHBondContact O-CG1 3.23Å; Q306-I309 PolarHBondContact O-N 2.73Å; K307-I309 VanDerWaalsContact C-N 3.34Å; I309-E311 PolarHBondContact O-N 3.49Å; I309-I312 HydrophobicContact CB-CD1 4.29Å; I309-I312 HydrophobicContact CG2-CD1 4.28Å; I309-I312 PolarHBondContact O-N 3Å; I309-L313 HydrophobicContact CD1-CD1 4.04Å; I309-L313 HydrophobicContact CD1-CD2 4.38Å; I309-L313 HydrophobicContact CD1-CG 4.2Å; I309-L313 HydrophobicContact CG1-CD1 3.96Å; I309-L313 HydrophobicContact CG1-CG 4.21Å; I309-L313 WeakPolarHBondContact O-CG 3.41Å; I309-L313 PolarHBondContact O-N 2.89Å
310	Q	91.6	Very high	89.4	Confident	19 Å²	19	41.9 Å²	41.9	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-55.2	-38.5	-177.9	-174.7	172.3	13	0	0	112.5	V303 Q306 L313 S314 F340	V303-Q310 HydrophobicContact CB-CG 4.48Å; V303-Q310 HydrophobicContact CG1-CB 4.46Å; V303-Q310 HydrophobicContact CG1-CG 4.1Å; V303-Q310 HydrophobicContact CG2-CB 3.96Å; V303-Q310 HydrophobicContact CG2-CG 3.73Å; Q306-Q310 PolarHBondContact O-N 2.94Å; Q310-L313 PolarHBondContact O-N 2.75Å; Q310-S314 WeakPolarHBondContact O-CB 3.37Å; Q310-S314 PolarHBondContact O-N 2.95Å; Q310-S314 PolarHBondContact O-OG 3.26Å; Q310-F340 HydrophobicContact CG-CB 4.29Å; Q310-F340 HydrophobicContact CG-CD1 4.49Å; Q310-F340 HydrophobicContact CG-CD2 3.95Å; Q310-F340 HydrophobicContact CG-CE2 4.45Å; Q310-F340 HydrophobicContact CG-CG 3.99Å; Q310-F340 VanDerWaalsContact NE2-CE1 3.32Å; Q310-F340 VanDerWaalsContact NE2-CE2 3.28Å
311	E	94.6	Very high	90	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-49.1	175.7	-176.7	-178.5	169	0	0	111.8	I309 S314 K315 Y318 F340 D341 L342 F343 T344 S347	I309-E311 PolarHBondContact O-N 3.49Å; E311-S314 PolarHBondContact O-N 3.35Å; E311-K315 PolarHBondContact O-N 3.08Å; E311-Y318 HydrophobicContact CG-CE2 4.26Å; E311-F340 WeakPolarHBondContact CG-O 3.18Å; E311-D341 HydrophobicContact CB-CB 4.16Å; E311-D341 HydrophobicContact CG-CB 4.47Å; E311-D341 WeakPolarHBondContact OE2-CB 3.14Å; E311-L342 VanDerWaalsContact OE1-CA 3.25Å; E311-L342 WeakPolarHBondContact OE1-CA 3.32Å; E311-L342 PolarHBondContact OE1-N 3.25Å; E311-L342 PolarHBondContact OE2-N 2.66Å; E311-F343 PolarHBondContact OE1-N 2.9Å; E311-F343 VanDerWaalsContact OE1-N 3.08Å; E311-F343 PolarHBondContact OE2-N 3.31Å; E311-T344 HydrophobicContact CG-CG2 4.13Å; E311-T344 VanDerWaalsContact OE1-CB 3.28Å; E311-T344 WeakPolarHBondContact OE1-CB 3.45Å; E311-T344 WeakPolarHBondContact OE1-CG2 3.39Å; E311-T344 PolarHBondContact OE1-N 2.86Å; E311-T344 PolarHBondContact OE1-OG1 3.17Å; E311-S347 WeakPolarHBondContact CG-OG 3.31Å; E311-S347 WeakPolarHBondContact OE1-CB 3.31Å; E311-S347 PolarHBondContact OE1-OG 2.79Å; E311-S347 VanDerWaalsContact OE1-OG 3.11Å
312	I	93.5	Very high	90.7	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-45.5	-179.2	-56.3	170.7	0	0	0	110	K121 L124 I309 S314 K315 T344	K121-I312 HydrophobicContact CB-CD1 3.94Å; K121-I312 WeakPolarHBondContact O-CG2 3.14Å; L124-I312 HydrophobicContact CD2-CD1 3.93Å; L124-I312 HydrophobicContact CD2-CG1 3.93Å; L124-I312 HydrophobicContact CG-CD1 4.44Å; I309-I312 HydrophobicContact CB-CD1 4.29Å; I309-I312 HydrophobicContact CG2-CD1 4.28Å; I309-I312 PolarHBondContact O-N 3Å; I312-S314 VanDerWaalsContact C-N 3.29Å; I312-S314 PolarHBondContact O-N 2.84Å; I312-K315 WeakPolarHBondContact O-CB 3.48Å; I312-K315 VanDerWaalsContact O-CG 3.3Å; I312-K315 WeakPolarHBondContact O-CG 3.09Å; I312-K315 PolarHBondContact O-N 3.34Å; I312-T344 HydrophobicContact CG1-CG2 4.01Å
313	L	92.7	Very high	91.5	Very high	55 Å²	55	31.1 Å²	31.1	29%	0.288	17%	0.17	S	C	.	.	H	α-helix	trans	-65.7	-33.3	179.7	-62.8	177.2	0	0	0	112.1	F301 V303 Q306 I309 Q310 K315	F301-L313 HydrophobicContact CE2-CB 4.06Å; F301-L313 HydrophobicContact CZ-CB 3.83Å; F301-L313 WeakPolarHBondContact CZ-O 3.37Å; V303-L313 HydrophobicContact CG1-CD1 3.9Å; Q306-L313 HydrophobicContact CB-CD1 4.24Å; I309-L313 HydrophobicContact CD1-CD1 4.04Å; I309-L313 HydrophobicContact CD1-CD2 4.38Å; I309-L313 HydrophobicContact CD1-CG 4.2Å; I309-L313 HydrophobicContact CG1-CD1 3.96Å; I309-L313 HydrophobicContact CG1-CG 4.21Å; I309-L313 WeakPolarHBondContact O-CG 3.41Å; I309-L313 PolarHBondContact O-N 2.89Å; Q310-L313 PolarHBondContact O-N 2.75Å; L313-K315 VanDerWaalsContact C-N 3.35Å
314	S	95.1	Very high	92.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.2	-175.7	-55.6	0	0	0	0	113.6	Q310 E311 I312 Q316 L317 Y318	Q310-S314 WeakPolarHBondContact O-CB 3.37Å; Q310-S314 PolarHBondContact O-N 2.95Å; Q310-S314 PolarHBondContact O-OG 3.26Å; E311-S314 PolarHBondContact O-N 3.35Å; I312-S314 VanDerWaalsContact C-N 3.29Å; I312-S314 PolarHBondContact O-N 2.84Å; S314-Q316 PolarHBondContact O-N 3.12Å; S314-L317 CarbonylContact O-C 3.54Å; S314-L317 WeakPolarHBondContact O-CA 3.38Å; S314-L317 WeakPolarHBondContact O-CB 3.36Å; S314-L317 PolarHBondContact O-N 3.36Å; S314-Y318 WeakPolarHBondContact O-CD1 3.39Å; S314-Y318 PolarHBondContact O-N 3.29Å
315	K	95.7	Very high	93.5	Very high	16 Å²	16	24.2 Å²	24.2	7%	0.07	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-40.8	-168.5	80.8	-178.9	-174.1	168.7	0	113.9	E311 I312 L313 L317 Y318 L319 F346 D413 V414	E311-K315 PolarHBondContact O-N 3.08Å; I312-K315 WeakPolarHBondContact O-CB 3.48Å; I312-K315 VanDerWaalsContact O-CG 3.3Å; I312-K315 WeakPolarHBondContact O-CG 3.09Å; I312-K315 PolarHBondContact O-N 3.34Å; L313-K315 VanDerWaalsContact C-N 3.35Å; K315-L317 VanDerWaalsContact C-N 3.31Å; K315-L317 PolarHBondContact O-N 2.82Å; K315-Y318 WeakPolarHBondContact O-CB 3.4Å; K315-Y318 PolarHBondContact O-N 2.71Å; K315-L319 PolarHBondContact O-N 2.86Å; K315-F346 HydrophobicContact CB-CD1 3.6Å; K315-F346 HydrophobicContact CB-CE1 3.58Å; K315-F346 HydrophobicContact CB-CG 4.47Å; K315-F346 HydrophobicContact CB-CZ 4.47Å; K315-F346 HydrophobicContact CD-CD1 4.07Å; K315-F346 HydrophobicContact CD-CD2 4.42Å; K315-F346 HydrophobicContact CD-CE1 4.19Å; K315-F346 HydrophobicContact CD-CG 4.18Å; K315-F346 HydrophobicContact CD-CZ 4.44Å; K315-F346 HydrophobicContact CG-CD1 4.12Å; K315-F346 HydrophobicContact CG-CE1 3.89Å; K315-F346 HydrophobicContact CG-CZ 4.31Å; K315-D413 WeakPolarHBondContact CE-OD1 3.16Å; K315-D413 IonicContact NZ-OD1 3.59Å; K315-D413 PolarHBondContact NZ-OD1 3.26Å; K315-D413 IonicContact NZ-OD2 3.92Å; K315-D413 PolarHBondContact NZ-OD2 2.91Å; K315-V414 PolarHBondContact NZ-O 3.36Å
316	Q	96.2	Very high	94.5	Very high	34 Å²	34	20.5 Å²	20.5	16%	0.159	10%	0.099	C	C	.	.	H	α-helix	trans	-67.4	-34.9	175.3	-171.5	-179.2	16.4	0	0	111.1	F272 S314 L319 C320 N400 L403 S404	F272-Q316 HydrophobicContact CD1-CG 4.19Å; F272-Q316 HydrophobicContact CE1-CG 4.27Å; F272-Q316 HydrophobicContact CG-CG 4.4Å; S314-Q316 PolarHBondContact O-N 3.12Å; Q316-L319 PolarHBondContact O-N 2.82Å; Q316-C320 WeakPolarHBondContact O-CB 3.46Å; Q316-C320 PolarHBondContact O-N 3.28Å; Q316-C320 PolarHBondContact O-SG 2.84Å; Q316-C320 VanDerWaalsContact O-SG 3.34Å; Q316-N400 PolarHBondContact NE2-OD1 2.85Å; Q316-N400 VanDerWaalsContact NE2-OD1 3.15Å; Q316-L403 HydrophobicContact CB-CD1 4.21Å; Q316-L403 HydrophobicContact CG-CB 4.21Å; Q316-L403 HydrophobicContact CG-CD1 4.26Å; Q316-S404 PolarHBondContact NE2-OG 3.14Å
317	L	97.5	Very high	95.3	Very high	14 Å²	14	16.5 Å²	16.5	7%	0.073	8%	0.079	C	C	.	.	H	α-helix	trans	-66.5	-38	174.8	-177.2	61.5	0	0	0	112.2	I271 F272 F301 S314 K315 Q321	I271-L317 HydrophobicContact CG2-CD1 4.05Å; F272-L317 HydrophobicContact CE1-CB 4.05Å; F272-L317 HydrophobicContact CE1-CD1 3.95Å; F272-L317 HydrophobicContact CZ-CB 4.23Å; F272-L317 HydrophobicContact CZ-CD1 4.48Å; F301-L317 HydrophobicContact CD1-CD2 4.08Å; F301-L317 HydrophobicContact CE1-CD2 4.22Å; S314-L317 CarbonylContact O-C 3.54Å; S314-L317 WeakPolarHBondContact O-CA 3.38Å; S314-L317 WeakPolarHBondContact O-CB 3.36Å; S314-L317 PolarHBondContact O-N 3.36Å; K315-L317 VanDerWaalsContact C-N 3.31Å; K315-L317 PolarHBondContact O-N 2.82Å; L317-Q321 HydrophobicContact CD1-CG 4.19Å; L317-Q321 WeakPolarHBondContact O-CB 3.31Å; L317-Q321 WeakPolarHBondContact O-CG 3.43Å; L317-Q321 PolarHBondContact O-N 3.45Å; L317-Q321 VanDerWaalsContact O-N 3.09Å; L317-Q321 PolarHBondContact O-NE2 2.98Å
318	Y	98.3	Very high	96.1	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-60.9	-51.6	170.5	-55.9	-21.9	0	0	0	110.7	E311 S314 K315 C320 Q321 F322 V339 F340	E311-Y318 HydrophobicContact CG-CE2 4.26Å; S314-Y318 WeakPolarHBondContact O-CD1 3.39Å; S314-Y318 PolarHBondContact O-N 3.29Å; K315-Y318 WeakPolarHBondContact O-CB 3.4Å; K315-Y318 PolarHBondContact O-N 2.71Å; Y318-C320 VanDerWaalsContact C-N 3.35Å; Y318-C320 PolarHBondContact O-N 2.68Å; Y318-Q321 PolarHBondContact O-N 3.34Å; Y318-F322 WeakPolarHBondContact O-CB 3.24Å; Y318-F322 WeakPolarHBondContact O-CD1 3.37Å; Y318-F322 WeakPolarHBondContact O-CG 3.44Å; Y318-F322 PolarHBondContact O-N 3.19Å; Y318-V339 HydrophobicContact CD1-CG1 4.29Å; Y318-V339 HydrophobicContact CE1-CB 4.33Å; Y318-V339 HydrophobicContact CE1-CG1 4.41Å; Y318-F340 HydrophobicContact CE1-CD2 4.25Å; Y318-F340 WeakPolarHBondContact OH-CA 3.38Å; Y318-F340 VanDerWaalsContact OH-CB 3.28Å; Y318-F340 WeakPolarHBondContact OH-CB 3.36Å; Y318-F340 WeakPolarHBondContact OH-CD2 3.43Å; Y318-F340 PolarHBondContact OH-N 2.75Å; Y318-F340 PolarHBondContact OH-O 2.69Å
319	L	98.6	Very high	96.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-54	-50.9	-179.7	-178	150.9	0	0	0	111.4	K315 Q316 F322 L323 F346 L350 L396 V399 N400 L403 I417	K315-L319 PolarHBondContact O-N 2.86Å; Q316-L319 PolarHBondContact O-N 2.82Å; L319-F322 PolarHBondContact O-N 3.34Å; L319-L323 VanDerWaalsContact O-CB 3.26Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 PolarHBondContact O-N 2.96Å; L319-F346 HydrophobicContact CD1-CZ 3.91Å; L319-L350 HydrophobicContact CB-CD1 4.1Å; L319-L350 HydrophobicContact CB-CD2 4.21Å; L319-L350 HydrophobicContact CD1-CD2 4.37Å; L319-L350 HydrophobicContact CG-CD2 4.26Å; L319-L396 HydrophobicContact CD1-CD2 4.41Å; L319-L396 HydrophobicContact CG-CD2 4.44Å; L319-V399 HydrophobicContact CD1-CB 3.92Å; L319-V399 HydrophobicContact CD1-CG1 3.55Å; L319-N400 HydrophobicContact CD2-CB 3.57Å; L319-L403 HydrophobicContact CD1-CD1 4.22Å; L319-I417 HydrophobicContact CD1-CD1 3.86Å
320	C	98.7	Very high	97.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70	-36.4	-175.9	-70.1	0	0	0	0	112.9	I271 F272 Q316 Y318 F322 T324 N400	I271-C320 HydrophobicContact CG1-CB 4.21Å; I271-C320 HydrophobicContact CG2-CB 4.04Å; F272-C320 HydrophobicContact CD1-CB 3.98Å; F272-C320 HydrophobicContact CE1-CB 4.46Å; Q316-C320 WeakPolarHBondContact O-CB 3.46Å; Q316-C320 PolarHBondContact O-N 3.28Å; Q316-C320 PolarHBondContact O-SG 2.84Å; Q316-C320 VanDerWaalsContact O-SG 3.34Å; Y318-C320 VanDerWaalsContact C-N 3.35Å; Y318-C320 PolarHBondContact O-N 2.68Å; C320-F322 VanDerWaalsContact C-N 3.34Å; C320-T324 VanDerWaalsContact O-CB 3.24Å; C320-T324 WeakPolarHBondContact O-CB 3.32Å; C320-T324 PolarHBondContact O-N 2.9Å; C320-T324 PolarHBondContact O-OG1 2.69Å; C320-N400 VanDerWaalsContact SG-CG 3.5Å; C320-N400 PolarHBondContact SG-OD1 2.74Å
321	Q	98.7	Very high	97.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.5	-40.5	172.4	-71.4	172.5	117.3	0	0	111.1	I271 A297 L317 Y318 A325 F335	I271-Q321 HydrophobicContact CD1-CG 4.12Å; A297-Q321 HydrophobicContact CB-CB 4.04Å; A297-Q321 HydrophobicContact CB-CG 3.9Å; L317-Q321 HydrophobicContact CD1-CG 4.19Å; L317-Q321 WeakPolarHBondContact O-CB 3.31Å; L317-Q321 WeakPolarHBondContact O-CG 3.43Å; L317-Q321 PolarHBondContact O-N 3.45Å; L317-Q321 VanDerWaalsContact O-N 3.09Å; L317-Q321 PolarHBondContact O-NE2 2.98Å; Y318-Q321 PolarHBondContact O-N 3.34Å; Q321-A325 WeakPolarHBondContact O-CB 3.48Å; Q321-A325 PolarHBondContact O-N 3.49Å; Q321-F335 HydrophobicContact CB-CZ 4.49Å
322	F	98.8	Very high	97.4	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-69.2	-48	179.5	-70.9	15.5	0	0	0	111.2	Y318 L319 C320 T324 A325 L326 F335 C337 V339 L350 M354 L378	Y318-F322 WeakPolarHBondContact O-CB 3.24Å; Y318-F322 WeakPolarHBondContact O-CD1 3.37Å; Y318-F322 WeakPolarHBondContact O-CG 3.44Å; Y318-F322 PolarHBondContact O-N 3.19Å; L319-F322 PolarHBondContact O-N 3.34Å; C320-F322 VanDerWaalsContact C-N 3.34Å; F322-T324 PolarHBondContact O-N 2.79Å; F322-A325 WeakPolarHBondContact O-CB 3.23Å; F322-A325 PolarHBondContact O-N 3.5Å; F322-L326 WeakPolarHBondContact O-CG 3.41Å; F322-L326 PolarHBondContact O-N 2.69Å; F322-F335 AromaticContact CD1-CE1 3.58Å; F322-F335 HydrophobicContact CD1-CE1 3.58Å; F322-F335 HydrophobicContact CD1-CZ 4.11Å; F322-F335 HydrophobicContact CE1-CE1 4.05Å; F322-F335 HydrophobicContact CG-CE1 4.33Å; F322-C337 HydrophobicContact CD1-CB 4.26Å; F322-C337 HydrophobicContact CE1-CB 3.68Å; F322-V339 HydrophobicContact CE1-CG1 4.27Å; F322-V339 HydrophobicContact CZ-CG1 3.98Å; F322-L350 HydrophobicContact CD2-CB 4.02Å; F322-L350 HydrophobicContact CD2-CD2 4.48Å; F322-L350 HydrophobicContact CE2-CB 3.86Å; F322-M354 HydrophobicContact CB-CE 4.17Å; F322-M354 HydrophobicContact CB-CG 4.36Å; F322-M354 HydrophobicContact CB-SD 3.83Å; F322-M354 HydrophobicContact CD2-CG 3.33Å; F322-M354 HydrophobicContact CD2-SD 3.96Å; F322-M354 HydrophobicContact CE2-CG 3.75Å; F322-M354 HydrophobicContact CG-CE 4.24Å; F322-M354 HydrophobicContact CG-CG 3.98Å; F322-M354 HydrophobicContact CG-SD 4.07Å; F322-L378 HydrophobicContact CE1-CD2 4.19Å; F322-L378 HydrophobicContact CE2-CD2 3.78Å; F322-L378 HydrophobicContact CZ-CD2 3.51Å
323	L	98.8	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.4	-50	176.1	174	56.4	0	0	0	111.1	Q277 L319 A325 L326 K327 V393 L396 N397	Q277-L323 VanDerWaalsContact OE1-CD2 3.27Å; L319-L323 VanDerWaalsContact O-CB 3.26Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 PolarHBondContact O-N 2.96Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 3.47Å; L323-L326 PolarHBondContact O-N 3.09Å; L323-L326 VanDerWaalsContact O-N 3.17Å; L323-K327 HydrophobicContact CD1-CD 4.38Å; L323-K327 HydrophobicContact CD1-CG 4.34Å; L323-K327 HydrophobicContact CG-CD 4.42Å; L323-K327 WeakPolarHBondContact O-CG 3.15Å; L323-K327 PolarHBondContact O-N 2.82Å; L323-V393 HydrophobicContact CD1-CG1 3.94Å; L323-V393 WeakPolarHBondContact CD1-O 3.49Å; L323-L396 HydrophobicContact CB-CB 4.32Å; L323-L396 HydrophobicContact CD1-CB 4.02Å; L323-N397 HydrophobicContact CD1-CB 4.41Å; L323-N397 HydrophobicContact CD2-CB 4.03Å
324	T	98.9	Very high	97.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-42	179.5	-53	0	0	0	0	110.8	M214 Q277 L280 C320 F322 L326 K327 I328	M214-T324 HydrophobicContact SD-CG2 3.43Å; M214-T324 WeakPolarHBondContact SD-CG2 3.36Å; Q277-T324 WeakPolarHBondContact CG-OG1 3.47Å; L280-T324 HydrophobicContact CD2-CG2 3.85Å; C320-T324 VanDerWaalsContact O-CB 3.24Å; C320-T324 WeakPolarHBondContact O-CB 3.32Å; C320-T324 PolarHBondContact O-N 2.9Å; C320-T324 PolarHBondContact O-OG1 2.69Å; F322-T324 PolarHBondContact O-N 2.79Å; T324-L326 VanDerWaalsContact C-N 3.34Å; T324-L326 PolarHBondContact O-N 3.13Å; T324-K327 PolarHBondContact O-N 3.16Å; T324-K327 VanDerWaalsContact O-N 3.16Å; T324-I328 HydrophobicContact CG2-CD1 4.48Å; T324-I328 HydrophobicContact CG2-CG2 4.4Å; T324-I328 WeakPolarHBondContact O-CG1 3.36Å; T324-I328 WeakPolarHBondContact O-CG2 2.95Å; T324-I328 PolarHBondContact O-N 3.29Å; T324-I328 VanDerWaalsContact O-N 3.14Å
325	A	98.9	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.4	-45.6	174.1	0	0	0	0	0	112	M214 A295 Q321 F322 L323 K327 I328 L329 F335	M214-A325 HydrophobicContact CE-CB 4.09Å; A295-A325 HydrophobicContact CB-CB 4.45Å; Q321-A325 WeakPolarHBondContact O-CB 3.48Å; Q321-A325 PolarHBondContact O-N 3.49Å; F322-A325 WeakPolarHBondContact O-CB 3.23Å; F322-A325 PolarHBondContact O-N 3.5Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 3.47Å; A325-K327 VanDerWaalsContact C-N 3.32Å; A325-K327 PolarHBondContact O-N 3.29Å; A325-I328 PolarHBondContact O-N 2.96Å; A325-L329 HydrophobicContact CB-CD1 4.11Å; A325-L329 WeakPolarHBondContact O-CB 3.47Å; A325-L329 VanDerWaalsContact O-CD1 3.31Å; A325-L329 WeakPolarHBondContact O-CD1 3.5Å; A325-L329 WeakPolarHBondContact O-CG 3.4Å; A325-L329 PolarHBondContact O-N 3.24Å; A325-F335 HydrophobicContact CB-CD1 3.95Å; A325-F335 HydrophobicContact CB-CD2 3.52Å; A325-F335 HydrophobicContact CB-CE1 3.89Å; A325-F335 HydrophobicContact CB-CE2 3.5Å; A325-F335 HydrophobicContact CB-CG 3.76Å; A325-F335 HydrophobicContact CB-CZ 3.66Å
326	L	98.8	Very high	98.3	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-63.8	-34.5	177	-68	174.6	0	0	0	112.7	F322 L323 T324 M354 C357 F358 K383 I392 V393 L396	F322-L326 WeakPolarHBondContact O-CG 3.41Å; F322-L326 PolarHBondContact O-N 2.69Å; L323-L326 PolarHBondContact O-N 3.09Å; L323-L326 VanDerWaalsContact O-N 3.17Å; T324-L326 VanDerWaalsContact C-N 3.34Å; T324-L326 PolarHBondContact O-N 3.13Å; L326-M354 HydrophobicContact CD1-SD 3.96Å; L326-M354 HydrophobicContact CD2-CE 4.34Å; L326-M354 HydrophobicContact CD2-SD 4.25Å; L326-M354 HydrophobicContact CG-CE 4.37Å; L326-M354 HydrophobicContact CG-SD 4.09Å; L326-C357 HydrophobicContact CD2-CB 3.66Å; L326-F358 HydrophobicContact CD2-CE2 3.69Å; L326-F358 HydrophobicContact CD2-CZ 4.31Å; L326-K383 HydrophobicContact CD2-CG 4.49Å; L326-K383 WeakPolarHBondContact O-CE 3.35Å; L326-I392 HydrophobicContact CD1-CG2 4.31Å; L326-V393 HydrophobicContact CB-CG2 3.7Å; L326-V393 HydrophobicContact CD1-CG2 4.12Å; L326-L396 HydrophobicContact CD1-CD1 3.96Å
327	K	98.7	Very high	98.4	Very high	19 Å²	19	9.2 Å²	9.2	8%	0.083	5%	0.05	C	C	.	.	H	α-helix	trans	-66.7	-39.2	177.2	-72.5	179.8	174.7	-176.2	0	112.5	Q277 D278 N281 R285 L323 T324 A325 V393 N397	Q277-K327 HydrophobicContact CB-CD 4.23Å; D278-K327 WeakPolarHBondContact OD1-CE 3.25Å; D278-K327 IonicContact OD1-NZ 3.99Å; D278-K327 PolarHBondContact OD1-NZ 2.86Å; N281-K327 HydrophobicContact CB-CB 4.44Å; N281-K327 PolarHBondContact OD1-O 3.43Å; R285-K327 PolarHBondContact NH2-O 3.34Å; L323-K327 HydrophobicContact CD1-CD 4.38Å; L323-K327 HydrophobicContact CD1-CG 4.34Å; L323-K327 HydrophobicContact CG-CD 4.42Å; L323-K327 WeakPolarHBondContact O-CG 3.15Å; L323-K327 PolarHBondContact O-N 2.82Å; T324-K327 PolarHBondContact O-N 3.16Å; T324-K327 VanDerWaalsContact O-N 3.16Å; A325-K327 VanDerWaalsContact C-N 3.32Å; A325-K327 PolarHBondContact O-N 3.29Å; K327-V393 HydrophobicContact CG-CG1 4.14Å; K327-N397 PolarHBondContact NZ-OD1 3.01Å
328	I	98.8	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-102.4	-17	-166.5	71.9	-176.4	0	0	0	115.4	T212 M214 N281 I284 G291 V292 A295 T324 A325	T212-I328 HydrophobicContact CG2-CD1 3.69Å; M214-I328 HydrophobicContact SD-CD1 3.92Å; N281-I328 HydrophobicContact CB-CG2 3.95Å; I284-I328 HydrophobicContact CD1-CB 3.86Å; I284-I328 HydrophobicContact CD1-CD1 4.03Å; I284-I328 HydrophobicContact CD1-CG1 4.45Å; I284-I328 HydrophobicContact CD1-CG2 3.88Å; G291-I328 CarbonylContact C-O 3.59Å; G291-I328 WeakPolarHBondContact CA-O 3.47Å; V292-I328 HydrophobicContact CG2-CD1 4.45Å; V292-I328 HydrophobicContact CG2-CG1 4.17Å; V292-I328 PolarHBondContact N-O 2.85Å; A295-I328 HydrophobicContact CB-CD1 4.23Å; T324-I328 HydrophobicContact CG2-CD1 4.48Å; T324-I328 HydrophobicContact CG2-CG2 4.4Å; T324-I328 WeakPolarHBondContact O-CG1 3.36Å; T324-I328 WeakPolarHBondContact O-CG2 2.95Å; T324-I328 PolarHBondContact O-N 3.29Å; T324-I328 VanDerWaalsContact O-N 3.14Å; A325-I328 PolarHBondContact O-N 2.96Å
329	L	98.8	Very high	98.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.9	-177.4	-81.2	169	0	0	0	112	V292 A295 A325 S334 F335 F358 K383	V292-L329 HydrophobicContact CG2-CD2 4Å; A295-L329 HydrophobicContact CB-CD2 4.14Å; A295-L329 HydrophobicContact CB-CG 4.28Å; A325-L329 HydrophobicContact CB-CD1 4.11Å; A325-L329 WeakPolarHBondContact O-CB 3.47Å; A325-L329 VanDerWaalsContact O-CD1 3.31Å; A325-L329 WeakPolarHBondContact O-CD1 3.5Å; A325-L329 WeakPolarHBondContact O-CG 3.4Å; A325-L329 PolarHBondContact O-N 3.24Å; L329-S334 VanDerWaalsContact CD2-O 3.26Å; L329-S334 WeakPolarHBondContact CD2-O 3.27Å; L329-F335 HydrophobicContact CD1-CB 3.95Å; L329-F358 HydrophobicContact CD1-CE1 4.22Å; L329-F358 HydrophobicContact CD1-CZ 3.84Å; L329-K383 HydrophobicContact CB-CD 3.53Å; L329-K383 HydrophobicContact CD1-CD 4.47Å
330	R	97.9	Very high	98.2	Very high	35 Å²	35	9.2 Å²	9.2	13%	0.132	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	159.7	168.8	71.2	-177.2	59	-167.6	-0.2	112.7	T288 Q290 G291 V292 H293 N332 G333	T288-R330 PolarHBondContact OG1-NH2 3.26Å; Q290-R330 HydrophobicContact CB-CB 4.22Å; Q290-R330 WeakPolarHBondContact O-CA 3.44Å; Q290-R330 WeakPolarHBondContact O-CB 3.42Å; G291-R330 PolarHBondContact O-NE 3.21Å; G291-R330 PolarHBondContact O-NH2 3.33Å; V292-R330 VanDerWaalsContact O-CG 3.3Å; V292-R330 WeakPolarHBondContact O-CG 3.45Å; V292-R330 PolarHBondContact O-N 3.12Å; V292-R330 VanDerWaalsContact O-N 3.07Å; H293-R330 PolarHBondContact CD2-NH1 3.42Å; H293-R330 VanDerWaalsContact CD2-NH1 3.3Å; H293-R330 VanDerWaalsContact CE1-CZ 3.45Å; H293-R330 PolarHBondContact CE1-NH1 2.98Å; H293-R330 PolarHBondContact CE1-NH2 3.05Å; H293-R330 VanDerWaalsContact NE2-CZ 3.33Å; H293-R330 PolarHBondContact NE2-NH1 3.17Å; R330-N332 PolarHBondContact O-N 3.18Å; R330-G333 WeakPolarHBondContact O-CA 3.33Å; R330-G333 PolarHBondContact O-N 3.35Å
331	P	96.3	Very high	97.9	Very high	58 Å²	58	9.2 Å²	9.2	38%	0.377	5%	0.049	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	139.6	163.6	-24.1	34.2	0	0	0	111.2	G333	P331-G333 PolarHBondContact O-N 2.65Å
332	N	96.2	Very high	97.8	Very high	54 Å²	54	9.3 Å²	9.3	29%	0.289	5%	0.049	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64	8.9	-168.6	-55.1	-49.9	0	0	0	115.2	R330 Y382 K383	R330-N332 PolarHBondContact O-N 3.18Å; N332-Y382 HydrophobicContact CB-CD1 4.22Å; N332-K383 PolarHBondContact N-O 3.04Å
333	G	98.1	Very high	97.7	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	166.3	174.1	0	0	0	0	0	113.1	H293 R330 P331 Y382 K383	H293-G333 CarbonylContact O-C 3.55Å; H293-G333 WeakPolarHBondContact O-CA 3.36Å; R330-G333 WeakPolarHBondContact O-CA 3.33Å; R330-G333 PolarHBondContact O-N 3.35Å; P331-G333 PolarHBondContact O-N 2.65Å; G333-Y382 CarbonylContact O-C 3.49Å; G333-Y382 WeakPolarHBondContact O-CA 3.38Å; G333-Y382 PolarHBondContact O-N 3.46Å; G333-Y382 VanDerWaalsContact O-N 3.1Å; G333-K383 PolarHBondContact O-N 3.33Å
334	S	98.7	Very high	97.6	Very high	7 Å²	7	9.7 Å²	9.7	5%	0.049	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.8	-179.1	-57.8	0	0	0	0	112.4	M190 H293 F294 A295 L329 C380	M190-S334 WeakPolarHBondContact CE-OG 3.39Å; H293-S334 PolarHBondContact O-N 2.48Å; F294-S334 CarbonylContact C-O 3.59Å; F294-S334 WeakPolarHBondContact CA-O 3.24Å; F294-S334 VanDerWaalsContact CB-O 3.25Å; F294-S334 WeakPolarHBondContact CB-O 3.11Å; A295-S334 PolarHBondContact N-O 3.43Å; L329-S334 VanDerWaalsContact CD2-O 3.26Å; L329-S334 WeakPolarHBondContact CD2-O 3.27Å; S334-C380 CarbonylContact C-O 3.56Å; S334-C380 VanDerWaalsContact CA-O 3.29Å; S334-C380 WeakPolarHBondContact CA-O 3.3Å; S334-C380 WeakPolarHBondContact CB-O 3.08Å
335	F	98.9	Very high	97.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.1	-178.4	-177.4	-134.2	0	0	0	110.5	M214 A295 A297 Q321 F322 A325 L329 C337 M354 F358 V379 C380	M214-F335 HydrophobicContact CE-CE2 3.71Å; M214-F335 HydrophobicContact CE-CZ 4.35Å; A295-F335 HydrophobicContact CB-CD2 3.87Å; A295-F335 HydrophobicContact CB-CE2 4.34Å; A295-F335 WeakPolarHBondContact O-CA 3.42Å; A295-F335 WeakPolarHBondContact O-CD2 3.04Å; A297-F335 HydrophobicContact CB-CE2 4.12Å; A297-F335 HydrophobicContact CB-CZ 4.28Å; Q321-F335 HydrophobicContact CB-CZ 4.49Å; F322-F335 AromaticContact CD1-CE1 3.58Å; F322-F335 HydrophobicContact CD1-CE1 3.58Å; F322-F335 HydrophobicContact CD1-CZ 4.11Å; F322-F335 HydrophobicContact CE1-CE1 4.05Å; F322-F335 HydrophobicContact CG-CE1 4.33Å; A325-F335 HydrophobicContact CB-CD1 3.95Å; A325-F335 HydrophobicContact CB-CD2 3.52Å; A325-F335 HydrophobicContact CB-CE1 3.89Å; A325-F335 HydrophobicContact CB-CE2 3.5Å; A325-F335 HydrophobicContact CB-CG 3.76Å; A325-F335 HydrophobicContact CB-CZ 3.66Å; L329-F335 HydrophobicContact CD1-CB 3.95Å; F335-C337 HydrophobicContact CD1-CB 4.43Å; F335-C337 HydrophobicContact CE1-CB 3.58Å; F335-C337 HydrophobicContact CE2-CB 4.23Å; F335-C337 HydrophobicContact CZ-CB 3.46Å; F335-C337 VanDerWaalsContact CZ-CB 3.46Å; F335-M354 HydrophobicContact CD1-CE 3.61Å; F335-M354 HydrophobicContact CE1-CE 3.95Å; F335-F358 HydrophobicContact CB-CE1 4.31Å; F335-F358 HydrophobicContact CB-CZ 4.03Å; F335-V379 CarbonylContact O-C 3.52Å; F335-V379 WeakPolarHBondContact O-CA 3.49Å; F335-C380 HydrophobicContact CB-CB 4.14Å; F335-C380 PolarHBondContact N-O 3.48Å; F335-C380 PolarHBondContact O-N 3.37Å
336	V	98.9	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.8	165.9	56.3	0	0	0	0	109.6	M180 I183 F191 A295 M296 A297 Y377 L378 V379	M180-V336 HydrophobicContact CE-CG1 4.15Å; M180-V336 HydrophobicContact SD-CG1 4.02Å; I183-V336 HydrophobicContact CD1-CG2 4.29Å; I183-V336 HydrophobicContact CG2-CG2 4.2Å; F191-V336 HydrophobicContact CD1-CG1 4.5Å; F191-V336 HydrophobicContact CE1-CB 4.03Å; F191-V336 HydrophobicContact CE1-CG1 3.83Å; F191-V336 HydrophobicContact CZ-CB 3.71Å; F191-V336 HydrophobicContact CZ-CG1 3.86Å; A295-V336 PolarHBondContact O-N 2.82Å; A295-V336 VanDerWaalsContact O-N 3.08Å; M296-V336 CarbonylContact C-O 3.59Å; M296-V336 WeakPolarHBondContact CA-O 3.44Å; M296-V336 HydrophobicContact CB-CG1 3.82Å; M296-V336 HydrophobicContact CG-CG1 3.72Å; A297-V336 PolarHBondContact N-O 3.44Å; V336-Y377 HydrophobicContact CG2-CD1 3.88Å; V336-Y377 HydrophobicContact CG2-CG 4.4Å; V336-L378 CarbonylContact C-O 3.38Å; V336-L378 WeakPolarHBondContact CA-O 3.32Å; V336-V379 HydrophobicContact CB-CG2 4.45Å; V336-V379 HydrophobicContact CG2-CG2 4.06Å
337	C	98.7	Very high	97.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.6	178	-166.9	0	0	0	0	111.1	A297 F322 F335 Y377 L378	A297-C337 HydrophobicContact CB-CB 4.48Å; A297-C337 WeakPolarHBondContact O-CA 3.46Å; F322-C337 HydrophobicContact CD1-CB 4.26Å; F322-C337 HydrophobicContact CE1-CB 3.68Å; F335-C337 HydrophobicContact CD1-CB 4.43Å; F335-C337 HydrophobicContact CE1-CB 3.58Å; F335-C337 HydrophobicContact CE2-CB 4.23Å; F335-C337 HydrophobicContact CZ-CB 3.46Å; F335-C337 VanDerWaalsContact CZ-CB 3.46Å; C337-Y377 CarbonylContact O-C 3.41Å; C337-Y377 VanDerWaalsContact O-CA 3.29Å; C337-Y377 WeakPolarHBondContact O-CA 3.26Å; C337-L378 PolarHBondContact N-O 2.91Å; C337-L378 PolarHBondContact O-N 2.99Å
338	K	97.7	Very high	97.4	Very high	11 Å²	11	9.1 Å²	9.1	5%	0.048	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	134.5	164.9	-179.7	166.8	61.5	-158.7	0	110.2	A297 D298 G299 F340 E375 Y377	A297-K338 PolarHBondContact O-N 2.91Å; D298-K338 WeakPolarHBondContact O-CE 3.33Å; D298-K338 PolarHBondContact O-NZ 3.45Å; D298-K338 VanDerWaalsContact OD1-CD 3.31Å; D298-K338 WeakPolarHBondContact OD1-CD 3.26Å; D298-K338 WeakPolarHBondContact OD1-CE 3.19Å; D298-K338 IonicContact OD1-NZ 3.9Å; D298-K338 PolarHBondContact OD1-NZ 2.88Å; D298-K338 IonicContact OD2-NZ 3.94Å; G299-K338 WeakPolarHBondContact O-CE 3.45Å; K338-F340 HydrophobicContact CD-CE1 4.31Å; K338-F340 HydrophobicContact CD-CE2 4.22Å; K338-F340 HydrophobicContact CD-CZ 3.69Å; K338-F340 HydrophobicContact CG-CE2 4.25Å; K338-F340 HydrophobicContact CG-CZ 4.1Å; K338-E375 HydrophobicContact CD-CG 3.64Å; K338-E375 WeakPolarHBondContact CD-OE2 3.29Å; K338-E375 HydrophobicContact CG-CG 3.8Å; K338-E375 IonicContact NZ-OE2 3.82Å; K338-Y377 HydrophobicContact CB-CD1 4.13Å; K338-Y377 HydrophobicContact CB-CE1 3.68Å; K338-Y377 HydrophobicContact CG-CE1 4.34Å
339	V	97.7	Very high	97.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.8	170.2	-59.8	0	0	0	0	109.2	Y318 F322 L342 R376	Y318-V339 HydrophobicContact CD1-CG1 4.29Å; Y318-V339 HydrophobicContact CE1-CB 4.33Å; Y318-V339 HydrophobicContact CE1-CG1 4.41Å; F322-V339 HydrophobicContact CE1-CG1 4.27Å; F322-V339 HydrophobicContact CZ-CG1 3.98Å; V339-L342 HydrophobicContact CB-CD2 4.18Å; V339-L342 HydrophobicContact CG2-CD1 4.04Å; V339-L342 HydrophobicContact CG2-CD2 4.03Å; V339-L342 HydrophobicContact CG2-CG 4.08Å; V339-R376 HydrophobicContact CG2-CG 3.77Å; V339-R376 PolarHBondContact N-O 3.39Å; V339-R376 PolarHBondContact O-N 3.26Å
340	F	95	Very high	97.4	Very high	5 Å²	5	9.1 Å²	9.1	2%	0.022	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.4	173.5	-54.6	-86	0	0	0	108.8	Q310 E311 Y318 K338 L342 S374 E375	Q310-F340 HydrophobicContact CG-CB 4.29Å; Q310-F340 HydrophobicContact CG-CD1 4.49Å; Q310-F340 HydrophobicContact CG-CD2 3.95Å; Q310-F340 HydrophobicContact CG-CE2 4.45Å; Q310-F340 HydrophobicContact CG-CG 3.99Å; Q310-F340 VanDerWaalsContact NE2-CE1 3.32Å; Q310-F340 VanDerWaalsContact NE2-CE2 3.28Å; E311-F340 WeakPolarHBondContact CG-O 3.18Å; Y318-F340 HydrophobicContact CE1-CD2 4.25Å; Y318-F340 WeakPolarHBondContact OH-CA 3.38Å; Y318-F340 VanDerWaalsContact OH-CB 3.28Å; Y318-F340 WeakPolarHBondContact OH-CB 3.36Å; Y318-F340 WeakPolarHBondContact OH-CD2 3.43Å; Y318-F340 PolarHBondContact OH-N 2.75Å; Y318-F340 PolarHBondContact OH-O 2.69Å; K338-F340 HydrophobicContact CD-CE1 4.31Å; K338-F340 HydrophobicContact CD-CE2 4.22Å; K338-F340 HydrophobicContact CD-CZ 3.69Å; K338-F340 HydrophobicContact CG-CE2 4.25Å; K338-F340 HydrophobicContact CG-CZ 4.1Å; F340-L342 PolarHBondContact O-N 3.45Å; F340-L342 VanDerWaalsContact O-N 3.08Å; F340-S374 WeakPolarHBondContact CA-O 3.45Å; F340-E375 HydrophobicContact CD1-CB 4.08Å; F340-E375 HydrophobicContact CE1-CB 3.83Å; F340-E375 HydrophobicContact CE1-CG 4.22Å
341	D	92.7	Very high	97.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.044	C	C	.	.			trans	64.6	-90.3	174.5	-63	-45.2	0	0	0	116	K143 E311 F343 S374 R376 N437	K143-D341 IonicContact NZ-OD2 3.74Å; E311-D341 HydrophobicContact CB-CB 4.16Å; E311-D341 HydrophobicContact CG-CB 4.47Å; E311-D341 WeakPolarHBondContact OE2-CB 3.14Å; D341-F343 HydrophobicContact CB-CD2 3.67Å; D341-F343 HydrophobicContact CB-CE2 3.81Å; D341-F343 HydrophobicContact CB-CG 4.46Å; D341-S374 VanDerWaalsContact CG-CB 3.43Å; D341-S374 PolarHBondContact N-O 3.27Å; D341-S374 WeakPolarHBondContact OD1-CB 3.28Å; D341-S374 PolarHBondContact OD1-OG 3.18Å; D341-S374 VanDerWaalsContact OD2-CB 3.3Å; D341-S374 WeakPolarHBondContact OD2-CB 3.5Å; D341-S374 PolarHBondContact OD2-OG 3.19Å; D341-R376 VanDerWaalsContact C-NH2 3.31Å; D341-R376 PolarHBondContact O-NE 3.26Å; D341-R376 PolarHBondContact O-NH2 3.44Å; D341-R376 IonicContact OD1-NH2 3.72Å; D341-N437 PolarHBondContact O-OD1 2.9Å
342	L	97.1	Very high	97.5	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.027	C	C	.	.			trans	82.1	38	-167.1	-45.6	172.8	0	0	0	113.5	E311 V339 F340 V348 V351 I363 N437	E311-L342 VanDerWaalsContact OE1-CA 3.25Å; E311-L342 WeakPolarHBondContact OE1-CA 3.32Å; E311-L342 PolarHBondContact OE1-N 3.25Å; E311-L342 PolarHBondContact OE2-N 2.66Å; V339-L342 HydrophobicContact CB-CD2 4.18Å; V339-L342 HydrophobicContact CG2-CD1 4.04Å; V339-L342 HydrophobicContact CG2-CD2 4.03Å; V339-L342 HydrophobicContact CG2-CG 4.08Å; F340-L342 PolarHBondContact O-N 3.45Å; F340-L342 VanDerWaalsContact O-N 3.08Å; L342-V348 HydrophobicContact CB-CG2 4.32Å; L342-V348 VanDerWaalsContact O-CG2 3.26Å; L342-V348 WeakPolarHBondContact O-CG2 3.48Å; L342-V351 HydrophobicContact CD1-CG2 4.16Å; L342-V351 HydrophobicContact CD2-CG2 3.86Å; L342-I363 HydrophobicContact CD1-CD1 3.68Å; L342-I363 HydrophobicContact CD1-CG1 4.24Å; L342-I363 HydrophobicContact CD1-CG2 4.31Å; L342-N437 PolarHBondContact O-ND2 3.26Å
343	F	96.4	Very high	97.6	Very high	1 Å²	1	2.5 Å²	2.5	0%	0.004	1%	0.013	C	C	.	.			trans	-93.5	-23.9	169.4	-59.1	-50	0	0	0	112.5	L124 E127 Y130 C131 L136 I139 E311 D341 N437	L124-F343 HydrophobicContact CD1-CD2 4.27Å; E127-F343 HydrophobicContact CB-CB 4.03Å; Y130-F343 WeakPolarHBondContact CD2-O 3.43Å; C131-F343 HydrophobicContact CB-CD1 3.83Å; C131-F343 HydrophobicContact CB-CE1 3.66Å; C131-F343 VanDerWaalsContact SG-CD1 3.53Å; L136-F343 HydrophobicContact CD1-CD2 3.87Å; L136-F343 HydrophobicContact CD1-CE2 4.03Å; L136-F343 HydrophobicContact CD1-CG 4.32Å; I139-F343 HydrophobicContact CD1-CE2 4.4Å; I139-F343 HydrophobicContact CD1-CZ 3.9Å; E311-F343 PolarHBondContact OE1-N 2.9Å; E311-F343 VanDerWaalsContact OE1-N 3.08Å; E311-F343 PolarHBondContact OE2-N 3.31Å; D341-F343 HydrophobicContact CB-CD2 3.67Å; D341-F343 HydrophobicContact CB-CE2 3.81Å; D341-F343 HydrophobicContact CB-CG 4.46Å; F343-N437 HydrophobicContact CE1-CB 4.08Å
344	T	96.6	Very high	97.6	Very high	9 Å²	9	2.5 Å²	2.5	6%	0.055	1%	0.013	C	C	.	.	S	Bend	trans	-79.2	144.5	-177.7	65.2	0	0	0	0	111.6	L124 E311 I312 F346 S347 V348	L124-T344 HydrophobicContact CD2-CG2 3.55Å; E311-T344 HydrophobicContact CG-CG2 4.13Å; E311-T344 VanDerWaalsContact OE1-CB 3.28Å; E311-T344 WeakPolarHBondContact OE1-CB 3.45Å; E311-T344 WeakPolarHBondContact OE1-CG2 3.39Å; E311-T344 PolarHBondContact OE1-N 2.86Å; E311-T344 PolarHBondContact OE1-OG1 3.17Å; I312-T344 HydrophobicContact CG1-CG2 4.01Å; T344-F346 PolarHBondContact O-N 3.33Å; T344-S347 PolarHBondContact O-N 2.77Å; T344-S347 WeakPolarHBondContact OG1-CB 3.48Å; T344-S347 PolarHBondContact OG1-N 3.1Å; T344-S347 PolarHBondContact OG1-OG 3.21Å; T344-V348 WeakPolarHBondContact O-CG2 3.2Å; T344-V348 PolarHBondContact O-N 2.69Å
345	P	97.3	Very high	97.5	Very high	4 Å²	4	2.3 Å²	2.3	3%	0.026	1%	0.011	C	C	.	.	H	α-helix	trans	-60.3	-34.8	174.8	-17.6	27.1	0	0	0	113	E127 Y130 G349 E416	E127-P345 WeakPolarHBondContact OE2-CD 3.44Å; Y130-P345 HydrophobicContact CE2-CB 4.21Å; Y130-P345 HydrophobicContact CE2-CG 4.31Å; P345-G349 WeakPolarHBondContact O-CA 3.36Å; P345-G349 PolarHBondContact O-N 3.47Å; P345-E416 HydrophobicContact CB-CB 4.24Å; P345-E416 HydrophobicContact CB-CG 3.76Å; P345-E416 HydrophobicContact CG-CG 4.27Å
346	F	97.5	Very high	97.5	Very high	4 Å²	4	2.5 Å²	2.5	2%	0.018	1%	0.012	C	C	.	.	H	α-helix	trans	-58.3	-53	174.7	-173.6	-84.5	0	0	0	111.4	K315 L319 T344 G349 L350 V399 L403 V414 L415 I417	K315-F346 HydrophobicContact CB-CD1 3.6Å; K315-F346 HydrophobicContact CB-CE1 3.58Å; K315-F346 HydrophobicContact CB-CG 4.47Å; K315-F346 HydrophobicContact CB-CZ 4.47Å; K315-F346 HydrophobicContact CD-CD1 4.07Å; K315-F346 HydrophobicContact CD-CD2 4.42Å; K315-F346 HydrophobicContact CD-CE1 4.19Å; K315-F346 HydrophobicContact CD-CG 4.18Å; K315-F346 HydrophobicContact CD-CZ 4.44Å; K315-F346 HydrophobicContact CG-CD1 4.12Å; K315-F346 HydrophobicContact CG-CE1 3.89Å; K315-F346 HydrophobicContact CG-CZ 4.31Å; L319-F346 HydrophobicContact CD1-CZ 3.91Å; T344-F346 PolarHBondContact O-N 3.33Å; F346-G349 PolarHBondContact O-N 2.99Å; F346-L350 HydrophobicContact CD1-CD1 3.94Å; F346-L350 HydrophobicContact CD1-CG 4.3Å; F346-L350 HydrophobicContact CE1-CD1 3.47Å; F346-L350 VanDerWaalsContact CE1-CD1 3.47Å; F346-L350 HydrophobicContact CE1-CG 4Å; F346-L350 HydrophobicContact CZ-CD1 4.35Å; F346-L350 PolarHBondContact O-N 2.76Å; F346-V399 HydrophobicContact CE2-CG1 4.31Å; F346-L403 HydrophobicContact CE2-CD1 4.23Å; F346-L403 HydrophobicContact CZ-CD1 3.86Å; F346-V414 HydrophobicContact CD2-CB 4.34Å; F346-V414 HydrophobicContact CD2-CG1 3.94Å; F346-V414 WeakPolarHBondContact CD2-O 3.26Å; F346-V414 HydrophobicContact CE2-CB 4.06Å; F346-V414 HydrophobicContact CE2-CG1 3.78Å; F346-L415 WeakPolarHBondContact CB-O 3.5Å; F346-L415 PolarHBondContact N-O 2.97Å; F346-I417 HydrophobicContact CD2-CB 4.11Å; F346-I417 HydrophobicContact CE2-CB 4.17Å; F346-I417 HydrophobicContact CE2-CD1 4.17Å; F346-I417 HydrophobicContact CZ-CD1 4.23Å; F346-I417 WeakPolarHBondContact O-CG2 3.3Å
347	S	98.2	Very high	97.4	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.007	1%	0.012	C	C	.	.	H	α-helix	trans	-69.3	-39	-177.3	-58.7	0	0	0	0	112.2	E311 T344 L350 V351	E311-S347 WeakPolarHBondContact CG-OG 3.31Å; E311-S347 WeakPolarHBondContact OE1-CB 3.31Å; E311-S347 PolarHBondContact OE1-OG 2.79Å; E311-S347 VanDerWaalsContact OE1-OG 3.11Å; T344-S347 PolarHBondContact O-N 2.77Å; T344-S347 WeakPolarHBondContact OG1-CB 3.48Å; T344-S347 PolarHBondContact OG1-N 3.1Å; T344-S347 PolarHBondContact OG1-OG 3.21Å; S347-L350 WeakPolarHBondContact O-CB 3.38Å; S347-L350 PolarHBondContact O-N 3.1Å; S347-V351 WeakPolarHBondContact O-CG2 3.41Å; S347-V351 PolarHBondContact O-N 3.41Å
348	V	98.5	Very high	97.4	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-66.5	-39	175	174.2	0	0	0	0	111.2	Y130 L342 T344 V351 Y352 L423 F429 I433	Y130-V348 HydrophobicContact CD1-CG1 3.9Å; Y130-V348 HydrophobicContact CD1-CG2 4.36Å; Y130-V348 HydrophobicContact CD2-CB 4.1Å; Y130-V348 HydrophobicContact CD2-CG1 4.35Å; Y130-V348 HydrophobicContact CD2-CG2 3.69Å; Y130-V348 HydrophobicContact CE1-CB 4.45Å; Y130-V348 HydrophobicContact CE1-CG1 3.76Å; Y130-V348 HydrophobicContact CE2-CB 4.03Å; Y130-V348 HydrophobicContact CE2-CG1 4.24Å; Y130-V348 HydrophobicContact CE2-CG2 4.14Å; Y130-V348 HydrophobicContact CG-CB 4.34Å; Y130-V348 HydrophobicContact CG-CG1 4.19Å; Y130-V348 HydrophobicContact CG-CG2 3.81Å; L342-V348 HydrophobicContact CB-CG2 4.32Å; L342-V348 VanDerWaalsContact O-CG2 3.26Å; L342-V348 WeakPolarHBondContact O-CG2 3.48Å; T344-V348 WeakPolarHBondContact O-CG2 3.2Å; T344-V348 PolarHBondContact O-N 2.69Å; V348-V351 PolarHBondContact O-N 2.76Å; V348-Y352 PolarHBondContact O-N 2.91Å; V348-L423 HydrophobicContact CG1-CD1 4.15Å; V348-F429 HydrophobicContact CG1-CE1 3.92Å; V348-F429 HydrophobicContact CG1-CZ 4.27Å; V348-I433 HydrophobicContact CG1-CG1 4.3Å; V348-I433 HydrophobicContact CG1-CG2 4.16Å; V348-I433 HydrophobicContact CG2-CG2 4.06Å
349	G	98.3	Very high	97.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.3	-40.3	173	0	0	0	0	0	112.4	P345 F346 Y352 L353	P345-G349 WeakPolarHBondContact O-CA 3.36Å; P345-G349 PolarHBondContact O-N 3.47Å; F346-G349 PolarHBondContact O-N 2.99Å; G349-Y352 WeakPolarHBondContact O-CB 2.63Å; G349-Y352 PolarHBondContact O-N 3.23Å; G349-L353 WeakPolarHBondContact O-CG 3.35Å; G349-L353 PolarHBondContact O-N 3.24Å
350	L	98.6	Very high	97.3	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-59.8	-46.1	171.1	-79	179.1	0	0	0	111.9	L319 F322 F346 S347 Y352 L353 M354 L396 I417	L319-L350 HydrophobicContact CB-CD1 4.1Å; L319-L350 HydrophobicContact CB-CD2 4.21Å; L319-L350 HydrophobicContact CD1-CD2 4.37Å; L319-L350 HydrophobicContact CG-CD2 4.26Å; F322-L350 HydrophobicContact CD2-CB 4.02Å; F322-L350 HydrophobicContact CD2-CD2 4.48Å; F322-L350 HydrophobicContact CE2-CB 3.86Å; F346-L350 HydrophobicContact CD1-CD1 3.94Å; F346-L350 HydrophobicContact CD1-CG 4.3Å; F346-L350 HydrophobicContact CE1-CD1 3.47Å; F346-L350 VanDerWaalsContact CE1-CD1 3.47Å; F346-L350 HydrophobicContact CE1-CG 4Å; F346-L350 HydrophobicContact CZ-CD1 4.35Å; F346-L350 PolarHBondContact O-N 2.76Å; S347-L350 WeakPolarHBondContact O-CB 3.38Å; S347-L350 PolarHBondContact O-N 3.1Å; L350-Y352 VanDerWaalsContact C-N 3.28Å; L350-Y352 PolarHBondContact O-N 2.95Å; L350-L353 PolarHBondContact O-N 2.97Å; L350-M354 WeakPolarHBondContact O-CG 3.48Å; L350-M354 PolarHBondContact O-N 3.05Å; L350-L396 HydrophobicContact CD2-CD2 3.61Å; L350-I417 HydrophobicContact CD2-CD1 3.73Å; L350-I417 HydrophobicContact CD2-CG2 4.49Å; L350-I417 HydrophobicContact CG-CD1 4.41Å; L350-I417 HydrophobicContact CG-CG2 4.27Å
351	V	98.6	Very high	97.4	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.028	C	C	.	.	H	α-helix	trans	-61.8	-38.5	176.6	174.8	0	0	0	0	110.9	L342 S347 V348 M354 Y355 I361 I363 L378 F429 I433	L342-V351 HydrophobicContact CD1-CG2 4.16Å; L342-V351 HydrophobicContact CD2-CG2 3.86Å; S347-V351 WeakPolarHBondContact O-CG2 3.41Å; S347-V351 PolarHBondContact O-N 3.41Å; V348-V351 PolarHBondContact O-N 2.76Å; V351-M354 PolarHBondContact O-N 2.79Å; V351-Y355 WeakPolarHBondContact O-CB 3.36Å; V351-Y355 PolarHBondContact O-N 3.15Å; V351-I361 HydrophobicContact CG1-CD1 3.72Å; V351-I363 HydrophobicContact CG1-CD1 4.45Å; V351-L378 HydrophobicContact CG1-CD1 4.04Å; V351-L378 HydrophobicContact CG2-CD2 4.28Å; V351-F429 HydrophobicContact CB-CZ 4.45Å; V351-F429 HydrophobicContact CG1-CE2 4.07Å; V351-F429 HydrophobicContact CG1-CZ 4.12Å; V351-I433 HydrophobicContact CG1-CD1 3.99Å
352	Y	97.9	Very high	97.7	Very high	7 Å²	7	5.9 Å²	5.9	3%	0.027	3%	0.028	C	C	.	.	H	α-helix	trans	-63.1	-45.8	175.9	-171.8	-112	0	0	0	112	V348 G349 L350 M354 Y355 K356 F418 L423 D426 F429	V348-Y352 PolarHBondContact O-N 2.91Å; G349-Y352 WeakPolarHBondContact O-CB 2.63Å; G349-Y352 PolarHBondContact O-N 3.23Å; L350-Y352 VanDerWaalsContact C-N 3.28Å; L350-Y352 PolarHBondContact O-N 2.95Å; Y352-M354 VanDerWaalsContact C-N 3.3Å; Y352-M354 PolarHBondContact O-N 3.3Å; Y352-Y355 HydrophobicContact CD2-CD1 4.03Å; Y352-Y355 HydrophobicContact CE2-CD1 4.12Å; Y352-Y355 HydrophobicContact CE2-CE1 4.44Å; Y352-Y355 WeakPolarHBondContact O-CA 2.96Å; Y352-Y355 VanDerWaalsContact O-CB 3.29Å; Y352-Y355 WeakPolarHBondContact O-CB 3.4Å; Y352-Y355 PolarHBondContact O-N 3.29Å; Y352-Y355 VanDerWaalsContact O-N 3.09Å; Y352-K356 HydrophobicContact CE1-CG 4.4Å; Y352-K356 VanDerWaalsContact CE2-CE 3.42Å; Y352-K356 WeakPolarHBondContact O-CG 3.38Å; Y352-K356 PolarHBondContact O-N 3.41Å; Y352-K356 WeakPolarHBondContact OH-CE 3.41Å; Y352-K356 PolarHBondContact OH-NZ 3.47Å; Y352-F418 AromaticContact CD1-CD1 3.77Å; Y352-F418 HydrophobicContact CD1-CD1 3.77Å; Y352-F418 HydrophobicContact CD1-CD2 4.06Å; Y352-F418 AromaticContact CD1-CE1 3.77Å; Y352-F418 HydrophobicContact CD1-CE1 3.77Å; Y352-F418 HydrophobicContact CD1-CE2 4.05Å; Y352-F418 AromaticContact CD1-CG 3.92Å; Y352-F418 HydrophobicContact CD1-CG 3.92Å; Y352-F418 AromaticContact CD1-CZ 3.92Å; Y352-F418 HydrophobicContact CD1-CZ 3.92Å; Y352-F418 AromaticContact CE1-CD1 3.88Å; Y352-F418 HydrophobicContact CE1-CD1 3.88Å; Y352-F418 HydrophobicContact CE1-CD2 4.41Å; Y352-F418 AromaticContact CE1-CE1 3.38Å; Y352-F418 HydrophobicContact CE1-CE1 3.38Å; Y352-F418 AromaticContact CE1-CE2 3.97Å; Y352-F418 HydrophobicContact CE1-CE2 3.97Å; Y352-F418 HydrophobicContact CE1-CG 4.37Å; Y352-F418 AromaticContact CE1-CZ 3.44Å; Y352-F418 HydrophobicContact CE1-CZ 3.44Å; Y352-F418 VanDerWaalsContact CE1-CZ 3.44Å; Y352-L423 HydrophobicContact CD1-CD1 4.32Å; Y352-L423 HydrophobicContact CD2-CD1 4.34Å; Y352-L423 HydrophobicContact CD2-CG 4.2Å; Y352-L423 HydrophobicContact CE2-CG 4.48Å; Y352-L423 HydrophobicContact CG-CD1 3.92Å; Y352-L423 HydrophobicContact CG-CG 4.2Å; Y352-D426 HydrophobicContact CE2-CB 3.92Å; Y352-F429 HydrophobicContact CD2-CB 4.3Å; Y352-F429 AromaticContact CD2-CD1 3.46Å; Y352-F429 HydrophobicContact CD2-CD1 3.46Å; Y352-F429 VanDerWaalsContact CD2-CD1 3.46Å; Y352-F429 AromaticContact CD2-CD2 3.74Å; Y352-F429 HydrophobicContact CD2-CD2 3.74Å; Y352-F429 AromaticContact CD2-CE1 3.58Å; Y352-F429 HydrophobicContact CD2-CE1 3.58Å; Y352-F429 AromaticContact CD2-CE2 3.85Å; Y352-F429 HydrophobicContact CD2-CE2 3.85Å; Y352-F429 AromaticContact CD2-CG 3.55Å; Y352-F429 HydrophobicContact CD2-CG 3.55Å; Y352-F429 AromaticContact CD2-CZ 3.78Å; Y352-F429 HydrophobicContact CD2-CZ 3.78Å; Y352-F429 HydrophobicContact CE2-CB 4.19Å; Y352-F429 HydrophobicContact CE2-CD1 4.01Å; Y352-F429 HydrophobicContact CE2-CD2 4.39Å; Y352-F429 AromaticContact CE2-CG 3.94Å; Y352-F429 HydrophobicContact CE2-CG 3.94Å; Y352-F429 HydrophobicContact CG-CD1 4.42Å; Y352-F429 HydrophobicContact CG-CE1 4.13Å; Y352-F429 HydrophobicContact CG-CZ 4.19Å
353	L	98.1	Very high	97.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.4	-40.7	174.8	-67.9	169.9	0	0	0	111.5	L111 G349 L350 K356 C357 I392 Y395 L396 I417 F418	L111-L353 HydrophobicContact CD2-CD2 4.03Å; G349-L353 WeakPolarHBondContact O-CG 3.35Å; G349-L353 PolarHBondContact O-N 3.24Å; L350-L353 PolarHBondContact O-N 2.97Å; L353-K356 PolarHBondContact O-N 2.85Å; L353-C357 PolarHBondContact O-N 3.38Å; L353-C357 PolarHBondContact O-SG 3.42Å; L353-C357 VanDerWaalsContact O-SG 3.42Å; L353-I392 HydrophobicContact CB-CG2 4.1Å; L353-I392 HydrophobicContact CD2-CD1 4.08Å; L353-I392 HydrophobicContact CD2-CG1 4.17Å; L353-I392 HydrophobicContact CD2-CG2 4.31Å; L353-Y395 HydrophobicContact CD1-CD1 4.11Å; L353-Y395 HydrophobicContact CD1-CE1 3.86Å; L353-L396 HydrophobicContact CD1-CD2 3.78Å; L353-I417 HydrophobicContact CD1-CD1 4.44Å; L353-I417 HydrophobicContact CD1-CG1 4.43Å; L353-I417 HydrophobicContact CD1-CG2 4.27Å; L353-F418 HydrophobicContact CD2-CD2 3.83Å; L353-F418 HydrophobicContact CD2-CE2 4.19Å; L353-F418 HydrophobicContact CG-CD2 4.38Å
354	M	98.4	Very high	97.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.6	-39.5	173.3	-65.8	-57.1	-80.6	0	0	112.1	F322 L326 F335 L350 V351 Y352 K356 C357 F358 L378	F322-M354 HydrophobicContact CB-CE 4.17Å; F322-M354 HydrophobicContact CB-CG 4.36Å; F322-M354 HydrophobicContact CB-SD 3.83Å; F322-M354 HydrophobicContact CD2-CG 3.33Å; F322-M354 HydrophobicContact CD2-SD 3.96Å; F322-M354 HydrophobicContact CE2-CG 3.75Å; F322-M354 HydrophobicContact CG-CE 4.24Å; F322-M354 HydrophobicContact CG-CG 3.98Å; F322-M354 HydrophobicContact CG-SD 4.07Å; L326-M354 HydrophobicContact CD1-SD 3.96Å; L326-M354 HydrophobicContact CD2-CE 4.34Å; L326-M354 HydrophobicContact CD2-SD 4.25Å; L326-M354 HydrophobicContact CG-CE 4.37Å; L326-M354 HydrophobicContact CG-SD 4.09Å; F335-M354 HydrophobicContact CD1-CE 3.61Å; F335-M354 HydrophobicContact CE1-CE 3.95Å; L350-M354 WeakPolarHBondContact O-CG 3.48Å; L350-M354 PolarHBondContact O-N 3.05Å; V351-M354 PolarHBondContact O-N 2.79Å; Y352-M354 VanDerWaalsContact C-N 3.3Å; Y352-M354 PolarHBondContact O-N 3.3Å; M354-K356 VanDerWaalsContact C-N 3.25Å; M354-K356 PolarHBondContact O-N 3.17Å; M354-C357 PolarHBondContact O-N 2.96Å; M354-C357 VanDerWaalsContact O-N 3.14Å; M354-F358 HydrophobicContact CE-CD2 4.33Å; M354-F358 HydrophobicContact CE-CE2 3.5Å; M354-F358 HydrophobicContact CE-CZ 4.19Å; M354-F358 VanDerWaalsContact O-CD2 3.28Å; M354-F358 WeakPolarHBondContact O-CD2 3.48Å; M354-F358 PolarHBondContact O-N 3.22Å; M354-F358 VanDerWaalsContact O-N 3.15Å; M354-F358 HydrophobicContact SD-CE2 4.39Å; M354-L378 HydrophobicContact CB-CD2 4.1Å; M354-L378 HydrophobicContact CG-CD2 4.17Å
355	Y	97.6	Very high	97.9	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-59.5	-35	172.7	170.2	-121.4	0	0	0	112.4	L96 H97 N98 V351 Y352 I361 D426 F429	L96-Y355 HydrophobicContact CB-CE2 4.46Å; L96-Y355 HydrophobicContact CD2-CD2 3.85Å; L96-Y355 HydrophobicContact CD2-CE1 4.29Å; L96-Y355 HydrophobicContact CD2-CE2 3.57Å; L96-Y355 HydrophobicContact CD2-CG 4.3Å; L96-Y355 HydrophobicContact CG-CD2 4.17Å; L96-Y355 HydrophobicContact CG-CE2 3.54Å; H97-Y355 PolarHBondContact O-OH 3.4Å; N98-Y355 WeakPolarHBondContact CA-OH 3.43Å; N98-Y355 HydrophobicContact CB-CD2 3.82Å; N98-Y355 HydrophobicContact CB-CE1 4.41Å; N98-Y355 HydrophobicContact CB-CE2 3.3Å; N98-Y355 PolarHBondContact ND2-O 3.49Å; V351-Y355 WeakPolarHBondContact O-CB 3.36Å; V351-Y355 PolarHBondContact O-N 3.15Å; Y352-Y355 HydrophobicContact CD2-CD1 4.03Å; Y352-Y355 HydrophobicContact CE2-CD1 4.12Å; Y352-Y355 HydrophobicContact CE2-CE1 4.44Å; Y352-Y355 WeakPolarHBondContact O-CA 2.96Å; Y352-Y355 VanDerWaalsContact O-CB 3.29Å; Y352-Y355 WeakPolarHBondContact O-CB 3.4Å; Y352-Y355 PolarHBondContact O-N 3.29Å; Y352-Y355 VanDerWaalsContact O-N 3.09Å; Y355-I361 HydrophobicContact CD2-CD1 4.34Å; Y355-I361 HydrophobicContact CD2-CG1 3.99Å; Y355-I361 HydrophobicContact CG-CD1 4.41Å; Y355-D426 WeakPolarHBondContact CE1-OD2 3.31Å; Y355-F429 HydrophobicContact CD1-CB 4.37Å; Y355-F429 AromaticContact CD1-CD2 3.5Å; Y355-F429 HydrophobicContact CD1-CD2 3.5Å; Y355-F429 HydrophobicContact CD1-CE2 4.15Å; Y355-F429 HydrophobicContact CD1-CG 4.21Å; Y355-F429 HydrophobicContact CE1-CB 4.03Å; Y355-F429 AromaticContact CE1-CD2 3.97Å; Y355-F429 HydrophobicContact CE1-CD2 3.97Å; Y355-F429 HydrophobicContact CE1-CG 4.37Å; Y355-F429 AromaticContact CG-CD2 3.89Å; Y355-F429 HydrophobicContact CG-CD2 3.89Å; Y355-F429 HydrophobicContact CG-CE2 4.25Å
356	K	97.3	Very high	97.9	Very high	5 Å²	5	7.7 Å²	7.7	2%	0.022	4%	0.036	C	C	.	.	H	α-helix	trans	-71.9	-35	172.9	-58.9	-52.4	178.6	-176.3	0	113.3	N98 S101 A103 Y106 Y352 L353 M354 R384 I392 D426	N98-K356 WeakPolarHBondContact ND2-CA 3.41Å; S101-K356 WeakPolarHBondContact O-CD 3.16Å; A103-K356 HydrophobicContact CB-CB 4.48Å; A103-K356 PolarHBondContact N-O 3.2Å; Y106-K356 HydrophobicContact CE2-CD 4.43Å; Y106-K356 HydrophobicContact CE2-CG 4.05Å; Y352-K356 HydrophobicContact CE1-CG 4.4Å; Y352-K356 VanDerWaalsContact CE2-CE 3.42Å; Y352-K356 WeakPolarHBondContact O-CG 3.38Å; Y352-K356 PolarHBondContact O-N 3.41Å; Y352-K356 WeakPolarHBondContact OH-CE 3.41Å; Y352-K356 PolarHBondContact OH-NZ 3.47Å; L353-K356 PolarHBondContact O-N 2.85Å; M354-K356 VanDerWaalsContact C-N 3.25Å; M354-K356 PolarHBondContact O-N 3.17Å; K356-R384 WeakPolarHBondContact O-CD 3.21Å; K356-R384 PolarHBondContact O-NE 2.82Å; K356-R384 VanDerWaalsContact O-NE 3.16Å; K356-I392 HydrophobicContact CB-CD1 4.03Å; K356-D426 IonicContact NZ-OD2 3.57Å; K356-D426 PolarHBondContact NZ-OD2 2.89Å
357	C	98	Very high	97.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-76	-15.5	-180	-74.9	0	0	0	0	115.4	L326 L353 M354 R384 T389 I392	L326-C357 HydrophobicContact CD2-CB 3.66Å; L353-C357 PolarHBondContact O-N 3.38Å; L353-C357 PolarHBondContact O-SG 3.42Å; L353-C357 VanDerWaalsContact O-SG 3.42Å; M354-C357 PolarHBondContact O-N 2.96Å; M354-C357 VanDerWaalsContact O-N 3.14Å; C357-R384 WeakPolarHBondContact O-CB 3.15Å; C357-R384 WeakPolarHBondContact O-CG 3.36Å; C357-R384 PolarHBondContact O-N 3.04Å; C357-T389 HydrophobicContact CB-CG2 3.97Å; C357-I392 VanDerWaalsContact SG-CD1 3.59Å
358	F	97.8	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.7	-176.8	-70.7	-104.4	0	0	0	111.1	L326 L329 F335 M354 I361 C380 Y382 K383	L326-F358 HydrophobicContact CD2-CE2 3.69Å; L326-F358 HydrophobicContact CD2-CZ 4.31Å; L329-F358 HydrophobicContact CD1-CE1 4.22Å; L329-F358 HydrophobicContact CD1-CZ 3.84Å; F335-F358 HydrophobicContact CB-CE1 4.31Å; F335-F358 HydrophobicContact CB-CZ 4.03Å; M354-F358 HydrophobicContact CE-CD2 4.33Å; M354-F358 HydrophobicContact CE-CE2 3.5Å; M354-F358 HydrophobicContact CE-CZ 4.19Å; M354-F358 VanDerWaalsContact O-CD2 3.28Å; M354-F358 WeakPolarHBondContact O-CD2 3.48Å; M354-F358 PolarHBondContact O-N 3.22Å; M354-F358 VanDerWaalsContact O-N 3.15Å; M354-F358 HydrophobicContact SD-CE2 4.39Å; F358-I361 HydrophobicContact CB-CG2 4.46Å; F358-C380 HydrophobicContact CB-CB 4.12Å; F358-C380 HydrophobicContact CD1-CB 3.38Å; F358-C380 HydrophobicContact CD2-CB 3.65Å; F358-C380 HydrophobicContact CE1-CB 3.53Å; F358-C380 HydrophobicContact CE2-CB 3.8Å; F358-C380 HydrophobicContact CG-CB 3.45Å; F358-C380 VanDerWaalsContact CG-CB 3.45Å; F358-C380 HydrophobicContact CZ-CB 3.74Å; F358-Y382 WeakPolarHBondContact CA-O 3.48Å; F358-K383 VanDerWaalsContact CD1-CA 3.44Å; F358-K383 HydrophobicContact CD1-CB 3.92Å; F358-K383 VanDerWaalsContact CD1-N 3.26Å; F358-K383 HydrophobicContact CE1-CB 3.57Å; F358-K383 HydrophobicContact CE1-CG 4.19Å; F358-K383 HydrophobicContact CE2-CG 4.43Å; F358-K383 HydrophobicContact CZ-CB 3.98Å; F358-K383 HydrophobicContact CZ-CG 4.09Å
359	Q	96.3	Very high	97.5	Very high	66 Å²	66	9.2 Å²	9.2	31%	0.308	5%	0.045	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-29.7	176.8	-62	179.1	15.2	0	0	112.3	N98 K381 Y382	N98-Q359 PolarHBondContact N-O 3.45Å; Q359-K381 PolarHBondContact N-O 3.36Å; Q359-Y382 HydrophobicContact CB-CD2 4.34Å; Q359-Y382 PolarHBondContact N-O 2.95Å
360	Q	96.8	Very high	97.2	Very high	20 Å²	20	10.5 Å²	10.5	9%	0.093	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	150.3	176.7	64.6	-168.7	-51.4	0	0	111.3	W95 L96 K381	W95-Q360 HydrophobicContact CD2-CG 4.37Å; W95-Q360 HydrophobicContact CE3-CB 4.14Å; W95-Q360 HydrophobicContact CE3-CG 3.66Å; W95-Q360 HydrophobicContact CZ3-CG 4.01Å; L96-Q360 CarbonylContact O-C 3.56Å; L96-Q360 WeakPolarHBondContact O-CA 3.28Å; L96-Q360 WeakPolarHBondContact O-CB 3.13Å; Q360-K381 HydrophobicContact CG-CB 3.69Å; Q360-K381 HydrophobicContact CG-CD 4.22Å; Q360-K381 HydrophobicContact CG-CG 4.21Å; Q360-K381 PolarHBondContact N-O 3.27Å; Q360-K381 PolarHBondContact O-N 3.06Å
361	I	98.5	Very high	96.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	160.3	173.6	67.3	160.8	0	0	0	110.9	W95 L96 V351 Y355 F358 L378 V379 C380 F429	W95-I361 WeakPolarHBondContact CA-O 3.41Å; L96-I361 HydrophobicContact CB-CG1 4.16Å; L96-I361 HydrophobicContact CD2-CG1 4.41Å; L96-I361 PolarHBondContact N-O 3Å; L96-I361 PolarHBondContact O-N 3.2Å; V351-I361 HydrophobicContact CG1-CD1 3.72Å; Y355-I361 HydrophobicContact CD2-CD1 4.34Å; Y355-I361 HydrophobicContact CD2-CG1 3.99Å; Y355-I361 HydrophobicContact CG-CD1 4.41Å; F358-I361 HydrophobicContact CB-CG2 4.46Å; I361-L378 HydrophobicContact CB-CD1 4.17Å; I361-L378 HydrophobicContact CD1-CD1 4.02Å; I361-V379 CarbonylContact C-O 3.14Å; I361-V379 WeakPolarHBondContact CA-O 3.37Å; I361-C380 HydrophobicContact CG2-CB 4.18Å; I361-F429 HydrophobicContact CD1-CE2 4.37Å
362	A	98.7	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.9	167.8	0	0	0	0	0	110.4	V93 W95 I364 V379 Y432	V93-A362 HydrophobicContact CG1-CB 3.74Å; W95-A362 HydrophobicContact CD2-CB 4.04Å; W95-A362 HydrophobicContact CE3-CB 3.75Å; W95-A362 HydrophobicContact CH2-CB 4.49Å; W95-A362 HydrophobicContact CZ3-CB 3.99Å; A362-I364 HydrophobicContact CB-CG2 4.08Å; A362-V379 HydrophobicContact CB-CB 4.5Å; A362-V379 PolarHBondContact N-O 2.97Å; A362-V379 PolarHBondContact O-N 2.78Å; A362-Y432 VanDerWaalsContact CA-OH 3.26Å; A362-Y432 WeakPolarHBondContact CA-OH 3.09Å
363	I	98.7	Very high	96.1	Very high	11 Å²	11	13.4 Å²	13.4	6%	0.056	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.5	166.6	-62.2	167.4	0	0	0	106.9	L342 V351 R376 Y377 L378 Y432 I433 S436 I440	L342-I363 HydrophobicContact CD1-CD1 3.68Å; L342-I363 HydrophobicContact CD1-CG1 4.24Å; L342-I363 HydrophobicContact CD1-CG2 4.31Å; V351-I363 HydrophobicContact CG1-CD1 4.45Å; I363-R376 HydrophobicContact CG2-CG 4.32Å; I363-Y377 WeakPolarHBondContact CA-O 3.35Å; I363-L378 HydrophobicContact CG1-CD1 4.26Å; I363-Y432 HydrophobicContact CB-CE1 4.39Å; I363-Y432 HydrophobicContact CD1-CE1 3.93Å; I363-Y432 HydrophobicContact CG1-CE1 4.08Å; I363-Y432 PolarHBondContact N-OH 2.95Å; I363-I433 HydrophobicContact CD1-CD1 3.56Å; I363-S436 WeakPolarHBondContact CG2-OG 3.27Å; I363-I440 HydrophobicContact CG2-CD1 4.03Å
364	I	98.1	Very high	95.8	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	-174.9	63.8	172.6	0	0	0	111.5	V93 I183 M186 A362 R376 Y377 V379	V93-I364 HydrophobicContact CB-CG2 4.5Å; V93-I364 HydrophobicContact CG1-CG2 3.94Å; V93-I364 HydrophobicContact CG2-CG2 4.26Å; I183-I364 HydrophobicContact CB-CD1 4.41Å; I183-I364 HydrophobicContact CG1-CD1 4.11Å; I183-I364 HydrophobicContact CG2-CD1 3.9Å; M186-I364 HydrophobicContact CE-CB 3.81Å; M186-I364 HydrophobicContact CE-CD1 3.99Å; M186-I364 HydrophobicContact CE-CG1 4.41Å; M186-I364 HydrophobicContact CE-CG2 4.1Å; M186-I364 HydrophobicContact SD-CD1 4.39Å; A362-I364 HydrophobicContact CB-CG2 4.08Å; I364-R376 CarbonylContact O-C 3.55Å; I364-R376 WeakPolarHBondContact O-CB 3.3Å; I364-Y377 PolarHBondContact N-O 3.36Å; I364-Y377 PolarHBondContact O-N 3.23Å; I364-V379 HydrophobicContact CD1-CG2 3.59Å; I364-V379 HydrophobicContact CG1-CG2 3.94Å
365	K	97.2	Very high	95.6	Very high	36 Å²	36	13.6 Å²	13.6	16%	0.157	7%	0.071	C	C	.	.			trans	-121.5	102	168.7	-172.3	176.6	179.8	80.7	0	108.7	R370 N373 E375 R376 I440	K365-R370 WeakPolarHBondContact CE-O 3.24Å; K365-R370 PolarHBondContact NZ-O 3.19Å; K365-N373 PolarHBondContact NZ-O 3.17Å; K365-N373 PolarHBondContact NZ-OD1 2.91Å; K365-E375 PolarHBondContact NZ-O 3.37Å; K365-R376 HydrophobicContact CB-CB 4.48Å; K365-I440 HydrophobicContact CB-CD1 4.44Å; K365-I440 HydrophobicContact CD-CG2 3.94Å
366	P	97.2	Very high	95.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	7%	0.07	C	C	.	.			trans	-67	145.7	-179.9	28.3	-34.4	0	0	0	110.7	N182 I183 M186 S368 S369 Y377	N182-P366 HydrophobicContact CB-CB 4.11Å; N182-P366 VanDerWaalsContact OD1-CB 3.26Å; N182-P366 WeakPolarHBondContact OD1-CB 3.26Å; I183-P366 HydrophobicContact CD1-CG 4.19Å; I183-P366 HydrophobicContact CG1-CB 4.02Å; I183-P366 HydrophobicContact CG1-CG 3.85Å; M186-P366 HydrophobicContact SD-CB 3.93Å; P366-S368 PolarHBondContact O-N 2.74Å; P366-S368 VanDerWaalsContact O-N 3.16Å; P366-S369 WeakPolarHBondContact O-CA 3.43Å; P366-S369 VanDerWaalsContact O-CB 3.24Å; P366-S369 WeakPolarHBondContact O-CB 3.28Å; P366-S369 PolarHBondContact O-N 3.16Å; P366-Y377 HydrophobicContact CG-CD2 3.84Å; P366-Y377 HydrophobicContact CG-CE2 3.83Å
367	N	96.3	Very high	95.7	Very high	24 Å²	24	13.2 Å²	13.2	13%	0.128	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.6	179.2	-82.3	-31.2	0	0	0	113.9	E88 E91 F164 N182 S369	E88-N367 PolarHBondContact O-ND2 2.97Å; E91-N367 VanDerWaalsContact CD-CG 3.4Å; E91-N367 HydrophobicContact CG-CB 4.33Å; E91-N367 WeakPolarHBondContact CG-ND2 3.14Å; E91-N367 WeakPolarHBondContact OE1-CB 3.18Å; E91-N367 PolarHBondContact OE1-N 2.82Å; E91-N367 PolarHBondContact OE1-ND2 2.86Å; E91-N367 VanDerWaalsContact OE1-ND2 3.14Å; E91-N367 PolarHBondContact OE2-ND2 3.16Å; F164-N367 WeakPolarHBondContact CB-O 3.38Å; F164-N367 HydrophobicContact CD1-CB 3.73Å; F164-N367 HydrophobicContact CD2-CB 4.24Å; F164-N367 WeakPolarHBondContact CD2-O 3.45Å; F164-N367 HydrophobicContact CE1-CB 3.43Å; F164-N367 VanDerWaalsContact CE1-CB 3.43Å; F164-N367 HydrophobicContact CE2-CB 3.97Å; F164-N367 HydrophobicContact CG-CB 4.14Å; F164-N367 VanDerWaalsContact CG-O 3.23Å; F164-N367 WeakPolarHBondContact CG-O 3.49Å; F164-N367 HydrophobicContact CZ-CB 3.56Å; F164-N367 WeakPolarHBondContact CZ-OD1 3.49Å; N182-N367 PolarHBondContact OD1-N 3.44Å; N367-S369 VanDerWaalsContact C-N 3.27Å
368	S	95	Very high	95.7	Very high	9 Å²	9	13.2 Å²	13.2	6%	0.063	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19	172	51.3	0	0	0	0	113.7	K179 N182 P366	K179-S368 VanDerWaalsContact CA-OG 3.3Å; K179-S368 WeakPolarHBondContact CA-OG 3.47Å; N182-S368 VanDerWaalsContact CB-OG 3.25Å; N182-S368 WeakPolarHBondContact CB-OG 3.34Å; N182-S368 WeakPolarHBondContact OD1-CB 3.05Å; N182-S368 PolarHBondContact OD1-N 3.21Å; N182-S368 PolarHBondContact OD1-OG 2.9Å; P366-S368 PolarHBondContact O-N 2.74Å; P366-S368 VanDerWaalsContact O-N 3.16Å
369	S	94.3	Very high	95.8	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.021	7%	0.069	C	C	.	.	S	Bend	trans	-79.3	143.7	164.7	-175.1	0	0	0	0	109.9	P366 N367 N373 E375	P366-S369 WeakPolarHBondContact O-CA 3.43Å; P366-S369 VanDerWaalsContact O-CB 3.24Å; P366-S369 WeakPolarHBondContact O-CB 3.28Å; P366-S369 PolarHBondContact O-N 3.16Å; N367-S369 VanDerWaalsContact C-N 3.27Å; S369-N373 PolarHBondContact OG-OD1 2.84Å; S369-E375 VanDerWaalsContact CB-OE1 3.28Å; S369-E375 WeakPolarHBondContact CB-OE1 3.49Å; S369-E375 PolarHBondContact OG-OE1 3Å
370	R	91.7	Very high	95.9	Very high	28 Å²	28	10.1 Å²	10.1	11%	0.106	6%	0.055	C	C	.	.			trans	-70.5	133.8	-174.2	-66.7	176.4	179.7	152.8	5.4	109.7	E8 K365 A372 N373	E8-R370 PolarHBondContact O-NH2 3.04Å; K365-R370 WeakPolarHBondContact CE-O 3.24Å; K365-R370 PolarHBondContact NZ-O 3.19Å; R370-A372 VanDerWaalsContact C-N 3.26Å; R370-A372 PolarHBondContact O-N 3.47Å; R370-N373 VanDerWaalsContact O-CG 3.3Å; R370-N373 PolarHBondContact O-N 3.15Å; R370-N373 PolarHBondContact O-OD1 3.02Å
371	P	91.1	Very high	95.9	Very high	36 Å²	36	11 Å²	11	23%	0.234	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.8	-174.9	21.3	-32.6	0	0	0	113.4	Q444	P371-Q444 WeakPolarHBondContact O-CA 3.36Å
372	A	90.5	Very high	95.9	Very high	15 Å²	15	11.9 Å²	11.9	12%	0.124	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.7	-175.8	0	0	0	0	0	115.1	R370 Q444 L448 I451	R370-A372 VanDerWaalsContact C-N 3.26Å; R370-A372 PolarHBondContact O-N 3.47Å; A372-Q444 WeakPolarHBondContact O-CG 3.43Å; A372-Q444 PolarHBondContact O-NE2 3.02Å; A372-Q444 VanDerWaalsContact O-NE2 3.12Å; A372-L448 HydrophobicContact CB-CD2 3.85Å; A372-L448 HydrophobicContact CB-CG 4.08Å; A372-I451 HydrophobicContact CB-CD1 3.34Å
373	N	90.5	Very high	95.8	Very high	19 Å²	19	11.9 Å²	11.9	10%	0.102	6%	0.062	C	C	.	.	S	Bend	trans	-84.9	161.8	179.6	74.1	9.8	0	0	0	111.8	E8 K365 S369 R370 E375 Q444	E8-N373 WeakPolarHBondContact OE1-CB 3.44Å; E8-N373 PolarHBondContact OE1-ND2 2.95Å; E8-N373 PolarHBondContact OE2-ND2 2.83Å; K365-N373 PolarHBondContact NZ-O 3.17Å; K365-N373 PolarHBondContact NZ-OD1 2.91Å; S369-N373 PolarHBondContact OG-OD1 2.84Å; R370-N373 VanDerWaalsContact O-CG 3.3Å; R370-N373 PolarHBondContact O-N 3.15Å; R370-N373 PolarHBondContact O-OD1 3.02Å; N373-E375 PolarHBondContact O-N 2.92Å; N373-E375 WeakPolarHBondContact OD1-CB 3.28Å; N373-E375 PolarHBondContact OD1-N 3.12Å; N373-Q444 PolarHBondContact O-NE2 2.95Å
374	S	92.6	Very high	95.7	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.028	6%	0.063	C	C	.	.	S	Bend	trans	-78.5	-8	177.6	-75.7	0	0	0	0	113.3	K143 F340 D341 R376 Q444	K143-S374 PolarHBondContact NZ-OG 3.32Å; F340-S374 WeakPolarHBondContact CA-O 3.45Å; D341-S374 VanDerWaalsContact CG-CB 3.43Å; D341-S374 PolarHBondContact N-O 3.27Å; D341-S374 WeakPolarHBondContact OD1-CB 3.28Å; D341-S374 PolarHBondContact OD1-OG 3.18Å; D341-S374 VanDerWaalsContact OD2-CB 3.3Å; D341-S374 WeakPolarHBondContact OD2-CB 3.5Å; D341-S374 PolarHBondContact OD2-OG 3.19Å; S374-R376 PolarHBondContact O-N 2.99Å; S374-R376 PolarHBondContact O-NH1 3.11Å; S374-Q444 PolarHBondContact OG-NE2 2.97Å; S374-Q444 VanDerWaalsContact OG-NE2 3.15Å
375	E	94.3	Very high	95.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.4	179.9	-172.3	-174.4	70.2	0	0	111.6	K179 K338 F340 K365 S369 N373 Y377	K179-E375 WeakPolarHBondContact CE-OE1 3.34Å; K179-E375 IonicContact NZ-OE1 2.58Å; K179-E375 PolarHBondContact NZ-OE1 3Å; K179-E375 IonicContact NZ-OE2 3.61Å; K179-E375 PolarHBondContact NZ-OE2 3.25Å; K338-E375 HydrophobicContact CD-CG 3.64Å; K338-E375 WeakPolarHBondContact CD-OE2 3.29Å; K338-E375 HydrophobicContact CG-CG 3.8Å; K338-E375 IonicContact NZ-OE2 3.82Å; F340-E375 HydrophobicContact CD1-CB 4.08Å; F340-E375 HydrophobicContact CE1-CB 3.83Å; F340-E375 HydrophobicContact CE1-CG 4.22Å; K365-E375 PolarHBondContact NZ-O 3.37Å; S369-E375 VanDerWaalsContact CB-OE1 3.28Å; S369-E375 WeakPolarHBondContact CB-OE1 3.49Å; S369-E375 PolarHBondContact OG-OE1 3Å; N373-E375 PolarHBondContact O-N 2.92Å; N373-E375 WeakPolarHBondContact OD1-CB 3.28Å; N373-E375 PolarHBondContact OD1-N 3.12Å; E375-Y377 HydrophobicContact CG-CE2 4.12Å; E375-Y377 PolarHBondContact OE2-OH 3.17Å
376	R	97.3	Very high	95.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	177.4	169.1	55.7	-175.9	134.1	-93.5	32.9	108.5	V339 D341 I363 I364 K365 S374 I440	V339-R376 HydrophobicContact CG2-CG 3.77Å; V339-R376 PolarHBondContact N-O 3.39Å; V339-R376 PolarHBondContact O-N 3.26Å; D341-R376 VanDerWaalsContact C-NH2 3.31Å; D341-R376 PolarHBondContact O-NE 3.26Å; D341-R376 PolarHBondContact O-NH2 3.44Å; D341-R376 IonicContact OD1-NH2 3.72Å; I363-R376 HydrophobicContact CG2-CG 4.32Å; I364-R376 CarbonylContact O-C 3.55Å; I364-R376 WeakPolarHBondContact O-CB 3.3Å; K365-R376 HydrophobicContact CB-CB 4.48Å; S374-R376 PolarHBondContact O-N 2.99Å; S374-R376 PolarHBondContact O-NH1 3.11Å; R376-I440 HydrophobicContact CB-CD1 4.48Å
377	Y	98.6	Very high	95.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.6	-173.7	-68.1	-92.1	0	0	0	110.6	K179 I183 F221 D298 V336 C337 K338 I363 I364 P366 E375	K179-Y377 VanDerWaalsContact CD-OH 3.23Å; K179-Y377 WeakPolarHBondContact CD-OH 3.49Å; I183-Y377 HydrophobicContact CD1-CD1 3.69Å; I183-Y377 HydrophobicContact CD1-CD2 3.76Å; I183-Y377 HydrophobicContact CD1-CE1 3.89Å; I183-Y377 HydrophobicContact CD1-CE2 3.95Å; I183-Y377 HydrophobicContact CD1-CG 3.62Å; F221-Y377 HydrophobicContact CE2-CE1 4.42Å; F221-Y377 AromaticContact CZ-CE1 3.87Å; F221-Y377 HydrophobicContact CZ-CE1 3.87Å; D298-Y377 PolarHBondContact OD1-OH 3.23Å; V336-Y377 HydrophobicContact CG2-CD1 3.88Å; V336-Y377 HydrophobicContact CG2-CG 4.4Å; C337-Y377 CarbonylContact O-C 3.41Å; C337-Y377 VanDerWaalsContact O-CA 3.29Å; C337-Y377 WeakPolarHBondContact O-CA 3.26Å; K338-Y377 HydrophobicContact CB-CD1 4.13Å; K338-Y377 HydrophobicContact CB-CE1 3.68Å; K338-Y377 HydrophobicContact CG-CE1 4.34Å; I363-Y377 WeakPolarHBondContact CA-O 3.35Å; I364-Y377 PolarHBondContact N-O 3.36Å; I364-Y377 PolarHBondContact O-N 3.23Å; P366-Y377 HydrophobicContact CG-CD2 3.84Å; P366-Y377 HydrophobicContact CG-CE2 3.83Å; E375-Y377 HydrophobicContact CG-CE2 4.12Å; E375-Y377 PolarHBondContact OE2-OH 3.17Å
378	L	98.8	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.6	163.1	177.6	66.1	0	0	0	107.8	F322 V336 C337 V351 M354 I361 I363	F322-L378 HydrophobicContact CE1-CD2 4.19Å; F322-L378 HydrophobicContact CE2-CD2 3.78Å; F322-L378 HydrophobicContact CZ-CD2 3.51Å; V336-L378 CarbonylContact C-O 3.38Å; V336-L378 WeakPolarHBondContact CA-O 3.32Å; C337-L378 PolarHBondContact N-O 2.91Å; C337-L378 PolarHBondContact O-N 2.99Å; V351-L378 HydrophobicContact CG1-CD1 4.04Å; V351-L378 HydrophobicContact CG2-CD2 4.28Å; M354-L378 HydrophobicContact CB-CD2 4.1Å; M354-L378 HydrophobicContact CG-CD2 4.17Å; I361-L378 HydrophobicContact CB-CD1 4.17Å; I361-L378 HydrophobicContact CD1-CD1 4.02Å; I363-L378 HydrophobicContact CG1-CD1 4.26Å
379	V	98.9	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.6	172.8	-179.9	0	0	0	0	108.3	W95 I183 M190 F191 F335 V336 I361 A362 I364	W95-V379 HydrophobicContact CH2-CB 4.33Å; W95-V379 HydrophobicContact CH2-CG1 3.52Å; W95-V379 HydrophobicContact CZ3-CG1 4.01Å; I183-V379 HydrophobicContact CG2-CG2 4.34Å; M190-V379 HydrophobicContact SD-CG1 4.43Å; F191-V379 HydrophobicContact CZ-CG1 3.95Å; F335-V379 CarbonylContact O-C 3.52Å; F335-V379 WeakPolarHBondContact O-CA 3.49Å; V336-V379 HydrophobicContact CB-CG2 4.45Å; V336-V379 HydrophobicContact CG2-CG2 4.06Å; I361-V379 CarbonylContact C-O 3.14Å; I361-V379 WeakPolarHBondContact CA-O 3.37Å; A362-V379 HydrophobicContact CB-CB 4.5Å; A362-V379 PolarHBondContact N-O 2.97Å; A362-V379 PolarHBondContact O-N 2.78Å; I364-V379 HydrophobicContact CD1-CG2 3.59Å; I364-V379 HydrophobicContact CG1-CG2 3.94Å
380	C	98.8	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.7	175.8	-47	0	0	0	0	109.9	S334 F335 F358 I361	S334-C380 CarbonylContact C-O 3.56Å; S334-C380 VanDerWaalsContact CA-O 3.29Å; S334-C380 WeakPolarHBondContact CA-O 3.3Å; S334-C380 WeakPolarHBondContact CB-O 3.08Å; F335-C380 HydrophobicContact CB-CB 4.14Å; F335-C380 PolarHBondContact N-O 3.48Å; F335-C380 PolarHBondContact O-N 3.37Å; F358-C380 HydrophobicContact CB-CB 4.12Å; F358-C380 HydrophobicContact CD1-CB 3.38Å; F358-C380 HydrophobicContact CD2-CB 3.65Å; F358-C380 HydrophobicContact CE1-CB 3.53Å; F358-C380 HydrophobicContact CE2-CB 3.8Å; F358-C380 HydrophobicContact CG-CB 3.45Å; F358-C380 VanDerWaalsContact CG-CB 3.45Å; F358-C380 HydrophobicContact CZ-CB 3.74Å; I361-C380 HydrophobicContact CG2-CB 4.18Å
381	K	97.8	Very high	96	Very high	40 Å²	40	20.8 Å²	20.8	17%	0.174	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.7	-174.9	-176.2	174.3	176	-164.8	0	110.9	W95 M190 Q359 Q360	W95-K381 HydrophobicContact CH2-CB 3.96Å; W95-K381 HydrophobicContact CH2-CD 3.88Å; W95-K381 HydrophobicContact CZ2-CD 4.22Å; W95-K381 HydrophobicContact CZ3-CB 3.76Å; W95-K381 HydrophobicContact CZ3-CD 4.25Å; M190-K381 HydrophobicContact CE-CB 3.79Å; M190-K381 HydrophobicContact CE-CD 3.62Å; M190-K381 HydrophobicContact CE-CG 3.51Å; M190-K381 HydrophobicContact SD-CD 3.79Å; M190-K381 HydrophobicContact SD-CG 4.35Å; Q359-K381 PolarHBondContact N-O 3.36Å; Q360-K381 HydrophobicContact CG-CB 3.69Å; Q360-K381 HydrophobicContact CG-CD 4.22Å; Q360-K381 HydrophobicContact CG-CG 4.21Å; Q360-K381 PolarHBondContact N-O 3.27Å; Q360-K381 PolarHBondContact O-N 3.06Å
382	Y	97	Very high	96.3	Very high	18 Å²	18	19.1 Å²	19.1	7%	0.071	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	75	-176.2	-48.4	-44.5	0	0	0	113.7	R195 D196 P197 N332 G333 F358 Q359 R384	R195-Y382 WeakPolarHBondContact O-CE1 3.44Å; R195-Y382 PolarHBondContact O-OH 2.96Å; D196-Y382 PolarHBondContact O-OH 2.57Å; P197-Y382 HydrophobicContact CB-CE2 4.19Å; P197-Y382 HydrophobicContact CG-CD1 4.25Å; P197-Y382 HydrophobicContact CG-CD2 3.88Å; P197-Y382 HydrophobicContact CG-CE1 4.24Å; P197-Y382 HydrophobicContact CG-CE2 3.85Å; P197-Y382 HydrophobicContact CG-CG 4.08Å; N332-Y382 HydrophobicContact CB-CD1 4.22Å; G333-Y382 CarbonylContact O-C 3.49Å; G333-Y382 WeakPolarHBondContact O-CA 3.38Å; G333-Y382 PolarHBondContact O-N 3.46Å; G333-Y382 VanDerWaalsContact O-N 3.1Å; F358-Y382 WeakPolarHBondContact CA-O 3.48Å; Q359-Y382 HydrophobicContact CB-CD2 4.34Å; Q359-Y382 PolarHBondContact N-O 2.95Å; Y382-R384 PolarHBondContact O-N 3.47Å
383	K	97.2	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	135.9	170.9	-169.9	-168.9	167.1	-76.6	0	109.7	L326 L329 N332 G333 F358 D386 T389	L326-K383 HydrophobicContact CD2-CG 4.49Å; L326-K383 WeakPolarHBondContact O-CE 3.35Å; L329-K383 HydrophobicContact CB-CD 3.53Å; L329-K383 HydrophobicContact CD1-CD 4.47Å; N332-K383 PolarHBondContact N-O 3.04Å; G333-K383 PolarHBondContact O-N 3.33Å; F358-K383 VanDerWaalsContact CD1-CA 3.44Å; F358-K383 HydrophobicContact CD1-CB 3.92Å; F358-K383 VanDerWaalsContact CD1-N 3.26Å; F358-K383 HydrophobicContact CE1-CB 3.57Å; F358-K383 HydrophobicContact CE1-CG 4.19Å; F358-K383 HydrophobicContact CE2-CG 4.43Å; F358-K383 HydrophobicContact CZ-CB 3.98Å; F358-K383 HydrophobicContact CZ-CG 4.09Å; K383-D386 IonicContact NZ-OD1 2.75Å; K383-D386 PolarHBondContact NZ-OD1 2.84Å; K383-T389 PolarHBondContact NZ-OG1 3.5Å; K383-T389 VanDerWaalsContact NZ-OG1 3.13Å
384	R	96	Very high	97.1	Very high	19 Å²	19	20.8 Å²	20.8	7%	0.072	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-68.6	170.3	170.7	-65.1	-176.5	-173.7	-78.5	-0.1	111.5	N98 R102 K356 C357 Y382 E388 T389	N98-R384 PolarHBondContact O-NH2 3.17Å; R102-R384 VanDerWaalsContact CD-NH1 3.28Å; K356-R384 WeakPolarHBondContact O-CD 3.21Å; K356-R384 PolarHBondContact O-NE 2.82Å; K356-R384 VanDerWaalsContact O-NE 3.16Å; C357-R384 WeakPolarHBondContact O-CB 3.15Å; C357-R384 WeakPolarHBondContact O-CG 3.36Å; C357-R384 PolarHBondContact O-N 3.04Å; Y382-R384 PolarHBondContact O-N 3.47Å; R384-E388 HydrophobicContact CB-CB 3.99Å; R384-T389 HydrophobicContact CB-CG2 4.06Å
385	S	96.1	Very high	97.3	Very high	40 Å²	40	20.6 Å²	20.6	28%	0.28	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-60.2	155.6	-178.9	66.5	0	0	0	0	112.1	A387 E388 T389	S385-A387 PolarHBondContact O-N 2.72Å; S385-E388 WeakPolarHBondContact CB-OE2 3.17Å; S385-E388 PolarHBondContact N-OE2 3.32Å; S385-E388 PolarHBondContact O-N 2.94Å; S385-E388 VanDerWaalsContact O-N 3.11Å; S385-E388 WeakPolarHBondContact OG-CB 3.5Å; S385-E388 VanDerWaalsContact OG-CG 3.27Å; S385-E388 WeakPolarHBondContact OG-CG 3.49Å; S385-E388 PolarHBondContact OG-N 3.06Å; S385-E388 PolarHBondContact OG-OE2 2.75Å; S385-T389 PolarHBondContact O-N 2.73Å; S385-T389 PolarHBondContact O-OG1 2.69Å
386	D	96.2	Very high	97.6	Very high	54 Å²	54	20.6 Å²	20.6	29%	0.289	14%	0.137	S	C	.	.	H	α-helix	trans	-57.5	-36.8	177.9	-72.8	0.4	0	0	0	111.3	R285 K383 T389 A390	R285-D386 IonicContact CZ-OD2 3.92Å; R285-D386 IonicContact NH1-OD2 2.78Å; R285-D386 PolarHBondContact NH1-OD2 2.87Å; R285-D386 IonicContact NH2-OD2 2.98Å; R285-D386 PolarHBondContact NH2-OD2 3.18Å; K383-D386 IonicContact NZ-OD1 2.75Å; K383-D386 PolarHBondContact NZ-OD1 2.84Å; D386-T389 PolarHBondContact O-N 3.48Å; D386-T389 PolarHBondContact O-OG1 3.3Å; D386-A390 PolarHBondContact O-N 3.3Å; D386-A390 VanDerWaalsContact O-N 3.09Å
387	A	96	Very high	97.6	Very high	84 Å²	84	21.4 Å²	21.4	69%	0.694	14%	0.141	S	C	*	.	H	α-helix	trans	-62.8	-45.9	174.7	0	0	0	0	0	112.6	S385 T389 A390	S385-A387 PolarHBondContact O-N 2.72Å; A387-T389 VanDerWaalsContact C-N 3.3Å; A387-T389 PolarHBondContact O-N 2.61Å; A387-A390 PolarHBondContact O-N 3.36Å
388	E	96.1	Very high	97.6	Very high	38 Å²	38	23.5 Å²	23.5	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-34.7	177.2	-75.1	165.9	112.4	0	0	111.8	R102 A103 D104 R384 S385	R102-E388 IonicContact NH1-OE1 2.6Å; R102-E388 PolarHBondContact NH1-OE1 2.91Å; A103-E388 CarbonylContact C-O 3.6Å; A103-E388 WeakPolarHBondContact CB-O 3.33Å; D104-E388 HydrophobicContact CB-CB 4.42Å; D104-E388 HydrophobicContact CB-CG 4.3Å; D104-E388 PolarHBondContact N-O 2.85Å; R384-E388 HydrophobicContact CB-CB 3.99Å; S385-E388 WeakPolarHBondContact CB-OE2 3.17Å; S385-E388 PolarHBondContact N-OE2 3.32Å; S385-E388 PolarHBondContact O-N 2.94Å; S385-E388 VanDerWaalsContact O-N 3.11Å; S385-E388 WeakPolarHBondContact OG-CB 3.5Å; S385-E388 VanDerWaalsContact OG-CG 3.27Å; S385-E388 WeakPolarHBondContact OG-CG 3.49Å; S385-E388 PolarHBondContact OG-N 3.06Å; S385-E388 PolarHBondContact OG-OE2 2.75Å
389	T	97.3	Very high	97.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-89.3	-5	-176.4	58.1	0	0	0	0	114.5	A103 C357 K383 R384 S385 D386 A387 G391 I392 V393	A103-T389 HydrophobicContact CB-CG2 4.4Å; C357-T389 HydrophobicContact CB-CG2 3.97Å; K383-T389 PolarHBondContact NZ-OG1 3.5Å; K383-T389 VanDerWaalsContact NZ-OG1 3.13Å; R384-T389 HydrophobicContact CB-CG2 4.06Å; S385-T389 PolarHBondContact O-N 2.73Å; S385-T389 PolarHBondContact O-OG1 2.69Å; D386-T389 PolarHBondContact O-N 3.48Å; D386-T389 PolarHBondContact O-OG1 3.3Å; A387-T389 VanDerWaalsContact C-N 3.3Å; A387-T389 PolarHBondContact O-N 2.61Å; T389-G391 PolarHBondContact O-N 3.31Å; T389-I392 PolarHBondContact O-N 2.82Å; T389-V393 WeakPolarHBondContact O-CG2 3.29Å; T389-V393 PolarHBondContact O-N 2.84Å
390	A	97.1	Very high	97.4	Very high	52 Å²	52	23.5 Å²	23.5	43%	0.43	15%	0.154	S	C	.	.	H	α-helix	trans	-60.5	-42.6	-167.2	0	0	0	0	0	113.9	D386 A387 V393 A394	D386-A390 PolarHBondContact O-N 3.3Å; D386-A390 VanDerWaalsContact O-N 3.09Å; A387-A390 PolarHBondContact O-N 3.36Å; A390-V393 PolarHBondContact O-N 3.01Å; A390-A394 PolarHBondContact O-N 2.8Å
391	G	97.6	Very high	97.2	Very high	16 Å²	16	27.7 Å²	27.7	17%	0.165	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-43.9	179.5	0	0	0	0	0	112.7	T389 A394 Y395	T389-G391 PolarHBondContact O-N 3.31Å; G391-A394 PolarHBondContact O-N 2.68Å; G391-Y395 WeakPolarHBondContact O-CB 3.33Å; G391-Y395 PolarHBondContact O-N 2.89Å
392	I	98.2	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-40.8	176.3	-65.3	178	0	0	0	111.2	A103 L111 L326 L353 K356 C357 T389 Y395 L396	A103-I392 HydrophobicContact CB-CD1 3.72Å; L111-I392 HydrophobicContact CD1-CG1 3.91Å; L326-I392 HydrophobicContact CD1-CG2 4.31Å; L353-I392 HydrophobicContact CB-CG2 4.1Å; L353-I392 HydrophobicContact CD2-CD1 4.08Å; L353-I392 HydrophobicContact CD2-CG1 4.17Å; L353-I392 HydrophobicContact CD2-CG2 4.31Å; K356-I392 HydrophobicContact CB-CD1 4.03Å; C357-I392 VanDerWaalsContact SG-CD1 3.59Å; T389-I392 PolarHBondContact O-N 2.82Å; I392-Y395 PolarHBondContact O-N 2.71Å; I392-L396 HydrophobicContact CG2-CD1 4.04Å; I392-L396 HydrophobicContact CG2-CG 4.17Å; I392-L396 WeakPolarHBondContact O-CB 3.34Å; I392-L396 WeakPolarHBondContact O-CG 3.16Å; I392-L396 PolarHBondContact O-N 3.36Å
393	V	98.4	Very high	96.9	Very high	28 Å²	28	28.5 Å²	28.5	17%	0.17	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-47.1	176.7	169	0	0	0	0	111.1	L323 L326 K327 T389 A390 Y395 N397	L323-V393 HydrophobicContact CD1-CG1 3.94Å; L323-V393 WeakPolarHBondContact CD1-O 3.49Å; L326-V393 HydrophobicContact CB-CG2 3.7Å; L326-V393 HydrophobicContact CD1-CG2 4.12Å; K327-V393 HydrophobicContact CG-CG1 4.14Å; T389-V393 WeakPolarHBondContact O-CG2 3.29Å; T389-V393 PolarHBondContact O-N 2.84Å; A390-V393 PolarHBondContact O-N 3.01Å; V393-Y395 VanDerWaalsContact C-N 3.33Å; V393-Y395 PolarHBondContact O-N 3.42Å; V393-N397 WeakPolarHBondContact O-CB 3.4Å; V393-N397 PolarHBondContact O-N 3Å; V393-N397 VanDerWaalsContact O-N 3.08Å
394	A	98.3	Very high	96.6	Very high	41 Å²	41	31.1 Å²	31.1	34%	0.339	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-43.5	176.8	0	0	0	0	0	111.5	L108 A390 G391 N397 T398	L108-A394 HydrophobicContact CD2-CB 4.41Å; A390-A394 PolarHBondContact O-N 2.8Å; G391-A394 PolarHBondContact O-N 2.68Å; A394-N397 WeakPolarHBondContact O-CB 3.48Å; A394-N397 PolarHBondContact O-N 3.44Å; A394-T398 PolarHBondContact O-N 2.9Å; A394-T398 PolarHBondContact O-OG1 2.93Å
395	Y	98.6	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-51.6	178.7	172.4	-121.2	0	0	0	113.1	L108 L111 M112 L115 L353 G391 I392 V393 N397 T398 V399 I417	L108-Y395 VanDerWaalsContact CD1-CA 3.48Å; L108-Y395 HydrophobicContact CD1-CD2 4.28Å; L111-Y395 HydrophobicContact CB-CD1 3.74Å; L111-Y395 HydrophobicContact CB-CD2 3.63Å; L111-Y395 HydrophobicContact CB-CE1 3.98Å; L111-Y395 HydrophobicContact CB-CE2 3.93Å; L111-Y395 HydrophobicContact CB-CG 3.53Å; L111-Y395 HydrophobicContact CD1-CD1 3.73Å; L111-Y395 HydrophobicContact CD1-CG 3.8Å; L111-Y395 HydrophobicContact CD2-CD1 4.43Å; L111-Y395 HydrophobicContact CD2-CE1 4.47Å; L111-Y395 HydrophobicContact CG-CD1 4.18Å; L111-Y395 HydrophobicContact CG-CG 4.27Å; L111-Y395 WeakPolarHBondContact O-CE2 3.32Å; L111-Y395 PolarHBondContact O-OH 3.4Å; M112-Y395 HydrophobicContact CG-CD2 4.45Å; M112-Y395 HydrophobicContact SD-CD2 3.8Å; M112-Y395 HydrophobicContact SD-CE2 3.92Å; L115-Y395 HydrophobicContact CD1-CE2 3.89Å; L115-Y395 HydrophobicContact CD2-CE2 4.15Å; L115-Y395 WeakPolarHBondContact CD2-OH 3.46Å; L115-Y395 HydrophobicContact CG-CE2 3.84Å; L115-Y395 VanDerWaalsContact CG-OH 3.26Å; L115-Y395 WeakPolarHBondContact CG-OH 3.5Å; L353-Y395 HydrophobicContact CD1-CD1 4.11Å; L353-Y395 HydrophobicContact CD1-CE1 3.86Å; G391-Y395 WeakPolarHBondContact O-CB 3.33Å; G391-Y395 PolarHBondContact O-N 2.89Å; I392-Y395 PolarHBondContact O-N 2.71Å; V393-Y395 VanDerWaalsContact C-N 3.33Å; V393-Y395 PolarHBondContact O-N 3.42Å; Y395-N397 PolarHBondContact O-N 2.96Å; Y395-T398 WeakPolarHBondContact O-CB 3.22Å; Y395-T398 PolarHBondContact O-N 3.25Å; Y395-T398 VanDerWaalsContact O-N 3.1Å; Y395-V399 HydrophobicContact CD2-CG2 4.08Å; Y395-V399 HydrophobicContact CE1-CG2 4.47Å; Y395-V399 HydrophobicContact CE2-CG2 3.64Å; Y395-V399 WeakPolarHBondContact O-CG2 3.18Å; Y395-V399 PolarHBondContact O-N 2.69Å; Y395-I417 HydrophobicContact CE1-CD1 4.28Å; Y395-I417 HydrophobicContact CE1-CG1 3.64Å; Y395-I417 WeakPolarHBondContact CE1-O 3.42Å; Y395-I417 VanDerWaalsContact OH-C 3.3Å; Y395-I417 VanDerWaalsContact OH-CG1 3.28Å; Y395-I417 WeakPolarHBondContact OH-CG1 3.37Å; Y395-I417 PolarHBondContact OH-O 3.35Å
396	L	98.5	Very high	95	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-35.6	177.3	-69.6	-178	0	0	0	111.5	L319 L323 L326 L350 L353 I392 V399 N400 I417	L319-L396 HydrophobicContact CD1-CD2 4.41Å; L319-L396 HydrophobicContact CG-CD2 4.44Å; L323-L396 HydrophobicContact CB-CB 4.32Å; L323-L396 HydrophobicContact CD1-CB 4.02Å; L326-L396 HydrophobicContact CD1-CD1 3.96Å; L350-L396 HydrophobicContact CD2-CD2 3.61Å; L353-L396 HydrophobicContact CD1-CD2 3.78Å; I392-L396 HydrophobicContact CG2-CD1 4.04Å; I392-L396 HydrophobicContact CG2-CG 4.17Å; I392-L396 WeakPolarHBondContact O-CB 3.34Å; I392-L396 WeakPolarHBondContact O-CG 3.16Å; I392-L396 PolarHBondContact O-N 3.36Å; L396-V399 PolarHBondContact O-N 2.84Å; L396-N400 PolarHBondContact O-N 3.23Å; L396-I417 HydrophobicContact CD2-CD1 3.63Å
397	N	98.4	Very high	94	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-46.1	174.8	-167.9	77.4	0	0	0	112.1	E274 L323 K327 V393 A394 Y395 V399 N400 L401	E274-N397 WeakPolarHBondContact CG-OD1 3.37Å; E274-N397 VanDerWaalsContact OE1-CG 3.32Å; E274-N397 PolarHBondContact OE1-ND2 3.29Å; E274-N397 PolarHBondContact OE1-OD1 3.18Å; L323-N397 HydrophobicContact CD1-CB 4.41Å; L323-N397 HydrophobicContact CD2-CB 4.03Å; K327-N397 PolarHBondContact NZ-OD1 3.01Å; V393-N397 WeakPolarHBondContact O-CB 3.4Å; V393-N397 PolarHBondContact O-N 3Å; V393-N397 VanDerWaalsContact O-N 3.08Å; A394-N397 WeakPolarHBondContact O-CB 3.48Å; A394-N397 PolarHBondContact O-N 3.44Å; Y395-N397 PolarHBondContact O-N 2.96Å; N397-V399 VanDerWaalsContact C-N 3.34Å; N397-V399 PolarHBondContact O-N 3.32Å; N397-N400 WeakPolarHBondContact O-CB 2.94Å; N397-N400 PolarHBondContact O-N 2.67Å; N397-L401 WeakPolarHBondContact O-CG 3.24Å; N397-L401 PolarHBondContact O-N 3.22Å; N397-L401 VanDerWaalsContact O-N 3.1Å
398	T	97.7	Very high	92.7	Very high	43 Å²	43	42 Å²	42	26%	0.264	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-44.5	174.1	-59.4	0	0	0	0	111.8	M112 A394 Y395 N400 L401 M402	M112-T398 HydrophobicContact CE-CG2 3.94Å; M112-T398 HydrophobicContact SD-CG2 3.76Å; A394-T398 PolarHBondContact O-N 2.9Å; A394-T398 PolarHBondContact O-OG1 2.93Å; Y395-T398 WeakPolarHBondContact O-CB 3.22Å; Y395-T398 PolarHBondContact O-N 3.25Å; Y395-T398 VanDerWaalsContact O-N 3.1Å; T398-N400 VanDerWaalsContact C-N 3.33Å; T398-N400 PolarHBondContact O-N 2.65Å; T398-L401 PolarHBondContact O-N 3.36Å; T398-M402 WeakPolarHBondContact O-CG 3.28Å; T398-M402 PolarHBondContact O-N 3.37Å
399	V	97	Very high	91.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-36.5	177.7	178.8	0	0	0	0	111.6	L115 L319 F346 Y395 L396 N397 L401 M402 L403 V414 I417	L115-V399 HydrophobicContact CD1-CG2 4.16Å; L115-V399 HydrophobicContact CD2-CG2 3.79Å; L319-V399 HydrophobicContact CD1-CB 3.92Å; L319-V399 HydrophobicContact CD1-CG1 3.55Å; F346-V399 HydrophobicContact CE2-CG1 4.31Å; Y395-V399 HydrophobicContact CD2-CG2 4.08Å; Y395-V399 HydrophobicContact CE1-CG2 4.47Å; Y395-V399 HydrophobicContact CE2-CG2 3.64Å; Y395-V399 WeakPolarHBondContact O-CG2 3.18Å; Y395-V399 PolarHBondContact O-N 2.69Å; L396-V399 PolarHBondContact O-N 2.84Å; N397-V399 VanDerWaalsContact C-N 3.34Å; N397-V399 PolarHBondContact O-N 3.32Å; V399-L401 VanDerWaalsContact C-N 3.33Å; V399-L401 PolarHBondContact O-N 3.42Å; V399-M402 WeakPolarHBondContact O-CB 3.32Å; V399-M402 PolarHBondContact O-N 3.28Å; V399-L403 HydrophobicContact CG1-CD1 4.14Å; V399-L403 HydrophobicContact CG1-CG 4.41Å; V399-L403 WeakPolarHBondContact O-CG 3.48Å; V399-L403 PolarHBondContact O-N 2.92Å; V399-V414 HydrophobicContact CG1-CG1 4.33Å; V399-V414 HydrophobicContact CG1-CG2 4.39Å; V399-I417 HydrophobicContact CB-CD1 4.21Å; V399-I417 HydrophobicContact CG1-CD1 3.84Å; V399-I417 HydrophobicContact CG1-CG1 4.33Å; V399-I417 HydrophobicContact CG2-CD1 4.13Å; V399-I417 HydrophobicContact CG2-CG1 4.16Å
400	N	97.3	Very high	90.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-43	173.3	-176.4	39.7	0	0	0	112.2	F272 Q316 L319 C320 L396 N397 T398 M402 L403 S404	F272-N400 PolarHBondContact O-ND2 3.41Å; Q316-N400 PolarHBondContact NE2-OD1 2.85Å; Q316-N400 VanDerWaalsContact NE2-OD1 3.15Å; L319-N400 HydrophobicContact CD2-CB 3.57Å; C320-N400 VanDerWaalsContact SG-CG 3.5Å; C320-N400 PolarHBondContact SG-OD1 2.74Å; L396-N400 PolarHBondContact O-N 3.23Å; N397-N400 WeakPolarHBondContact O-CB 2.94Å; N397-N400 PolarHBondContact O-N 2.67Å; T398-N400 VanDerWaalsContact C-N 3.33Å; T398-N400 PolarHBondContact O-N 2.65Å; N400-M402 VanDerWaalsContact C-N 3.32Å; N400-L403 PolarHBondContact O-N 3.37Å; N400-S404 WeakPolarHBondContact O-CB 3.48Å; N400-S404 PolarHBondContact O-N 2.96Å; N400-S404 PolarHBondContact O-OG 3.37Å
401	L	95.3	Very high	89.2	Confident	88 Å²	88	53.3 Å²	53.3	46%	0.461	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-40.2	177.8	-65	173.5	0	0	0	111	N397 T398 V399 S404 D405	N397-L401 WeakPolarHBondContact O-CG 3.24Å; N397-L401 PolarHBondContact O-N 3.22Å; N397-L401 VanDerWaalsContact O-N 3.1Å; T398-L401 PolarHBondContact O-N 3.36Å; V399-L401 VanDerWaalsContact C-N 3.33Å; V399-L401 PolarHBondContact O-N 3.42Å; L401-S404 PolarHBondContact O-N 3.39Å; L401-D405 PolarHBondContact O-N 3.47Å
402	M	93.8	Very high	88.7	Confident	68 Å²	68	55.9 Å²	55.9	34%	0.335	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-44.6	173.6	-65.5	173.7	67.1	0	0	112.2	M112 L115 T117 T398 V399 N400 S404 D405 V414	M112-M402 HydrophobicContact CE-SD 4.4Å; L115-M402 HydrophobicContact CD1-CE 4.4Å; L115-M402 HydrophobicContact CD1-SD 4.04Å; T117-M402 HydrophobicContact CG2-CE 4.31Å; T398-M402 WeakPolarHBondContact O-CG 3.28Å; T398-M402 PolarHBondContact O-N 3.37Å; V399-M402 WeakPolarHBondContact O-CB 3.32Å; V399-M402 PolarHBondContact O-N 3.28Å; N400-M402 VanDerWaalsContact C-N 3.32Å; M402-S404 PolarHBondContact O-N 3.25Å; M402-D405 PolarHBondContact O-N 3.18Å; M402-V414 HydrophobicContact CE-CG2 4.26Å
403	L	93.5	Very high	88.4	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-72.1	-15.8	178.6	-69.7	174.7	0	0	0	113.7	Q316 L319 F346 V399 N400 V414	Q316-L403 HydrophobicContact CB-CD1 4.21Å; Q316-L403 HydrophobicContact CG-CB 4.21Å; Q316-L403 HydrophobicContact CG-CD1 4.26Å; L319-L403 HydrophobicContact CD1-CD1 4.22Å; F346-L403 HydrophobicContact CE2-CD1 4.23Å; F346-L403 HydrophobicContact CZ-CD1 3.86Å; V399-L403 HydrophobicContact CG1-CD1 4.14Å; V399-L403 HydrophobicContact CG1-CG 4.41Å; V399-L403 WeakPolarHBondContact O-CG 3.48Å; V399-L403 PolarHBondContact O-N 2.92Å; N400-L403 PolarHBondContact O-N 3.37Å; L403-V414 HydrophobicContact CD2-CB 4.1Å; L403-V414 HydrophobicContact CD2-CG2 3.97Å; L403-V414 HydrophobicContact CG-CG2 4.36Å
404	S	91.1	Very high	88.2	Confident	54 Å²	54	54.9 Å²	54.9	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-90.7	-11.5	177.3	-56.9	0	0	0	0	112.8	Q316 N400 L401 M402 E406	Q316-S404 PolarHBondContact NE2-OG 3.14Å; N400-S404 WeakPolarHBondContact O-CB 3.48Å; N400-S404 PolarHBondContact O-N 2.96Å; N400-S404 PolarHBondContact O-OG 3.37Å; L401-S404 PolarHBondContact O-N 3.39Å; M402-S404 PolarHBondContact O-N 3.25Å; S404-E406 PolarHBondContact O-N 3.1Å; S404-E406 VanDerWaalsContact O-N 3.14Å
405	D	85.1	Confident	88	Confident	79 Å²	79	54.6 Å²	54.6	42%	0.422	29%	0.289	S	S	.	.			trans	-80.3	90.5	174.6	-173.1	-3.9	0	0	0	110.4	L401 M402 S407 Q408	L401-D405 PolarHBondContact O-N 3.47Å; M402-D405 PolarHBondContact O-N 3.18Å; D405-S407 PolarHBondContact O-N 2.77Å; D405-S407 VanDerWaalsContact OD1-CB 3.29Å; D405-S407 WeakPolarHBondContact OD1-CB 3.17Å; D405-S407 PolarHBondContact OD1-N 3.04Å; D405-S407 PolarHBondContact OD1-OG 3.2Å; D405-S407 PolarHBondContact OD2-OG 3.22Å; D405-Q408 PolarHBondContact O-N 3.02Å
406	E	74.6	Confident	87.9	Confident	169 Å²	169	55.9 Å²	55.9	79%	0.79	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.4	179	-66.3	-175.6	174.3	0	0	113.7	S404 Q408 L409	S404-E406 PolarHBondContact O-N 3.1Å; S404-E406 VanDerWaalsContact O-N 3.14Å; E406-Q408 PolarHBondContact O-N 3.28Å; E406-Q408 VanDerWaalsContact O-N 3.16Å; E406-L409 HydrophobicContact CB-CD1 4.3Å; E406-L409 HydrophobicContact CG-CD1 4.08Å
407	S	74.8	Confident	87.8	Confident	85 Å²	85	55.9 Å²	55.9	59%	0.594	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.7	-13.2	-177.1	75.7	0	0	0	0	114.1	D405	D405-S407 PolarHBondContact O-N 2.77Å; D405-S407 VanDerWaalsContact OD1-CB 3.29Å; D405-S407 WeakPolarHBondContact OD1-CB 3.17Å; D405-S407 PolarHBondContact OD1-N 3.04Å; D405-S407 PolarHBondContact OD1-OG 3.2Å; D405-S407 PolarHBondContact OD2-OG 3.22Å
408	Q	67.4	Low	87.8	Confident	92 Å²	92	55.2 Å²	55.2	43%	0.43	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-124.9	-0.4	-174	-62.5	-62.2	-53.1	0	0	114.3	D405 E406 D410 E411 N412	D405-Q408 PolarHBondContact O-N 3.02Å; E406-Q408 PolarHBondContact O-N 3.28Å; E406-Q408 VanDerWaalsContact O-N 3.16Å; Q408-D410 PolarHBondContact O-N 3.48Å; Q408-E411 PolarHBondContact O-N 2.94Å; Q408-N412 HydrophobicContact CB-CB 4.39Å; Q408-N412 PolarHBondContact O-N 3.31Å
409	L	67.6	Low	87.6	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.225	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31	-163.5	-78.9	176.1	0	0	0	115.9	E406	E406-L409 HydrophobicContact CB-CD1 4.3Å; E406-L409 HydrophobicContact CG-CD1 4.08Å
410	D	73.7	Confident	87.5	Confident	118 Å²	118	56.6 Å²	56.6	63%	0.631	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-34.4	-175.5	-69.8	-24.8	0	0	0	111.9	Q408	Q408-D410 PolarHBondContact O-N 3.48Å
411	E	76.8	Confident	87.3	Confident	170 Å²	170	62.4 Å²	62.4	79%	0.794	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-24.7	-177.8	-66.3	-175.4	178.1	0	0	113.7	Q408	Q408-E411 PolarHBondContact O-N 2.94Å
412	N	86.6	Confident	87.2	Confident	70 Å²	70	60.7 Å²	60.7	37%	0.374	32%	0.32	S	S	.	.	S	Bend	trans	-139.1	54.5	-170.2	-165.6	35	0	0	0	112.5	T117 Q408	T117-N412 WeakPolarHBondContact CB-OD1 3.42Å; T117-N412 PolarHBondContact OG1-OD1 3.02Å; Q408-N412 HydrophobicContact CB-CB 4.39Å; Q408-N412 PolarHBondContact O-N 3.31Å
413	D	92.1	Very high	87.2	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	152	176	-167.9	22.7	0	0	0	111.9	T117 G118 K120 K315 L415	T117-D413 CarbonylContact C-O 3.52Å; T117-D413 WeakPolarHBondContact CA-O 3.39Å; T117-D413 WeakPolarHBondContact CB-O 3.25Å; G118-D413 PolarHBondContact N-O 3.07Å; G118-D413 WeakPolarHBondContact O-CB 3.23Å; G118-D413 PolarHBondContact O-N 3.13Å; K120-D413 HydrophobicContact CB-CB 3.97Å; K120-D413 HydrophobicContact CG-CB 4.45Å; K315-D413 WeakPolarHBondContact CE-OD1 3.16Å; K315-D413 IonicContact NZ-OD1 3.59Å; K315-D413 PolarHBondContact NZ-OD1 3.26Å; K315-D413 IonicContact NZ-OD2 3.92Å; K315-D413 PolarHBondContact NZ-OD2 2.91Å; D413-L415 PolarHBondContact O-N 3.28Å
414	V	94.3	Very high	87.2	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109.2	176.5	-174.3	0	0	0	0	110.1	L115 T117 K315 F346 V399 M402 L403	L115-V414 HydrophobicContact CD2-CG1 3.57Å; T117-V414 HydrophobicContact CG2-CG2 4.37Å; K315-V414 PolarHBondContact NZ-O 3.36Å; F346-V414 HydrophobicContact CD2-CB 4.34Å; F346-V414 HydrophobicContact CD2-CG1 3.94Å; F346-V414 WeakPolarHBondContact CD2-O 3.26Å; F346-V414 HydrophobicContact CE2-CB 4.06Å; F346-V414 HydrophobicContact CE2-CG1 3.78Å; V399-V414 HydrophobicContact CG1-CG1 4.33Å; V399-V414 HydrophobicContact CG1-CG2 4.39Å; M402-V414 HydrophobicContact CE-CG2 4.26Å; L403-V414 HydrophobicContact CD2-CB 4.1Å; L403-V414 HydrophobicContact CD2-CG2 3.97Å; L403-V414 HydrophobicContact CG-CG2 4.36Å
415	L	94.2	Very high	87.4	Confident	35 Å²	35	64.1 Å²	64.1	18%	0.183	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-36.8	-175.3	-59.4	-175.3	0	0	0	113	V116 K121 F346 D413	V116-L415 PolarHBondContact O-N 2.96Å; K121-L415 HydrophobicContact CG-CD2 4.08Å; F346-L415 WeakPolarHBondContact CB-O 3.5Å; F346-L415 PolarHBondContact N-O 2.97Å; D413-L415 PolarHBondContact O-N 3.28Å
416	E	96.3	Very high	87.8	Confident	27 Å²	27	61.7 Å²	61.7	13%	0.126	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.4	177	-42.2	-163.7	171.2	0	0	108.9	L115 V116 R129 P345	L115-E416 WeakPolarHBondContact CA-O 3.3Å; V116-E416 HydrophobicContact CB-CB 3.88Å; V116-E416 HydrophobicContact CB-CG 3.89Å; V116-E416 HydrophobicContact CG1-CG 4.48Å; V116-E416 HydrophobicContact CG2-CB 4.06Å; V116-E416 HydrophobicContact CG2-CG 4.19Å; V116-E416 PolarHBondContact N-O 3.42Å; V116-E416 PolarHBondContact O-N 2.71Å; R129-E416 IonicContact CZ-OE1 3.22Å; R129-E416 IonicContact NH1-OE1 2.73Å; R129-E416 PolarHBondContact NH1-OE1 3.12Å; R129-E416 IonicContact NH1-OE2 3Å; R129-E416 IonicContact NH2-OE1 2.94Å; R129-E416 PolarHBondContact NH2-OE1 3Å; P345-E416 HydrophobicContact CB-CB 4.24Å; P345-E416 HydrophobicContact CB-CG 3.76Å; P345-E416 HydrophobicContact CG-CG 4.27Å
417	I	96.9	Very high	88.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-100.6	-2.5	177.8	-156.8	172.9	0	0	0	112.1	L115 L319 F346 L350 L353 Y395 L396 V399	L115-I417 HydrophobicContact CD2-CG1 4.23Å; L319-I417 HydrophobicContact CD1-CD1 3.86Å; F346-I417 HydrophobicContact CD2-CB 4.11Å; F346-I417 HydrophobicContact CE2-CB 4.17Å; F346-I417 HydrophobicContact CE2-CD1 4.17Å; F346-I417 HydrophobicContact CZ-CD1 4.23Å; F346-I417 WeakPolarHBondContact O-CG2 3.3Å; L350-I417 HydrophobicContact CD2-CD1 3.73Å; L350-I417 HydrophobicContact CD2-CG2 4.49Å; L350-I417 HydrophobicContact CG-CD1 4.41Å; L350-I417 HydrophobicContact CG-CG2 4.27Å; L353-I417 HydrophobicContact CD1-CD1 4.44Å; L353-I417 HydrophobicContact CD1-CG1 4.43Å; L353-I417 HydrophobicContact CD1-CG2 4.27Å; Y395-I417 HydrophobicContact CE1-CD1 4.28Å; Y395-I417 HydrophobicContact CE1-CG1 3.64Å; Y395-I417 WeakPolarHBondContact CE1-O 3.42Å; Y395-I417 VanDerWaalsContact OH-C 3.3Å; Y395-I417 VanDerWaalsContact OH-CG1 3.28Å; Y395-I417 WeakPolarHBondContact OH-CG1 3.37Å; Y395-I417 PolarHBondContact OH-O 3.35Å; L396-I417 HydrophobicContact CD2-CD1 3.63Å; V399-I417 HydrophobicContact CB-CD1 4.21Å; V399-I417 HydrophobicContact CG1-CD1 3.84Å; V399-I417 HydrophobicContact CG1-CG1 4.33Å; V399-I417 HydrophobicContact CG2-CD1 4.13Å; V399-I417 HydrophobicContact CG2-CG1 4.16Å
418	F	97.1	Very high	89.8	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	32%	0.32	C	S	.	.	S	Bend	trans	-150.5	144.5	176.3	-159.9	-87.5	0	0	0	109.1	Y106 L111 H114 Y352 L353 A420 E422 L423	Y106-F418 HydrophobicContact CD1-CE2 4.37Å; Y106-F418 AromaticContact CE1-CE2 3.89Å; Y106-F418 HydrophobicContact CE1-CE2 3.89Å; Y106-F418 AromaticContact CE1-CZ 3.76Å; Y106-F418 HydrophobicContact CE1-CZ 3.76Å; Y106-F418 AromaticContact CZ-CZ 3.87Å; L111-F418 HydrophobicContact CD2-CD2 4.09Å; L111-F418 HydrophobicContact CD2-CE2 3.79Å; H114-F418 AromaticContact CE1-CE2 3.65Å; H114-F418 AromaticContact CE1-CZ 3.52Å; H114-F418 AromaticContact ND1-CD2 3.49Å; H114-F418 WeakPolarHBondContact ND1-CD2 3.49Å; H114-F418 AromaticContact ND1-CE1 3.83Å; H114-F418 AromaticContact ND1-CE2 3.25Å; H114-F418 WeakPolarHBondContact ND1-CE2 3.44Å; H114-F418 AromaticContact ND1-CG 3.89Å; H114-F418 AromaticContact ND1-CZ 3.42Å; H114-F418 WeakPolarHBondContact ND1-CZ 3.49Å; Y352-F418 AromaticContact CD1-CD1 3.77Å; Y352-F418 HydrophobicContact CD1-CD1 3.77Å; Y352-F418 HydrophobicContact CD1-CD2 4.06Å; Y352-F418 AromaticContact CD1-CE1 3.77Å; Y352-F418 HydrophobicContact CD1-CE1 3.77Å; Y352-F418 HydrophobicContact CD1-CE2 4.05Å; Y352-F418 AromaticContact CD1-CG 3.92Å; Y352-F418 HydrophobicContact CD1-CG 3.92Å; Y352-F418 AromaticContact CD1-CZ 3.92Å; Y352-F418 HydrophobicContact CD1-CZ 3.92Å; Y352-F418 AromaticContact CE1-CD1 3.88Å; Y352-F418 HydrophobicContact CE1-CD1 3.88Å; Y352-F418 HydrophobicContact CE1-CD2 4.41Å; Y352-F418 AromaticContact CE1-CE1 3.38Å; Y352-F418 HydrophobicContact CE1-CE1 3.38Å; Y352-F418 AromaticContact CE1-CE2 3.97Å; Y352-F418 HydrophobicContact CE1-CE2 3.97Å; Y352-F418 HydrophobicContact CE1-CG 4.37Å; Y352-F418 AromaticContact CE1-CZ 3.44Å; Y352-F418 HydrophobicContact CE1-CZ 3.44Å; Y352-F418 VanDerWaalsContact CE1-CZ 3.44Å; L353-F418 HydrophobicContact CD2-CD2 3.83Å; L353-F418 HydrophobicContact CD2-CE2 4.19Å; L353-F418 HydrophobicContact CG-CD2 4.38Å; F418-A420 PolarHBondContact O-N 3.22Å; F418-E422 HydrophobicContact CE1-CB 3.97Å; F418-E422 HydrophobicContact CE1-CG 4Å; F418-E422 HydrophobicContact CZ-CG 4.3Å; F418-E422 WeakPolarHBondContact CZ-OE1 3.39Å; F418-L423 HydrophobicContact CD1-CB 4.01Å; F418-L423 HydrophobicContact CE1-CB 4.39Å
419	N	95.1	Very high	91.1	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	30%	0.299	S	S	.	.			trans	-64	121.5	-177.2	-174.7	-69.1	0	0	0	110.6	H114 N421 E422 L423	H114-N419 HydrophobicContact CB-CB 4.24Å; N419-N421 VanDerWaalsContact C-N 3.28Å; N419-N421 PolarHBondContact O-N 2.92Å; N419-N421 WeakPolarHBondContact OD1-CA 3.26Å; N419-N421 VanDerWaalsContact OD1-CB 3.32Å; N419-N421 WeakPolarHBondContact OD1-CB 3.43Å; N419-N421 PolarHBondContact OD1-N 3.13Å; N419-E422 HydrophobicContact CB-CB 4.22Å; N419-E422 PolarHBondContact O-N 3Å; N419-E422 PolarHBondContact OD1-N 3.45Å; N419-E422 VanDerWaalsContact OD1-N 3.17Å; N419-L423 WeakPolarHBondContact O-CB 3.43Å; N419-L423 PolarHBondContact O-N 3.41Å
420	A	93	Very high	92.5	Very high	19 Å²	19	57.6 Å²	57.6	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-30.5	-176.4	0	0	0	0	0	114	F418 A424	F418-A420 PolarHBondContact O-N 3.22Å; A420-A424 WeakPolarHBondContact O-CB 3.38Å; A420-A424 PolarHBondContact O-N 3.38Å
421	N	94.3	Very high	93.7	Very high	122 Å²	122	59.5 Å²	59.5	65%	0.652	30%	0.297	S	S	*	.	H	α-helix	trans	-72.3	-46.4	178.5	-61.9	-32.7	0	0	0	110.6	N419 L423 A424 E425	N419-N421 VanDerWaalsContact C-N 3.28Å; N419-N421 PolarHBondContact O-N 2.92Å; N419-N421 WeakPolarHBondContact OD1-CA 3.26Å; N419-N421 VanDerWaalsContact OD1-CB 3.32Å; N419-N421 WeakPolarHBondContact OD1-CB 3.43Å; N419-N421 PolarHBondContact OD1-N 3.13Å; N421-L423 VanDerWaalsContact C-N 3.33Å; N421-L423 PolarHBondContact O-N 2.96Å; N421-A424 WeakPolarHBondContact O-CB 3.38Å; N421-A424 PolarHBondContact O-N 3.02Å; N421-A424 VanDerWaalsContact O-N 3.1Å; N421-E425 PolarHBondContact O-N 3.45Å
422	E	92.8	Very high	94.7	Very high	52 Å²	52	52.6 Å²	52.6	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-38.3	176.7	-172.6	-176.2	145.8	0	0	111.6	Y106 H114 F418 N419 A424 E425	Y106-E422 WeakPolarHBondContact CE1-OE1 3.31Å; Y106-E422 PolarHBondContact OH-OE1 3.2Å; H114-E422 IonicContact CE1-OE1 2.75Å; H114-E422 IonicContact CE1-OE2 2.99Å; H114-E422 PolarHBondContact CE1-OE2 3.05Å; H114-E422 IonicContact ND1-OE2 3.99Å; H114-E422 IonicContact NE2-OE2 3.4Å; H114-E422 PolarHBondContact NE2-OE2 3.33Å; F418-E422 HydrophobicContact CE1-CB 3.97Å; F418-E422 HydrophobicContact CE1-CG 4Å; F418-E422 HydrophobicContact CZ-CG 4.3Å; F418-E422 WeakPolarHBondContact CZ-OE1 3.39Å; N419-E422 HydrophobicContact CB-CB 4.22Å; N419-E422 PolarHBondContact O-N 3Å; N419-E422 PolarHBondContact OD1-N 3.45Å; N419-E422 VanDerWaalsContact OD1-N 3.17Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 2.9Å; E422-E425 WeakPolarHBondContact O-CB 3.43Å; E422-E425 PolarHBondContact O-N 3.35Å
423	L	93.9	Very high	95.3	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-36.9	173.2	-173.2	151.7	0	0	0	111.7	Y130 V348 Y352 F418 N419 N421 E425 D426 F429 L430	Y130-L423 HydrophobicContact CE1-CD2 3.9Å; V348-L423 HydrophobicContact CG1-CD1 4.15Å; Y352-L423 HydrophobicContact CD1-CD1 4.32Å; Y352-L423 HydrophobicContact CD2-CD1 4.34Å; Y352-L423 HydrophobicContact CD2-CG 4.2Å; Y352-L423 HydrophobicContact CE2-CG 4.48Å; Y352-L423 HydrophobicContact CG-CD1 3.92Å; Y352-L423 HydrophobicContact CG-CG 4.2Å; F418-L423 HydrophobicContact CD1-CB 4.01Å; F418-L423 HydrophobicContact CE1-CB 4.39Å; N419-L423 WeakPolarHBondContact O-CB 3.43Å; N419-L423 PolarHBondContact O-N 3.41Å; N421-L423 VanDerWaalsContact C-N 3.33Å; N421-L423 PolarHBondContact O-N 2.96Å; L423-E425 VanDerWaalsContact C-N 3.27Å; L423-E425 PolarHBondContact O-N 2.9Å; L423-D426 PolarHBondContact O-N 3.15Å; L423-F429 HydrophobicContact CD1-CE1 3.98Å; L423-F429 HydrophobicContact CD2-CD1 3.96Å; L423-F429 HydrophobicContact CD2-CE1 3.97Å; L423-F429 HydrophobicContact CG-CD1 4.11Å; L423-F429 HydrophobicContact CG-CE1 4.04Å; L423-L430 HydrophobicContact CD2-CD1 4.27Å
424	A	94.2	Very high	95.5	Very high	44 Å²	44	51 Å²	51	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-71.9	-18.4	179.1	0	0	0	0	0	113.8	A420 N421 E422 D426 L430	A420-A424 WeakPolarHBondContact O-CB 3.38Å; A420-A424 PolarHBondContact O-N 3.38Å; N421-A424 WeakPolarHBondContact O-CB 3.38Å; N421-A424 PolarHBondContact O-N 3.02Å; N421-A424 VanDerWaalsContact O-N 3.1Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 2.9Å; A424-D426 VanDerWaalsContact C-N 3.27Å; A424-L430 HydrophobicContact CB-CD2 4.16Å
425	E	93.7	Very high	95.7	Very high	155 Å²	155	54.7 Å²	54.7	72%	0.724	27%	0.274	S	S	*	.	H	α-helix	trans	-70	-24.6	171.6	-65.2	175.5	-176.2	0	0	112.2	N421 E422 L423 E427	N421-E425 PolarHBondContact O-N 3.45Å; E422-E425 WeakPolarHBondContact O-CB 3.43Å; E422-E425 PolarHBondContact O-N 3.35Å; L423-E425 VanDerWaalsContact C-N 3.27Å; L423-E425 PolarHBondContact O-N 2.9Å; E425-E427 VanDerWaalsContact C-N 3.33Å; E425-E427 PolarHBondContact O-N 2.86Å; E425-E427 VanDerWaalsContact O-N 3.12Å
426	D	94.3	Very high	95.9	Very high	28 Å²	28	53.8 Å²	53.8	15%	0.15	27%	0.271	C	S	.	.			trans	-83.7	77	171	-163.5	-34	0	0	0	109.8	Y352 Y355 K356 L423 A424 D428 F429 L430	Y352-D426 HydrophobicContact CE2-CB 3.92Å; Y355-D426 WeakPolarHBondContact CE1-OD2 3.31Å; K356-D426 IonicContact NZ-OD2 3.57Å; K356-D426 PolarHBondContact NZ-OD2 2.89Å; L423-D426 PolarHBondContact O-N 3.15Å; A424-D426 VanDerWaalsContact C-N 3.27Å; D426-D428 PolarHBondContact O-N 3.39Å; D426-F429 HydrophobicContact CB-CB 4.1Å; D426-F429 PolarHBondContact O-N 3.3Å; D426-F429 VanDerWaalsContact O-N 3.15Å; D426-F429 WeakPolarHBondContact OD1-CB 3.23Å; D426-F429 PolarHBondContact OD1-N 2.89Å; D426-F429 VanDerWaalsContact OD1-N 3.15Å; D426-L430 PolarHBondContact O-N 3.43Å
427	E	95	Very high	96	Very high	153 Å²	153	52.5 Å²	52.5	72%	0.715	27%	0.265	S	S	*	.	H	α-helix	trans	-57.1	-35.7	-175.1	-66.8	-171.6	176.1	0	0	113	E425 R431	E425-E427 VanDerWaalsContact C-N 3.33Å; E425-E427 PolarHBondContact O-N 2.86Å; E425-E427 VanDerWaalsContact O-N 3.12Å; E427-R431 WeakPolarHBondContact O-CB 3.35Å; E427-R431 PolarHBondContact O-N 2.92Å
428	D	95.5	Very high	96.1	Very high	111 Å²	111	53.6 Å²	53.6	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-64.9	-46.4	178.1	-76.1	-26.8	0	0	0	110.9	L96 D426 Y432	L96-D428 HydrophobicContact CD1-CB 4.43Å; D426-D428 PolarHBondContact O-N 3.39Å; D428-Y432 VanDerWaalsContact O-CB 3.24Å; D428-Y432 WeakPolarHBondContact O-CB 3.07Å; D428-Y432 PolarHBondContact O-N 3.31Å
429	F	96.4	Very high	96	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-47.8	175.4	178.5	-91.9	0	0	0	111.8	L96 V348 V351 Y352 Y355 I361 L423 D426 R431 Y432 I433	L96-F429 HydrophobicContact CD2-CB 4.22Å; L96-F429 HydrophobicContact CD2-CD2 3.63Å; L96-F429 HydrophobicContact CD2-CE2 4.49Å; L96-F429 HydrophobicContact CD2-CG 4.35Å; V348-F429 HydrophobicContact CG1-CE1 3.92Å; V348-F429 HydrophobicContact CG1-CZ 4.27Å; V351-F429 HydrophobicContact CB-CZ 4.45Å; V351-F429 HydrophobicContact CG1-CE2 4.07Å; V351-F429 HydrophobicContact CG1-CZ 4.12Å; Y352-F429 HydrophobicContact CD2-CB 4.3Å; Y352-F429 AromaticContact CD2-CD1 3.46Å; Y352-F429 HydrophobicContact CD2-CD1 3.46Å; Y352-F429 VanDerWaalsContact CD2-CD1 3.46Å; Y352-F429 AromaticContact CD2-CD2 3.74Å; Y352-F429 HydrophobicContact CD2-CD2 3.74Å; Y352-F429 AromaticContact CD2-CE1 3.58Å; Y352-F429 HydrophobicContact CD2-CE1 3.58Å; Y352-F429 AromaticContact CD2-CE2 3.85Å; Y352-F429 HydrophobicContact CD2-CE2 3.85Å; Y352-F429 AromaticContact CD2-CG 3.55Å; Y352-F429 HydrophobicContact CD2-CG 3.55Å; Y352-F429 AromaticContact CD2-CZ 3.78Å; Y352-F429 HydrophobicContact CD2-CZ 3.78Å; Y352-F429 HydrophobicContact CE2-CB 4.19Å; Y352-F429 HydrophobicContact CE2-CD1 4.01Å; Y352-F429 HydrophobicContact CE2-CD2 4.39Å; Y352-F429 AromaticContact CE2-CG 3.94Å; Y352-F429 HydrophobicContact CE2-CG 3.94Å; Y352-F429 HydrophobicContact CG-CD1 4.42Å; Y352-F429 HydrophobicContact CG-CE1 4.13Å; Y352-F429 HydrophobicContact CG-CZ 4.19Å; Y355-F429 HydrophobicContact CD1-CB 4.37Å; Y355-F429 AromaticContact CD1-CD2 3.5Å; Y355-F429 HydrophobicContact CD1-CD2 3.5Å; Y355-F429 HydrophobicContact CD1-CE2 4.15Å; Y355-F429 HydrophobicContact CD1-CG 4.21Å; Y355-F429 HydrophobicContact CE1-CB 4.03Å; Y355-F429 AromaticContact CE1-CD2 3.97Å; Y355-F429 HydrophobicContact CE1-CD2 3.97Å; Y355-F429 HydrophobicContact CE1-CG 4.37Å; Y355-F429 AromaticContact CG-CD2 3.89Å; Y355-F429 HydrophobicContact CG-CD2 3.89Å; Y355-F429 HydrophobicContact CG-CE2 4.25Å; I361-F429 HydrophobicContact CD1-CE2 4.37Å; L423-F429 HydrophobicContact CD1-CE1 3.98Å; L423-F429 HydrophobicContact CD2-CD1 3.96Å; L423-F429 HydrophobicContact CD2-CE1 3.97Å; L423-F429 HydrophobicContact CG-CD1 4.11Å; L423-F429 HydrophobicContact CG-CE1 4.04Å; D426-F429 HydrophobicContact CB-CB 4.1Å; D426-F429 PolarHBondContact O-N 3.3Å; D426-F429 VanDerWaalsContact O-N 3.15Å; D426-F429 WeakPolarHBondContact OD1-CB 3.23Å; D426-F429 PolarHBondContact OD1-N 2.89Å; D426-F429 VanDerWaalsContact OD1-N 3.15Å; F429-R431 VanDerWaalsContact C-N 3.35Å; F429-R431 PolarHBondContact O-N 3.35Å; F429-Y432 WeakPolarHBondContact O-CB 3.21Å; F429-Y432 PolarHBondContact O-N 2.94Å; F429-I433 HydrophobicContact CD1-CG1 4.04Å; F429-I433 HydrophobicContact CD2-CG1 4.48Å; F429-I433 HydrophobicContact CE1-CD1 4.27Å; F429-I433 HydrophobicContact CE1-CG1 3.53Å; F429-I433 HydrophobicContact CE2-CD1 4.08Å; F429-I433 HydrophobicContact CE2-CG1 4.03Å; F429-I433 HydrophobicContact CG-CG1 4.49Å; F429-I433 HydrophobicContact CZ-CD1 3.74Å; F429-I433 HydrophobicContact CZ-CG1 3.52Å; F429-I433 WeakPolarHBondContact O-CG1 3.45Å; F429-I433 PolarHBondContact O-N 3.24Å
430	L	97.1	Very high	96	Very high	39 Å²	39	54.1 Å²	54.1	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-46.2	-178.7	-179.1	62.2	0	0	0	111	Y130 L423 A424 D426 Y432 I433 I434	Y130-L430 HydrophobicContact CD1-CD1 3.88Å; Y130-L430 HydrophobicContact CE1-CD1 3.93Å; L423-L430 HydrophobicContact CD2-CD1 4.27Å; A424-L430 HydrophobicContact CB-CD2 4.16Å; D426-L430 PolarHBondContact O-N 3.43Å; L430-Y432 VanDerWaalsContact C-N 3.34Å; L430-Y432 PolarHBondContact O-N 3.36Å; L430-I433 PolarHBondContact O-N 2.86Å; L430-I434 HydrophobicContact CD1-CD1 3.95Å; L430-I434 HydrophobicContact CD1-CG1 4.4Å; L430-I434 HydrophobicContact CG-CD1 3.93Å; L430-I434 WeakPolarHBondContact O-CG1 3.48Å; L430-I434 PolarHBondContact O-N 2.86Å; L430-I434 VanDerWaalsContact O-N 3.07Å
431	R	97.5	Very high	96.2	Very high	158 Å²	158	53.2 Å²	53.2	60%	0.596	27%	0.273	S	S	*	.	H	α-helix	trans	-57.1	-48.4	174.6	179.3	63.1	63.1	-174.1	0.4	110.9	E427 F429 I433 I434 D435	E427-R431 WeakPolarHBondContact O-CB 3.35Å; E427-R431 PolarHBondContact O-N 2.92Å; F429-R431 VanDerWaalsContact C-N 3.35Å; F429-R431 PolarHBondContact O-N 3.35Å; R431-I433 PolarHBondContact O-N 3.46Å; R431-I434 PolarHBondContact O-N 2.97Å; R431-D435 WeakPolarHBondContact CD-OD2 3.21Å; R431-D435 WeakPolarHBondContact CG-OD2 3.26Å; R431-D435 WeakPolarHBondContact O-CB 3.47Å; R431-D435 VanDerWaalsContact O-CG 3.24Å; R431-D435 PolarHBondContact O-N 3.31Å
432	Y	98.3	Very high	96.2	Very high	26 Å²	26	53.4 Å²	53.4	10%	0.102	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-47.1	-179.6	179.3	-92.7	0	0	0	112.7	L94 L96 A362 I363 D428 F429 L430 D435 S436	L94-Y432 HydrophobicContact CB-CE2 4.14Å; L94-Y432 WeakPolarHBondContact O-CE2 3.33Å; L94-Y432 PolarHBondContact O-OH 2.85Å; L96-Y432 HydrophobicContact CB-CD1 4.22Å; L96-Y432 HydrophobicContact CB-CD2 3.85Å; L96-Y432 HydrophobicContact CB-CE1 4.34Å; L96-Y432 HydrophobicContact CB-CE2 3.97Å; L96-Y432 HydrophobicContact CB-CG 3.98Å; L96-Y432 HydrophobicContact CD1-CD2 4.36Å; L96-Y432 HydrophobicContact CD1-CG 4.26Å; L96-Y432 HydrophobicContact CD2-CD1 3.97Å; L96-Y432 HydrophobicContact CD2-CG 3.94Å; L96-Y432 HydrophobicContact CG-CD2 4.49Å; L96-Y432 HydrophobicContact CG-CG 4.28Å; A362-Y432 VanDerWaalsContact CA-OH 3.26Å; A362-Y432 WeakPolarHBondContact CA-OH 3.09Å; I363-Y432 HydrophobicContact CB-CE1 4.39Å; I363-Y432 HydrophobicContact CD1-CE1 3.93Å; I363-Y432 HydrophobicContact CG1-CE1 4.08Å; I363-Y432 PolarHBondContact N-OH 2.95Å; D428-Y432 VanDerWaalsContact O-CB 3.24Å; D428-Y432 WeakPolarHBondContact O-CB 3.07Å; D428-Y432 PolarHBondContact O-N 3.31Å; F429-Y432 WeakPolarHBondContact O-CB 3.21Å; F429-Y432 PolarHBondContact O-N 2.94Å; L430-Y432 VanDerWaalsContact C-N 3.34Å; L430-Y432 PolarHBondContact O-N 3.36Å; Y432-D435 PolarHBondContact O-N 3.39Å; Y432-S436 WeakPolarHBondContact O-CB 3.49Å; Y432-S436 PolarHBondContact O-N 2.95Å
433	I	98.4	Very high	96.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-48	178.9	-67.3	-63.1	0	0	0	110.8	Y130 V348 V351 I363 F429 L430 R431 D435 S436 N437	Y130-I433 HydrophobicContact CD1-CG2 4.24Å; Y130-I433 HydrophobicContact CG-CG2 4.3Å; V348-I433 HydrophobicContact CG1-CG1 4.3Å; V348-I433 HydrophobicContact CG1-CG2 4.16Å; V348-I433 HydrophobicContact CG2-CG2 4.06Å; V351-I433 HydrophobicContact CG1-CD1 3.99Å; I363-I433 HydrophobicContact CD1-CD1 3.56Å; F429-I433 HydrophobicContact CD1-CG1 4.04Å; F429-I433 HydrophobicContact CD2-CG1 4.48Å; F429-I433 HydrophobicContact CE1-CD1 4.27Å; F429-I433 HydrophobicContact CE1-CG1 3.53Å; F429-I433 HydrophobicContact CE2-CD1 4.08Å; F429-I433 HydrophobicContact CE2-CG1 4.03Å; F429-I433 HydrophobicContact CG-CG1 4.49Å; F429-I433 HydrophobicContact CZ-CD1 3.74Å; F429-I433 HydrophobicContact CZ-CG1 3.52Å; F429-I433 WeakPolarHBondContact O-CG1 3.45Å; F429-I433 PolarHBondContact O-N 3.24Å; L430-I433 PolarHBondContact O-N 2.86Å; R431-I433 PolarHBondContact O-N 3.46Å; I433-D435 PolarHBondContact O-N 2.99Å; I433-S436 PolarHBondContact O-N 3.44Å; I433-N437 VanDerWaalsContact O-CB 3.31Å; I433-N437 WeakPolarHBondContact O-CB 3.49Å; I433-N437 PolarHBondContact O-N 2.99Å
434	I	98.3	Very high	96.3	Very high	40 Å²	40	55 Å²	55	21%	0.205	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-48.2	179.6	-69.5	170.1	0	0	0	110.6	L430 R431 N437 N438	L430-I434 HydrophobicContact CD1-CD1 3.95Å; L430-I434 HydrophobicContact CD1-CG1 4.4Å; L430-I434 HydrophobicContact CG-CD1 3.93Å; L430-I434 WeakPolarHBondContact O-CG1 3.48Å; L430-I434 PolarHBondContact O-N 2.86Å; L430-I434 VanDerWaalsContact O-N 3.07Å; R431-I434 PolarHBondContact O-N 2.97Å; I434-N437 PolarHBondContact O-N 2.79Å; I434-N438 WeakPolarHBondContact CG2-ND2 3.3Å; I434-N438 VanDerWaalsContact O-CB 3.25Å; I434-N438 WeakPolarHBondContact O-CB 3.33Å; I434-N438 PolarHBondContact O-N 3.16Å; I434-N438 PolarHBondContact O-ND2 3.11Å
435	D	98.3	Very high	96.3	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-42	-177.7	-70.4	-13.5	0	0	0	111.5	R431 Y432 I433 N438 A439	R431-D435 WeakPolarHBondContact CD-OD2 3.21Å; R431-D435 WeakPolarHBondContact CG-OD2 3.26Å; R431-D435 WeakPolarHBondContact O-CB 3.47Å; R431-D435 VanDerWaalsContact O-CG 3.24Å; R431-D435 PolarHBondContact O-N 3.31Å; Y432-D435 PolarHBondContact O-N 3.39Å; I433-D435 PolarHBondContact O-N 2.99Å; D435-N438 PolarHBondContact O-N 3.16Å; D435-A439 VanDerWaalsContact O-CB 3.23Å; D435-A439 WeakPolarHBondContact O-CB 3.21Å; D435-A439 PolarHBondContact O-N 2.87Å
436	S	98.1	Very high	96.3	Very high	16 Å²	16	47.8 Å²	47.8	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-50.8	175.1	173.7	0	0	0	0	111.7	I363 Y432 I433 N438 A439 I440	I363-S436 WeakPolarHBondContact CG2-OG 3.27Å; Y432-S436 WeakPolarHBondContact O-CB 3.49Å; Y432-S436 PolarHBondContact O-N 2.95Å; I433-S436 PolarHBondContact O-N 3.44Å; S436-N438 VanDerWaalsContact C-N 3.33Å; S436-N438 PolarHBondContact O-N 2.83Å; S436-A439 PolarHBondContact O-N 2.94Å; S436-I440 WeakPolarHBondContact O-CB 3.3Å; S436-I440 WeakPolarHBondContact O-CG1 3.37Å; S436-I440 PolarHBondContact O-N 3.2Å
437	N	98	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-42.4	178.8	-83.3	-18.1	0	0	0	111.7	Y130 C131 D341 L342 F343 I433 I434 G441	Y130-N437 WeakPolarHBondContact O-CB 3.49Å; Y130-N437 PolarHBondContact O-ND2 3.49Å; C131-N437 HydrophobicContact CB-CB 4.05Å; D341-N437 PolarHBondContact O-OD1 2.9Å; L342-N437 PolarHBondContact O-ND2 3.26Å; F343-N437 HydrophobicContact CE1-CB 4.08Å; I433-N437 VanDerWaalsContact O-CB 3.31Å; I433-N437 WeakPolarHBondContact O-CB 3.49Å; I433-N437 PolarHBondContact O-N 2.99Å; I434-N437 PolarHBondContact O-N 2.79Å; N437-G441 WeakPolarHBondContact O-CA 3.36Å; N437-G441 PolarHBondContact O-N 2.83Å
438	N	97.8	Very high	96	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-44.7	177.4	-72.8	-21.2	0	0	0	112.1	D132 I434 D435 S436 K442	D132-N438 WeakPolarHBondContact CB-OD1 3.35Å; D132-N438 PolarHBondContact N-OD1 3.49Å; I434-N438 WeakPolarHBondContact CG2-ND2 3.3Å; I434-N438 VanDerWaalsContact O-CB 3.25Å; I434-N438 WeakPolarHBondContact O-CB 3.33Å; I434-N438 PolarHBondContact O-N 3.16Å; I434-N438 PolarHBondContact O-ND2 3.11Å; D435-N438 PolarHBondContact O-N 3.16Å; S436-N438 VanDerWaalsContact C-N 3.33Å; S436-N438 PolarHBondContact O-N 2.83Å; N438-K442 WeakPolarHBondContact O-CB 3.35Å; N438-K442 VanDerWaalsContact O-CG 3.22Å; N438-K442 WeakPolarHBondContact O-CG 3.47Å; N438-K442 PolarHBondContact O-N 2.9Å
439	A	95.9	Very high	95.8	Very high	50 Å²	50	41.3 Å²	41.3	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-48.3	-179.6	0	0	0	0	0	111.9	D435 S436 K443	D435-A439 VanDerWaalsContact O-CB 3.23Å; D435-A439 WeakPolarHBondContact O-CB 3.21Å; D435-A439 PolarHBondContact O-N 2.87Å; S436-A439 PolarHBondContact O-N 2.94Å; A439-K443 PolarHBondContact O-N 2.97Å
440	I	96.1	Very high	95.6	Very high	18 Å²	18	41.4 Å²	41.4	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-41.3	177.9	-64.6	173.3	0	0	0	110.3	I363 K365 R376 S436 K442 K443 Q444	I363-I440 HydrophobicContact CG2-CD1 4.03Å; K365-I440 HydrophobicContact CB-CD1 4.44Å; K365-I440 HydrophobicContact CD-CG2 3.94Å; R376-I440 HydrophobicContact CB-CD1 4.48Å; S436-I440 WeakPolarHBondContact O-CB 3.3Å; S436-I440 WeakPolarHBondContact O-CG1 3.37Å; S436-I440 PolarHBondContact O-N 3.2Å; I440-K442 PolarHBondContact O-N 3.19Å; I440-K443 PolarHBondContact O-N 3.35Å; I440-Q444 WeakPolarHBondContact O-CB 3Å; I440-Q444 PolarHBondContact O-N 2.94Å
441	G	95.6	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-42.3	177.8	0	0	0	0	0	113.2	N437 K443 Q444 I445	N437-G441 WeakPolarHBondContact O-CA 3.36Å; N437-G441 PolarHBondContact O-N 2.83Å; G441-K443 PolarHBondContact O-N 2.75Å; G441-Q444 WeakPolarHBondContact O-CB 3.48Å; G441-Q444 PolarHBondContact O-N 2.88Å; G441-I445 WeakPolarHBondContact O-CD1 3.43Å; G441-I445 VanDerWaalsContact O-CG1 3.3Å; G441-I445 WeakPolarHBondContact O-CG1 3.13Å; G441-I445 PolarHBondContact O-N 3.45Å
442	K	95.3	Very high	94.8	Very high	126 Å²	126	33.1 Å²	33.1	55%	0.548	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-48.5	173.1	-75.2	171.1	-173.6	177.2	0	111.7	I135 N438 I440 Q444 I445 V446	I135-K442 HydrophobicContact CD1-CD 4.46Å; I135-K442 HydrophobicContact CD1-CG 3.52Å; N438-K442 WeakPolarHBondContact O-CB 3.35Å; N438-K442 VanDerWaalsContact O-CG 3.22Å; N438-K442 WeakPolarHBondContact O-CG 3.47Å; N438-K442 PolarHBondContact O-N 2.9Å; I440-K442 PolarHBondContact O-N 3.19Å; K442-Q444 VanDerWaalsContact C-N 3.29Å; K442-Q444 PolarHBondContact O-N 3.49Å; K442-I445 PolarHBondContact O-N 3.34Å; K442-V446 WeakPolarHBondContact O-CG2 3.26Å; K442-V446 PolarHBondContact O-N 3.06Å; K442-V446 VanDerWaalsContact O-N 3.13Å
443	K	94.6	Very high	94.4	Very high	88 Å²	88	32.4 Å²	32.4	38%	0.383	17%	0.165	S	C	.	.	H	α-helix	trans	-62.4	-37.2	176.7	-68.7	179.4	178	176.7	0	111.7	E88 A439 I440 G441 V446 G447	E88-K443 IonicContact OE1-NZ 2.63Å; E88-K443 PolarHBondContact OE1-NZ 2.97Å; E88-K443 IonicContact OE2-NZ 2.82Å; E88-K443 PolarHBondContact OE2-NZ 3.06Å; A439-K443 PolarHBondContact O-N 2.97Å; I440-K443 PolarHBondContact O-N 3.35Å; G441-K443 PolarHBondContact O-N 2.75Å; K443-V446 PolarHBondContact O-N 3.19Å; K443-G447 PolarHBondContact O-N 3.18Å
444	Q	94	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-46	176.2	-171.6	179.4	14	0	0	112.2	P371 A372 N373 S374 I440 G441 K442 V446 G447 L448	P371-Q444 WeakPolarHBondContact O-CA 3.36Å; A372-Q444 WeakPolarHBondContact O-CG 3.43Å; A372-Q444 PolarHBondContact O-NE2 3.02Å; A372-Q444 VanDerWaalsContact O-NE2 3.12Å; N373-Q444 PolarHBondContact O-NE2 2.95Å; S374-Q444 PolarHBondContact OG-NE2 2.97Å; S374-Q444 VanDerWaalsContact OG-NE2 3.15Å; I440-Q444 WeakPolarHBondContact O-CB 3Å; I440-Q444 PolarHBondContact O-N 2.94Å; G441-Q444 WeakPolarHBondContact O-CB 3.48Å; G441-Q444 PolarHBondContact O-N 2.88Å; K442-Q444 VanDerWaalsContact C-N 3.29Å; K442-Q444 PolarHBondContact O-N 3.49Å; Q444-V446 VanDerWaalsContact C-N 3.32Å; Q444-V446 PolarHBondContact O-N 3.23Å; Q444-G447 PolarHBondContact O-N 3.41Å; Q444-G447 VanDerWaalsContact O-N 3.15Å; Q444-L448 HydrophobicContact CG-CD1 3.99Å; Q444-L448 HydrophobicContact CG-CG 4.39Å; Q444-L448 WeakPolarHBondContact O-CG 3.18Å; Q444-L448 PolarHBondContact O-N 3.16Å
445	I	93.6	Very high	93.6	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-45.6	176.9	-67.5	158.1	0	0	0	110.5	I135 H138 I139 G441 K442 G447 L448 R449	I135-I445 HydrophobicContact CD1-CD1 3.98Å; I135-I445 HydrophobicContact CG2-CD1 4.4Å; H138-I445 HydrophobicContact CB-CD1 3.48Å; H138-I445 VanDerWaalsContact CB-CD1 3.48Å; H138-I445 HydrophobicContact CB-CG1 3.95Å; H138-I445 HydrophobicContact CB-CG2 4.48Å; I139-I445 HydrophobicContact CG1-CD1 4.12Å; I139-I445 HydrophobicContact CG1-CG1 3.74Å; G441-I445 WeakPolarHBondContact O-CD1 3.43Å; G441-I445 VanDerWaalsContact O-CG1 3.3Å; G441-I445 WeakPolarHBondContact O-CG1 3.13Å; G441-I445 PolarHBondContact O-N 3.45Å; K442-I445 PolarHBondContact O-N 3.34Å; I445-G447 PolarHBondContact O-N 2.97Å; I445-L448 PolarHBondContact O-N 3.25Å; I445-R449 WeakPolarHBondContact O-CB 3.27Å; I445-R449 WeakPolarHBondContact O-CG 3.39Å; I445-R449 PolarHBondContact O-N 3.38Å
446	V	93.6	Very high	93	Very high	36 Å²	36	32.5 Å²	32.5	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-47.7	174.9	171.4	0	0	0	0	110.5	W80 C84 E85 K442 K443 Q444 L448 R449 K450	W80-V446 HydrophobicContact CH2-CG1 3.75Å; C84-V446 VanDerWaalsContact O-CG1 3.24Å; C84-V446 WeakPolarHBondContact O-CG1 3.46Å; E85-V446 HydrophobicContact CB-CG1 4.06Å; K442-V446 WeakPolarHBondContact O-CG2 3.26Å; K442-V446 PolarHBondContact O-N 3.06Å; K442-V446 VanDerWaalsContact O-N 3.13Å; K443-V446 PolarHBondContact O-N 3.19Å; Q444-V446 VanDerWaalsContact C-N 3.32Å; Q444-V446 PolarHBondContact O-N 3.23Å; V446-L448 PolarHBondContact O-N 2.99Å; V446-R449 PolarHBondContact O-N 3.2Å; V446-K450 WeakPolarHBondContact O-CB 3.46Å; V446-K450 PolarHBondContact O-N 2.78Å
447	G	92.9	Very high	92.6	Very high	3 Å²	3	34 Å²	34	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-43.6	177.2	0	0	0	0	0	113.7	K443 Q444 I445 K450 I451	K443-G447 PolarHBondContact O-N 3.18Å; Q444-G447 PolarHBondContact O-N 3.41Å; Q444-G447 VanDerWaalsContact O-N 3.15Å; I445-G447 PolarHBondContact O-N 2.97Å; G447-K450 WeakPolarHBondContact O-CB 3.4Å; G447-K450 PolarHBondContact O-N 2.85Å; G447-I451 WeakPolarHBondContact O-CG1 3.49Å; G447-I451 PolarHBondContact O-N 3.31Å; G447-I451 VanDerWaalsContact O-N 3.1Å
448	L	91.3	Very high	92	Very high	10 Å²	10	40 Å²	40	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-46.7	177.1	-68.6	164.5	0	0	0	110.9	A142 K143 F146 A372 Q444 I445 V446 K450 I451 A452	A142-L448 HydrophobicContact CB-CB 3.81Å; A142-L448 HydrophobicContact CB-CD1 3.7Å; A142-L448 HydrophobicContact CB-CG 4.37Å; K143-L448 HydrophobicContact CG-CD1 4.05Å; K143-L448 HydrophobicContact CG-CD2 4.29Å; F146-L448 HydrophobicContact CD2-CD2 4.19Å; F146-L448 HydrophobicContact CE2-CB 4.06Å; F146-L448 HydrophobicContact CE2-CD2 3.32Å; F146-L448 HydrophobicContact CE2-CG 4.27Å; F146-L448 HydrophobicContact CZ-CB 4.36Å; F146-L448 HydrophobicContact CZ-CD2 3.93Å; F146-L448 WeakPolarHBondContact CZ-O 3.19Å; A372-L448 HydrophobicContact CB-CD2 3.85Å; A372-L448 HydrophobicContact CB-CG 4.08Å; Q444-L448 HydrophobicContact CG-CD1 3.99Å; Q444-L448 HydrophobicContact CG-CG 4.39Å; Q444-L448 WeakPolarHBondContact O-CG 3.18Å; Q444-L448 PolarHBondContact O-N 3.16Å; I445-L448 PolarHBondContact O-N 3.25Å; V446-L448 PolarHBondContact O-N 2.99Å; L448-K450 VanDerWaalsContact C-N 3.3Å; L448-K450 PolarHBondContact O-N 3.4Å; L448-I451 PolarHBondContact O-N 3.39Å; L448-A452 PolarHBondContact O-N 3.17Å; L448-A452 VanDerWaalsContact O-N 3.1Å
449	R	90.6	Very high	91.5	Very high	144 Å²	144	46.1 Å²	46.1	54%	0.543	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-39.3	174.8	-72.4	176.9	178.7	176.4	1	112.2	W80 I445 V446 A452 A453	W80-R449 HydrophobicContact CZ3-CB 4.48Å; I445-R449 WeakPolarHBondContact O-CB 3.27Å; I445-R449 WeakPolarHBondContact O-CG 3.39Å; I445-R449 PolarHBondContact O-N 3.38Å; V446-R449 PolarHBondContact O-N 3.2Å; R449-A452 PolarHBondContact O-N 2.8Å; R449-A453 PolarHBondContact O-N 3.48Å
450	K	92.1	Very high	91.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-46.4	176.9	-163.9	176.4	-171.6	-172.7	0	111.9	W80 E85 C161 V446 G447 L448 A452 A453 F454 E462	W80-K450 HydrophobicContact CD2-CB 4.4Å; W80-K450 HydrophobicContact CD2-CG 3.88Å; W80-K450 HydrophobicContact CE3-CB 3.99Å; W80-K450 HydrophobicContact CE3-CG 3.99Å; W80-K450 HydrophobicContact CH2-CB 3.42Å; W80-K450 VanDerWaalsContact CH2-CB 3.42Å; W80-K450 HydrophobicContact CH2-CD 3.9Å; W80-K450 HydrophobicContact CH2-CG 3.61Å; W80-K450 HydrophobicContact CZ2-CB 3.87Å; W80-K450 HydrophobicContact CZ2-CD 3.46Å; W80-K450 VanDerWaalsContact CZ2-CD 3.46Å; W80-K450 HydrophobicContact CZ2-CG 3.49Å; W80-K450 VanDerWaalsContact CZ2-CG 3.49Å; W80-K450 HydrophobicContact CZ3-CB 3.48Å; W80-K450 VanDerWaalsContact CZ3-CB 3.48Å; W80-K450 HydrophobicContact CZ3-CG 3.86Å; E85-K450 WeakPolarHBondContact OE1-CD 3.33Å; E85-K450 IonicContact OE1-NZ 3.47Å; E85-K450 PolarHBondContact OE1-NZ 2.71Å; E85-K450 IonicContact OE2-NZ 3.18Å; E85-K450 PolarHBondContact OE2-NZ 3.45Å; C161-K450 HydrophobicContact CB-CD 4.26Å; C161-K450 HydrophobicContact CB-CG 4.02Å; C161-K450 WeakPolarHBondContact O-CE 3.43Å; C161-K450 PolarHBondContact O-NZ 3.32Å; V446-K450 WeakPolarHBondContact O-CB 3.46Å; V446-K450 PolarHBondContact O-N 2.78Å; G447-K450 WeakPolarHBondContact O-CB 3.4Å; G447-K450 PolarHBondContact O-N 2.85Å; L448-K450 VanDerWaalsContact C-N 3.3Å; L448-K450 PolarHBondContact O-N 3.4Å; K450-A452 VanDerWaalsContact C-N 3.34Å; K450-A452 PolarHBondContact O-N 3.27Å; K450-A453 PolarHBondContact O-N 3.29Å; K450-F454 HydrophobicContact CG-CD2 4.07Å; K450-F454 HydrophobicContact CG-CE2 4.01Å; K450-F454 VanDerWaalsContact O-CD2 3.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.35Å; K450-F454 PolarHBondContact O-N 3.28Å; K450-E462 IonicContact NZ-OE2 2.73Å; K450-E462 PolarHBondContact NZ-OE2 2.69Å
451	I	90.3	Very high	90.8	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-43.8	178.2	-57.9	158.5	0	0	0	110	F146 A157 R158 C161 A372 G447 L448 A453 F454 A455	F146-I451 HydrophobicContact CE1-CB 3.76Å; F146-I451 HydrophobicContact CE1-CD1 4.4Å; F146-I451 HydrophobicContact CE1-CG2 3.49Å; F146-I451 VanDerWaalsContact CE1-CG2 3.49Å; F146-I451 HydrophobicContact CZ-CB 3.84Å; F146-I451 HydrophobicContact CZ-CD1 4.13Å; F146-I451 HydrophobicContact CZ-CG2 4.11Å; A157-I451 HydrophobicContact CB-CG2 3.73Å; R158-I451 HydrophobicContact CG-CD1 3.8Å; R158-I451 HydrophobicContact CG-CG1 4.12Å; R158-I451 HydrophobicContact CG-CG2 3.96Å; C161-I451 VanDerWaalsContact SG-CG1 3.56Å; A372-I451 HydrophobicContact CB-CD1 3.34Å; G447-I451 WeakPolarHBondContact O-CG1 3.49Å; G447-I451 PolarHBondContact O-N 3.31Å; G447-I451 VanDerWaalsContact O-N 3.1Å; L448-I451 PolarHBondContact O-N 3.39Å; I451-A453 PolarHBondContact O-N 2.97Å; I451-F454 PolarHBondContact O-N 3.14Å; I451-A455 WeakPolarHBondContact O-CB 3.15Å; I451-A455 PolarHBondContact O-N 3.22Å
452	A	88.2	Confident	90.7	Very high	13 Å²	13	53.3 Å²	53.3	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-46.2	177.3	0	0	0	0	0	112	V145 L448 R449 K450 F454 A455 Q456	V145-A452 HydrophobicContact CG1-CB 3.64Å; L448-A452 PolarHBondContact O-N 3.17Å; L448-A452 VanDerWaalsContact O-N 3.1Å; R449-A452 PolarHBondContact O-N 2.8Å; K450-A452 VanDerWaalsContact C-N 3.34Å; K450-A452 PolarHBondContact O-N 3.27Å; A452-F454 PolarHBondContact O-N 2.77Å; A452-A455 PolarHBondContact O-N 2.82Å; A452-Q456 WeakPolarHBondContact O-CG 3.35Å; A452-Q456 PolarHBondContact O-N 2.93Å
453	A	89.7	Confident	90.5	Very high	10 Å²	10	53.2 Å²	53.2	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-43.6	176.5	0	0	0	0	0	112.6	W80 R449 K450 I451 A455 Q456 N457 L460	W80-A453 HydrophobicContact CB-CB 4.04Å; W80-A453 HydrophobicContact CE3-CB 4.39Å; R449-A453 PolarHBondContact O-N 3.48Å; K450-A453 PolarHBondContact O-N 3.29Å; I451-A453 PolarHBondContact O-N 2.97Å; A453-A455 VanDerWaalsContact C-N 3.35Å; A453-Q456 PolarHBondContact O-N 2.87Å; A453-N457 WeakPolarHBondContact O-CB 3.08Å; A453-N457 PolarHBondContact O-N 2.67Å; A453-L460 HydrophobicContact CB-CD1 4.17Å
454	F	91.6	Very high	90.3	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	26%	0.263	C	S	.	.	H	α-helix	trans	-72.2	-24.5	178.2	-87.7	-113.9	0	0	0	114.2	W80 A157 R160 C161 K450 I451 A452 L460	W80-F454 HydrophobicContact CG-CE2 4.24Å; A157-F454 HydrophobicContact CB-CB 4.4Å; R160-F454 HydrophobicContact CB-CD1 4.03Å; R160-F454 HydrophobicContact CB-CE1 4.5Å; R160-F454 PolarHBondContact NH1-O 3.42Å; R160-F454 VanDerWaalsContact NH1-O 3.13Å; R160-F454 WeakPolarHBondContact O-CE1 3.35Å; C161-F454 HydrophobicContact CB-CB 3.83Å; C161-F454 HydrophobicContact CB-CD1 3.48Å; C161-F454 VanDerWaalsContact CB-CD1 3.48Å; C161-F454 HydrophobicContact CB-CD2 3.59Å; C161-F454 HydrophobicContact CB-CE1 3.8Å; C161-F454 HydrophobicContact CB-CE2 3.9Å; C161-F454 HydrophobicContact CB-CG 3.35Å; C161-F454 HydrophobicContact CB-CZ 4Å; K450-F454 HydrophobicContact CG-CD2 4.07Å; K450-F454 HydrophobicContact CG-CE2 4.01Å; K450-F454 VanDerWaalsContact O-CD2 3.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.35Å; K450-F454 PolarHBondContact O-N 3.28Å; I451-F454 PolarHBondContact O-N 3.14Å; A452-F454 PolarHBondContact O-N 2.77Å; F454-L460 HydrophobicContact CD1-CB 3.87Å; F454-L460 HydrophobicContact CD2-CB 4.02Å; F454-L460 HydrophobicContact CD2-CD1 3.74Å; F454-L460 HydrophobicContact CE1-CB 3.78Å; F454-L460 HydrophobicContact CE2-CB 3.93Å; F454-L460 HydrophobicContact CE2-CD1 4.01Å; F454-L460 HydrophobicContact CE2-CG 4.5Å; F454-L460 HydrophobicContact CG-CB 4Å; F454-L460 HydrophobicContact CG-CD1 4.24Å; F454-L460 HydrophobicContact CZ-CB 3.82Å
455	A	88.1	Confident	90.4	Very high	24 Å²	24	54.7 Å²	54.7	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-72.1	-39.5	171.8	0	0	0	0	0	110.9	L149 A157 I451 A452 A453	L149-A455 HydrophobicContact CD1-CB 3.62Å; L149-A455 HydrophobicContact CD2-CB 3.97Å; L149-A455 HydrophobicContact CG-CB 4.49Å; A157-A455 HydrophobicContact CB-CB 3.75Å; I451-A455 WeakPolarHBondContact O-CB 3.15Å; I451-A455 PolarHBondContact O-N 3.22Å; A452-A455 PolarHBondContact O-N 2.82Å; A453-A455 VanDerWaalsContact C-N 3.35Å
456	Q	86.4	Confident	90.3	Very high	95 Å²	95	58.3 Å²	58.3	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-77.1	-33.7	178.1	-68.3	174.9	1.9	0	0	113.1	A452 A453	A452-Q456 WeakPolarHBondContact O-CG 3.35Å; A452-Q456 PolarHBondContact O-N 2.93Å; A453-Q456 PolarHBondContact O-N 2.87Å
457	N	87.9	Confident	90.4	Very high	47 Å²	47	63.3 Å²	63.3	25%	0.251	32%	0.319	S	S	.	.			trans	-118.5	105.5	-176.5	-172	-11	0	0	0	112.2	G78 R160 A453 E459 L460	G78-N457 PolarHBondContact O-ND2 3.15Å; G78-N457 VanDerWaalsContact O-ND2 3.07Å; R160-N457 PolarHBondContact NH2-O 3.24Å; A453-N457 WeakPolarHBondContact O-CB 3.08Å; A453-N457 PolarHBondContact O-N 2.67Å; N457-E459 PolarHBondContact O-N 3.41Å; N457-E459 WeakPolarHBondContact OD1-CB 3.34Å; N457-E459 PolarHBondContact OD1-N 2.88Å; N457-L460 HydrophobicContact CB-CD1 3.84Å; N457-L460 HydrophobicContact CB-CG 3.89Å; N457-L460 PolarHBondContact O-N 3.35Å
458	L	86.4	Confident	90.5	Very high	128 Å²	128	63.5 Å²	63.5	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14	179.6	-61.6	-177.6	0	0	0	113.8	R160	R160-L458 VanDerWaalsContact NH2-C 3.25Å; R160-L458 PolarHBondContact NH2-O 2.84Å
459	E	88.1	Confident	90.7	Very high	151 Å²	151	64.7 Å²	64.7	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.6	177.9	-62.1	-56.9	138	0	0	112.9	N457 K461	N457-E459 PolarHBondContact O-N 3.41Å; N457-E459 WeakPolarHBondContact OD1-CB 3.34Å; N457-E459 PolarHBondContact OD1-N 2.88Å; E459-K461 PolarHBondContact O-N 3.3Å
460	L	89.5	Confident	90.9	Very high	32 Å²	32	63.8 Å²	63.8	17%	0.168	33%	0.326	C	S	.	.			trans	-63.3	134.8	175	-68.4	176.3	0	0	0	111	W80 R160 A453 F454 N457	W80-L460 HydrophobicContact CB-CD1 3.83Å; W80-L460 HydrophobicContact CB-CD2 4.28Å; R160-L460 PolarHBondContact NH2-O 2.88Å; A453-L460 HydrophobicContact CB-CD1 4.17Å; F454-L460 HydrophobicContact CD1-CB 3.87Å; F454-L460 HydrophobicContact CD2-CB 4.02Å; F454-L460 HydrophobicContact CD2-CD1 3.74Å; F454-L460 HydrophobicContact CE1-CB 3.78Å; F454-L460 HydrophobicContact CE2-CB 3.93Å; F454-L460 HydrophobicContact CE2-CD1 4.01Å; F454-L460 HydrophobicContact CE2-CG 4.5Å; F454-L460 HydrophobicContact CG-CB 4Å; F454-L460 HydrophobicContact CG-CD1 4.24Å; F454-L460 HydrophobicContact CZ-CB 3.82Å; N457-L460 HydrophobicContact CB-CD1 3.84Å; N457-L460 HydrophobicContact CB-CG 3.89Å; N457-L460 PolarHBondContact O-N 3.35Å
461	K	87.5	Confident	91.2	Very high	161 Å²	161	66.6 Å²	66.6	70%	0.7	34%	0.339	S	S	*	.			trans	-135	132.8	178.9	-68	177	-174.2	169.8	0	109.6	E459 T463	E459-K461 PolarHBondContact O-N 3.3Å; K461-T463 PolarHBondContact O-N 2.79Å
462	E	92.3	Very high	91.5	Very high	26 Å²	26	66.1 Å²	66.1	12%	0.121	34%	0.336	C	S	.	.			trans	-81.1	111.7	168.5	-176.8	45.3	-104.5	0	0	109.1	R160 P163 K450 K464 Q465	R160-E462 WeakPolarHBondContact O-CB 3.21Å; P163-E462 HydrophobicContact CB-CG 4.16Å; P163-E462 HydrophobicContact CG-CG 3.97Å; K450-E462 IonicContact NZ-OE2 2.73Å; K450-E462 PolarHBondContact NZ-OE2 2.69Å; E462-K464 WeakPolarHBondContact OE1-CB 3.13Å; E462-K464 WeakPolarHBondContact OE1-CG 3.44Å; E462-K464 PolarHBondContact OE1-N 2.92Å; E462-Q465 HydrophobicContact CB-CG 3.99Å; E462-Q465 HydrophobicContact CG-CG 3.68Å
463	T	90.8	Very high	92	Very high	124 Å²	124	65.6 Å²	65.6	76%	0.761	33%	0.332	S	S	*	.	S	Bend	trans	-86.9	-18.7	-173.3	53.7	0	0	0	0	112.6	K461 Q465	K461-T463 PolarHBondContact O-N 2.79Å; T463-Q465 PolarHBondContact O-N 2.86Å
464	K	92.5	Very high	92.3	Very high	80 Å²	80	72.8 Å²	72.8	35%	0.348	36%	0.361	S	S	.	.			trans	-83.3	-6.3	-174.6	-59.9	175.2	178.2	172.2	0	113.9	L87 E462 S466 E467 V468	L87-K464 HydrophobicContact CD1-CD 3.75Å; E462-K464 WeakPolarHBondContact OE1-CB 3.13Å; E462-K464 WeakPolarHBondContact OE1-CG 3.44Å; E462-K464 PolarHBondContact OE1-N 2.92Å; K464-S466 VanDerWaalsContact C-N 3.32Å; K464-S466 PolarHBondContact O-N 2.99Å; K464-E467 PolarHBondContact O-N 3.07Å; K464-V468 HydrophobicContact CB-CG2 3.98Å; K464-V468 WeakPolarHBondContact O-CB 3.29Å; K464-V468 VanDerWaalsContact O-CG2 3.29Å; K464-V468 WeakPolarHBondContact O-CG2 3.47Å; K464-V468 PolarHBondContact O-N 3Å
465	Q	94	Very high	92.6	Very high	38 Å²	38	77.3 Å²	77.3	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-57.7	-37.8	-170.1	-64.5	-168.4	-36.4	0	0	114.7	S159 N162 P163 T166 E462 T463 R469	S159-Q465 PolarHBondContact O-NE2 2.92Å; S159-Q465 VanDerWaalsContact O-NE2 3.12Å; N162-Q465 PolarHBondContact O-NE2 3.04Å; P163-Q465 WeakPolarHBondContact O-CA 3.38Å; T166-Q465 HydrophobicContact CG2-CB 3.72Å; T166-Q465 HydrophobicContact CG2-CG 4.27Å; T166-Q465 PolarHBondContact OG1-O 3.16Å; E462-Q465 HydrophobicContact CB-CG 3.99Å; E462-Q465 HydrophobicContact CG-CG 3.68Å; T463-Q465 PolarHBondContact O-N 2.86Å; Q465-R469 VanDerWaalsContact O-CB 3.31Å; Q465-R469 WeakPolarHBondContact O-CB 3.16Å; Q465-R469 PolarHBondContact O-N 3.07Å; Q465-R469 VanDerWaalsContact O-N 3.15Å
466	S	92.9	Very high	93	Very high	87 Å²	87	76.3 Å²	76.3	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-73.7	-42.9	179.9	-63.5	0	0	0	0	112.3	K464 Q470	K464-S466 VanDerWaalsContact C-N 3.32Å; K464-S466 PolarHBondContact O-N 2.99Å; S466-Q470 WeakPolarHBondContact O-CG 3.32Å; S466-Q470 PolarHBondContact O-N 3.02Å
467	E	94.8	Very high	93.5	Very high	141 Å²	141	73.3 Å²	73.3	66%	0.659	36%	0.364	S	S	*	.	H	α-helix	trans	-65	-48.5	177.7	-178.5	-176	176.9	0	0	110.9	K464 R469 Q470 E471	K464-E467 PolarHBondContact O-N 3.07Å; E467-R469 VanDerWaalsContact C-N 3.32Å; E467-R469 PolarHBondContact O-N 2.76Å; E467-Q470 PolarHBondContact O-N 3.46Å; E467-Q470 VanDerWaalsContact O-N 3.17Å; E467-E471 PolarHBondContact O-N 2.86Å
468	V	95.2	Very high	94	Very high	8 Å²	8	71.6 Å²	71.6	5%	0.048	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-43	177.8	168.1	0	0	0	0	111.1	L87 I89 P163 F164 K464 Q470 E471 C472	L87-V468 HydrophobicContact CD1-CG2 4.34Å; I89-V468 HydrophobicContact CD1-CG1 4.16Å; I89-V468 HydrophobicContact CD1-CG2 4.18Å; P163-V468 HydrophobicContact CB-CG1 4.49Å; P163-V468 HydrophobicContact CB-CG2 4.19Å; F164-V468 HydrophobicContact CD1-CG1 3.14Å; F164-V468 HydrophobicContact CE1-CG1 3.28Å; F164-V468 HydrophobicContact CG-CG1 3.98Å; F164-V468 HydrophobicContact CZ-CG1 4.21Å; K464-V468 HydrophobicContact CB-CG2 3.98Å; K464-V468 WeakPolarHBondContact O-CB 3.29Å; K464-V468 VanDerWaalsContact O-CG2 3.29Å; K464-V468 WeakPolarHBondContact O-CG2 3.47Å; K464-V468 PolarHBondContact O-N 3Å; V468-Q470 PolarHBondContact O-N 3.26Å; V468-E471 PolarHBondContact O-N 3.49Å; V468-C472 WeakPolarHBondContact O-CB 3.43Å; V468-C472 PolarHBondContact O-N 3.28Å; V468-C472 PolarHBondContact O-SG 2.8Å
469	R	95.7	Very high	94.4	Very high	34 Å²	34	67.4 Å²	67.4	13%	0.128	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-49	175.5	174.7	177.4	174.5	88.5	12.2	111.8	T166 I167 Q465 E467 L473 D480	T166-R469 PolarHBondContact O-NH1 2.88Å; I167-R469 HydrophobicContact CG1-CB 4.07Å; I167-R469 HydrophobicContact CG1-CG 4.14Å; I167-R469 PolarHBondContact O-NH1 3.33Å; Q465-R469 VanDerWaalsContact O-CB 3.31Å; Q465-R469 WeakPolarHBondContact O-CB 3.16Å; Q465-R469 PolarHBondContact O-N 3.07Å; Q465-R469 VanDerWaalsContact O-N 3.15Å; E467-R469 VanDerWaalsContact C-N 3.32Å; E467-R469 PolarHBondContact O-N 2.76Å; R469-L473 HydrophobicContact CG-CD1 3.75Å; R469-L473 HydrophobicContact CG-CG 4.36Å; R469-L473 WeakPolarHBondContact O-CB 3.26Å; R469-L473 WeakPolarHBondContact O-CG 3.25Å; R469-L473 PolarHBondContact O-N 3Å; R469-D480 IonicContact CZ-OD1 3.7Å; R469-D480 IonicContact NE-OD1 2.68Å; R469-D480 PolarHBondContact NE-OD1 2.94Å; R469-D480 IonicContact NE-OD2 2.8Å; R469-D480 IonicContact NH2-OD1 2.9Å; R469-D480 PolarHBondContact NH2-OD1 2.86Å
470	Q	95.9	Very high	94.7	Very high	126 Å²	126	64.3 Å²	64.3	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-45	-178.3	-71	176.8	8	0	0	111.5	S466 E467 V468 K474	S466-Q470 WeakPolarHBondContact O-CG 3.32Å; S466-Q470 PolarHBondContact O-N 3.02Å; E467-Q470 PolarHBondContact O-N 3.46Å; E467-Q470 VanDerWaalsContact O-N 3.17Å; V468-Q470 PolarHBondContact O-N 3.26Å; Q470-K474 VanDerWaalsContact O-CB 3.26Å; Q470-K474 WeakPolarHBondContact O-CB 3.35Å; Q470-K474 PolarHBondContact O-N 3.36Å
471	E	96.9	Very high	94.7	Very high	61 Å²	61	69.4 Å²	69.4	29%	0.285	34%	0.344	S	S	.	.	H	α-helix	trans	-67	-46.5	-178.8	-177.6	61.6	-173.5	0	0	112.1	I89 E467 V468 K474 R475	I89-E471 HydrophobicContact CG2-CG 3.95Å; E467-E471 PolarHBondContact O-N 2.86Å; V468-E471 PolarHBondContact O-N 3.49Å; E471-K474 PolarHBondContact O-N 3.44Å; E471-R475 WeakPolarHBondContact O-CG 3.37Å; E471-R475 PolarHBondContact O-N 2.71Å; E471-R475 IonicContact OE1-CZ 3.25Å; E471-R475 IonicContact OE1-NE 2.67Å; E471-R475 PolarHBondContact OE1-NE 3.1Å; E471-R475 IonicContact OE1-NH2 2.82Å; E471-R475 PolarHBondContact OE1-NH2 2.88Å
472	C	97.9	Very high	94.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-50.1	177.3	-75	0	0	0	0	112	I167 V468 K474 R475 W476	I167-C472 HydrophobicContact CD1-CB 3.64Å; V468-C472 WeakPolarHBondContact O-CB 3.43Å; V468-C472 PolarHBondContact O-N 3.28Å; V468-C472 PolarHBondContact O-SG 2.8Å; C472-K474 VanDerWaalsContact C-N 3.31Å; C472-K474 PolarHBondContact O-N 2.56Å; C472-R475 PolarHBondContact O-N 3.28Å; C472-W476 HydrophobicContact CB-CD2 4.18Å; C472-W476 HydrophobicContact CB-CE3 4.1Å; C472-W476 HydrophobicContact CB-CH2 3.55Å; C472-W476 HydrophobicContact CB-CZ2 3.59Å; C472-W476 HydrophobicContact CB-CZ3 3.8Å; C472-W476 WeakPolarHBondContact O-CB 3.24Å; C472-W476 PolarHBondContact O-N 2.89Å
473	L	97.3	Very high	94.7	Very high	2 Å²	2	70 Å²	70	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-40.5	-179.2	-69.4	177.9	0	0	0	111.7	I167 R469 G477 L478 D480	I167-L473 HydrophobicContact CG2-CD2 4.19Å; R469-L473 HydrophobicContact CG-CD1 3.75Å; R469-L473 HydrophobicContact CG-CG 4.36Å; R469-L473 WeakPolarHBondContact O-CB 3.26Å; R469-L473 WeakPolarHBondContact O-CG 3.25Å; R469-L473 PolarHBondContact O-N 3Å; L473-G477 PolarHBondContact O-N 3.27Å; L473-G477 VanDerWaalsContact O-N 3.16Å; L473-L478 CarbonylContact C-O 3.56Å; L473-L478 HydrophobicContact CB-CB 4.47Å; L473-L478 HydrophobicContact CD2-CB 3.81Å; L473-L478 HydrophobicContact CD2-CD1 4Å; L473-L478 PolarHBondContact O-N 3.19Å; L473-L478 VanDerWaalsContact O-O 3.12Å; L473-D480 HydrophobicContact CD1-CB 3.87Å
474	K	97.5	Very high	94.8	Very high	160 Å²	160	71.3 Å²	71.3	70%	0.696	35%	0.347	S	S	*	.	H	α-helix	trans	-60.1	-48.2	174.6	-178.8	-176.9	174.9	-170.1	0	111.7	Q470 E471 C472 G477	Q470-K474 VanDerWaalsContact O-CB 3.26Å; Q470-K474 WeakPolarHBondContact O-CB 3.35Å; Q470-K474 PolarHBondContact O-N 3.36Å; E471-K474 PolarHBondContact O-N 3.44Å; C472-K474 VanDerWaalsContact C-N 3.31Å; C472-K474 PolarHBondContact O-N 2.56Å; K474-G477 PolarHBondContact O-N 2.82Å
475	R	96.6	Very high	94.7	Very high	98 Å²	98	70.5 Å²	70.5	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-44.2	179.7	-75.7	-177.9	-178.5	-103.8	-1.3	112.7	P90 S185 E471 C472 G477	P90-R475 VanDerWaalsContact CD-NH1 3.26Å; S185-R475 PolarHBondContact OG-O 3.44Å; E471-R475 WeakPolarHBondContact O-CG 3.37Å; E471-R475 PolarHBondContact O-N 2.71Å; E471-R475 IonicContact OE1-CZ 3.25Å; E471-R475 IonicContact OE1-NE 2.67Å; E471-R475 PolarHBondContact OE1-NE 3.1Å; E471-R475 IonicContact OE1-NH2 2.82Å; E471-R475 PolarHBondContact OE1-NH2 2.88Å; C472-R475 PolarHBondContact O-N 3.28Å; R475-G477 PolarHBondContact O-N 3.08Å
476	W	97.7	Very high	94.4	Very high	3 Å²	3	72.5 Å²	72.5	1%	0.011	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.6	-179.4	-51	-25.5	0	0	0	112.9	I167 V178 A181 N182 C472 L478	I167-W476 HydrophobicContact CD1-CH2 3.69Å; I167-W476 HydrophobicContact CD1-CZ3 3.82Å; I167-W476 HydrophobicContact CG2-CZ3 3.97Å; V178-W476 HydrophobicContact CG1-CE3 4Å; V178-W476 HydrophobicContact CG1-CH2 4.34Å; V178-W476 HydrophobicContact CG1-CZ3 3.47Å; V178-W476 VanDerWaalsContact CG1-CZ3 3.47Å; A181-W476 HydrophobicContact CB-CB 4.44Å; N182-W476 HydrophobicContact CB-CD2 4.04Å; N182-W476 HydrophobicContact CB-CE3 4.49Å; N182-W476 HydrophobicContact CB-CH2 4.21Å; N182-W476 HydrophobicContact CB-CZ2 3.74Å; N182-W476 VanDerWaalsContact CG-CE2 3.41Å; N182-W476 PolarHBondContact ND2-NE1 2.84Å; N182-W476 VanDerWaalsContact ND2-NE1 3.18Å; N182-W476 WeakPolarHBondContact OD1-CZ2 3.05Å; C472-W476 HydrophobicContact CB-CD2 4.18Å; C472-W476 HydrophobicContact CB-CE3 4.1Å; C472-W476 HydrophobicContact CB-CH2 3.55Å; C472-W476 HydrophobicContact CB-CZ2 3.59Å; C472-W476 HydrophobicContact CB-CZ3 3.8Å; C472-W476 WeakPolarHBondContact O-CB 3.24Å; C472-W476 PolarHBondContact O-N 2.89Å; W476-L478 VanDerWaalsContact C-N 3.34Å; W476-L478 HydrophobicContact CB-CD1 4.33Å; W476-L478 HydrophobicContact CB-CG 4.16Å; W476-L478 HydrophobicContact CE3-CD1 4.3Å
477	G	96.9	Very high	94.3	Very high	33 Å²	33	73.6 Å²	73.6	34%	0.34	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	36.3	-179.6	0	0	0	0	0	112.8	L473 K474 R475	L473-G477 PolarHBondContact O-N 3.27Å; L473-G477 VanDerWaalsContact O-N 3.16Å; K474-G477 PolarHBondContact O-N 2.82Å; R475-G477 PolarHBondContact O-N 3.08Å
478	L	97.5	Very high	94.1	Very high	11 Å²	11	71 Å²	71	6%	0.058	36%	0.357	C	S	.	.			trans	-109.1	142.2	178.7	-62.5	-177	0	0	0	110.9	F172 A181 Y227 L473 W476	F172-L478 HydrophobicContact CE2-CD1 3.86Å; F172-L478 HydrophobicContact CE2-CD2 3.69Å; F172-L478 HydrophobicContact CE2-CG 4.43Å; F172-L478 HydrophobicContact CZ-CD2 3.68Å; A181-L478 HydrophobicContact CB-CD1 3.84Å; A181-L478 HydrophobicContact CB-CD2 4.36Å; A181-L478 HydrophobicContact CB-CG 4.32Å; Y227-L478 HydrophobicContact CD1-CD2 4.4Å; Y227-L478 HydrophobicContact CE1-CD2 3.81Å; L473-L478 CarbonylContact C-O 3.56Å; L473-L478 HydrophobicContact CB-CB 4.47Å; L473-L478 HydrophobicContact CD2-CB 3.81Å; L473-L478 HydrophobicContact CD2-CD1 4Å; L473-L478 PolarHBondContact O-N 3.19Å; L473-L478 VanDerWaalsContact O-O 3.12Å; W476-L478 VanDerWaalsContact C-N 3.34Å; W476-L478 HydrophobicContact CB-CD1 4.33Å; W476-L478 HydrophobicContact CB-CG 4.16Å; W476-L478 HydrophobicContact CE3-CD1 4.3Å
479	P	95.4	Very high	94.1	Very high	40 Å²	40	72.4 Å²	72.4	26%	0.26	36%	0.363	S	S	.	.			trans	-73	142.6	174.9	30.7	-34.8	0	0	0	110.8	I171 Y227 K481	I171-P479 HydrophobicContact CD1-CG 3.92Å; I171-P479 HydrophobicContact CG2-CG 4Å; Y227-P479 WeakPolarHBondContact OH-CD 3.13Å; P479-K481 HydrophobicContact CB-CB 4.48Å; P479-K481 HydrophobicContact CB-CD 4.22Å; P479-K481 HydrophobicContact CB-CG 4.2Å; P479-K481 PolarHBondContact O-N 3.06Å
480	D	93.4	Very high	94.1	Very high	85 Å²	85	74.7 Å²	74.7	46%	0.455	38%	0.382	S	S	.	.	S	Bend	trans	-79.3	72.7	168.5	-164.8	3.7	0	0	0	110.6	R469 L473	R469-D480 IonicContact CZ-OD1 3.7Å; R469-D480 IonicContact NE-OD1 2.68Å; R469-D480 PolarHBondContact NE-OD1 2.94Å; R469-D480 IonicContact NE-OD2 2.8Å; R469-D480 IonicContact NH2-OD1 2.9Å; R469-D480 PolarHBondContact NH2-OD1 2.86Å; L473-D480 HydrophobicContact CD1-CB 3.87Å
481	K	90.7	Very high	94.1	Very high	140 Å²	140	70.2 Å²	70.2	61%	0.609	36%	0.364	S	S	*	.			trans	-133.1	157	179.8	-68.7	-179.5	-177.6	176.3	0	110.1	I171 P479	I171-K481 HydrophobicContact CG2-CB 4.06Å; P479-K481 HydrophobicContact CB-CB 4.48Å; P479-K481 HydrophobicContact CB-CD 4.22Å; P479-K481 HydrophobicContact CB-CG 4.2Å; P479-K481 PolarHBondContact O-N 3.06Å
482	L	87.5	Confident	94.1	Very high	118 Å²	118	72 Å²	72	62%	0.618	38%	0.375	S	S	*	.			trans	-80.3	144.8	170.2	-63.1	174.8	0	0	0	109.9	Q484	L482-Q484 PolarHBondContact O-N 3.28Å
483	R	92.3	Very high	94	Very high	81 Å²	81	78 Å²	78	31%	0.306	40%	0.398	S	S	.	.			trans	-48.8	126.6	167.6	-176.6	-179.3	-164.4	-101.7	-7.5	111.8	S170 I171 F172 K250 F252	S170-R483 PolarHBondContact O-N 2.85Å; S170-R483 VanDerWaalsContact O-N 3.12Å; I171-R483 WeakPolarHBondContact O-CG 3.3Å; F172-R483 WeakPolarHBondContact O-CD 3.48Å; F172-R483 PolarHBondContact O-NE 2.86Å; K250-R483 PolarHBondContact O-NH2 2.99Å; F252-R483 HydrophobicContact CD2-CG 4.33Å
484	Q	91.8	Very high	94	Very high	152 Å²	152	78.3 Å²	78.3	71%	0.71	40%	0.399	S	S	*	.			trans	-136.8	138	178.9	-71.9	175.7	12	0	0	109.7	L482	L482-Q484 PolarHBondContact O-N 3.28Å
485	A	90.7	Very high	94	Very high	63 Å²	63	70.7 Å²	70.7	52%	0.521	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-64.7	144.8	171.9	0	0	0	0	0	110.1	F252 E487	F252-A485 HydrophobicContact CD2-CB 3.97Å; F252-A485 HydrophobicContact CE1-CB 4.4Å; F252-A485 HydrophobicContact CE2-CB 3.78Å; F252-A485 HydrophobicContact CG-CB 4.38Å; F252-A485 HydrophobicContact CZ-CB 4.02Å; A485-E487 PolarHBondContact O-N 2.77Å
486	P	88.7	Confident	94	Very high	80 Å²	80	69.6 Å²	69.6	52%	0.519	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-55.2	135.2	175.9	-26.6	34.5	0	0	0	112.4	N488	P486-N488 PolarHBondContact O-N 2.73Å
487	E	89.7	Confident	94	Very high	109 Å²	109	73 Å²	73	51%	0.509	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-67.3	126.7	177.4	-172.9	-175.3	-170.1	0	0	110.6	A485 K489 R493	A485-E487 PolarHBondContact O-N 2.77Å; E487-K489 HydrophobicContact CB-CG 4.38Å; E487-K489 HydrophobicContact CG-CG 4Å; E487-K489 PolarHBondContact O-N 3.15Å; E487-K489 VanDerWaalsContact O-N 3.11Å; E487-K489 WeakPolarHBondContact OE2-CE 3.35Å; E487-R493 IonicContact OE1-CZ 3.96Å; E487-R493 IonicContact OE1-NH1 3.8Å; E487-R493 PolarHBondContact OE1-NH1 3.21Å; E487-R493 IonicContact OE1-NH2 2.84Å; E487-R493 IonicContact OE2-CZ 3.71Å; E487-R493 IonicContact OE2-NH1 2.72Å; E487-R493 IonicContact OE2-NH2 2.9Å
488	N	91.5	Very high	94	Very high	87 Å²	87	71.6 Å²	71.6	47%	0.465	37%	0.369	S	S	.	.			trans	-81.4	87.9	170.6	-175.2	12.2	0	0	0	109.9	P486 S554	P486-N488 PolarHBondContact O-N 2.73Å; N488-S554 PolarHBondContact OD1-OG 3.46Å
489	K	94.3	Very high	94.1	Very high	37 Å²	37	71.1 Å²	71.1	16%	0.161	37%	0.366	C	S	.	.			trans	-72.7	142.4	-178.4	-65.1	-178.4	-174.6	-177	0	111.8	E487 L494 E497 K553	E487-K489 HydrophobicContact CB-CG 4.38Å; E487-K489 HydrophobicContact CG-CG 4Å; E487-K489 PolarHBondContact O-N 3.15Å; E487-K489 VanDerWaalsContact O-N 3.11Å; E487-K489 WeakPolarHBondContact OE2-CE 3.35Å; K489-L494 HydrophobicContact CB-CB 4.33Å; K489-E497 IonicContact NZ-OE1 3.66Å; K489-E497 IonicContact NZ-OE2 3.75Å; K489-E497 PolarHBondContact NZ-OE2 3.25Å; K489-K553 WeakPolarHBondContact O-CE 3.29Å; K489-K553 PolarHBondContact O-NZ 2.9Å; K489-K553 VanDerWaalsContact O-NZ 3.16Å
490	P	96.2	Very high	94.1	Very high	82 Å²	82	71.4 Å²	71.4	53%	0.532	37%	0.372	S	S	.	.			trans	-54.6	150.2	164	-24.1	34.4	0	0	0	111.1	D492 R493 L494	P490-D492 VanDerWaalsContact C-N 3.33Å; P490-D492 PolarHBondContact O-N 3.41Å; P490-R493 PolarHBondContact O-N 3.03Å; P490-L494 PolarHBondContact O-N 2.97Å; P490-L494 VanDerWaalsContact O-N 3.11Å
491	T	96.5	Very high	94.2	Very high	33 Å²	33	71.1 Å²	71.1	20%	0.202	37%	0.37	C	S	.	.	H	α-helix	trans	-57.2	-45	-174.5	-59.5	0	0	0	0	111.9	R493 L494 L495 L551 K553 L559 W567	T491-R493 PolarHBondContact O-N 3.3Å; T491-L494 PolarHBondContact O-N 2.88Å; T491-L495 HydrophobicContact CG2-CD1 3.89Å; T491-L495 HydrophobicContact CG2-CG 4.47Å; T491-L495 WeakPolarHBondContact O-CB 3.32Å; T491-L495 WeakPolarHBondContact O-CG 3.34Å; T491-L495 PolarHBondContact O-N 3.39Å; T491-L551 HydrophobicContact CG2-CD2 3.8Å; T491-K553 PolarHBondContact OG1-NZ 3.26Å; T491-L559 HydrophobicContact CG2-CD1 3.84Å; T491-W567 HydrophobicContact CG2-CB 4.14Å; T491-W567 HydrophobicContact CG2-CG 4.07Å
492	D	96.1	Very high	94.5	Very high	98 Å²	98	65.1 Å²	65.1	52%	0.524	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-41.9	-180	-72.3	-51.7	0	0	0	113.8	P490 L494 L495 D496 R506	P490-D492 VanDerWaalsContact C-N 3.33Å; P490-D492 PolarHBondContact O-N 3.41Å; D492-L494 VanDerWaalsContact C-N 3.34Å; D492-L494 PolarHBondContact O-N 2.79Å; D492-L495 WeakPolarHBondContact O-CB 3.19Å; D492-L495 PolarHBondContact O-N 3.1Å; D492-D496 PolarHBondContact O-N 3.05Å; D492-R506 PolarHBondContact O-NH2 3.19Å; D492-R506 IonicContact OD1-CZ 2.68Å; D492-R506 IonicContact OD1-NH1 3.34Å; D492-R506 PolarHBondContact OD1-NH1 3.1Å
493	R	96.8	Very high	94.8	Very high	126 Å²	126	60.1 Å²	60.1	48%	0.475	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-38.1	178.5	-175.9	177.9	174.1	-153.8	-7.7	111.9	E487 P490 T491 E497	E487-R493 IonicContact OE1-CZ 3.96Å; E487-R493 IonicContact OE1-NH1 3.8Å; E487-R493 PolarHBondContact OE1-NH1 3.21Å; E487-R493 IonicContact OE1-NH2 2.84Å; E487-R493 IonicContact OE2-CZ 3.71Å; E487-R493 IonicContact OE2-NH1 2.72Å; E487-R493 IonicContact OE2-NH2 2.9Å; P490-R493 PolarHBondContact O-N 3.03Å; T491-R493 PolarHBondContact O-N 3.3Å; R493-E497 PolarHBondContact O-N 3.02Å
494	L	97.2	Very high	94.9	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-67.5	-40.9	174	-177.4	64.7	0	0	0	110.7	K489 P490 T491 D492 E497 L498 L551 K553 R579	K489-L494 HydrophobicContact CB-CB 4.33Å; P490-L494 PolarHBondContact O-N 2.97Å; P490-L494 VanDerWaalsContact O-N 3.11Å; T491-L494 PolarHBondContact O-N 2.88Å; D492-L494 VanDerWaalsContact C-N 3.34Å; D492-L494 PolarHBondContact O-N 2.79Å; L494-E497 PolarHBondContact O-N 3.36Å; L494-L498 HydrophobicContact CD1-CD1 3.99Å; L494-L498 HydrophobicContact CD1-CD2 4.38Å; L494-L498 HydrophobicContact CD1-CG 3.96Å; L494-L498 HydrophobicContact CD2-CD1 4.32Å; L494-L498 HydrophobicContact CG-CD1 3.87Å; L494-L498 HydrophobicContact CG-CG 4.16Å; L494-L498 WeakPolarHBondContact O-CG 3.28Å; L494-L498 PolarHBondContact O-N 3.23Å; L494-L551 HydrophobicContact CD2-CD1 4.01Å; L494-L551 HydrophobicContact CD2-CG 4.43Å; L494-L551 HydrophobicContact CG-CD1 4.37Å; L494-K553 HydrophobicContact CD2-CB 4.31Å; L494-K553 HydrophobicContact CD2-CG 3.74Å; L494-R579 HydrophobicContact CD1-CG 4.45Å
495	L	96.9	Very high	95	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-44.2	175.3	-77.8	166.2	0	0	0	112	T491 D492 E497 L498 L499 L551 W567 I581	T491-L495 HydrophobicContact CG2-CD1 3.89Å; T491-L495 HydrophobicContact CG2-CG 4.47Å; T491-L495 WeakPolarHBondContact O-CB 3.32Å; T491-L495 WeakPolarHBondContact O-CG 3.34Å; T491-L495 PolarHBondContact O-N 3.39Å; D492-L495 WeakPolarHBondContact O-CB 3.19Å; D492-L495 PolarHBondContact O-N 3.1Å; L495-E497 VanDerWaalsContact C-N 3.27Å; L495-E497 PolarHBondContact O-N 3.35Å; L495-L498 PolarHBondContact O-N 2.98Å; L495-L499 HydrophobicContact CB-CD1 4.5Å; L495-L499 HydrophobicContact CD2-CD1 4.23Å; L495-L499 WeakPolarHBondContact O-CA 3.37Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 WeakPolarHBondContact O-CG 3.32Å; L495-L499 PolarHBondContact O-N 3.44Å; L495-L551 HydrophobicContact CD1-CD2 4.37Å; L495-L551 HydrophobicContact CD2-CD1 4.31Å; L495-L551 HydrophobicContact CD2-CD2 3.85Å; L495-L551 HydrophobicContact CG-CD2 3.82Å; L495-W567 HydrophobicContact CD1-CZ2 4.27Å; L495-W567 HydrophobicContact CD2-CH2 4.37Å; L495-W567 HydrophobicContact CD2-CZ2 3.64Å; L495-I581 HydrophobicContact CD2-CD1 3.97Å
496	D	97.3	Very high	95.1	Very high	76 Å²	76	61.1 Å²	61.1	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-58.1	-42.5	176.6	-70.9	-34.7	0	0	0	111.6	D492 A500 A503 R506	D492-D496 PolarHBondContact O-N 3.05Å; D496-A500 WeakPolarHBondContact O-CA 3.41Å; D496-A500 PolarHBondContact O-N 3.4Å; D496-A503 HydrophobicContact CB-CB 4.44Å; D496-R506 VanDerWaalsContact CG-NH2 3.32Å; D496-R506 IonicContact OD1-CZ 2.71Å; D496-R506 IonicContact OD1-NH2 3.11Å; D496-R506 PolarHBondContact OD1-NH2 3.1Å; D496-R506 IonicContact OD2-NH2 2.62Å
497	E	96.9	Very high	95.3	Very high	74 Å²	74	60.5 Å²	60.5	35%	0.346	32%	0.316	S	S	.	.	H	α-helix	trans	-66.5	-48.9	177.8	-175.9	-178.2	175.1	0	0	112.3	K489 R493 L494 L495 R579	K489-E497 IonicContact NZ-OE1 3.66Å; K489-E497 IonicContact NZ-OE2 3.75Å; K489-E497 PolarHBondContact NZ-OE2 3.25Å; R493-E497 PolarHBondContact O-N 3.02Å; L494-E497 PolarHBondContact O-N 3.36Å; L495-E497 VanDerWaalsContact C-N 3.27Å; L495-E497 PolarHBondContact O-N 3.35Å; E497-R579 VanDerWaalsContact CD-NH1 3.28Å; E497-R579 IonicContact OE1-CZ 3.7Å; E497-R579 IonicContact OE1-NH1 3.89Å; E497-R579 PolarHBondContact OE1-NH1 3.08Å; E497-R579 IonicContact OE1-NH2 2.69Å; E497-R579 PolarHBondContact OE1-NH2 3.48Å; E497-R579 IonicContact OE2-NH1 3.72Å; E497-R579 PolarHBondContact OE2-NH1 3.31Å
498	L	97.8	Very high	95.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-75.5	-31.4	-176.2	-60.9	-176.8	0	0	0	112.3	L494 L495 L551 R579 I581 R617	L494-L498 HydrophobicContact CD1-CD1 3.99Å; L494-L498 HydrophobicContact CD1-CD2 4.38Å; L494-L498 HydrophobicContact CD1-CG 3.96Å; L494-L498 HydrophobicContact CD2-CD1 4.32Å; L494-L498 HydrophobicContact CG-CD1 3.87Å; L494-L498 HydrophobicContact CG-CG 4.16Å; L494-L498 WeakPolarHBondContact O-CG 3.28Å; L494-L498 PolarHBondContact O-N 3.23Å; L495-L498 PolarHBondContact O-N 2.98Å; L498-L551 HydrophobicContact CD1-CD1 3.63Å; L498-R579 HydrophobicContact CD2-CB 4.15Å; L498-I581 HydrophobicContact CB-CG2 3.85Å; L498-I581 HydrophobicContact CD1-CB 4.45Å; L498-I581 HydrophobicContact CD1-CG2 4.02Å; L498-R617 VanDerWaalsContact O-CZ 3.29Å; L498-R617 PolarHBondContact O-NH1 2.76Å; L498-R617 PolarHBondContact O-NH2 3.29Å
499	L	97.8	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-86.6	-12	175.7	-64.7	179.4	0	0	0	112.9	L495 D501 W502 A503 W508 L509 I581 I609 R617	L495-L499 HydrophobicContact CB-CD1 4.5Å; L495-L499 HydrophobicContact CD2-CD1 4.23Å; L495-L499 WeakPolarHBondContact O-CA 3.37Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 WeakPolarHBondContact O-CG 3.32Å; L495-L499 PolarHBondContact O-N 3.44Å; L499-D501 PolarHBondContact O-N 2.98Å; L499-W502 HydrophobicContact CB-CB 4.46Å; L499-W502 WeakPolarHBondContact O-CA 3.16Å; L499-W502 WeakPolarHBondContact O-CB 3.29Å; L499-W502 PolarHBondContact O-N 3.26Å; L499-A503 HydrophobicContact CB-CB 3.91Å; L499-A503 PolarHBondContact O-N 3.11Å; L499-W508 HydrophobicContact CD2-CH2 4.33Å; L499-W508 HydrophobicContact CD2-CZ2 4.03Å; L499-L509 HydrophobicContact CD1-CD2 4.45Å; L499-I581 HydrophobicContact CD2-CD1 3.84Å; L499-I581 HydrophobicContact CG-CD1 4.39Å; L499-I609 HydrophobicContact CD2-CD1 3.89Å; L499-I609 HydrophobicContact CD2-CG2 4.42Å; L499-R617 PolarHBondContact O-NH1 3.44Å
500	A	96.2	Very high	95.6	Very high	47 Å²	47	52 Å²	52	39%	0.388	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	43.4	-121.5	175.6	0	0	0	0	0	112.2	D496 W502 A503	D496-A500 WeakPolarHBondContact O-CA 3.41Å; D496-A500 PolarHBondContact O-N 3.4Å; A500-W502 PolarHBondContact O-N 2.99Å; A500-A503 WeakPolarHBondContact O-CB 3.34Å; A500-A503 PolarHBondContact O-N 2.92Å
501	D	95.4	Very high	95.6	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22.1	179.6	67	-67.1	0	0	0	114.2	L499 A503 N504 R618	L499-D501 PolarHBondContact O-N 2.98Å; D501-A503 VanDerWaalsContact C-N 3.26Å; D501-A503 PolarHBondContact O-N 2.73Å; D501-N504 PolarHBondContact O-ND2 2.86Å; D501-R618 IonicContact OD1-CZ 2.71Å; D501-R618 IonicContact OD1-NH1 3.37Å; D501-R618 PolarHBondContact OD1-NH1 2.89Å; D501-R618 IonicContact OD1-NH2 3.73Å; D501-R618 PolarHBondContact OD1-NH2 3.25Å; D501-R618 IonicContact OD2-CZ 2.82Å; D501-R618 IonicContact OD2-NH2 3.17Å; D501-R618 PolarHBondContact OD2-NH2 2.72Å
502	W	96.4	Very high	95.4	Very high	15 Å²	15	54.8 Å²	54.8	6%	0.057	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-78.4	-8.4	173.7	-62.7	-3.7	0	0	0	113.2	L499 A500 N504 W508 I609 R617 F742 R743	L499-W502 HydrophobicContact CB-CB 4.46Å; L499-W502 WeakPolarHBondContact O-CA 3.16Å; L499-W502 WeakPolarHBondContact O-CB 3.29Å; L499-W502 PolarHBondContact O-N 3.26Å; A500-W502 PolarHBondContact O-N 2.99Å; W502-N504 VanDerWaalsContact C-N 3.27Å; W502-N504 PolarHBondContact O-N 3.48Å; W502-W508 HydrophobicContact CB-CZ2 4.28Å; W502-W508 HydrophobicContact CE3-CH2 4.22Å; W502-W508 AromaticContact CE3-CZ2 3.97Å; W502-W508 HydrophobicContact CE3-CZ2 3.97Å; W502-I609 HydrophobicContact CZ3-CG1 4.43Å; W502-I609 HydrophobicContact CZ3-CG2 4.5Å; W502-R617 HydrophobicContact CH2-CB 3.65Å; W502-R617 HydrophobicContact CH2-CG 3.67Å; W502-R617 HydrophobicContact CZ2-CB 4.42Å; W502-R617 HydrophobicContact CZ2-CG 3.94Å; W502-R617 HydrophobicContact CZ3-CB 3.75Å; W502-R617 HydrophobicContact CZ3-CG 4.05Å; W502-F742 HydrophobicContact CH2-CB 3.94Å; W502-F742 HydrophobicContact CZ3-CB 4Å; W502-F742 AromaticContact CZ3-CD1 3.99Å; W502-F742 HydrophobicContact CZ3-CD1 3.99Å; W502-F742 HydrophobicContact CZ3-CG 4.43Å; W502-R743 HydrophobicContact CD2-CB 4.1Å; W502-R743 HydrophobicContact CE3-CB 3.93Å; W502-R743 HydrophobicContact CH2-CB 3.54Å; W502-R743 VanDerWaalsContact CH2-N 3.3Å; W502-R743 HydrophobicContact CZ2-CB 3.7Å; W502-R743 HydrophobicContact CZ3-CB 3.66Å
503	A	95.6	Very high	95.4	Very high	12 Å²	12	51.3 Å²	51.3	10%	0.099	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-69.4	-26.3	177.7	0	0	0	0	0	113	D496 L499 A500 D501 E505 R506	D496-A503 HydrophobicContact CB-CB 4.44Å; L499-A503 HydrophobicContact CB-CB 3.91Å; L499-A503 PolarHBondContact O-N 3.11Å; A500-A503 WeakPolarHBondContact O-CB 3.34Å; A500-A503 PolarHBondContact O-N 2.92Å; D501-A503 VanDerWaalsContact C-N 3.26Å; D501-A503 PolarHBondContact O-N 2.73Å; A503-E505 PolarHBondContact O-N 2.98Å; A503-R506 WeakPolarHBondContact O-CG 3.35Å
504	N	93.9	Very high	95.4	Very high	152 Å²	152	48.8 Å²	48.8	81%	0.813	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-63.2	-26.8	-177.9	-66.5	-28.5	0	0	0	113.1	D501 W502	D501-N504 PolarHBondContact O-ND2 2.86Å; W502-N504 VanDerWaalsContact C-N 3.27Å; W502-N504 PolarHBondContact O-N 3.48Å
505	E	92.8	Very high	95.4	Very high	99 Å²	99	52.1 Å²	52.1	46%	0.463	29%	0.293	S	S	.	.			trans	-136.4	110.2	176.7	-174.6	-169.9	-166.2	0	0	109.1	A503 S507 W508 R743	A503-E505 PolarHBondContact O-N 2.98Å; E505-S507 WeakPolarHBondContact CG-OG 3.11Å; E505-S507 PolarHBondContact OE1-OG 3.38Å; E505-W508 PolarHBondContact O-NE1 3.14Å; E505-R743 IonicContact OE2-CZ 3.75Å; E505-R743 IonicContact OE2-NH1 3.9Å; E505-R743 IonicContact OE2-NH2 2.72Å; E505-R743 PolarHBondContact OE2-NH2 2.89Å
506	R	93.2	Very high	95.3	Very high	67 Å²	67	52.4 Å²	52.4	25%	0.253	29%	0.294	S	S	.	.			trans	-102.9	4.4	-176.8	-62.2	-176.5	-175.1	-176.7	-1.8	114	D492 D496 A503 W508 L509	D492-R506 PolarHBondContact O-NH2 3.19Å; D492-R506 IonicContact OD1-CZ 2.68Å; D492-R506 IonicContact OD1-NH1 3.34Å; D492-R506 PolarHBondContact OD1-NH1 3.1Å; D496-R506 VanDerWaalsContact CG-NH2 3.32Å; D496-R506 IonicContact OD1-CZ 2.71Å; D496-R506 IonicContact OD1-NH2 3.11Å; D496-R506 PolarHBondContact OD1-NH2 3.1Å; D496-R506 IonicContact OD2-NH2 2.62Å; A503-R506 WeakPolarHBondContact O-CG 3.35Å; R506-W508 PolarHBondContact O-N 2.91Å; R506-L509 HydrophobicContact CB-CD1 3.8Å; R506-L509 HydrophobicContact CB-CG 4.31Å; R506-L509 HydrophobicContact CG-CD1 4.23Å; R506-L509 WeakPolarHBondContact O-CB 3.33Å; R506-L509 WeakPolarHBondContact O-CG 3.37Å; R506-L509 PolarHBondContact O-N 3.15Å
507	S	93	Very high	94.9	Very high	66 Å²	66	53.9 Å²	53.9	46%	0.462	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-56.3	-35.8	179.2	59.4	0	0	0	0	112.3	E505 L509 S510	E505-S507 WeakPolarHBondContact CG-OG 3.11Å; E505-S507 PolarHBondContact OE1-OG 3.38Å; S507-L509 VanDerWaalsContact C-N 3.26Å; S507-L509 PolarHBondContact O-N 3.37Å; S507-S510 PolarHBondContact O-N 3Å; S507-S510 PolarHBondContact O-OG 2.9Å; S507-S510 VanDerWaalsContact O-OG 3.09Å
508	W	94.5	Very high	94.6	Very high	2 Å²	2	51 Å²	51	1%	0.008	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66.5	-23.3	-177.8	68.5	-92.1	0	0	0	113.7	L499 W502 E505 R506 S510 L511 L549 I609 F742 R743 F746	L499-W508 HydrophobicContact CD2-CH2 4.33Å; L499-W508 HydrophobicContact CD2-CZ2 4.03Å; W502-W508 HydrophobicContact CB-CZ2 4.28Å; W502-W508 HydrophobicContact CE3-CH2 4.22Å; W502-W508 AromaticContact CE3-CZ2 3.97Å; W502-W508 HydrophobicContact CE3-CZ2 3.97Å; E505-W508 PolarHBondContact O-NE1 3.14Å; R506-W508 PolarHBondContact O-N 2.91Å; W508-S510 PolarHBondContact O-N 3.07Å; W508-S510 VanDerWaalsContact O-N 3.12Å; W508-L511 HydrophobicContact CB-CD1 3.88Å; W508-L511 PolarHBondContact O-N 3.45Å; W508-L511 VanDerWaalsContact O-N 3.12Å; W508-L549 HydrophobicContact CZ3-CD1 4.47Å; W508-I609 HydrophobicContact CH2-CD1 3.73Å; W508-F742 HydrophobicContact CH2-CD1 4.41Å; W508-F742 HydrophobicContact CH2-CE1 4.12Å; W508-F742 HydrophobicContact CZ3-CD1 4.3Å; W508-F742 AromaticContact CZ3-CE1 3.83Å; W508-F742 HydrophobicContact CZ3-CE1 3.83Å; W508-R743 VanDerWaalsContact CD1-NE 3.34Å; W508-R743 HydrophobicContact CD2-CG 3.97Å; W508-R743 HydrophobicContact CE3-CG 4.18Å; W508-R743 HydrophobicContact CG-CG 4.16Å; W508-F746 HydrophobicContact CE3-CD1 4Å; W508-F746 HydrophobicContact CE3-CE1 4.3Å; W508-F746 HydrophobicContact CZ3-CD1 4.28Å; W508-F746 VanDerWaalsContact O-CE1 3.28Å; W508-F746 WeakPolarHBondContact O-CE1 3.01Å
509	L	95.4	Very high	94.2	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.3	180	-60.5	176.6	0	0	0	112.6	L499 R506 S507 L549 Y561	L499-L509 HydrophobicContact CD1-CD2 4.45Å; R506-L509 HydrophobicContact CB-CD1 3.8Å; R506-L509 HydrophobicContact CB-CG 4.31Å; R506-L509 HydrophobicContact CG-CD1 4.23Å; R506-L509 WeakPolarHBondContact O-CB 3.33Å; R506-L509 WeakPolarHBondContact O-CG 3.37Å; R506-L509 PolarHBondContact O-N 3.15Å; S507-L509 VanDerWaalsContact C-N 3.26Å; S507-L509 PolarHBondContact O-N 3.37Å; L509-L549 HydrophobicContact CB-CD1 4.03Å; L509-L549 HydrophobicContact CD2-CD1 3.49Å; L509-L549 VanDerWaalsContact CD2-CD1 3.49Å; L509-L549 HydrophobicContact CG-CD1 4.34Å; L509-Y561 HydrophobicContact CB-CD1 4.31Å; L509-Y561 HydrophobicContact CB-CE1 3.72Å
510	S	92.6	Very high	93.8	Very high	47 Å²	47	57.3 Å²	57.3	33%	0.329	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-102.9	9	-178.7	52.9	0	0	0	0	114.7	S507 W508 K565	S507-S510 PolarHBondContact O-N 3Å; S507-S510 PolarHBondContact O-OG 2.9Å; S507-S510 VanDerWaalsContact O-OG 3.09Å; W508-S510 PolarHBondContact O-N 3.07Å; W508-S510 VanDerWaalsContact O-N 3.12Å; S510-K565 WeakPolarHBondContact OG-CE 3.43Å
511	L	94.7	Very high	93.6	Very high	71 Å²	71	56.9 Å²	56.9	37%	0.372	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.4	125.2	-179.5	-73.4	171	0	0	0	110.7	W508 F746 R749	W508-L511 HydrophobicContact CB-CD1 3.88Å; W508-L511 PolarHBondContact O-N 3.45Å; W508-L511 VanDerWaalsContact O-N 3.12Å; L511-F746 HydrophobicContact CB-CE1 4.39Å; L511-R749 VanDerWaalsContact O-CZ 3.32Å; L511-R749 PolarHBondContact O-NH1 2.97Å; L511-R749 PolarHBondContact O-NH2 2.74Å
512	P	94	Very high	93.5	Very high	101 Å²	101	53.2 Å²	53.2	66%	0.656	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-71.1	159.3	174.8	31.4	-34.9	0	0	0	111
513	A	96	Very high	93.3	Very high	25 Å²	25	55.4 Å²	55.4	21%	0.207	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.6	167.6	0	0	0	0	0	110.1	E515 R749 L751	A513-E515 PolarHBondContact O-N 3.49Å; A513-R749 HydrophobicContact CB-CG 3.71Å; A513-L751 HydrophobicContact CB-CB 3.78Å
514	T	96.7	Very high	93.1	Very high	74 Å²	74	57.8 Å²	57.8	45%	0.454	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.9	174.1	-53.3	0	0	0	0	109.2	M516 R749 L750 L751	T514-M516 HydrophobicContact CG2-CE 3.49Å; T514-M516 VanDerWaalsContact CG2-CE 3.49Å; T514-M516 WeakPolarHBondContact O-CE 3.31Å; T514-R749 PolarHBondContact N-O 2.61Å; T514-L750 HydrophobicContact CG2-CD2 4.45Å; T514-L750 CarbonylContact O-C 3.52Å; T514-L750 VanDerWaalsContact O-CA 3.26Å; T514-L750 WeakPolarHBondContact O-CA 3.46Å; T514-L751 PolarHBondContact O-N 2.6Å
515	E	95.8	Very high	93.1	Very high	77 Å²	77	53.3 Å²	53.3	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126	-177.9	-164.5	-177.7	172.2	0	0	111.5	A513 K517 L751	A513-E515 PolarHBondContact O-N 3.49Å; E515-K517 HydrophobicContact CG-CG 4.27Å; E515-K517 VanDerWaalsContact OE1-CE 3.24Å; E515-K517 WeakPolarHBondContact OE1-CE 3.21Å; E515-K517 IonicContact OE1-NZ 3.9Å; E515-K517 WeakPolarHBondContact OE2-CE 3.06Å; E515-K517 IonicContact OE2-NZ 2.86Å; E515-K517 PolarHBondContact OE2-NZ 2.78Å; E515-L751 CarbonylContact C-O 3.6Å; E515-L751 WeakPolarHBondContact CA-O 3.22Å
516	M	94.7	Very high	93.2	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.03	30%	0.298	C	S	.	.			trans	-88.8	118.9	176.6	-61.4	-63.8	100.7	0	0	109.6	T514 L522 M695 L750 L751 L772	T514-M516 HydrophobicContact CG2-CE 3.49Å; T514-M516 VanDerWaalsContact CG2-CE 3.49Å; T514-M516 WeakPolarHBondContact O-CE 3.31Å; M516-L522 HydrophobicContact CB-CD2 4.03Å; M516-L522 HydrophobicContact CG-CD2 3.84Å; M516-L522 HydrophobicContact SD-CD2 4Å; M516-M695 HydrophobicContact CG-CE 3.88Å; M516-L750 HydrophobicContact CE-CB 4.27Å; M516-L750 HydrophobicContact CE-CD1 4.39Å; M516-L750 HydrophobicContact CE-CD2 3.8Å; M516-L750 HydrophobicContact CE-CG 4.36Å; M516-L750 HydrophobicContact CG-CB 4.02Å; M516-L750 HydrophobicContact CG-CD1 4.42Å; M516-L750 HydrophobicContact SD-CB 4.44Å; M516-L750 HydrophobicContact SD-CD1 4.03Å; M516-L751 PolarHBondContact N-O 3.29Å; M516-L772 HydrophobicContact CB-CD1 3.76Å
517	K	90.5	Very high	93.1	Very high	107 Å²	107	51.7 Å²	51.7	47%	0.465	31%	0.313	S	S	.	.			trans	-120.1	-6.4	-174.9	-64.6	-175.3	-179.8	177.9	0	114.8	E515 K770 I771	E515-K517 HydrophobicContact CG-CG 4.27Å; E515-K517 VanDerWaalsContact OE1-CE 3.24Å; E515-K517 WeakPolarHBondContact OE1-CE 3.21Å; E515-K517 IonicContact OE1-NZ 3.9Å; E515-K517 WeakPolarHBondContact OE2-CE 3.06Å; E515-K517 IonicContact OE2-NZ 2.86Å; E515-K517 PolarHBondContact OE2-NZ 2.78Å; K517-K770 CarbonylContact O-C 3.55Å; K517-K770 WeakPolarHBondContact O-CA 3.35Å; K517-K770 VanDerWaalsContact O-O 3.08Å; K517-I771 PolarHBondContact O-N 3.45Å
518	G	89.4	Confident	93.1	Very high	15 Å²	15	50.4 Å²	50.4	16%	0.155	30%	0.301	C	S	.	.	S	Bend	trans	-168.3	161.8	178.7	0	0	0	0	0	113.7	A520 S521 L522	G518-A520 VanDerWaalsContact C-N 3.26Å; G518-A520 PolarHBondContact O-N 2.95Å; G518-S521 PolarHBondContact N-OG 2.8Å; G518-S521 PolarHBondContact O-N 2.79Å; G518-S521 PolarHBondContact O-OG 2.78Å; G518-L522 PolarHBondContact O-N 2.83Å
519	V	89.3	Confident	93.1	Very high	53 Å²	53	50.3 Å²	50.3	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-32.9	-174.2	178.7	0	0	0	0	112.6	S521 L522 N523 L772 D776	V519-S521 VanDerWaalsContact C-N 3.34Å; V519-S521 PolarHBondContact O-N 2.89Å; V519-L522 PolarHBondContact O-N 3Å; V519-N523 WeakPolarHBondContact CG1-ND2 3.43Å; V519-N523 PolarHBondContact O-N 2.87Å; V519-N523 PolarHBondContact O-ND2 3.41Å; V519-N523 VanDerWaalsContact O-ND2 3.14Å; V519-L772 HydrophobicContact CG2-CD2 3.83Å; V519-D776 HydrophobicContact CG2-CB 3.83Å
520	A	90.4	Very high	93	Very high	82 Å²	82	51.4 Å²	51.4	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-61.3	-42.1	174.9	0	0	0	0	0	112.1	G518 N523 A524	G518-A520 VanDerWaalsContact C-N 3.26Å; G518-A520 PolarHBondContact O-N 2.95Å; A520-N523 PolarHBondContact O-N 3.12Å; A520-A524 WeakPolarHBondContact O-CB 3.34Å; A520-A524 PolarHBondContact O-N 2.94Å
521	S	91.5	Very high	93.2	Very high	39 Å²	39	49.4 Å²	49.4	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-67.9	-36.6	177.6	66.9	0	0	0	0	112.5	G518 V519 A524 T525	G518-S521 PolarHBondContact N-OG 2.8Å; G518-S521 PolarHBondContact O-N 2.79Å; G518-S521 PolarHBondContact O-OG 2.78Å; V519-S521 VanDerWaalsContact C-N 3.34Å; V519-S521 PolarHBondContact O-N 2.89Å; S521-A524 PolarHBondContact O-N 2.96Å; S521-T525 WeakPolarHBondContact O-CB 3.45Å; S521-T525 PolarHBondContact O-N 3.39Å; S521-T525 VanDerWaalsContact O-N 3.1Å; S521-T525 PolarHBondContact O-OG1 3.31Å
522	L	92.5	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-50.6	172.8	-70.3	176.1	0	0	0	111.1	M516 G518 V519 A524 T525 I526 L772 F777 F780	M516-L522 HydrophobicContact CB-CD2 4.03Å; M516-L522 HydrophobicContact CG-CD2 3.84Å; M516-L522 HydrophobicContact SD-CD2 4Å; G518-L522 PolarHBondContact O-N 2.83Å; V519-L522 PolarHBondContact O-N 3Å; L522-A524 VanDerWaalsContact C-N 3.31Å; L522-A524 PolarHBondContact O-N 3.45Å; L522-T525 PolarHBondContact O-N 3.34Å; L522-I526 HydrophobicContact CD2-CD1 4.23Å; L522-I526 PolarHBondContact O-N 2.84Å; L522-L772 HydrophobicContact CD1-CD1 3.78Å; L522-L772 HydrophobicContact CD1-CD2 3.75Å; L522-L772 HydrophobicContact CD1-CG 4.43Å; L522-L772 HydrophobicContact CD2-CD1 4.33Å; L522-L772 HydrophobicContact CG-CD1 3.93Å; L522-F777 HydrophobicContact CD1-CD1 4.19Å; L522-F777 HydrophobicContact CD1-CD2 4.42Å; L522-F777 HydrophobicContact CD1-CE1 3.92Å; L522-F777 HydrophobicContact CD1-CE2 4.15Å; L522-F777 HydrophobicContact CD1-CG 4.44Å; L522-F777 HydrophobicContact CD1-CZ 3.9Å; L522-F777 HydrophobicContact CD2-CE1 3.69Å; L522-F777 HydrophobicContact CD2-CZ 3.69Å; L522-F777 HydrophobicContact CG-CE1 4.49Å; L522-F777 HydrophobicContact CG-CZ 4.41Å; L522-F780 HydrophobicContact CB-CD2 4.17Å; L522-F780 HydrophobicContact CB-CE2 4.1Å; L522-F780 HydrophobicContact CB-CG 4.45Å; L522-F780 HydrophobicContact CB-CZ 4.34Å; L522-F780 HydrophobicContact CD1-CD1 4.5Å; L522-F780 HydrophobicContact CD1-CG 4.4Å
523	N	92.9	Very high	93.5	Very high	62 Å²	62	42.7 Å²	42.7	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-35.2	178.5	-84.5	-58.9	0	0	0	113.7	V519 A520 T525 K527 F780 K784	V519-N523 WeakPolarHBondContact CG1-ND2 3.43Å; V519-N523 PolarHBondContact O-N 2.87Å; V519-N523 PolarHBondContact O-ND2 3.41Å; V519-N523 VanDerWaalsContact O-ND2 3.14Å; A520-N523 PolarHBondContact O-N 3.12Å; N523-T525 VanDerWaalsContact C-N 3.33Å; N523-K527 PolarHBondContact O-NZ 3.36Å; N523-K527 VanDerWaalsContact O-NZ 3.11Å; N523-F780 WeakPolarHBondContact OD1-CE2 3.36Å; N523-K784 WeakPolarHBondContact OD1-CE 3.45Å
524	A	92.6	Very high	93.6	Very high	62 Å²	62	41.5 Å²	41.5	51%	0.512	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-36.3	176.3	0	0	0	0	0	112	A520 S521 L522 K527	A520-A524 WeakPolarHBondContact O-CB 3.34Å; A520-A524 PolarHBondContact O-N 2.94Å; S521-A524 PolarHBondContact O-N 2.96Å; L522-A524 VanDerWaalsContact C-N 3.31Å; L522-A524 PolarHBondContact O-N 3.45Å; A524-K527 WeakPolarHBondContact O-CE 3.46Å; A524-K527 PolarHBondContact O-NZ 2.96Å
525	T	93.3	Very high	93.6	Very high	57 Å²	57	38 Å²	38	35%	0.35	22%	0.222	S	C	.	.	H	α-helix	trans	-96.9	-48.7	-170	-47	0	0	0	0	112.9	S521 L522 N523 K527 L750	S521-T525 WeakPolarHBondContact O-CB 3.45Å; S521-T525 PolarHBondContact O-N 3.39Å; S521-T525 VanDerWaalsContact O-N 3.1Å; S521-T525 PolarHBondContact O-OG1 3.31Å; L522-T525 PolarHBondContact O-N 3.34Å; N523-T525 VanDerWaalsContact C-N 3.33Å; T525-K527 PolarHBondContact O-N 2.87Å; T525-L750 HydrophobicContact CG2-CD1 3.69Å; T525-L750 HydrophobicContact CG2-CD2 3.77Å; T525-L750 HydrophobicContact CG2-CG 4.34Å
526	I	94.6	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.			trans	-94	98.8	-175.3	-59.1	177.3	0	0	0	108.8	L522 V529 W532 L656 M695 L750 F780 K784	L522-I526 HydrophobicContact CD2-CD1 4.23Å; L522-I526 PolarHBondContact O-N 2.84Å; I526-V529 HydrophobicContact CG2-CG2 4.14Å; I526-W532 HydrophobicContact CD1-CD2 4.36Å; I526-W532 HydrophobicContact CG1-CD2 4.09Å; I526-W532 HydrophobicContact CG1-CZ2 4.09Å; I526-W532 HydrophobicContact CG2-CG 4.17Å; I526-L656 HydrophobicContact CD1-CD2 3.8Å; I526-L656 HydrophobicContact CG2-CD2 4.23Å; I526-M695 HydrophobicContact CD1-SD 4.15Å; I526-L750 HydrophobicContact CD1-CD1 4Å; I526-L750 HydrophobicContact CG1-CD1 3.88Å; I526-F780 HydrophobicContact CB-CE1 4.25Å; I526-F780 HydrophobicContact CB-CZ 3.76Å; I526-F780 HydrophobicContact CD1-CE1 4.36Å; I526-F780 HydrophobicContact CG2-CE1 4.04Å; I526-F780 HydrophobicContact CG2-CZ 3.8Å; I526-K784 WeakPolarHBondContact O-CE 3.46Å
527	K	90.5	Very high	93.8	Very high	132 Å²	132	34.4 Å²	34.4	57%	0.574	21%	0.205	S	C	*	.	S	Bend	trans	-79.6	-41.1	-179.5	-59.9	-54.5	178.6	-166.4	0	113	N523 A524 T525	N523-K527 PolarHBondContact O-NZ 3.36Å; N523-K527 VanDerWaalsContact O-NZ 3.11Å; A524-K527 WeakPolarHBondContact O-CE 3.46Å; A524-K527 PolarHBondContact O-NZ 2.96Å; T525-K527 PolarHBondContact O-N 2.87Å
528	N	93.4	Very high	93.9	Very high	39 Å²	39	29.5 Å²	29.5	21%	0.209	19%	0.185	C	C	.	.			trans	-131	118.7	179.2	179	22.3	0	0	0	109.2	A530 D531 V704 S705	N528-A530 VanDerWaalsContact C-N 3.28Å; N528-A530 PolarHBondContact O-N 3.15Å; N528-A530 PolarHBondContact OD1-N 3.5Å; N528-D531 WeakPolarHBondContact CB-OD2 2.76Å; N528-D531 PolarHBondContact ND2-OD1 3.48Å; N528-D531 PolarHBondContact ND2-OD2 3.45Å; N528-D531 PolarHBondContact O-N 2.65Å; N528-V704 HydrophobicContact CB-CG1 4.4Å; N528-S705 PolarHBondContact ND2-O 3.36Å; N528-S705 PolarHBondContact ND2-OG 2.85Å
529	V	94.9	Very high	93.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-68.6	-28.5	-175.4	172.1	0	0	0	0	112.1	I526 D531 W532 L656 Q657 F780 I781 K784	I526-V529 HydrophobicContact CG2-CG2 4.14Å; V529-D531 PolarHBondContact O-N 3.31Å; V529-W532 PolarHBondContact O-N 3.48Å; V529-L656 HydrophobicContact CG1-CB 4.01Å; V529-L656 HydrophobicContact CG1-CD2 4.05Å; V529-L656 HydrophobicContact CG1-CG 3.91Å; V529-Q657 HydrophobicContact CG1-CB 3.93Å; V529-F780 HydrophobicContact CG2-CE1 3.85Å; V529-F780 HydrophobicContact CG2-CZ 4.19Å; V529-I781 HydrophobicContact CG1-CG1 4.18Å; V529-I781 HydrophobicContact CG1-CG2 4.28Å; V529-K784 HydrophobicContact CB-CB 4.38Å; V529-K784 HydrophobicContact CG2-CB 3.48Å; V529-K784 VanDerWaalsContact CG2-CB 3.48Å; V529-K784 HydrophobicContact CG2-CG 3.74Å
530	A	93.4	Very high	93.5	Very high	29 Å²	29	34.3 Å²	34.3	24%	0.24	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-66.1	-21	-178.1	0	0	0	0	0	114.1	N528 W532 Q657	N528-A530 VanDerWaalsContact C-N 3.28Å; N528-A530 PolarHBondContact O-N 3.15Å; N528-A530 PolarHBondContact OD1-N 3.5Å; A530-W532 VanDerWaalsContact C-N 3.29Å; A530-Q657 VanDerWaalsContact CA-OE1 3.31Å
531	D	95.4	Very high	93.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.032	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-84.3	-6.3	179.8	-61.2	-32.4	0	0	0	113	N528 V529 E698 L699 V704 S705	N528-D531 WeakPolarHBondContact CB-OD2 2.76Å; N528-D531 PolarHBondContact ND2-OD1 3.48Å; N528-D531 PolarHBondContact ND2-OD2 3.45Å; N528-D531 PolarHBondContact O-N 2.65Å; V529-D531 PolarHBondContact O-N 3.31Å; D531-E698 PolarHBondContact O-N 2.9Å; D531-L699 HydrophobicContact CB-CD1 4.29Å; D531-L699 HydrophobicContact CB-CG 4.43Å; D531-L699 WeakPolarHBondContact OD1-CD1 3.31Å; D531-V704 WeakPolarHBondContact OD2-CA 3.38Å; D531-S705 WeakPolarHBondContact OD1-CB 3.16Å; D531-S705 PolarHBondContact OD1-N 3.33Å; D531-S705 PolarHBondContact OD1-OG 3.32Å; D531-S705 PolarHBondContact OD2-N 2.89Å
532	W	97.3	Very high	92.7	Very high	19 Å²	19	36.5 Å²	36.5	7%	0.072	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.9	-171.1	-71.6	74	0	0	0	112.4	I526 V529 A530 L656 M695 F696 C697 L750	I526-W532 HydrophobicContact CD1-CD2 4.36Å; I526-W532 HydrophobicContact CG1-CD2 4.09Å; I526-W532 HydrophobicContact CG1-CZ2 4.09Å; I526-W532 HydrophobicContact CG2-CG 4.17Å; V529-W532 PolarHBondContact O-N 3.48Å; A530-W532 VanDerWaalsContact C-N 3.29Å; W532-L656 HydrophobicContact CB-CB 3.88Å; W532-L656 HydrophobicContact CB-CD2 3.68Å; W532-L656 HydrophobicContact CB-CG 4.43Å; W532-L656 HydrophobicContact CG-CD2 4.33Å; W532-L656 VanDerWaalsContact O-CB 3.28Å; W532-L656 WeakPolarHBondContact O-CB 3.1Å; W532-L656 PolarHBondContact O-N 2.74Å; W532-M695 HydrophobicContact CE3-CB 3.91Å; W532-M695 HydrophobicContact CZ3-CB 4.19Å; W532-F696 WeakPolarHBondContact CA-O 3.39Å; W532-F696 VanDerWaalsContact CE3-C 3.47Å; W532-C697 HydrophobicContact CD2-CB 4.02Å; W532-C697 HydrophobicContact CE3-CB 4.19Å; W532-C697 HydrophobicContact CH2-CB 3.95Å; W532-C697 HydrophobicContact CZ2-CB 3.75Å; W532-C697 HydrophobicContact CZ3-CB 4.15Å; W532-L750 HydrophobicContact CE3-CD1 4.28Å; W532-L750 HydrophobicContact CH2-CD1 3.43Å; W532-L750 VanDerWaalsContact CH2-CD1 3.43Å; W532-L750 HydrophobicContact CH2-CD2 4.34Å; W532-L750 HydrophobicContact CH2-CG 3.68Å; W532-L750 HydrophobicContact CZ2-CD1 4.23Å; W532-L750 HydrophobicContact CZ3-CD1 3.48Å; W532-L750 VanDerWaalsContact CZ3-CD1 3.48Å; W532-L750 HydrophobicContact CZ3-CG 3.6Å
533	Y	98.1	Very high	92.2	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.5	174.8	-60.2	-101.5	0	0	0	108.9	Y621 R622 L653 F654 R655 M695 F696 E698	Y533-Y621 HydrophobicContact CD2-CD1 4.17Å; Y533-Y621 HydrophobicContact CD2-CE1 4.28Å; Y533-Y621 HydrophobicContact CG-CD1 4.46Å; Y533-Y621 HydrophobicContact CG-CE1 4.16Å; Y533-R622 HydrophobicContact CE1-CG 4.18Å; Y533-R622 HydrophobicContact CE2-CG 4.46Å; Y533-R622 WeakPolarHBondContact OH-CD 3.38Å; Y533-R622 PolarHBondContact OH-NH1 3.48Å; Y533-R622 VanDerWaalsContact OH-NH1 3.16Å; Y533-L653 HydrophobicContact CD1-CD1 4.49Å; Y533-L653 HydrophobicContact CD1-CD2 3.92Å; Y533-L653 HydrophobicContact CD1-CG 4.06Å; Y533-L653 HydrophobicContact CG-CD1 4.44Å; Y533-L653 HydrophobicContact CG-CD2 4.43Å; Y533-L653 HydrophobicContact CG-CG 4.5Å; Y533-F654 CarbonylContact C-O 3.52Å; Y533-F654 WeakPolarHBondContact CA-O 3Å; Y533-F654 WeakPolarHBondContact CB-O 3.25Å; Y533-R655 HydrophobicContact CD1-CG 3.93Å; Y533-R655 HydrophobicContact CE1-CG 3.59Å; Y533-M695 CarbonylContact O-C 3.17Å; Y533-M695 VanDerWaalsContact O-CA 3.23Å; Y533-M695 WeakPolarHBondContact O-CA 3.46Å; Y533-F696 PolarHBondContact N-O 3.33Å; Y533-F696 PolarHBondContact O-N 3.01Å; Y533-E698 HydrophobicContact CD2-CB 4.19Å; Y533-E698 HydrophobicContact CE2-CB 3.74Å; Y533-E698 HydrophobicContact CE2-CG 4.42Å; Y533-E698 WeakPolarHBondContact CE2-OE2 3.26Å; Y533-E698 PolarHBondContact OH-OE2 3.24Å
534	F	98.1	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.5	174	70.7	-89.4	0	0	0	112.6	F654 R655 L656 M659 F662 I693 M694 M695	F534-F654 HydrophobicContact CD1-CB 3.98Å; F534-F654 HydrophobicContact CD2-CB 4.23Å; F534-F654 HydrophobicContact CD2-CD2 4.43Å; F534-F654 HydrophobicContact CE1-CB 3.51Å; F534-F654 HydrophobicContact CE2-CB 3.79Å; F534-F654 AromaticContact CE2-CD2 3.95Å; F534-F654 HydrophobicContact CE2-CD2 3.95Å; F534-F654 HydrophobicContact CE2-CG 4.05Å; F534-F654 HydrophobicContact CG-CB 4.32Å; F534-F654 HydrophobicContact CZ-CB 3.4Å; F534-F654 HydrophobicContact CZ-CD2 4.32Å; F534-F654 AromaticContact CZ-CG 3.94Å; F534-F654 HydrophobicContact CZ-CG 3.94Å; F534-F654 PolarHBondContact N-O 2.87Å; F534-F654 PolarHBondContact O-N 2.91Å; F534-R655 WeakPolarHBondContact CE1-O 3.41Å; F534-L656 HydrophobicContact CD1-CB 4.47Å; F534-L656 HydrophobicContact CD1-CD1 4.03Å; F534-M659 HydrophobicContact CE1-CB 4.13Å; F534-M659 HydrophobicContact CE1-CE 4.33Å; F534-M659 HydrophobicContact CE1-CG 4.49Å; F534-M659 HydrophobicContact CZ-CB 4.28Å; F534-M659 HydrophobicContact CZ-CG 4.29Å; F534-F662 HydrophobicContact CE2-CB 3.87Å; F534-F662 AromaticContact CE2-CD1 3.71Å; F534-F662 HydrophobicContact CE2-CD1 3.71Å; F534-F662 HydrophobicContact CE2-CD2 4.14Å; F534-F662 HydrophobicContact CE2-CE1 4.3Å; F534-F662 AromaticContact CE2-CG 3.61Å; F534-F662 HydrophobicContact CE2-CG 3.61Å; F534-F662 HydrophobicContact CZ-CB 3.62Å; F534-F662 HydrophobicContact CZ-CD1 4.08Å; F534-F662 AromaticContact CZ-CG 3.9Å; F534-F662 HydrophobicContact CZ-CG 3.9Å; F534-I693 HydrophobicContact CB-CD1 4.33Å; F534-I693 HydrophobicContact CD2-CB 3.94Å; F534-I693 HydrophobicContact CD2-CD1 3.98Å; F534-I693 HydrophobicContact CD2-CG2 3.84Å; F534-I693 HydrophobicContact CE2-CD1 4.47Å; F534-I693 HydrophobicContact CE2-CG2 4.14Å; F534-I693 HydrophobicContact CG-CD1 4.09Å; F534-M694 CarbonylContact C-O 3.51Å; F534-M694 WeakPolarHBondContact CA-O 3.29Å; F534-M694 WeakPolarHBondContact CB-O 3.46Å; F534-M695 HydrophobicContact CB-CB 4.44Å; F534-M695 HydrophobicContact CB-CG 3.81Å
535	V	97.7	Very high	91.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.2	172.8	-58.5	0	0	0	0	109.8	V537 I606 K651 L653 I693 M694 F696	V535-V537 HydrophobicContact CG2-CG1 4.45Å; V535-I606 HydrophobicContact CG2-CG1 4.39Å; V535-I606 HydrophobicContact CG2-CG2 3.94Å; V535-K651 HydrophobicContact CB-CB 3.95Å; V535-K651 HydrophobicContact CG1-CB 4.1Å; V535-L653 HydrophobicContact CG1-CD1 3.86Å; V535-I693 WeakPolarHBondContact O-CA 3.43Å; V535-M694 HydrophobicContact CG2-CB 4.24Å; V535-M694 PolarHBondContact N-O 3Å; V535-M694 PolarHBondContact O-N 3.11Å; V535-F696 HydrophobicContact CG2-CE2 4.02Å
536	P	96.8	Very high	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.5	172.5	30	-34.8	0	0	0	111.8	K651 P652 F662 F688 P690	P536-K651 VanDerWaalsContact O-CD 3.28Å; P536-K651 WeakPolarHBondContact O-CD 3.36Å; P536-K651 WeakPolarHBondContact O-CE 3.07Å; P536-K651 PolarHBondContact O-NZ 3.44Å; P536-P652 WeakPolarHBondContact CD-O 3.49Å; P536-P652 HydrophobicContact CG-CG 3.94Å; P536-F662 HydrophobicContact CB-CE2 3.61Å; P536-F662 HydrophobicContact CB-CZ 3.71Å; P536-F662 HydrophobicContact CG-CE2 3.8Å; P536-F662 HydrophobicContact CG-CZ 4.41Å; P536-F688 HydrophobicContact CB-CE2 4.42Å; P536-F688 HydrophobicContact CB-CZ 3.78Å; P536-F688 HydrophobicContact CG-CE1 4.42Å; P536-F688 HydrophobicContact CG-CZ 3.76Å; P536-P690 HydrophobicContact CB-CB 4.2Å; P536-P690 HydrophobicContact CB-CG 4.16Å
537	V	96.4	Very high	91.4	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.8	177.2	-66.8	0	0	0	0	110.6	V535 I606 P690 G691 G692 M694 L751	V535-V537 HydrophobicContact CG2-CG1 4.45Å; V537-I606 HydrophobicContact CG1-CD1 4.46Å; V537-P690 CarbonylContact O-C 3.53Å; V537-P690 WeakPolarHBondContact O-CA 3.42Å; V537-P690 WeakPolarHBondContact O-CB 3.43Å; V537-G691 PolarHBondContact O-N 2.92Å; V537-G692 VanDerWaalsContact CG2-C 3.46Å; V537-G692 WeakPolarHBondContact CG2-O 3.45Å; V537-G692 PolarHBondContact N-O 2.57Å; V537-G692 PolarHBondContact O-N 3.3Å; V537-M694 HydrophobicContact CG1-CB 3.79Å; V537-M694 HydrophobicContact CG1-CE 3.77Å; V537-L751 HydrophobicContact CG2-CD1 3.98Å
538	G	92.9	Very high	91.7	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	165.5	177.5	0	0	0	0	0	112.5	Q585	G538-Q585 PolarHBondContact O-NE2 2.79Å
539	R	87.4	Confident	91.9	Very high	77 Å²	77	31.9 Å²	31.9	29%	0.291	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-65.5	131.5	175	-67.9	172.7	164.5	-151.1	-13.5	110.8	E541 R677 V689	R539-E541 HydrophobicContact CB-CG 4.05Å; R539-E541 PolarHBondContact O-N 2.85Å; R539-R677 VanDerWaalsContact NH2-CD 3.33Å; R539-V689 VanDerWaalsContact NE-CG1 3.34Å
540	E	84.1	Confident	92.1	Very high	91 Å²	91	31.8 Å²	31.8	43%	0.425	17%	0.167	S	C	.	.			trans	-79.2	63.9	174.3	-61.9	179.6	156.4	0	0	109.9	T542 A546 K753	E540-T542 PolarHBondContact O-N 2.93Å; E540-A546 HydrophobicContact CG-CB 4.45Å; E540-K753 IonicContact OE2-NZ 3.71Å; E540-K753 PolarHBondContact OE2-NZ 3.18Å
541	E	81.5	Confident	92.3	Very high	102 Å²	102	30.4 Å²	30.4	48%	0.477	16%	0.155	S	C	.	.	S	Bend	trans	-62	-36.2	-179.3	-65.2	178.2	-165.6	0	0	111.7	R539	R539-E541 HydrophobicContact CB-CG 4.05Å; R539-E541 PolarHBondContact O-N 2.85Å
542	T	82.3	Confident	92.5	Very high	66 Å²	66	30.1 Å²	30.1	41%	0.405	15%	0.154	S	C	.	.	S	Bend	trans	-138.2	165.1	173.3	72.1	0	0	0	0	109.7	E540 I544 N545	E540-T542 PolarHBondContact O-N 2.93Å; T542-I544 PolarHBondContact O-N 2.92Å; T542-I544 VanDerWaalsContact O-N 3.09Å; T542-I544 PolarHBondContact OG1-N 3.17Å; T542-N545 PolarHBondContact N-OD1 3.43Å; T542-N545 WeakPolarHBondContact O-CB 3.39Å; T542-N545 PolarHBondContact O-N 3.41Å; T542-N545 PolarHBondContact OG1-OD1 3.06Å
543	N	81.7	Confident	92.4	Very high	103 Å²	103	30.4 Å²	30.4	55%	0.551	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-58.2	-23.8	174.4	-74.2	1.8	0	0	0	113	N545 A546 R560	N543-N545 VanDerWaalsContact C-N 3.29Å; N543-A546 PolarHBondContact O-N 3.37Å; N543-R560 PolarHBondContact O-NH1 3.42Å; N543-R560 PolarHBondContact O-NH2 3.28Å
544	I	82.5	Confident	92.1	Very high	95 Å²	95	30.9 Å²	30.9	49%	0.487	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-68.4	-33.5	176.1	-62.3	171.4	0	0	0	110.6	T542 A546 I586	T542-I544 PolarHBondContact O-N 2.92Å; T542-I544 VanDerWaalsContact O-N 3.09Å; T542-I544 PolarHBondContact OG1-N 3.17Å; I544-A546 VanDerWaalsContact C-N 3.3Å; I544-A546 PolarHBondContact O-N 2.91Å; I544-I586 HydrophobicContact CG2-CD1 4.26Å
545	N	87.2	Confident	91.6	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-82.2	-3.5	-179.9	-56.1	108.6	0	0	0	113.4	T542 N543 Q585 I586	T542-N545 PolarHBondContact N-OD1 3.43Å; T542-N545 WeakPolarHBondContact O-CB 3.39Å; T542-N545 PolarHBondContact O-N 3.41Å; T542-N545 PolarHBondContact OG1-OD1 3.06Å; N543-N545 VanDerWaalsContact C-N 3.29Å; N545-Q585 WeakPolarHBondContact O-CG 3.45Å; N545-Q585 PolarHBondContact O-NE2 2.97Å; N545-I586 WeakPolarHBondContact CA-O 3.49Å; N545-I586 PolarHBondContact ND2-O 2.84Å
546	A	91.9	Very high	91.1	Very high	10 Å²	10	42.6 Å²	42.6	8%	0.083	21%	0.214	C	C	.	.	S	Bend	trans	-70.7	142.7	175.2	0	0	0	0	0	111.5	E540 N543 I544 S548 R560	E540-A546 HydrophobicContact CG-CB 4.45Å; N543-A546 PolarHBondContact O-N 3.37Å; I544-A546 VanDerWaalsContact C-N 3.3Å; I544-A546 PolarHBondContact O-N 2.91Å; A546-S548 PolarHBondContact O-N 3.04Å; A546-R560 PolarHBondContact O-NH2 3.14Å
547	C	96	Very high	91	Very high	31 Å²	31	45.6 Å²	45.6	21%	0.209	23%	0.23	C	C	.	.			trans	-57.7	132.1	176.2	-66.3	0	0	0	0	110.2	F583 G584 M694	C547-F583 HydrophobicContact CB-CE2 3.81Å; C547-F583 HydrophobicContact CB-CZ 3.61Å; C547-G584 CarbonylContact C-O 3.55Å; C547-G584 VanDerWaalsContact CA-O 3.29Å; C547-G584 WeakPolarHBondContact CA-O 3.41Å; C547-M694 HydrophobicContact CB-CE 4.47Å
548	S	96.4	Very high	91.1	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.063	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	166.7	-173.4	179.8	0	0	0	0	112.1	A546 F550 R560 Y561 F583 G584	A546-S548 PolarHBondContact O-N 3.04Å; S548-F550 WeakPolarHBondContact O-CD2 3.05Å; S548-F550 WeakPolarHBondContact O-CE2 3.43Å; S548-R560 WeakPolarHBondContact OG-CG 3.3Å; S548-Y561 PolarHBondContact OG-N 3.49Å; S548-Y561 PolarHBondContact OG-O 2.92Å; S548-F583 VanDerWaalsContact C-CD2 3.49Å; S548-F583 WeakPolarHBondContact O-CA 3.29Å; S548-F583 WeakPolarHBondContact O-CD2 3.32Å; S548-G584 PolarHBondContact N-O 3.18Å; S548-G584 PolarHBondContact O-N 2.54Å
549	L	98.1	Very high	91.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.5	167.3	-66.7	167.3	0	0	0	110	W508 L509 Y561 W567 F582 F583 F742 F746	W508-L549 HydrophobicContact CZ3-CD1 4.47Å; L509-L549 HydrophobicContact CB-CD1 4.03Å; L509-L549 HydrophobicContact CD2-CD1 3.49Å; L509-L549 VanDerWaalsContact CD2-CD1 3.49Å; L509-L549 HydrophobicContact CG-CD1 4.34Å; L549-Y561 PolarHBondContact O-N 2.94Å; L549-W567 HydrophobicContact CB-CH2 3.95Å; L549-W567 WeakPolarHBondContact O-CZ3 3.43Å; L549-F582 CarbonylContact C-O 3.53Å; L549-F582 WeakPolarHBondContact CA-O 3.35Å; L549-F583 HydrophobicContact CD2-CB 4.1Å; L549-F583 HydrophobicContact CD2-CD2 4.37Å; L549-F742 HydrophobicContact CD2-CE1 4.15Å; L549-F742 HydrophobicContact CD2-CZ 3.73Å; L549-F746 HydrophobicContact CD2-CE2 4.38Å; L549-F746 HydrophobicContact CG-CE2 4.44Å
550	F	98.5	Very high	91.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.7	175.8	-67.4	-94.2	0	0	0	109.6	S548 L558 L559 R560 V570 I581 F582 I586 L603	S548-F550 WeakPolarHBondContact O-CD2 3.05Å; S548-F550 WeakPolarHBondContact O-CE2 3.43Å; F550-L558 HydrophobicContact CB-CD1 4.11Å; F550-L558 HydrophobicContact CD1-CD1 4.31Å; F550-L558 HydrophobicContact CD1-CD2 4.2Å; F550-L558 HydrophobicContact CD1-CG 4.22Å; F550-L559 CarbonylContact C-O 3.52Å; F550-L559 WeakPolarHBondContact CA-O 3.43Å; F550-R560 HydrophobicContact CD1-CB 4.15Å; F550-R560 HydrophobicContact CE1-CB 3.94Å; F550-R560 HydrophobicContact CE1-CG 4.03Å; F550-R560 HydrophobicContact CZ-CG 4.2Å; F550-V570 HydrophobicContact CD1-CG2 4.16Å; F550-V570 HydrophobicContact CE1-CG2 3.99Å; F550-I581 VanDerWaalsContact O-CA 3.23Å; F550-I581 WeakPolarHBondContact O-CA 3.4Å; F550-F582 HydrophobicContact CB-CD2 4.06Å; F550-F582 HydrophobicContact CB-CE1 4.26Å; F550-F582 HydrophobicContact CB-CE2 3.59Å; F550-F582 HydrophobicContact CB-CZ 3.71Å; F550-F582 HydrophobicContact CD2-CD2 4.34Å; F550-F582 AromaticContact CD2-CE2 3.98Å; F550-F582 HydrophobicContact CD2-CE2 3.98Å; F550-F582 AromaticContact CG-CE2 3.92Å; F550-F582 HydrophobicContact CG-CE2 3.92Å; F550-F582 HydrophobicContact CG-CZ 4.33Å; F550-F582 PolarHBondContact N-O 3.3Å; F550-F582 PolarHBondContact O-N 3.42Å; F550-F582 VanDerWaalsContact O-N 3.09Å; F550-I586 HydrophobicContact CE1-CD1 4.03Å; F550-I586 HydrophobicContact CE1-CG1 4.13Å; F550-I586 HydrophobicContact CZ-CD1 4.28Å; F550-I586 HydrophobicContact CZ-CG1 4Å; F550-L603 HydrophobicContact CD1-CD1 4.26Å; F550-L603 HydrophobicContact CD2-CD1 4.29Å; F550-L603 HydrophobicContact CE1-CD1 3.9Å; F550-L603 HydrophobicContact CE2-CD1 3.97Å; F550-L603 HydrophobicContact CG-CD1 4.44Å; F550-L603 HydrophobicContact CZ-CD1 3.76Å
551	L	98.5	Very high	92.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.3	176.8	172.3	71.2	0	0	0	108.6	T491 L494 L495 L498 K553 L559 W567 S580 I581	T491-L551 HydrophobicContact CG2-CD2 3.8Å; L494-L551 HydrophobicContact CD2-CD1 4.01Å; L494-L551 HydrophobicContact CD2-CG 4.43Å; L494-L551 HydrophobicContact CG-CD1 4.37Å; L495-L551 HydrophobicContact CD1-CD2 4.37Å; L495-L551 HydrophobicContact CD2-CD1 4.31Å; L495-L551 HydrophobicContact CD2-CD2 3.85Å; L495-L551 HydrophobicContact CG-CD2 3.82Å; L498-L551 HydrophobicContact CD1-CD1 3.63Å; L551-K553 HydrophobicContact CD2-CG 4.47Å; L551-K553 HydrophobicContact CG-CG 4.48Å; L551-L559 HydrophobicContact CB-CB 4.46Å; L551-L559 HydrophobicContact CD2-CD1 4.42Å; L551-L559 PolarHBondContact N-O 3.1Å; L551-L559 PolarHBondContact O-N 3.12Å; L551-W567 HydrophobicContact CB-CE3 3.83Å; L551-W567 HydrophobicContact CB-CH2 3.79Å; L551-W567 HydrophobicContact CB-CZ3 3.39Å; L551-S580 CarbonylContact C-O 3.45Å; L551-S580 WeakPolarHBondContact CA-O 3.49Å; L551-I581 HydrophobicContact CD1-CB 4.18Å
552	C	98.1	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122	173.1	-167.8	0	0	0	0	111.6	L558 V576 Q577 R579 S580	C552-L558 HydrophobicContact CB-CD1 4.08Å; C552-V576 HydrophobicContact CB-CB 4.11Å; C552-V576 HydrophobicContact CB-CG1 3.58Å; C552-V576 PolarHBondContact SG-O 3.32Å; C552-Q577 WeakPolarHBondContact CB-O 3.26Å; C552-R579 PolarHBondContact O-N 2.96Å; C552-S580 PolarHBondContact N-O 2.84Å
553	K	95.7	Very high	93.3	Very high	25 Å²	25	38.9 Å²	38.9	11%	0.109	20%	0.195	C	C	.	.			trans	-96.3	175.9	174.5	-61	178.7	62.9	176.2	0	110.9	K489 T491 L494 L551 N557 L559 P578	K489-K553 WeakPolarHBondContact O-CE 3.29Å; K489-K553 PolarHBondContact O-NZ 2.9Å; K489-K553 VanDerWaalsContact O-NZ 3.16Å; T491-K553 PolarHBondContact OG1-NZ 3.26Å; L494-K553 HydrophobicContact CD2-CB 4.31Å; L494-K553 HydrophobicContact CD2-CG 3.74Å; L551-K553 HydrophobicContact CD2-CG 4.47Å; L551-K553 HydrophobicContact CG-CG 4.48Å; K553-N557 HydrophobicContact CB-CB 4Å; K553-N557 PolarHBondContact N-O 3.01Å; K553-L559 HydrophobicContact CD-CD1 3.64Å; K553-L559 HydrophobicContact CD-CG 4.31Å; K553-L559 HydrophobicContact CG-CD1 4.35Å; K553-P578 WeakPolarHBondContact O-CB 3.37Å; K553-P578 WeakPolarHBondContact O-CG 3.31Å
554	S	92.1	Very high	93.8	Very high	20 Å²	20	40.6 Å²	40.6	14%	0.14	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-52.2	149.5	172.4	57.6	0	0	0	0	112.2	N488 G556	N488-S554 PolarHBondContact OD1-OG 3.46Å; S554-G556 VanDerWaalsContact C-N 3.34Å
555	R	87.6	Confident	94.2	Very high	216 Å²	216	42.6 Å²	42.6	82%	0.815	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	65.1	29.4	-178.9	-50.8	-179.3	178.6	179.3	-2.5	114.4	N557	R555-N557 PolarHBondContact O-N 2.93Å
556	G	88	Confident	94.6	Very high	31 Å²	31	48.8 Å²	48.8	32%	0.32	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	69.6	16.1	177	0	0	0	0	0	114.9	S554 L558	S554-G556 VanDerWaalsContact C-N 3.34Å; G556-L558 PolarHBondContact O-N 3.16Å
557	N	94.7	Very high	94.8	Very high	63 Å²	63	50.6 Å²	50.6	34%	0.337	24%	0.236	S	C	.	.			trans	-71.3	91.6	178.7	-81.8	-14.8	0	0	0	110.2	K553 R555	K553-N557 HydrophobicContact CB-CB 4Å; K553-N557 PolarHBondContact N-O 3.01Å; R555-N557 PolarHBondContact O-N 2.93Å
558	L	98	Very high	94.9	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.6	176.7	-173.7	67	0	0	0	110.6	F550 C552 G556 V570 F574 V576 F582 L603	F550-L558 HydrophobicContact CB-CD1 4.11Å; F550-L558 HydrophobicContact CD1-CD1 4.31Å; F550-L558 HydrophobicContact CD1-CD2 4.2Å; F550-L558 HydrophobicContact CD1-CG 4.22Å; C552-L558 HydrophobicContact CB-CD1 4.08Å; G556-L558 PolarHBondContact O-N 3.16Å; L558-V570 HydrophobicContact CB-CB 4.4Å; L558-V570 HydrophobicContact CD2-CB 4.2Å; L558-V570 HydrophobicContact CD2-CG1 4.37Å; L558-V570 HydrophobicContact CD2-CG2 4.08Å; L558-V570 HydrophobicContact CG-CB 4.31Å; L558-V570 HydrophobicContact CG-CG2 3.99Å; L558-V570 PolarHBondContact O-N 2.97Å; L558-F574 HydrophobicContact CD2-CB 4.11Å; L558-F574 HydrophobicContact CD2-CD2 3.87Å; L558-F574 HydrophobicContact CD2-CG 4.39Å; L558-V576 HydrophobicContact CD1-CB 4.31Å; L558-V576 HydrophobicContact CD1-CG1 4.33Å; L558-V576 HydrophobicContact CD1-CG2 4.19Å; L558-V576 HydrophobicContact CD2-CG2 4.24Å; L558-F582 HydrophobicContact CD1-CZ 4.43Å; L558-L603 HydrophobicContact CD2-CD2 3.68Å
559	L	98.1	Very high	94.9	Very high	17 Å²	17	58 Å²	58	9%	0.089	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.2	176.1	-52.3	-177.1	0	0	0	110.3	T491 F550 L551 K553 W567 E568 L569	T491-L559 HydrophobicContact CG2-CD1 3.84Å; F550-L559 CarbonylContact C-O 3.52Å; F550-L559 WeakPolarHBondContact CA-O 3.43Å; L551-L559 HydrophobicContact CB-CB 4.46Å; L551-L559 HydrophobicContact CD2-CD1 4.42Å; L551-L559 PolarHBondContact N-O 3.1Å; L551-L559 PolarHBondContact O-N 3.12Å; K553-L559 HydrophobicContact CD-CD1 3.64Å; K553-L559 HydrophobicContact CD-CG 4.31Å; K553-L559 HydrophobicContact CG-CD1 4.35Å; L559-W567 HydrophobicContact CB-CB 4.31Å; L559-W567 HydrophobicContact CB-CE3 3.88Å; L559-W567 HydrophobicContact CD1-CB 4.09Å; L559-E568 CarbonylContact C-O 3.53Å; L559-E568 WeakPolarHBondContact CA-O 3.04Å; L559-L569 HydrophobicContact CD2-CB 4.23Å; L559-L569 HydrophobicContact CD2-CD1 3.97Å
560	R	97.4	Very high	94.8	Very high	24 Å²	24	58.9 Å²	58.9	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.5	172.9	177.7	-179.9	172.9	-89.8	-5.7	109.9	N543 A546 S548 F550 W567 E568 V570	N543-R560 PolarHBondContact O-NH1 3.42Å; N543-R560 PolarHBondContact O-NH2 3.28Å; A546-R560 PolarHBondContact O-NH2 3.14Å; S548-R560 WeakPolarHBondContact OG-CG 3.3Å; F550-R560 HydrophobicContact CD1-CB 4.15Å; F550-R560 HydrophobicContact CE1-CB 3.94Å; F550-R560 HydrophobicContact CE1-CG 4.03Å; F550-R560 HydrophobicContact CZ-CG 4.2Å; R560-W567 WeakPolarHBondContact O-CA 3.35Å; R560-E568 PolarHBondContact N-O 3Å; R560-E568 PolarHBondContact O-N 3.38Å; R560-V570 HydrophobicContact CB-CG2 3.81Å
561	Y	97.1	Very high	94.6	Very high	24 Å²	24	67.9 Å²	67.9	9%	0.094	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.2	173.8	-167.1	-114.4	0	0	0	111.1	L509 S548 L549 K565 K566 W567	L509-Y561 HydrophobicContact CB-CD1 4.31Å; L509-Y561 HydrophobicContact CB-CE1 3.72Å; S548-Y561 PolarHBondContact OG-N 3.49Å; S548-Y561 PolarHBondContact OG-O 2.92Å; L549-Y561 PolarHBondContact O-N 2.94Å; Y561-K565 HydrophobicContact CE2-CB 4.47Å; Y561-K565 WeakPolarHBondContact OH-CA 3.42Å; Y561-K565 VanDerWaalsContact OH-CB 3.31Å; Y561-K565 WeakPolarHBondContact OH-CB 3.3Å; Y561-K566 CarbonylContact C-O 2.98Å; Y561-K566 WeakPolarHBondContact CA-O 3.15Å; Y561-W567 AromaticContact CD2-CD2 3.97Å; Y561-W567 HydrophobicContact CD2-CD2 3.97Å; Y561-W567 AromaticContact CD2-CE2 3.61Å; Y561-W567 HydrophobicContact CD2-CG 4.24Å; Y561-W567 HydrophobicContact CD2-CZ2 4.01Å; Y561-W567 AromaticContact CD2-NE1 3.61Å; Y561-W567 AromaticContact CE2-NE1 3.96Å; Y561-W567 HydrophobicContact CG-CZ2 4.35Å
562	T	94	Very high	94.3	Very high	11 Å²	11	70.6 Å²	70.6	7%	0.067	33%	0.334	C	S	.	.			trans	-97.2	163.8	-173.8	69.2	0	0	0	0	112.2	H564 K565 K566 E568	T562-H564 PolarHBondContact O-N 2.79Å; T562-H564 VanDerWaalsContact O-N 3.17Å; T562-K565 WeakPolarHBondContact O-CA 3.01Å; T562-K565 PolarHBondContact O-N 3.43Å; T562-K566 PolarHBondContact N-O 3.21Å; T562-K566 PolarHBondContact OG1-O 3.1Å; T562-E568 HydrophobicContact CG2-CB 3.95Å; T562-E568 HydrophobicContact CG2-CG 3.86Å; T562-E568 WeakPolarHBondContact CG2-OE1 3.45Å; T562-E568 WeakPolarHBondContact CG2-OE2 3.27Å; T562-E568 PolarHBondContact OG1-OE1 3.47Å
563	E	88.8	Confident	94.1	Very high	124 Å²	124	72.9 Å²	72.9	58%	0.579	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26	175.6	-63.8	177.5	174	0	0	112.2	K565	E563-K565 PolarHBondContact O-N 2.8Å
564	H	91	Very high	94.1	Very high	140 Å²	140	72.1 Å²	72.1	65%	0.648	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	9.6	172.6	-55.1	-50	0	0	0	113.7	T562 K566	T562-H564 PolarHBondContact O-N 2.79Å; T562-H564 VanDerWaalsContact O-N 3.17Å; H564-K566 VanDerWaalsContact C-N 3.3Å; H564-K566 PolarHBondContact O-N 2.83Å
565	K	92.1	Very high	94.2	Very high	136 Å²	136	72.9 Å²	72.9	59%	0.591	35%	0.351	S	S	*	.	S	Bend	trans	60.5	37	180	-56.1	-179.7	-178.6	179.5	0	113	S510 Y561 T562 E563	S510-K565 WeakPolarHBondContact OG-CE 3.43Å; Y561-K565 HydrophobicContact CE2-CB 4.47Å; Y561-K565 WeakPolarHBondContact OH-CA 3.42Å; Y561-K565 VanDerWaalsContact OH-CB 3.31Å; Y561-K565 WeakPolarHBondContact OH-CB 3.3Å; T562-K565 WeakPolarHBondContact O-CA 3.01Å; T562-K565 PolarHBondContact O-N 3.43Å; E563-K565 PolarHBondContact O-N 2.8Å
566	K	94.4	Very high	94.7	Very high	133 Å²	133	62.6 Å²	62.6	58%	0.578	31%	0.313	S	S	*	.			trans	-121.8	153.9	179.5	-67.6	-178.6	-177.7	178.8	0	111.2	Y561 T562 H564	Y561-K566 CarbonylContact C-O 2.98Å; Y561-K566 WeakPolarHBondContact CA-O 3.15Å; T562-K566 PolarHBondContact N-O 3.21Å; T562-K566 PolarHBondContact OG1-O 3.1Å; H564-K566 VanDerWaalsContact C-N 3.3Å; H564-K566 PolarHBondContact O-N 2.83Å
567	W	96.8	Very high	95.1	Very high	48 Å²	48	61.7 Å²	61.7	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117	170.1	-69.3	95	0	0	0	109.2	T491 L495 L549 L551 L559 R560 Y561 I581	T491-W567 HydrophobicContact CG2-CB 4.14Å; T491-W567 HydrophobicContact CG2-CG 4.07Å; L495-W567 HydrophobicContact CD1-CZ2 4.27Å; L495-W567 HydrophobicContact CD2-CH2 4.37Å; L495-W567 HydrophobicContact CD2-CZ2 3.64Å; L549-W567 HydrophobicContact CB-CH2 3.95Å; L549-W567 WeakPolarHBondContact O-CZ3 3.43Å; L551-W567 HydrophobicContact CB-CE3 3.83Å; L551-W567 HydrophobicContact CB-CH2 3.79Å; L551-W567 HydrophobicContact CB-CZ3 3.39Å; L559-W567 HydrophobicContact CB-CB 4.31Å; L559-W567 HydrophobicContact CB-CE3 3.88Å; L559-W567 HydrophobicContact CD1-CB 4.09Å; R560-W567 WeakPolarHBondContact O-CA 3.35Å; Y561-W567 AromaticContact CD2-CD2 3.97Å; Y561-W567 HydrophobicContact CD2-CD2 3.97Å; Y561-W567 AromaticContact CD2-CE2 3.61Å; Y561-W567 HydrophobicContact CD2-CG 4.24Å; Y561-W567 HydrophobicContact CD2-CZ2 4.01Å; Y561-W567 AromaticContact CD2-NE1 3.61Å; Y561-W567 AromaticContact CE2-NE1 3.96Å; Y561-W567 HydrophobicContact CG-CZ2 4.35Å; W567-I581 HydrophobicContact CH2-CD1 4.29Å
568	E	96.7	Very high	95.2	Very high	89 Å²	89	59.7 Å²	59.7	42%	0.416	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.7	-177.8	-70.5	170.9	-152.3	0	0	110.3	L559 R560 T562	L559-E568 CarbonylContact C-O 3.53Å; L559-E568 WeakPolarHBondContact CA-O 3.04Å; R560-E568 PolarHBondContact N-O 3Å; R560-E568 PolarHBondContact O-N 3.38Å; T562-E568 HydrophobicContact CG2-CB 3.95Å; T562-E568 HydrophobicContact CG2-CG 3.86Å; T562-E568 WeakPolarHBondContact CG2-OE1 3.45Å; T562-E568 WeakPolarHBondContact CG2-OE2 3.27Å; T562-E568 PolarHBondContact OG1-OE1 3.47Å
569	L	97.1	Very high	95.1	Very high	108 Å²	108	63.7 Å²	63.7	57%	0.565	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.5	-179.3	-174.6	69.7	0	0	0	110.3	L559	L559-L569 HydrophobicContact CD2-CB 4.23Å; L559-L569 HydrophobicContact CD2-CD1 3.97Å
570	V	96.8	Very high	95.2	Very high	21 Å²	21	62.9 Å²	62.9	13%	0.127	30%	0.301	C	S	.	.			trans	-79	119.4	169.8	-179.5	0	0	0	0	108.5	F550 L558 R560 F574 I586	F550-V570 HydrophobicContact CD1-CG2 4.16Å; F550-V570 HydrophobicContact CE1-CG2 3.99Å; L558-V570 HydrophobicContact CB-CB 4.4Å; L558-V570 HydrophobicContact CD2-CB 4.2Å; L558-V570 HydrophobicContact CD2-CG1 4.37Å; L558-V570 HydrophobicContact CD2-CG2 4.08Å; L558-V570 HydrophobicContact CG-CB 4.31Å; L558-V570 HydrophobicContact CG-CG2 3.99Å; L558-V570 PolarHBondContact O-N 2.97Å; R560-V570 HydrophobicContact CB-CG2 3.81Å; V570-F574 HydrophobicContact CG1-CD2 4.06Å; V570-F574 HydrophobicContact CG1-CE2 3.96Å; V570-I586 HydrophobicContact CG1-CD1 3.65Å
571	E	93.4	Very high	95.2	Very high	188 Å²	188	61.7 Å²	61.7	88%	0.879	30%	0.296	S	S	*	.	S	Bend	trans	-71.1	-34.3	-178.6	-63.8	-178.3	169.2	0	0	112.9	A573	E571-A573 PolarHBondContact O-N 2.73Å
572	T	92.7	Very high	95.3	Very high	57 Å²	57	60.6 Å²	60.6	35%	0.35	29%	0.292	S	S	.	.	S	Bend	trans	-70.1	128.4	175.5	-54.9	0	0	0	0	109.9	F574 A601	T572-F574 HydrophobicContact CG2-CD2 4.29Å; T572-F574 HydrophobicContact CG2-CE1 4.13Å; T572-F574 HydrophobicContact CG2-CE2 3.61Å; T572-F574 HydrophobicContact CG2-CZ 3.51Å; T572-F574 VanDerWaalsContact O-CD2 3.28Å; T572-F574 WeakPolarHBondContact O-CD2 3.41Å; T572-F574 PolarHBondContact O-N 3.09Å; T572-A601 HydrophobicContact CG2-CB 3.95Å
573	A	93.9	Very high	95.5	Very high	49 Å²	49	60.2 Å²	60.2	41%	0.405	29%	0.289	S	S	.	.			trans	-71.9	122.4	178.9	0	0	0	0	0	111	E571 F645 G646	E571-A573 PolarHBondContact O-N 2.73Å; A573-F645 HydrophobicContact CB-CD1 3.7Å; A573-F645 HydrophobicContact CB-CE1 4.05Å; A573-F645 WeakPolarHBondContact O-CA 3.39Å; A573-G646 PolarHBondContact O-N 2.68Å
574	F	96.1	Very high	95.9	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.039	26%	0.262	C	S	.	.			trans	-130	136.2	171.5	-63.6	-73.1	0	0	0	109.2	L558 V570 T572 V576 I586 A601 L603	L558-F574 HydrophobicContact CD2-CB 4.11Å; L558-F574 HydrophobicContact CD2-CD2 3.87Å; L558-F574 HydrophobicContact CD2-CG 4.39Å; V570-F574 HydrophobicContact CG1-CD2 4.06Å; V570-F574 HydrophobicContact CG1-CE2 3.96Å; T572-F574 HydrophobicContact CG2-CD2 4.29Å; T572-F574 HydrophobicContact CG2-CE1 4.13Å; T572-F574 HydrophobicContact CG2-CE2 3.61Å; T572-F574 HydrophobicContact CG2-CZ 3.51Å; T572-F574 VanDerWaalsContact O-CD2 3.28Å; T572-F574 WeakPolarHBondContact O-CD2 3.41Å; T572-F574 PolarHBondContact O-N 3.09Å; F574-V576 HydrophobicContact CB-CG2 4.11Å; F574-V576 PolarHBondContact O-N 2.87Å; F574-I586 HydrophobicContact CE2-CD1 3.98Å; F574-I586 HydrophobicContact CE2-CG1 4.07Å; F574-I586 HydrophobicContact CZ-CG1 4.31Å; F574-I586 HydrophobicContact CZ-CG2 4.24Å; F574-A601 HydrophobicContact CZ-CB 4.49Å; F574-L603 HydrophobicContact CB-CD2 4.34Å; F574-L603 HydrophobicContact CD1-CB 3.69Å; F574-L603 HydrophobicContact CD2-CB 4.26Å; F574-L603 HydrophobicContact CD2-CD2 4.29Å; F574-L603 HydrophobicContact CE1-CB 3.65Å; F574-L603 HydrophobicContact CE2-CB 4.2Å; F574-L603 HydrophobicContact CG-CB 4.01Å; F574-L603 HydrophobicContact CG-CD2 4.19Å; F574-L603 HydrophobicContact CZ-CB 3.91Å
575	E	94.2	Very high	96.2	Very high	35 Å²	35	47.7 Å²	47.7	16%	0.164	23%	0.231	C	C	.	.			trans	-80.2	102.2	170.6	-77.6	-176.6	148.1	0	0	109.5	K637 F645	E575-K637 IonicContact OE1-NZ 3.13Å; E575-K637 PolarHBondContact OE1-NZ 2.76Å; E575-K637 VanDerWaalsContact OE2-CD 3.31Å; E575-K637 WeakPolarHBondContact OE2-CD 3.29Å; E575-K637 WeakPolarHBondContact OE2-CE 3.39Å; E575-K637 IonicContact OE2-NZ 2.73Å; E575-K637 PolarHBondContact OE2-NZ 2.73Å; E575-F645 HydrophobicContact CG-CB 4.34Å; E575-F645 HydrophobicContact CG-CD1 3.7Å; E575-F645 HydrophobicContact CG-CD2 3.65Å; E575-F645 HydrophobicContact CG-CE1 3.79Å; E575-F645 HydrophobicContact CG-CE2 3.74Å; E575-F645 HydrophobicContact CG-CG 3.63Å; E575-F645 HydrophobicContact CG-CZ 3.8Å; E575-F645 WeakPolarHBondContact OE1-CE2 3.45Å
576	V	97.5	Very high	96.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.204	C	C	.	.			trans	-126.2	129.2	176.3	-178.8	0	0	0	0	107.8	C552 L558 F574 F582 L603 F631 L648	C552-V576 HydrophobicContact CB-CB 4.11Å; C552-V576 HydrophobicContact CB-CG1 3.58Å; C552-V576 PolarHBondContact SG-O 3.32Å; L558-V576 HydrophobicContact CD1-CB 4.31Å; L558-V576 HydrophobicContact CD1-CG1 4.33Å; L558-V576 HydrophobicContact CD1-CG2 4.19Å; L558-V576 HydrophobicContact CD2-CG2 4.24Å; F574-V576 HydrophobicContact CB-CG2 4.11Å; F574-V576 PolarHBondContact O-N 2.87Å; V576-F582 HydrophobicContact CG1-CE1 3.77Å; V576-F582 HydrophobicContact CG1-CZ 4.2Å; V576-L603 HydrophobicContact CG2-CD2 4Å; V576-F631 HydrophobicContact CG1-CE1 4.35Å; V576-F631 HydrophobicContact CG1-CZ 4.32Å; V576-L648 HydrophobicContact CG2-CD1 4.4Å
577	Q	96.4	Very high	96.5	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.056	18%	0.178	C	C	.	.			trans	-63.1	134.6	177.5	-167	178.8	7.9	0	0	110.9	S230 S255 C552 S580 F631 L635	S230-Q577 PolarHBondContact OG-NE2 3.25Å; S230-Q577 PolarHBondContact OG-OE1 2.82Å; S255-Q577 VanDerWaalsContact CB-NE2 3.3Å; C552-Q577 WeakPolarHBondContact CB-O 3.26Å; Q577-S580 WeakPolarHBondContact O-CB 3.05Å; Q577-S580 PolarHBondContact O-OG 3.17Å; Q577-F631 HydrophobicContact CB-CE2 4.06Å; Q577-F631 HydrophobicContact CB-CZ 4.12Å; Q577-L635 HydrophobicContact CB-CD1 4.29Å
578	P	96.7	Very high	96.3	Very high	21 Å²	21	36.3 Å²	36.3	14%	0.136	18%	0.182	C	C	.	.	S	Bend	trans	-53.3	160.8	172.5	-27.7	35.6	0	0	0	113.5	S255 K553 S580	S255-P578 VanDerWaalsContact OG-CD 3.31Å; S255-P578 WeakPolarHBondContact OG-CD 3Å; K553-P578 WeakPolarHBondContact O-CB 3.37Å; K553-P578 WeakPolarHBondContact O-CG 3.31Å; P578-S580 VanDerWaalsContact C-N 3.26Å; P578-S580 PolarHBondContact O-N 3.24Å
579	R	97.1	Very high	96.2	Very high	90 Å²	90	32.2 Å²	32.2	34%	0.34	16%	0.163	S	C	.	.	S	Bend	trans	63.8	32.3	-176.5	-52.3	174.4	58.2	78.8	-0.2	112.8	L494 E497 L498 C552 G613	L494-R579 HydrophobicContact CD1-CG 4.45Å; E497-R579 VanDerWaalsContact CD-NH1 3.28Å; E497-R579 IonicContact OE1-CZ 3.7Å; E497-R579 IonicContact OE1-NH1 3.89Å; E497-R579 PolarHBondContact OE1-NH1 3.08Å; E497-R579 IonicContact OE1-NH2 2.69Å; E497-R579 PolarHBondContact OE1-NH2 3.48Å; E497-R579 IonicContact OE2-NH1 3.72Å; E497-R579 PolarHBondContact OE2-NH1 3.31Å; L498-R579 HydrophobicContact CD2-CB 4.15Å; C552-R579 PolarHBondContact O-N 2.96Å; R579-G613 PolarHBondContact O-N 2.92Å
580	S	98.4	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.7	175.4	-57	0	0	0	0	110.1	L551 C552 Q577 P578 C610 G612 F631	L551-S580 CarbonylContact C-O 3.45Å; L551-S580 WeakPolarHBondContact CA-O 3.49Å; C552-S580 PolarHBondContact N-O 2.84Å; Q577-S580 WeakPolarHBondContact O-CB 3.05Å; Q577-S580 PolarHBondContact O-OG 3.17Å; P578-S580 VanDerWaalsContact C-N 3.26Å; P578-S580 PolarHBondContact O-N 3.24Å; S580-C610 CarbonylContact C-O 3.55Å; S580-C610 VanDerWaalsContact CA-O 3.26Å; S580-C610 WeakPolarHBondContact CA-O 3.43Å; S580-G612 PolarHBondContact OG-N 3.43Å; S580-F631 WeakPolarHBondContact OG-CZ 3.46Å
581	I	98.6	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.9	168.4	178.2	169	0	0	0	109.7	L495 L498 L499 F550 L551 W567 I609 C610	L495-I581 HydrophobicContact CD2-CD1 3.97Å; L498-I581 HydrophobicContact CB-CG2 3.85Å; L498-I581 HydrophobicContact CD1-CB 4.45Å; L498-I581 HydrophobicContact CD1-CG2 4.02Å; L499-I581 HydrophobicContact CD2-CD1 3.84Å; L499-I581 HydrophobicContact CG-CD1 4.39Å; F550-I581 VanDerWaalsContact O-CA 3.23Å; F550-I581 WeakPolarHBondContact O-CA 3.4Å; L551-I581 HydrophobicContact CD1-CB 4.18Å; W567-I581 HydrophobicContact CH2-CD1 4.29Å; I581-I609 HydrophobicContact CD1-CD1 4.09Å; I581-I609 HydrophobicContact CG1-CD1 4.06Å; I581-I609 HydrophobicContact CG2-CB 3.89Å; I581-I609 HydrophobicContact CG2-CG2 4.07Å; I581-I609 PolarHBondContact O-N 3.18Å; I581-C610 HydrophobicContact CG2-CB 3.84Å; I581-C610 PolarHBondContact N-O 2.79Å; I581-C610 PolarHBondContact O-N 3.26Å; I581-C610 VanDerWaalsContact O-N 3.14Å
582	F	98.7	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.7	-173.5	57.1	-94.9	0	0	0	111.7	L549 F550 L558 V576 L603 I605 D607 L611	L549-F582 CarbonylContact C-O 3.53Å; L549-F582 WeakPolarHBondContact CA-O 3.35Å; F550-F582 HydrophobicContact CB-CD2 4.06Å; F550-F582 HydrophobicContact CB-CE1 4.26Å; F550-F582 HydrophobicContact CB-CE2 3.59Å; F550-F582 HydrophobicContact CB-CZ 3.71Å; F550-F582 HydrophobicContact CD2-CD2 4.34Å; F550-F582 AromaticContact CD2-CE2 3.98Å; F550-F582 HydrophobicContact CD2-CE2 3.98Å; F550-F582 AromaticContact CG-CE2 3.92Å; F550-F582 HydrophobicContact CG-CE2 3.92Å; F550-F582 HydrophobicContact CG-CZ 4.33Å; F550-F582 PolarHBondContact N-O 3.3Å; F550-F582 PolarHBondContact O-N 3.42Å; F550-F582 VanDerWaalsContact O-N 3.09Å; L558-F582 HydrophobicContact CD1-CZ 4.43Å; V576-F582 HydrophobicContact CG1-CE1 3.77Å; V576-F582 HydrophobicContact CG1-CZ 4.2Å; F582-L603 HydrophobicContact CE2-CD1 4.46Å; F582-L603 HydrophobicContact CE2-CD2 4.14Å; F582-L603 HydrophobicContact CE2-CG 4.41Å; F582-L603 HydrophobicContact CZ-CD2 3.94Å; F582-I605 HydrophobicContact CB-CG2 4.1Å; F582-I605 HydrophobicContact CD2-CB 4.37Å; F582-I605 HydrophobicContact CD2-CD1 4.4Å; F582-I605 HydrophobicContact CD2-CG1 3.94Å; F582-I605 HydrophobicContact CD2-CG2 3.93Å; F582-I605 HydrophobicContact CE2-CD1 4.37Å; F582-I605 HydrophobicContact CE2-CG1 3.88Å; F582-I605 HydrophobicContact CG-CG2 4.18Å; F582-I605 HydrophobicContact CZ-CG1 4.45Å; F582-D607 WeakPolarHBondContact CB-O 3.41Å; F582-L611 HydrophobicContact CB-CD2 4.27Å; F582-L611 HydrophobicContact CD1-CD2 4.37Å
583	F	98.6	Very high	95.8	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.013	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.3	172.8	-176.1	-130.1	0	0	0	109.6	C547 S548 L549 I606 D607 M694 F696 F742 F746	C547-F583 HydrophobicContact CB-CE2 3.81Å; C547-F583 HydrophobicContact CB-CZ 3.61Å; S548-F583 VanDerWaalsContact C-CD2 3.49Å; S548-F583 WeakPolarHBondContact O-CA 3.29Å; S548-F583 WeakPolarHBondContact O-CD2 3.32Å; L549-F583 HydrophobicContact CD2-CB 4.1Å; L549-F583 HydrophobicContact CD2-CD2 4.37Å; F583-I606 HydrophobicContact CD1-CB 4.04Å; F583-I606 HydrophobicContact CD1-CD1 4.39Å; F583-I606 HydrophobicContact CD1-CG2 3.97Å; F583-I606 HydrophobicContact CE1-CD1 4.27Å; F583-I606 HydrophobicContact CE1-CG2 4.34Å; F583-I606 PolarHBondContact O-N 2.58Å; F583-D607 PolarHBondContact N-O 2.92Å; F583-D607 PolarHBondContact O-N 3.04Å; F583-M694 HydrophobicContact CD1-CE 4.38Å; F583-M694 HydrophobicContact CE1-CE 3.32Å; F583-M694 HydrophobicContact CE1-SD 3.88Å; F583-M694 HydrophobicContact CZ-CE 3.77Å; F583-M694 HydrophobicContact CZ-SD 4.11Å; F583-F696 HydrophobicContact CD1-CZ 4.46Å; F583-F696 HydrophobicContact CE1-CZ 4.16Å; F583-F742 HydrophobicContact CB-CE2 3.87Å; F583-F742 HydrophobicContact CB-CZ 3.79Å; F583-F746 HydrophobicContact CD1-CD2 4.29Å; F583-F746 HydrophobicContact CD1-CE2 4.4Å; F583-F746 HydrophobicContact CD2-CD2 4.25Å; F583-F746 AromaticContact CD2-CE2 3.63Å; F583-F746 HydrophobicContact CD2-CE2 3.63Å; F583-F746 HydrophobicContact CE1-CD2 4.43Å; F583-F746 HydrophobicContact CE1-CE2 4.37Å; F583-F746 HydrophobicContact CE2-CD2 4.46Å; F583-F746 AromaticContact CE2-CE2 3.67Å; F583-F746 HydrophobicContact CE2-CE2 3.67Å; F583-F746 HydrophobicContact CG-CD2 4.19Å; F583-F746 HydrophobicContact CG-CE2 4.04Å; F583-F746 HydrophobicContact CZ-CE2 4.05Å
584	G	97.9	Very high	95.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	-164.9	-176.7	0	0	0	0	0	112.8	C547 S548 H604	C547-G584 CarbonylContact C-O 3.55Å; C547-G584 VanDerWaalsContact CA-O 3.29Å; C547-G584 WeakPolarHBondContact CA-O 3.41Å; S548-G584 PolarHBondContact N-O 3.18Å; S548-G584 PolarHBondContact O-N 2.54Å; G584-H604 CarbonylContact C-O 3.58Å; G584-H604 WeakPolarHBondContact CA-O 3.39Å
585	Q	97.2	Very high	95.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	139.4	-177.4	-166.6	-176.9	21	0	0	110.5	G538 N545 V587 H604	G538-Q585 PolarHBondContact O-NE2 2.79Å; N545-Q585 WeakPolarHBondContact O-CG 3.45Å; N545-Q585 PolarHBondContact O-NE2 2.97Å; Q585-V587 HydrophobicContact CB-CG1 4.15Å; Q585-V587 HydrophobicContact CG-CG1 3.74Å; Q585-H604 PolarHBondContact N-O 2.82Å; Q585-H604 PolarHBondContact O-N 2.94Å
586	I	96.6	Very high	95.3	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.9	165.1	-62.3	169	0	0	0	107.9	I544 N545 F550 V570 F574 A601 A602 L603	I544-I586 HydrophobicContact CG2-CD1 4.26Å; N545-I586 WeakPolarHBondContact CA-O 3.49Å; N545-I586 PolarHBondContact ND2-O 2.84Å; F550-I586 HydrophobicContact CE1-CD1 4.03Å; F550-I586 HydrophobicContact CE1-CG1 4.13Å; F550-I586 HydrophobicContact CZ-CD1 4.28Å; F550-I586 HydrophobicContact CZ-CG1 4Å; V570-I586 HydrophobicContact CG1-CD1 3.65Å; F574-I586 HydrophobicContact CE2-CD1 3.98Å; F574-I586 HydrophobicContact CE2-CG1 4.07Å; F574-I586 HydrophobicContact CZ-CG1 4.31Å; F574-I586 HydrophobicContact CZ-CG2 4.24Å; I586-A601 HydrophobicContact CG2-CB 4.35Å; I586-A602 CarbonylContact C-O 3.39Å; I586-A602 WeakPolarHBondContact CA-O 3.45Å; I586-L603 HydrophobicContact CG1-CD1 3.94Å
587	V	95.1	Very high	95.1	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.6	-178.9	-60.1	0	0	0	0	110.7	Q585 A602 H604	Q585-V587 HydrophobicContact CB-CG1 4.15Å; Q585-V587 HydrophobicContact CG-CG1 3.74Å; V587-A602 HydrophobicContact CG2-CB 4.44Å; V587-A602 PolarHBondContact N-O 2.95Å; V587-A602 PolarHBondContact O-N 3.13Å; V587-H604 WeakPolarHBondContact CG2-CD2 3.42Å; V587-H604 VanDerWaalsContact CG2-NE2 3.28Å; V587-H604 WeakPolarHBondContact CG2-NE2 3.33Å
588	Y	93.7	Very high	94.9	Very high	68 Å²	68	42.8 Å²	42.8	27%	0.267	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120	168.8	-65.8	-61.8	0	0	0	110.1	F590 M600 A601 F688	Y588-F590 WeakPolarHBondContact O-CE2 3.31Å; Y588-M600 CarbonylContact C-O 3.51Å; Y588-M600 WeakPolarHBondContact CA-O 3.36Å; Y588-A601 HydrophobicContact CD1-CB 4.42Å; Y588-A601 HydrophobicContact CE1-CB 4.24Å; Y588-F688 WeakPolarHBondContact O-CB 3.15Å
589	E	93.9	Very high	94.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.3	165.9	-68.4	-177.3	-173.9	0	0	109.5	R599 M600 A602 H604 R649 L682 K686 F687	E589-R599 CarbonylContact O-C 3.49Å; E589-R599 VanDerWaalsContact O-CA 3.28Å; E589-R599 WeakPolarHBondContact O-CA 3.46Å; E589-M600 PolarHBondContact N-O 3.42Å; E589-M600 PolarHBondContact O-N 3.33Å; E589-A602 HydrophobicContact CG-CB 3.7Å; E589-A602 VanDerWaalsContact OE1-CB 3.27Å; E589-A602 WeakPolarHBondContact OE1-CB 3.13Å; E589-H604 IonicContact OE1-CE1 2.6Å; E589-H604 IonicContact OE1-NE2 2.66Å; E589-H604 PolarHBondContact OE1-NE2 2.79Å; E589-R649 WeakPolarHBondContact OE1-CD 3.07Å; E589-R649 IonicContact OE1-CZ 3.59Å; E589-R649 IonicContact OE1-NE 2.96Å; E589-R649 PolarHBondContact OE1-NE 2.9Å; E589-R649 IonicContact OE1-NH2 2.78Å; E589-R649 IonicContact OE2-CZ 2.72Å; E589-R649 IonicContact OE2-NE 3.35Å; E589-R649 IonicContact OE2-NH2 2.69Å; E589-R649 PolarHBondContact OE2-NH2 3.1Å; E589-L682 HydrophobicContact CG-CD1 3.73Å; E589-K686 HydrophobicContact CB-CB 4.49Å; E589-K686 HydrophobicContact CB-CD 4.34Å; E589-K686 WeakPolarHBondContact OE2-CD 3.22Å; E589-F687 CarbonylContact C-O 3.48Å; E589-F687 WeakPolarHBondContact CA-O 3.23Å
590	F	94.2	Very high	94.3	Very high	21 Å²	21	47.4 Å²	47.4	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.7	-177.6	-60.6	-87.2	0	0	0	110.8	Y588 I597 Q598 R599 K686 F687 V689	Y588-F590 WeakPolarHBondContact O-CE2 3.31Å; F590-I597 HydrophobicContact CB-CD1 3.99Å; F590-I597 HydrophobicContact CB-CG1 4.12Å; F590-I597 HydrophobicContact CD1-CD1 3.64Å; F590-I597 HydrophobicContact CD1-CG1 3.96Å; F590-I597 HydrophobicContact CE1-CD1 4.47Å; F590-I597 HydrophobicContact CG-CD1 4.08Å; F590-I597 HydrophobicContact CG-CG1 4.48Å; F590-Q598 CarbonylContact C-O 3.49Å; F590-Q598 VanDerWaalsContact CA-O 3.24Å; F590-Q598 WeakPolarHBondContact CA-O 3.24Å; F590-R599 HydrophobicContact CD1-CB 3.67Å; F590-R599 HydrophobicContact CE1-CB 3.59Å; F590-R599 HydrophobicContact CZ-CB 4.45Å; F590-K686 CarbonylContact O-C 3.56Å; F590-K686 WeakPolarHBondContact O-CA 3.46Å; F590-K686 WeakPolarHBondContact O-CB 3.29Å; F590-F687 HydrophobicContact CB-CD1 3.94Å; F590-F687 HydrophobicContact CB-CD2 4.24Å; F590-F687 HydrophobicContact CB-CE1 3.47Å; F590-F687 VanDerWaalsContact CB-CE1 3.47Å; F590-F687 HydrophobicContact CB-CE2 3.8Å; F590-F687 HydrophobicContact CB-CG 4.31Å; F590-F687 HydrophobicContact CB-CZ 3.4Å; F590-F687 VanDerWaalsContact CB-CZ 3.4Å; F590-F687 HydrophobicContact CD2-CD2 4.42Å; F590-F687 HydrophobicContact CD2-CE2 4.09Å; F590-F687 HydrophobicContact CD2-CZ 4.49Å; F590-F687 HydrophobicContact CG-CE2 4.16Å; F590-F687 HydrophobicContact CG-CZ 4.09Å; F590-F687 PolarHBondContact N-O 2.92Å; F590-F687 WeakPolarHBondContact O-CD1 3.32Å; F590-F687 PolarHBondContact O-N 3.31Å; F590-V689 HydrophobicContact CD2-CG2 4.41Å; F590-V689 HydrophobicContact CE2-CG2 4.18Å
591	Y	91.5	Very high	94	Very high	122 Å²	122	48.5 Å²	48.5	48%	0.478	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.3	171.3	176.5	-96.6	0	0	0	109.5	I597 Q598 N685	Y591-I597 WeakPolarHBondContact O-CA 3.2Å; Y591-Q598 PolarHBondContact N-O 3.29Å; Y591-Q598 PolarHBondContact O-N 3.27Å; Y591-N685 HydrophobicContact CD2-CB 4.25Å; Y591-N685 HydrophobicContact CE2-CB 3.94Å
592	G	92.7	Very high	93.9	Very high	27 Å²	27	48.6 Å²	48.6	28%	0.278	23%	0.227	S	C	.	.	S	Bend	trans	79.1	-176.7	-170	0	0	0	0	0	113
593	E	92.6	Very high	93.8	Very high	64 Å²	64	48.6 Å²	48.6	30%	0.299	23%	0.227	S	C	.	.			trans	-142.8	155.7	-177.8	-69.6	-165.7	-142.4	0	0	111.9	R595 T596 R667 Y669 V670	E593-R595 PolarHBondContact O-N 3.02Å; E593-T596 PolarHBondContact O-N 3.48Å; E593-T596 PolarHBondContact O-OG1 2.89Å; E593-T596 VanDerWaalsContact O-OG1 3.08Å; E593-R667 IonicContact OE1-CZ 3.83Å; E593-R667 VanDerWaalsContact OE1-CZ 3.23Å; E593-R667 IonicContact OE1-NH1 3.43Å; E593-R667 PolarHBondContact OE1-NH1 3.24Å; E593-R667 IonicContact OE1-NH2 3.85Å; E593-R667 PolarHBondContact OE1-NH2 3.3Å; E593-Y669 HydrophobicContact CG-CD1 3.99Å; E593-Y669 WeakPolarHBondContact OE1-CD1 3Å; E593-V670 PolarHBondContact OE2-N 3.32Å; E593-V670 VanDerWaalsContact OE2-N 3.12Å
594	G	92	Very high	93.8	Very high	10 Å²	10	48.5 Å²	48.5	10%	0.103	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	58.7	-122.6	178.2	0	0	0	0	0	112.2	T596 I597 V670 K672	G594-T596 VanDerWaalsContact C-N 3.35Å; G594-T596 PolarHBondContact O-N 3.43Å; G594-I597 WeakPolarHBondContact O-CG2 3.38Å; G594-V670 PolarHBondContact N-O 3.38Å; G594-K672 WeakPolarHBondContact O-CA 3.35Å
595	R	90.2	Very high	93.8	Very high	226 Å²	226	48.5 Å²	48.5	85%	0.853	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-72.4	-23.9	-175.8	-66.7	-176.2	-179.3	177.7	0.6	114.1	E593	E593-R595 PolarHBondContact O-N 3.02Å
596	T	91.5	Very high	93.9	Very high	109 Å²	109	48.5 Å²	48.5	67%	0.669	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-92.1	-1	-178.2	59.9	0	0	0	0	112.9	E593 G594 Q598	E593-T596 PolarHBondContact O-N 3.48Å; E593-T596 PolarHBondContact O-OG1 2.89Å; E593-T596 VanDerWaalsContact O-OG1 3.08Å; G594-T596 VanDerWaalsContact C-N 3.35Å; G594-T596 PolarHBondContact O-N 3.43Å; T596-Q598 PolarHBondContact O-N 3.25Å
597	I	93.6	Very high	93.9	Very high	21 Å²	21	48.3 Å²	48.3	11%	0.108	23%	0.225	C	C	.	.			trans	-62	129.3	-177.4	-160.8	170.3	0	0	0	111.4	F590 Y591 G594 L671 K672 F687	F590-I597 HydrophobicContact CB-CD1 3.99Å; F590-I597 HydrophobicContact CB-CG1 4.12Å; F590-I597 HydrophobicContact CD1-CD1 3.64Å; F590-I597 HydrophobicContact CD1-CG1 3.96Å; F590-I597 HydrophobicContact CE1-CD1 4.47Å; F590-I597 HydrophobicContact CG-CD1 4.08Å; F590-I597 HydrophobicContact CG-CG1 4.48Å; Y591-I597 WeakPolarHBondContact O-CA 3.2Å; G594-I597 WeakPolarHBondContact O-CG2 3.38Å; I597-L671 HydrophobicContact CD1-CD2 3.8Å; I597-K672 HydrophobicContact CG2-CB 3.69Å; I597-K672 HydrophobicContact CG2-CG 4.3Å; I597-F687 HydrophobicContact CD1-CZ 3.96Å
598	Q	91.7	Very high	94.1	Very high	103 Å²	103	48 Å²	48	48%	0.481	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.6	169.2	-64.3	-173.4	-9.7	0	0	108.9	F590 Y591 T596	F590-Q598 CarbonylContact C-O 3.49Å; F590-Q598 VanDerWaalsContact CA-O 3.24Å; F590-Q598 WeakPolarHBondContact CA-O 3.24Å; Y591-Q598 PolarHBondContact N-O 3.29Å; Y591-Q598 PolarHBondContact O-N 3.27Å; T596-Q598 PolarHBondContact O-N 3.25Å
599	R	90.6	Very high	94.3	Very high	158 Å²	158	44.8 Å²	44.8	60%	0.596	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.2	173.9	72.4	177.2	-178.8	174.7	0.7	110.6	E589 F590	E589-R599 CarbonylContact O-C 3.49Å; E589-R599 VanDerWaalsContact O-CA 3.28Å; E589-R599 WeakPolarHBondContact O-CA 3.46Å; F590-R599 HydrophobicContact CD1-CB 3.67Å; F590-R599 HydrophobicContact CE1-CB 3.59Å; F590-R599 HydrophobicContact CZ-CB 4.45Å
600	M	90.7	Very high	94.5	Very high	50 Å²	50	44.9 Å²	44.9	25%	0.246	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.5	179.5	-65.9	-178.2	-69.5	0	0	109.6	Y588 E589 K686	Y588-M600 CarbonylContact C-O 3.51Å; Y588-M600 WeakPolarHBondContact CA-O 3.36Å; E589-M600 PolarHBondContact N-O 3.42Å; E589-M600 PolarHBondContact O-N 3.33Å; M600-K686 HydrophobicContact CE-CD 4.21Å
601	A	93.1	Very high	94.7	Very high	23 Å²	23	43.9 Å²	43.9	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.6	174.4	0	0	0	0	0	110.3	T572 F574 I586 Y588 G646	T572-A601 HydrophobicContact CG2-CB 3.95Å; F574-A601 HydrophobicContact CZ-CB 4.49Å; I586-A601 HydrophobicContact CG2-CB 4.35Å; Y588-A601 HydrophobicContact CD1-CB 4.42Å; Y588-A601 HydrophobicContact CE1-CB 4.24Å; A601-G646 WeakPolarHBondContact O-CA 3.4Å
602	A	95.2	Very high	95	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.9	176.3	0	0	0	0	0	109.9	I586 V587 E589 A647	I586-A602 CarbonylContact C-O 3.39Å; I586-A602 WeakPolarHBondContact CA-O 3.45Å; V587-A602 HydrophobicContact CG2-CB 4.44Å; V587-A602 PolarHBondContact N-O 2.95Å; V587-A602 PolarHBondContact O-N 3.13Å; E589-A602 HydrophobicContact CG-CB 3.7Å; E589-A602 VanDerWaalsContact OE1-CB 3.27Å; E589-A602 WeakPolarHBondContact OE1-CB 3.13Å; A602-A647 CarbonylContact C-O 3.5Å; A602-A647 WeakPolarHBondContact CA-O 3.4Å; A602-A647 HydrophobicContact CB-CB 4.06Å
603	L	97.4	Very high	95.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.6	175.1	179.9	59	0	0	0	109	F550 L558 F574 V576 F582 I586 A647 L648 R649	F550-L603 HydrophobicContact CD1-CD1 4.26Å; F550-L603 HydrophobicContact CD2-CD1 4.29Å; F550-L603 HydrophobicContact CE1-CD1 3.9Å; F550-L603 HydrophobicContact CE2-CD1 3.97Å; F550-L603 HydrophobicContact CG-CD1 4.44Å; F550-L603 HydrophobicContact CZ-CD1 3.76Å; L558-L603 HydrophobicContact CD2-CD2 3.68Å; F574-L603 HydrophobicContact CB-CD2 4.34Å; F574-L603 HydrophobicContact CD1-CB 3.69Å; F574-L603 HydrophobicContact CD2-CB 4.26Å; F574-L603 HydrophobicContact CD2-CD2 4.29Å; F574-L603 HydrophobicContact CE1-CB 3.65Å; F574-L603 HydrophobicContact CE2-CB 4.2Å; F574-L603 HydrophobicContact CG-CB 4.01Å; F574-L603 HydrophobicContact CG-CD2 4.19Å; F574-L603 HydrophobicContact CZ-CB 3.91Å; V576-L603 HydrophobicContact CG2-CD2 4Å; F582-L603 HydrophobicContact CE2-CD1 4.46Å; F582-L603 HydrophobicContact CE2-CD2 4.14Å; F582-L603 HydrophobicContact CE2-CG 4.41Å; F582-L603 HydrophobicContact CZ-CD2 3.94Å; I586-L603 HydrophobicContact CG1-CD1 3.94Å; L603-A647 PolarHBondContact N-O 3.48Å; L603-L648 HydrophobicContact CB-CD1 3.85Å; L603-L648 HydrophobicContact CD2-CD1 3.73Å; L603-L648 HydrophobicContact CG-CD1 3.74Å; L603-L648 WeakPolarHBondContact O-CA 3.32Å; L603-R649 PolarHBondContact O-N 2.86Å
604	H	97.7	Very high	95.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.9	178.8	-72.5	-138.6	0	0	0	109.9	G584 Q585 V587 E589 R649 K651	G584-H604 CarbonylContact C-O 3.58Å; G584-H604 WeakPolarHBondContact CA-O 3.39Å; Q585-H604 PolarHBondContact N-O 2.82Å; Q585-H604 PolarHBondContact O-N 2.94Å; V587-H604 WeakPolarHBondContact CG2-CD2 3.42Å; V587-H604 VanDerWaalsContact CG2-NE2 3.28Å; V587-H604 WeakPolarHBondContact CG2-NE2 3.33Å; E589-H604 IonicContact OE1-CE1 2.6Å; E589-H604 IonicContact OE1-NE2 2.66Å; E589-H604 PolarHBondContact OE1-NE2 2.79Å; H604-R649 CarbonylContact C-O 3.54Å; H604-R649 VanDerWaalsContact CA-O 3.31Å; H604-R649 WeakPolarHBondContact CA-O 3.4Å; H604-K651 HydrophobicContact CB-CD 3.92Å; H604-K651 VanDerWaalsContact CB-CE 3.48Å; H604-K651 HydrophobicContact CB-CG 3.99Å; H604-K651 WeakPolarHBondContact ND1-CD 3.3Å; H604-K651 WeakPolarHBondContact ND1-CE 3.49Å
605	I	98.5	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.9	173.2	-50.1	-179.5	0	0	0	109.1	F582 C628 F631 A632 L648 R649 S650 K651	F582-I605 HydrophobicContact CB-CG2 4.1Å; F582-I605 HydrophobicContact CD2-CB 4.37Å; F582-I605 HydrophobicContact CD2-CD1 4.4Å; F582-I605 HydrophobicContact CD2-CG1 3.94Å; F582-I605 HydrophobicContact CD2-CG2 3.93Å; F582-I605 HydrophobicContact CE2-CD1 4.37Å; F582-I605 HydrophobicContact CE2-CG1 3.88Å; F582-I605 HydrophobicContact CG-CG2 4.18Å; F582-I605 HydrophobicContact CZ-CG1 4.45Å; I605-C628 HydrophobicContact CB-CB 4.44Å; I605-C628 HydrophobicContact CG2-CB 3.72Å; I605-F631 HydrophobicContact CD1-CD1 3.69Å; I605-F631 HydrophobicContact CD1-CE1 4.13Å; I605-A632 HydrophobicContact CD1-CB 4.4Å; I605-L648 HydrophobicContact CD1-CD1 4.11Å; I605-L648 HydrophobicContact CD1-CD2 4.42Å; I605-L648 HydrophobicContact CD1-CG 4.36Å; I605-L648 HydrophobicContact CG1-CD1 4.11Å; I605-R649 PolarHBondContact N-O 2.87Å; I605-S650 CarbonylContact O-C 3.55Å; I605-S650 WeakPolarHBondContact O-CA 3.46Å; I605-K651 PolarHBondContact O-N 3.11Å
606	I	98.4	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-47	179.4	-66.8	170.5	0	0	0	110.7	V535 V537 F583 K651 M694 F696	V535-I606 HydrophobicContact CG2-CG1 4.39Å; V535-I606 HydrophobicContact CG2-CG2 3.94Å; V537-I606 HydrophobicContact CG1-CD1 4.46Å; F583-I606 HydrophobicContact CD1-CB 4.04Å; F583-I606 HydrophobicContact CD1-CD1 4.39Å; F583-I606 HydrophobicContact CD1-CG2 3.97Å; F583-I606 HydrophobicContact CE1-CD1 4.27Å; F583-I606 HydrophobicContact CE1-CG2 4.34Å; F583-I606 PolarHBondContact O-N 2.58Å; I606-K651 HydrophobicContact CG1-CB 4.39Å; I606-K651 HydrophobicContact CG1-CG 3.78Å; I606-M694 HydrophobicContact CD1-CE 3.58Å; I606-M694 HydrophobicContact CG2-CE 4.29Å; I606-F696 HydrophobicContact CG2-CE2 3.75Å; I606-F696 HydrophobicContact CG2-CZ 3.64Å
607	D	98.4	Very high	96.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	165.1	179	-165.8	-2.2	0	0	0	108.4	F582 F583 R624 F742	F582-D607 WeakPolarHBondContact CB-O 3.41Å; F583-D607 PolarHBondContact N-O 2.92Å; F583-D607 PolarHBondContact O-N 3.04Å; D607-R624 VanDerWaalsContact OD1-CB 3.28Å; D607-R624 WeakPolarHBondContact OD1-CB 3.44Å; D607-R624 IonicContact OD1-CZ 3.01Å; D607-R624 IonicContact OD1-NE 2.8Å; D607-R624 PolarHBondContact OD1-NE 3.36Å; D607-R624 IonicContact OD1-NH2 2.72Å; D607-R624 IonicContact OD2-CZ 3.8Å; D607-R624 IonicContact OD2-NE 2.93Å; D607-R624 PolarHBondContact OD2-NE 3.32Å; D607-R624 IonicContact OD2-NH2 3.47Å; D607-R624 PolarHBondContact OD2-NH2 3.18Å; D607-F742 HydrophobicContact CB-CD2 3.94Å; D607-F742 HydrophobicContact CB-CE2 3.8Å; D607-F742 VanDerWaalsContact CG-CD2 3.43Å; D607-F742 WeakPolarHBondContact OD2-CD2 3.45Å
608	G	98.2	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.5	-173.8	0	0	0	0	0	114.6	I616 C628 F742	G608-I616 WeakPolarHBondContact O-CG1 3.24Å; G608-C628 PolarHBondContact N-SG 3.32Å; G608-F742 VanDerWaalsContact O-CD2 3.24Å; G608-F742 WeakPolarHBondContact O-CD2 3.01Å
609	I	98.6	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-49.2	172.5	-60.4	173.2	0	0	0	109.1	L499 W502 W508 I581 I616 R617 F742	L499-I609 HydrophobicContact CD2-CD1 3.89Å; L499-I609 HydrophobicContact CD2-CG2 4.42Å; W502-I609 HydrophobicContact CZ3-CG1 4.43Å; W502-I609 HydrophobicContact CZ3-CG2 4.5Å; W508-I609 HydrophobicContact CH2-CD1 3.73Å; I581-I609 HydrophobicContact CD1-CD1 4.09Å; I581-I609 HydrophobicContact CG1-CD1 4.06Å; I581-I609 HydrophobicContact CG2-CB 3.89Å; I581-I609 HydrophobicContact CG2-CG2 4.07Å; I581-I609 PolarHBondContact O-N 3.18Å; I609-I616 WeakPolarHBondContact O-CG1 3.26Å; I609-I616 PolarHBondContact O-N 3.43Å; I609-R617 HydrophobicContact CB-CB 4.38Å; I609-R617 HydrophobicContact CG2-CB 3.8Å; I609-R617 PolarHBondContact O-N 3.13Å; I609-F742 HydrophobicContact CD1-CD1 3.73Å; I609-F742 HydrophobicContact CD1-CE1 3.49Å; I609-F742 VanDerWaalsContact CD1-CE1 3.49Å; I609-F742 HydrophobicContact CD1-CG 4.45Å; I609-F742 HydrophobicContact CD1-CZ 4.01Å; I609-F742 HydrophobicContact CG1-CB 4.33Å; I609-F742 HydrophobicContact CG1-CD1 3.34Å; I609-F742 HydrophobicContact CG1-CD2 3.88Å; I609-F742 HydrophobicContact CG1-CE1 3.46Å; I609-F742 VanDerWaalsContact CG1-CE1 3.46Å; I609-F742 HydrophobicContact CG1-CE2 3.96Å; I609-F742 HydrophobicContact CG1-CG 3.57Å; I609-F742 HydrophobicContact CG1-CZ 3.75Å
610	C	98.6	Very high	96.7	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133.2	-179.9	-175.5	0	0	0	0	109.2	S580 I581 G613 V614	S580-C610 CarbonylContact C-O 3.55Å; S580-C610 VanDerWaalsContact CA-O 3.26Å; S580-C610 WeakPolarHBondContact CA-O 3.43Å; I581-C610 HydrophobicContact CG2-CB 3.84Å; I581-C610 PolarHBondContact N-O 2.79Å; I581-C610 PolarHBondContact O-N 3.26Å; I581-C610 VanDerWaalsContact O-N 3.14Å; C610-G613 WeakPolarHBondContact SG-CA 3.4Å; C610-V614 CarbonylContact C-O 3.51Å; C610-V614 VanDerWaalsContact CA-O 3.26Å; C610-V614 WeakPolarHBondContact CA-O 3.43Å
611	L	98.5	Very high	97	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.2	-178.2	-57.8	176.8	0	0	0	108.5	W231 F582 G613 V614 I616 M627 F631	W231-L611 HydrophobicContact CH2-CD1 4.32Å; W231-L611 HydrophobicContact CZ2-CB 3.81Å; W231-L611 HydrophobicContact CZ2-CD1 4.32Å; W231-L611 PolarHBondContact NE1-O 2.91Å; F582-L611 HydrophobicContact CB-CD2 4.27Å; F582-L611 HydrophobicContact CD1-CD2 4.37Å; L611-G613 PolarHBondContact O-N 3.2Å; L611-G613 VanDerWaalsContact O-N 3.11Å; L611-V614 PolarHBondContact N-O 2.97Å; L611-V614 VanDerWaalsContact O-CB 3.31Å; L611-V614 WeakPolarHBondContact O-CB 3.38Å; L611-V614 PolarHBondContact O-N 2.83Å; L611-I616 HydrophobicContact CD1-CD1 3.65Å; L611-I616 HydrophobicContact CG-CD1 3.91Å; L611-M627 HydrophobicContact CD1-CB 4.26Å; L611-F631 HydrophobicContact CB-CD2 3.89Å; L611-F631 HydrophobicContact CB-CE2 4.15Å; L611-F631 HydrophobicContact CB-CG 4.13Å; L611-F631 HydrophobicContact CD1-CB 3.83Å; L611-F631 HydrophobicContact CD1-CG 4.15Å; L611-F631 HydrophobicContact CD2-CD1 3.99Å; L611-F631 HydrophobicContact CD2-CE1 4.23Å; L611-F631 HydrophobicContact CD2-CG 4.24Å; L611-F631 HydrophobicContact CG-CG 4.4Å
612	G	96.7	Very high	97.1	Very high	12 Å²	12	25 Å²	25	12%	0.124	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.4	-178.6	0	0	0	0	0	114.4	S580	S580-G612 PolarHBondContact OG-N 3.43Å
613	G	96.1	Very high	97.1	Very high	33 Å²	33	29.2 Å²	29.2	34%	0.34	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-4.4	-174.2	0	0	0	0	0	116	R579 C610 L611	R579-G613 PolarHBondContact O-N 2.92Å; C610-G613 WeakPolarHBondContact SG-CA 3.4Å; L611-G613 PolarHBondContact O-N 3.2Å; L611-G613 VanDerWaalsContact O-N 3.11Å
614	V	97.4	Very high	97.1	Very high	43 Å²	43	29.2 Å²	29.2	26%	0.261	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.9	174.3	-177.9	0	0	0	0	109.7	W231 C610 L611 I616 M627	W231-V614 HydrophobicContact CZ2-CB 4.17Å; W231-V614 HydrophobicContact CZ2-CG2 4.21Å; C610-V614 CarbonylContact C-O 3.51Å; C610-V614 VanDerWaalsContact CA-O 3.26Å; C610-V614 WeakPolarHBondContact CA-O 3.43Å; L611-V614 PolarHBondContact N-O 2.97Å; L611-V614 VanDerWaalsContact O-CB 3.31Å; L611-V614 WeakPolarHBondContact O-CB 3.38Å; L611-V614 PolarHBondContact O-N 2.83Å; V614-I616 HydrophobicContact CG1-CG2 4.19Å; V614-M627 HydrophobicContact CG1-CE 3.86Å
615	D	98.1	Very high	97.2	Very high	73 Å²	73	29.6 Å²	29.6	39%	0.39	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.4	177.3	-167.7	-23.6	0	0	0	111.4	R617	D615-R617 VanDerWaalsContact CG-NE 3.28Å; D615-R617 WeakPolarHBondContact OD1-CB 3.45Å; D615-R617 WeakPolarHBondContact OD1-CG 3.34Å; D615-R617 IonicContact OD1-CZ 2.76Å; D615-R617 PolarHBondContact OD1-N 2.64Å; D615-R617 IonicContact OD1-NE 2.85Å; D615-R617 PolarHBondContact OD1-NE 3.3Å; D615-R617 IonicContact OD1-NH2 2.79Å; D615-R617 IonicContact OD2-CZ 2.97Å; D615-R617 IonicContact OD2-NE 3.65Å; D615-R617 PolarHBondContact OD2-NE 2.78Å; D615-R617 IonicContact OD2-NH2 3.23Å; D615-R617 PolarHBondContact OD2-NH2 2.64Å
616	I	97.6	Very high	97.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.16	C	C	.	.			trans	-126.6	2.3	179.2	63.8	164.9	0	0	0	112.6	G608 I609 L611 V614 R618 R619 R624 M627	G608-I616 WeakPolarHBondContact O-CG1 3.24Å; I609-I616 WeakPolarHBondContact O-CG1 3.26Å; I609-I616 PolarHBondContact O-N 3.43Å; L611-I616 HydrophobicContact CD1-CD1 3.65Å; L611-I616 HydrophobicContact CG-CD1 3.91Å; V614-I616 HydrophobicContact CG1-CG2 4.19Å; I616-R618 VanDerWaalsContact C-N 3.25Å; I616-R618 PolarHBondContact O-N 3Å; I616-R619 WeakPolarHBondContact O-CB 3.45Å; I616-R619 PolarHBondContact O-N 3.15Å; I616-R624 HydrophobicContact CB-CG 4.45Å; I616-R624 HydrophobicContact CD1-CB 4.17Å; I616-R624 HydrophobicContact CD1-CG 4.42Å; I616-R624 WeakPolarHBondContact O-CD 3.42Å; I616-R624 VanDerWaalsContact O-CG 3.25Å; I616-R624 WeakPolarHBondContact O-CG 3.33Å; I616-M627 HydrophobicContact CB-SD 4.26Å; I616-M627 HydrophobicContact CD1-CB 4.37Å; I616-M627 HydrophobicContact CG2-CE 3.39Å; I616-M627 HydrophobicContact CG2-SD 3.37Å; I616-M627 WeakPolarHBondContact CG2-SD 3.44Å
617	R	97.2	Very high	97.1	Very high	5 Å²	5	33 Å²	33	2%	0.019	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26	-162.9	85.6	-172.6	76.2	-162.8	-2.6	115	L498 L499 W502 I609 D615 S741 F742	L498-R617 VanDerWaalsContact O-CZ 3.29Å; L498-R617 PolarHBondContact O-NH1 2.76Å; L498-R617 PolarHBondContact O-NH2 3.29Å; L499-R617 PolarHBondContact O-NH1 3.44Å; W502-R617 HydrophobicContact CH2-CB 3.65Å; W502-R617 HydrophobicContact CH2-CG 3.67Å; W502-R617 HydrophobicContact CZ2-CB 4.42Å; W502-R617 HydrophobicContact CZ2-CG 3.94Å; W502-R617 HydrophobicContact CZ3-CB 3.75Å; W502-R617 HydrophobicContact CZ3-CG 4.05Å; I609-R617 HydrophobicContact CB-CB 4.38Å; I609-R617 HydrophobicContact CG2-CB 3.8Å; I609-R617 PolarHBondContact O-N 3.13Å; D615-R617 VanDerWaalsContact CG-NE 3.28Å; D615-R617 WeakPolarHBondContact OD1-CB 3.45Å; D615-R617 WeakPolarHBondContact OD1-CG 3.34Å; D615-R617 IonicContact OD1-CZ 2.76Å; D615-R617 PolarHBondContact OD1-N 2.64Å; D615-R617 IonicContact OD1-NE 2.85Å; D615-R617 PolarHBondContact OD1-NE 3.3Å; D615-R617 IonicContact OD1-NH2 2.79Å; D615-R617 IonicContact OD2-CZ 2.97Å; D615-R617 IonicContact OD2-NE 3.65Å; D615-R617 PolarHBondContact OD2-NE 2.78Å; D615-R617 IonicContact OD2-NH2 3.23Å; D615-R617 PolarHBondContact OD2-NH2 2.64Å; R617-S741 WeakPolarHBondContact O-CA 3.43Å; R617-S741 WeakPolarHBondContact O-CB 3.39Å; R617-F742 PolarHBondContact O-N 3.1Å
618	R	95.9	Very high	97.1	Very high	93 Å²	93	33 Å²	33	35%	0.351	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-0.3	-179.6	-66.8	-174.7	-179.5	76.8	6.2	113.6	D501 I616	D501-R618 IonicContact OD1-CZ 2.71Å; D501-R618 IonicContact OD1-NH1 3.37Å; D501-R618 PolarHBondContact OD1-NH1 2.89Å; D501-R618 IonicContact OD1-NH2 3.73Å; D501-R618 PolarHBondContact OD1-NH2 3.25Å; D501-R618 IonicContact OD2-CZ 2.82Å; D501-R618 IonicContact OD2-NH2 3.17Å; D501-R618 PolarHBondContact OD2-NH2 2.72Å; I616-R618 VanDerWaalsContact C-N 3.25Å; I616-R618 PolarHBondContact O-N 3Å
619	R	95.2	Very high	97.1	Very high	104 Å²	104	35.7 Å²	35.7	39%	0.392	18%	0.18	S	C	.	.	S	Bend	trans	-65.8	152.9	174.5	-65.6	-179.8	173.7	-98.6	4.9	110.1	I616 E623 R624 M627	I616-R619 WeakPolarHBondContact O-CB 3.45Å; I616-R619 PolarHBondContact O-N 3.15Å; R619-E623 HydrophobicContact CB-CB 4.18Å; R619-E623 IonicContact NH1-OE2 3.95Å; R619-E623 PolarHBondContact NH1-OE2 3.19Å; R619-R624 HydrophobicContact CB-CG 3.86Å; R619-R624 PolarHBondContact O-NH1 2.81Å; R619-M627 VanDerWaalsContact CD-SD 3.54Å
620	P	94	Very high	97.1	Very high	23 Å²	23	36 Å²	36	15%	0.149	18%	0.182	C	C	.	.			trans	-49.7	144.5	170.5	-27.2	35.1	0	0	0	112	R622 E623 R624 F739	P620-R622 VanDerWaalsContact C-N 3.3Å; P620-R622 PolarHBondContact O-N 3.47Å; P620-E623 HydrophobicContact CB-CG 4.33Å; P620-E623 HydrophobicContact CG-CG 4.47Å; P620-E623 WeakPolarHBondContact O-CB 3.47Å; P620-E623 PolarHBondContact O-N 2.63Å; P620-R624 PolarHBondContact O-N 3.03Å; P620-R624 VanDerWaalsContact O-N 3.07Å; P620-F739 HydrophobicContact CB-CB 4.29Å; P620-F739 HydrophobicContact CB-CD1 4.1Å; P620-F739 HydrophobicContact CB-CG 4.07Å; P620-F739 HydrophobicContact CG-CB 4.27Å; P620-F739 HydrophobicContact CG-CD1 4.35Å; P620-F739 HydrophobicContact CG-CD2 3.97Å; P620-F739 HydrophobicContact CG-CE2 4.4Å; P620-F739 HydrophobicContact CG-CG 3.94Å
621	Y	95.9	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-52.4	-45.3	-172	173.2	-114.8	0	0	0	113.1	Y533 E623 R624 V625 L653 F696	Y533-Y621 HydrophobicContact CD2-CD1 4.17Å; Y533-Y621 HydrophobicContact CD2-CE1 4.28Å; Y533-Y621 HydrophobicContact CG-CD1 4.46Å; Y533-Y621 HydrophobicContact CG-CE1 4.16Å; Y621-E623 VanDerWaalsContact C-N 3.32Å; Y621-E623 PolarHBondContact O-N 2.94Å; Y621-R624 WeakPolarHBondContact O-CB 3.43Å; Y621-R624 PolarHBondContact O-N 3.08Å; Y621-R624 VanDerWaalsContact O-N 3.17Å; Y621-V625 HydrophobicContact CD2-CG2 4.14Å; Y621-V625 HydrophobicContact CE1-CG2 4.19Å; Y621-V625 HydrophobicContact CE2-CG2 3.67Å; Y621-V625 WeakPolarHBondContact O-CG2 3.38Å; Y621-V625 PolarHBondContact O-N 3.21Å; Y621-L653 HydrophobicContact CE1-CD1 3.78Å; Y621-L653 HydrophobicContact CE1-CD2 4.32Å; Y621-L653 WeakPolarHBondContact OH-CD1 3.45Å; Y621-F696 HydrophobicContact CD1-CB 4.49Å; Y621-F696 HydrophobicContact CE1-CB 3.88Å; Y621-F696 HydrophobicContact CE2-CB 3.95Å; Y621-F696 HydrophobicContact CE2-CD1 4.3Å; Y621-F696 HydrophobicContact CE2-CD2 4.41Å; Y621-F696 AromaticContact CE2-CG 3.98Å; Y621-F696 HydrophobicContact CE2-CG 3.98Å; Y621-F696 AromaticContact CZ-CD2 3.92Å; Y621-F696 AromaticContact CZ-CG 3.77Å; Y621-F696 WeakPolarHBondContact OH-CD2 3.38Å
622	R	95.1	Very high	97.1	Very high	130 Å²	130	36 Å²	36	49%	0.491	18%	0.181	S	C	.	.	H	α-helix	trans	-61.9	-37.5	177.6	-65	177.5	72.1	151.7	-6.9	113.6	Y533 P620 V625 S626 E698	Y533-R622 HydrophobicContact CE1-CG 4.18Å; Y533-R622 HydrophobicContact CE2-CG 4.46Å; Y533-R622 WeakPolarHBondContact OH-CD 3.38Å; Y533-R622 PolarHBondContact OH-NH1 3.48Å; Y533-R622 VanDerWaalsContact OH-NH1 3.16Å; P620-R622 VanDerWaalsContact C-N 3.3Å; P620-R622 PolarHBondContact O-N 3.47Å; R622-V625 PolarHBondContact O-N 2.89Å; R622-S626 WeakPolarHBondContact O-CB 3.41Å; R622-S626 PolarHBondContact O-N 3.35Å; R622-E698 VanDerWaalsContact CD-OE1 3.25Å; R622-E698 WeakPolarHBondContact CD-OE1 3.48Å; R622-E698 WeakPolarHBondContact CG-OE1 3.27Å
623	E	96.1	Very high	97.1	Very high	90 Å²	90	39.7 Å²	39.7	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-66.5	-41.2	176.1	-68.4	-177.2	-153	0	0	110.6	R619 P620 Y621 V625 S626 M627	R619-E623 HydrophobicContact CB-CB 4.18Å; R619-E623 IonicContact NH1-OE2 3.95Å; R619-E623 PolarHBondContact NH1-OE2 3.19Å; P620-E623 HydrophobicContact CB-CG 4.33Å; P620-E623 HydrophobicContact CG-CG 4.47Å; P620-E623 WeakPolarHBondContact O-CB 3.47Å; P620-E623 PolarHBondContact O-N 2.63Å; Y621-E623 VanDerWaalsContact C-N 3.32Å; Y621-E623 PolarHBondContact O-N 2.94Å; E623-V625 PolarHBondContact O-N 2.8Å; E623-S626 PolarHBondContact O-N 3.4Å; E623-M627 WeakPolarHBondContact O-CB 3.18Å; E623-M627 VanDerWaalsContact O-CG 3.29Å; E623-M627 WeakPolarHBondContact O-CG 3.28Å; E623-M627 PolarHBondContact O-N 3.07Å
624	R	97.9	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-45.3	175.6	-61.5	-163.1	-53.2	-93.1	7.1	111.9	D607 I616 R619 P620 Y621 M627 C628 A740 F742 S745	D607-R624 VanDerWaalsContact OD1-CB 3.28Å; D607-R624 WeakPolarHBondContact OD1-CB 3.44Å; D607-R624 IonicContact OD1-CZ 3.01Å; D607-R624 IonicContact OD1-NE 2.8Å; D607-R624 PolarHBondContact OD1-NE 3.36Å; D607-R624 IonicContact OD1-NH2 2.72Å; D607-R624 IonicContact OD2-CZ 3.8Å; D607-R624 IonicContact OD2-NE 2.93Å; D607-R624 PolarHBondContact OD2-NE 3.32Å; D607-R624 IonicContact OD2-NH2 3.47Å; D607-R624 PolarHBondContact OD2-NH2 3.18Å; I616-R624 HydrophobicContact CB-CG 4.45Å; I616-R624 HydrophobicContact CD1-CB 4.17Å; I616-R624 HydrophobicContact CD1-CG 4.42Å; I616-R624 WeakPolarHBondContact O-CD 3.42Å; I616-R624 VanDerWaalsContact O-CG 3.25Å; I616-R624 WeakPolarHBondContact O-CG 3.33Å; R619-R624 HydrophobicContact CB-CG 3.86Å; R619-R624 PolarHBondContact O-NH1 2.81Å; P620-R624 PolarHBondContact O-N 3.03Å; P620-R624 VanDerWaalsContact O-N 3.07Å; Y621-R624 WeakPolarHBondContact O-CB 3.43Å; Y621-R624 PolarHBondContact O-N 3.08Å; Y621-R624 VanDerWaalsContact O-N 3.17Å; R624-M627 PolarHBondContact O-N 3.05Å; R624-C628 PolarHBondContact O-N 3.24Å; R624-C628 PolarHBondContact O-SG 2.86Å; R624-A740 PolarHBondContact NH1-O 3.15Å; R624-F742 VanDerWaalsContact CZ-N 3.31Å; R624-S745 PolarHBondContact NH2-OG 3.28Å; R624-S745 VanDerWaalsContact NH2-OG 3.08Å
625	V	98	Very high	97.1	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-43	177.8	177.2	0	0	0	0	111.2	Y621 R622 E623 M627 C628 D629 L653	Y621-V625 HydrophobicContact CD2-CG2 4.14Å; Y621-V625 HydrophobicContact CE1-CG2 4.19Å; Y621-V625 HydrophobicContact CE2-CG2 3.67Å; Y621-V625 WeakPolarHBondContact O-CG2 3.38Å; Y621-V625 PolarHBondContact O-N 3.21Å; R622-V625 PolarHBondContact O-N 2.89Å; E623-V625 PolarHBondContact O-N 2.8Å; V625-M627 VanDerWaalsContact C-N 3.3Å; V625-M627 PolarHBondContact O-N 3.21Å; V625-C628 WeakPolarHBondContact O-CB 3.46Å; V625-C628 PolarHBondContact O-N 3.41Å; V625-C628 VanDerWaalsContact O-N 3.16Å; V625-D629 PolarHBondContact O-N 2.93Å; V625-L653 HydrophobicContact CB-CD2 4.27Å; V625-L653 HydrophobicContact CG1-CB 4.1Å; V625-L653 HydrophobicContact CG1-CD2 4.06Å; V625-L653 HydrophobicContact CG1-CG 4.48Å; V625-L653 HydrophobicContact CG2-CD2 4.36Å
626	S	97.9	Very high	97	Very high	46 Å²	46	33.8 Å²	33.8	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-59.3	-40.5	174	173.7	0	0	0	0	112	R622 E623 D629 K630	R622-S626 WeakPolarHBondContact O-CB 3.41Å; R622-S626 PolarHBondContact O-N 3.35Å; E623-S626 PolarHBondContact O-N 3.4Å; S626-D629 PolarHBondContact O-N 2.98Å; S626-K630 WeakPolarHBondContact O-CB 3.33Å; S626-K630 PolarHBondContact O-N 3.02Å
627	M	98.4	Very high	96.8	Very high	26 Å²	26	34.8 Å²	34.8	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-35.4	174.8	-69.5	-174.5	77	0	0	112.7	W231 L611 V614 I616 R619 E623 R624 V625 K630 F631	W231-M627 HydrophobicContact CH2-CB 4.39Å; W231-M627 HydrophobicContact CH2-CE 4.02Å; W231-M627 HydrophobicContact CZ2-CE 4.19Å; L611-M627 HydrophobicContact CD1-CB 4.26Å; V614-M627 HydrophobicContact CG1-CE 3.86Å; I616-M627 HydrophobicContact CB-SD 4.26Å; I616-M627 HydrophobicContact CD1-CB 4.37Å; I616-M627 HydrophobicContact CG2-CE 3.39Å; I616-M627 HydrophobicContact CG2-SD 3.37Å; I616-M627 WeakPolarHBondContact CG2-SD 3.44Å; R619-M627 VanDerWaalsContact CD-SD 3.54Å; E623-M627 WeakPolarHBondContact O-CB 3.18Å; E623-M627 VanDerWaalsContact O-CG 3.29Å; E623-M627 WeakPolarHBondContact O-CG 3.28Å; E623-M627 PolarHBondContact O-N 3.07Å; R624-M627 PolarHBondContact O-N 3.05Å; V625-M627 VanDerWaalsContact C-N 3.3Å; V625-M627 PolarHBondContact O-N 3.21Å; M627-K630 PolarHBondContact O-N 3.44Å; M627-F631 VanDerWaalsContact O-CB 3.25Å; M627-F631 WeakPolarHBondContact O-CB 3.3Å; M627-F631 PolarHBondContact O-N 2.9Å
628	C	98.7	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.8	-39.6	173.1	-67.5	0	0	0	0	111.9	I605 G608 R624 V625 F631 A632	I605-C628 HydrophobicContact CB-CB 4.44Å; I605-C628 HydrophobicContact CG2-CB 3.72Å; G608-C628 PolarHBondContact N-SG 3.32Å; R624-C628 PolarHBondContact O-N 3.24Å; R624-C628 PolarHBondContact O-SG 2.86Å; V625-C628 WeakPolarHBondContact O-CB 3.46Å; V625-C628 PolarHBondContact O-N 3.41Å; V625-C628 VanDerWaalsContact O-N 3.16Å; C628-F631 PolarHBondContact O-N 3.23Å; C628-A632 WeakPolarHBondContact O-CB 3.33Å; C628-A632 PolarHBondContact O-N 3.42Å
629	D	97.9	Very high	96.3	Very high	58 Å²	58	36.9 Å²	36.9	31%	0.31	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-52	173.2	175.3	75.2	0	0	0	111.9	V625 S626 F631 A632 R633 S650	V625-D629 PolarHBondContact O-N 2.93Å; S626-D629 PolarHBondContact O-N 2.98Å; D629-F631 VanDerWaalsContact C-N 3.29Å; D629-F631 PolarHBondContact O-N 3.34Å; D629-A632 PolarHBondContact O-N 3.25Å; D629-R633 PolarHBondContact O-N 3.27Å; D629-R633 IonicContact OD1-NE 3.54Å; D629-R633 IonicContact OD2-CZ 3.59Å; D629-R633 VanDerWaalsContact OD2-CZ 3.27Å; D629-R633 IonicContact OD2-NE 3.37Å; D629-R633 PolarHBondContact OD2-NE 3.28Å; D629-R633 IonicContact OD2-NH2 3.45Å; D629-R633 PolarHBondContact OD2-NH2 3.31Å; D629-S650 VanDerWaalsContact CA-CB 3.43Å
630	K	98.2	Very high	95.9	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-55.7	-45.3	175.8	-175.4	-178.9	174.7	170.2	0	111.4	P205 E207 L208 W231 E232 S626 M627 R633 S634	P205-K630 WeakPolarHBondContact O-CD 3.47Å; P205-K630 PolarHBondContact O-NZ 2.9Å; E207-K630 WeakPolarHBondContact O-CE 3.46Å; E207-K630 PolarHBondContact O-NZ 3.48Å; L208-K630 HydrophobicContact CD2-CD 4.45Å; L208-K630 HydrophobicContact CD2-CG 3.61Å; L208-K630 HydrophobicContact CG-CG 4.15Å; W231-K630 HydrophobicContact CZ3-CB 4.11Å; W231-K630 HydrophobicContact CZ3-CD 4.06Å; W231-K630 HydrophobicContact CZ3-CG 3.89Å; E232-K630 IonicContact OE1-NZ 3.16Å; E232-K630 PolarHBondContact OE1-NZ 3.18Å; S626-K630 WeakPolarHBondContact O-CB 3.33Å; S626-K630 PolarHBondContact O-N 3.02Å; M627-K630 PolarHBondContact O-N 3.44Å; K630-R633 PolarHBondContact O-N 3.31Å; K630-S634 PolarHBondContact O-N 3.4Å
631	F	98.6	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-49.7	176	-179.1	-105.8	0	0	0	111.8	W231 V576 Q577 S580 I605 L611 M627 C628 D629 R633 S634 L635 L648	W231-F631 HydrophobicContact CB-CD2 3.84Å; W231-F631 HydrophobicContact CB-CE2 4.03Å; W231-F631 AromaticContact CD1-CD2 3.94Å; W231-F631 AromaticContact CD1-CE2 3.96Å; W231-F631 HydrophobicContact CD2-CB 4.35Å; W231-F631 AromaticContact CD2-CD2 3.46Å; W231-F631 HydrophobicContact CD2-CD2 3.46Å; W231-F631 VanDerWaalsContact CD2-CD2 3.46Å; W231-F631 HydrophobicContact CD2-CE2 4.24Å; W231-F631 HydrophobicContact CD2-CG 4.39Å; W231-F631 AromaticContact CE2-CD2 3.85Å; W231-F631 HydrophobicContact CE3-CB 3.85Å; W231-F631 AromaticContact CE3-CD2 3.79Å; W231-F631 HydrophobicContact CE3-CD2 3.79Å; W231-F631 HydrophobicContact CE3-CG 4.34Å; W231-F631 AromaticContact CG-CD2 3.49Å; W231-F631 HydrophobicContact CG-CD2 3.49Å; W231-F631 VanDerWaalsContact CG-CD2 3.49Å; W231-F631 AromaticContact CG-CE2 3.82Å; W231-F631 HydrophobicContact CG-CE2 3.82Å; W231-F631 HydrophobicContact CH2-CB 4.22Å; W231-F631 HydrophobicContact CZ2-CD2 4.48Å; W231-F631 HydrophobicContact CZ3-CB 3.78Å; W231-F631 HydrophobicContact CZ3-CD2 4.41Å; V576-F631 HydrophobicContact CG1-CE1 4.35Å; V576-F631 HydrophobicContact CG1-CZ 4.32Å; Q577-F631 HydrophobicContact CB-CE2 4.06Å; Q577-F631 HydrophobicContact CB-CZ 4.12Å; S580-F631 WeakPolarHBondContact OG-CZ 3.46Å; I605-F631 HydrophobicContact CD1-CD1 3.69Å; I605-F631 HydrophobicContact CD1-CE1 4.13Å; L611-F631 HydrophobicContact CB-CD2 3.89Å; L611-F631 HydrophobicContact CB-CE2 4.15Å; L611-F631 HydrophobicContact CB-CG 4.13Å; L611-F631 HydrophobicContact CD1-CB 3.83Å; L611-F631 HydrophobicContact CD1-CG 4.15Å; L611-F631 HydrophobicContact CD2-CD1 3.99Å; L611-F631 HydrophobicContact CD2-CE1 4.23Å; L611-F631 HydrophobicContact CD2-CG 4.24Å; L611-F631 HydrophobicContact CG-CG 4.4Å; M627-F631 VanDerWaalsContact O-CB 3.25Å; M627-F631 WeakPolarHBondContact O-CB 3.3Å; M627-F631 PolarHBondContact O-N 2.9Å; C628-F631 PolarHBondContact O-N 3.23Å; D629-F631 VanDerWaalsContact C-N 3.29Å; D629-F631 PolarHBondContact O-N 3.34Å; F631-R633 PolarHBondContact O-N 2.88Å; F631-S634 PolarHBondContact O-N 3.15Å; F631-S634 PolarHBondContact O-OG 2.97Å; F631-L635 HydrophobicContact CD1-CD1 4.3Å; F631-L635 HydrophobicContact CD2-CD1 4.4Å; F631-L635 HydrophobicContact CE1-CD1 3.7Å; F631-L635 HydrophobicContact CE2-CD1 3.83Å; F631-L635 HydrophobicContact CE2-CG 4.5Å; F631-L635 HydrophobicContact CZ-CD1 3.45Å; F631-L635 VanDerWaalsContact CZ-CD1 3.45Å; F631-L635 PolarHBondContact O-N 3.07Å; F631-L648 HydrophobicContact CE1-CD2 4.5Å
632	A	98	Very high	94.6	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-45.1	178.5	0	0	0	0	0	112.1	I605 C628 D629 S634 L635 N636 L648 R649	I605-A632 HydrophobicContact CD1-CB 4.4Å; C628-A632 WeakPolarHBondContact O-CB 3.33Å; C628-A632 PolarHBondContact O-N 3.42Å; D629-A632 PolarHBondContact O-N 3.25Å; A632-S634 VanDerWaalsContact C-N 3.29Å; A632-S634 PolarHBondContact O-N 3.29Å; A632-L635 PolarHBondContact O-N 3.04Å; A632-N636 WeakPolarHBondContact O-CB 3.42Å; A632-N636 PolarHBondContact O-N 2.69Å; A632-L648 HydrophobicContact CB-CD2 4.47Å; A632-L648 HydrophobicContact CB-CG 4.17Å; A632-R649 VanDerWaalsContact CB-C 3.46Å
633	R	96.6	Very high	93.7	Very high	91 Å²	91	45.6 Å²	45.6	34%	0.343	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-35.7	176.5	-75.5	-169.7	-74.5	134.1	-0.1	113	D206 L208 K234 D629 K630 F631	D206-R633 PolarHBondContact O-NH2 3.04Å; L208-R633 HydrophobicContact CD1-CB 3.89Å; K234-R633 PolarHBondContact NZ-O 3Å; D629-R633 PolarHBondContact O-N 3.27Å; D629-R633 IonicContact OD1-NE 3.54Å; D629-R633 IonicContact OD2-CZ 3.59Å; D629-R633 VanDerWaalsContact OD2-CZ 3.27Å; D629-R633 IonicContact OD2-NE 3.37Å; D629-R633 PolarHBondContact OD2-NE 3.28Å; D629-R633 IonicContact OD2-NH2 3.45Å; D629-R633 PolarHBondContact OD2-NH2 3.31Å; K630-R633 PolarHBondContact O-N 3.31Å; F631-R633 PolarHBondContact O-N 2.88Å
634	S	97.9	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-41.7	179.6	76	0	0	0	0	112.4	W231 K234 K630 F631 A632	W231-S634 WeakPolarHBondContact O-CB 3.1Å; W231-S634 PolarHBondContact O-OG 2.93Å; K234-S634 PolarHBondContact NZ-O 2.76Å; K630-S634 PolarHBondContact O-N 3.4Å; F631-S634 PolarHBondContact O-N 3.15Å; F631-S634 PolarHBondContact O-OG 2.97Å; A632-S634 VanDerWaalsContact C-N 3.29Å; A632-S634 PolarHBondContact O-N 3.29Å
635	L	97.1	Very high	92.9	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-91.8	-26.6	-173.9	-50.9	-174.3	0	0	0	112.8	W231 E257 Q577 F631 A632 L648	W231-L635 HydrophobicContact CB-CD2 4.45Å; E257-L635 HydrophobicContact CB-CD2 3.78Å; Q577-L635 HydrophobicContact CB-CD1 4.29Å; F631-L635 HydrophobicContact CD1-CD1 4.3Å; F631-L635 HydrophobicContact CD2-CD1 4.4Å; F631-L635 HydrophobicContact CE1-CD1 3.7Å; F631-L635 HydrophobicContact CE2-CD1 3.83Å; F631-L635 HydrophobicContact CE2-CG 4.5Å; F631-L635 HydrophobicContact CZ-CD1 3.45Å; F631-L635 VanDerWaalsContact CZ-CD1 3.45Å; F631-L635 PolarHBondContact O-N 3.07Å; A632-L635 PolarHBondContact O-N 3.04Å; L635-L648 HydrophobicContact CB-CD2 3.85Å; L635-L648 HydrophobicContact CD1-CD2 3.8Å; L635-L648 HydrophobicContact CG-CD2 4.27Å
636	N	95	Very high	92.7	Very high	22 Å²	22	49.9 Å²	49.9	12%	0.118	24%	0.238	C	C	.	.			trans	-68.6	135.1	-177.7	-166.2	30.9	0	0	0	111.3	K234 A632 P638 L648	K234-N636 PolarHBondContact NZ-O 3.36Å; A632-N636 WeakPolarHBondContact O-CB 3.42Å; A632-N636 PolarHBondContact O-N 2.69Å; N636-P638 WeakPolarHBondContact O-CD 3.32Å; N636-L648 HydrophobicContact CB-CB 4.5Å; N636-L648 VanDerWaalsContact CB-O 3.3Å; N636-L648 WeakPolarHBondContact CB-O 3.45Å; N636-L648 PolarHBondContact ND2-O 3.46Å; N636-L648 PolarHBondContact OD1-N 3.43Å
637	K	93.6	Very high	92.5	Very high	23 Å²	23	48.4 Å²	48.4	10%	0.1	23%	0.229	C	C	.	.			trans	-122.9	61.7	-179.2	-59.3	175.3	-176.3	162.9	0	110.1	E257 F259 D260 E575 Y639 R640	E257-K637 WeakPolarHBondContact O-CE 3.5Å; F259-K637 WeakPolarHBondContact O-CE 3.34Å; F259-K637 PolarHBondContact O-NZ 3.26Å; F259-K637 VanDerWaalsContact O-NZ 3.1Å; D260-K637 HydrophobicContact CB-CD 4.27Å; D260-K637 WeakPolarHBondContact OD2-CB 3.44Å; D260-K637 WeakPolarHBondContact OD2-CD 3.4Å; D260-K637 WeakPolarHBondContact OD2-CG 3.48Å; E575-K637 IonicContact OE1-NZ 3.13Å; E575-K637 PolarHBondContact OE1-NZ 2.76Å; E575-K637 VanDerWaalsContact OE2-CD 3.31Å; E575-K637 WeakPolarHBondContact OE2-CD 3.29Å; E575-K637 WeakPolarHBondContact OE2-CE 3.39Å; E575-K637 IonicContact OE2-NZ 2.73Å; E575-K637 PolarHBondContact OE2-NZ 2.73Å; K637-Y639 PolarHBondContact O-N 3.25Å; K637-Y639 VanDerWaalsContact O-N 3.1Å; K637-R640 HydrophobicContact CB-CG 4.04Å; K637-R640 PolarHBondContact O-N 3.14Å
638	P	90.2	Very high	92.3	Very high	43 Å²	43	47.4 Å²	47.4	28%	0.279	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.2	-165.2	27.2	-35.4	0	0	0	114	N636	N636-P638 WeakPolarHBondContact O-CD 3.32Å
639	Y	91.5	Very high	92.2	Very high	99 Å²	99	48.7 Å²	48.7	39%	0.388	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3.4	-176.5	-47.1	-65.8	0	0	0	113.7	M286 H287 K637	M286-Y639 HydrophobicContact CB-CD1 4.43Å; M286-Y639 HydrophobicContact CB-CD2 3.72Å; M286-Y639 HydrophobicContact CB-CE1 4.38Å; M286-Y639 HydrophobicContact CB-CE2 3.68Å; M286-Y639 HydrophobicContact CB-CG 4.12Å; M286-Y639 HydrophobicContact CE-CG 4.04Å; M286-Y639 WeakPolarHBondContact O-CE2 3.34Å; M286-Y639 PolarHBondContact O-OH 3.2Å; M286-Y639 HydrophobicContact SD-CD1 3.82Å; M286-Y639 HydrophobicContact SD-CD2 4.47Å; M286-Y639 HydrophobicContact SD-CE1 4.33Å; M286-Y639 HydrophobicContact SD-CG 3.91Å; H287-Y639 AromaticContact CE1-CD2 3.45Å; H287-Y639 VanDerWaalsContact CE1-CD2 3.45Å; H287-Y639 WeakPolarHBondContact CE1-CD2 3.39Å; H287-Y639 AromaticContact ND1-CD2 3.75Å; H287-Y639 AromaticContact NE2-CD2 3.6Å; K637-Y639 PolarHBondContact O-N 3.25Å; K637-Y639 VanDerWaalsContact O-N 3.1Å
640	R	87.4	Confident	92.1	Very high	45 Å²	45	46.7 Å²	46.7	17%	0.17	22%	0.219	C	C	.	.			trans	-65	138.1	172.4	-88	-168.5	170	-156	-5	111.3	D260 T261 K637 D642	D260-R640 IonicContact OD1-CZ 2.79Å; D260-R640 IonicContact OD1-NE 3.89Å; D260-R640 PolarHBondContact OD1-NE 3.42Å; D260-R640 IonicContact OD1-NH2 3.73Å; D260-R640 PolarHBondContact OD1-NH2 2.94Å; D260-R640 IonicContact OD2-NE 3.16Å; T261-R640 PolarHBondContact O-NH2 2.84Å; T261-R640 PolarHBondContact OG1-NH2 2.9Å; K637-R640 HydrophobicContact CB-CG 4.04Å; K637-R640 PolarHBondContact O-N 3.14Å; R640-D642 IonicContact NH1-OD2 3.73Å
641	K	82.9	Confident	92	Very high	148 Å²	148	46.5 Å²	46.5	64%	0.643	22%	0.218	S	C	*	.	S	Bend	trans	-73.2	-41.1	176.3	-65.9	178	-173.4	162.4	0	111.2	E267 R643	E267-K641 IonicContact OE1-NZ 2.83Å; E267-K641 PolarHBondContact OE1-NZ 2.82Å; K641-R643 PolarHBondContact O-N 3.26Å; K641-R643 VanDerWaalsContact O-N 3.15Å
642	D	79.3	Confident	91.8	Very high	78 Å²	78	48.3 Å²	48.3	42%	0.417	23%	0.23	S	C	.	.	S	Bend	trans	-76.5	97.7	174.6	69.1	-53.3	0	0	0	108.7	R640 T644	R640-D642 IonicContact NH1-OD2 3.73Å; D642-T644 HydrophobicContact CB-CG2 4.04Å; D642-T644 PolarHBondContact O-N 3.31Å; D642-T644 PolarHBondContact O-OG1 2.96Å; D642-T644 WeakPolarHBondContact OD2-CG2 3.1Å; D642-T644 PolarHBondContact OD2-OG1 3.33Å
643	R	77.3	Confident	91.8	Very high	169 Å²	169	50.7 Å²	50.7	64%	0.638	24%	0.242	S	C	*	.			trans	-75.1	49.2	178.6	-61.5	-177	-179.5	178.9	2.2	111.7	K641 F645	K641-R643 PolarHBondContact O-N 3.26Å; K641-R643 VanDerWaalsContact O-N 3.15Å; R643-F645 VanDerWaalsContact C-N 3.32Å; R643-F645 PolarHBondContact O-N 2.87Å
644	T	85.3	Confident	91.8	Very high	77 Å²	77	47.5 Å²	47.5	47%	0.472	23%	0.231	S	C	.	.			trans	-68.4	-30.5	-174	43	0	0	0	0	112.7	D642	D642-T644 HydrophobicContact CB-CG2 4.04Å; D642-T644 PolarHBondContact O-N 3.31Å; D642-T644 PolarHBondContact O-OG1 2.96Å; D642-T644 WeakPolarHBondContact OD2-CG2 3.1Å; D642-T644 PolarHBondContact OD2-OG1 3.33Å
645	F	91.7	Very high	91.8	Very high	91 Å²	91	52.6 Å²	52.6	40%	0.399	25%	0.25	S	C	.	.	S	Bend	trans	-120	147.9	178	-60.1	-83.4	0	0	0	111.4	A573 E575 R643	A573-F645 HydrophobicContact CB-CD1 3.7Å; A573-F645 HydrophobicContact CB-CE1 4.05Å; A573-F645 WeakPolarHBondContact O-CA 3.39Å; E575-F645 HydrophobicContact CG-CB 4.34Å; E575-F645 HydrophobicContact CG-CD1 3.7Å; E575-F645 HydrophobicContact CG-CD2 3.65Å; E575-F645 HydrophobicContact CG-CE1 3.79Å; E575-F645 HydrophobicContact CG-CE2 3.74Å; E575-F645 HydrophobicContact CG-CG 3.63Å; E575-F645 HydrophobicContact CG-CZ 3.8Å; E575-F645 WeakPolarHBondContact OE1-CE2 3.45Å; R643-F645 VanDerWaalsContact C-N 3.32Å; R643-F645 PolarHBondContact O-N 2.87Å
646	G	92.4	Very high	91.7	Very high	21 Å²	21	52.5 Å²	52.5	22%	0.216	25%	0.249	C	C	.	.			trans	-67.8	154.1	170.3	0	0	0	0	0	111.6	A573 A601	A573-G646 PolarHBondContact O-N 2.68Å; A601-G646 WeakPolarHBondContact O-CA 3.4Å
647	A	93.9	Very high	91.7	Very high	15 Å²	15	54 Å²	54	12%	0.124	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	144.8	179.7	0	0	0	0	0	111.4	A602 L603	A602-A647 CarbonylContact C-O 3.5Å; A602-A647 WeakPolarHBondContact CA-O 3.4Å; A602-A647 HydrophobicContact CB-CB 4.06Å; L603-A647 PolarHBondContact N-O 3.48Å
648	L	95.6	Very high	91.8	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	171.1	-171.7	70.1	0	0	0	109.3	V576 L603 I605 F631 A632 L635 N636	V576-L648 HydrophobicContact CG2-CD1 4.4Å; L603-L648 HydrophobicContact CB-CD1 3.85Å; L603-L648 HydrophobicContact CD2-CD1 3.73Å; L603-L648 HydrophobicContact CG-CD1 3.74Å; L603-L648 WeakPolarHBondContact O-CA 3.32Å; I605-L648 HydrophobicContact CD1-CD1 4.11Å; I605-L648 HydrophobicContact CD1-CD2 4.42Å; I605-L648 HydrophobicContact CD1-CG 4.36Å; I605-L648 HydrophobicContact CG1-CD1 4.11Å; F631-L648 HydrophobicContact CE1-CD2 4.5Å; A632-L648 HydrophobicContact CB-CD2 4.47Å; A632-L648 HydrophobicContact CB-CG 4.17Å; L635-L648 HydrophobicContact CB-CD2 3.85Å; L635-L648 HydrophobicContact CD1-CD2 3.8Å; L635-L648 HydrophobicContact CG-CD2 4.27Å; N636-L648 HydrophobicContact CB-CB 4.5Å; N636-L648 VanDerWaalsContact CB-O 3.3Å; N636-L648 WeakPolarHBondContact CB-O 3.45Å; N636-L648 PolarHBondContact ND2-O 3.46Å; N636-L648 PolarHBondContact OD1-N 3.43Å
649	R	95.6	Very high	92	Very high	27 Å²	27	53.5 Å²	53.5	10%	0.102	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.4	179.1	-58.9	-169.6	-164.2	-100.6	4	111.3	E589 L603 H604 I605 A632 D684	E589-R649 WeakPolarHBondContact OE1-CD 3.07Å; E589-R649 IonicContact OE1-CZ 3.59Å; E589-R649 IonicContact OE1-NE 2.96Å; E589-R649 PolarHBondContact OE1-NE 2.9Å; E589-R649 IonicContact OE1-NH2 2.78Å; E589-R649 IonicContact OE2-CZ 2.72Å; E589-R649 IonicContact OE2-NE 3.35Å; E589-R649 IonicContact OE2-NH2 2.69Å; E589-R649 PolarHBondContact OE2-NH2 3.1Å; L603-R649 PolarHBondContact O-N 2.86Å; H604-R649 CarbonylContact C-O 3.54Å; H604-R649 VanDerWaalsContact CA-O 3.31Å; H604-R649 WeakPolarHBondContact CA-O 3.4Å; I605-R649 PolarHBondContact N-O 2.87Å; A632-R649 VanDerWaalsContact CB-C 3.46Å; R649-D684 IonicContact CZ-OD1 3.15Å; R649-D684 IonicContact CZ-OD2 3.63Å; R649-D684 IonicContact NH1-OD1 3.93Å; R649-D684 IonicContact NH1-OD2 2.69Å; R649-D684 IonicContact NH2-OD1 2.72Å; R649-D684 PolarHBondContact NH2-OD1 2.91Å; R649-D684 IonicContact NH2-OD2 3.98Å; R649-D684 PolarHBondContact NH2-OD2 2.97Å
650	S	96.8	Very high	92.1	Very high	16 Å²	16	50.9 Å²	50.9	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.7	157.4	-174.4	0	0	0	0	109.4	I605 D629	I605-S650 CarbonylContact O-C 3.55Å; I605-S650 WeakPolarHBondContact O-CA 3.46Å; D629-S650 VanDerWaalsContact CA-CB 3.43Å
651	K	95.8	Very high	92.3	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.017	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67	139.7	172.8	-77.1	-67	-174.1	167.1	0	109.8	V535 P536 H604 I605 I606 L653	V535-K651 HydrophobicContact CB-CB 3.95Å; V535-K651 HydrophobicContact CG1-CB 4.1Å; P536-K651 VanDerWaalsContact O-CD 3.28Å; P536-K651 WeakPolarHBondContact O-CD 3.36Å; P536-K651 WeakPolarHBondContact O-CE 3.07Å; P536-K651 PolarHBondContact O-NZ 3.44Å; H604-K651 HydrophobicContact CB-CD 3.92Å; H604-K651 VanDerWaalsContact CB-CE 3.48Å; H604-K651 HydrophobicContact CB-CG 3.99Å; H604-K651 WeakPolarHBondContact ND1-CD 3.3Å; H604-K651 WeakPolarHBondContact ND1-CE 3.49Å; I605-K651 PolarHBondContact O-N 3.11Å; I606-K651 HydrophobicContact CG1-CB 4.39Å; I606-K651 HydrophobicContact CG1-CG 3.78Å; K651-L653 PolarHBondContact O-N 3.44Å
652	P	94.5	Very high	92.9	Very high	37 Å²	37	44.2 Å²	44.2	24%	0.24	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63	134.7	173.1	27.9	-34.9	0	0	0	109.8	P536 F654 F680	P536-P652 WeakPolarHBondContact CD-O 3.49Å; P536-P652 HydrophobicContact CG-CG 3.94Å; P652-F654 HydrophobicContact CB-CE2 3.69Å; P652-F654 HydrophobicContact CB-CZ 3.99Å; P652-F654 HydrophobicContact CG-CE2 3.84Å; P652-F654 HydrophobicContact CG-CZ 4.36Å; P652-F680 HydrophobicContact CB-CE1 4.4Å; P652-F680 HydrophobicContact CB-CZ 4.23Å; P652-F680 HydrophobicContact CG-CD1 4.44Å; P652-F680 HydrophobicContact CG-CE1 3.64Å; P652-F680 HydrophobicContact CG-CZ 3.77Å
653	L	96.4	Very high	93.6	Very high	52 Å²	52	41 Å²	41	27%	0.272	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-102	127.9	-178.4	-173.2	71.4	0	0	0	110.3	Y533 V535 Y621 V625 K651	Y533-L653 HydrophobicContact CD1-CD1 4.49Å; Y533-L653 HydrophobicContact CD1-CD2 3.92Å; Y533-L653 HydrophobicContact CD1-CG 4.06Å; Y533-L653 HydrophobicContact CG-CD1 4.44Å; Y533-L653 HydrophobicContact CG-CD2 4.43Å; Y533-L653 HydrophobicContact CG-CG 4.5Å; V535-L653 HydrophobicContact CG1-CD1 3.86Å; Y621-L653 HydrophobicContact CE1-CD1 3.78Å; Y621-L653 HydrophobicContact CE1-CD2 4.32Å; Y621-L653 WeakPolarHBondContact OH-CD1 3.45Å; V625-L653 HydrophobicContact CB-CD2 4.27Å; V625-L653 HydrophobicContact CG1-CB 4.1Å; V625-L653 HydrophobicContact CG1-CD2 4.06Å; V625-L653 HydrophobicContact CG1-CG 4.48Å; V625-L653 HydrophobicContact CG2-CD2 4.36Å; K651-L653 PolarHBondContact O-N 3.44Å
654	F	97.5	Very high	94.3	Very high	25 Å²	25	36.7 Å²	36.7	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145	177.4	-61.6	-87.1	0	0	0	110.3	Y533 F534 P652 F662 F680	Y533-F654 CarbonylContact C-O 3.52Å; Y533-F654 WeakPolarHBondContact CA-O 3Å; Y533-F654 WeakPolarHBondContact CB-O 3.25Å; F534-F654 HydrophobicContact CD1-CB 3.98Å; F534-F654 HydrophobicContact CD2-CB 4.23Å; F534-F654 HydrophobicContact CD2-CD2 4.43Å; F534-F654 HydrophobicContact CE1-CB 3.51Å; F534-F654 HydrophobicContact CE2-CB 3.79Å; F534-F654 AromaticContact CE2-CD2 3.95Å; F534-F654 HydrophobicContact CE2-CD2 3.95Å; F534-F654 HydrophobicContact CE2-CG 4.05Å; F534-F654 HydrophobicContact CG-CB 4.32Å; F534-F654 HydrophobicContact CZ-CB 3.4Å; F534-F654 HydrophobicContact CZ-CD2 4.32Å; F534-F654 AromaticContact CZ-CG 3.94Å; F534-F654 HydrophobicContact CZ-CG 3.94Å; F534-F654 PolarHBondContact N-O 2.87Å; F534-F654 PolarHBondContact O-N 2.91Å; P652-F654 HydrophobicContact CB-CE2 3.69Å; P652-F654 HydrophobicContact CB-CZ 3.99Å; P652-F654 HydrophobicContact CG-CE2 3.84Å; P652-F654 HydrophobicContact CG-CZ 4.36Å; F654-F662 HydrophobicContact CD1-CB 3.89Å; F654-F662 HydrophobicContact CD2-CB 4.34Å; F654-F662 AromaticContact CD2-CD2 3.94Å; F654-F662 HydrophobicContact CD2-CD2 3.94Å; F654-F662 HydrophobicContact CD2-CG 4.42Å; F654-F662 HydrophobicContact CE1-CB 4.03Å; F654-F662 HydrophobicContact CE1-CD2 4.32Å; F654-F662 HydrophobicContact CE2-CB 4.47Å; F654-F662 AromaticContact CE2-CD2 3.54Å; F654-F662 HydrophobicContact CE2-CD2 3.54Å; F654-F662 HydrophobicContact CE2-CE2 4.25Å; F654-F662 HydrophobicContact CE2-CG 4.38Å; F654-F662 HydrophobicContact CG-CB 4.05Å; F654-F662 HydrophobicContact CG-CD2 4.49Å; F654-F662 HydrophobicContact CZ-CB 4.33Å; F654-F662 AromaticContact CZ-CD2 3.77Å; F654-F662 HydrophobicContact CZ-CD2 3.77Å; F654-F680 HydrophobicContact CE2-CE2 4.15Å; F654-F680 HydrophobicContact CE2-CZ 4.22Å; F654-F680 AromaticContact CZ-CE2 3.68Å; F654-F680 HydrophobicContact CZ-CE2 3.68Å; F654-F680 AromaticContact CZ-CZ 3.73Å; F654-F680 HydrophobicContact CZ-CZ 3.73Å
655	R	97.1	Very high	94.6	Very high	106 Å²	106	37.7 Å²	37.7	40%	0.4	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.3	165.6	-63.6	-170.7	-64.6	179.5	2.2	108.8	Y533 F534 Q657 D658	Y533-R655 HydrophobicContact CD1-CG 3.93Å; Y533-R655 HydrophobicContact CE1-CG 3.59Å; F534-R655 WeakPolarHBondContact CE1-O 3.41Å; R655-Q657 VanDerWaalsContact C-N 3.28Å; R655-Q657 HydrophobicContact CB-CG 3.89Å; R655-Q657 PolarHBondContact O-N 3.5Å; R655-D658 HydrophobicContact CB-CB 4.41Å; R655-D658 IonicContact CZ-OD2 3.65Å; R655-D658 IonicContact NE-OD2 3.36Å; R655-D658 PolarHBondContact NE-OD2 2.96Å; R655-D658 IonicContact NH2-OD1 3.31Å; R655-D658 PolarHBondContact NH2-OD1 3.49Å; R655-D658 IonicContact NH2-OD2 2.89Å; R655-D658 PolarHBondContact NH2-OD2 3.19Å; R655-D658 PolarHBondContact O-N 3.15Å
656	L	97	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.5	-40.1	-178.7	-175.9	61.7	0	0	0	112.1	I526 V529 W532 F534 D658 M659 M695 I781	I526-L656 HydrophobicContact CD1-CD2 3.8Å; I526-L656 HydrophobicContact CG2-CD2 4.23Å; V529-L656 HydrophobicContact CG1-CB 4.01Å; V529-L656 HydrophobicContact CG1-CD2 4.05Å; V529-L656 HydrophobicContact CG1-CG 3.91Å; W532-L656 HydrophobicContact CB-CB 3.88Å; W532-L656 HydrophobicContact CB-CD2 3.68Å; W532-L656 HydrophobicContact CB-CG 4.43Å; W532-L656 HydrophobicContact CG-CD2 4.33Å; W532-L656 VanDerWaalsContact O-CB 3.28Å; W532-L656 WeakPolarHBondContact O-CB 3.1Å; W532-L656 PolarHBondContact O-N 2.74Å; F534-L656 HydrophobicContact CD1-CB 4.47Å; F534-L656 HydrophobicContact CD1-CD1 4.03Å; L656-D658 PolarHBondContact O-N 3.14Å; L656-M659 HydrophobicContact CD1-CE 3.71Å; L656-M659 WeakPolarHBondContact O-CB 3.28Å; L656-M659 PolarHBondContact O-N 2.89Å; L656-M695 HydrophobicContact CD1-SD 4.09Å; L656-I781 HydrophobicContact CD1-CD1 4.38Å; L656-I781 HydrophobicContact CG-CD1 4.36Å; L656-I781 HydrophobicContact CG-CG1 4.49Å; L656-I781 WeakPolarHBondContact O-CD1 3.26Å
657	Q	94.9	Very high	94.8	Very high	53 Å²	53	39 Å²	39	25%	0.248	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24.8	174.4	59.7	-169.2	61.4	0	0	114.4	V529 A530 R655 L785	V529-Q657 HydrophobicContact CG1-CB 3.93Å; A530-Q657 VanDerWaalsContact CA-OE1 3.31Å; R655-Q657 VanDerWaalsContact C-N 3.28Å; R655-Q657 HydrophobicContact CB-CG 3.89Å; R655-Q657 PolarHBondContact O-N 3.5Å; Q657-L785 HydrophobicContact CB-CD1 4Å
658	D	94.4	Very high	94.8	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.294	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-99	23	-178.5	-56.9	-30.3	0	0	0	111.7	R655 L656 G660 S661	R655-D658 HydrophobicContact CB-CB 4.41Å; R655-D658 IonicContact CZ-OD2 3.65Å; R655-D658 IonicContact NE-OD2 3.36Å; R655-D658 PolarHBondContact NE-OD2 2.96Å; R655-D658 IonicContact NH2-OD1 3.31Å; R655-D658 PolarHBondContact NH2-OD1 3.49Å; R655-D658 IonicContact NH2-OD2 2.89Å; R655-D658 PolarHBondContact NH2-OD2 3.19Å; R655-D658 PolarHBondContact O-N 3.15Å; L656-D658 PolarHBondContact O-N 3.14Å; D658-G660 PolarHBondContact O-N 2.82Å; D658-S661 WeakPolarHBondContact O-CB 3.47Å; D658-S661 PolarHBondContact O-N 3.02Å; D658-S661 PolarHBondContact O-OG 3.36Å
659	M	94.9	Very high	94.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-53.2	-32.1	-176.2	177.7	173.9	-76.9	0	0	113.6	F534 L656 S661 F662 F663 I693 F777 I781	F534-M659 HydrophobicContact CE1-CB 4.13Å; F534-M659 HydrophobicContact CE1-CE 4.33Å; F534-M659 HydrophobicContact CE1-CG 4.49Å; F534-M659 HydrophobicContact CZ-CB 4.28Å; F534-M659 HydrophobicContact CZ-CG 4.29Å; L656-M659 HydrophobicContact CD1-CE 3.71Å; L656-M659 WeakPolarHBondContact O-CB 3.28Å; L656-M659 PolarHBondContact O-N 2.89Å; M659-S661 VanDerWaalsContact C-N 3.27Å; M659-S661 PolarHBondContact O-N 3.09Å; M659-F662 WeakPolarHBondContact O-CB 3.49Å; M659-F662 PolarHBondContact O-N 2.7Å; M659-F663 HydrophobicContact CG-CD2 3.82Å; M659-F663 HydrophobicContact CG-CE2 3.58Å; M659-F663 WeakPolarHBondContact O-CD2 3.22Å; M659-F663 PolarHBondContact O-N 3.47Å; M659-F663 HydrophobicContact SD-CE2 3.81Å; M659-I693 HydrophobicContact CE-CD1 3.44Å; M659-I693 VanDerWaalsContact CE-CD1 3.44Å; M659-F777 HydrophobicContact CE-CB 4.32Å; M659-F777 HydrophobicContact CE-CD1 3.81Å; M659-F777 HydrophobicContact CE-CE1 4.39Å; M659-F777 HydrophobicContact CE-CG 4.17Å; M659-F777 HydrophobicContact SD-CB 3.66Å; M659-F777 HydrophobicContact SD-CD1 4.28Å; M659-F777 HydrophobicContact SD-CG 4.13Å; M659-I781 HydrophobicContact CB-CD1 3.86Å; M659-I781 HydrophobicContact CE-CD1 4.49Å; M659-I781 HydrophobicContact SD-CD1 4.17Å
660	G	93	Very high	94.7	Very high	43 Å²	43	43.1 Å²	43.1	44%	0.443	24%	0.236	S	C	.	.	H	α-helix	trans	-57.4	-38.7	175	0	0	0	0	0	113.1	D658 F662 F663 A664	D658-G660 PolarHBondContact O-N 2.82Å; G660-F662 VanDerWaalsContact C-N 3.32Å; G660-F662 PolarHBondContact O-N 3.22Å; G660-F663 PolarHBondContact O-N 2.9Å; G660-A664 WeakPolarHBondContact O-CB 3.43Å; G660-A664 PolarHBondContact O-N 3.16Å
661	S	92.9	Very high	94.5	Very high	54 Å²	54	43.4 Å²	43.4	38%	0.378	24%	0.236	S	C	.	.	H	α-helix	trans	-65.3	-34.1	178.7	69.8	0	0	0	0	112.9	D658 M659 A664 N665	D658-S661 WeakPolarHBondContact O-CB 3.47Å; D658-S661 PolarHBondContact O-N 3.02Å; D658-S661 PolarHBondContact O-OG 3.36Å; M659-S661 VanDerWaalsContact C-N 3.27Å; M659-S661 PolarHBondContact O-N 3.09Å; S661-A664 PolarHBondContact O-N 2.87Å; S661-N665 PolarHBondContact O-N 3.34Å; S661-N665 PolarHBondContact O-ND2 3.43Å
662	F	94.6	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-50.3	175.3	164.3	-109.4	0	0	0	111.2	F534 P536 F654 M659 G660 A664 N665 M666 F680 I693 W754	F534-F662 HydrophobicContact CE2-CB 3.87Å; F534-F662 AromaticContact CE2-CD1 3.71Å; F534-F662 HydrophobicContact CE2-CD1 3.71Å; F534-F662 HydrophobicContact CE2-CD2 4.14Å; F534-F662 HydrophobicContact CE2-CE1 4.3Å; F534-F662 AromaticContact CE2-CG 3.61Å; F534-F662 HydrophobicContact CE2-CG 3.61Å; F534-F662 HydrophobicContact CZ-CB 3.62Å; F534-F662 HydrophobicContact CZ-CD1 4.08Å; F534-F662 AromaticContact CZ-CG 3.9Å; F534-F662 HydrophobicContact CZ-CG 3.9Å; P536-F662 HydrophobicContact CB-CE2 3.61Å; P536-F662 HydrophobicContact CB-CZ 3.71Å; P536-F662 HydrophobicContact CG-CE2 3.8Å; P536-F662 HydrophobicContact CG-CZ 4.41Å; F654-F662 HydrophobicContact CD1-CB 3.89Å; F654-F662 HydrophobicContact CD2-CB 4.34Å; F654-F662 AromaticContact CD2-CD2 3.94Å; F654-F662 HydrophobicContact CD2-CD2 3.94Å; F654-F662 HydrophobicContact CD2-CG 4.42Å; F654-F662 HydrophobicContact CE1-CB 4.03Å; F654-F662 HydrophobicContact CE1-CD2 4.32Å; F654-F662 HydrophobicContact CE2-CB 4.47Å; F654-F662 AromaticContact CE2-CD2 3.54Å; F654-F662 HydrophobicContact CE2-CD2 3.54Å; F654-F662 HydrophobicContact CE2-CE2 4.25Å; F654-F662 HydrophobicContact CE2-CG 4.38Å; F654-F662 HydrophobicContact CG-CB 4.05Å; F654-F662 HydrophobicContact CG-CD2 4.49Å; F654-F662 HydrophobicContact CZ-CB 4.33Å; F654-F662 AromaticContact CZ-CD2 3.77Å; F654-F662 HydrophobicContact CZ-CD2 3.77Å; M659-F662 WeakPolarHBondContact O-CB 3.49Å; M659-F662 PolarHBondContact O-N 2.7Å; G660-F662 VanDerWaalsContact C-N 3.32Å; G660-F662 PolarHBondContact O-N 3.22Å; F662-A664 VanDerWaalsContact C-N 3.32Å; F662-A664 PolarHBondContact O-N 2.86Å; F662-N665 PolarHBondContact O-N 2.97Å; F662-M666 HydrophobicContact CD1-SD 4.35Å; F662-M666 HydrophobicContact CE1-SD 3.61Å; F662-M666 HydrophobicContact CE2-CG 4.48Å; F662-M666 HydrophobicContact CE2-SD 4.02Å; F662-M666 HydrophobicContact CZ-CE 4.35Å; F662-M666 HydrophobicContact CZ-CG 4.42Å; F662-M666 HydrophobicContact CZ-SD 3.41Å; F662-M666 WeakPolarHBondContact CZ-SD 3.11Å; F662-F680 AromaticContact CD2-CD2 3.86Å; F662-F680 HydrophobicContact CD2-CD2 3.86Å; F662-F680 AromaticContact CD2-CE2 3.74Å; F662-F680 HydrophobicContact CD2-CE2 3.74Å; F662-F680 AromaticContact CE2-CD2 3.48Å; F662-F680 HydrophobicContact CE2-CD2 3.48Å; F662-F680 VanDerWaalsContact CE2-CD2 3.48Å; F662-F680 AromaticContact CE2-CE2 3.81Å; F662-F680 HydrophobicContact CE2-CE2 3.81Å; F662-F680 HydrophobicContact CE2-CG 4.36Å; F662-F680 HydrophobicContact CZ-CD2 4.48Å; F662-I693 HydrophobicContact CE1-CG2 4Å; F662-I693 HydrophobicContact CZ-CG2 4.27Å; F662-W754 HydrophobicContact CE1-CH2 4.21Å; F662-W754 HydrophobicContact CE1-CZ2 4.38Å; F662-W754 HydrophobicContact CZ-CH2 4.31Å
663	F	94.5	Very high	94	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-31.5	179	-73.8	-68.1	0	0	0	112.8	M659 G660 N665 M666 L678 W752 W754 V760 R774	M659-F663 HydrophobicContact CG-CD2 3.82Å; M659-F663 HydrophobicContact CG-CE2 3.58Å; M659-F663 WeakPolarHBondContact O-CD2 3.22Å; M659-F663 PolarHBondContact O-N 3.47Å; M659-F663 HydrophobicContact SD-CE2 3.81Å; G660-F663 PolarHBondContact O-N 2.9Å; F663-N665 PolarHBondContact O-N 3.27Å; F663-M666 HydrophobicContact CD1-SD 3.96Å; F663-M666 HydrophobicContact CE1-SD 4.36Å; F663-M666 PolarHBondContact O-N 2.84Å; F663-L678 HydrophobicContact CD1-CD2 4.3Å; F663-W752 HydrophobicContact CE2-CZ3 4.46Å; F663-W752 HydrophobicContact CZ-CH2 4.13Å; F663-W752 AromaticContact CZ-CZ3 3.95Å; F663-W752 HydrophobicContact CZ-CZ3 3.95Å; F663-W754 HydrophobicContact CE1-CH2 4.31Å; F663-W754 HydrophobicContact CE1-CZ2 4.15Å; F663-W754 HydrophobicContact CZ-CZ2 4.3Å; F663-V760 HydrophobicContact CE1-CB 3.97Å; F663-V760 HydrophobicContact CE1-CG1 4.05Å; F663-V760 HydrophobicContact CZ-CG1 4.5Å; F663-R774 VanDerWaalsContact CB-CZ 3.5Å; F663-R774 HydrophobicContact CD2-CG 4.1Å; F663-R774 HydrophobicContact CE2-CB 4.48Å; F663-R774 HydrophobicContact CE2-CG 3.77Å; F663-R774 HydrophobicContact CZ-CB 4.41Å; F663-R774 HydrophobicContact CZ-CG 4.13Å
664	A	92.5	Very high	93.8	Very high	79 Å²	79	57.3 Å²	57.3	65%	0.653	30%	0.301	S	S	*	.	H	α-helix	trans	-63.2	-26	174	0	0	0	0	0	113.1	G660 S661 F662 M666	G660-A664 WeakPolarHBondContact O-CB 3.43Å; G660-A664 PolarHBondContact O-N 3.16Å; S661-A664 PolarHBondContact O-N 2.87Å; F662-A664 VanDerWaalsContact C-N 3.32Å; F662-A664 PolarHBondContact O-N 2.86Å; A664-M666 VanDerWaalsContact C-N 3.3Å
665	N	90.6	Very high	93.5	Very high	98 Å²	98	57 Å²	57	52%	0.524	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.5	174.9	-71.1	-28	0	0	0	113.5	S661 F662 F663 F680	S661-N665 PolarHBondContact O-N 3.34Å; S661-N665 PolarHBondContact O-ND2 3.43Å; F662-N665 PolarHBondContact O-N 2.97Å; F663-N665 PolarHBondContact O-N 3.27Å; N665-F680 HydrophobicContact CB-CE2 4.12Å
666	M	94.5	Very high	93.2	Very high	17 Å²	17	57.9 Å²	57.9	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	151	176.8	-60.4	-177.6	77	0	0	111.3	F662 F663 A664 L678 G679 F680 P690 W754	F662-M666 HydrophobicContact CD1-SD 4.35Å; F662-M666 HydrophobicContact CE1-SD 3.61Å; F662-M666 HydrophobicContact CE2-CG 4.48Å; F662-M666 HydrophobicContact CE2-SD 4.02Å; F662-M666 HydrophobicContact CZ-CE 4.35Å; F662-M666 HydrophobicContact CZ-CG 4.42Å; F662-M666 HydrophobicContact CZ-SD 3.41Å; F662-M666 WeakPolarHBondContact CZ-SD 3.11Å; F663-M666 HydrophobicContact CD1-SD 3.96Å; F663-M666 HydrophobicContact CE1-SD 4.36Å; F663-M666 PolarHBondContact O-N 2.84Å; A664-M666 VanDerWaalsContact C-N 3.3Å; M666-L678 HydrophobicContact CB-CD1 4.18Å; M666-L678 HydrophobicContact CB-CD2 4.13Å; M666-L678 HydrophobicContact CB-CG 3.85Å; M666-L678 HydrophobicContact CE-CB 4.17Å; M666-L678 HydrophobicContact CE-CD2 3.74Å; M666-L678 HydrophobicContact CE-CG 3.73Å; M666-L678 HydrophobicContact SD-CD2 3.86Å; M666-L678 HydrophobicContact SD-CG 4.29Å; M666-G679 VanDerWaalsContact CA-O 3.24Å; M666-G679 WeakPolarHBondContact CA-O 3.4Å; M666-G679 WeakPolarHBondContact CB-O 3.5Å; M666-F680 HydrophobicContact CE-CB 4.47Å; M666-F680 HydrophobicContact CG-CB 4.33Å; M666-F680 HydrophobicContact CG-CD2 3.96Å; M666-P690 HydrophobicContact CE-CG 3.65Å; M666-W754 HydrophobicContact CE-CH2 4.15Å; M666-W754 HydrophobicContact CE-CZ3 4.24Å; M666-W754 HydrophobicContact SD-CH2 4.39Å
667	R	94	Very high	93	Very high	122 Å²	122	60.4 Å²	60.4	46%	0.46	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164.9	171.5	69.1	175.3	-176.8	92.6	-8.4	111.3	E593 Y669 L678 G679	E593-R667 IonicContact OE1-CZ 3.83Å; E593-R667 VanDerWaalsContact OE1-CZ 3.23Å; E593-R667 IonicContact OE1-NH1 3.43Å; E593-R667 PolarHBondContact OE1-NH1 3.24Å; E593-R667 IonicContact OE1-NH2 3.85Å; E593-R667 PolarHBondContact OE1-NH2 3.3Å; R667-Y669 HydrophobicContact CG-CD2 4Å; R667-Y669 HydrophobicContact CG-CE2 3.42Å; R667-Y669 VanDerWaalsContact CG-CE2 3.42Å; R667-Y669 PolarHBondContact NE-OH 3Å; R667-Y669 VanDerWaalsContact O-CD2 3.23Å; R667-Y669 WeakPolarHBondContact O-CD2 3.33Å; R667-L678 CarbonylContact O-C 3.55Å; R667-L678 WeakPolarHBondContact O-CA 3.41Å; R667-G679 PolarHBondContact N-O 3.35Å; R667-G679 PolarHBondContact O-N 2.91Å
668	H	94.1	Very high	92.9	Very high	77 Å²	77	59 Å²	59	36%	0.356	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131	171.5	-62	74	0	0	0	110.5	R677 E761	H668-R677 CarbonylContact C-O 3.49Å; H668-R677 VanDerWaalsContact CA-O 3.32Å; H668-R677 WeakPolarHBondContact CA-O 3.4Å; H668-E761 IonicContact CE1-OE1 2.79Å; H668-E761 IonicContact NE2-OE1 3.6Å; H668-E761 PolarHBondContact NE2-OE1 3.2Å
669	Y	94.7	Very high	92.9	Very high	18 Å²	18	56.4 Å²	56.4	7%	0.071	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.2	171.5	-69.7	-98.2	0	0	0	109.2	E593 R667 Q676 R677 F687	E593-Y669 HydrophobicContact CG-CD1 3.99Å; E593-Y669 WeakPolarHBondContact OE1-CD1 3Å; R667-Y669 HydrophobicContact CG-CD2 4Å; R667-Y669 HydrophobicContact CG-CE2 3.42Å; R667-Y669 VanDerWaalsContact CG-CE2 3.42Å; R667-Y669 PolarHBondContact NE-OH 3Å; R667-Y669 VanDerWaalsContact O-CD2 3.23Å; R667-Y669 WeakPolarHBondContact O-CD2 3.33Å; Y669-Q676 WeakPolarHBondContact O-CA 3.43Å; Y669-R677 PolarHBondContact N-O 3.42Å; Y669-R677 PolarHBondContact O-N 3.02Å; Y669-F687 AromaticContact CD1-CD1 3.58Å; Y669-F687 HydrophobicContact CD1-CD1 3.58Å; Y669-F687 AromaticContact CD1-CD2 3.96Å; Y669-F687 HydrophobicContact CD1-CD2 3.96Å; Y669-F687 AromaticContact CD1-CE1 3.34Å; Y669-F687 HydrophobicContact CD1-CE1 3.34Å; Y669-F687 AromaticContact CD1-CE2 3.76Å; Y669-F687 HydrophobicContact CD1-CE2 3.76Å; Y669-F687 AromaticContact CD1-CG 3.87Å; Y669-F687 HydrophobicContact CD1-CG 3.87Å; Y669-F687 AromaticContact CD1-CZ 3.42Å; Y669-F687 HydrophobicContact CD1-CZ 3.42Å; Y669-F687 VanDerWaalsContact CD1-CZ 3.42Å; Y669-F687 AromaticContact CD2-CD2 3.76Å; Y669-F687 HydrophobicContact CD2-CD2 3.76Å; Y669-F687 AromaticContact CD2-CE2 3.9Å; Y669-F687 HydrophobicContact CD2-CE2 3.9Å; Y669-F687 HydrophobicContact CD2-CG 4.17Å; Y669-F687 HydrophobicContact CD2-CZ 4.42Å; Y669-F687 HydrophobicContact CE1-CB 4.18Å; Y669-F687 AromaticContact CE1-CD1 3.39Å; Y669-F687 HydrophobicContact CE1-CD1 3.39Å; Y669-F687 HydrophobicContact CE1-CD2 4.15Å; Y669-F687 AromaticContact CE1-CE1 3.66Å; Y669-F687 HydrophobicContact CE1-CE1 3.66Å; Y669-F687 HydrophobicContact CE1-CE2 4.38Å; Y669-F687 AromaticContact CE1-CG 3.65Å; Y669-F687 HydrophobicContact CE1-CG 3.65Å; Y669-F687 HydrophobicContact CE1-CZ 4.15Å; Y669-F687 HydrophobicContact CE2-CB 4.15Å; Y669-F687 AromaticContact CE2-CD2 3.99Å; Y669-F687 HydrophobicContact CE2-CD2 3.99Å; Y669-F687 HydrophobicContact CE2-CG 4Å; Y669-F687 HydrophobicContact CG-CD1 4.23Å; Y669-F687 AromaticContact CG-CD2 3.75Å; Y669-F687 HydrophobicContact CG-CD2 3.75Å; Y669-F687 AromaticContact CG-CE1 3.98Å; Y669-F687 HydrophobicContact CG-CE1 3.98Å; Y669-F687 AromaticContact CG-CE2 3.47Å; Y669-F687 HydrophobicContact CG-CE2 3.47Å; Y669-F687 VanDerWaalsContact CG-CE2 3.47Å; Y669-F687 HydrophobicContact CG-CG 4.12Å; Y669-F687 AromaticContact CG-CZ 3.58Å; Y669-F687 HydrophobicContact CG-CZ 3.58Å; Y669-F687 AromaticContact CZ-CD1 3.95Å; Y669-F687 AromaticContact CZ-CG 3.73Å
670	V	94.8	Very high	92.9	Very high	39 Å²	39	57.1 Å²	57.1	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.8	173.5	-174.3	0	0	0	0	109.6	E593 G594 Q676	E593-V670 PolarHBondContact OE2-N 3.32Å; E593-V670 VanDerWaalsContact OE2-N 3.12Å; G594-V670 PolarHBondContact N-O 3.38Å; V670-Q676 HydrophobicContact CG2-CG 4.19Å
671	L	91.5	Very high	92.9	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.115	30%	0.3	C	S	.	.			trans	-84.4	173.9	175	-59.2	-171.4	0	0	0	111.8	I597 D673 N674 S675 R677 F687 V689	I597-L671 HydrophobicContact CD1-CD2 3.8Å; L671-D673 WeakPolarHBondContact CB-OD1 3.19Å; L671-D673 PolarHBondContact O-N 3.47Å; L671-N674 WeakPolarHBondContact O-CA 3Å; L671-N674 PolarHBondContact O-N 2.95Å; L671-S675 PolarHBondContact N-O 3.42Å; L671-R677 HydrophobicContact CD1-CB 4.29Å; L671-R677 HydrophobicContact CD1-CG 3.53Å; L671-R677 HydrophobicContact CG-CB 4.43Å; L671-R677 HydrophobicContact CG-CG 3.99Å; L671-F687 HydrophobicContact CD2-CE2 4.39Å; L671-F687 HydrophobicContact CD2-CZ 4.49Å; L671-V689 HydrophobicContact CD2-CG2 4.29Å
672	K	90.5	Very high	92.9	Very high	162 Å²	162	55.8 Å²	55.8	70%	0.704	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	-175.3	-165.5	174.1	-179.1	176.6	0	113.9	G594 I597 N674	G594-K672 WeakPolarHBondContact O-CA 3.35Å; I597-K672 HydrophobicContact CG2-CB 3.69Å; I597-K672 HydrophobicContact CG2-CG 4.3Å; K672-N674 PolarHBondContact O-N 3.09Å
673	D	90.5	Very high	92.2	Very high	108 Å²	108	63.9 Å²	63.9	58%	0.578	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	12.4	176.7	66.2	-11.7	0	0	0	113.1	L671 S675	L671-D673 WeakPolarHBondContact CB-OD1 3.19Å; L671-D673 PolarHBondContact O-N 3.47Å; D673-S675 VanDerWaalsContact CG-OG 3.28Å; D673-S675 PolarHBondContact O-N 3.01Å; D673-S675 WeakPolarHBondContact OD1-CB 3.26Å; D673-S675 PolarHBondContact OD1-N 3.36Å; D673-S675 PolarHBondContact OD1-OG 3.3Å; D673-S675 PolarHBondContact OD2-OG 3.35Å
674	N	91	Very high	91.7	Very high	114 Å²	114	64.9 Å²	64.9	61%	0.61	34%	0.337	S	S	*	.	S	Bend	trans	61.2	9.5	-170.9	-65.9	-30.7	0	0	0	114.8	L671 K672	L671-N674 WeakPolarHBondContact O-CA 3Å; L671-N674 PolarHBondContact O-N 2.95Å; K672-N674 PolarHBondContact O-N 3.09Å
675	S	91.2	Very high	91.4	Very high	18 Å²	18	67.8 Å²	67.8	13%	0.126	34%	0.342	C	S	.	.			trans	-73.7	138.6	174.6	75.2	0	0	0	0	110.8	L671 D673 R677	L671-S675 PolarHBondContact N-O 3.42Å; D673-S675 VanDerWaalsContact CG-OG 3.28Å; D673-S675 PolarHBondContact O-N 3.01Å; D673-S675 WeakPolarHBondContact OD1-CB 3.26Å; D673-S675 PolarHBondContact OD1-N 3.36Å; D673-S675 PolarHBondContact OD1-OG 3.3Å; D673-S675 PolarHBondContact OD2-OG 3.35Å; S675-R677 PolarHBondContact OG-NH2 3.22Å
676	Q	92	Very high	91.5	Very high	125 Å²	125	64.5 Å²	64.5	58%	0.584	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.2	173.5	-72.6	-177.9	-17.8	0	0	110.1	Y669 V670	Y669-Q676 WeakPolarHBondContact O-CA 3.43Å; V670-Q676 HydrophobicContact CG2-CG 4.19Å
677	R	91.7	Very high	91.5	Very high	53 Å²	53	63.9 Å²	63.9	20%	0.2	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.7	-178.5	-62.2	-61.4	-176.7	-110.1	0.3	111.6	R539 H668 Y669 L671 S675 G679 V689	R539-R677 VanDerWaalsContact NH2-CD 3.33Å; H668-R677 CarbonylContact C-O 3.49Å; H668-R677 VanDerWaalsContact CA-O 3.32Å; H668-R677 WeakPolarHBondContact CA-O 3.4Å; Y669-R677 PolarHBondContact N-O 3.42Å; Y669-R677 PolarHBondContact O-N 3.02Å; L671-R677 HydrophobicContact CD1-CB 4.29Å; L671-R677 HydrophobicContact CD1-CG 3.53Å; L671-R677 HydrophobicContact CG-CB 4.43Å; L671-R677 HydrophobicContact CG-CG 3.99Å; S675-R677 PolarHBondContact OG-NH2 3.22Å; R677-G679 PolarHBondContact O-N 2.93Å; R677-V689 HydrophobicContact CB-CG1 3.85Å; R677-V689 HydrophobicContact CB-CG2 4.25Å; R677-V689 HydrophobicContact CG-CG1 4.42Å
678	L	93	Very high	91.6	Very high	25 Å²	25	58.1 Å²	58.1	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	108.8	173.7	-158.1	74.3	0	0	0	109.6	F663 M666 R667 P690 V760	F663-L678 HydrophobicContact CD1-CD2 4.3Å; M666-L678 HydrophobicContact CB-CD1 4.18Å; M666-L678 HydrophobicContact CB-CD2 4.13Å; M666-L678 HydrophobicContact CB-CG 3.85Å; M666-L678 HydrophobicContact CE-CB 4.17Å; M666-L678 HydrophobicContact CE-CD2 3.74Å; M666-L678 HydrophobicContact CE-CG 3.73Å; M666-L678 HydrophobicContact SD-CD2 3.86Å; M666-L678 HydrophobicContact SD-CG 4.29Å; R667-L678 CarbonylContact O-C 3.55Å; R667-L678 WeakPolarHBondContact O-CA 3.41Å; L678-P690 WeakPolarHBondContact O-CD 3.46Å; L678-V760 HydrophobicContact CB-CG2 4.45Å; L678-V760 HydrophobicContact CD2-CB 4.03Å; L678-V760 HydrophobicContact CD2-CG2 3.8Å
679	G	94.6	Very high	91.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.8	-179	0	0	0	0	0	111.9	M666 R667 R677 F688	M666-G679 VanDerWaalsContact CA-O 3.24Å; M666-G679 WeakPolarHBondContact CA-O 3.4Å; M666-G679 WeakPolarHBondContact CB-O 3.5Å; R667-G679 PolarHBondContact N-O 3.35Å; R667-G679 PolarHBondContact O-N 2.91Å; R677-G679 PolarHBondContact O-N 2.93Å; G679-F688 WeakPolarHBondContact CA-O 3.22Å
680	F	94.9	Very high	91.6	Very high	16 Å²	16	54.1 Å²	54.1	7%	0.07	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.9	176	-176.1	-86.1	0	0	0	109.6	P652 F654 F662 N665 M666 L682 F687 F688 P690	P652-F680 HydrophobicContact CB-CE1 4.4Å; P652-F680 HydrophobicContact CB-CZ 4.23Å; P652-F680 HydrophobicContact CG-CD1 4.44Å; P652-F680 HydrophobicContact CG-CE1 3.64Å; P652-F680 HydrophobicContact CG-CZ 3.77Å; F654-F680 HydrophobicContact CE2-CE2 4.15Å; F654-F680 HydrophobicContact CE2-CZ 4.22Å; F654-F680 AromaticContact CZ-CE2 3.68Å; F654-F680 HydrophobicContact CZ-CE2 3.68Å; F654-F680 AromaticContact CZ-CZ 3.73Å; F654-F680 HydrophobicContact CZ-CZ 3.73Å; F662-F680 AromaticContact CD2-CD2 3.86Å; F662-F680 HydrophobicContact CD2-CD2 3.86Å; F662-F680 AromaticContact CD2-CE2 3.74Å; F662-F680 HydrophobicContact CD2-CE2 3.74Å; F662-F680 AromaticContact CE2-CD2 3.48Å; F662-F680 HydrophobicContact CE2-CD2 3.48Å; F662-F680 VanDerWaalsContact CE2-CD2 3.48Å; F662-F680 AromaticContact CE2-CE2 3.81Å; F662-F680 HydrophobicContact CE2-CE2 3.81Å; F662-F680 HydrophobicContact CE2-CG 4.36Å; F662-F680 HydrophobicContact CZ-CD2 4.48Å; N665-F680 HydrophobicContact CB-CE2 4.12Å; M666-F680 HydrophobicContact CE-CB 4.47Å; M666-F680 HydrophobicContact CG-CB 4.33Å; M666-F680 HydrophobicContact CG-CD2 3.96Å; F680-L682 HydrophobicContact CD1-CD2 4.24Å; F680-L682 HydrophobicContact CE1-CD2 4.4Å; F680-F687 CarbonylContact O-C 3.42Å; F680-F687 WeakPolarHBondContact O-CA 3.35Å; F680-F687 VanDerWaalsContact O-CB 3.25Å; F680-F687 WeakPolarHBondContact O-CB 3.43Å; F680-F688 HydrophobicContact CB-CD1 4.35Å; F680-F688 HydrophobicContact CB-CE1 3.94Å; F680-F688 HydrophobicContact CB-CZ 4.34Å; F680-F688 HydrophobicContact CD1-CD1 4.39Å; F680-F688 AromaticContact CD1-CE1 3.74Å; F680-F688 HydrophobicContact CD1-CE1 3.74Å; F680-F688 HydrophobicContact CG-CE1 4.14Å; F680-F688 PolarHBondContact N-O 3.06Å; F680-F688 PolarHBondContact O-N 3.08Å; F680-P690 HydrophobicContact CB-CG 4.1Å
681	A	93.7	Very high	91.6	Very high	46 Å²	46	52.9 Å²	52.9	38%	0.38	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148	-178.3	0	0	0	0	0	112.6
682	L	91.7	Very high	91.8	Very high	23 Å²	23	51.9 Å²	51.9	12%	0.12	27%	0.27	C	S	.	.			trans	-120.4	163.9	176.9	-56.3	172.9	0	0	0	109.6	E589 F680 D684 N685 K686 F688	E589-L682 HydrophobicContact CG-CD1 3.73Å; F680-L682 HydrophobicContact CD1-CD2 4.24Å; F680-L682 HydrophobicContact CE1-CD2 4.4Å; L682-D684 PolarHBondContact O-N 3.35Å; L682-N685 PolarHBondContact O-N 2.98Å; L682-K686 HydrophobicContact CB-CB 4.4Å; L682-K686 WeakPolarHBondContact CB-O 3.29Å; L682-K686 HydrophobicContact CD1-CB 4.24Å; L682-K686 PolarHBondContact N-O 3.37Å; L682-F688 HydrophobicContact CD1-CD1 4.43Å; L682-F688 HydrophobicContact CD2-CD1 4.12Å; L682-F688 HydrophobicContact CD2-CE1 4.35Å; L682-F688 HydrophobicContact CG-CD1 4.47Å
683	D	81	Confident	92.1	Very high	170 Å²	170	44.1 Å²	44.1	91%	0.909	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.6	-168.7	-53.7	-34.1	0	0	0	115.9
684	D	82.9	Confident	92.5	Very high	31 Å²	31	39.2 Å²	39.2	17%	0.166	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	36	-174.3	61.8	-16	0	0	0	113.6	R649 L682 K686	R649-D684 IonicContact CZ-OD1 3.15Å; R649-D684 IonicContact CZ-OD2 3.63Å; R649-D684 IonicContact NH1-OD1 3.93Å; R649-D684 IonicContact NH1-OD2 2.69Å; R649-D684 IonicContact NH2-OD1 2.72Å; R649-D684 PolarHBondContact NH2-OD1 2.91Å; R649-D684 IonicContact NH2-OD2 3.98Å; R649-D684 PolarHBondContact NH2-OD2 2.97Å; L682-D684 PolarHBondContact O-N 3.35Å; D684-K686 PolarHBondContact O-N 3.18Å; D684-K686 WeakPolarHBondContact OD1-CB 3.3Å; D684-K686 WeakPolarHBondContact OD1-CD 3.37Å; D684-K686 WeakPolarHBondContact OD1-CG 3.41Å; D684-K686 WeakPolarHBondContact OD2-CD 3.46Å; D684-K686 WeakPolarHBondContact OD2-CE 3.46Å; D684-K686 IonicContact OD2-NZ 3.14Å; D684-K686 PolarHBondContact OD2-NZ 2.81Å
685	N	86.9	Confident	92.8	Very high	140 Å²	140	33.8 Å²	33.8	75%	0.749	18%	0.181	S	C	*	.	S	Bend	trans	59.1	13.3	-175.7	-61.7	-55	0	0	0	114.1	Y591 L682	Y591-N685 HydrophobicContact CD2-CB 4.25Å; Y591-N685 HydrophobicContact CE2-CB 3.94Å; L682-N685 PolarHBondContact O-N 2.98Å
686	K	92.7	Very high	93.1	Very high	29 Å²	29	33 Å²	33	13%	0.126	18%	0.176	C	C	.	.			trans	-89.8	164.7	170.4	-62.1	177	-166.9	150.2	0	109.6	E589 F590 M600 L682 D684	E589-K686 HydrophobicContact CB-CB 4.49Å; E589-K686 HydrophobicContact CB-CD 4.34Å; E589-K686 WeakPolarHBondContact OE2-CD 3.22Å; F590-K686 CarbonylContact O-C 3.56Å; F590-K686 WeakPolarHBondContact O-CA 3.46Å; F590-K686 WeakPolarHBondContact O-CB 3.29Å; M600-K686 HydrophobicContact CE-CD 4.21Å; L682-K686 HydrophobicContact CB-CB 4.4Å; L682-K686 WeakPolarHBondContact CB-O 3.29Å; L682-K686 HydrophobicContact CD1-CB 4.24Å; L682-K686 PolarHBondContact N-O 3.37Å; D684-K686 PolarHBondContact O-N 3.18Å; D684-K686 WeakPolarHBondContact OD1-CB 3.3Å; D684-K686 WeakPolarHBondContact OD1-CD 3.37Å; D684-K686 WeakPolarHBondContact OD1-CG 3.41Å; D684-K686 WeakPolarHBondContact OD2-CD 3.46Å; D684-K686 WeakPolarHBondContact OD2-CE 3.46Å; D684-K686 IonicContact OD2-NZ 3.14Å; D684-K686 PolarHBondContact OD2-NZ 2.81Å
687	F	94.9	Very high	93.4	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.4	170.8	67.2	-82.2	0	0	0	109.3	E589 F590 I597 Y669 L671 F680 V689	E589-F687 CarbonylContact C-O 3.48Å; E589-F687 WeakPolarHBondContact CA-O 3.23Å; F590-F687 HydrophobicContact CB-CD1 3.94Å; F590-F687 HydrophobicContact CB-CD2 4.24Å; F590-F687 HydrophobicContact CB-CE1 3.47Å; F590-F687 VanDerWaalsContact CB-CE1 3.47Å; F590-F687 HydrophobicContact CB-CE2 3.8Å; F590-F687 HydrophobicContact CB-CG 4.31Å; F590-F687 HydrophobicContact CB-CZ 3.4Å; F590-F687 VanDerWaalsContact CB-CZ 3.4Å; F590-F687 HydrophobicContact CD2-CD2 4.42Å; F590-F687 HydrophobicContact CD2-CE2 4.09Å; F590-F687 HydrophobicContact CD2-CZ 4.49Å; F590-F687 HydrophobicContact CG-CE2 4.16Å; F590-F687 HydrophobicContact CG-CZ 4.09Å; F590-F687 PolarHBondContact N-O 2.92Å; F590-F687 WeakPolarHBondContact O-CD1 3.32Å; F590-F687 PolarHBondContact O-N 3.31Å; I597-F687 HydrophobicContact CD1-CZ 3.96Å; Y669-F687 AromaticContact CD1-CD1 3.58Å; Y669-F687 HydrophobicContact CD1-CD1 3.58Å; Y669-F687 AromaticContact CD1-CD2 3.96Å; Y669-F687 HydrophobicContact CD1-CD2 3.96Å; Y669-F687 AromaticContact CD1-CE1 3.34Å; Y669-F687 HydrophobicContact CD1-CE1 3.34Å; Y669-F687 AromaticContact CD1-CE2 3.76Å; Y669-F687 HydrophobicContact CD1-CE2 3.76Å; Y669-F687 AromaticContact CD1-CG 3.87Å; Y669-F687 HydrophobicContact CD1-CG 3.87Å; Y669-F687 AromaticContact CD1-CZ 3.42Å; Y669-F687 HydrophobicContact CD1-CZ 3.42Å; Y669-F687 VanDerWaalsContact CD1-CZ 3.42Å; Y669-F687 AromaticContact CD2-CD2 3.76Å; Y669-F687 HydrophobicContact CD2-CD2 3.76Å; Y669-F687 AromaticContact CD2-CE2 3.9Å; Y669-F687 HydrophobicContact CD2-CE2 3.9Å; Y669-F687 HydrophobicContact CD2-CG 4.17Å; Y669-F687 HydrophobicContact CD2-CZ 4.42Å; Y669-F687 HydrophobicContact CE1-CB 4.18Å; Y669-F687 AromaticContact CE1-CD1 3.39Å; Y669-F687 HydrophobicContact CE1-CD1 3.39Å; Y669-F687 HydrophobicContact CE1-CD2 4.15Å; Y669-F687 AromaticContact CE1-CE1 3.66Å; Y669-F687 HydrophobicContact CE1-CE1 3.66Å; Y669-F687 HydrophobicContact CE1-CE2 4.38Å; Y669-F687 AromaticContact CE1-CG 3.65Å; Y669-F687 HydrophobicContact CE1-CG 3.65Å; Y669-F687 HydrophobicContact CE1-CZ 4.15Å; Y669-F687 HydrophobicContact CE2-CB 4.15Å; Y669-F687 AromaticContact CE2-CD2 3.99Å; Y669-F687 HydrophobicContact CE2-CD2 3.99Å; Y669-F687 HydrophobicContact CE2-CG 4Å; Y669-F687 HydrophobicContact CG-CD1 4.23Å; Y669-F687 AromaticContact CG-CD2 3.75Å; Y669-F687 HydrophobicContact CG-CD2 3.75Å; Y669-F687 AromaticContact CG-CE1 3.98Å; Y669-F687 HydrophobicContact CG-CE1 3.98Å; Y669-F687 AromaticContact CG-CE2 3.47Å; Y669-F687 HydrophobicContact CG-CE2 3.47Å; Y669-F687 VanDerWaalsContact CG-CE2 3.47Å; Y669-F687 HydrophobicContact CG-CG 4.12Å; Y669-F687 AromaticContact CG-CZ 3.58Å; Y669-F687 HydrophobicContact CG-CZ 3.58Å; Y669-F687 AromaticContact CZ-CD1 3.95Å; Y669-F687 AromaticContact CZ-CG 3.73Å; L671-F687 HydrophobicContact CD2-CE2 4.39Å; L671-F687 HydrophobicContact CD2-CZ 4.49Å; F680-F687 CarbonylContact O-C 3.42Å; F680-F687 WeakPolarHBondContact O-CA 3.35Å; F680-F687 VanDerWaalsContact O-CB 3.25Å; F680-F687 WeakPolarHBondContact O-CB 3.43Å; F687-V689 HydrophobicContact CD2-CG2 4.41Å; F687-V689 HydrophobicContact CE2-CG2 4.1Å
688	F	95	Very high	93.5	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.2	164.5	79.3	-79.3	0	0	0	109.5	P536 Y588 G679 F680 L682 P690	P536-F688 HydrophobicContact CB-CE2 4.42Å; P536-F688 HydrophobicContact CB-CZ 3.78Å; P536-F688 HydrophobicContact CG-CE1 4.42Å; P536-F688 HydrophobicContact CG-CZ 3.76Å; Y588-F688 WeakPolarHBondContact O-CB 3.15Å; G679-F688 WeakPolarHBondContact CA-O 3.22Å; F680-F688 HydrophobicContact CB-CD1 4.35Å; F680-F688 HydrophobicContact CB-CE1 3.94Å; F680-F688 HydrophobicContact CB-CZ 4.34Å; F680-F688 HydrophobicContact CD1-CD1 4.39Å; F680-F688 AromaticContact CD1-CE1 3.74Å; F680-F688 HydrophobicContact CD1-CE1 3.74Å; F680-F688 HydrophobicContact CG-CE1 4.14Å; F680-F688 PolarHBondContact N-O 3.06Å; F680-F688 PolarHBondContact O-N 3.08Å; L682-F688 HydrophobicContact CD1-CD1 4.43Å; L682-F688 HydrophobicContact CD2-CD1 4.12Å; L682-F688 HydrophobicContact CD2-CE1 4.35Å; L682-F688 HydrophobicContact CG-CD1 4.47Å; F688-P690 HydrophobicContact CD2-CG 4.3Å; F688-P690 HydrophobicContact CE2-CB 3.91Å; F688-P690 HydrophobicContact CE2-CG 3.66Å; F688-P690 HydrophobicContact CZ-CB 4.48Å; F688-P690 HydrophobicContact CZ-CG 3.95Å; F688-P690 WeakPolarHBondContact O-CD 3.17Å
689	V	94.4	Very high	93.7	Very high	10 Å²	10	25 Å²	25	6%	0.061	14%	0.141	C	C	.	.			trans	-98.6	110.1	178.3	-176.1	0	0	0	0	108.5	R539 F590 L671 R677 F687	R539-V689 VanDerWaalsContact NE-CG1 3.34Å; F590-V689 HydrophobicContact CD2-CG2 4.41Å; F590-V689 HydrophobicContact CE2-CG2 4.18Å; L671-V689 HydrophobicContact CD2-CG2 4.29Å; R677-V689 HydrophobicContact CB-CG1 3.85Å; R677-V689 HydrophobicContact CB-CG2 4.25Å; R677-V689 HydrophobicContact CG-CG1 4.42Å; F687-V689 HydrophobicContact CD2-CG2 4.41Å; F687-V689 HydrophobicContact CE2-CG2 4.1Å
690	P	95.2	Very high	93.7	Very high	2 Å²	2	26 Å²	26	1%	0.013	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	151.8	177.6	-12.8	28.6	0	0	0	111.7	P536 V537 M666 L678 F680 F688 W754	P536-P690 HydrophobicContact CB-CB 4.2Å; P536-P690 HydrophobicContact CB-CG 4.16Å; V537-P690 CarbonylContact O-C 3.53Å; V537-P690 WeakPolarHBondContact O-CA 3.42Å; V537-P690 WeakPolarHBondContact O-CB 3.43Å; M666-P690 HydrophobicContact CE-CG 3.65Å; L678-P690 WeakPolarHBondContact O-CD 3.46Å; F680-P690 HydrophobicContact CB-CG 4.1Å; F688-P690 HydrophobicContact CD2-CG 4.3Å; F688-P690 HydrophobicContact CE2-CB 3.91Å; F688-P690 HydrophobicContact CE2-CG 3.66Å; F688-P690 HydrophobicContact CZ-CB 4.48Å; F688-P690 HydrophobicContact CZ-CG 3.95Å; F688-P690 WeakPolarHBondContact O-CD 3.17Å; P690-W754 HydrophobicContact CB-CE3 4.39Å; P690-W754 HydrophobicContact CB-CH2 3.97Å; P690-W754 HydrophobicContact CB-CZ3 3.61Å; P690-W754 HydrophobicContact CG-CH2 4.45Å; P690-W754 HydrophobicContact CG-CZ3 4.23Å
691	G	94.5	Very high	93.4	Very high	13 Å²	13	31.1 Å²	31.1	13%	0.134	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	8.5	171.7	0	0	0	0	0	112.8	V537 W754	V537-G691 PolarHBondContact O-N 2.92Å; G691-W754 WeakPolarHBondContact O-CB 3.31Å; G691-W754 PolarHBondContact O-N 3.47Å
692	G	95.7	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-178.6	-178.3	0	0	0	0	0	112.2	V537 W752	V537-G692 VanDerWaalsContact CG2-C 3.46Å; V537-G692 WeakPolarHBondContact CG2-O 3.45Å; V537-G692 PolarHBondContact N-O 2.57Å; V537-G692 PolarHBondContact O-N 3.3Å; G692-W752 CarbonylContact C-O 3.46Å; G692-W752 WeakPolarHBondContact CA-O 3.41Å
693	I	96.8	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.3	166.3	62.9	169.5	0	0	0	110.1	F534 V535 M659 F662 M695 W752 W754	F534-I693 HydrophobicContact CB-CD1 4.33Å; F534-I693 HydrophobicContact CD2-CB 3.94Å; F534-I693 HydrophobicContact CD2-CD1 3.98Å; F534-I693 HydrophobicContact CD2-CG2 3.84Å; F534-I693 HydrophobicContact CE2-CD1 4.47Å; F534-I693 HydrophobicContact CE2-CG2 4.14Å; F534-I693 HydrophobicContact CG-CD1 4.09Å; V535-I693 WeakPolarHBondContact O-CA 3.43Å; M659-I693 HydrophobicContact CE-CD1 3.44Å; M659-I693 VanDerWaalsContact CE-CD1 3.44Å; F662-I693 HydrophobicContact CE1-CG2 4Å; F662-I693 HydrophobicContact CZ-CG2 4.27Å; I693-M695 HydrophobicContact CD1-CG 4.37Å; I693-W752 HydrophobicContact CD1-CE3 3.61Å; I693-W752 HydrophobicContact CD1-CZ3 4.23Å; I693-W752 HydrophobicContact CG1-CB 3.93Å; I693-W752 HydrophobicContact CG1-CD2 4.39Å; I693-W752 HydrophobicContact CG1-CE3 3.65Å; I693-W752 PolarHBondContact N-O 3.04Å; I693-W752 PolarHBondContact O-N 3.27Å; I693-W754 HydrophobicContact CG2-CZ2 4.03Å
694	M	98	Very high	94.2	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	173.7	-173.3	159.4	46.3	0	0	109.3	F534 V535 V537 C547 F583 I606 F696 R749 L750 L751	F534-M694 CarbonylContact C-O 3.51Å; F534-M694 WeakPolarHBondContact CA-O 3.29Å; F534-M694 WeakPolarHBondContact CB-O 3.46Å; V535-M694 HydrophobicContact CG2-CB 4.24Å; V535-M694 PolarHBondContact N-O 3Å; V535-M694 PolarHBondContact O-N 3.11Å; V537-M694 HydrophobicContact CG1-CB 3.79Å; V537-M694 HydrophobicContact CG1-CE 3.77Å; C547-M694 HydrophobicContact CB-CE 4.47Å; F583-M694 HydrophobicContact CD1-CE 4.38Å; F583-M694 HydrophobicContact CE1-CE 3.32Å; F583-M694 HydrophobicContact CE1-SD 3.88Å; F583-M694 HydrophobicContact CZ-CE 3.77Å; F583-M694 HydrophobicContact CZ-SD 4.11Å; I606-M694 HydrophobicContact CD1-CE 3.58Å; I606-M694 HydrophobicContact CG2-CE 4.29Å; M694-F696 HydrophobicContact CB-CE2 4.16Å; M694-F696 HydrophobicContact CE-CE2 4.17Å; M694-F696 HydrophobicContact CE-CZ 3.8Å; M694-F696 HydrophobicContact CG-CE2 3.71Å; M694-F696 HydrophobicContact CG-CZ 3.73Å; M694-F696 HydrophobicContact SD-CE2 4.44Å; M694-F696 HydrophobicContact SD-CZ 3.93Å; M694-R749 HydrophobicContact CG-CB 4.37Å; M694-R749 HydrophobicContact CG-CG 4.5Å; M694-R749 HydrophobicContact SD-CG 4.13Å; M694-L750 CarbonylContact C-O 3.45Å; M694-L750 WeakPolarHBondContact CA-O 3.35Å; M694-L750 WeakPolarHBondContact CG-O 3.49Å; M694-L751 HydrophobicContact CB-CD1 4.48Å
695	M	98.2	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.8	-173.4	-61.8	169.1	-84.3	0	0	110.7	M516 I526 W532 Y533 F534 L656 I693 R749 L750 W752 F777	M516-M695 HydrophobicContact CG-CE 3.88Å; I526-M695 HydrophobicContact CD1-SD 4.15Å; W532-M695 HydrophobicContact CE3-CB 3.91Å; W532-M695 HydrophobicContact CZ3-CB 4.19Å; Y533-M695 CarbonylContact O-C 3.17Å; Y533-M695 VanDerWaalsContact O-CA 3.23Å; Y533-M695 WeakPolarHBondContact O-CA 3.46Å; F534-M695 HydrophobicContact CB-CB 4.44Å; F534-M695 HydrophobicContact CB-CG 3.81Å; L656-M695 HydrophobicContact CD1-SD 4.09Å; I693-M695 HydrophobicContact CD1-CG 4.37Å; M695-R749 WeakPolarHBondContact O-CA 3.44Å; M695-L750 HydrophobicContact CB-CB 4.23Å; M695-L750 HydrophobicContact CE-CB 3.94Å; M695-L750 PolarHBondContact N-O 3.01Å; M695-L750 PolarHBondContact O-N 3.22Å; M695-W752 HydrophobicContact CE-CB 4.16Å; M695-F777 HydrophobicContact CE-CE1 4.1Å; M695-F777 HydrophobicContact CE-CZ 3.98Å; M695-F777 HydrophobicContact SD-CE1 3.88Å; M695-F777 HydrophobicContact SD-CZ 4.37Å
696	F	98.1	Very high	94.9	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.1	-178.2	-62.2	-89.3	0	0	0	110	W532 Y533 V535 F583 I606 Y621 M694 R749	W532-F696 WeakPolarHBondContact CA-O 3.39Å; W532-F696 VanDerWaalsContact CE3-C 3.47Å; Y533-F696 PolarHBondContact N-O 3.33Å; Y533-F696 PolarHBondContact O-N 3.01Å; V535-F696 HydrophobicContact CG2-CE2 4.02Å; F583-F696 HydrophobicContact CD1-CZ 4.46Å; F583-F696 HydrophobicContact CE1-CZ 4.16Å; I606-F696 HydrophobicContact CG2-CE2 3.75Å; I606-F696 HydrophobicContact CG2-CZ 3.64Å; Y621-F696 HydrophobicContact CD1-CB 4.49Å; Y621-F696 HydrophobicContact CE1-CB 3.88Å; Y621-F696 HydrophobicContact CE2-CB 3.95Å; Y621-F696 HydrophobicContact CE2-CD1 4.3Å; Y621-F696 HydrophobicContact CE2-CD2 4.41Å; Y621-F696 AromaticContact CE2-CG 3.98Å; Y621-F696 HydrophobicContact CE2-CG 3.98Å; Y621-F696 AromaticContact CZ-CD2 3.92Å; Y621-F696 AromaticContact CZ-CG 3.77Å; Y621-F696 WeakPolarHBondContact OH-CD2 3.38Å; M694-F696 HydrophobicContact CB-CE2 4.16Å; M694-F696 HydrophobicContact CE-CE2 4.17Å; M694-F696 HydrophobicContact CE-CZ 3.8Å; M694-F696 HydrophobicContact CG-CE2 3.71Å; M694-F696 HydrophobicContact CG-CZ 3.73Å; M694-F696 HydrophobicContact SD-CE2 4.44Å; M694-F696 HydrophobicContact SD-CZ 3.93Å; F696-R749 HydrophobicContact CD1-CB 3.86Å; F696-R749 HydrophobicContact CE1-CB 3.67Å; F696-R749 HydrophobicContact CZ-CB 4.35Å
697	C	96.8	Very high	94.7	Very high	16 Å²	16	23.6 Å²	23.6	11%	0.108	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.7	170.2	-165.9	0	0	0	0	109.5	W532 L699	W532-C697 HydrophobicContact CD2-CB 4.02Å; W532-C697 HydrophobicContact CE3-CB 4.19Å; W532-C697 HydrophobicContact CH2-CB 3.95Å; W532-C697 HydrophobicContact CZ2-CB 3.75Å; W532-C697 HydrophobicContact CZ3-CB 4.15Å; C697-L699 VanDerWaalsContact C-N 3.31Å; C697-L699 PolarHBondContact SG-O 3.27Å
698	E	95.3	Very high	94.4	Very high	19 Å²	19	24 Å²	24	9%	0.089	14%	0.135	C	C	.	.	S	Bend	trans	-75	-22.9	174.3	177.1	168.1	-149.7	0	0	112.3	D531 Y533 R622 F739 A740	D531-E698 PolarHBondContact O-N 2.9Å; Y533-E698 HydrophobicContact CD2-CB 4.19Å; Y533-E698 HydrophobicContact CE2-CB 3.74Å; Y533-E698 HydrophobicContact CE2-CG 4.42Å; Y533-E698 WeakPolarHBondContact CE2-OE2 3.26Å; Y533-E698 PolarHBondContact OH-OE2 3.24Å; R622-E698 VanDerWaalsContact CD-OE1 3.25Å; R622-E698 WeakPolarHBondContact CD-OE1 3.48Å; R622-E698 WeakPolarHBondContact CG-OE1 3.27Å; E698-F739 HydrophobicContact CG-CD1 4.35Å; E698-A740 WeakPolarHBondContact O-CB 3.25Å; E698-A740 PolarHBondContact O-N 3.44Å
699	L	95.7	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-112.1	157.5	-173.7	-53.6	-176.3	0	0	0	112.6	D531 C697 Y716 I738 F739 F744	D531-L699 HydrophobicContact CB-CD1 4.29Å; D531-L699 HydrophobicContact CB-CG 4.43Å; D531-L699 WeakPolarHBondContact OD1-CD1 3.31Å; C697-L699 VanDerWaalsContact C-N 3.31Å; C697-L699 PolarHBondContact SG-O 3.27Å; L699-Y716 HydrophobicContact CD1-CD1 3.84Å; L699-Y716 HydrophobicContact CD1-CE1 4.32Å; L699-Y716 HydrophobicContact CD2-CD1 3.68Å; L699-Y716 HydrophobicContact CD2-CE1 3.7Å; L699-Y716 HydrophobicContact CG-CD1 4.43Å; L699-I738 WeakPolarHBondContact CA-O 3.47Å; L699-I738 HydrophobicContact CD2-CG2 4.05Å; L699-F739 HydrophobicContact CD2-CD1 3.88Å; L699-F739 HydrophobicContact CD2-CE1 4.11Å; L699-F744 WeakPolarHBondContact O-CE1 3.44Å
700	T	94.8	Very high	94	Very high	22 Å²	22	40.7 Å²	40.7	14%	0.135	22%	0.215	C	C	.	.			trans	-74.1	161.8	169.5	74.6	0	0	0	0	111.5	N702 Y703 E737 I738	T700-N702 PolarHBondContact O-N 2.93Å; T700-Y703 PolarHBondContact O-N 3.35Å; T700-Y703 WeakPolarHBondContact OG1-CD2 3.39Å; T700-E737 WeakPolarHBondContact CB-O 3.24Å; T700-E737 VanDerWaalsContact CG2-O 3.25Å; T700-E737 WeakPolarHBondContact CG2-O 3.43Å; T700-E737 PolarHBondContact OG1-O 3.07Å; T700-I738 PolarHBondContact N-O 3.2Å
701	N	90.1	Very high	93.6	Very high	123 Å²	123	47 Å²	47	66%	0.658	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.9	-171	-73.3	-19.3	0	0	0	115.8	F744	N701-F744 HydrophobicContact CB-CZ 4.3Å; N701-F744 WeakPolarHBondContact OD1-CZ 3.34Å
702	N	92.3	Very high	93.3	Very high	72 Å²	72	48.7 Å²	48.7	39%	0.385	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-9.6	-178.9	-65.2	-40.5	0	0	0	112.8	T700 N718 V719	T700-N702 PolarHBondContact O-N 2.93Å; N702-N718 CarbonylContact O-C 3.53Å; N702-N718 WeakPolarHBondContact O-CA 3.38Å; N702-V719 WeakPolarHBondContact O-CG2 3.34Å; N702-V719 PolarHBondContact O-N 2.64Å
703	Y	94.5	Very high	93	Very high	8 Å²	8	52.6 Å²	52.6	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.1	-175.7	-72	-89.1	0	0	0	111.7	T700 F717 N718 Y725 E737 I738	T700-Y703 PolarHBondContact O-N 3.35Å; T700-Y703 WeakPolarHBondContact OG1-CD2 3.39Å; Y703-F717 VanDerWaalsContact CA-O 3.3Å; Y703-F717 WeakPolarHBondContact CA-O 3.49Å; Y703-N718 HydrophobicContact CD1-CB 3.96Å; Y703-N718 HydrophobicContact CE1-CB 3.53Å; Y703-N718 PolarHBondContact OH-ND2 2.66Å; Y703-Y725 HydrophobicContact CE1-CD2 4.38Å; Y703-E737 WeakPolarHBondContact CD2-O 3.47Å; Y703-E737 HydrophobicContact CE2-CB 4.2Å; Y703-E737 VanDerWaalsContact CE2-O 3.27Å; Y703-E737 WeakPolarHBondContact CE2-O 3.38Å; Y703-I738 HydrophobicContact CD1-CG1 3.86Å; Y703-I738 HydrophobicContact CD1-CG2 4.45Å; Y703-I738 HydrophobicContact CD2-CB 4.46Å; Y703-I738 HydrophobicContact CD2-CG1 4.22Å; Y703-I738 HydrophobicContact CE1-CD1 4.26Å; Y703-I738 HydrophobicContact CE1-CG1 3.52Å; Y703-I738 HydrophobicContact CE2-CG1 3.91Å; Y703-I738 HydrophobicContact CG-CB 4.46Å; Y703-I738 HydrophobicContact CG-CG1 4.19Å; Y703-I738 HydrophobicContact CG-CG2 4.41Å
704	V	94.4	Very high	92.8	Very high	36 Å²	36	56.2 Å²	56.2	22%	0.218	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.4	168.3	-65.1	0	0	0	0	109.1	N528 D531 F717 V719	N528-V704 HydrophobicContact CB-CG1 4.4Å; D531-V704 WeakPolarHBondContact OD2-CA 3.38Å; V704-F717 HydrophobicContact CG2-CB 4.19Å; V704-F717 HydrophobicContact CG2-CD1 4.14Å; V704-F717 PolarHBondContact N-O 2.99Å; V704-F717 PolarHBondContact O-N 3.19Å; V704-V719 HydrophobicContact CG1-CG1 4.17Å; V704-V719 HydrophobicContact CG2-CG1 3.97Å
705	S	93.4	Very high	92.6	Very high	15 Å²	15	58.7 Å²	58.7	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.9	168.9	71.9	0	0	0	0	111.5	N528 D531 Y715	N528-S705 PolarHBondContact ND2-O 3.36Å; N528-S705 PolarHBondContact ND2-OG 2.85Å; D531-S705 WeakPolarHBondContact OD1-CB 3.16Å; D531-S705 PolarHBondContact OD1-N 3.33Å; D531-S705 PolarHBondContact OD1-OG 3.32Å; D531-S705 PolarHBondContact OD2-N 2.89Å; S705-Y715 WeakPolarHBondContact CA-O 3.25Å
706	A	91.1	Very high	92.4	Very high	28 Å²	28	59.2 Å²	59.2	23%	0.231	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.9	175.4	0	0	0	0	0	110.4	L714 Y715	A706-L714 WeakPolarHBondContact O-CA 3.42Å; A706-Y715 HydrophobicContact CB-CD1 4.17Å; A706-Y715 HydrophobicContact CB-CE1 3.48Å; A706-Y715 VanDerWaalsContact CB-CE1 3.48Å; A706-Y715 HydrophobicContact CB-CE2 4.1Å; A706-Y715 VanDerWaalsContact CB-CZ 3.44Å; A706-Y715 WeakPolarHBondContact CB-OH 3.19Å; A706-Y715 PolarHBondContact N-O 3.47Å; A706-Y715 WeakPolarHBondContact O-CD1 3.45Å; A706-Y715 WeakPolarHBondContact O-CE1 3.28Å; A706-Y715 PolarHBondContact O-N 2.97Å
707	H	89.4	Confident	92.2	Very high	122 Å²	122	61.5 Å²	61.5	57%	0.565	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.4	178.9	-166.6	-97	0	0	0	110.8	R709 G712	H707-R709 PolarHBondContact O-N 3.25Å; H707-G712 VanDerWaalsContact NE2-C 3.34Å; H707-G712 PolarHBondContact NE2-O 2.94Å
708	S	89.6	Confident	92.1	Very high	11 Å²	11	61.2 Å²	61.2	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.9	177.1	178.1	0	0	0	0	110.1	S710 R711 G712 Q713 Y726	S708-S710 VanDerWaalsContact C-N 3.34Å; S708-S710 PolarHBondContact O-N 3.31Å; S708-S710 PolarHBondContact OG-OG 3.08Å; S708-R711 PolarHBondContact OG-N 3.44Å; S708-G712 VanDerWaalsContact O-CA 3.3Å; S708-G712 WeakPolarHBondContact O-CA 3.31Å; S708-G712 PolarHBondContact O-N 3.44Å; S708-Q713 WeakPolarHBondContact CB-O 3.38Å; S708-Q713 PolarHBondContact N-O 3.1Å; S708-Y726 PolarHBondContact OG-OH 3.06Å
709	R	88.9	Confident	91.9	Very high	249 Å²	249	63.3 Å²	63.3	94%	0.94	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.5	176.3	-66.7	-176.1	-177.8	179.6	-0.1	112.9	H707	H707-R709 PolarHBondContact O-N 3.25Å
710	S	90.2	Very high	91.8	Very high	113 Å²	113	73.1 Å²	73.1	79%	0.79	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.4	-177	51.9	0	0	0	0	113.4	S708	S708-S710 VanDerWaalsContact C-N 3.34Å; S708-S710 PolarHBondContact O-N 3.31Å; S708-S710 PolarHBondContact OG-OG 3.08Å
711	R	87	Confident	91.7	Very high	134 Å²	134	75.5 Å²	75.5	51%	0.506	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-13.3	178.2	-67.7	-164.6	176.3	177.6	-1.6	114.5	S708 Q713 Y726	S708-R711 PolarHBondContact OG-N 3.44Å; R711-Q713 VanDerWaalsContact C-N 3.25Å; R711-Q713 HydrophobicContact CB-CB 4.28Å; R711-Q713 HydrophobicContact CB-CG 4.44Å; R711-Q713 WeakPolarHBondContact O-CG 3.26Å; R711-Q713 PolarHBondContact O-N 2.96Å; R711-Y726 HydrophobicContact CB-CE1 4.39Å
712	G	88.5	Confident	91.8	Very high	49 Å²	49	76.2 Å²	76.2	51%	0.505	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	32.5	-174	0	0	0	0	0	113.1	H707 S708	H707-G712 VanDerWaalsContact NE2-C 3.34Å; H707-G712 PolarHBondContact NE2-O 2.94Å; S708-G712 VanDerWaalsContact O-CA 3.3Å; S708-G712 WeakPolarHBondContact O-CA 3.31Å; S708-G712 PolarHBondContact O-N 3.44Å
713	Q	90.6	Very high	91.8	Very high	82 Å²	82	76.1 Å²	76.1	38%	0.383	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.2	-171.1	-74.7	177.4	-12.5	0	0	112.2	S708 R711 Y726	S708-Q713 WeakPolarHBondContact CB-O 3.38Å; S708-Q713 PolarHBondContact N-O 3.1Å; R711-Q713 VanDerWaalsContact C-N 3.25Å; R711-Q713 HydrophobicContact CB-CB 4.28Å; R711-Q713 HydrophobicContact CB-CG 4.44Å; R711-Q713 WeakPolarHBondContact O-CG 3.26Å; R711-Q713 PolarHBondContact O-N 2.96Å; Q713-Y726 HydrophobicContact CB-CD1 3.97Å; Q713-Y726 HydrophobicContact CB-CE1 4.1Å
714	L	91.4	Very high	91.7	Very high	75 Å²	75	78.5 Å²	78.5	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	135.4	169.7	-168.4	75.7	0	0	0	110.5	A706 Y716	A706-L714 WeakPolarHBondContact O-CA 3.42Å; L714-Y716 HydrophobicContact CD2-CE1 4.44Å
715	Y	93.8	Very high	91.7	Very high	57 Å²	57	78.6 Å²	78.6	22%	0.224	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.1	170.3	71.9	-79.6	0	0	0	110.7	S705 A706 F717 Y725 Y726	S705-Y715 WeakPolarHBondContact CA-O 3.25Å; A706-Y715 HydrophobicContact CB-CD1 4.17Å; A706-Y715 HydrophobicContact CB-CE1 3.48Å; A706-Y715 VanDerWaalsContact CB-CE1 3.48Å; A706-Y715 HydrophobicContact CB-CE2 4.1Å; A706-Y715 VanDerWaalsContact CB-CZ 3.44Å; A706-Y715 WeakPolarHBondContact CB-OH 3.19Å; A706-Y715 PolarHBondContact N-O 3.47Å; A706-Y715 WeakPolarHBondContact O-CD1 3.45Å; A706-Y715 WeakPolarHBondContact O-CE1 3.28Å; A706-Y715 PolarHBondContact O-N 2.97Å; Y715-F717 HydrophobicContact CD2-CB 4.28Å; Y715-F717 HydrophobicContact CE2-CB 3.87Å; Y715-Y725 CarbonylContact C-O 3.57Å; Y715-Y725 WeakPolarHBondContact CA-O 3.37Å; Y715-Y726 HydrophobicContact CD1-CE1 4.46Å; Y715-Y726 HydrophobicContact CG-CE1 4.44Å
716	Y	94.8	Very high	91.7	Very high	11 Å²	11	79.5 Å²	79.5	4%	0.043	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.4	178.1	-54.9	-82.5	0	0	0	108.9	L699 L714 S724 Y725 K727 I730 I738 F739	L699-Y716 HydrophobicContact CD1-CD1 3.84Å; L699-Y716 HydrophobicContact CD1-CE1 4.32Å; L699-Y716 HydrophobicContact CD2-CD1 3.68Å; L699-Y716 HydrophobicContact CD2-CE1 3.7Å; L699-Y716 HydrophobicContact CG-CD1 4.43Å; L714-Y716 HydrophobicContact CD2-CE1 4.44Å; Y716-S724 WeakPolarHBondContact O-CA 3.42Å; Y716-Y725 PolarHBondContact N-O 3.16Å; Y716-Y725 PolarHBondContact O-N 3.26Å; Y716-K727 HydrophobicContact CE2-CB 4.36Å; Y716-I730 HydrophobicContact CD2-CD1 3.7Å; Y716-I730 HydrophobicContact CE2-CD1 3.78Å; Y716-I738 HydrophobicContact CD1-CG2 4Å; Y716-I738 HydrophobicContact CD2-CG2 4.35Å; Y716-I738 HydrophobicContact CG-CG2 3.8Å; Y716-F739 AromaticContact CE1-CE1 3.87Å; Y716-F739 HydrophobicContact CE1-CE1 3.87Å; Y716-F739 HydrophobicContact CE1-CZ 4.31Å; Y716-F739 HydrophobicContact CE2-CE1 4.23Å; Y716-F739 AromaticContact CE2-CZ 3.84Å; Y716-F739 HydrophobicContact CE2-CZ 3.84Å; Y716-F739 AromaticContact CZ-CE1 3.63Å; Y716-F739 AromaticContact CZ-CZ 3.71Å
717	F	94.1	Very high	91.5	Very high	50 Å²	50	85.6 Å²	85.6	22%	0.219	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.2	-175	177.4	-114.1	0	0	0	111.3	Y703 V704 Y715 V719 K722 S724	Y703-F717 VanDerWaalsContact CA-O 3.3Å; Y703-F717 WeakPolarHBondContact CA-O 3.49Å; V704-F717 HydrophobicContact CG2-CB 4.19Å; V704-F717 HydrophobicContact CG2-CD1 4.14Å; V704-F717 PolarHBondContact N-O 2.99Å; V704-F717 PolarHBondContact O-N 3.19Å; Y715-F717 HydrophobicContact CD2-CB 4.28Å; Y715-F717 HydrophobicContact CE2-CB 3.87Å; F717-V719 HydrophobicContact CD1-CG1 4.16Å; F717-V719 HydrophobicContact CE1-CG1 4.38Å; F717-V719 PolarHBondContact O-N 2.77Å; F717-K722 HydrophobicContact CE1-CD 4.33Å; F717-K722 HydrophobicContact CE2-CB 4.13Å; F717-K722 HydrophobicContact CE2-CD 4.15Å; F717-K722 HydrophobicContact CZ-CB 4.31Å; F717-K722 HydrophobicContact CZ-CD 3.47Å; F717-K722 VanDerWaalsContact CZ-CD 3.47Å; F717-S724 WeakPolarHBondContact CD2-OG 3.45Å
718	N	94.6	Very high	91.4	Very high	9 Å²	9	85.4 Å²	85.4	5%	0.048	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.8	173.2	-171.8	-47.7	0	0	0	110.3	N702 Y703 R720 N721 K722 E723	N702-N718 CarbonylContact O-C 3.53Å; N702-N718 WeakPolarHBondContact O-CA 3.38Å; Y703-N718 HydrophobicContact CD1-CB 3.96Å; Y703-N718 HydrophobicContact CE1-CB 3.53Å; Y703-N718 PolarHBondContact OH-ND2 2.66Å; N718-R720 PolarHBondContact O-N 3.44Å; N718-R720 WeakPolarHBondContact OD1-CA 3.49Å; N718-R720 WeakPolarHBondContact OD1-CB 3.45Å; N718-R720 PolarHBondContact OD1-N 3.19Å; N718-N721 WeakPolarHBondContact CB-OD1 3.47Å; N718-N721 PolarHBondContact ND2-OD1 3.1Å; N718-N721 PolarHBondContact OD1-N 2.96Å; N718-N721 VanDerWaalsContact OD1-N 3.12Å; N718-N721 PolarHBondContact OD1-OD1 3.43Å; N718-K722 VanDerWaalsContact O-CA 3.24Å; N718-K722 WeakPolarHBondContact O-CA 3.43Å; N718-K722 PolarHBondContact O-N 3.36Å; N718-E723 HydrophobicContact CB-CB 4.4Å; N718-E723 PolarHBondContact N-O 3.34Å
719	V	91.3	Very high	91.4	Very high	63 Å²	63	89.6 Å²	89.6	38%	0.382	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.8	-175.2	-59.3	0	0	0	0	113.3	N702 V704 F717 K722	N702-V719 WeakPolarHBondContact O-CG2 3.34Å; N702-V719 PolarHBondContact O-N 2.64Å; V704-V719 HydrophobicContact CG1-CG1 4.17Å; V704-V719 HydrophobicContact CG2-CG1 3.97Å; F717-V719 HydrophobicContact CD1-CG1 4.16Å; F717-V719 HydrophobicContact CE1-CG1 4.38Å; F717-V719 PolarHBondContact O-N 2.77Å; V719-K722 PolarHBondContact O-NZ 2.63Å
720	R	92.2	Very high	91.5	Very high	206 Å²	206	79.2 Å²	79.2	78%	0.777	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-55.8	-175.8	-174.3	-179.6	179.3	-174.2	-0.2	112.7	N718	N718-R720 PolarHBondContact O-N 3.44Å; N718-R720 WeakPolarHBondContact OD1-CA 3.49Å; N718-R720 WeakPolarHBondContact OD1-CB 3.45Å; N718-R720 PolarHBondContact OD1-N 3.19Å
721	N	93.4	Very high	91.5	Very high	73 Å²	73	76.3 Å²	76.3	39%	0.39	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-2.9	-176.4	72.2	1.1	0	0	0	113.7	N718 E723	N718-N721 WeakPolarHBondContact CB-OD1 3.47Å; N718-N721 PolarHBondContact ND2-OD1 3.1Å; N718-N721 PolarHBondContact OD1-N 2.96Å; N718-N721 VanDerWaalsContact OD1-N 3.12Å; N718-N721 PolarHBondContact OD1-OD1 3.43Å; N721-E723 PolarHBondContact ND2-OE1 3.47Å; N721-E723 PolarHBondContact ND2-OE2 3.2Å; N721-E723 PolarHBondContact O-N 3.29Å; N721-E723 WeakPolarHBondContact OD1-CB 3.35Å; N721-E723 WeakPolarHBondContact OD1-CG 3.48Å; N721-E723 PolarHBondContact OD1-N 3.06Å
722	K	92	Very high	91.4	Very high	137 Å²	137	81.1 Å²	81.1	60%	0.596	39%	0.387	S	S	*	.			trans	66.8	15.2	178.5	-48.3	-64.5	178.6	-161.7	0	114.9	F717 N718 V719	F717-K722 HydrophobicContact CE1-CD 4.33Å; F717-K722 HydrophobicContact CE2-CB 4.13Å; F717-K722 HydrophobicContact CE2-CD 4.15Å; F717-K722 HydrophobicContact CZ-CB 4.31Å; F717-K722 HydrophobicContact CZ-CD 3.47Å; F717-K722 VanDerWaalsContact CZ-CD 3.47Å; N718-K722 VanDerWaalsContact O-CA 3.24Å; N718-K722 WeakPolarHBondContact O-CA 3.43Å; N718-K722 PolarHBondContact O-N 3.36Å; V719-K722 PolarHBondContact O-NZ 2.63Å
723	E	93	Very high	91.2	Very high	71 Å²	71	84.1 Å²	84.1	33%	0.332	39%	0.392	S	S	.	.			trans	-70.8	145.3	171.8	-69.6	176.8	-177.8	0	0	111.4	N718 N721 Y725 K734	N718-E723 HydrophobicContact CB-CB 4.4Å; N718-E723 PolarHBondContact N-O 3.34Å; N721-E723 PolarHBondContact ND2-OE1 3.47Å; N721-E723 PolarHBondContact ND2-OE2 3.2Å; N721-E723 PolarHBondContact O-N 3.29Å; N721-E723 WeakPolarHBondContact OD1-CB 3.35Å; N721-E723 WeakPolarHBondContact OD1-CG 3.48Å; N721-E723 PolarHBondContact OD1-N 3.06Å; E723-Y725 HydrophobicContact CB-CE2 3.8Å; E723-Y725 PolarHBondContact OE2-OH 3.31Å; E723-K734 IonicContact OE2-NZ 2.76Å
724	S	92.8	Very high	91.2	Very high	58 Å²	58	81.8 Å²	81.8	41%	0.406	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.8	178.1	-68.7	0	0	0	0	110.2	Y716 F717	Y716-S724 WeakPolarHBondContact O-CA 3.42Å; F717-S724 WeakPolarHBondContact CD2-OG 3.45Å
725	Y	93.9	Very high	91.2	Very high	37 Å²	37	79.6 Å²	79.6	15%	0.145	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.5	176.4	-58.9	-87	0	0	0	110.7	Y703 Y715 Y716 E723 P731 K734 I738	Y703-Y725 HydrophobicContact CE1-CD2 4.38Å; Y715-Y725 CarbonylContact C-O 3.57Å; Y715-Y725 WeakPolarHBondContact CA-O 3.37Å; Y716-Y725 PolarHBondContact N-O 3.16Å; Y716-Y725 PolarHBondContact O-N 3.26Å; E723-Y725 HydrophobicContact CB-CE2 3.8Å; E723-Y725 PolarHBondContact OE2-OH 3.31Å; Y725-P731 HydrophobicContact CE1-CG 4.28Å; Y725-K734 HydrophobicContact CE1-CG 4.32Å; Y725-K734 WeakPolarHBondContact OH-CE 3.47Å; Y725-I738 HydrophobicContact CD2-CD1 3.89Å; Y725-I738 HydrophobicContact CG-CD1 4.18Å
726	Y	92.6	Very high	90.9	Very high	35 Å²	35	81.5 Å²	81.5	14%	0.137	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	151.3	166	-65.7	-86.7	0	0	0	109.6	S708 R711 Q713 Y715 D728 Q729 I730	S708-Y726 PolarHBondContact OG-OH 3.06Å; R711-Y726 HydrophobicContact CB-CE1 4.39Å; Q713-Y726 HydrophobicContact CB-CD1 3.97Å; Q713-Y726 HydrophobicContact CB-CE1 4.1Å; Y715-Y726 HydrophobicContact CD1-CE1 4.46Å; Y715-Y726 HydrophobicContact CG-CE1 4.44Å; Y726-D728 VanDerWaalsContact CB-OD1 3.31Å; Y726-D728 WeakPolarHBondContact CB-OD1 3.44Å; Y726-D728 PolarHBondContact O-N 3.07Å; Y726-D728 VanDerWaalsContact O-N 3.14Å; Y726-Q729 WeakPolarHBondContact O-CA 3.44Å; Y726-Q729 PolarHBondContact O-N 3.42Å; Y726-I730 WeakPolarHBondContact O-CG1 3.4Å; Y726-I730 PolarHBondContact O-N 2.61Å
727	K	87	Confident	90.8	Very high	156 Å²	156	84.9 Å²	84.9	68%	0.678	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-53.8	-38.4	-172.9	-170.5	179.5	179.3	-179.5	0	113.5	Y716 Q729	Y716-K727 HydrophobicContact CE2-CB 4.36Å; K727-Q729 VanDerWaalsContact C-N 3.29Å
728	D	88	Confident	90.8	Very high	117 Å²	117	82.5 Å²	82.5	63%	0.626	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-76.6	-11.8	178.1	60.5	-52.2	0	0	0	114	Y726	Y726-D728 VanDerWaalsContact CB-OD1 3.31Å; Y726-D728 WeakPolarHBondContact CB-OD1 3.44Å; Y726-D728 PolarHBondContact O-N 3.07Å; Y726-D728 VanDerWaalsContact O-N 3.14Å
729	Q	90.4	Very high	90.9	Very high	100 Å²	100	83 Å²	83	47%	0.467	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-113.1	2.3	-173.2	-56.1	-173.6	-11.9	0	0	113.2	Y726 K727 P731	Y726-Q729 WeakPolarHBondContact O-CA 3.44Å; Y726-Q729 PolarHBondContact O-N 3.42Å; K727-Q729 VanDerWaalsContact C-N 3.29Å; Q729-P731 WeakPolarHBondContact O-CD 3.49Å
730	I	91.1	Very high	91.1	Very high	31 Å²	31	80 Å²	80	16%	0.159	38%	0.377	C	S	.	.			trans	-70.3	117.4	-179.3	-67.3	165.5	0	0	0	109.7	Y716 Y726 K734 A735 I738 F739	Y716-I730 HydrophobicContact CD2-CD1 3.7Å; Y716-I730 HydrophobicContact CE2-CD1 3.78Å; Y726-I730 WeakPolarHBondContact O-CG1 3.4Å; Y726-I730 PolarHBondContact O-N 2.61Å; I730-K734 HydrophobicContact CG2-CB 4.33Å; I730-A735 HydrophobicContact CG2-CB 3.98Å; I730-I738 HydrophobicContact CD1-CD1 4.07Å; I730-I738 HydrophobicContact CG1-CD1 3.92Å; I730-I738 HydrophobicContact CG2-CD1 3.89Å; I730-F739 HydrophobicContact CD1-CE2 3.81Å; I730-F739 HydrophobicContact CD1-CZ 3.92Å
731	P	88.9	Confident	91.3	Very high	51 Å²	51	71.6 Å²	71.6	33%	0.331	35%	0.349	S	S	.	.			trans	-62.2	145.5	169.7	-23.6	36.8	0	0	0	111.3	Y725 Q729 N733 K734 A735	Y725-P731 HydrophobicContact CE1-CG 4.28Å; Q729-P731 WeakPolarHBondContact O-CD 3.49Å; P731-N733 WeakPolarHBondContact CB-OD1 3.42Å; P731-N733 PolarHBondContact O-N 2.99Å; P731-K734 HydrophobicContact CB-CB 4.3Å; P731-K734 HydrophobicContact CB-CG 4.19Å; P731-K734 HydrophobicContact CG-CB 4.46Å; P731-K734 HydrophobicContact CG-CG 4.17Å; P731-K734 WeakPolarHBondContact O-CA 3.29Å; P731-K734 WeakPolarHBondContact O-CB 3.4Å; P731-K734 PolarHBondContact O-N 3.34Å; P731-A735 PolarHBondContact O-N 2.98Å; P731-A735 VanDerWaalsContact O-N 3.12Å
732	R	84.7	Confident	91.5	Very high	235 Å²	235	68.1 Å²	68.1	89%	0.887	33%	0.331	S	S	*	.	H	α-helix	trans	-54.6	-39.1	-179.2	-71.8	-175.8	-179.3	175.6	0.6	113.3	K734 A735	R732-K734 VanDerWaalsContact C-N 3.27Å; R732-K734 PolarHBondContact O-N 3.29Å; R732-A735 PolarHBondContact O-N 2.82Å
733	N	85.7	Confident	91.7	Very high	112 Å²	112	64.5 Å²	64.5	60%	0.599	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-21.6	177	61.5	-42.1	0	0	0	113.6	P731	P731-N733 WeakPolarHBondContact CB-OD1 3.42Å; P731-N733 PolarHBondContact O-N 2.99Å
734	K	89.9	Confident	91.9	Very high	34 Å²	34	63.4 Å²	63.4	15%	0.148	31%	0.307	C	S	.	.	H	α-helix	trans	-89	-22.5	176.6	-70.9	-66.3	-178.9	-171.4	0	113.2	E723 Y725 I730 P731 R732 D736 E737 I738	E723-K734 IonicContact OE2-NZ 2.76Å; Y725-K734 HydrophobicContact CE1-CG 4.32Å; Y725-K734 WeakPolarHBondContact OH-CE 3.47Å; I730-K734 HydrophobicContact CG2-CB 4.33Å; P731-K734 HydrophobicContact CB-CB 4.3Å; P731-K734 HydrophobicContact CB-CG 4.19Å; P731-K734 HydrophobicContact CG-CB 4.46Å; P731-K734 HydrophobicContact CG-CG 4.17Å; P731-K734 WeakPolarHBondContact O-CA 3.29Å; P731-K734 WeakPolarHBondContact O-CB 3.4Å; P731-K734 PolarHBondContact O-N 3.34Å; R732-K734 VanDerWaalsContact C-N 3.27Å; R732-K734 PolarHBondContact O-N 3.29Å; K734-D736 VanDerWaalsContact C-N 3.27Å; K734-D736 PolarHBondContact O-N 3.19Å; K734-E737 WeakPolarHBondContact CD-OE2 2.99Å; K734-E737 VanDerWaalsContact NZ-CD 3.25Å; K734-E737 IonicContact NZ-OE1 3.27Å; K734-E737 PolarHBondContact NZ-OE1 3.44Å; K734-E737 IonicContact NZ-OE2 2.9Å; K734-E737 PolarHBondContact NZ-OE2 3.4Å; K734-E737 WeakPolarHBondContact O-CB 3.34Å; K734-E737 PolarHBondContact O-N 2.88Å; K734-I738 HydrophobicContact CB-CD1 4.34Å; K734-I738 WeakPolarHBondContact O-CG1 3.36Å; K734-I738 PolarHBondContact O-N 3.46Å
735	A	90.6	Very high	92.1	Very high	29 Å²	29	60.7 Å²	60.7	24%	0.24	29%	0.288	C	S	.	.	H	α-helix	trans	-55.8	-42.7	177.4	0	0	0	0	0	112.1	I730 P731 R732 E737 I738 F739	I730-A735 HydrophobicContact CG2-CB 3.98Å; P731-A735 PolarHBondContact O-N 2.98Å; P731-A735 VanDerWaalsContact O-N 3.12Å; R732-A735 PolarHBondContact O-N 2.82Å; A735-E737 VanDerWaalsContact C-N 3.27Å; A735-E737 PolarHBondContact O-N 3.33Å; A735-I738 PolarHBondContact O-N 2.96Å; A735-F739 HydrophobicContact CB-CD2 4.34Å; A735-F739 WeakPolarHBondContact O-CD2 3.19Å; A735-F739 PolarHBondContact O-N 2.94Å
736	D	88.6	Confident	92.2	Very high	97 Å²	97	59.2 Å²	59.2	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-23.1	177.5	-71.4	-25.5	0	0	0	113.5	K734	K734-D736 VanDerWaalsContact C-N 3.27Å; K734-D736 PolarHBondContact O-N 3.19Å
737	E	91.8	Very high	92.4	Very high	81 Å²	81	59.4 Å²	59.4	38%	0.379	29%	0.289	S	S	.	.	H	α-helix	trans	-81.7	-32.3	173.5	-64.9	-179.8	-151.1	0	0	111.8	T700 Y703 K734 A735	T700-E737 WeakPolarHBondContact CB-O 3.24Å; T700-E737 VanDerWaalsContact CG2-O 3.25Å; T700-E737 WeakPolarHBondContact CG2-O 3.43Å; T700-E737 PolarHBondContact OG1-O 3.07Å; Y703-E737 WeakPolarHBondContact CD2-O 3.47Å; Y703-E737 HydrophobicContact CE2-CB 4.2Å; Y703-E737 VanDerWaalsContact CE2-O 3.27Å; Y703-E737 WeakPolarHBondContact CE2-O 3.38Å; K734-E737 WeakPolarHBondContact CD-OE2 2.99Å; K734-E737 VanDerWaalsContact NZ-CD 3.25Å; K734-E737 IonicContact NZ-OE1 3.27Å; K734-E737 PolarHBondContact NZ-OE1 3.44Å; K734-E737 IonicContact NZ-OE2 2.9Å; K734-E737 PolarHBondContact NZ-OE2 3.4Å; K734-E737 WeakPolarHBondContact O-CB 3.34Å; K734-E737 PolarHBondContact O-N 2.88Å; A735-E737 VanDerWaalsContact C-N 3.27Å; A735-E737 PolarHBondContact O-N 3.33Å
738	I	94.9	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-84.1	-54.5	-175.1	-66.1	166.3	0	0	0	111	L699 T700 Y703 Y716 Y725 I730 K734 A735	L699-I738 WeakPolarHBondContact CA-O 3.47Å; L699-I738 HydrophobicContact CD2-CG2 4.05Å; T700-I738 PolarHBondContact N-O 3.2Å; Y703-I738 HydrophobicContact CD1-CG1 3.86Å; Y703-I738 HydrophobicContact CD1-CG2 4.45Å; Y703-I738 HydrophobicContact CD2-CB 4.46Å; Y703-I738 HydrophobicContact CD2-CG1 4.22Å; Y703-I738 HydrophobicContact CE1-CD1 4.26Å; Y703-I738 HydrophobicContact CE1-CG1 3.52Å; Y703-I738 HydrophobicContact CE2-CG1 3.91Å; Y703-I738 HydrophobicContact CG-CB 4.46Å; Y703-I738 HydrophobicContact CG-CG1 4.19Å; Y703-I738 HydrophobicContact CG-CG2 4.41Å; Y716-I738 HydrophobicContact CD1-CG2 4Å; Y716-I738 HydrophobicContact CD2-CG2 4.35Å; Y716-I738 HydrophobicContact CG-CG2 3.8Å; Y725-I738 HydrophobicContact CD2-CD1 3.89Å; Y725-I738 HydrophobicContact CG-CD1 4.18Å; I730-I738 HydrophobicContact CD1-CD1 4.07Å; I730-I738 HydrophobicContact CG1-CD1 3.92Å; I730-I738 HydrophobicContact CG2-CD1 3.89Å; K734-I738 HydrophobicContact CB-CD1 4.34Å; K734-I738 WeakPolarHBondContact O-CG1 3.36Å; K734-I738 PolarHBondContact O-N 3.46Å; A735-I738 PolarHBondContact O-N 2.96Å
739	F	95.6	Very high	93.3	Very high	21 Å²	21	49 Å²	49	9%	0.092	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-89.7	133.8	-171.4	-62.8	-67.8	0	0	0	111.5	P620 E698 L699 Y716 I730 A735 S741	P620-F739 HydrophobicContact CB-CB 4.29Å; P620-F739 HydrophobicContact CB-CD1 4.1Å; P620-F739 HydrophobicContact CB-CG 4.07Å; P620-F739 HydrophobicContact CG-CB 4.27Å; P620-F739 HydrophobicContact CG-CD1 4.35Å; P620-F739 HydrophobicContact CG-CD2 3.97Å; P620-F739 HydrophobicContact CG-CE2 4.4Å; P620-F739 HydrophobicContact CG-CG 3.94Å; E698-F739 HydrophobicContact CG-CD1 4.35Å; L699-F739 HydrophobicContact CD2-CD1 3.88Å; L699-F739 HydrophobicContact CD2-CE1 4.11Å; Y716-F739 AromaticContact CE1-CE1 3.87Å; Y716-F739 HydrophobicContact CE1-CE1 3.87Å; Y716-F739 HydrophobicContact CE1-CZ 4.31Å; Y716-F739 HydrophobicContact CE2-CE1 4.23Å; Y716-F739 AromaticContact CE2-CZ 3.84Å; Y716-F739 HydrophobicContact CE2-CZ 3.84Å; Y716-F739 AromaticContact CZ-CE1 3.63Å; Y716-F739 AromaticContact CZ-CZ 3.71Å; I730-F739 HydrophobicContact CD1-CE2 3.81Å; I730-F739 HydrophobicContact CD1-CZ 3.92Å; A735-F739 HydrophobicContact CB-CD2 4.34Å; A735-F739 WeakPolarHBondContact O-CD2 3.19Å; A735-F739 PolarHBondContact O-N 2.94Å; F739-S741 PolarHBondContact O-N 3.15Å
740	A	96	Very high	93.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-65.7	121.3	177.7	0	0	0	0	0	110.8	R624 E698 F744 S745	R624-A740 PolarHBondContact NH1-O 3.15Å; E698-A740 WeakPolarHBondContact O-CB 3.25Å; E698-A740 PolarHBondContact O-N 3.44Å; A740-F744 HydrophobicContact CB-CB 4.36Å; A740-F744 HydrophobicContact CB-CD1 3.55Å; A740-F744 HydrophobicContact CB-CE1 4.29Å; A740-F744 HydrophobicContact CB-CG 4.3Å; A740-S745 VanDerWaalsContact CB-OG 3.32Å; A740-S745 WeakPolarHBondContact CB-OG 3.34Å
741	S	96.7	Very high	93.9	Very high	29 Å²	29	44.4 Å²	44.4	20%	0.203	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.3	166.9	165.9	68.3	0	0	0	0	111.6	R617 F739 R743 F744 S745	R617-S741 WeakPolarHBondContact O-CA 3.43Å; R617-S741 WeakPolarHBondContact O-CB 3.39Å; F739-S741 PolarHBondContact O-N 3.15Å; S741-R743 VanDerWaalsContact C-N 3.31Å; S741-R743 PolarHBondContact O-N 3.21Å; S741-F744 PolarHBondContact O-N 3.48Å; S741-F744 VanDerWaalsContact O-N 3.13Å; S741-F744 PolarHBondContact OG-N 2.84Å; S741-S745 PolarHBondContact O-N 3.05Å; S741-S745 PolarHBondContact O-OG 2.75Å
742	F	98	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-51.7	-49.5	174.2	175.8	-81.3	0	0	0	111.7	W502 W508 L549 F583 D607 G608 I609 R617 R624 F744 S745 F746	W502-F742 HydrophobicContact CH2-CB 3.94Å; W502-F742 HydrophobicContact CZ3-CB 4Å; W502-F742 AromaticContact CZ3-CD1 3.99Å; W502-F742 HydrophobicContact CZ3-CD1 3.99Å; W502-F742 HydrophobicContact CZ3-CG 4.43Å; W508-F742 HydrophobicContact CH2-CD1 4.41Å; W508-F742 HydrophobicContact CH2-CE1 4.12Å; W508-F742 HydrophobicContact CZ3-CD1 4.3Å; W508-F742 AromaticContact CZ3-CE1 3.83Å; W508-F742 HydrophobicContact CZ3-CE1 3.83Å; L549-F742 HydrophobicContact CD2-CE1 4.15Å; L549-F742 HydrophobicContact CD2-CZ 3.73Å; F583-F742 HydrophobicContact CB-CE2 3.87Å; F583-F742 HydrophobicContact CB-CZ 3.79Å; D607-F742 HydrophobicContact CB-CD2 3.94Å; D607-F742 HydrophobicContact CB-CE2 3.8Å; D607-F742 VanDerWaalsContact CG-CD2 3.43Å; D607-F742 WeakPolarHBondContact OD2-CD2 3.45Å; G608-F742 VanDerWaalsContact O-CD2 3.24Å; G608-F742 WeakPolarHBondContact O-CD2 3.01Å; I609-F742 HydrophobicContact CD1-CD1 3.73Å; I609-F742 HydrophobicContact CD1-CE1 3.49Å; I609-F742 VanDerWaalsContact CD1-CE1 3.49Å; I609-F742 HydrophobicContact CD1-CG 4.45Å; I609-F742 HydrophobicContact CD1-CZ 4.01Å; I609-F742 HydrophobicContact CG1-CB 4.33Å; I609-F742 HydrophobicContact CG1-CD1 3.34Å; I609-F742 HydrophobicContact CG1-CD2 3.88Å; I609-F742 HydrophobicContact CG1-CE1 3.46Å; I609-F742 VanDerWaalsContact CG1-CE1 3.46Å; I609-F742 HydrophobicContact CG1-CE2 3.96Å; I609-F742 HydrophobicContact CG1-CG 3.57Å; I609-F742 HydrophobicContact CG1-CZ 3.75Å; R617-F742 PolarHBondContact O-N 3.1Å; R624-F742 VanDerWaalsContact CZ-N 3.31Å; F742-F744 VanDerWaalsContact C-N 3.28Å; F742-F744 PolarHBondContact O-N 3.09Å; F742-S745 PolarHBondContact O-N 3.31Å; F742-F746 HydrophobicContact CD1-CB 4.36Å; F742-F746 HydrophobicContact CE1-CB 4.11Å; F742-F746 HydrophobicContact CE1-CD2 4.22Å; F742-F746 HydrophobicContact CE1-CG 4.26Å; F742-F746 HydrophobicContact CZ-CD2 4.14Å; F742-F746 WeakPolarHBondContact O-CB 3.31Å; F742-F746 PolarHBondContact O-N 3.12Å
743	R	96.4	Very high	94.7	Very high	60 Å²	60	34.4 Å²	34.4	23%	0.226	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-38.4	-178.4	-178.3	176.1	176.9	-179.3	0	111.5	W502 E505 W508 S741 S747	W502-R743 HydrophobicContact CD2-CB 4.1Å; W502-R743 HydrophobicContact CE3-CB 3.93Å; W502-R743 HydrophobicContact CH2-CB 3.54Å; W502-R743 VanDerWaalsContact CH2-N 3.3Å; W502-R743 HydrophobicContact CZ2-CB 3.7Å; W502-R743 HydrophobicContact CZ3-CB 3.66Å; E505-R743 IonicContact OE2-CZ 3.75Å; E505-R743 IonicContact OE2-NH1 3.9Å; E505-R743 IonicContact OE2-NH2 2.72Å; E505-R743 PolarHBondContact OE2-NH2 2.89Å; W508-R743 VanDerWaalsContact CD1-NE 3.34Å; W508-R743 HydrophobicContact CD2-CG 3.97Å; W508-R743 HydrophobicContact CE3-CG 4.18Å; W508-R743 HydrophobicContact CG-CG 4.16Å; S741-R743 VanDerWaalsContact C-N 3.31Å; S741-R743 PolarHBondContact O-N 3.21Å; R743-S747 VanDerWaalsContact O-CB 3.28Å; R743-S747 WeakPolarHBondContact O-CB 3.45Å; R743-S747 PolarHBondContact O-N 2.91Å; R743-S747 PolarHBondContact O-OG 3.06Å
744	F	95.9	Very high	95	Very high	49 Å²	49	30.8 Å²	30.8	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-54	177	-172.9	-84.1	0	0	0	111.3	L699 N701 A740 S741 F742 F746 S747 C748	L699-F744 WeakPolarHBondContact O-CE1 3.44Å; N701-F744 HydrophobicContact CB-CZ 4.3Å; N701-F744 WeakPolarHBondContact OD1-CZ 3.34Å; A740-F744 HydrophobicContact CB-CB 4.36Å; A740-F744 HydrophobicContact CB-CD1 3.55Å; A740-F744 HydrophobicContact CB-CE1 4.29Å; A740-F744 HydrophobicContact CB-CG 4.3Å; S741-F744 PolarHBondContact O-N 3.48Å; S741-F744 VanDerWaalsContact O-N 3.13Å; S741-F744 PolarHBondContact OG-N 2.84Å; F742-F744 VanDerWaalsContact C-N 3.28Å; F742-F744 PolarHBondContact O-N 3.09Å; F744-F746 VanDerWaalsContact C-N 3.25Å; F744-F746 PolarHBondContact O-N 3.28Å; F744-S747 PolarHBondContact O-N 3.33Å; F744-S747 VanDerWaalsContact O-N 3.11Å; F744-C748 HydrophobicContact CE1-CB 4.36Å; F744-C748 WeakPolarHBondContact O-CB 3.35Å; F744-C748 PolarHBondContact O-N 2.74Å
745	S	96.9	Very high	95	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-42.8	177.2	-59.6	0	0	0	0	111.2	R624 A740 S741 F742 R749	R624-S745 PolarHBondContact NH2-OG 3.28Å; R624-S745 VanDerWaalsContact NH2-OG 3.08Å; A740-S745 VanDerWaalsContact CB-OG 3.32Å; A740-S745 WeakPolarHBondContact CB-OG 3.34Å; S741-S745 PolarHBondContact O-N 3.05Å; S741-S745 PolarHBondContact O-OG 2.75Å; F742-S745 PolarHBondContact O-N 3.31Å; S745-R749 WeakPolarHBondContact O-CB 3.32Å; S745-R749 PolarHBondContact O-N 3.32Å
746	F	97.4	Very high	94.9	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.022	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-49.7	175.6	-174.9	-92.1	0	0	0	111.4	W508 L511 L549 F583 F742 F744 C748 R749	W508-F746 HydrophobicContact CE3-CD1 4Å; W508-F746 HydrophobicContact CE3-CE1 4.3Å; W508-F746 HydrophobicContact CZ3-CD1 4.28Å; W508-F746 VanDerWaalsContact O-CE1 3.28Å; W508-F746 WeakPolarHBondContact O-CE1 3.01Å; L511-F746 HydrophobicContact CB-CE1 4.39Å; L549-F746 HydrophobicContact CD2-CE2 4.38Å; L549-F746 HydrophobicContact CG-CE2 4.44Å; F583-F746 HydrophobicContact CD1-CD2 4.29Å; F583-F746 HydrophobicContact CD1-CE2 4.4Å; F583-F746 HydrophobicContact CD2-CD2 4.25Å; F583-F746 AromaticContact CD2-CE2 3.63Å; F583-F746 HydrophobicContact CD2-CE2 3.63Å; F583-F746 HydrophobicContact CE1-CD2 4.43Å; F583-F746 HydrophobicContact CE1-CE2 4.37Å; F583-F746 HydrophobicContact CE2-CD2 4.46Å; F583-F746 AromaticContact CE2-CE2 3.67Å; F583-F746 HydrophobicContact CE2-CE2 3.67Å; F583-F746 HydrophobicContact CG-CD2 4.19Å; F583-F746 HydrophobicContact CG-CE2 4.04Å; F583-F746 HydrophobicContact CZ-CE2 4.05Å; F742-F746 HydrophobicContact CD1-CB 4.36Å; F742-F746 HydrophobicContact CE1-CB 4.11Å; F742-F746 HydrophobicContact CE1-CD2 4.22Å; F742-F746 HydrophobicContact CE1-CG 4.26Å; F742-F746 HydrophobicContact CZ-CD2 4.14Å; F742-F746 WeakPolarHBondContact O-CB 3.31Å; F742-F746 PolarHBondContact O-N 3.12Å; F744-F746 VanDerWaalsContact C-N 3.25Å; F744-F746 PolarHBondContact O-N 3.28Å; F746-C748 VanDerWaalsContact C-N 3.31Å; F746-C748 PolarHBondContact O-N 2.79Å; F746-R749 VanDerWaalsContact O-CD 3.24Å; F746-R749 WeakPolarHBondContact O-CD 3.46Å; F746-R749 WeakPolarHBondContact O-CG 3.47Å; F746-R749 PolarHBondContact O-N 3.35Å; F746-R749 PolarHBondContact O-NH1 3.02Å
747	S	95.9	Very high	94.7	Very high	39 Å²	39	34.3 Å²	34.3	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-68.6	-29.6	-176.2	-55.6	0	0	0	0	113.3	R743 F744	R743-S747 VanDerWaalsContact O-CB 3.28Å; R743-S747 WeakPolarHBondContact O-CB 3.45Å; R743-S747 PolarHBondContact O-N 2.91Å; R743-S747 PolarHBondContact O-OG 3.06Å; F744-S747 PolarHBondContact O-N 3.33Å; F744-S747 VanDerWaalsContact O-N 3.11Å
748	C	95.7	Very high	94.5	Very high	38 Å²	38	35.8 Å²	35.8	26%	0.257	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.9	-177.5	-62.8	0	0	0	0	113.7	F744 F746 L750	F744-C748 HydrophobicContact CE1-CB 4.36Å; F744-C748 WeakPolarHBondContact O-CB 3.35Å; F744-C748 PolarHBondContact O-N 2.74Å; F746-C748 VanDerWaalsContact C-N 3.31Å; F746-C748 PolarHBondContact O-N 2.79Å; C748-L750 WeakPolarHBondContact O-CD2 3.37Å
749	R	97.3	Very high	94.4	Very high	18 Å²	18	36 Å²	36	7%	0.068	18%	0.18	C	C	.	.			trans	-63	141.4	-178.3	74.4	-163.1	-173.3	-79.7	4.6	111.4	L511 A513 T514 M694 M695 F696 S745 F746	L511-R749 VanDerWaalsContact O-CZ 3.32Å; L511-R749 PolarHBondContact O-NH1 2.97Å; L511-R749 PolarHBondContact O-NH2 2.74Å; A513-R749 HydrophobicContact CB-CG 3.71Å; T514-R749 PolarHBondContact N-O 2.61Å; M694-R749 HydrophobicContact CG-CB 4.37Å; M694-R749 HydrophobicContact CG-CG 4.5Å; M694-R749 HydrophobicContact SD-CG 4.13Å; M695-R749 WeakPolarHBondContact O-CA 3.44Å; F696-R749 HydrophobicContact CD1-CB 3.86Å; F696-R749 HydrophobicContact CE1-CB 3.67Å; F696-R749 HydrophobicContact CZ-CB 4.35Å; S745-R749 WeakPolarHBondContact O-CB 3.32Å; S745-R749 PolarHBondContact O-N 3.32Å; F746-R749 VanDerWaalsContact O-CD 3.24Å; F746-R749 WeakPolarHBondContact O-CD 3.46Å; F746-R749 WeakPolarHBondContact O-CG 3.47Å; F746-R749 PolarHBondContact O-N 3.35Å; F746-R749 PolarHBondContact O-NH1 3.02Å
750	L	98	Very high	94.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.7	178.9	-45.4	177.5	0	0	0	109.5	T514 M516 T525 I526 W532 M694 M695 C748	T514-L750 HydrophobicContact CG2-CD2 4.45Å; T514-L750 CarbonylContact O-C 3.52Å; T514-L750 VanDerWaalsContact O-CA 3.26Å; T514-L750 WeakPolarHBondContact O-CA 3.46Å; M516-L750 HydrophobicContact CE-CB 4.27Å; M516-L750 HydrophobicContact CE-CD1 4.39Å; M516-L750 HydrophobicContact CE-CD2 3.8Å; M516-L750 HydrophobicContact CE-CG 4.36Å; M516-L750 HydrophobicContact CG-CB 4.02Å; M516-L750 HydrophobicContact CG-CD1 4.42Å; M516-L750 HydrophobicContact SD-CB 4.44Å; M516-L750 HydrophobicContact SD-CD1 4.03Å; T525-L750 HydrophobicContact CG2-CD1 3.69Å; T525-L750 HydrophobicContact CG2-CD2 3.77Å; T525-L750 HydrophobicContact CG2-CG 4.34Å; I526-L750 HydrophobicContact CD1-CD1 4Å; I526-L750 HydrophobicContact CG1-CD1 3.88Å; W532-L750 HydrophobicContact CE3-CD1 4.28Å; W532-L750 HydrophobicContact CH2-CD1 3.43Å; W532-L750 VanDerWaalsContact CH2-CD1 3.43Å; W532-L750 HydrophobicContact CH2-CD2 4.34Å; W532-L750 HydrophobicContact CH2-CG 3.68Å; W532-L750 HydrophobicContact CZ2-CD1 4.23Å; W532-L750 HydrophobicContact CZ3-CD1 3.48Å; W532-L750 VanDerWaalsContact CZ3-CD1 3.48Å; W532-L750 HydrophobicContact CZ3-CG 3.6Å; M694-L750 CarbonylContact C-O 3.45Å; M694-L750 WeakPolarHBondContact CA-O 3.35Å; M694-L750 WeakPolarHBondContact CG-O 3.49Å; M695-L750 HydrophobicContact CB-CB 4.23Å; M695-L750 HydrophobicContact CE-CB 3.94Å; M695-L750 PolarHBondContact N-O 3.01Å; M695-L750 PolarHBondContact O-N 3.22Å; C748-L750 WeakPolarHBondContact O-CD2 3.37Å
751	L	97.2	Very high	93.9	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.157	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124	178.8	177.4	65	0	0	0	109.6	A513 T514 E515 M516 V537 M694 K753	A513-L751 HydrophobicContact CB-CB 3.78Å; T514-L751 PolarHBondContact O-N 2.6Å; E515-L751 CarbonylContact C-O 3.6Å; E515-L751 WeakPolarHBondContact CA-O 3.22Å; M516-L751 PolarHBondContact N-O 3.29Å; V537-L751 HydrophobicContact CG2-CD1 3.98Å; M694-L751 HydrophobicContact CB-CD1 4.48Å; L751-K753 HydrophobicContact CD2-CB 4.3Å; L751-K753 HydrophobicContact CG-CB 4.24Å
752	W	96	Very high	93.3	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	99.4	162.2	177.2	36.7	0	0	0	107.9	F663 G692 I693 M695 W754 Q759 L772 R774 F777	F663-W752 HydrophobicContact CE2-CZ3 4.46Å; F663-W752 HydrophobicContact CZ-CH2 4.13Å; F663-W752 AromaticContact CZ-CZ3 3.95Å; F663-W752 HydrophobicContact CZ-CZ3 3.95Å; G692-W752 CarbonylContact C-O 3.46Å; G692-W752 WeakPolarHBondContact CA-O 3.41Å; I693-W752 HydrophobicContact CD1-CE3 3.61Å; I693-W752 HydrophobicContact CD1-CZ3 4.23Å; I693-W752 HydrophobicContact CG1-CB 3.93Å; I693-W752 HydrophobicContact CG1-CD2 4.39Å; I693-W752 HydrophobicContact CG1-CE3 3.65Å; I693-W752 PolarHBondContact N-O 3.04Å; I693-W752 PolarHBondContact O-N 3.27Å; M695-W752 HydrophobicContact CE-CB 4.16Å; W752-W754 AromaticContact CD2-NE1 3.59Å; W752-W754 AromaticContact CE2-CD1 3.83Å; W752-W754 AromaticContact CE2-NE1 3.68Å; W752-W754 AromaticContact CE3-NE1 3.65Å; W752-W754 AromaticContact CH2-NE1 3.82Å; W752-W754 AromaticContact CZ2-NE1 3.8Å; W752-W754 AromaticContact CZ3-NE1 3.76Å; W752-Q759 HydrophobicContact CZ2-CB 4.28Å; W752-Q759 WeakPolarHBondContact CZ2-O 3.34Å; W752-L772 WeakPolarHBondContact CZ2-O 3.26Å; W752-L772 PolarHBondContact NE1-O 3.29Å; W752-R774 HydrophobicContact CH2-CB 4.18Å; W752-F777 HydrophobicContact CB-CE2 4.1Å; W752-F777 HydrophobicContact CB-CZ 3.95Å; W752-F777 AromaticContact CD1-CE2 3.91Å; W752-F777 AromaticContact CD2-CD2 3.82Å; W752-F777 HydrophobicContact CD2-CD2 3.82Å; W752-F777 AromaticContact CD2-CE2 3.23Å; W752-F777 HydrophobicContact CD2-CE2 3.23Å; W752-F777 AromaticContact CD2-CZ 3.9Å; W752-F777 HydrophobicContact CD2-CZ 3.9Å; W752-F777 AromaticContact CE2-CD2 3.93Å; W752-F777 AromaticContact CE2-CE2 3.61Å; W752-F777 AromaticContact CE3-CD2 3.7Å; W752-F777 HydrophobicContact CE3-CD2 3.7Å; W752-F777 AromaticContact CE3-CE2 3.44Å; W752-F777 HydrophobicContact CE3-CE2 3.44Å; W752-F777 VanDerWaalsContact CE3-CE2 3.44Å; W752-F777 HydrophobicContact CE3-CG 4.39Å; W752-F777 AromaticContact CE3-CZ 3.95Å; W752-F777 HydrophobicContact CE3-CZ 3.95Å; W752-F777 AromaticContact CG-CE2 3.51Å; W752-F777 HydrophobicContact CG-CE2 3.51Å; W752-F777 AromaticContact CG-CZ 3.88Å; W752-F777 HydrophobicContact CG-CZ 3.88Å; W752-F777 AromaticContact CH2-CD2 3.98Å; W752-F777 HydrophobicContact CH2-CD2 3.98Å; W752-F777 HydrophobicContact CH2-CE2 4.4Å; W752-F777 HydrophobicContact CZ2-CD2 4.04Å; W752-F777 HydrophobicContact CZ2-CE2 4.19Å; W752-F777 AromaticContact CZ3-CD2 3.79Å; W752-F777 HydrophobicContact CZ3-CD2 3.79Å; W752-F777 HydrophobicContact CZ3-CE2 4.04Å; W752-F777 HydrophobicContact CZ3-CG 4.34Å; W752-F777 AromaticContact NE1-CE2 3.95Å
753	K	94.3	Very high	92.6	Very high	76 Å²	76	51 Å²	51	33%	0.33	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.6	-179.7	-171.7	167.6	179.6	163.3	0	110	E540 L751 T755 Q759	E540-K753 IonicContact OE2-NZ 3.71Å; E540-K753 PolarHBondContact OE2-NZ 3.18Å; L751-K753 HydrophobicContact CD2-CB 4.3Å; L751-K753 HydrophobicContact CG-CB 4.24Å; K753-T755 HydrophobicContact CG-CG2 4.41Å; K753-Q759 PolarHBondContact O-NE2 2.87Å
754	W	92.7	Very high	91.9	Very high	36 Å²	36	49 Å²	49	14%	0.136	25%	0.248	C	C	.	.			trans	-97.5	100.8	178.3	-55.2	-22	0	0	0	109.7	F662 F663 M666 P690 G691 I693 W752 V760	F662-W754 HydrophobicContact CE1-CH2 4.21Å; F662-W754 HydrophobicContact CE1-CZ2 4.38Å; F662-W754 HydrophobicContact CZ-CH2 4.31Å; F663-W754 HydrophobicContact CE1-CH2 4.31Å; F663-W754 HydrophobicContact CE1-CZ2 4.15Å; F663-W754 HydrophobicContact CZ-CZ2 4.3Å; M666-W754 HydrophobicContact CE-CH2 4.15Å; M666-W754 HydrophobicContact CE-CZ3 4.24Å; M666-W754 HydrophobicContact SD-CH2 4.39Å; P690-W754 HydrophobicContact CB-CE3 4.39Å; P690-W754 HydrophobicContact CB-CH2 3.97Å; P690-W754 HydrophobicContact CB-CZ3 3.61Å; P690-W754 HydrophobicContact CG-CH2 4.45Å; P690-W754 HydrophobicContact CG-CZ3 4.23Å; G691-W754 WeakPolarHBondContact O-CB 3.31Å; G691-W754 PolarHBondContact O-N 3.47Å; I693-W754 HydrophobicContact CG2-CZ2 4.03Å; W752-W754 AromaticContact CD2-NE1 3.59Å; W752-W754 AromaticContact CE2-CD1 3.83Å; W752-W754 AromaticContact CE2-NE1 3.68Å; W752-W754 AromaticContact CE3-NE1 3.65Å; W752-W754 AromaticContact CH2-NE1 3.82Å; W752-W754 AromaticContact CZ2-NE1 3.8Å; W752-W754 AromaticContact CZ3-NE1 3.76Å; W754-V760 HydrophobicContact CD2-CG1 3.3Å; W754-V760 HydrophobicContact CE3-CG1 3.59Å; W754-V760 HydrophobicContact CG-CG1 3.88Å; W754-V760 HydrophobicContact CH2-CG1 3.66Å; W754-V760 HydrophobicContact CZ2-CG1 3.39Å; W754-V760 HydrophobicContact CZ3-CG1 3.74Å
755	T	89.3	Confident	90.7	Very high	103 Å²	103	51.5 Å²	51.5	63%	0.632	27%	0.267	S	S	*	.			trans	-95.3	-21.9	176.7	52.2	0	0	0	0	113	K753 Q759	K753-T755 HydrophobicContact CG-CG2 4.41Å; T755-Q759 PolarHBondContact OG1-OE1 3.4Å; T755-Q759 VanDerWaalsContact OG1-OE1 3.13Å
756	D	87.4	Confident	89.3	Confident	46 Å²	46	57.4 Å²	57.4	25%	0.246	30%	0.295	C	S	.	.	S	Bend	trans	-124.3	136.1	174.4	-175.4	-25.9	0	0	0	108.9	R758 Q759	D756-R758 PolarHBondContact O-N 2.86Å; D756-R758 WeakPolarHBondContact OD1-CB 3.46Å; D756-R758 WeakPolarHBondContact OD1-CG 3.35Å; D756-R758 PolarHBondContact OD1-N 2.91Å; D756-R758 IonicContact OD1-NE 3.8Å; D756-R758 PolarHBondContact OD1-NE 3.48Å; D756-R758 IonicContact OD2-CZ 3.92Å; D756-R758 IonicContact OD2-NE 3.69Å; D756-R758 PolarHBondContact OD2-NE 2.82Å; D756-R758 IonicContact OD2-NH2 3.98Å; D756-R758 PolarHBondContact OD2-NH2 3.47Å; D756-Q759 HydrophobicContact CB-CG 4.21Å; D756-Q759 WeakPolarHBondContact O-CB 3.36Å; D756-Q759 WeakPolarHBondContact O-CG 3.48Å; D756-Q759 PolarHBondContact O-N 2.94Å; D756-Q759 VanDerWaalsContact O-N 3.12Å
757	L	85.1	Confident	87.9	Confident	85 Å²	85	62.8 Å²	62.8	45%	0.445	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-60.9	-28.3	178.5	-65	173.9	0	0	0	112.2	Q759 V760	L757-Q759 PolarHBondContact O-N 3.24Å; L757-V760 WeakPolarHBondContact O-CG2 3.5Å
758	R	88.4	Confident	86.9	Confident	112 Å²	112	63.9 Å²	63.9	42%	0.423	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.5	177.8	-62.2	-179.3	-63	157.1	6.2	112.8	D756 V760 E761 A764 D767 F773	D756-R758 PolarHBondContact O-N 2.86Å; D756-R758 WeakPolarHBondContact OD1-CB 3.46Å; D756-R758 WeakPolarHBondContact OD1-CG 3.35Å; D756-R758 PolarHBondContact OD1-N 2.91Å; D756-R758 IonicContact OD1-NE 3.8Å; D756-R758 PolarHBondContact OD1-NE 3.48Å; D756-R758 IonicContact OD2-CZ 3.92Å; D756-R758 IonicContact OD2-NE 3.69Å; D756-R758 PolarHBondContact OD2-NE 2.82Å; D756-R758 IonicContact OD2-NH2 3.98Å; D756-R758 PolarHBondContact OD2-NH2 3.47Å; R758-V760 PolarHBondContact O-N 3.12Å; R758-V760 VanDerWaalsContact O-N 3.08Å; R758-E761 PolarHBondContact O-N 3.26Å; R758-A764 HydrophobicContact CB-CB 4.21Å; R758-A764 WeakPolarHBondContact O-CB 3.28Å; R758-D767 IonicContact CZ-OD2 2.66Å; R758-D767 IonicContact NH1-OD2 2.69Å; R758-D767 PolarHBondContact NH1-OD2 3.46Å; R758-D767 IonicContact NH2-OD2 3.63Å; R758-F773 HydrophobicContact CB-CE1 4.11Å
759	Q	91.7	Very high	86	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.019	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-58.9	-25.5	-177.6	-71.4	-177.4	-101.4	0	0	113.9	W752 K753 T755 D756 L757 I771 L772 F773 R774	W752-Q759 HydrophobicContact CZ2-CB 4.28Å; W752-Q759 WeakPolarHBondContact CZ2-O 3.34Å; K753-Q759 PolarHBondContact O-NE2 2.87Å; T755-Q759 PolarHBondContact OG1-OE1 3.4Å; T755-Q759 VanDerWaalsContact OG1-OE1 3.13Å; D756-Q759 HydrophobicContact CB-CG 4.21Å; D756-Q759 WeakPolarHBondContact O-CB 3.36Å; D756-Q759 WeakPolarHBondContact O-CG 3.48Å; D756-Q759 PolarHBondContact O-N 2.94Å; D756-Q759 VanDerWaalsContact O-N 3.12Å; L757-Q759 PolarHBondContact O-N 3.24Å; Q759-I771 VanDerWaalsContact CD-CG2 3.49Å; Q759-I771 HydrophobicContact CG-CG2 3.49Å; Q759-I771 VanDerWaalsContact CG-CG2 3.49Å; Q759-L772 PolarHBondContact NE2-O 2.75Å; Q759-F773 CarbonylContact O-C 3.58Å; Q759-F773 WeakPolarHBondContact O-CA 3.37Å; Q759-R774 PolarHBondContact O-N 3.07Å
760	V	91.5	Very high	85.3	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.048	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-104.7	-7.5	-176.5	-64.3	0	0	0	0	113.9	F663 L678 W754 L757 R758 R774	F663-V760 HydrophobicContact CE1-CB 3.97Å; F663-V760 HydrophobicContact CE1-CG1 4.05Å; F663-V760 HydrophobicContact CZ-CG1 4.5Å; L678-V760 HydrophobicContact CB-CG2 4.45Å; L678-V760 HydrophobicContact CD2-CB 4.03Å; L678-V760 HydrophobicContact CD2-CG2 3.8Å; W754-V760 HydrophobicContact CD2-CG1 3.3Å; W754-V760 HydrophobicContact CE3-CG1 3.59Å; W754-V760 HydrophobicContact CG-CG1 3.88Å; W754-V760 HydrophobicContact CH2-CG1 3.66Å; W754-V760 HydrophobicContact CZ2-CG1 3.39Å; W754-V760 HydrophobicContact CZ3-CG1 3.74Å; L757-V760 WeakPolarHBondContact O-CG2 3.5Å; R758-V760 PolarHBondContact O-N 3.12Å; R758-V760 VanDerWaalsContact O-N 3.08Å; V760-R774 VanDerWaalsContact O-CD 3.26Å; V760-R774 WeakPolarHBondContact O-CD 3.28Å
761	E	89.5	Confident	84.7	Confident	73 Å²	73	74.9 Å²	74.9	34%	0.341	38%	0.382	S	S	.	.			trans	-70.8	137.2	177.3	-64.1	-63.2	163.3	0	0	109.6	H668 R758 L763 A764	H668-E761 IonicContact CE1-OE1 2.79Å; H668-E761 IonicContact NE2-OE1 3.6Å; H668-E761 PolarHBondContact NE2-OE1 3.2Å; R758-E761 PolarHBondContact O-N 3.26Å; E761-L763 VanDerWaalsContact C-N 3.32Å; E761-L763 PolarHBondContact O-N 3.25Å; E761-A764 HydrophobicContact CB-CB 3.97Å; E761-A764 PolarHBondContact O-N 3.38Å
762	E	85.6	Confident	84.4	Confident	127 Å²	127	73.6 Å²	73.6	59%	0.593	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.5	-170.5	-176.7	164.6	-171.6	0	0	113.4	R774	E762-R774 IonicContact OE1-NH2 2.84Å; E762-R774 IonicContact OE2-NH2 3.49Å
763	L	82.2	Confident	84.2	Confident	157 Å²	157	73.6 Å²	73.6	82%	0.822	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	2.5	-175.8	-59.1	177.4	0	0	0	113.4	E761 T765	E761-L763 VanDerWaalsContact C-N 3.32Å; E761-L763 PolarHBondContact O-N 3.25Å; L763-T765 PolarHBondContact O-N 3.1Å
764	A	81.3	Confident	84.2	Confident	19 Å²	19	71.6 Å²	71.6	16%	0.157	37%	0.365	C	S	.	.			trans	-68.8	129.5	176	0	0	0	0	0	109.9	R758 E761 F773 S775	R758-A764 HydrophobicContact CB-CB 4.21Å; R758-A764 WeakPolarHBondContact O-CB 3.28Å; E761-A764 HydrophobicContact CB-CB 3.97Å; E761-A764 PolarHBondContact O-N 3.38Å; A764-F773 HydrophobicContact CB-CD1 3.8Å; A764-F773 HydrophobicContact CB-CE1 4.24Å; A764-S775 PolarHBondContact O-OG 3.08Å
765	T	72.2	Confident	84.1	Confident	101 Å²	101	71.2 Å²	71.2	62%	0.62	37%	0.368	S	S	*	.			trans	-129.1	169.1	-178.6	49.3	0	0	0	0	110.8	L763 D767	L763-T765 PolarHBondContact O-N 3.1Å; T765-D767 PolarHBondContact O-N 3.07Å
766	E	67.1	Low	84.2	Confident	125 Å²	125	67.5 Å²	67.5	58%	0.584	35%	0.345	S	S	*	.			trans	-62.1	108.2	-157.8	-155.9	176.9	-164	0	0	115
767	D	67.1	Low	84.4	Confident	118 Å²	118	65.3 Å²	65.3	63%	0.631	33%	0.333	S	S	*	.	S	Bend	trans	-99.3	-19.4	163.7	-73.4	-29.8	0	0	0	112.4	R758 T765	R758-D767 IonicContact CZ-OD2 2.66Å; R758-D767 IonicContact NH1-OD2 2.69Å; R758-D767 PolarHBondContact NH1-OD2 3.46Å; R758-D767 IonicContact NH2-OD2 3.63Å; T765-D767 PolarHBondContact O-N 3.07Å
768	N	75	Confident	84.7	Confident	61 Å²	61	64.6 Å²	64.6	33%	0.326	33%	0.332	S	S	.	.			trans	-149.7	117	-170.7	-177.1	-9.2	0	0	0	111.8	K770 I771	N768-K770 PolarHBondContact O-N 2.97Å; N768-K770 WeakPolarHBondContact OD1-CB 3.12Å; N768-K770 PolarHBondContact OD1-N 2.8Å; N768-I771 HydrophobicContact CB-CD1 4.17Å; N768-I771 HydrophobicContact CB-CG1 4.28Å; N768-I771 PolarHBondContact O-N 3.19Å
769	P	76.5	Confident	84.9	Confident	99 Å²	99	65.9 Å²	65.9	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-3.7	-176.6	29.6	-37	0	0	0	114.3
770	K	82.5	Confident	85	Confident	160 Å²	160	65.8 Å²	65.8	70%	0.696	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	2.6	175.1	-59.9	-179	179	176.6	0	113.3	K517 N768	K517-K770 CarbonylContact O-C 3.55Å; K517-K770 WeakPolarHBondContact O-CA 3.35Å; K517-K770 VanDerWaalsContact O-O 3.08Å; N768-K770 PolarHBondContact O-N 2.97Å; N768-K770 WeakPolarHBondContact OD1-CB 3.12Å; N768-K770 PolarHBondContact OD1-N 2.8Å
771	I	86.7	Confident	85.1	Confident	32 Å²	32	65.9 Å²	65.9	16%	0.164	34%	0.34	C	S	.	.	S	Bend	trans	-124.5	127.3	-179	-60	-179.4	0	0	0	108	K517 Q759 N768 F773	K517-I771 PolarHBondContact O-N 3.45Å; Q759-I771 VanDerWaalsContact CD-CG2 3.49Å; Q759-I771 HydrophobicContact CG-CG2 3.49Å; Q759-I771 VanDerWaalsContact CG-CG2 3.49Å; N768-I771 HydrophobicContact CB-CD1 4.17Å; N768-I771 HydrophobicContact CB-CG1 4.28Å; N768-I771 PolarHBondContact O-N 3.19Å; I771-F773 HydrophobicContact CB-CE2 4.1Å; I771-F773 HydrophobicContact CG2-CD2 4.37Å; I771-F773 HydrophobicContact CG2-CE2 3.87Å; I771-F773 HydrophobicContact CG2-CZ 4.01Å
772	L	90.9	Very high	85.3	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	34%	0.336	C	S	.	.			trans	-88.5	130.7	170.7	-80	167.5	0	0	0	110.5	M516 V519 L522 W752 Q759 D776 F777	M516-L772 HydrophobicContact CB-CD1 3.76Å; V519-L772 HydrophobicContact CG2-CD2 3.83Å; L522-L772 HydrophobicContact CD1-CD1 3.78Å; L522-L772 HydrophobicContact CD1-CD2 3.75Å; L522-L772 HydrophobicContact CD1-CG 4.43Å; L522-L772 HydrophobicContact CD2-CD1 4.33Å; L522-L772 HydrophobicContact CG-CD1 3.93Å; W752-L772 WeakPolarHBondContact CZ2-O 3.26Å; W752-L772 PolarHBondContact NE1-O 3.29Å; Q759-L772 PolarHBondContact NE2-O 2.75Å; L772-D776 HydrophobicContact CD2-CB 3.9Å; L772-F777 HydrophobicContact CB-CD2 4.4Å; L772-F777 HydrophobicContact CB-CE2 3.96Å; L772-F777 HydrophobicContact CD1-CE2 3.8Å; L772-F777 HydrophobicContact CD1-CZ 4.16Å; L772-F777 HydrophobicContact CG-CE2 4.34Å
773	F	92.2	Very high	85.7	Confident	2 Å²	2	62 Å²	62	1%	0.009	33%	0.33	C	S	.	.			trans	-102	161.4	172.6	-64.8	-95.2	0	0	0	111.1	R758 Q759 A764 I771 S775 D776 F777	R758-F773 HydrophobicContact CB-CE1 4.11Å; Q759-F773 CarbonylContact O-C 3.58Å; Q759-F773 WeakPolarHBondContact O-CA 3.37Å; A764-F773 HydrophobicContact CB-CD1 3.8Å; A764-F773 HydrophobicContact CB-CE1 4.24Å; I771-F773 HydrophobicContact CB-CE2 4.1Å; I771-F773 HydrophobicContact CG2-CD2 4.37Å; I771-F773 HydrophobicContact CG2-CE2 3.87Å; I771-F773 HydrophobicContact CG2-CZ 4.01Å; F773-S775 PolarHBondContact O-N 3.25Å; F773-D776 PolarHBondContact N-OD2 3.4Å; F773-D776 WeakPolarHBondContact O-CB 3.14Å; F773-D776 PolarHBondContact O-N 3.3Å; F773-D776 VanDerWaalsContact O-N 3.11Å; F773-F777 PolarHBondContact O-N 3.44Å
774	R	93	Very high	86.1	Confident	34 Å²	34	58 Å²	58	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-54.7	-41.4	174.1	173.2	177.2	166.9	-170.5	-7.7	111.3	F663 W752 Q759 V760 E762 D776 F777 V778	F663-R774 VanDerWaalsContact CB-CZ 3.5Å; F663-R774 HydrophobicContact CD2-CG 4.1Å; F663-R774 HydrophobicContact CE2-CB 4.48Å; F663-R774 HydrophobicContact CE2-CG 3.77Å; F663-R774 HydrophobicContact CZ-CB 4.41Å; F663-R774 HydrophobicContact CZ-CG 4.13Å; W752-R774 HydrophobicContact CH2-CB 4.18Å; Q759-R774 PolarHBondContact O-N 3.07Å; V760-R774 VanDerWaalsContact O-CD 3.26Å; V760-R774 WeakPolarHBondContact O-CD 3.28Å; E762-R774 IonicContact OE1-NH2 2.84Å; E762-R774 IonicContact OE2-NH2 3.49Å; R774-D776 VanDerWaalsContact C-N 3.31Å; R774-D776 PolarHBondContact O-N 3.2Å; R774-F777 PolarHBondContact O-N 3.36Å; R774-V778 HydrophobicContact CG-CG2 4.29Å; R774-V778 VanDerWaalsContact O-CG2 3.32Å; R774-V778 WeakPolarHBondContact O-CG2 3.5Å; R774-V778 PolarHBondContact O-N 3.32Å
775	S	90.9	Very high	86.5	Confident	28 Å²	28	60.3 Å²	60.3	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-40.8	176.6	51.1	0	0	0	0	112.4	A764 F773 V778 K779	A764-S775 PolarHBondContact O-OG 3.08Å; F773-S775 PolarHBondContact O-N 3.25Å; S775-V778 PolarHBondContact O-N 3.23Å; S775-K779 WeakPolarHBondContact O-CB 3.13Å; S775-K779 PolarHBondContact O-N 3.34Å
776	D	91.4	Very high	86.9	Confident	25 Å²	25	58.2 Å²	58.2	13%	0.134	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-43.8	175.6	-60	-44.1	0	0	0	112.1	V519 L772 F773 R774 F780	V519-D776 HydrophobicContact CG2-CB 3.83Å; L772-D776 HydrophobicContact CD2-CB 3.9Å; F773-D776 PolarHBondContact N-OD2 3.4Å; F773-D776 WeakPolarHBondContact O-CB 3.14Å; F773-D776 PolarHBondContact O-N 3.3Å; F773-D776 VanDerWaalsContact O-N 3.11Å; R774-D776 VanDerWaalsContact C-N 3.31Å; R774-D776 PolarHBondContact O-N 3.2Å; D776-F780 WeakPolarHBondContact O-CB 3.45Å; D776-F780 PolarHBondContact O-N 3.06Å
777	F	92.1	Very high	86.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-44.3	176.7	-93.1	-84.6	0	0	0	112	L522 M659 M695 W752 L772 F773 R774 F780 I781	L522-F777 HydrophobicContact CD1-CD1 4.19Å; L522-F777 HydrophobicContact CD1-CD2 4.42Å; L522-F777 HydrophobicContact CD1-CE1 3.92Å; L522-F777 HydrophobicContact CD1-CE2 4.15Å; L522-F777 HydrophobicContact CD1-CG 4.44Å; L522-F777 HydrophobicContact CD1-CZ 3.9Å; L522-F777 HydrophobicContact CD2-CE1 3.69Å; L522-F777 HydrophobicContact CD2-CZ 3.69Å; L522-F777 HydrophobicContact CG-CE1 4.49Å; L522-F777 HydrophobicContact CG-CZ 4.41Å; M659-F777 HydrophobicContact CE-CB 4.32Å; M659-F777 HydrophobicContact CE-CD1 3.81Å; M659-F777 HydrophobicContact CE-CE1 4.39Å; M659-F777 HydrophobicContact CE-CG 4.17Å; M659-F777 HydrophobicContact SD-CB 3.66Å; M659-F777 HydrophobicContact SD-CD1 4.28Å; M659-F777 HydrophobicContact SD-CG 4.13Å; M695-F777 HydrophobicContact CE-CE1 4.1Å; M695-F777 HydrophobicContact CE-CZ 3.98Å; M695-F777 HydrophobicContact SD-CE1 3.88Å; M695-F777 HydrophobicContact SD-CZ 4.37Å; W752-F777 HydrophobicContact CB-CE2 4.1Å; W752-F777 HydrophobicContact CB-CZ 3.95Å; W752-F777 AromaticContact CD1-CE2 3.91Å; W752-F777 AromaticContact CD2-CD2 3.82Å; W752-F777 HydrophobicContact CD2-CD2 3.82Å; W752-F777 AromaticContact CD2-CE2 3.23Å; W752-F777 HydrophobicContact CD2-CE2 3.23Å; W752-F777 AromaticContact CD2-CZ 3.9Å; W752-F777 HydrophobicContact CD2-CZ 3.9Å; W752-F777 AromaticContact CE2-CD2 3.93Å; W752-F777 AromaticContact CE2-CE2 3.61Å; W752-F777 AromaticContact CE3-CD2 3.7Å; W752-F777 HydrophobicContact CE3-CD2 3.7Å; W752-F777 AromaticContact CE3-CE2 3.44Å; W752-F777 HydrophobicContact CE3-CE2 3.44Å; W752-F777 VanDerWaalsContact CE3-CE2 3.44Å; W752-F777 HydrophobicContact CE3-CG 4.39Å; W752-F777 AromaticContact CE3-CZ 3.95Å; W752-F777 HydrophobicContact CE3-CZ 3.95Å; W752-F777 AromaticContact CG-CE2 3.51Å; W752-F777 HydrophobicContact CG-CE2 3.51Å; W752-F777 AromaticContact CG-CZ 3.88Å; W752-F777 HydrophobicContact CG-CZ 3.88Å; W752-F777 AromaticContact CH2-CD2 3.98Å; W752-F777 HydrophobicContact CH2-CD2 3.98Å; W752-F777 HydrophobicContact CH2-CE2 4.4Å; W752-F777 HydrophobicContact CZ2-CD2 4.04Å; W752-F777 HydrophobicContact CZ2-CE2 4.19Å; W752-F777 AromaticContact CZ3-CD2 3.79Å; W752-F777 HydrophobicContact CZ3-CD2 3.79Å; W752-F777 HydrophobicContact CZ3-CE2 4.04Å; W752-F777 HydrophobicContact CZ3-CG 4.34Å; W752-F777 AromaticContact NE1-CE2 3.95Å; L772-F777 HydrophobicContact CB-CD2 4.4Å; L772-F777 HydrophobicContact CB-CE2 3.96Å; L772-F777 HydrophobicContact CD1-CE2 3.8Å; L772-F777 HydrophobicContact CD1-CZ 4.16Å; L772-F777 HydrophobicContact CG-CE2 4.34Å; F773-F777 PolarHBondContact O-N 3.44Å; R774-F777 PolarHBondContact O-N 3.36Å; F777-F780 PolarHBondContact O-N 2.75Å; F777-I781 WeakPolarHBondContact O-CB 3.2Å; F777-I781 WeakPolarHBondContact O-CD1 3.42Å; F777-I781 VanDerWaalsContact O-CG1 3.23Å; F777-I781 WeakPolarHBondContact O-CG1 3.25Å; F777-I781 PolarHBondContact O-N 3.42Å
778	V	91.5	Very high	85.4	Confident	70 Å²	70	60.7 Å²	60.7	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-47.2	178	169.9	0	0	0	0	110.3	R774 S775 I781 A782	R774-V778 HydrophobicContact CG-CG2 4.29Å; R774-V778 VanDerWaalsContact O-CG2 3.32Å; R774-V778 WeakPolarHBondContact O-CG2 3.5Å; R774-V778 PolarHBondContact O-N 3.32Å; S775-V778 PolarHBondContact O-N 3.23Å; V778-I781 PolarHBondContact O-N 3.28Å; V778-A782 WeakPolarHBondContact O-CB 3.41Å; V778-A782 PolarHBondContact O-N 3.29Å
779	K	91.6	Very high	85.9	Confident	138 Å²	138	60.7 Å²	60.7	60%	0.6	34%	0.338	S	S	*	.	H	α-helix	trans	-61.7	-48.3	175.9	-176.3	177.7	178.2	-179	0	111.8	S775 I781 A782 D783	S775-K779 WeakPolarHBondContact O-CB 3.13Å; S775-K779 PolarHBondContact O-N 3.34Å; K779-I781 VanDerWaalsContact C-N 3.29Å; K779-I781 PolarHBondContact O-N 2.93Å; K779-A782 PolarHBondContact O-N 3.5Å; K779-A782 VanDerWaalsContact O-N 3.16Å; K779-D783 WeakPolarHBondContact O-CB 3.05Å; K779-D783 VanDerWaalsContact O-CG 3.24Å; K779-D783 PolarHBondContact O-N 2.74Å
780	F	93.9	Very high	86.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-55.3	-43.7	176.8	165.9	-100.3	0	0	0	112.4	L522 N523 I526 V529 D776 F777 K784	L522-F780 HydrophobicContact CB-CD2 4.17Å; L522-F780 HydrophobicContact CB-CE2 4.1Å; L522-F780 HydrophobicContact CB-CG 4.45Å; L522-F780 HydrophobicContact CB-CZ 4.34Å; L522-F780 HydrophobicContact CD1-CD1 4.5Å; L522-F780 HydrophobicContact CD1-CG 4.4Å; N523-F780 WeakPolarHBondContact OD1-CE2 3.36Å; I526-F780 HydrophobicContact CB-CE1 4.25Å; I526-F780 HydrophobicContact CB-CZ 3.76Å; I526-F780 HydrophobicContact CD1-CE1 4.36Å; I526-F780 HydrophobicContact CG2-CE1 4.04Å; I526-F780 HydrophobicContact CG2-CZ 3.8Å; V529-F780 HydrophobicContact CG2-CE1 3.85Å; V529-F780 HydrophobicContact CG2-CZ 4.19Å; D776-F780 WeakPolarHBondContact O-CB 3.45Å; D776-F780 PolarHBondContact O-N 3.06Å; F777-F780 PolarHBondContact O-N 2.75Å; F780-K784 HydrophobicContact CD2-CG 4.27Å; F780-K784 HydrophobicContact CE1-CG 4.41Å; F780-K784 HydrophobicContact CE2-CD 4.3Å; F780-K784 VanDerWaalsContact CE2-CE 3.45Å; F780-K784 HydrophobicContact CE2-CG 3.8Å; F780-K784 HydrophobicContact CZ-CD 4.48Å; F780-K784 HydrophobicContact CZ-CG 3.85Å; F780-K784 WeakPolarHBondContact O-CB 3.44Å; F780-K784 VanDerWaalsContact O-CG 3.24Å; F780-K784 WeakPolarHBondContact O-CG 3.33Å; F780-K784 PolarHBondContact O-N 3.43Å; F780-K784 VanDerWaalsContact O-N 3.12Å
781	I	94.5	Very high	86.6	Confident	11 Å²	11	53 Å²	53	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-46.6	177.5	-70.9	161.1	0	0	0	110.6	V529 L656 M659 F777 V778 K779 D783 K784 L785	V529-I781 HydrophobicContact CG1-CG1 4.18Å; V529-I781 HydrophobicContact CG1-CG2 4.28Å; L656-I781 HydrophobicContact CD1-CD1 4.38Å; L656-I781 HydrophobicContact CG-CD1 4.36Å; L656-I781 HydrophobicContact CG-CG1 4.49Å; L656-I781 WeakPolarHBondContact O-CD1 3.26Å; M659-I781 HydrophobicContact CB-CD1 3.86Å; M659-I781 HydrophobicContact CE-CD1 4.49Å; M659-I781 HydrophobicContact SD-CD1 4.17Å; F777-I781 WeakPolarHBondContact O-CB 3.2Å; F777-I781 WeakPolarHBondContact O-CD1 3.42Å; F777-I781 VanDerWaalsContact O-CG1 3.23Å; F777-I781 WeakPolarHBondContact O-CG1 3.25Å; F777-I781 PolarHBondContact O-N 3.42Å; V778-I781 PolarHBondContact O-N 3.28Å; K779-I781 VanDerWaalsContact C-N 3.29Å; K779-I781 PolarHBondContact O-N 2.93Å; I781-D783 PolarHBondContact O-N 3.21Å; I781-K784 PolarHBondContact O-N 3.21Å; I781-L785 HydrophobicContact CG2-CD1 3.74Å; I781-L785 HydrophobicContact CG2-CG 4.4Å; I781-L785 WeakPolarHBondContact O-CG 3.42Å; I781-L785 PolarHBondContact O-N 3.35Å
782	A	93.1	Very high	86.6	Confident	30 Å²	30	54.2 Å²	54.2	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-46	178.7	0	0	0	0	0	112	V778 K779 K784 L785 G786 H787	V778-A782 WeakPolarHBondContact O-CB 3.41Å; V778-A782 PolarHBondContact O-N 3.29Å; K779-A782 PolarHBondContact O-N 3.5Å; K779-A782 VanDerWaalsContact O-N 3.16Å; A782-K784 VanDerWaalsContact C-N 3.31Å; A782-K784 PolarHBondContact O-N 3.17Å; A782-L785 PolarHBondContact O-N 3.4Å; A782-G786 PolarHBondContact O-N 2.99Å; A782-G786 VanDerWaalsContact O-N 3.09Å; A782-H787 HydrophobicContact CB-CB 4.49Å; A782-H787 PolarHBondContact O-N 2.87Å
783	D	93.6	Very high	86.3	Confident	87 Å²	87	57.5 Å²	57.5	47%	0.465	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-40.8	177.3	-68.3	-15	0	0	0	111.4	K779 I781 G786	K779-D783 WeakPolarHBondContact O-CB 3.05Å; K779-D783 VanDerWaalsContact O-CG 3.24Å; K779-D783 PolarHBondContact O-N 2.74Å; I781-D783 PolarHBondContact O-N 3.21Å; D783-G786 PolarHBondContact O-N 2.9Å
784	K	91.7	Very high	85.9	Confident	74 Å²	74	61.2 Å²	61.2	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-72.7	-30.3	179.5	-73.1	-67.4	-174.3	-176.1	0	114	N523 I526 V529 F780 I781 A782 G786	N523-K784 WeakPolarHBondContact OD1-CE 3.45Å; I526-K784 WeakPolarHBondContact O-CE 3.46Å; V529-K784 HydrophobicContact CB-CB 4.38Å; V529-K784 HydrophobicContact CG2-CB 3.48Å; V529-K784 VanDerWaalsContact CG2-CB 3.48Å; V529-K784 HydrophobicContact CG2-CG 3.74Å; F780-K784 HydrophobicContact CD2-CG 4.27Å; F780-K784 HydrophobicContact CE1-CG 4.41Å; F780-K784 HydrophobicContact CE2-CD 4.3Å; F780-K784 VanDerWaalsContact CE2-CE 3.45Å; F780-K784 HydrophobicContact CE2-CG 3.8Å; F780-K784 HydrophobicContact CZ-CD 4.48Å; F780-K784 HydrophobicContact CZ-CG 3.85Å; F780-K784 WeakPolarHBondContact O-CB 3.44Å; F780-K784 VanDerWaalsContact O-CG 3.24Å; F780-K784 WeakPolarHBondContact O-CG 3.33Å; F780-K784 PolarHBondContact O-N 3.43Å; F780-K784 VanDerWaalsContact O-N 3.12Å; I781-K784 PolarHBondContact O-N 3.21Å; A782-K784 VanDerWaalsContact C-N 3.31Å; A782-K784 PolarHBondContact O-N 3.17Å; K784-G786 VanDerWaalsContact C-N 3.34Å
785	L	88.5	Confident	85.4	Confident	67 Å²	67	63.1 Å²	63.1	35%	0.351	37%	0.365	S	S	.	.	H	α-helix	trans	-85.5	-8.3	177.3	-66	174.8	0	0	0	112.8	Q657 I781 A782 H787	Q657-L785 HydrophobicContact CB-CD1 4Å; I781-L785 HydrophobicContact CG2-CD1 3.74Å; I781-L785 HydrophobicContact CG2-CG 4.4Å; I781-L785 WeakPolarHBondContact O-CG 3.42Å; I781-L785 PolarHBondContact O-N 3.35Å; A782-L785 PolarHBondContact O-N 3.4Å; L785-H787 VanDerWaalsContact CB-CD2 3.42Å; L785-H787 WeakPolarHBondContact CB-CD2 3.32Å
786	G	81.1	Confident	85	Confident	57 Å²	57	65.8 Å²	65.8	59%	0.588	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	27.5	-176.3	0	0	0	0	0	113.2	A782 D783 K784 S788	A782-G786 PolarHBondContact O-N 2.99Å; A782-G786 VanDerWaalsContact O-N 3.09Å; D783-G786 PolarHBondContact O-N 2.9Å; K784-G786 VanDerWaalsContact C-N 3.34Å; G786-S788 VanDerWaalsContact C-N 3.35Å
787	H	60.2	Low	84.5	Confident	144 Å²	144	69.3 Å²	69.3	67%	0.667	40%	0.399	S	S	*	.			trans	-92.4	11.6	177.7	-71.5	-51.2	0	0	0	113.6	A782 L785	A782-H787 HydrophobicContact CB-CB 4.49Å; A782-H787 PolarHBondContact O-N 2.87Å; L785-H787 VanDerWaalsContact CB-CD2 3.42Å; L785-H787 WeakPolarHBondContact CB-CD2 3.32Å
788	S	42	Very low	83.8	Confident	151 Å²	151	75.5 Å²	75.5	100%	1.056	44%	0.435	S	S	*	.			trans	-69.9	0	175	63	0	0	0	0	112.7	G786	G786-S788 VanDerWaalsContact C-N 3.35Å

Retrieved 788 of 788 residues in 538.6 ms (Link to these results)

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