A0A087XGP9_POEFO Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A087XGP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 268 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	31.8	Very low	48.9	Very low	219 Å²	219	79.9 Å²	79.9	100%	1.079	43%	0.434	S	S	*	.				0	118.3	0	-78.6	174.8	176.7	0	0	104.2	N3	M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.4Å
2	D	31.6	Very low	49.4	Very low	161 Å²	161	75.1 Å²	75.1	86%	0.861	41%	0.407	S	S	*	.			trans	-72.2	88.2	-171.7	-62.4	-31	0	0	0	109	T4	D2-T4 PolarHBondContact O-N 2.83Å; D2-T4 VanDerWaalsContact O-N 3.12Å
3	N	39.4	Very low	49.6	Very low	104 Å²	104	75.7 Å²	75.7	56%	0.556	42%	0.418	S	S	*	.			trans	-85.3	67.6	176.4	-66.4	-9.2	0	0	0	108.3	M1 F234	M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.4Å; N3-F234 HydrophobicContact CB-CD1 4.21Å; N3-F234 HydrophobicContact CB-CE1 3.88Å; N3-F234 HydrophobicContact CB-CZ 4.27Å; N3-F234 WeakPolarHBondContact O-CE1 3.43Å; N3-F234 VanDerWaalsContact O-CZ 3.32Å; N3-F234 WeakPolarHBondContact O-CZ 3.37Å
4	T	39.5	Very low	49.7	Very low	78 Å²	78	82.1 Å²	82.1	48%	0.479	44%	0.439	S	S	.	.			trans	-94.6	139.1	167.4	36.7	0	0	0	0	107.7	D2 I6 Q9	D2-T4 PolarHBondContact O-N 2.83Å; D2-T4 VanDerWaalsContact O-N 3.12Å; T4-I6 PolarHBondContact O-N 2.77Å; T4-I6 VanDerWaalsContact O-N 3.11Å; T4-Q9 PolarHBondContact OG1-NE2 2.8Å
5	S	49.3	Very low	50.2	Low	2 Å²	2	80.1 Å²	80.1	1%	0.014	43%	0.426	C	S	.	.			trans	-49.7	122.1	175.5	-121.1	0	0	0	0	110.2	I7 T8 E107	S5-I7 PolarHBondContact O-N 2.93Å; S5-T8 PolarHBondContact O-N 2.99Å; S5-T8 PolarHBondContact O-OG1 3.08Å; S5-E107 WeakPolarHBondContact CB-OE1 3.38Å; S5-E107 WeakPolarHBondContact CB-OE2 3.49Å; S5-E107 PolarHBondContact OG-OE1 3.05Å; S5-E107 PolarHBondContact OG-OE2 3.3Å
6	I	55.4	Low	50.2	Low	69 Å²	69	83.3 Å²	83.3	35%	0.354	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-20.4	-174.5	-53.4	176.2	0	0	0	110.3	T4 Q9 F114	T4-I6 PolarHBondContact O-N 2.77Å; T4-I6 VanDerWaalsContact O-N 3.11Å; I6-Q9 PolarHBondContact O-N 3.08Å; I6-F114 HydrophobicContact CB-CD2 3.72Å; I6-F114 HydrophobicContact CB-CE2 3.91Å; I6-F114 HydrophobicContact CD1-CD2 4.35Å; I6-F114 HydrophobicContact CG2-CD2 3.47Å; I6-F114 VanDerWaalsContact CG2-CD2 3.47Å; I6-F114 HydrophobicContact CG2-CE2 3.6Å
7	I	59	Low	49.7	Very low	7 Å²	7	87.4 Å²	87.4	4%	0.036	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-32.3	-174.2	-56.6	178.9	0	0	0	112.2	S5 Q9 V10 F114 V135 Y166 R186	S5-I7 PolarHBondContact O-N 2.93Å; I7-Q9 PolarHBondContact O-N 3.28Å; I7-Q9 VanDerWaalsContact O-N 3.16Å; I7-V10 PolarHBondContact O-N 3.33Å; I7-F114 HydrophobicContact CG1-CE2 3.8Å; I7-F114 HydrophobicContact CG1-CZ 3.93Å; I7-V135 HydrophobicContact CD1-CB 4.33Å; I7-V135 HydrophobicContact CD1-CG1 3.47Å; I7-V135 VanDerWaalsContact CD1-CG1 3.47Å; I7-V135 HydrophobicContact CD1-CG2 3.9Å; I7-Y166 HydrophobicContact CD1-CD1 4.16Å; I7-Y166 HydrophobicContact CD1-CD2 3.43Å; I7-Y166 VanDerWaalsContact CD1-CD2 3.43Å; I7-Y166 HydrophobicContact CD1-CE1 4.16Å; I7-Y166 HydrophobicContact CD1-CE2 3.4Å; I7-Y166 VanDerWaalsContact CD1-CE2 3.4Å; I7-Y166 HydrophobicContact CD1-CG 3.83Å; I7-Y166 HydrophobicContact CG2-CD1 3.67Å; I7-Y166 HydrophobicContact CG2-CD2 4.46Å; I7-Y166 HydrophobicContact CG2-CE1 4.3Å; I7-Y166 HydrophobicContact CG2-CG 3.78Å; I7-R186 PolarHBondContact O-NH2 2.87Å
8	T	59	Low	49.1	Very low	44 Å²	44	86.4 Å²	86.4	27%	0.27	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.7	172.8	54.6	0	0	0	0	112	S5 R186	S5-T8 PolarHBondContact O-N 2.99Å; S5-T8 PolarHBondContact O-OG1 3.08Å; T8-R186 PolarHBondContact O-NH2 3.14Å
9	Q	56.4	Low	48.8	Very low	121 Å²	121	87.2 Å²	87.2	57%	0.565	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-11	178.5	-57.1	-177.2	0.6	0	0	114.8	T4 I6 I7 A11	T4-Q9 PolarHBondContact OG1-NE2 2.8Å; I6-Q9 PolarHBondContact O-N 3.08Å; I7-Q9 PolarHBondContact O-N 3.28Å; I7-Q9 VanDerWaalsContact O-N 3.16Å; Q9-A11 PolarHBondContact O-N 2.84Å; Q9-A11 VanDerWaalsContact O-N 3.1Å
10	V	61.6	Low	48.2	Very low	24 Å²	24	87.2 Å²	87.2	15%	0.145	47%	0.466	C	S	.	.	S	Bend	trans	-68.7	110	177.6	178.5	0	0	0	0	108.3	I7 F114 I128 L163 R186	I7-V10 PolarHBondContact O-N 3.33Å; V10-F114 HydrophobicContact CG2-CZ 4.39Å; V10-I128 HydrophobicContact CG1-CD1 4.38Å; V10-I128 HydrophobicContact CG1-CG2 4.07Å; V10-I128 HydrophobicContact CG2-CD1 4.05Å; V10-L163 HydrophobicContact CG1-CD1 4.38Å; V10-R186 PolarHBondContact O-NH1 3.04Å
11	A	55.2	Low	47.4	Very low	50 Å²	50	87.5 Å²	87.5	41%	0.413	48%	0.476	S	S	.	.			trans	-60.8	144.6	-177.8	0	0	0	0	0	111.7	Q9	Q9-A11 PolarHBondContact O-N 2.84Å; Q9-A11 VanDerWaalsContact O-N 3.1Å
12	N	54.8	Low	47.7	Very low	22 Å²	22	81.8 Å²	81.8	12%	0.118	46%	0.457	C	S	.	.			trans	-78.2	130.3	169.6	-167.8	-29	0	0	0	108.1	K14 E15 L163 E187	N12-K14 PolarHBondContact O-N 2.66Å; N12-K14 PolarHBondContact OD1-N 2.94Å; N12-E15 HydrophobicContact CB-CB 4.44Å; N12-E15 HydrophobicContact CB-CG 3.97Å; N12-E15 PolarHBondContact N-OE2 2.79Å; N12-E15 WeakPolarHBondContact O-CB 3.28Å; N12-E15 PolarHBondContact O-N 2.68Å; N12-L163 HydrophobicContact CB-CD2 4.47Å; N12-E187 PolarHBondContact ND2-OE1 3.13Å
13	P	51.6	Low	47.7	Very low	83 Å²	83	81.6 Å²	81.6	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-53.8	-28	178.3	-28	34.3	0	0	0	114	E15 E16	P13-E15 VanDerWaalsContact C-N 3.32Å; P13-E15 PolarHBondContact O-N 2.97Å; P13-E16 PolarHBondContact O-N 3.25Å
14	K	51.8	Low	47.3	Very low	166 Å²	166	84.1 Å²	84.1	72%	0.722	47%	0.465	S	S	*	.	H	α-helix	trans	-71.8	-22.1	175.4	-65.1	-177.3	-179.7	176.8	0	113.9	N12	N12-K14 PolarHBondContact O-N 2.66Å; N12-K14 PolarHBondContact OD1-N 2.94Å
15	E	56.5	Low	47	Very low	51 Å²	51	89.8 Å²	89.8	24%	0.238	48%	0.483	C	S	.	.	H	α-helix	trans	-75.8	-34.3	176.2	-72.4	164.5	-174.7	0	0	111.1	N12 P13 E17 S18 I19 Y196	N12-E15 HydrophobicContact CB-CB 4.44Å; N12-E15 HydrophobicContact CB-CG 3.97Å; N12-E15 PolarHBondContact N-OE2 2.79Å; N12-E15 WeakPolarHBondContact O-CB 3.28Å; N12-E15 PolarHBondContact O-N 2.68Å; P13-E15 VanDerWaalsContact C-N 3.32Å; P13-E15 PolarHBondContact O-N 2.97Å; E15-E17 VanDerWaalsContact C-N 3.32Å; E15-E17 PolarHBondContact O-N 2.78Å; E15-S18 PolarHBondContact O-N 3.43Å; E15-S18 VanDerWaalsContact O-N 3.13Å; E15-S18 PolarHBondContact O-OG 2.79Å; E15-I19 WeakPolarHBondContact O-CG1 3.28Å; E15-I19 PolarHBondContact O-N 3.2Å; E15-I19 VanDerWaalsContact O-N 3.1Å; E15-Y196 PolarHBondContact OE1-OH 3.19Å; E15-Y196 PolarHBondContact OE2-OH 3.24Å
16	E	49.8	Very low	46	Very low	131 Å²	131	96.6 Å²	96.6	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-61.8	-38.1	178.2	-65.5	-165.2	160.7	0	0	112.5	P13 S18 I19 S20	P13-E16 PolarHBondContact O-N 3.25Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 3.39Å; E16-I19 PolarHBondContact O-N 3.43Å; E16-S20 VanDerWaalsContact O-CB 3.28Å; E16-S20 WeakPolarHBondContact O-CB 3.42Å; E16-S20 PolarHBondContact O-N 3.26Å
17	E	41.9	Very low	44.8	Very low	154 Å²	154	98.7 Å²	98.7	72%	0.72	54%	0.544	S	S	*	.	H	α-helix	trans	-66.4	-35.8	175.4	-70.4	-172.3	158.6	0	0	112.4	E15 S21	E15-E17 VanDerWaalsContact C-N 3.32Å; E15-E17 PolarHBondContact O-N 2.78Å; E17-S21 PolarHBondContact O-N 3.1Å
18	S	39.8	Very low	43.5	Very low	69 Å²	69	107.6 Å²	107.6	48%	0.483	59%	0.586	S	S	.	*	H	α-helix	trans	-71	-35	179.2	75.3	0	0	0	0	112.2	E15 E16 S21	E15-S18 PolarHBondContact O-N 3.43Å; E15-S18 VanDerWaalsContact O-N 3.13Å; E15-S18 PolarHBondContact O-OG 2.79Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 3.39Å; S18-S21 PolarHBondContact O-OG 2.73Å
19	I	43.9	Very low	41.9	Very low	102 Å²	102	111.1 Å²	111.1	52%	0.523	61%	0.613	S	S	.	*	H	α-helix	trans	-77.7	-37.7	178.8	-63.1	165.4	0	0	0	110.7	E15 E16 S21 S22	E15-I19 WeakPolarHBondContact O-CG1 3.28Å; E15-I19 PolarHBondContact O-N 3.2Å; E15-I19 VanDerWaalsContact O-N 3.1Å; E16-I19 PolarHBondContact O-N 3.43Å; I19-S21 PolarHBondContact O-N 3.43Å; I19-S22 PolarHBondContact O-N 3.13Å; I19-S22 VanDerWaalsContact O-N 3.13Å
20	S	35	Very low	40.5	Very low	86 Å²	86	113.5 Å²	113.5	60%	0.601	63%	0.629	S	S	*	*	H	α-helix	trans	-56.7	-34.7	175.6	165.1	0	0	0	0	112.7	E16 S22	E16-S20 VanDerWaalsContact O-CB 3.28Å; E16-S20 WeakPolarHBondContact O-CB 3.42Å; E16-S20 PolarHBondContact O-N 3.26Å; S20-S22 PolarHBondContact O-N 2.94Å
21	S	33.3	Very low	38.9	Very low	95 Å²	95	118.1 Å²	118.1	66%	0.664	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-11.1	-179.8	74.6	0	0	0	0	115	E17 S18 I19	E17-S21 PolarHBondContact O-N 3.1Å; S18-S21 PolarHBondContact O-OG 2.73Å; I19-S21 PolarHBondContact O-N 3.43Å
22	S	36.4	Very low	37.6	Very low	98 Å²	98	121.2 Å²	121.2	69%	0.685	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	2.9	-171.9	-63.4	0	0	0	0	115	I19 S20	I19-S22 PolarHBondContact O-N 3.13Å; I19-S22 VanDerWaalsContact O-N 3.13Å; S20-S22 PolarHBondContact O-N 2.94Å
23	Q	32.2	Very low	36.3	Very low	157 Å²	157	128.6 Å²	128.6	73%	0.734	72%	0.719	S	S	*	*			trans	-110.9	1.9	-174.5	-75.2	-168.8	-12.2	0	0	116.7	K25	Q23-K25 PolarHBondContact O-N 3.48Å; Q23-K25 VanDerWaalsContact O-N 3.13Å
24	D	31.8	Very low	35.1	Very low	158 Å²	158	133.5 Å²	133.5	85%	0.845	73%	0.733	S	S	*	*			trans	-89.3	80.8	175.1	-79.8	-28.6	0	0	0	112.4
25	K	33	Very low	34	Very low	197 Å²	197	135.1 Å²	135.1	86%	0.857	74%	0.74	S	S	*	*			trans	-180	102.3	144.9	-101.1	166	-171.6	-179.9	0	109.5	Q23	Q23-K25 PolarHBondContact O-N 3.48Å; Q23-K25 VanDerWaalsContact O-N 3.13Å
26	V	28.4	Very low	32.5	Very low	145 Å²	145	140.5 Å²	140.5	88%	0.879	76%	0.764	S	S	*	*				-177	134.8	121.4	161.8	0	0	0	0	108.9
27	S	30	Very low	31.5	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	78%	0.775	S	S	*	*			trans	-67.1	156.2	-170.5	41.5	0	0	0	0	116.5
28	Q	30.8	Very low	30.9	Very low	194 Å²	194	143.4 Å²	143.4	91%	0.907	78%	0.782	S	S	*	*			trans	-44.7	141	171.3	-63.9	168.1	-10.7	0	0	115.8
29	S	26.1	Very low	30.5	Very low	119 Å²	119	151.4 Å²	151.4	83%	0.832	80%	0.802	S	S	*	*			trans	-159.6	123.7	135	61.1	0	0	0	0	111.2
30	N	27.2	Very low	30	Very low	170 Å²	170	151.2 Å²	151.2	91%	0.909	81%	0.809	S	S	*	*			trans	-74	140.1	172.8	-80.1	-34	0	0	0	111.8
31	S	28.6	Very low	30.1	Very low	121 Å²	121	153.6 Å²	153.6	85%	0.846	81%	0.814	S	S	*	*			trans	-169.8	130.7	133.1	59.4	0	0	0	0	112.5
32	S	26.2	Very low	30.1	Very low	115 Å²	115	158.2 Å²	158.2	80%	0.804	82%	0.822	S	S	*	*			trans	-64.2	152.5	175.1	-49.2	0	0	0	0	114.4
33	L	28.3	Very low	29.9	Very low	177 Å²	177	158.3 Å²	158.3	93%	0.927	82%	0.823	S	S	*	*			trans	-179.6	158.1	131.3	-92.8	160.5	0	0	0	112.2
34	K	27.1	Very low	30.4	Very low	187 Å²	187	156 Å²	156	81%	0.813	82%	0.821	S	S	*	*			trans	-95.5	158.8	-153.7	-69.6	167.5	168.5	168.4	0	115.9
35	K	26.9	Very low	30.8	Very low	200 Å²	200	158.6 Å²	158.6	87%	0.87	83%	0.826	S	S	*	*			trans	64.1	146.5	147.2	-89.2	178.1	171.8	-178.4	0	116
36	H	25.5	Very low	31	Very low	163 Å²	163	159.1 Å²	159.1	76%	0.755	83%	0.828	S	S	*	*			cis	-166	165	30.7	-171.2	-99.7	0	0	0	112.1
37	R	28.7	Very low	31.1	Very low	222 Å²	222	156.8 Å²	156.8	84%	0.838	82%	0.817	S	S	*	*			trans	-50.6	148.4	173	-83.3	170.8	156.5	178.9	-5.3	116.1
38	S	30.7	Very low	31.4	Very low	124 Å²	124	156.8 Å²	156.8	87%	0.867	82%	0.816	S	S	*	*				-174.3	155.8	118.1	-170.2	0	0	0	0	112.6
39	R	30.8	Very low	31.5	Very low	238 Å²	238	156.3 Å²	156.3	90%	0.898	81%	0.811	S	S	*	*			trans	-90.7	151.5	-170.8	-65.8	173.8	159.4	170.5	-7.2	113.5
40	S	32.8	Very low	31.6	Very low	97 Å²	97	161.6 Å²	161.6	68%	0.678	81%	0.813	S	S	*	*				106.1	135.2	129	-147.5	0	0	0	0	121
41	I	36.9	Very low	31.9	Very low	136 Å²	136	160.4 Å²	160.4	70%	0.697	81%	0.807	S	S	*	*			trans	79.6	116.4	140.4	47.4	-162.5	0	0	0	125.4
42	F	33	Very low	31.8	Very low	192 Å²	192	164.2 Å²	164.2	84%	0.842	80%	0.804	S	S	*	*			trans	68.7	117.5	141.1	-72.5	-66.4	0	0	0	123.6
43	S	32.4	Very low	32.2	Very low	101 Å²	101	166.2 Å²	166.2	71%	0.706	81%	0.805	S	S	*	*			trans	78.2	173	131.8	-147.6	0	0	0	0	118.5
44	P	42.3	Very low	32.3	Very low	107 Å²	107	163.7 Å²	163.7	70%	0.695	79%	0.793	S	S	*	*				-113.9	159.4	-75.9	34.5	-21.2	0	0	0	111.1
45	F	40.1	Very low	32.4	Very low	213 Å²	213	165 Å²	165	93%	0.934	79%	0.794	S	S	*	*			trans	-109.6	107.3	171.8	-77.9	-78	0	0	0	111.9
46	F	37.3	Very low	32.8	Very low	209 Å²	209	163.8 Å²	163.8	92%	0.917	79%	0.791	S	S	*	*			trans	-111.2	156.9	153.2	-111.1	-84.7	0	0	0	108.6
47	C	31	Very low	33.4	Very low	96 Å²	96	162.3 Å²	162.3	65%	0.649	79%	0.794	S	S	*	*			trans	90.1	134.1	167.7	-153.4	0	0	0	0	115.7
48	C	36.8	Very low	33.6	Very low	112 Å²	112	159.9 Å²	159.9	76%	0.757	79%	0.792	S	S	*	*			cis	-152.7	157.2	26.8	-62.8	0	0	0	0	115.8
49	F	32.7	Very low	34	Very low	183 Å²	183	159.7 Å²	159.7	80%	0.803	79%	0.787	S	S	*	*			trans	-54.6	160.2	174.8	-62.3	-98.7	0	0	0	117.4
50	R	28.6	Very low	34.4	Very low	231 Å²	231	154 Å²	154	87%	0.872	78%	0.781	S	S	*	*				-169.6	132.4	105.7	-157.1	132.7	86.5	174.7	7.8	115
51	N	33.2	Very low	34.5	Very low	144 Å²	144	155.3 Å²	155.3	77%	0.77	79%	0.788	S	S	*	*			trans	-66.8	153.7	165.7	-74.4	-34.4	0	0	0	113.1
52	Y	27.3	Very low	34.6	Very low	201 Å²	201	153.7 Å²	153.7	79%	0.788	79%	0.794	S	S	*	*			trans	-145.5	115.8	148.9	-120.7	-89.7	0	0	0	109.5
53	N	32.9	Very low	34.6	Very low	157 Å²	157	152.1 Å²	152.1	84%	0.84	80%	0.795	S	S	*	*			trans	-112.6	155.9	162.4	-110	-13	0	0	0	107.1
54	D	30.8	Very low	34.9	Very low	125 Å²	125	154.5 Å²	154.5	67%	0.668	80%	0.8	S	S	*	*			trans	98.4	96.7	165.2	-155.9	19.3	0	0	0	117.2
55	Y	30	Very low	34.8	Very low	214 Å²	214	158.6 Å²	158.6	84%	0.839	81%	0.807	S	S	*	*			trans	-142.9	113.8	142.4	-86.4	-73.9	0	0	0	109.6
56	H	35.1	Very low	34.8	Very low	174 Å²	174	155.3 Å²	155.3	81%	0.806	80%	0.804	S	S	*	*			trans	-54.9	129.7	165	-126.2	-95.5	0	0	0	111.7
57	V	36.9	Very low	34.8	Very low	133 Å²	133	153 Å²	153	81%	0.806	80%	0.8	S	S	*	*			trans	-138.9	124.9	164.1	-176.2	0	0	0	0	109.4
58	E	34.3	Very low	35.1	Very low	171 Å²	171	153.5 Å²	153.5	80%	0.799	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.2	159.2	177.1	-74.4	-161.7	146	0	0	113.9
59	P	38.3	Very low	35.2	Very low	119 Å²	119	156.1 Å²	156.1	77%	0.773	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.1	159.3	177.6	32.6	-33.4	0	0	0	113.3
60	P	38.9	Very low	35.6	Very low	118 Å²	118	152.7 Å²	152.7	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-89	159.2	-156.6	35.8	-35	0	0	0	113.7
61	P	36.4	Very low	36.3	Very low	125 Å²	125	147.1 Å²	147.1	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-84.4	139.3	162.8	33.5	-28.6	0	0	0	110.8
62	A	38.1	Very low	36.8	Very low	102 Å²	102	145.5 Å²	145.5	84%	0.843	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.8	131.7	172.7	0	0	0	0	0	111.2
63	N	33.1	Very low	37.6	Very low	160 Å²	160	141.9 Å²	141.9	86%	0.856	80%	0.799	S	S	*	*			trans	-150.9	124.9	154.6	-142.3	-8	0	0	0	112.5
64	N	39.5	Very low	38	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	80%	0.8	S	S	*	*			trans	-73.4	117.7	-178.8	-71	-30.4	0	0	0	111.1
65	K	38.3	Very low	38.7	Very low	192 Å²	192	146.1 Å²	146.1	84%	0.835	81%	0.81	S	S	*	*			trans	-146.2	117.5	150.5	-73.6	-165.5	178.8	173.2	0	111.1	L67	K65-L67 PolarHBondContact O-N 3.19Å
66	T	41.7	Very low	39.4	Very low	144 Å²	144	143 Å²	143	88%	0.883	81%	0.808	S	S	*	*			trans	-60.2	115.6	173.1	-37	0	0	0	0	110.8
67	L	36.3	Very low	40.1	Very low	160 Å²	160	137.9 Å²	137.9	84%	0.838	80%	0.802	S	S	*	*			trans	-139.4	110.3	166	-78.7	168	0	0	0	109.2	K65	K65-L67 PolarHBondContact O-N 3.19Å
68	S	38.1	Very low	40.4	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	80%	0.796	S	S	*	*			trans	2.8	126.8	163.1	50	0	0	0	0	119.6
69	L	38.3	Very low	41.3	Very low	168 Å²	168	133.1 Å²	133.1	88%	0.88	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-54.1	139.5	164.7	-78.3	136.9	0	0	0	111.9
70	P	41.7	Very low	41.8	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.1	149.3	165.3	28.9	-31	0	0	0	110.5
71	P	43.2	Very low	42	Very low	114 Å²	114	137 Å²	137	74%	0.74	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-65.5	152.7	176.5	28.5	-32.7	0	0	0	110.7
72	P	42.4	Very low	42.5	Very low	111 Å²	111	136.3 Å²	136.3	72%	0.721	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.5	151.1	178.1	28.3	-33.3	0	0	0	110.3	E74	P72-E74 PolarHBondContact O-N 2.81Å
73	P	44.1	Very low	43.4	Very low	125 Å²	125	137.4 Å²	137.4	81%	0.812	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-60.6	129.4	175.1	25.8	-31.6	0	0	0	109.2	E75	P73-E75 PolarHBondContact O-N 3.09Å
74	E	42.5	Very low	45	Very low	183 Å²	183	133.7 Å²	133.7	86%	0.855	78%	0.782	S	S	*	*			trans	-57.6	111.7	171.9	-71.2	-176.6	156.7	0	0	108.9	P72 N76	P72-E74 PolarHBondContact O-N 2.81Å; E74-N76 VanDerWaalsContact C-N 3.29Å; E74-N76 PolarHBondContact O-N 3.19Å
75	E	45.8	Very low	47.3	Very low	188 Å²	188	136 Å²	136	88%	0.879	79%	0.785	S	S	*	*			trans	-66.6	92.2	168.9	-169.3	-179.6	-173.4	0	0	107.3	P73 G77	P73-E75 PolarHBondContact O-N 3.09Å; E75-G77 PolarHBondContact O-N 3.14Å
76	N	44.3	Very low	50	Low	147 Å²	147	132.8 Å²	132.8	79%	0.786	77%	0.771	S	S	*	*			trans	-60.8	96.3	163.9	-98.7	-23.8	0	0	0	107.1	E74 S78	E74-N76 VanDerWaalsContact C-N 3.29Å; E74-N76 PolarHBondContact O-N 3.19Å; N76-S78 PolarHBondContact O-N 3.11Å
77	G	49.7	Very low	52.7	Low	67 Å²	67	127.8 Å²	127.8	69%	0.691	74%	0.739	S	S	*	*			trans	-65.4	71.2	-179.9	0	0	0	0	0	112.7	E75	E75-G77 PolarHBondContact O-N 3.14Å
78	S	44.2	Very low	55.6	Low	96 Å²	96	120.6 Å²	120.6	67%	0.671	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-65.9	123.6	147.4	55.2	0	0	0	0	106.7	N76	N76-S78 PolarHBondContact O-N 3.11Å
79	P	52.4	Low	58.3	Low	109 Å²	109	120 Å²	120	71%	0.708	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-52.6	142.9	173.1	20.9	-30	0	0	0	108.5	K81	P79-K81 PolarHBondContact O-N 3.5Å
80	P	49.1	Very low	61	Low	123 Å²	123	120.8 Å²	120.8	80%	0.799	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-50.7	122.1	174.2	20.3	-30.2	0	0	0	107	P82	P80-P82 VanDerWaalsContact O-N 3.16Å
81	K	42.1	Very low	63.5	Low	196 Å²	196	118.5 Å²	118.5	85%	0.852	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-48.7	129.9	172.9	-89.5	-180	176.8	175.6	0	106	P79	P79-K81 PolarHBondContact O-N 3.5Å
82	P	48.2	Very low	65.9	Low	109 Å²	109	115.1 Å²	115.1	71%	0.708	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-50.7	138.9	174.9	21.5	-31.2	0	0	0	107.5	P80 A84	P80-P82 VanDerWaalsContact O-N 3.16Å; P82-A84 PolarHBondContact O-N 3.13Å; P82-A84 VanDerWaalsContact O-N 3.08Å
83	P	56.8	Low	68.3	Low	125 Å²	125	117.9 Å²	117.9	81%	0.812	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-49.3	127.2	179.7	19.8	-30.7	0	0	0	107.6	K85	P83-K85 PolarHBondContact O-N 3.13Å; P83-K85 VanDerWaalsContact O-N 3.08Å
84	A	66.8	Low	70.5	Confident	83 Å²	83	115.5 Å²	115.5	69%	0.686	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-52.9	124	-177.4	0	0	0	0	0	107.8	P82 F86	P82-A84 PolarHBondContact O-N 3.13Å; P82-A84 VanDerWaalsContact O-N 3.08Å; A84-F86 PolarHBondContact O-N 2.83Å
85	K	87.1	Confident	73	Confident	198 Å²	198	106.9 Å²	106.9	86%	0.861	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.1	129.7	178.6	-172.3	-179	177.4	-175.8	0	108.3	P83	P83-K85 PolarHBondContact O-N 3.13Å; P83-K85 VanDerWaalsContact O-N 3.08Å
86	F	96.3	Very high	75.2	Confident	126 Å²	126	107.4 Å²	107.4	55%	0.553	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.6	152.2	175.5	-65	-59	0	0	0	111.2	A84 L88 R202	A84-F86 PolarHBondContact O-N 2.83Å; F86-L88 VanDerWaalsContact C-N 3.35Å; F86-R202 CarbonylContact C-O 3.56Å; F86-R202 WeakPolarHBondContact CA-O 3.32Å
87	L	97	Very high	77.6	Confident	38 Å²	38	103.2 Å²	103.2	20%	0.199	60%	0.601	C	S	.	*	S	Bend	trans	-70.3	-32.6	-178.8	-66.8	176	0	0	0	112.1	F159 L184 R202 L203	L87-F159 HydrophobicContact CD1-CE2 4.4Å; L87-F159 HydrophobicContact CD1-CZ 4.28Å; L87-L184 HydrophobicContact CB-CD1 4.07Å; L87-L184 HydrophobicContact CB-CD2 4.12Å; L87-L184 HydrophobicContact CD1-CD1 4.2Å; L87-R202 HydrophobicContact CD1-CB 3.7Å; L87-R202 HydrophobicContact CG-CB 3.89Å; L87-R202 WeakPolarHBondContact CG-O 3.33Å; L87-R202 PolarHBondContact N-O 3.46Å; L87-L203 HydrophobicContact CD1-CD2 4.42Å
88	L	97.3	Very high	79.9	Confident	9 Å²	9	102.9 Å²	102.9	5%	0.047	58%	0.581	C	S	.	*	S	Bend	trans	-101.5	150.4	177.1	-54.1	175.8	0	0	0	110.7	F86 V157 A182 L184 L203 R205	F86-L88 VanDerWaalsContact C-N 3.35Å; L88-V157 HydrophobicContact CD1-CG2 3.83Å; L88-V157 HydrophobicContact CD2-CG1 4Å; L88-V157 HydrophobicContact CD2-CG2 4.03Å; L88-A182 HydrophobicContact CD2-CB 3.53Å; L88-L184 HydrophobicContact CD2-CD1 4.08Å; L88-L184 HydrophobicContact CD2-CD2 4.49Å; L88-L184 HydrophobicContact CD2-CG 4.41Å; L88-L203 VanDerWaalsContact CB-O 3.28Å; L88-L203 WeakPolarHBondContact CB-O 3.38Å; L88-L203 HydrophobicContact CD1-CB 4.05Å; L88-L203 HydrophobicContact CD1-CD2 4.13Å; L88-L203 HydrophobicContact CG-CB 4.42Å; L88-L203 HydrophobicContact CG-CD2 4.19Å; L88-L203 PolarHBondContact N-O 3.02Å; L88-R205 HydrophobicContact CD1-CG 4.15Å
89	P	95.2	Very high	82.4	Confident	95 Å²	95	98.5 Å²	98.5	62%	0.617	55%	0.55	S	S	*	*			trans	-67.9	-179.9	165.5	32.8	-36	0	0	0	111.2	R205	P89-R205 PolarHBondContact O-NH1 2.82Å; P89-R205 PolarHBondContact O-NH2 3.04Å
90	E	94.3	Very high	84.6	Confident	185 Å²	185	93.5 Å²	93.5	86%	0.864	52%	0.517	S	S	*	.	S	Bend	trans	-56.2	148.9	167.7	-66.4	-175.5	174.6	0	0	111
91	V	94.5	Very high	87	Confident	61 Å²	61	87.6 Å²	87.6	37%	0.37	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62	137.7	-178	-176.7	0	0	0	0	109.7	D95	V91-D95 HydrophobicContact CG1-CB 3.94Å
92	S	93.3	Very high	89.7	Confident	44 Å²	44	78.3 Å²	78.3	31%	0.308	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-66.8	158.1	176.6	92	0	0	0	0	111	A94 D95 Y96	S92-A94 PolarHBondContact O-N 3.3Å; S92-A94 PolarHBondContact OG-N 2.78Å; S92-D95 PolarHBondContact O-N 3.22Å; S92-D95 PolarHBondContact OG-N 2.85Å; S92-D95 VanDerWaalsContact OG-N 3.15Å; S92-D95 PolarHBondContact OG-OD2 3.01Å; S92-Y96 PolarHBondContact O-N 3.27Å
93	I	93	Very high	92.1	Very high	168 Å²	168	73.1 Å²	73.1	86%	0.862	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-61.8	-33.6	173.9	-61.8	174.1	0	0	0	110.8	D95 Y96	I93-D95 VanDerWaalsContact C-N 3.27Å; I93-D95 PolarHBondContact O-N 3.32Å; I93-Y96 PolarHBondContact O-N 3.16Å
94	A	91	Very high	94.1	Very high	75 Å²	75	67.6 Å²	67.6	62%	0.62	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-70	-24.5	-178.7	0	0	0	0	0	113.1	S92 K98	S92-A94 PolarHBondContact O-N 3.3Å; S92-A94 PolarHBondContact OG-N 2.78Å; A94-K98 WeakPolarHBondContact O-CE 3.39Å
95	D	94.1	Very high	95.7	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.011	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-106.7	4.5	-178.1	-57	-52.5	0	0	0	113.2	V91 S92 I93 G97 K98 E155 H181	V91-D95 HydrophobicContact CG1-CB 3.94Å; S92-D95 PolarHBondContact O-N 3.22Å; S92-D95 PolarHBondContact OG-N 2.85Å; S92-D95 VanDerWaalsContact OG-N 3.15Å; S92-D95 PolarHBondContact OG-OD2 3.01Å; I93-D95 VanDerWaalsContact C-N 3.27Å; I93-D95 PolarHBondContact O-N 3.32Å; D95-G97 PolarHBondContact O-N 3.03Å; D95-G97 VanDerWaalsContact O-N 3.14Å; D95-K98 HydrophobicContact CB-CD 4.3Å; D95-K98 WeakPolarHBondContact O-CB 3.44Å; D95-K98 PolarHBondContact O-N 2.88Å; D95-K98 IonicContact OD1-NZ 3.68Å; D95-K98 PolarHBondContact OD1-NZ 2.87Å; D95-E155 HydrophobicContact CB-CB 3.98Å; D95-E155 HydrophobicContact CB-CG 4.17Å; D95-H181 IonicContact OD2-CD2 3.51Å; D95-H181 PolarHBondContact OD2-CD2 3.01Å; D95-H181 IonicContact OD2-CE1 3.61Å; D95-H181 IonicContact OD2-CG 3.41Å; D95-H181 IonicContact OD2-NE2 2.84Å
96	Y	93.4	Very high	96.2	Very high	199 Å²	199	54.4 Å²	54.4	78%	0.78	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	122.1	-179.8	-169.9	-91.3	0	0	0	111	S92 I93 K98	S92-Y96 PolarHBondContact O-N 3.27Å; I93-Y96 PolarHBondContact O-N 3.16Å; Y96-K98 VanDerWaalsContact C-N 3.33Å
97	G	93.9	Very high	96.3	Very high	59 Å²	59	49.1 Å²	49.1	61%	0.608	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-10.4	-179.1	0	0	0	0	0	115	D95	D95-G97 PolarHBondContact O-N 3.03Å; D95-G97 VanDerWaalsContact O-N 3.14Å
98	K	97.5	Very high	96.4	Very high	60 Å²	60	47.3 Å²	47.3	26%	0.261	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-72.3	152.2	172.1	-61.5	-173.6	-171.9	167.1	0	110.9	A94 D95 Y96 G151	A94-K98 WeakPolarHBondContact O-CE 3.39Å; D95-K98 HydrophobicContact CB-CD 4.3Å; D95-K98 WeakPolarHBondContact O-CB 3.44Å; D95-K98 PolarHBondContact O-N 2.88Å; D95-K98 IonicContact OD1-NZ 3.68Å; D95-K98 PolarHBondContact OD1-NZ 2.87Å; Y96-K98 VanDerWaalsContact C-N 3.33Å; K98-G151 PolarHBondContact NZ-O 2.87Å
99	N	98.2	Very high	96.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-73.1	152.9	165.1	-69.9	-17.7	0	0	0	109.4	F154 E155 K209 L252 E255	N99-F154 HydrophobicContact CB-CD1 3.77Å; N99-F154 HydrophobicContact CB-CE1 3.89Å; N99-F154 WeakPolarHBondContact O-CA 3.47Å; N99-F154 WeakPolarHBondContact O-CB 3.44Å; N99-F154 WeakPolarHBondContact O-CD1 3.45Å; N99-E155 PolarHBondContact O-N 3.21Å; N99-K209 WeakPolarHBondContact CA-O 3.24Å; N99-K209 WeakPolarHBondContact CB-O 3.5Å; N99-K209 WeakPolarHBondContact OD1-CB 3.27Å; N99-K209 WeakPolarHBondContact OD1-CG 3.42Å; N99-L252 PolarHBondContact ND2-O 3.31Å; N99-L252 VanDerWaalsContact ND2-O 3.09Å; N99-E255 PolarHBondContact ND2-O 2.7Å
100	C	98.6	Very high	96.6	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.2	176.1	175.5	0	0	0	0	109.5	E155 R205 K209 V210 I211	C100-E155 WeakPolarHBondContact CA-O 3.36Å; C100-R205 HydrophobicContact CB-CG 4.12Å; C100-K209 PolarHBondContact N-O 3.25Å; C100-V210 HydrophobicContact CB-CG2 4.25Å; C100-V210 CarbonylContact O-C 3.55Å; C100-V210 WeakPolarHBondContact O-CA 3.4Å; C100-I211 PolarHBondContact O-N 3.15Å
101	V	98.8	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.8	172.6	69.4	0	0	0	0	110.1	I103 M150 F154 E155 C156 V157 I211 V213 F249	V101-I103 HydrophobicContact CG1-CD1 4.04Å; V101-I103 HydrophobicContact CG1-CG1 4.11Å; V101-I103 HydrophobicContact CG2-CG1 4.01Å; V101-M150 HydrophobicContact CB-CE 4.19Å; V101-M150 HydrophobicContact CG1-CE 3.8Å; V101-M150 HydrophobicContact CG2-CE 3.8Å; V101-F154 HydrophobicContact CB-CB 4.11Å; V101-F154 HydrophobicContact CB-CD1 4.31Å; V101-F154 HydrophobicContact CB-CG 4.13Å; V101-F154 HydrophobicContact CG1-CB 3.49Å; V101-F154 VanDerWaalsContact CG1-CB 3.49Å; V101-F154 HydrophobicContact CG1-CD2 4.32Å; V101-F154 HydrophobicContact CG1-CG 3.9Å; V101-E155 PolarHBondContact N-O 2.91Å; V101-C156 HydrophobicContact CG1-CB 4.11Å; V101-C156 WeakPolarHBondContact CG1-SG 3.29Å; V101-V157 PolarHBondContact O-N 2.97Å; V101-I211 CarbonylContact C-O 3.27Å; V101-I211 WeakPolarHBondContact CA-O 3.31Å; V101-I211 HydrophobicContact CG2-CB 4.27Å; V101-I211 HydrophobicContact CG2-CG2 4.42Å; V101-V213 HydrophobicContact CG2-CG2 3.91Å; V101-F249 HydrophobicContact CG2-CE1 4.17Å
102	V	98.9	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.3	172.1	176.6	0	0	0	0	107.8	V157 F159 L200 L203 V210 I211 I212 V213	V102-V157 WeakPolarHBondContact CA-O 3.47Å; V102-F159 HydrophobicContact CG1-CB 3.39Å; V102-F159 HydrophobicContact CG1-CD2 3.89Å; V102-F159 HydrophobicContact CG1-CG 4.14Å; V102-L200 HydrophobicContact CB-CD2 4.48Å; V102-L200 HydrophobicContact CG2-CD2 4.05Å; V102-L203 HydrophobicContact CG2-CD1 3.65Å; V102-V210 HydrophobicContact CG2-CG1 4.44Å; V102-I211 PolarHBondContact N-O 3.48Å; V102-I212 HydrophobicContact CB-CB 4.21Å; V102-I212 HydrophobicContact CB-CG1 4.2Å; V102-I212 HydrophobicContact CG1-CD1 4.07Å; V102-I212 HydrophobicContact CG1-CG1 4.11Å; V102-I212 CarbonylContact O-C 3.57Å; V102-I212 WeakPolarHBondContact O-CA 3.19Å; V102-V213 PolarHBondContact O-N 3.41Å
103	I	98.9	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.2	-177.2	-48.6	-179.2	0	0	0	108.5	V101 L109 F146 L147 M150 V157 F159 F180	V101-I103 HydrophobicContact CG1-CD1 4.04Å; V101-I103 HydrophobicContact CG1-CG1 4.11Å; V101-I103 HydrophobicContact CG2-CG1 4.01Å; I103-L109 HydrophobicContact CG2-CD1 3.83Å; I103-L109 HydrophobicContact CG2-CD2 3.94Å; I103-L109 HydrophobicContact CG2-CG 4.06Å; I103-F146 HydrophobicContact CD1-CE1 4.28Å; I103-F146 HydrophobicContact CG2-CE1 4.49Å; I103-L147 HydrophobicContact CD1-CD2 4.5Å; I103-M150 HydrophobicContact CD1-CB 4.38Å; I103-M150 HydrophobicContact CD1-CE 4.41Å; I103-M150 HydrophobicContact CD1-CG 4.46Å; I103-V157 PolarHBondContact N-O 3.31Å; I103-F159 PolarHBondContact O-N 2.73Å; I103-F180 HydrophobicContact CB-CE1 4.12Å; I103-F180 HydrophobicContact CD1-CE1 4.11Å; I103-F180 HydrophobicContact CG1-CE1 4.45Å
104	D	98.9	Very high	96.9	Very high	9 Å²	9	25.1 Å²	25.1	5%	0.048	14%	0.14	C	C	.	.			trans	-74.6	164.6	172.4	-173.8	48.8	0	0	0	112.6	D106 T108 L109 K198 V213 D214 N215	D104-D106 VanDerWaalsContact OD2-O 3.08Å; D104-T108 HydrophobicContact CB-CG2 4.18Å; D104-T108 PolarHBondContact OD2-OG1 2.83Å; D104-L109 WeakPolarHBondContact O-CD1 3.3Å; D104-L109 WeakPolarHBondContact O-CG 3.37Å; D104-K198 VanDerWaalsContact CB-NZ 3.28Å; D104-K198 IonicContact OD1-NZ 2.79Å; D104-K198 PolarHBondContact OD1-NZ 3.24Å; D104-V213 WeakPolarHBondContact CB-O 3.42Å; D104-V213 PolarHBondContact N-O 3.28Å; D104-D214 HydrophobicContact CB-CB 4.1Å; D104-N215 PolarHBondContact OD2-OD1 3.31Å
105	L	98.8	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.			trans	-104.8	-69.3	-177.1	-173.3	60.8	0	0	0	112.7	T108 L109 V110 L158 Y166 A167 V170 L174	L105-T108 PolarHBondContact O-N 3.41Å; L105-L109 HydrophobicContact CD1-CD1 4.46Å; L105-L109 PolarHBondContact O-N 3.01Å; L105-V110 HydrophobicContact CD1-CG2 3.79Å; L105-V110 HydrophobicContact CG-CG2 3.86Å; L105-V110 PolarHBondContact O-N 3.32Å; L105-L158 HydrophobicContact CB-CD1 4.04Å; L105-L158 HydrophobicContact CD1-CD1 4.36Å; L105-Y166 HydrophobicContact CD2-CE1 4.01Å; L105-A167 HydrophobicContact CD2-CB 3.84Å; L105-V170 HydrophobicContact CD1-CG1 4.09Å; L105-V170 HydrophobicContact CD2-CB 4.46Å; L105-V170 HydrophobicContact CD2-CG1 4.26Å; L105-L174 HydrophobicContact CD1-CD2 4.29Å
106	D	98.2	Very high	97.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-75	132.1	-169.3	-64.3	-76.9	0	0	0	110.7	D104 T108 V110 S162 Y166	D104-D106 VanDerWaalsContact OD2-O 3.08Å; D106-T108 PolarHBondContact O-N 3.39Å; D106-V110 CarbonylContact C-O 3.59Å; D106-S162 WeakPolarHBondContact OD2-CB 3.42Å; D106-S162 PolarHBondContact OD2-OG 2.66Å; D106-Y166 WeakPolarHBondContact OD1-CE1 3.26Å; D106-Y166 PolarHBondContact OD1-OH 3.06Å
107	E	98.5	Very high	97.1	Very high	15 Å²	15	26.1 Å²	26.1	7%	0.07	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	3.1	-171.6	-68.4	76	-124.9	0	0	115.4	S5 V110 H111 N215 S232 W233 F234	S5-E107 WeakPolarHBondContact CB-OE1 3.38Å; S5-E107 WeakPolarHBondContact CB-OE2 3.49Å; S5-E107 PolarHBondContact OG-OE1 3.05Å; S5-E107 PolarHBondContact OG-OE2 3.3Å; E107-V110 WeakPolarHBondContact CA-O 3.48Å; E107-V110 PolarHBondContact N-O 2.99Å; E107-H111 IonicContact OE1-CE1 2.66Å; E107-H111 IonicContact OE1-CG 2.73Å; E107-H111 IonicContact OE1-ND1 3.99Å; E107-H111 PolarHBondContact OE1-ND1 3.14Å; E107-N215 WeakPolarHBondContact CB-ND2 3.11Å; E107-S232 WeakPolarHBondContact O-CA 3.29Å; E107-W233 WeakPolarHBondContact CA-O 3.12Å; E107-W233 WeakPolarHBondContact CG-O 3.38Å; E107-W233 PolarHBondContact O-N 3.21Å; E107-F234 HydrophobicContact CG-CD1 4.02Å; E107-F234 HydrophobicContact CG-CE1 3.48Å; E107-F234 VanDerWaalsContact CG-CE1 3.48Å; E107-F234 HydrophobicContact CG-CZ 3.88Å
108	T	98.8	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-57.6	173.6	-64.7	0	0	0	0	111.2	D104 L105 D106 R140 V213 N215 V230	D104-T108 HydrophobicContact CB-CG2 4.18Å; D104-T108 PolarHBondContact OD2-OG1 2.83Å; L105-T108 PolarHBondContact O-N 3.41Å; D106-T108 PolarHBondContact O-N 3.39Å; T108-R140 WeakPolarHBondContact O-CD 3.46Å; T108-R140 PolarHBondContact O-NH1 3.49Å; T108-V213 HydrophobicContact CG2-CG1 4.42Å; T108-N215 PolarHBondContact OG1-N 2.84Å; T108-N215 PolarHBondContact OG1-OD1 3.34Å; T108-V230 HydrophobicContact CG2-CG2 4.11Å
109	L	98.8	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-29.5	-179.9	-59.7	178.4	0	0	0	112.9	I103 D104 L105 R140 V143 F146 L147 L174 F180 L242	I103-L109 HydrophobicContact CG2-CD1 3.83Å; I103-L109 HydrophobicContact CG2-CD2 3.94Å; I103-L109 HydrophobicContact CG2-CG 4.06Å; D104-L109 WeakPolarHBondContact O-CD1 3.3Å; D104-L109 WeakPolarHBondContact O-CG 3.37Å; L105-L109 HydrophobicContact CD1-CD1 4.46Å; L105-L109 PolarHBondContact O-N 3.01Å; L109-R140 WeakPolarHBondContact O-CB 3.34Å; L109-R140 PolarHBondContact O-N 3.37Å; L109-V143 HydrophobicContact CB-CG2 3.91Å; L109-V143 HydrophobicContact CD2-CG2 3.94Å; L109-V143 HydrophobicContact CG-CG2 4.41Å; L109-F146 HydrophobicContact CD2-CD1 4.09Å; L109-F146 HydrophobicContact CD2-CE1 4.04Å; L109-L147 HydrophobicContact CD1-CD2 4.13Å; L109-L147 HydrophobicContact CD2-CD2 4.41Å; L109-L174 HydrophobicContact CB-CD2 4.11Å; L109-L174 HydrophobicContact CD1-CD2 4.12Å; L109-F180 HydrophobicContact CD1-CZ 3.97Å; L109-L242 HydrophobicContact CD2-CD1 4.21Å
110	V	98.6	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.9	-176.5	-61.6	0	0	0	0	110.3	L105 D106 E107 V137 L138 V170 L174	L105-V110 HydrophobicContact CD1-CG2 3.79Å; L105-V110 HydrophobicContact CG-CG2 3.86Å; L105-V110 PolarHBondContact O-N 3.32Å; D106-V110 CarbonylContact C-O 3.59Å; E107-V110 WeakPolarHBondContact CA-O 3.48Å; E107-V110 PolarHBondContact N-O 2.99Å; V110-V137 HydrophobicContact CB-CG1 3.75Å; V110-V137 HydrophobicContact CG1-CG1 4.06Å; V110-V137 HydrophobicContact CG2-CG1 4.11Å; V110-L138 CarbonylContact C-O 3.57Å; V110-L138 WeakPolarHBondContact CA-O 3.46Å; V110-L138 VanDerWaalsContact CB-O 3.29Å; V110-L138 WeakPolarHBondContact CB-O 3.5Å; V110-V170 HydrophobicContact CG1-CG1 4.44Å; V110-V170 HydrophobicContact CG2-CG1 4.22Å; V110-L174 HydrophobicContact CG1-CD1 4.12Å; V110-L174 HydrophobicContact CG1-CD2 3.96Å
111	H	97.9	Very high	96.6	Very high	29 Å²	29	36.1 Å²	36.1	13%	0.134	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.5	166.1	177	57.3	0	0	0	109.8	E107 V137 L138 W233 F234	E107-H111 IonicContact OE1-CE1 2.66Å; E107-H111 IonicContact OE1-CG 2.73Å; E107-H111 IonicContact OE1-ND1 3.99Å; E107-H111 PolarHBondContact OE1-ND1 3.14Å; H111-V137 CarbonylContact O-C 3.55Å; H111-V137 WeakPolarHBondContact O-CA 3.47Å; H111-L138 PolarHBondContact N-O 3Å; H111-L138 PolarHBondContact O-N 3.5Å; H111-W233 HydrophobicContact CB-CE3 3.87Å; H111-W233 HydrophobicContact CB-CZ3 3.73Å; H111-F234 WeakPolarHBondContact CB-O 3.44Å; H111-F234 PolarHBondContact CD2-O 3.49Å; H111-F234 VanDerWaalsContact CD2-O 3.23Å; H111-F234 AromaticContact CE1-CD1 3.65Å; H111-F234 AromaticContact ND1-CD1 3.63Å
112	S	96.1	Very high	96.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.2	-174.2	-60.4	0	0	0	0	113.1	Y136 Y166	S112-Y136 CarbonylContact C-O 3.12Å; S112-Y136 WeakPolarHBondContact CA-O 3.5Å; S112-Y166 PolarHBondContact OG-OH 3.46Å
113	S	94.4	Very high	96.5	Very high	16 Å²	16	41.8 Å²	41.8	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.6	-178.7	-172.5	0	0	0	0	112.1	K115 Y136	S113-K115 VanDerWaalsContact C-N 3.27Å; S113-K115 WeakPolarHBondContact OG-CB 3.49Å; S113-K115 PolarHBondContact OG-N 3.22Å; S113-Y136 PolarHBondContact N-O 3.36Å; S113-Y136 PolarHBondContact O-N 2.91Å
114	F	92.9	Very high	96.3	Very high	50 Å²	50	42 Å²	42	22%	0.219	23%	0.231	C	C	.	.	S	Bend	trans	-78	-14.6	166.2	-68.6	-74.7	0	0	0	112.5	I6 I7 V10 I128 H133 V135	I6-F114 HydrophobicContact CB-CD2 3.72Å; I6-F114 HydrophobicContact CB-CE2 3.91Å; I6-F114 HydrophobicContact CD1-CD2 4.35Å; I6-F114 HydrophobicContact CG2-CD2 3.47Å; I6-F114 VanDerWaalsContact CG2-CD2 3.47Å; I6-F114 HydrophobicContact CG2-CE2 3.6Å; I7-F114 HydrophobicContact CG1-CE2 3.8Å; I7-F114 HydrophobicContact CG1-CZ 3.93Å; V10-F114 HydrophobicContact CG2-CZ 4.39Å; F114-I128 HydrophobicContact CE1-CD1 3.73Å; F114-I128 HydrophobicContact CZ-CD1 3.54Å; F114-H133 HydrophobicContact CD1-CB 3.92Å; F114-H133 HydrophobicContact CE1-CB 3.84Å; F114-V135 HydrophobicContact CD1-CG2 3.89Å; F114-V135 HydrophobicContact CE1-CG2 3.51Å; F114-V135 HydrophobicContact CZ-CG2 4.13Å
115	K	93.8	Very high	96.2	Very high	155 Å²	155	45.3 Å²	45.3	67%	0.674	25%	0.254	S	S	*	.	S	Bend	trans	-79	135	173.7	-65.8	179.6	-177.9	170.3	0	108.6	S113 I117 Y136	S113-K115 VanDerWaalsContact C-N 3.27Å; S113-K115 WeakPolarHBondContact OG-CB 3.49Å; S113-K115 PolarHBondContact OG-N 3.22Å; K115-I117 PolarHBondContact O-N 3.07Å; K115-Y136 WeakPolarHBondContact O-CD2 3.49Å
116	P	94.4	Very high	96	Very high	103 Å²	103	45.5 Å²	45.5	67%	0.669	26%	0.255	S	S	*	.			trans	-54.9	130.9	175.9	-27.1	34.9	0	0	0	113	Y136	P116-Y136 VanDerWaalsContact CA-CE2 3.49Å; P116-Y136 HydrophobicContact CB-CE1 4.13Å; P116-Y136 HydrophobicContact CB-CE2 4.05Å; P116-Y136 HydrophobicContact CG-CE2 3.99Å
117	I	93.8	Very high	95.7	Very high	39 Å²	39	51 Å²	51	20%	0.2	28%	0.28	C	S	.	.			trans	-117	122.5	172.9	-59.3	172.1	0	0	0	107.1	K115 N119 A120 L138	K115-I117 PolarHBondContact O-N 3.07Å; I117-N119 VanDerWaalsContact C-N 3.28Å; I117-N119 WeakPolarHBondContact CG2-OD1 3.36Å; I117-N119 PolarHBondContact O-N 2.87Å; I117-A120 HydrophobicContact CB-CB 4.28Å; I117-A120 PolarHBondContact O-N 3.19Å; I117-L138 HydrophobicContact CD1-CD1 4.02Å; I117-L138 HydrophobicContact CD1-CG 4.19Å; I117-L138 HydrophobicContact CG2-CD1 4.2Å; I117-L138 HydrophobicContact CG2-CD2 4.05Å; I117-L138 HydrophobicContact CG2-CG 4.25Å
118	S	91.2	Very high	95.2	Very high	130 Å²	130	51.3 Å²	51.3	91%	0.909	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.7	-172.5	46.5	0	0	0	0	114.1
119	N	92.6	Very high	94.8	Very high	101 Å²	101	58.3 Å²	58.3	54%	0.54	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	30.6	-177.7	63.7	-52.4	0	0	0	111.9	I117 L138	I117-N119 VanDerWaalsContact C-N 3.28Å; I117-N119 WeakPolarHBondContact CG2-OD1 3.36Å; I117-N119 PolarHBondContact O-N 2.87Å; N119-L138 WeakPolarHBondContact O-CD2 3.29Å
120	A	96.8	Very high	94.5	Very high	26 Å²	26	61.1 Å²	61.1	22%	0.215	35%	0.349	C	S	.	.			trans	-59.7	137.8	174.4	0	0	0	0	0	110.8	I117 I123 Y136	I117-A120 HydrophobicContact CB-CB 4.28Å; I117-A120 PolarHBondContact O-N 3.19Å; A120-I123 HydrophobicContact CB-CG1 4.44Å; A120-Y136 HydrophobicContact CB-CD1 4.09Å
121	D	98.2	Very high	94.2	Very high	81 Å²	81	64.9 Å²	64.9	43%	0.433	37%	0.372	S	S	.	.	S	Bend	trans	-71.9	-41.4	173.7	-65.4	-82.3	0	0	0	110.6	V137 L138 K139	D121-V137 PolarHBondContact N-O 3.19Å; D121-L138 WeakPolarHBondContact OD2-CA 3.34Å; D121-K139 HydrophobicContact CB-CB 4.46Å; D121-K139 HydrophobicContact CB-CD 3.87Å; D121-K139 HydrophobicContact CB-CG 3.76Å; D121-K139 PolarHBondContact OD2-N 3.22Å
122	F	96.8	Very high	94.1	Very high	31 Å²	31	67.7 Å²	67.7	14%	0.136	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.7	177.9	-41.4	-48.9	0	0	0	111.7	V137 K139 L173 L174	F122-V137 HydrophobicContact CB-CB 4.08Å; F122-V137 HydrophobicContact CB-CG2 4.44Å; F122-V137 HydrophobicContact CD2-CB 4.14Å; F122-V137 HydrophobicContact CD2-CG1 4.07Å; F122-V137 PolarHBondContact N-O 2.93Å; F122-V137 VanDerWaalsContact N-O 3.17Å; F122-V137 PolarHBondContact O-N 3.27Å; F122-K139 HydrophobicContact CE1-CD 4.32Å; F122-K139 HydrophobicContact CE2-CD 4.16Å; F122-K139 HydrophobicContact CE2-CG 3.97Å; F122-K139 HydrophobicContact CZ-CD 3.69Å; F122-K139 HydrophobicContact CZ-CG 4.02Å; F122-L173 HydrophobicContact CB-CD1 3.88Å; F122-L173 HydrophobicContact CD1-CB 4.01Å; F122-L173 HydrophobicContact CD1-CD1 4.07Å; F122-L173 HydrophobicContact CD2-CB 4.12Å; F122-L173 HydrophobicContact CD2-CD1 4.39Å; F122-L173 HydrophobicContact CE1-CB 3.9Å; F122-L173 HydrophobicContact CE2-CB 3.98Å; F122-L173 HydrophobicContact CG-CB 4.14Å; F122-L173 HydrophobicContact CG-CD1 3.87Å; F122-L173 HydrophobicContact CZ-CB 3.86Å; F122-L174 HydrophobicContact CE2-CB 4.33Å; F122-L174 HydrophobicContact CE2-CD1 4.21Å; F122-L174 HydrophobicContact CZ-CD1 4.46Å
123	I	97.4	Very high	93.9	Very high	87 Å²	87	71.3 Å²	71.3	45%	0.446	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.2	167	-54.7	176.3	0	0	0	107.6	A120 Q134 V135 Y136	A120-I123 HydrophobicContact CB-CG1 4.44Å; I123-Q134 HydrophobicContact CG2-CB 4.04Å; I123-Q134 HydrophobicContact CG2-CG 4.45Å; I123-V135 CarbonylContact C-O 3.56Å; I123-V135 VanDerWaalsContact CA-O 3.32Å; I123-V135 WeakPolarHBondContact CA-O 3.47Å; I123-Y136 HydrophobicContact CD1-CD1 4.05Å; I123-Y136 HydrophobicContact CD1-CE1 3.8Å; I123-Y136 HydrophobicContact CG1-CD1 3.92Å; I123-Y136 HydrophobicContact CG1-CE1 4.13Å; I123-Y136 HydrophobicContact CG2-CE1 4.41Å
124	V	96.6	Very high	94	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.024	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.3	-176.5	177.2	0	0	0	0	109.6	V126 V135 V137 P169 V170 L173	V124-V126 HydrophobicContact CG1-CG2 3.94Å; V124-V126 PolarHBondContact O-N 3.03Å; V124-V135 PolarHBondContact N-O 2.75Å; V124-V135 WeakPolarHBondContact O-CB 3.49Å; V124-V135 PolarHBondContact O-N 2.76Å; V124-V137 HydrophobicContact CG2-CG2 4.41Å; V124-P169 HydrophobicContact CG1-CB 3.59Å; V124-P169 HydrophobicContact CG1-CG 4.07Å; V124-P169 HydrophobicContact CG2-CB 4.31Å; V124-V170 HydrophobicContact CG2-CG2 3.88Å; V124-L173 HydrophobicContact CG2-CD1 4.2Å
125	P	96	Very high	94.2	Very high	80 Å²	80	72.3 Å²	72.3	52%	0.519	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.6	170.9	29.2	-31.2	0	0	0	109.9	V132	P125-V132 HydrophobicContact CB-CG1 3.67Å
126	V	94.1	Very high	94.4	Very high	4 Å²	4	67 Å²	67	2%	0.024	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.4	178.3	-176.5	0	0	0	0	109.6	V124 I128 H133 V135 K165 Y166	V124-V126 HydrophobicContact CG1-CG2 3.94Å; V124-V126 PolarHBondContact O-N 3.03Å; V126-I128 HydrophobicContact CG1-CG1 4.15Å; V126-H133 PolarHBondContact N-O 3.01Å; V126-H133 PolarHBondContact O-N 3.05Å; V126-V135 HydrophobicContact CB-CG2 4.17Å; V126-V135 HydrophobicContact CG2-CB 4.33Å; V126-V135 HydrophobicContact CG2-CG2 3.65Å; V126-K165 HydrophobicContact CG1-CD 3.98Å; V126-K165 HydrophobicContact CG1-CG 4Å; V126-Y166 HydrophobicContact CG2-CD2 4.25Å
127	E	91.8	Very high	94.6	Very high	119 Å²	119	62 Å²	62	56%	0.556	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.5	174.4	-167.2	-178.1	141.8	0	0	110.9	T131 K165	E127-T131 WeakPolarHBondContact CA-O 3.33Å; E127-K165 WeakPolarHBondContact O-CD 3.41Å; E127-K165 WeakPolarHBondContact O-CE 3.13Å; E127-K165 PolarHBondContact O-NZ 2.82Å
128	I	89.3	Confident	94.8	Very high	21 Å²	21	60.6 Å²	60.6	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.9	175.3	-53.2	174.7	0	0	0	106.4	V10 F114 V126 G130 T131	V10-I128 HydrophobicContact CG1-CD1 4.38Å; V10-I128 HydrophobicContact CG1-CG2 4.07Å; V10-I128 HydrophobicContact CG2-CD1 4.05Å; F114-I128 HydrophobicContact CE1-CD1 3.73Å; F114-I128 HydrophobicContact CZ-CD1 3.54Å; V126-I128 HydrophobicContact CG1-CG1 4.15Å; I128-G130 VanDerWaalsContact C-N 3.25Å; I128-G130 PolarHBondContact O-N 2.85Å; I128-T131 PolarHBondContact N-O 2.9Å; I128-T131 PolarHBondContact O-N 3.09Å; I128-T131 VanDerWaalsContact O-O 3.08Å
129	D	90	Very high	95.2	Very high	147 Å²	147	55.6 Å²	55.6	79%	0.786	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	42.6	179.6	-51.6	-32.1	0	0	0	113.9	T131	D129-T131 PolarHBondContact O-N 2.87Å
130	G	91.3	Very high	95.5	Very high	59 Å²	59	50.8 Å²	50.8	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	2.4	-179.6	0	0	0	0	0	114.9	I128	I128-G130 VanDerWaalsContact C-N 3.25Å; I128-G130 PolarHBondContact O-N 2.85Å
131	T	93.3	Very high	95.6	Very high	79 Å²	79	50.3 Å²	50.3	49%	0.485	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.2	176.5	-56.8	0	0	0	0	110.2	E127 I128 D129 H133	E127-T131 WeakPolarHBondContact CA-O 3.33Å; I128-T131 PolarHBondContact N-O 2.9Å; I128-T131 PolarHBondContact O-N 3.09Å; I128-T131 VanDerWaalsContact O-O 3.08Å; D129-T131 PolarHBondContact O-N 2.87Å; T131-H133 PolarHBondContact O-CD2 2.81Å; T131-H133 VanDerWaalsContact O-CD2 3.25Å
132	V	95	Very high	95.6	Very high	88 Å²	88	49.9 Å²	49.9	53%	0.533	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	174.9	179.9	0	0	0	0	109.4	P125	P125-V132 HydrophobicContact CB-CG1 3.67Å
133	H	93.6	Very high	95.7	Very high	77 Å²	77	48.5 Å²	48.5	36%	0.356	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.9	174.1	-65.1	-89.1	0	0	0	110	F114 V126 T131	F114-H133 HydrophobicContact CD1-CB 3.92Å; F114-H133 HydrophobicContact CE1-CB 3.84Å; V126-H133 PolarHBondContact N-O 3.01Å; V126-H133 PolarHBondContact O-N 3.05Å; T131-H133 PolarHBondContact O-CD2 2.81Å; T131-H133 VanDerWaalsContact O-CD2 3.25Å
134	Q	96.1	Very high	95.8	Very high	87 Å²	87	46.9 Å²	46.9	41%	0.407	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.7	173.7	-60	-62.1	88.8	0	0	109.5	I123 Y136	I123-Q134 HydrophobicContact CG2-CB 4.04Å; I123-Q134 HydrophobicContact CG2-CG 4.45Å; Q134-Y136 HydrophobicContact CB-CE2 3.91Å
135	V	97.1	Very high	95.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.5	171.8	176	0	0	0	0	108.7	I7 F114 I123 V124 V126 V137 Y166	I7-V135 HydrophobicContact CD1-CB 4.33Å; I7-V135 HydrophobicContact CD1-CG1 3.47Å; I7-V135 VanDerWaalsContact CD1-CG1 3.47Å; I7-V135 HydrophobicContact CD1-CG2 3.9Å; F114-V135 HydrophobicContact CD1-CG2 3.89Å; F114-V135 HydrophobicContact CE1-CG2 3.51Å; F114-V135 HydrophobicContact CZ-CG2 4.13Å; I123-V135 CarbonylContact C-O 3.56Å; I123-V135 VanDerWaalsContact CA-O 3.32Å; I123-V135 WeakPolarHBondContact CA-O 3.47Å; V124-V135 PolarHBondContact N-O 2.75Å; V124-V135 WeakPolarHBondContact O-CB 3.49Å; V124-V135 PolarHBondContact O-N 2.76Å; V126-V135 HydrophobicContact CB-CG2 4.17Å; V126-V135 HydrophobicContact CG2-CB 4.33Å; V126-V135 HydrophobicContact CG2-CG2 3.65Å; V135-V137 HydrophobicContact CG1-CG2 4.04Å; V135-Y166 HydrophobicContact CG1-CD2 4.08Å; V135-Y166 HydrophobicContact CG1-CE2 3.77Å
136	Y	97.8	Very high	96	Very high	43 Å²	43	47.6 Å²	47.6	17%	0.169	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.6	178.3	-61	-98.1	0	0	0	108.4	S112 S113 K115 P116 A120 I123 Q134	S112-Y136 CarbonylContact C-O 3.12Å; S112-Y136 WeakPolarHBondContact CA-O 3.5Å; S113-Y136 PolarHBondContact N-O 3.36Å; S113-Y136 PolarHBondContact O-N 2.91Å; K115-Y136 WeakPolarHBondContact O-CD2 3.49Å; P116-Y136 VanDerWaalsContact CA-CE2 3.49Å; P116-Y136 HydrophobicContact CB-CE1 4.13Å; P116-Y136 HydrophobicContact CB-CE2 4.05Å; P116-Y136 HydrophobicContact CG-CE2 3.99Å; A120-Y136 HydrophobicContact CB-CD1 4.09Å; I123-Y136 HydrophobicContact CD1-CD1 4.05Å; I123-Y136 HydrophobicContact CD1-CE1 3.8Å; I123-Y136 HydrophobicContact CG1-CD1 3.92Å; I123-Y136 HydrophobicContact CG1-CE1 4.13Å; I123-Y136 HydrophobicContact CG2-CE1 4.41Å; Q134-Y136 HydrophobicContact CB-CE2 3.91Å
137	V	98.4	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	-173.7	-171.4	0	0	0	0	109.2	V110 H111 D121 F122 V124 V135 Y166 V170	V110-V137 HydrophobicContact CB-CG1 3.75Å; V110-V137 HydrophobicContact CG1-CG1 4.06Å; V110-V137 HydrophobicContact CG2-CG1 4.11Å; H111-V137 CarbonylContact O-C 3.55Å; H111-V137 WeakPolarHBondContact O-CA 3.47Å; D121-V137 PolarHBondContact N-O 3.19Å; F122-V137 HydrophobicContact CB-CB 4.08Å; F122-V137 HydrophobicContact CB-CG2 4.44Å; F122-V137 HydrophobicContact CD2-CB 4.14Å; F122-V137 HydrophobicContact CD2-CG1 4.07Å; F122-V137 PolarHBondContact N-O 2.93Å; F122-V137 VanDerWaalsContact N-O 3.17Å; F122-V137 PolarHBondContact O-N 3.27Å; V124-V137 HydrophobicContact CG2-CG2 4.41Å; V135-V137 HydrophobicContact CG1-CG2 4.04Å; V137-Y166 HydrophobicContact CG2-CE2 4.34Å; V137-V170 HydrophobicContact CG1-CG1 4.32Å; V137-V170 HydrophobicContact CG2-CG2 3.98Å
138	L	98.5	Very high	96.6	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.3	169.3	-68.1	170.1	0	0	0	109.5	V110 H111 I117 N119 D121 W233 D235	V110-L138 CarbonylContact C-O 3.57Å; V110-L138 WeakPolarHBondContact CA-O 3.46Å; V110-L138 VanDerWaalsContact CB-O 3.29Å; V110-L138 WeakPolarHBondContact CB-O 3.5Å; H111-L138 PolarHBondContact N-O 3Å; H111-L138 PolarHBondContact O-N 3.5Å; I117-L138 HydrophobicContact CD1-CD1 4.02Å; I117-L138 HydrophobicContact CD1-CG 4.19Å; I117-L138 HydrophobicContact CG2-CD1 4.2Å; I117-L138 HydrophobicContact CG2-CD2 4.05Å; I117-L138 HydrophobicContact CG2-CG 4.25Å; N119-L138 WeakPolarHBondContact O-CD2 3.29Å; D121-L138 WeakPolarHBondContact OD2-CA 3.34Å; L138-W233 HydrophobicContact CB-CH2 3.71Å; L138-W233 HydrophobicContact CB-CZ3 3.98Å; L138-D235 HydrophobicContact CD1-CB 4.24Å
139	K	98.7	Very high	97	Very high	25 Å²	25	47.1 Å²	47.1	11%	0.109	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.3	172.7	-69.1	175.4	69.7	174	0	109.8	D121 F122 V143 D144 L174 W233	D121-K139 HydrophobicContact CB-CB 4.46Å; D121-K139 HydrophobicContact CB-CD 3.87Å; D121-K139 HydrophobicContact CB-CG 3.76Å; D121-K139 PolarHBondContact OD2-N 3.22Å; F122-K139 HydrophobicContact CE1-CD 4.32Å; F122-K139 HydrophobicContact CE2-CD 4.16Å; F122-K139 HydrophobicContact CE2-CG 3.97Å; F122-K139 HydrophobicContact CZ-CD 3.69Å; F122-K139 HydrophobicContact CZ-CG 4.02Å; K139-V143 HydrophobicContact CB-CG1 3.95Å; K139-V143 VanDerWaalsContact CE-CG1 3.43Å; K139-V143 HydrophobicContact CG-CG1 4.37Å; K139-D144 WeakPolarHBondContact CE-OD1 3.14Å; K139-D144 IonicContact NZ-OD1 3.98Å; K139-D144 PolarHBondContact NZ-OD1 2.84Å; K139-D144 IonicContact NZ-OD2 2.63Å; K139-D144 PolarHBondContact NZ-OD2 3.43Å; K139-L174 HydrophobicContact CD-CD1 4.31Å; K139-L174 HydrophobicContact CG-CD1 4.06Å; K139-W233 VanDerWaalsContact C-CH2 3.42Å; K139-W233 WeakPolarHBondContact O-CH2 3.44Å
140	R	98.8	Very high	97.4	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.1	138.2	168.8	-172.5	169	-173.8	163.8	14.7	109.3	T108 L109 H142 V143 Q231 W233 D239 E241 L242	T108-R140 WeakPolarHBondContact O-CD 3.46Å; T108-R140 PolarHBondContact O-NH1 3.49Å; L109-R140 WeakPolarHBondContact O-CB 3.34Å; L109-R140 PolarHBondContact O-N 3.37Å; R140-H142 PolarHBondContact O-N 3.37Å; R140-V143 VanDerWaalsContact O-CB 3.29Å; R140-V143 WeakPolarHBondContact O-CB 3.49Å; R140-V143 VanDerWaalsContact O-CG1 3.27Å; R140-V143 WeakPolarHBondContact O-CG1 3.29Å; R140-V143 PolarHBondContact O-N 3.16Å; R140-Q231 PolarHBondContact NH1-O 3.05Å; R140-Q231 PolarHBondContact NH2-O 3.47Å; R140-W233 HydrophobicContact CB-CD2 3.8Å; R140-W233 HydrophobicContact CB-CE3 3.76Å; R140-W233 HydrophobicContact CB-CG 4.24Å; R140-W233 HydrophobicContact CB-CZ3 4.13Å; R140-W233 HydrophobicContact CG-CB 4.14Å; R140-W233 HydrophobicContact CG-CD2 3.67Å; R140-W233 HydrophobicContact CG-CE3 4.16Å; R140-W233 HydrophobicContact CG-CG 3.63Å; R140-D239 IonicContact CZ-OD1 3.81Å; R140-D239 IonicContact CZ-OD2 3.41Å; R140-D239 IonicContact NE-OD1 2.62Å; R140-D239 PolarHBondContact NE-OD1 3.12Å; R140-D239 IonicContact NE-OD2 3.27Å; R140-D239 IonicContact NH2-OD1 2.9Å; R140-D239 PolarHBondContact NH2-OD1 2.84Å; R140-D239 IonicContact NH2-OD2 3.58Å; R140-D239 PolarHBondContact NH2-OD2 3.41Å; R140-E241 IonicContact CZ-OE2 2.88Å; R140-E241 IonicContact NH1-OE2 2.66Å; R140-E241 IonicContact NH2-OE2 2.74Å; R140-E241 PolarHBondContact NH2-OE2 3.44Å; R140-L242 HydrophobicContact CB-CD1 4.05Å; R140-L242 HydrophobicContact CG-CD1 3.93Å; R140-L242 HydrophobicContact CG-CG 4.24Å
141	P	98.8	Very high	97.7	Very high	15 Å²	15	38.1 Å²	38.1	10%	0.097	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	143.2	173.9	-29.5	35.9	0	0	0	112	V143 M237 D239	P141-V143 PolarHBondContact O-N 3.12Å; P141-V143 VanDerWaalsContact O-N 3.13Å; P141-M237 HydrophobicContact CG-CE 4.14Å; P141-M237 HydrophobicContact CG-SD 4.42Å; P141-D239 VanDerWaalsContact CB-O 3.25Å; P141-D239 WeakPolarHBondContact CB-O 3.33Å; P141-D239 HydrophobicContact CG-CB 4.22Å
142	H	98.8	Very high	97.9	Very high	72 Å²	72	39.7 Å²	39.7	33%	0.333	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	6.8	179.1	-49.8	-79.6	0	0	0	116.5	R140 D144 E145 F146 L243	R140-H142 PolarHBondContact O-N 3.37Å; H142-D144 VanDerWaalsContact C-N 3.26Å; H142-D144 PolarHBondContact O-N 3.15Å; H142-E145 IonicContact ND1-OE2 2.76Å; H142-E145 PolarHBondContact O-N 3.49Å; H142-F146 WeakPolarHBondContact O-CB 3.31Å; H142-F146 PolarHBondContact O-N 3.09Å; H142-L243 HydrophobicContact CB-CB 3.89Å
143	V	98.8	Very high	98.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-35.9	-179.7	69.3	0	0	0	0	113.7	L109 K139 R140 P141 L147 L174 L242	L109-V143 HydrophobicContact CB-CG2 3.91Å; L109-V143 HydrophobicContact CD2-CG2 3.94Å; L109-V143 HydrophobicContact CG-CG2 4.41Å; K139-V143 HydrophobicContact CB-CG1 3.95Å; K139-V143 VanDerWaalsContact CE-CG1 3.43Å; K139-V143 HydrophobicContact CG-CG1 4.37Å; R140-V143 VanDerWaalsContact O-CB 3.29Å; R140-V143 WeakPolarHBondContact O-CB 3.49Å; R140-V143 VanDerWaalsContact O-CG1 3.27Å; R140-V143 WeakPolarHBondContact O-CG1 3.29Å; R140-V143 PolarHBondContact O-N 3.16Å; P141-V143 PolarHBondContact O-N 3.12Å; P141-V143 VanDerWaalsContact O-N 3.13Å; V143-L147 HydrophobicContact CG2-CD1 4.06Å; V143-L147 HydrophobicContact CG2-CG 4.2Å; V143-L147 WeakPolarHBondContact O-CB 3.23Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.41Å; V143-L147 PolarHBondContact O-N 3.16Å; V143-L174 HydrophobicContact CG1-CD1 3.9Å; V143-L174 HydrophobicContact CG2-CD1 4.08Å; V143-L174 HydrophobicContact CG2-CD2 4.28Å; V143-L174 HydrophobicContact CG2-CG 4.48Å; V143-L242 HydrophobicContact CB-CD1 3.87Å; V143-L242 HydrophobicContact CG2-CD1 4.09Å
144	D	98.7	Very high	98.3	Very high	53 Å²	53	33.6 Å²	33.6	28%	0.283	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-50.9	178.8	-73.9	-24.2	0	0	0	111.9	K139 H142 F146 L147 Q148 W177	K139-D144 WeakPolarHBondContact CE-OD1 3.14Å; K139-D144 IonicContact NZ-OD1 3.98Å; K139-D144 PolarHBondContact NZ-OD1 2.84Å; K139-D144 IonicContact NZ-OD2 2.63Å; K139-D144 PolarHBondContact NZ-OD2 3.43Å; H142-D144 VanDerWaalsContact C-N 3.26Å; H142-D144 PolarHBondContact O-N 3.15Å; D144-F146 VanDerWaalsContact C-N 3.32Å; D144-F146 PolarHBondContact O-N 3.34Å; D144-L147 PolarHBondContact O-N 3.26Å; D144-Q148 WeakPolarHBondContact O-CB 3.28Å; D144-Q148 PolarHBondContact O-N 2.88Å; D144-W177 HydrophobicContact CB-CH2 3.73Å; D144-W177 HydrophobicContact CB-CZ3 4.18Å; D144-W177 WeakPolarHBondContact O-CZ3 3.03Å
145	E	98.7	Very high	98.5	Very high	100 Å²	100	30 Å²	30	47%	0.467	15%	0.146	S	C	.	.	H	α-helix	trans	-62.8	-42.2	177.7	-177.4	176	-177.1	0	0	111	H142 K149 I246	H142-E145 IonicContact ND1-OE2 2.76Å; H142-E145 PolarHBondContact O-N 3.49Å; E145-K149 VanDerWaalsContact O-CB 3.3Å; E145-K149 WeakPolarHBondContact O-CB 3.2Å; E145-K149 PolarHBondContact O-N 3.35Å; E145-K149 VanDerWaalsContact O-N 3.07Å; E145-I246 HydrophobicContact CG-CD1 4.01Å
146	F	98.8	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-56.3	174.9	177.7	-100.2	0	0	0	111.3	I103 L109 H142 D144 Q148 K149 M150 L242 L245 I246 F249	I103-F146 HydrophobicContact CD1-CE1 4.28Å; I103-F146 HydrophobicContact CG2-CE1 4.49Å; L109-F146 HydrophobicContact CD2-CD1 4.09Å; L109-F146 HydrophobicContact CD2-CE1 4.04Å; H142-F146 WeakPolarHBondContact O-CB 3.31Å; H142-F146 PolarHBondContact O-N 3.09Å; D144-F146 VanDerWaalsContact C-N 3.32Å; D144-F146 PolarHBondContact O-N 3.34Å; F146-Q148 PolarHBondContact O-N 3.46Å; F146-K149 PolarHBondContact O-N 3.03Å; F146-K149 VanDerWaalsContact O-N 3.14Å; F146-M150 HydrophobicContact CD1-CG 4Å; F146-M150 HydrophobicContact CD2-CG 4.05Å; F146-M150 HydrophobicContact CD2-SD 4.44Å; F146-M150 HydrophobicContact CE1-CG 3.7Å; F146-M150 HydrophobicContact CE2-CG 3.75Å; F146-M150 HydrophobicContact CE2-SD 3.8Å; F146-M150 HydrophobicContact CG-CG 4.18Å; F146-M150 HydrophobicContact CZ-CE 4.24Å; F146-M150 HydrophobicContact CZ-CG 3.56Å; F146-M150 HydrophobicContact CZ-SD 3.9Å; F146-M150 WeakPolarHBondContact O-CB 3.41Å; F146-M150 WeakPolarHBondContact O-CG 3.29Å; F146-M150 PolarHBondContact O-N 3.23Å; F146-L242 HydrophobicContact CB-CB 4.03Å; F146-L242 HydrophobicContact CD1-CD2 4.34Å; F146-L242 HydrophobicContact CD2-CB 4.24Å; F146-L242 VanDerWaalsContact CD2-O 3.29Å; F146-L242 WeakPolarHBondContact CD2-O 3.42Å; F146-L242 HydrophobicContact CE1-CD2 4.39Å; F146-L242 HydrophobicContact CG-CB 4.1Å; F146-L242 HydrophobicContact CG-CD2 4.41Å; F146-L245 HydrophobicContact CE2-CB 4.4Å; F146-I246 HydrophobicContact CD2-CG1 4.06Å; F146-F249 AromaticContact CE2-CD2 3.89Å; F146-F249 HydrophobicContact CE2-CD2 3.89Å; F146-F249 AromaticContact CE2-CE2 3.96Å; F146-F249 HydrophobicContact CE2-CE2 3.96Å; F146-F249 HydrophobicContact CZ-CD2 4.42Å; F146-F249 HydrophobicContact CZ-CE2 4.17Å
147	L	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-44.8	-177.1	-74.2	-179.1	0	0	0	112.2	I103 L109 V143 D144 K149 M150 G151 L174 V179 F180	I103-L147 HydrophobicContact CD1-CD2 4.5Å; L109-L147 HydrophobicContact CD1-CD2 4.13Å; L109-L147 HydrophobicContact CD2-CD2 4.41Å; V143-L147 HydrophobicContact CG2-CD1 4.06Å; V143-L147 HydrophobicContact CG2-CG 4.2Å; V143-L147 WeakPolarHBondContact O-CB 3.23Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.41Å; V143-L147 PolarHBondContact O-N 3.16Å; D144-L147 PolarHBondContact O-N 3.26Å; L147-K149 VanDerWaalsContact C-N 3.27Å; L147-K149 PolarHBondContact O-N 2.95Å; L147-M150 PolarHBondContact O-N 2.93Å; L147-G151 PolarHBondContact O-N 2.77Å; L147-L174 HydrophobicContact CD1-CD2 3.91Å; L147-L174 HydrophobicContact CD1-CG 3.77Å; L147-V179 HydrophobicContact CB-CG2 4.27Å; L147-V179 HydrophobicContact CD2-CG1 4.5Å; L147-V179 WeakPolarHBondContact O-CG2 3.49Å; L147-F180 HydrophobicContact CD1-CE2 4.35Å; L147-F180 HydrophobicContact CD2-CE1 4.34Å; L147-F180 HydrophobicContact CD2-CE2 4.11Å; L147-F180 HydrophobicContact CD2-CZ 3.59Å
148	Q	98.6	Very high	98.6	Very high	80 Å²	80	28 Å²	28	37%	0.374	14%	0.138	S	C	.	.	H	α-helix	trans	-54.3	-48.2	175.7	-175.8	177.7	12.9	0	0	110.6	D144 F146 G151 E152 W177	D144-Q148 WeakPolarHBondContact O-CB 3.28Å; D144-Q148 PolarHBondContact O-N 2.88Å; F146-Q148 PolarHBondContact O-N 3.46Å; Q148-G151 PolarHBondContact O-N 3Å; Q148-E152 PolarHBondContact O-N 3.41Å; Q148-W177 HydrophobicContact CB-CD2 3.9Å; Q148-W177 HydrophobicContact CB-CE3 4.15Å; Q148-W177 HydrophobicContact CB-CG 4.36Å; Q148-W177 HydrophobicContact CB-CZ2 4.25Å; Q148-W177 HydrophobicContact CB-CZ3 4.46Å; Q148-W177 HydrophobicContact CG-CD2 4.13Å; Q148-W177 HydrophobicContact CG-CG 4.19Å
149	K	98.7	Very high	98.6	Very high	53 Å²	53	27.6 Å²	27.6	23%	0.23	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-39.2	-179	-170	57.9	170.7	-170.1	0	112.9	E145 F146 L147 E152 L153 I246 E250	E145-K149 VanDerWaalsContact O-CB 3.3Å; E145-K149 WeakPolarHBondContact O-CB 3.2Å; E145-K149 PolarHBondContact O-N 3.35Å; E145-K149 VanDerWaalsContact O-N 3.07Å; F146-K149 PolarHBondContact O-N 3.03Å; F146-K149 VanDerWaalsContact O-N 3.14Å; L147-K149 VanDerWaalsContact C-N 3.27Å; L147-K149 PolarHBondContact O-N 2.95Å; K149-E152 IonicContact NZ-OE2 2.7Å; K149-E152 PolarHBondContact O-N 2.88Å; K149-L153 HydrophobicContact CD-CD1 4.26Å; K149-L153 HydrophobicContact CG-CD1 3.99Å; K149-L153 VanDerWaalsContact O-CG 3.29Å; K149-L153 WeakPolarHBondContact O-CG 3.41Å; K149-L153 PolarHBondContact O-N 3.33Å; K149-I246 HydrophobicContact CB-CD1 4.48Å; K149-I246 HydrophobicContact CG-CG2 3.77Å; K149-E250 WeakPolarHBondContact CE-OE1 3.49Å; K149-E250 IonicContact NZ-OE1 3.92Å; K149-E250 PolarHBondContact NZ-OE1 3.08Å
150	M	98.6	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-41.4	177.6	-68	-54.9	-70.8	0	0	111.6	V101 I103 F146 L147 E152 L153 F154 C156 F249	V101-M150 HydrophobicContact CB-CE 4.19Å; V101-M150 HydrophobicContact CG1-CE 3.8Å; V101-M150 HydrophobicContact CG2-CE 3.8Å; I103-M150 HydrophobicContact CD1-CB 4.38Å; I103-M150 HydrophobicContact CD1-CE 4.41Å; I103-M150 HydrophobicContact CD1-CG 4.46Å; F146-M150 HydrophobicContact CD1-CG 4Å; F146-M150 HydrophobicContact CD2-CG 4.05Å; F146-M150 HydrophobicContact CD2-SD 4.44Å; F146-M150 HydrophobicContact CE1-CG 3.7Å; F146-M150 HydrophobicContact CE2-CG 3.75Å; F146-M150 HydrophobicContact CE2-SD 3.8Å; F146-M150 HydrophobicContact CG-CG 4.18Å; F146-M150 HydrophobicContact CZ-CE 4.24Å; F146-M150 HydrophobicContact CZ-CG 3.56Å; F146-M150 HydrophobicContact CZ-SD 3.9Å; F146-M150 WeakPolarHBondContact O-CB 3.41Å; F146-M150 WeakPolarHBondContact O-CG 3.29Å; F146-M150 PolarHBondContact O-N 3.23Å; L147-M150 PolarHBondContact O-N 2.93Å; M150-E152 VanDerWaalsContact C-N 3.29Å; M150-E152 PolarHBondContact O-N 2.88Å; M150-L153 PolarHBondContact O-N 3.31Å; M150-L153 VanDerWaalsContact O-N 3.11Å; M150-F154 HydrophobicContact CE-CD2 3.59Å; M150-F154 HydrophobicContact CE-CE2 3.79Å; M150-F154 HydrophobicContact CE-CG 4.42Å; M150-F154 PolarHBondContact O-N 2.88Å; M150-F154 HydrophobicContact SD-CD2 4.16Å; M150-F154 HydrophobicContact SD-CE2 4.14Å; M150-C156 PolarHBondContact O-SG 3.09Å; M150-C156 VanDerWaalsContact O-SG 3.33Å; M150-F249 HydrophobicContact CE-CB 4.28Å; M150-F249 HydrophobicContact CE-CD1 3.47Å; M150-F249 VanDerWaalsContact CE-CD1 3.47Å; M150-F249 HydrophobicContact CE-CD2 4.09Å; M150-F249 HydrophobicContact CE-CE1 3.77Å; M150-F249 HydrophobicContact CE-CE2 4.37Å; M150-F249 HydrophobicContact CE-CG 3.67Å; M150-F249 HydrophobicContact CE-CZ 4.25Å; M150-F249 HydrophobicContact SD-CB 3.67Å; M150-F249 HydrophobicContact SD-CD1 3.98Å; M150-F249 HydrophobicContact SD-CD2 3.78Å; M150-F249 HydrophobicContact SD-CE2 4.49Å; M150-F249 HydrophobicContact SD-CG 3.52Å; M150-F249 VanDerWaalsContact SD-CG 3.52Å
151	G	98.1	Very high	98.6	Very high	17 Å²	17	27 Å²	27	18%	0.175	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-30.5	177.5	0	0	0	0	0	114.3	K98 L147 Q148	K98-G151 PolarHBondContact NZ-O 2.87Å; L147-G151 PolarHBondContact O-N 2.77Å; Q148-G151 PolarHBondContact O-N 3Å
152	E	97.6	Very high	98.5	Very high	113 Å²	113	26.3 Å²	26.3	53%	0.528	13%	0.132	S	C	.	.	H	α-helix	trans	-67.9	-39.1	172.5	-67.7	173.4	-178.4	0	0	111.9	Q148 K149 M150	Q148-E152 PolarHBondContact O-N 3.41Å; K149-E152 IonicContact NZ-OE2 2.7Å; K149-E152 PolarHBondContact O-N 2.88Å; M150-E152 VanDerWaalsContact C-N 3.29Å; M150-E152 PolarHBondContact O-N 2.88Å
153	L	98.3	Very high	98.3	Very high	36 Å²	36	23.5 Å²	23.5	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-92.6	-31.8	-167.2	-64.6	171.1	0	0	0	114	K149 M150 E250	K149-L153 HydrophobicContact CD-CD1 4.26Å; K149-L153 HydrophobicContact CG-CD1 3.99Å; K149-L153 VanDerWaalsContact O-CG 3.29Å; K149-L153 WeakPolarHBondContact O-CG 3.41Å; K149-L153 PolarHBondContact O-N 3.33Å; M150-L153 PolarHBondContact O-N 3.31Å; M150-L153 VanDerWaalsContact O-N 3.11Å; L153-E250 HydrophobicContact CD1-CG 3.96Å
154	F	98.6	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-131.8	160.1	-167.7	-61.7	-85.2	0	0	0	113.1	N99 V101 M150 C156 I211 F249 L252	N99-F154 HydrophobicContact CB-CD1 3.77Å; N99-F154 HydrophobicContact CB-CE1 3.89Å; N99-F154 WeakPolarHBondContact O-CA 3.47Å; N99-F154 WeakPolarHBondContact O-CB 3.44Å; N99-F154 WeakPolarHBondContact O-CD1 3.45Å; V101-F154 HydrophobicContact CB-CB 4.11Å; V101-F154 HydrophobicContact CB-CD1 4.31Å; V101-F154 HydrophobicContact CB-CG 4.13Å; V101-F154 HydrophobicContact CG1-CB 3.49Å; V101-F154 VanDerWaalsContact CG1-CB 3.49Å; V101-F154 HydrophobicContact CG1-CD2 4.32Å; V101-F154 HydrophobicContact CG1-CG 3.9Å; M150-F154 HydrophobicContact CE-CD2 3.59Å; M150-F154 HydrophobicContact CE-CE2 3.79Å; M150-F154 HydrophobicContact CE-CG 4.42Å; M150-F154 PolarHBondContact O-N 2.88Å; M150-F154 HydrophobicContact SD-CD2 4.16Å; M150-F154 HydrophobicContact SD-CE2 4.14Å; F154-C156 PolarHBondContact O-N 3.1Å; F154-I211 HydrophobicContact CE1-CD1 3.92Å; F154-I211 HydrophobicContact CZ-CD1 4.44Å; F154-F249 HydrophobicContact CE2-CB 3.91Å; F154-F249 AromaticContact CE2-CD1 3.87Å; F154-F249 HydrophobicContact CE2-CD1 3.87Å; F154-F249 HydrophobicContact CE2-CG 4.29Å; F154-F249 HydrophobicContact CZ-CB 4.3Å; F154-F249 AromaticContact CZ-CD1 3.88Å; F154-F249 HydrophobicContact CZ-CD1 3.88Å; F154-F249 VanDerWaalsContact CZ-O 3.27Å; F154-F249 WeakPolarHBondContact CZ-O 3.49Å; F154-L252 HydrophobicContact CZ-CB 4.36Å
155	E	98.5	Very high	98.1	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.056	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	103.6	154.6	-176.8	-172.9	-164.2	0	0	107.6	D95 N99 C100 V101 R205	D95-E155 HydrophobicContact CB-CB 3.98Å; D95-E155 HydrophobicContact CB-CG 4.17Å; N99-E155 PolarHBondContact O-N 3.21Å; C100-E155 WeakPolarHBondContact CA-O 3.36Å; V101-E155 PolarHBondContact N-O 2.91Å; E155-R205 IonicContact OE1-CZ 2.79Å; E155-R205 IonicContact OE1-NE 3.57Å; E155-R205 PolarHBondContact OE1-NE 2.66Å; E155-R205 IonicContact OE1-NH2 2.84Å; E155-R205 PolarHBondContact OE1-NH2 3.46Å; E155-R205 IonicContact OE2-CZ 2.79Å; E155-R205 IonicContact OE2-NE 2.68Å; E155-R205 PolarHBondContact OE2-NE 3.04Å; E155-R205 IonicContact OE2-NH2 3.26Å
156	C	98.6	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.6	-176.9	-62.9	0	0	0	0	111.9	V101 M150 F154 V179 F180 H181	V101-C156 HydrophobicContact CG1-CB 4.11Å; V101-C156 WeakPolarHBondContact CG1-SG 3.29Å; M150-C156 PolarHBondContact O-SG 3.09Å; M150-C156 VanDerWaalsContact O-SG 3.33Å; F154-C156 PolarHBondContact O-N 3.1Å; C156-V179 HydrophobicContact CB-CG1 3.55Å; C156-V179 WeakPolarHBondContact CB-O 3.24Å; C156-F180 HydrophobicContact CB-CD1 4.18Å; C156-H181 PolarHBondContact O-N 2.86Å; C156-H181 VanDerWaalsContact O-N 3.16Å
157	V	98.8	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.3	177.5	178.8	0	0	0	0	108.9	L88 V101 V102 I103 F159 A182 L184	L88-V157 HydrophobicContact CD1-CG2 3.83Å; L88-V157 HydrophobicContact CD2-CG1 4Å; L88-V157 HydrophobicContact CD2-CG2 4.03Å; V101-V157 PolarHBondContact O-N 2.97Å; V102-V157 WeakPolarHBondContact CA-O 3.47Å; I103-V157 PolarHBondContact N-O 3.31Å; V157-F159 PolarHBondContact O-N 3.46Å; V157-A182 HydrophobicContact CG1-CB 4.34Å; V157-A182 HydrophobicContact CG2-CB 4.48Å; V157-L184 HydrophobicContact CG1-CD1 3.92Å; V157-L184 HydrophobicContact CG1-CG 4.13Å
158	L	98.9	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.4	167	177.3	65.3	0	0	0	107.6	L105 A171 F180 A182 R183 L184	L105-L158 HydrophobicContact CB-CD1 4.04Å; L105-L158 HydrophobicContact CD1-CD1 4.36Å; L158-A171 HydrophobicContact CD2-CB 3.68Å; L158-F180 HydrophobicContact CB-CB 4.28Å; L158-F180 HydrophobicContact CB-CD1 3.7Å; L158-F180 HydrophobicContact CB-CD2 4.22Å; L158-F180 HydrophobicContact CB-CE1 4Å; L158-F180 HydrophobicContact CB-CE2 4.49Å; L158-F180 HydrophobicContact CB-CG 3.82Å; L158-F180 HydrophobicContact CB-CZ 4.37Å; L158-F180 HydrophobicContact CD1-CE2 4.48Å; L158-F180 HydrophobicContact CD1-CZ 4.25Å; L158-F180 VanDerWaalsContact N-CD1 3.34Å; L158-A182 PolarHBondContact N-O 3.27Å; L158-R183 HydrophobicContact CB-CB 4.39Å; L158-R183 HydrophobicContact CB-CG 4.15Å; L158-R183 HydrophobicContact CD2-CB 4.3Å; L158-R183 HydrophobicContact CD2-CG 4.03Å; L158-R183 CarbonylContact O-C 3.59Å; L158-R183 WeakPolarHBondContact O-CA 3.39Å; L158-L184 PolarHBondContact O-N 3.18Å
159	F	98.8	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	112.9	172.5	-163.1	-2	0	0	0	108.5	L87 V102 I103 V157 L184 C189 K198	L87-F159 HydrophobicContact CD1-CE2 4.4Å; L87-F159 HydrophobicContact CD1-CZ 4.28Å; V102-F159 HydrophobicContact CG1-CB 3.39Å; V102-F159 HydrophobicContact CG1-CD2 3.89Å; V102-F159 HydrophobicContact CG1-CG 4.14Å; I103-F159 PolarHBondContact O-N 2.73Å; V157-F159 PolarHBondContact O-N 3.46Å; F159-L184 CarbonylContact C-O 3.6Å; F159-L184 VanDerWaalsContact CA-O 3.29Å; F159-L184 WeakPolarHBondContact CA-O 3.44Å; F159-L184 HydrophobicContact CB-CB 4.15Å; F159-L184 HydrophobicContact CD1-CB 3.34Å; F159-L184 HydrophobicContact CD1-CD1 4.36Å; F159-L184 HydrophobicContact CD1-CG 4.49Å; F159-L184 WeakPolarHBondContact CD1-O 3.33Å; F159-L184 HydrophobicContact CD2-CB 4.4Å; F159-L184 HydrophobicContact CD2-CD1 3.97Å; F159-L184 HydrophobicContact CE1-CB 3.73Å; F159-L184 HydrophobicContact CE2-CD1 4.14Å; F159-L184 HydrophobicContact CG-CB 3.72Å; F159-L184 HydrophobicContact CG-CD1 4.08Å; F159-L184 HydrophobicContact CZ-CB 4.4Å; F159-L184 HydrophobicContact CZ-CD1 4.4Å; F159-C189 VanDerWaalsContact CE1-SG 3.58Å; F159-K198 HydrophobicContact CB-CD 4.22Å; F159-K198 HydrophobicContact CD1-CD 4.39Å; F159-K198 HydrophobicContact CD1-CG 4.2Å; F159-K198 HydrophobicContact CD2-CB 3.77Å; F159-K198 HydrophobicContact CD2-CD 4.03Å; F159-K198 HydrophobicContact CD2-CG 3.84Å; F159-K198 HydrophobicContact CE1-CG 4.22Å; F159-K198 HydrophobicContact CE2-CB 3.59Å; F159-K198 HydrophobicContact CE2-CG 3.86Å; F159-K198 HydrophobicContact CG-CB 4.46Å; F159-K198 HydrophobicContact CG-CD 3.95Å; F159-K198 HydrophobicContact CG-CG 4.02Å; F159-K198 HydrophobicContact CZ-CB 4.15Å; F159-K198 HydrophobicContact CZ-CG 4.07Å; F159-K198 WeakPolarHBondContact O-CE 3.36Å; F159-K198 PolarHBondContact O-NZ 2.84Å
160	T	98.7	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.			trans	-126.9	150.1	-177.2	176	0	0	0	0	111.2	S162 A167 L184 F185 R186	T160-S162 PolarHBondContact O-N 2.97Å; T160-S162 WeakPolarHBondContact OG1-CB 3.43Å; T160-S162 PolarHBondContact OG1-N 2.64Å; T160-A167 HydrophobicContact CG2-CB 3.78Å; T160-L184 PolarHBondContact N-O 2.89Å; T160-F185 HydrophobicContact CG2-CD1 3.89Å; T160-F185 CarbonylContact O-C 3.54Å; T160-F185 WeakPolarHBondContact O-CA 3.4Å; T160-R186 PolarHBondContact O-N 3.46Å
161	A	97.7	Very high	97.8	Very high	14 Å²	14	20 Å²	20	12%	0.116	11%	0.111	C	C	.	.	S	Bend	trans	-78.7	0.7	168.2	0	0	0	0	0	112.7	R186 Y196	A161-R186 WeakPolarHBondContact O-CB 3.44Å; A161-R186 PolarHBondContact O-NE 3.19Å; A161-R186 PolarHBondContact O-NH2 3.26Å; A161-R186 VanDerWaalsContact O-NH2 3.09Å; A161-Y196 HydrophobicContact CB-CD2 4.19Å; A161-Y196 HydrophobicContact CB-CG 4.12Å
162	S	96.8	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-81.9	161.8	174.9	-71.8	0	0	0	0	112.4	D106 T160 R186	D106-S162 WeakPolarHBondContact OD2-CB 3.42Å; D106-S162 PolarHBondContact OD2-OG 2.66Å; T160-S162 PolarHBondContact O-N 2.97Å; T160-S162 WeakPolarHBondContact OG1-CB 3.43Å; T160-S162 PolarHBondContact OG1-N 2.64Å; S162-R186 PolarHBondContact O-N 3.45Å; S162-R186 VanDerWaalsContact O-N 3.08Å
163	L	95.9	Very high	97.8	Very high	13 Å²	13	22.6 Å²	22.6	7%	0.068	12%	0.124	C	C	.	.			trans	-79.4	144.8	177.6	-63	172.6	0	0	0	110.7	V10 N12 K165 Y166 A167 R186	V10-L163 HydrophobicContact CG1-CD1 4.38Å; N12-L163 HydrophobicContact CB-CD2 4.47Å; L163-K165 HydrophobicContact CB-CG 4Å; L163-K165 PolarHBondContact O-N 2.63Å; L163-Y166 PolarHBondContact O-N 2.79Å; L163-A167 PolarHBondContact O-N 3.21Å; L163-R186 HydrophobicContact CD2-CB 4.15Å
164	A	96.5	Very high	97.8	Very high	29 Å²	29	20.9 Å²	20.9	24%	0.24	12%	0.115	C	C	.	.	H	α-helix	trans	-52.5	-40	179.2	0	0	0	0	0	113.2	Y166 A167 D168 F185	A164-Y166 CarbonylContact O-C 3.6Å; A164-Y166 PolarHBondContact O-N 3.28Å; A164-A167 PolarHBondContact O-N 2.95Å; A164-D168 WeakPolarHBondContact O-CB 3.39Å; A164-D168 PolarHBondContact O-N 3.16Å; A164-F185 HydrophobicContact CB-CB 4.49Å; A164-F185 HydrophobicContact CB-CD1 4.1Å; A164-F185 HydrophobicContact CB-CD2 3.59Å; A164-F185 HydrophobicContact CB-CE1 4.24Å; A164-F185 HydrophobicContact CB-CE2 3.74Å; A164-F185 HydrophobicContact CB-CG 3.78Å; A164-F185 HydrophobicContact CB-CZ 4.06Å
165	K	95.3	Very high	97.8	Very high	87 Å²	87	21.7 Å²	21.7	38%	0.378	12%	0.12	S	C	.	.	H	α-helix	trans	-54.6	-21	179.4	66.8	176	-176.6	178.7	0	115.1	V126 E127 L163	V126-K165 HydrophobicContact CG1-CD 3.98Å; V126-K165 HydrophobicContact CG1-CG 4Å; E127-K165 WeakPolarHBondContact O-CD 3.41Å; E127-K165 WeakPolarHBondContact O-CE 3.13Å; E127-K165 PolarHBondContact O-NZ 2.82Å; L163-K165 HydrophobicContact CB-CG 4Å; L163-K165 PolarHBondContact O-N 2.63Å
166	Y	96.7	Very high	97.7	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-105.9	-49.6	173.2	155.2	-99.6	0	0	0	111	I7 L105 D106 S112 V126 V135 V137 L163 A164 D168 P169 V170	I7-Y166 HydrophobicContact CD1-CD1 4.16Å; I7-Y166 HydrophobicContact CD1-CD2 3.43Å; I7-Y166 VanDerWaalsContact CD1-CD2 3.43Å; I7-Y166 HydrophobicContact CD1-CE1 4.16Å; I7-Y166 HydrophobicContact CD1-CE2 3.4Å; I7-Y166 VanDerWaalsContact CD1-CE2 3.4Å; I7-Y166 HydrophobicContact CD1-CG 3.83Å; I7-Y166 HydrophobicContact CG2-CD1 3.67Å; I7-Y166 HydrophobicContact CG2-CD2 4.46Å; I7-Y166 HydrophobicContact CG2-CE1 4.3Å; I7-Y166 HydrophobicContact CG2-CG 3.78Å; L105-Y166 HydrophobicContact CD2-CE1 4.01Å; D106-Y166 WeakPolarHBondContact OD1-CE1 3.26Å; D106-Y166 PolarHBondContact OD1-OH 3.06Å; S112-Y166 PolarHBondContact OG-OH 3.46Å; V126-Y166 HydrophobicContact CG2-CD2 4.25Å; V135-Y166 HydrophobicContact CG1-CD2 4.08Å; V135-Y166 HydrophobicContact CG1-CE2 3.77Å; V137-Y166 HydrophobicContact CG2-CE2 4.34Å; L163-Y166 PolarHBondContact O-N 2.79Å; A164-Y166 CarbonylContact O-C 3.6Å; A164-Y166 PolarHBondContact O-N 3.28Å; Y166-D168 PolarHBondContact O-N 2.97Å; Y166-P169 WeakPolarHBondContact O-CD 3.27Å; Y166-V170 HydrophobicContact CD2-CG2 3.98Å; Y166-V170 HydrophobicContact CE2-CG2 3.4Å; Y166-V170 VanDerWaalsContact CE2-CG2 3.4Å; Y166-V170 WeakPolarHBondContact O-CG2 3.18Å; Y166-V170 PolarHBondContact O-N 3.49Å
167	A	97.8	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-33.6	-170	0	0	0	0	0	113.2	L105 T160 L163 A164 V170 A171 F185	L105-A167 HydrophobicContact CD2-CB 3.84Å; T160-A167 HydrophobicContact CG2-CB 3.78Å; L163-A167 PolarHBondContact O-N 3.21Å; A164-A167 PolarHBondContact O-N 2.95Å; A167-V170 PolarHBondContact O-N 3.2Å; A167-A171 VanDerWaalsContact O-CB 3.26Å; A167-A171 WeakPolarHBondContact O-CB 3.36Å; A167-A171 PolarHBondContact O-N 3.33Å; A167-F185 HydrophobicContact CB-CD1 3.82Å; A167-F185 HydrophobicContact CB-CE1 3.7Å
168	D	97.8	Very high	97.5	Very high	51 Å²	51	34.7 Å²	34.7	27%	0.273	19%	0.188	S	C	.	.	H	α-helix	trans	-63.1	-54.4	176.8	-91.1	-41.1	0	0	0	112	A164 Y166 V170 A171 D172 R183 F185	A164-D168 WeakPolarHBondContact O-CB 3.39Å; A164-D168 PolarHBondContact O-N 3.16Å; Y166-D168 PolarHBondContact O-N 2.97Å; D168-V170 VanDerWaalsContact C-N 3.26Å; D168-V170 PolarHBondContact O-N 2.86Å; D168-A171 PolarHBondContact O-N 2.84Å; D168-A171 VanDerWaalsContact O-N 3.14Å; D168-D172 VanDerWaalsContact O-CG 3.28Å; D168-D172 PolarHBondContact O-N 2.92Å; D168-R183 PolarHBondContact O-NH1 3.19Å; D168-R183 WeakPolarHBondContact OD1-CD 3.46Å; D168-R183 IonicContact OD1-CZ 3.28Å; D168-R183 IonicContact OD1-NE 3.52Å; D168-R183 IonicContact OD1-NH1 3.39Å; D168-R183 PolarHBondContact OD1-NH1 2.78Å; D168-F185 VanDerWaalsContact CG-CZ 3.47Å; D168-F185 VanDerWaalsContact OD1-CZ 3.28Å; D168-F185 WeakPolarHBondContact OD1-CZ 3.48Å; D168-F185 WeakPolarHBondContact OD2-CZ 3.45Å
169	P	97.8	Very high	97.5	Very high	46 Å²	46	34.8 Å²	34.8	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-57.1	-36.7	176	-26.7	31.6	0	0	0	114.1	V124 Y166 L173	V124-P169 HydrophobicContact CG1-CB 3.59Å; V124-P169 HydrophobicContact CG1-CG 4.07Å; V124-P169 HydrophobicContact CG2-CB 4.31Å; Y166-P169 WeakPolarHBondContact O-CD 3.27Å; P169-L173 WeakPolarHBondContact O-CG 3.45Å; P169-L173 PolarHBondContact O-N 3.49Å
170	V	98.3	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-46.3	176.2	173.7	0	0	0	0	110.9	L105 V110 V124 V137 Y166 A167 D168 D172 L173 L174	L105-V170 HydrophobicContact CD1-CG1 4.09Å; L105-V170 HydrophobicContact CD2-CB 4.46Å; L105-V170 HydrophobicContact CD2-CG1 4.26Å; V110-V170 HydrophobicContact CG1-CG1 4.44Å; V110-V170 HydrophobicContact CG2-CG1 4.22Å; V124-V170 HydrophobicContact CG2-CG2 3.88Å; V137-V170 HydrophobicContact CG1-CG1 4.32Å; V137-V170 HydrophobicContact CG2-CG2 3.98Å; Y166-V170 HydrophobicContact CD2-CG2 3.98Å; Y166-V170 HydrophobicContact CE2-CG2 3.4Å; Y166-V170 VanDerWaalsContact CE2-CG2 3.4Å; Y166-V170 WeakPolarHBondContact O-CG2 3.18Å; Y166-V170 PolarHBondContact O-N 3.49Å; A167-V170 PolarHBondContact O-N 3.2Å; D168-V170 VanDerWaalsContact C-N 3.26Å; D168-V170 PolarHBondContact O-N 2.86Å; V170-D172 VanDerWaalsContact C-N 3.31Å; V170-D172 PolarHBondContact O-N 3.06Å; V170-L173 PolarHBondContact O-N 3.31Å; V170-L174 VanDerWaalsContact O-CB 3.24Å; V170-L174 WeakPolarHBondContact O-CB 3.42Å; V170-L174 PolarHBondContact O-N 3.42Å
171	A	98.2	Very high	96.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-38.8	177.9	0	0	0	0	0	112	L158 A167 D168 L173 L174 D175	L158-A171 HydrophobicContact CD2-CB 3.68Å; A167-A171 VanDerWaalsContact O-CB 3.26Å; A167-A171 WeakPolarHBondContact O-CB 3.36Å; A167-A171 PolarHBondContact O-N 3.33Å; D168-A171 PolarHBondContact O-N 2.84Å; D168-A171 VanDerWaalsContact O-N 3.14Å; A171-L173 VanDerWaalsContact C-N 3.29Å; A171-L173 PolarHBondContact O-N 3.21Å; A171-L174 PolarHBondContact O-N 3.45Å; A171-D175 VanDerWaalsContact O-CB 3.27Å; A171-D175 WeakPolarHBondContact O-CB 3.44Å; A171-D175 PolarHBondContact O-N 2.92Å
172	D	98	Very high	96.8	Very high	103 Å²	103	40.8 Å²	40.8	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-62.4	-34.3	176.4	-70.7	-17.5	0	0	0	112.9	D168 V170 R183	D168-D172 VanDerWaalsContact O-CG 3.28Å; D168-D172 PolarHBondContact O-N 2.92Å; V170-D172 VanDerWaalsContact C-N 3.31Å; V170-D172 PolarHBondContact O-N 3.06Å; D172-R183 IonicContact OD1-CZ 3.52Å; D172-R183 IonicContact OD1-NH1 3.88Å; D172-R183 PolarHBondContact OD1-NH1 3.07Å; D172-R183 IonicContact OD1-NH2 3.74Å; D172-R183 PolarHBondContact OD1-NH2 2.92Å
173	L	98.1	Very high	96.9	Very high	82 Å²	82	43.9 Å²	43.9	43%	0.429	23%	0.23	S	C	.	.	H	α-helix	trans	-82.7	-31.5	178.1	-68	170.4	0	0	0	112.7	F122 V124 P169 V170 A171	F122-L173 HydrophobicContact CB-CD1 3.88Å; F122-L173 HydrophobicContact CD1-CB 4.01Å; F122-L173 HydrophobicContact CD1-CD1 4.07Å; F122-L173 HydrophobicContact CD2-CB 4.12Å; F122-L173 HydrophobicContact CD2-CD1 4.39Å; F122-L173 HydrophobicContact CE1-CB 3.9Å; F122-L173 HydrophobicContact CE2-CB 3.98Å; F122-L173 HydrophobicContact CG-CB 4.14Å; F122-L173 HydrophobicContact CG-CD1 3.87Å; F122-L173 HydrophobicContact CZ-CB 3.86Å; V124-L173 HydrophobicContact CG2-CD1 4.2Å; P169-L173 WeakPolarHBondContact O-CG 3.45Å; P169-L173 PolarHBondContact O-N 3.49Å; V170-L173 PolarHBondContact O-N 3.31Å; A171-L173 VanDerWaalsContact C-N 3.29Å; A171-L173 PolarHBondContact O-N 3.21Å
174	L	98.3	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-83	-44.2	-176.5	-170.3	69.7	0	0	0	112.4	L105 L109 V110 F122 K139 V143 L147 V170 A171 Q176	L105-L174 HydrophobicContact CD1-CD2 4.29Å; L109-L174 HydrophobicContact CB-CD2 4.11Å; L109-L174 HydrophobicContact CD1-CD2 4.12Å; V110-L174 HydrophobicContact CG1-CD1 4.12Å; V110-L174 HydrophobicContact CG1-CD2 3.96Å; F122-L174 HydrophobicContact CE2-CB 4.33Å; F122-L174 HydrophobicContact CE2-CD1 4.21Å; F122-L174 HydrophobicContact CZ-CD1 4.46Å; K139-L174 HydrophobicContact CD-CD1 4.31Å; K139-L174 HydrophobicContact CG-CD1 4.06Å; V143-L174 HydrophobicContact CG1-CD1 3.9Å; V143-L174 HydrophobicContact CG2-CD1 4.08Å; V143-L174 HydrophobicContact CG2-CD2 4.28Å; V143-L174 HydrophobicContact CG2-CG 4.48Å; L147-L174 HydrophobicContact CD1-CD2 3.91Å; L147-L174 HydrophobicContact CD1-CG 3.77Å; V170-L174 VanDerWaalsContact O-CB 3.24Å; V170-L174 WeakPolarHBondContact O-CB 3.42Å; V170-L174 PolarHBondContact O-N 3.42Å; A171-L174 PolarHBondContact O-N 3.45Å; L174-Q176 PolarHBondContact O-N 3.29Å; L174-Q176 VanDerWaalsContact O-N 3.15Å
175	D	97.9	Very high	97.2	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.091	22%	0.223	C	C	.	.			trans	-86.4	84.4	-174.2	-176.5	8.5	0	0	0	112	A171 W177 G178 V179 F180	A171-D175 VanDerWaalsContact O-CB 3.27Å; A171-D175 WeakPolarHBondContact O-CB 3.44Å; A171-D175 PolarHBondContact O-N 2.92Å; D175-W177 VanDerWaalsContact C-N 3.29Å; D175-W177 PolarHBondContact O-N 3.04Å; D175-W177 PolarHBondContact OD1-N 3.45Å; D175-G178 PolarHBondContact OD1-N 2.73Å; D175-V179 WeakPolarHBondContact OD1-CB 3.36Å; D175-V179 WeakPolarHBondContact OD1-CG2 3.41Å; D175-V179 PolarHBondContact OD1-N 2.74Å; D175-V179 PolarHBondContact OD2-N 3.22Å; D175-F180 HydrophobicContact CB-CD2 3.93Å; D175-F180 HydrophobicContact CB-CE2 4.36Å; D175-F180 PolarHBondContact OD2-N 3.36Å
176	Q	96.8	Very high	97.3	Very high	132 Å²	132	39.8 Å²	39.8	62%	0.617	21%	0.206	S	C	*	.	S	Bend	trans	-78.6	-11	-179.2	-57.6	-171.4	-15.8	0	0	114	L174	L174-Q176 PolarHBondContact O-N 3.29Å; L174-Q176 VanDerWaalsContact O-N 3.15Å
177	W	97.3	Very high	97.2	Very high	106 Å²	106	45 Å²	45	40%	0.402	23%	0.231	S	C	.	.	S	Bend	trans	-113.6	-1.4	-173.5	-59.5	-90.7	0	0	0	113.8	D144 Q148 D175 V179	D144-W177 HydrophobicContact CB-CH2 3.73Å; D144-W177 HydrophobicContact CB-CZ3 4.18Å; D144-W177 WeakPolarHBondContact O-CZ3 3.03Å; Q148-W177 HydrophobicContact CB-CD2 3.9Å; Q148-W177 HydrophobicContact CB-CE3 4.15Å; Q148-W177 HydrophobicContact CB-CG 4.36Å; Q148-W177 HydrophobicContact CB-CZ2 4.25Å; Q148-W177 HydrophobicContact CB-CZ3 4.46Å; Q148-W177 HydrophobicContact CG-CD2 4.13Å; Q148-W177 HydrophobicContact CG-CG 4.19Å; D175-W177 VanDerWaalsContact C-N 3.29Å; D175-W177 PolarHBondContact O-N 3.04Å; D175-W177 PolarHBondContact OD1-N 3.45Å; W177-V179 HydrophobicContact CB-CG2 4.01Å
178	G	96.4	Very high	97.2	Very high	46 Å²	46	46.1 Å²	46.1	47%	0.474	24%	0.238	S	C	.	.			trans	69.4	37.7	-176.1	0	0	0	0	0	112.1	D175	D175-G178 PolarHBondContact OD1-N 2.73Å
179	V	97.4	Very high	97.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	23%	0.229	C	C	.	.			trans	-62.8	-46.6	179.7	176.5	0	0	0	0	110.5	L147 C156 D175 W177 H181	L147-V179 HydrophobicContact CB-CG2 4.27Å; L147-V179 HydrophobicContact CD2-CG1 4.5Å; L147-V179 WeakPolarHBondContact O-CG2 3.49Å; C156-V179 HydrophobicContact CB-CG1 3.55Å; C156-V179 WeakPolarHBondContact CB-O 3.24Å; D175-V179 WeakPolarHBondContact OD1-CB 3.36Å; D175-V179 WeakPolarHBondContact OD1-CG2 3.41Å; D175-V179 PolarHBondContact OD1-N 2.74Å; D175-V179 PolarHBondContact OD2-N 3.22Å; W177-V179 HydrophobicContact CB-CG2 4.01Å; V179-H181 PolarHBondContact O-N 3.45Å; V179-H181 PolarHBondContact O-ND1 2.91Å
180	F	97.6	Very high	97.2	Very high	17 Å²	17	44 Å²	44	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	102.1	-173.9	-61.9	-57.8	0	0	0	112.1	I103 L109 L147 C156 L158 D175 A182	I103-F180 HydrophobicContact CB-CE1 4.12Å; I103-F180 HydrophobicContact CD1-CE1 4.11Å; I103-F180 HydrophobicContact CG1-CE1 4.45Å; L109-F180 HydrophobicContact CD1-CZ 3.97Å; L147-F180 HydrophobicContact CD1-CE2 4.35Å; L147-F180 HydrophobicContact CD2-CE1 4.34Å; L147-F180 HydrophobicContact CD2-CE2 4.11Å; L147-F180 HydrophobicContact CD2-CZ 3.59Å; C156-F180 HydrophobicContact CB-CD1 4.18Å; L158-F180 HydrophobicContact CB-CB 4.28Å; L158-F180 HydrophobicContact CB-CD1 3.7Å; L158-F180 HydrophobicContact CB-CD2 4.22Å; L158-F180 HydrophobicContact CB-CE1 4Å; L158-F180 HydrophobicContact CB-CE2 4.49Å; L158-F180 HydrophobicContact CB-CG 3.82Å; L158-F180 HydrophobicContact CB-CZ 4.37Å; L158-F180 HydrophobicContact CD1-CE2 4.48Å; L158-F180 HydrophobicContact CD1-CZ 4.25Å; L158-F180 VanDerWaalsContact N-CD1 3.34Å; D175-F180 HydrophobicContact CB-CD2 3.93Å; D175-F180 HydrophobicContact CB-CE2 4.36Å; D175-F180 PolarHBondContact OD2-N 3.36Å; F180-A182 VanDerWaalsContact C-N 3.33Å
181	H	87.6	Confident	97.1	Very high	100 Å²	100	50.4 Å²	50.4	46%	0.463	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-23.1	179.1	-69.5	70.2	0	0	0	112.7	D95 C156 V179	D95-H181 IonicContact OD2-CD2 3.51Å; D95-H181 PolarHBondContact OD2-CD2 3.01Å; D95-H181 IonicContact OD2-CE1 3.61Å; D95-H181 IonicContact OD2-CG 3.41Å; D95-H181 IonicContact OD2-NE2 2.84Å; C156-H181 PolarHBondContact O-N 2.86Å; C156-H181 VanDerWaalsContact O-N 3.16Å; V179-H181 PolarHBondContact O-N 3.45Å; V179-H181 PolarHBondContact O-ND1 2.91Å
182	A	97.2	Very high	96.9	Very high	22 Å²	22	53 Å²	53	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.5	172.8	0	0	0	0	0	110.2	L88 V157 L158 F180	L88-A182 HydrophobicContact CD2-CB 3.53Å; V157-A182 HydrophobicContact CG1-CB 4.34Å; V157-A182 HydrophobicContact CG2-CB 4.48Å; L158-A182 PolarHBondContact N-O 3.27Å; F180-A182 VanDerWaalsContact C-N 3.33Å
183	R	98.6	Very high	96.7	Very high	66 Å²	66	58.4 Å²	58.4	25%	0.249	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.5	175.1	-55.4	-179.8	-177.1	170.2	-0.9	108.9	L158 D168 D172 F185	L158-R183 HydrophobicContact CB-CB 4.39Å; L158-R183 HydrophobicContact CB-CG 4.15Å; L158-R183 HydrophobicContact CD2-CB 4.3Å; L158-R183 HydrophobicContact CD2-CG 4.03Å; L158-R183 CarbonylContact O-C 3.59Å; L158-R183 WeakPolarHBondContact O-CA 3.39Å; D168-R183 PolarHBondContact O-NH1 3.19Å; D168-R183 WeakPolarHBondContact OD1-CD 3.46Å; D168-R183 IonicContact OD1-CZ 3.28Å; D168-R183 IonicContact OD1-NE 3.52Å; D168-R183 IonicContact OD1-NH1 3.39Å; D168-R183 PolarHBondContact OD1-NH1 2.78Å; D172-R183 IonicContact OD1-CZ 3.52Å; D172-R183 IonicContact OD1-NH1 3.88Å; D172-R183 PolarHBondContact OD1-NH1 3.07Å; D172-R183 IonicContact OD1-NH2 3.74Å; D172-R183 PolarHBondContact OD1-NH2 2.92Å; R183-F185 HydrophobicContact CB-CE1 4.07Å; R183-F185 HydrophobicContact CB-CE2 4.03Å; R183-F185 HydrophobicContact CB-CZ 3.48Å; R183-F185 VanDerWaalsContact CB-CZ 3.48Å; R183-F185 HydrophobicContact CG-CZ 4.5Å
184	L	98.7	Very high	96.4	Very high	11 Å²	11	57 Å²	57	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.9	179.2	-60.7	177.3	0	0	0	107.9	L87 L88 V157 L158 F159 T160 L203	L87-L184 HydrophobicContact CB-CD1 4.07Å; L87-L184 HydrophobicContact CB-CD2 4.12Å; L87-L184 HydrophobicContact CD1-CD1 4.2Å; L88-L184 HydrophobicContact CD2-CD1 4.08Å; L88-L184 HydrophobicContact CD2-CD2 4.49Å; L88-L184 HydrophobicContact CD2-CG 4.41Å; V157-L184 HydrophobicContact CG1-CD1 3.92Å; V157-L184 HydrophobicContact CG1-CG 4.13Å; L158-L184 PolarHBondContact O-N 3.18Å; F159-L184 CarbonylContact C-O 3.6Å; F159-L184 VanDerWaalsContact CA-O 3.29Å; F159-L184 WeakPolarHBondContact CA-O 3.44Å; F159-L184 HydrophobicContact CB-CB 4.15Å; F159-L184 HydrophobicContact CD1-CB 3.34Å; F159-L184 HydrophobicContact CD1-CD1 4.36Å; F159-L184 HydrophobicContact CD1-CG 4.49Å; F159-L184 WeakPolarHBondContact CD1-O 3.33Å; F159-L184 HydrophobicContact CD2-CB 4.4Å; F159-L184 HydrophobicContact CD2-CD1 3.97Å; F159-L184 HydrophobicContact CE1-CB 3.73Å; F159-L184 HydrophobicContact CE2-CD1 4.14Å; F159-L184 HydrophobicContact CG-CB 3.72Å; F159-L184 HydrophobicContact CG-CD1 4.08Å; F159-L184 HydrophobicContact CZ-CB 4.4Å; F159-L184 HydrophobicContact CZ-CD1 4.4Å; T160-L184 PolarHBondContact N-O 2.89Å; L184-L203 HydrophobicContact CD1-CD2 3.74Å
185	F	98.4	Very high	96.2	Very high	26 Å²	26	60.6 Å²	60.6	11%	0.114	30%	0.304	C	S	.	.			trans	-111.8	-171.4	-175.6	-52.9	-69.4	0	0	0	110.7	T160 A164 A167 D168 R183 E187 S188	T160-F185 HydrophobicContact CG2-CD1 3.89Å; T160-F185 CarbonylContact O-C 3.54Å; T160-F185 WeakPolarHBondContact O-CA 3.4Å; A164-F185 HydrophobicContact CB-CB 4.49Å; A164-F185 HydrophobicContact CB-CD1 4.1Å; A164-F185 HydrophobicContact CB-CD2 3.59Å; A164-F185 HydrophobicContact CB-CE1 4.24Å; A164-F185 HydrophobicContact CB-CE2 3.74Å; A164-F185 HydrophobicContact CB-CG 3.78Å; A164-F185 HydrophobicContact CB-CZ 4.06Å; A167-F185 HydrophobicContact CB-CD1 3.82Å; A167-F185 HydrophobicContact CB-CE1 3.7Å; D168-F185 VanDerWaalsContact CG-CZ 3.47Å; D168-F185 VanDerWaalsContact OD1-CZ 3.28Å; D168-F185 WeakPolarHBondContact OD1-CZ 3.48Å; D168-F185 WeakPolarHBondContact OD2-CZ 3.45Å; R183-F185 HydrophobicContact CB-CE1 4.07Å; R183-F185 HydrophobicContact CB-CE2 4.03Å; R183-F185 HydrophobicContact CB-CZ 3.48Å; R183-F185 VanDerWaalsContact CB-CZ 3.48Å; R183-F185 HydrophobicContact CG-CZ 4.5Å; F185-E187 PolarHBondContact O-N 2.89Å; F185-E187 VanDerWaalsContact O-N 3.07Å; F185-S188 WeakPolarHBondContact O-CA 3.36Å; F185-S188 VanDerWaalsContact O-CB 3.3Å; F185-S188 WeakPolarHBondContact O-CB 3.26Å; F185-S188 PolarHBondContact O-N 2.93Å
186	R	97.6	Very high	96.2	Very high	6 Å²	6	62 Å²	62	2%	0.023	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-45.4	-42	179.7	-174.8	172.6	-64.7	178.3	11.9	114.4	I7 T8 V10 T160 A161 S162 L163 S188 C189 Y196	I7-R186 PolarHBondContact O-NH2 2.87Å; T8-R186 PolarHBondContact O-NH2 3.14Å; V10-R186 PolarHBondContact O-NH1 3.04Å; T160-R186 PolarHBondContact O-N 3.46Å; A161-R186 WeakPolarHBondContact O-CB 3.44Å; A161-R186 PolarHBondContact O-NE 3.19Å; A161-R186 PolarHBondContact O-NH2 3.26Å; A161-R186 VanDerWaalsContact O-NH2 3.09Å; S162-R186 PolarHBondContact O-N 3.45Å; S162-R186 VanDerWaalsContact O-N 3.08Å; L163-R186 HydrophobicContact CD2-CB 4.15Å; R186-S188 PolarHBondContact O-N 2.82Å; R186-C189 VanDerWaalsContact O-CB 3.29Å; R186-C189 WeakPolarHBondContact O-CB 3.32Å; R186-C189 PolarHBondContact O-N 2.88Å; R186-Y196 HydrophobicContact CG-CD1 3.93Å; R186-Y196 HydrophobicContact CG-CE1 3.5Å; R186-Y196 VanDerWaalsContact CG-CE1 3.5Å
187	E	96.1	Very high	96.3	Very high	111 Å²	111	55.7 Å²	55.7	52%	0.519	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-65	-21.3	-177.4	-59.5	74.8	-161.2	0	0	112.8	N12 F185	N12-E187 PolarHBondContact ND2-OE1 3.13Å; F185-E187 PolarHBondContact O-N 2.89Å; F185-E187 VanDerWaalsContact O-N 3.07Å
188	S	98	Very high	96.4	Very high	23 Å²	23	50.7 Å²	50.7	16%	0.161	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-83.4	-20.8	175.4	-62.8	0	0	0	0	112.5	F185 R186 R202	F185-S188 WeakPolarHBondContact O-CA 3.36Å; F185-S188 VanDerWaalsContact O-CB 3.3Å; F185-S188 WeakPolarHBondContact O-CB 3.26Å; F185-S188 PolarHBondContact O-N 2.93Å; R186-S188 PolarHBondContact O-N 2.82Å; S188-R202 PolarHBondContact O-NH1 2.87Å
189	C	97.8	Very high	96.5	Very high	13 Å²	13	49.8 Å²	49.8	9%	0.088	24%	0.244	C	C	.	.	S	Bend	trans	-67.8	160.1	175.8	-60.3	0	0	0	0	111.8	F159 R186 Y196 V197	F159-C189 VanDerWaalsContact CE1-SG 3.58Å; R186-C189 VanDerWaalsContact O-CB 3.29Å; R186-C189 WeakPolarHBondContact O-CB 3.32Å; R186-C189 PolarHBondContact O-N 2.88Å; C189-Y196 HydrophobicContact CB-CD1 3.95Å; C189-Y196 HydrophobicContact CB-CG 4.41Å; C189-V197 WeakPolarHBondContact CA-O 3.4Å
190	V	97.2	Very high	96.5	Very high	40 Å²	40	49.6 Å²	49.6	24%	0.242	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.6	167.9	177.9	0	0	0	0	108	H192 V197 D199	V190-H192 HydrophobicContact CG1-CB 4.46Å; V190-H192 PolarHBondContact O-N 3.11Å; V190-V197 PolarHBondContact N-O 3.33Å; V190-V197 PolarHBondContact O-N 2.96Å; V190-D199 HydrophobicContact CG2-CB 3.95Å
191	F	95.9	Very high	96.5	Very high	133 Å²	133	51.8 Å²	51.8	58%	0.583	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	105.6	173.4	-166.2	-112.7	0	0	0	110	N195 Y196	F191-N195 CarbonylContact C-O 3.58Å; F191-N195 WeakPolarHBondContact CA-O 3.19Å; F191-Y196 AromaticContact CD2-CD1 3.94Å; F191-Y196 HydrophobicContact CD2-CD1 3.94Å; F191-Y196 HydrophobicContact CD2-CD2 4.5Å; F191-Y196 AromaticContact CD2-CE1 3.72Å; F191-Y196 HydrophobicContact CD2-CE1 3.72Å; F191-Y196 HydrophobicContact CD2-CE2 4.31Å; F191-Y196 HydrophobicContact CD2-CG 4.32Å; F191-Y196 AromaticContact CD2-CZ 3.91Å; F191-Y196 HydrophobicContact CE2-CE1 4.39Å; F191-Y196 HydrophobicContact CE2-CE2 4.25Å
192	H	94.1	Very high	97	Very high	57 Å²	57	51 Å²	51	26%	0.264	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.5	-175.1	-176	80.4	0	0	0	110.8	V190 G194 N195 V197 F222	V190-H192 HydrophobicContact CG1-CB 4.46Å; V190-H192 PolarHBondContact O-N 3.11Å; H192-G194 VanDerWaalsContact C-N 3.25Å; H192-G194 PolarHBondContact O-N 3.37Å; H192-N195 PolarHBondContact N-O 3.33Å; H192-N195 PolarHBondContact O-N 3.35Å; H192-V197 HydrophobicContact CB-CG2 3.79Å; H192-F222 HydrophobicContact CB-CZ 4.14Å; H192-F222 AromaticContact CD2-CE1 3.95Å; H192-F222 AromaticContact CD2-CZ 4Å; H192-F222 AromaticContact CG-CZ 3.73Å; H192-F222 AromaticContact ND1-CZ 3.82Å
193	R	93.8	Very high	97.1	Very high	216 Å²	216	50 Å²	50	82%	0.815	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.5	177.2	-61.6	178.6	177.2	-177.2	1	113.3	N195	R193-N195 VanDerWaalsContact C-N 3.32Å; R193-N195 PolarHBondContact O-N 3.37Å; R193-N195 PolarHBondContact O-ND2 3.45Å
194	G	92.6	Very high	97	Very high	53 Å²	53	48 Å²	48	55%	0.546	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	3.8	179.1	0	0	0	0	0	115.2	H192	H192-G194 VanDerWaalsContact C-N 3.25Å; H192-G194 PolarHBondContact O-N 3.37Å
195	N	94.1	Very high	97	Very high	74 Å²	74	49.3 Å²	49.3	40%	0.396	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.9	179.4	-58.9	-77.8	0	0	0	110.9	F191 H192 R193 A218	F191-N195 CarbonylContact C-O 3.58Å; F191-N195 WeakPolarHBondContact CA-O 3.19Å; H192-N195 PolarHBondContact N-O 3.33Å; H192-N195 PolarHBondContact O-N 3.35Å; R193-N195 VanDerWaalsContact C-N 3.32Å; R193-N195 PolarHBondContact O-N 3.37Å; R193-N195 PolarHBondContact O-ND2 3.45Å; N195-A218 HydrophobicContact CB-CB 4.08Å
196	Y	97.6	Very high	96.9	Very high	46 Å²	46	53.3 Å²	53.3	18%	0.18	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.8	167.1	-67.4	-76.2	0	0	0	109.2	E15 A161 R186 C189 F191	E15-Y196 PolarHBondContact OE1-OH 3.19Å; E15-Y196 PolarHBondContact OE2-OH 3.24Å; A161-Y196 HydrophobicContact CB-CD2 4.19Å; A161-Y196 HydrophobicContact CB-CG 4.12Å; R186-Y196 HydrophobicContact CG-CD1 3.93Å; R186-Y196 HydrophobicContact CG-CE1 3.5Å; R186-Y196 VanDerWaalsContact CG-CE1 3.5Å; C189-Y196 HydrophobicContact CB-CD1 3.95Å; C189-Y196 HydrophobicContact CB-CG 4.41Å; F191-Y196 AromaticContact CD2-CD1 3.94Å; F191-Y196 HydrophobicContact CD2-CD1 3.94Å; F191-Y196 HydrophobicContact CD2-CD2 4.5Å; F191-Y196 AromaticContact CD2-CE1 3.72Å; F191-Y196 HydrophobicContact CD2-CE1 3.72Å; F191-Y196 HydrophobicContact CD2-CE2 4.31Å; F191-Y196 HydrophobicContact CD2-CG 4.32Å; F191-Y196 AromaticContact CD2-CZ 3.91Å; F191-Y196 HydrophobicContact CE2-CE1 4.39Å; F191-Y196 HydrophobicContact CE2-CE2 4.25Å
197	V	98.4	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.8	-178.7	-177.4	0	0	0	0	109.8	C189 V190 H192 D199 S219 I221 F222	C189-V197 WeakPolarHBondContact CA-O 3.4Å; V190-V197 PolarHBondContact N-O 3.33Å; V190-V197 PolarHBondContact O-N 2.96Å; H192-V197 HydrophobicContact CB-CG2 3.79Å; V197-D199 PolarHBondContact O-N 3.4Å; V197-S219 CarbonylContact C-O 3.58Å; V197-S219 WeakPolarHBondContact CG1-O 3.42Å; V197-I221 HydrophobicContact CB-CG2 4.47Å; V197-I221 HydrophobicContact CG1-CG2 3.84Å; V197-I221 HydrophobicContact CG2-CG2 3.73Å; V197-F222 HydrophobicContact CB-CE2 4.43Å; V197-F222 HydrophobicContact CG1-CD2 3.66Å; V197-F222 HydrophobicContact CG1-CE2 3.89Å; V197-F222 HydrophobicContact CG1-CG 4.01Å; V197-F222 HydrophobicContact CG1-CZ 4.44Å
198	K	98.7	Very high	97.1	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	27%	0.273	C	S	.	.			trans	-89.2	84.9	175.2	-61.9	176	-171.6	175.7	0	108.5	D104 F159 L200 I212 D214 S219	D104-K198 VanDerWaalsContact CB-NZ 3.28Å; D104-K198 IonicContact OD1-NZ 2.79Å; D104-K198 PolarHBondContact OD1-NZ 3.24Å; F159-K198 HydrophobicContact CB-CD 4.22Å; F159-K198 HydrophobicContact CD1-CD 4.39Å; F159-K198 HydrophobicContact CD1-CG 4.2Å; F159-K198 HydrophobicContact CD2-CB 3.77Å; F159-K198 HydrophobicContact CD2-CD 4.03Å; F159-K198 HydrophobicContact CD2-CG 3.84Å; F159-K198 HydrophobicContact CE1-CG 4.22Å; F159-K198 HydrophobicContact CE2-CB 3.59Å; F159-K198 HydrophobicContact CE2-CG 3.86Å; F159-K198 HydrophobicContact CG-CB 4.46Å; F159-K198 HydrophobicContact CG-CD 3.95Å; F159-K198 HydrophobicContact CG-CG 4.02Å; F159-K198 HydrophobicContact CZ-CB 4.15Å; F159-K198 HydrophobicContact CZ-CG 4.07Å; F159-K198 WeakPolarHBondContact O-CE 3.36Å; F159-K198 PolarHBondContact O-NZ 2.84Å; K198-L200 PolarHBondContact O-N 2.61Å; K198-I212 HydrophobicContact CB-CD1 3.99Å; K198-I212 HydrophobicContact CD-CD1 3.82Å; K198-D214 VanDerWaalsContact CE-OD2 3.26Å; K198-D214 WeakPolarHBondContact CE-OD2 3.45Å; K198-D214 IonicContact NZ-OD2 2.85Å; K198-D214 PolarHBondContact NZ-OD2 3.2Å; K198-S219 PolarHBondContact N-O 3.15Å
199	D	98.4	Very high	97.1	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.144	28%	0.278	C	S	.	.			trans	-71.6	98.2	179.6	-177.2	3.3	0	0	0	111.1	V190 V197 S201 R202 F222 H223	V190-D199 HydrophobicContact CG2-CB 3.95Å; V197-D199 PolarHBondContact O-N 3.4Å; D199-S201 VanDerWaalsContact CG-OG 3.24Å; D199-S201 PolarHBondContact O-N 3.16Å; D199-S201 WeakPolarHBondContact OD1-CB 3.48Å; D199-S201 PolarHBondContact OD1-N 3.5Å; D199-S201 VanDerWaalsContact OD1-N 3.16Å; D199-S201 PolarHBondContact OD1-OG 3.35Å; D199-S201 PolarHBondContact OD2-OG 3.37Å; D199-R202 HydrophobicContact CB-CG 4.2Å; D199-R202 WeakPolarHBondContact O-CB 3.29Å; D199-R202 PolarHBondContact O-N 3.03Å; D199-R202 VanDerWaalsContact O-N 3.09Å; D199-F222 HydrophobicContact CB-CD2 4.13Å; D199-H223 IonicContact OD1-CD2 3.92Å; D199-H223 IonicContact OD1-CE1 3.94Å; D199-H223 IonicContact OD1-NE2 3.74Å; D199-H223 PolarHBondContact OD1-NE2 3.14Å
200	L	98.7	Very high	97.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.8	-24.4	-176.7	-53.3	-176.3	0	0	0	113	V102 K198 R202 L203 L207 V210 I212 H223 N226	V102-L200 HydrophobicContact CB-CD2 4.48Å; V102-L200 HydrophobicContact CG2-CD2 4.05Å; K198-L200 PolarHBondContact O-N 2.61Å; L200-R202 PolarHBondContact O-N 2.93Å; L200-R202 VanDerWaalsContact O-N 3.14Å; L200-L203 HydrophobicContact CB-CD1 4.17Å; L200-L203 HydrophobicContact CD2-CD1 3.98Å; L200-L203 WeakPolarHBondContact O-CB 3.42Å; L200-L203 WeakPolarHBondContact O-CG 3.28Å; L200-L203 PolarHBondContact O-N 3.33Å; L200-L203 VanDerWaalsContact O-N 3.11Å; L200-L207 HydrophobicContact CB-CD2 3.7Å; L200-V210 HydrophobicContact CB-CG1 4.35Å; L200-V210 HydrophobicContact CD1-CG1 3.96Å; L200-V210 HydrophobicContact CD2-CG1 4.36Å; L200-V210 HydrophobicContact CG-CG1 4.46Å; L200-I212 HydrophobicContact CD1-CB 4.23Å; L200-I212 HydrophobicContact CD1-CG2 3.95Å; L200-I212 HydrophobicContact CD2-CB 4.28Å; L200-I212 HydrophobicContact CD2-CD1 4.12Å; L200-H223 HydrophobicContact CB-CB 4.48Å; L200-H223 HydrophobicContact CD1-CB 3.61Å; L200-H223 HydrophobicContact CG-CB 4.05Å; L200-H223 PolarHBondContact N-CD2 2.95Å; L200-H223 VanDerWaalsContact N-CD2 3.32Å; L200-H223 PolarHBondContact N-NE2 3.07Å; L200-N226 HydrophobicContact CD1-CB 3.62Å
201	S	98.1	Very high	97.2	Very high	62 Å²	62	54.3 Å²	54.3	43%	0.434	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-63.6	-20.3	177.2	74	0	0	0	0	112.8	D199	D199-S201 VanDerWaalsContact CG-OG 3.24Å; D199-S201 PolarHBondContact O-N 3.16Å; D199-S201 WeakPolarHBondContact OD1-CB 3.48Å; D199-S201 PolarHBondContact OD1-N 3.5Å; D199-S201 VanDerWaalsContact OD1-N 3.16Å; D199-S201 PolarHBondContact OD1-OG 3.35Å; D199-S201 PolarHBondContact OD2-OG 3.37Å
202	R	97.9	Very high	97.3	Very high	85 Å²	85	48 Å²	48	32%	0.321	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-84.8	-7.5	179.1	-60.3	177.7	62.7	-163.2	-5	113.4	F86 L87 S188 D199 L200 G204	F86-R202 CarbonylContact C-O 3.56Å; F86-R202 WeakPolarHBondContact CA-O 3.32Å; L87-R202 HydrophobicContact CD1-CB 3.7Å; L87-R202 HydrophobicContact CG-CB 3.89Å; L87-R202 WeakPolarHBondContact CG-O 3.33Å; L87-R202 PolarHBondContact N-O 3.46Å; S188-R202 PolarHBondContact O-NH1 2.87Å; D199-R202 HydrophobicContact CB-CG 4.2Å; D199-R202 WeakPolarHBondContact O-CB 3.29Å; D199-R202 PolarHBondContact O-N 3.03Å; D199-R202 VanDerWaalsContact O-N 3.09Å; L200-R202 PolarHBondContact O-N 2.93Å; L200-R202 VanDerWaalsContact O-N 3.14Å; R202-G204 VanDerWaalsContact C-N 3.32Å; R202-G204 PolarHBondContact O-N 3.32Å
203	L	98.2	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-69.8	-27.9	-176.5	-63.9	173.2	0	0	0	113.2	L87 L88 V102 L184 L200 R205 V210	L87-L203 HydrophobicContact CD1-CD2 4.42Å; L88-L203 VanDerWaalsContact CB-O 3.28Å; L88-L203 WeakPolarHBondContact CB-O 3.38Å; L88-L203 HydrophobicContact CD1-CB 4.05Å; L88-L203 HydrophobicContact CD1-CD2 4.13Å; L88-L203 HydrophobicContact CG-CB 4.42Å; L88-L203 HydrophobicContact CG-CD2 4.19Å; L88-L203 PolarHBondContact N-O 3.02Å; V102-L203 HydrophobicContact CG2-CD1 3.65Å; L184-L203 HydrophobicContact CD1-CD2 3.74Å; L200-L203 HydrophobicContact CB-CD1 4.17Å; L200-L203 HydrophobicContact CD2-CD1 3.98Å; L200-L203 WeakPolarHBondContact O-CB 3.42Å; L200-L203 WeakPolarHBondContact O-CG 3.28Å; L200-L203 PolarHBondContact O-N 3.33Å; L200-L203 VanDerWaalsContact O-N 3.11Å; L203-R205 HydrophobicContact CB-CB 4.47Å; L203-R205 HydrophobicContact CB-CG 4.22Å; L203-V210 HydrophobicContact CD1-CG1 3.87Å
204	G	97.1	Very high	97.8	Very high	24 Å²	24	35 Å²	35	25%	0.247	18%	0.183	C	C	.	.	S	Bend	trans	75.4	38.7	-169.6	0	0	0	0	0	112.2	R202	R202-G204 VanDerWaalsContact C-N 3.32Å; R202-G204 PolarHBondContact O-N 3.32Å
205	R	97.6	Very high	98.1	Very high	39 Å²	39	33.8 Å²	33.8	15%	0.147	16%	0.164	C	C	.	.	S	Bend	trans	-129.4	151.4	174.6	-59.4	-64.4	178.7	-92.5	4.2	108.8	L88 P89 C100 E155 L203 L207 V210	L88-R205 HydrophobicContact CD1-CG 4.15Å; P89-R205 PolarHBondContact O-NH1 2.82Å; P89-R205 PolarHBondContact O-NH2 3.04Å; C100-R205 HydrophobicContact CB-CG 4.12Å; E155-R205 IonicContact OE1-CZ 2.79Å; E155-R205 IonicContact OE1-NE 3.57Å; E155-R205 PolarHBondContact OE1-NE 2.66Å; E155-R205 IonicContact OE1-NH2 2.84Å; E155-R205 PolarHBondContact OE1-NH2 3.46Å; E155-R205 IonicContact OE2-CZ 2.79Å; E155-R205 IonicContact OE2-NE 2.68Å; E155-R205 PolarHBondContact OE2-NE 3.04Å; E155-R205 IonicContact OE2-NH2 3.26Å; L203-R205 HydrophobicContact CB-CB 4.47Å; L203-R205 HydrophobicContact CB-CG 4.22Å; R205-L207 PolarHBondContact O-N 3.09Å; R205-V210 HydrophobicContact CB-CG2 3.53Å; R205-V210 HydrophobicContact CG-CG2 4.5Å
206	E	97.6	Very high	98.3	Very high	110 Å²	110	32.2 Å²	32.2	51%	0.514	16%	0.159	S	C	.	.			trans	-68.3	120.6	174.2	-68.1	-178.1	-158.7	0	0	109.8	R208 K209 V210	E206-R208 HydrophobicContact CB-CG 4.35Å; E206-R208 PolarHBondContact O-N 3.26Å; E206-R208 VanDerWaalsContact O-N 3.13Å; E206-R208 IonicContact OE2-CZ 3.19Å; E206-R208 VanDerWaalsContact OE2-CZ 3.26Å; E206-R208 IonicContact OE2-NE 2.86Å; E206-R208 PolarHBondContact OE2-NE 2.89Å; E206-R208 IonicContact OE2-NH2 3.8Å; E206-R208 PolarHBondContact OE2-NH2 3.49Å; E206-K209 WeakPolarHBondContact O-CA 3.36Å; E206-K209 PolarHBondContact O-N 3.1Å; E206-V210 PolarHBondContact O-N 3.25Å
207	L	98.3	Very high	98.3	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.251	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-58.9	-30.9	-173.2	-68.2	177.1	0	0	0	114	L200 R205 K209 V210 N226 Y259	L200-L207 HydrophobicContact CB-CD2 3.7Å; R205-L207 PolarHBondContact O-N 3.09Å; L207-K209 PolarHBondContact O-N 3.38Å; L207-V210 PolarHBondContact O-N 2.85Å; L207-N226 PolarHBondContact O-ND2 3.3Å; L207-Y259 WeakPolarHBondContact CB-OH 3.42Å
208	R	98.2	Very high	98.3	Very high	106 Å²	106	35.4 Å²	35.4	40%	0.4	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-62.3	-10.3	172.9	68.5	177.8	175.7	152.6	0.4	114.2	E206 D257 V258 Y259	E206-R208 HydrophobicContact CB-CG 4.35Å; E206-R208 PolarHBondContact O-N 3.26Å; E206-R208 VanDerWaalsContact O-N 3.13Å; E206-R208 IonicContact OE2-CZ 3.19Å; E206-R208 VanDerWaalsContact OE2-CZ 3.26Å; E206-R208 IonicContact OE2-NE 2.86Å; E206-R208 PolarHBondContact OE2-NE 2.89Å; E206-R208 IonicContact OE2-NH2 3.8Å; E206-R208 PolarHBondContact OE2-NH2 3.49Å; R208-D257 HydrophobicContact CB-CB 4.5Å; R208-D257 WeakPolarHBondContact O-CA 3.43Å; R208-V258 WeakPolarHBondContact O-CG2 3.46Å; R208-V258 PolarHBondContact O-N 3.45Å; R208-Y259 HydrophobicContact CB-CD2 4.2Å; R208-Y259 HydrophobicContact CB-CE2 3.79Å
209	K	98.3	Very high	98.2	Very high	59 Å²	59	35.9 Å²	35.9	26%	0.257	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-118.6	11.5	176.8	-62.9	-163.6	171.3	-164.7	0	113	N99 C100 E206 L207	N99-K209 WeakPolarHBondContact CA-O 3.24Å; N99-K209 WeakPolarHBondContact CB-O 3.5Å; N99-K209 WeakPolarHBondContact OD1-CB 3.27Å; N99-K209 WeakPolarHBondContact OD1-CG 3.42Å; C100-K209 PolarHBondContact N-O 3.25Å; E206-K209 WeakPolarHBondContact O-CA 3.36Å; E206-K209 PolarHBondContact O-N 3.1Å; L207-K209 PolarHBondContact O-N 3.38Å
210	V	98.8	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.9	178.5	-179.5	0	0	0	0	109.5	C100 V102 L200 L203 R205 E206 L207 N226	C100-V210 HydrophobicContact CB-CG2 4.25Å; C100-V210 CarbonylContact O-C 3.55Å; C100-V210 WeakPolarHBondContact O-CA 3.4Å; V102-V210 HydrophobicContact CG2-CG1 4.44Å; L200-V210 HydrophobicContact CB-CG1 4.35Å; L200-V210 HydrophobicContact CD1-CG1 3.96Å; L200-V210 HydrophobicContact CD2-CG1 4.36Å; L200-V210 HydrophobicContact CG-CG1 4.46Å; L203-V210 HydrophobicContact CD1-CG1 3.87Å; R205-V210 HydrophobicContact CB-CG2 3.53Å; R205-V210 HydrophobicContact CG-CG2 4.5Å; E206-V210 PolarHBondContact O-N 3.25Å; L207-V210 PolarHBondContact O-N 2.85Å; V210-N226 PolarHBondContact O-ND2 3.11Å
211	I	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.8	172.1	-58.4	156.5	0	0	0	108	C100 V101 V102 F154 N226 V228 F249 L252 V258	C100-I211 PolarHBondContact O-N 3.15Å; V101-I211 CarbonylContact C-O 3.27Å; V101-I211 WeakPolarHBondContact CA-O 3.31Å; V101-I211 HydrophobicContact CG2-CB 4.27Å; V101-I211 HydrophobicContact CG2-CG2 4.42Å; V102-I211 PolarHBondContact N-O 3.48Å; F154-I211 HydrophobicContact CE1-CD1 3.92Å; F154-I211 HydrophobicContact CZ-CD1 4.44Å; I211-N226 CarbonylContact C-O 3.59Å; I211-N226 WeakPolarHBondContact CA-O 3.45Å; I211-V228 HydrophobicContact CG2-CB 4.5Å; I211-V228 HydrophobicContact CG2-CG2 3.74Å; I211-F249 HydrophobicContact CG2-CE1 3.99Å; I211-L252 HydrophobicContact CD1-CB 3.88Å; I211-L252 HydrophobicContact CD1-CD1 4.02Å; I211-L252 HydrophobicContact CD1-CG 4.42Å; I211-V258 HydrophobicContact CD1-CG1 3.89Å; I211-V258 HydrophobicContact CG1-CB 4.13Å; I211-V258 HydrophobicContact CG1-CG1 3.85Å; I211-V258 HydrophobicContact CG1-CG2 4.23Å
212	I	98.9	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.9	170.3	179.6	162.4	0	0	0	110.7	V102 K198 L200 D214 Y220 N226 A227 V228	V102-I212 HydrophobicContact CB-CB 4.21Å; V102-I212 HydrophobicContact CB-CG1 4.2Å; V102-I212 HydrophobicContact CG1-CD1 4.07Å; V102-I212 HydrophobicContact CG1-CG1 4.11Å; V102-I212 CarbonylContact O-C 3.57Å; V102-I212 WeakPolarHBondContact O-CA 3.19Å; K198-I212 HydrophobicContact CB-CD1 3.99Å; K198-I212 HydrophobicContact CD-CD1 3.82Å; L200-I212 HydrophobicContact CD1-CB 4.23Å; L200-I212 HydrophobicContact CD1-CG2 3.95Å; L200-I212 HydrophobicContact CD2-CB 4.28Å; L200-I212 HydrophobicContact CD2-CD1 4.12Å; I212-D214 HydrophobicContact CD1-CB 4.33Å; I212-D214 HydrophobicContact CG1-CB 4.07Å; I212-Y220 HydrophobicContact CG2-CD1 4.41Å; I212-Y220 HydrophobicContact CG2-CG 4.28Å; I212-N226 HydrophobicContact CG2-CB 4.45Å; I212-N226 PolarHBondContact N-O 3.2Å; I212-A227 HydrophobicContact CG2-CB 3.88Å; I212-A227 WeakPolarHBondContact O-CA 3.37Å; I212-V228 PolarHBondContact O-N 2.9Å
213	V	98.8	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.9	173.5	-166.4	0	0	0	0	107.9	V101 V102 D104 T108 V230 F249	V101-V213 HydrophobicContact CG2-CG2 3.91Å; V102-V213 PolarHBondContact O-N 3.41Å; D104-V213 WeakPolarHBondContact CB-O 3.42Å; D104-V213 PolarHBondContact N-O 3.28Å; T108-V213 HydrophobicContact CG2-CG1 4.42Å; V213-V230 HydrophobicContact CG1-CG1 3.54Å; V213-V230 HydrophobicContact CG1-CG2 4.37Å; V213-F249 HydrophobicContact CG2-CE1 3.99Å; V213-F249 HydrophobicContact CG2-CE2 4.18Å; V213-F249 HydrophobicContact CG2-CZ 3.33Å
214	D	98.8	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	138.4	-172.4	-163.8	-60.8	0	0	0	109	D104 K198 I212 S216 S219 Y220	D104-D214 HydrophobicContact CB-CB 4.1Å; K198-D214 VanDerWaalsContact CE-OD2 3.26Å; K198-D214 WeakPolarHBondContact CE-OD2 3.45Å; K198-D214 IonicContact NZ-OD2 2.85Å; K198-D214 PolarHBondContact NZ-OD2 3.2Å; I212-D214 HydrophobicContact CD1-CB 4.33Å; I212-D214 HydrophobicContact CG1-CB 4.07Å; D214-S216 VanDerWaalsContact C-N 3.27Å; D214-S216 PolarHBondContact O-N 2.92Å; D214-S216 WeakPolarHBondContact OD1-CA 3.19Å; D214-S216 WeakPolarHBondContact OD1-CB 3.3Å; D214-S216 PolarHBondContact OD1-N 2.84Å; D214-S219 WeakPolarHBondContact OD1-CB 3.39Å; D214-S219 PolarHBondContact OD1-OG 2.62Å; D214-S219 WeakPolarHBondContact OD2-CB 3.46Å; D214-S219 PolarHBondContact OD2-OG 3.03Å; D214-Y220 HydrophobicContact CB-CD1 3.82Å; D214-Y220 HydrophobicContact CB-CE1 3.92Å
215	N	98.6	Very high	98.3	Very high	28 Å²	28	42 Å²	42	15%	0.15	22%	0.215	C	C	.	.	S	Bend	trans	-76.7	-15.5	-179.9	71.6	-51.2	0	0	0	113	D104 E107 T108 V230 S232	D104-N215 PolarHBondContact OD2-OD1 3.31Å; E107-N215 WeakPolarHBondContact CB-ND2 3.11Å; T108-N215 PolarHBondContact OG1-N 2.84Å; T108-N215 PolarHBondContact OG1-OD1 3.34Å; N215-V230 WeakPolarHBondContact CA-O 3.36Å; N215-V230 HydrophobicContact CB-CG2 4.02Å; N215-S232 PolarHBondContact ND2-OG 3.48Å
216	S	97.9	Very high	98.3	Very high	42 Å²	42	40.2 Å²	40.2	29%	0.294	21%	0.208	S	C	.	.			trans	-110.4	112.1	-174.2	176.6	0	0	0	0	111.9	D214 A218 S219 Y220	D214-S216 VanDerWaalsContact C-N 3.27Å; D214-S216 PolarHBondContact O-N 2.92Å; D214-S216 WeakPolarHBondContact OD1-CA 3.19Å; D214-S216 WeakPolarHBondContact OD1-CB 3.3Å; D214-S216 PolarHBondContact OD1-N 2.84Å; S216-A218 PolarHBondContact O-N 3.39Å; S216-S219 WeakPolarHBondContact CB-OG 3.06Å; S216-S219 VanDerWaalsContact O-CB 3.24Å; S216-S219 WeakPolarHBondContact O-CB 3.29Å; S216-S219 PolarHBondContact O-N 3.43Å; S216-S219 PolarHBondContact O-OG 3.41Å; S216-Y220 WeakPolarHBondContact O-CE1 3.29Å
217	P	97.9	Very high	98.3	Very high	85 Å²	85	35.2 Å²	35.2	55%	0.552	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.6	174.6	-26.6	34.6	0	0	0	115.4	S219 Y220 I221	P217-S219 VanDerWaalsContact C-N 3.28Å; P217-S219 PolarHBondContact O-N 2.85Å; P217-Y220 VanDerWaalsContact CA-CZ 3.41Å; P217-Y220 HydrophobicContact CB-CE2 4.15Å; P217-I221 PolarHBondContact O-N 2.98Å
218	A	97.6	Very high	98.3	Very high	27 Å²	27	33 Å²	33	22%	0.223	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.6	175.1	0	0	0	0	0	111.9	N195 S216 Y220 I221	N195-A218 HydrophobicContact CB-CB 4.08Å; S216-A218 PolarHBondContact O-N 3.39Å; A218-Y220 VanDerWaalsContact C-N 3.29Å; A218-Y220 PolarHBondContact O-N 3.22Å; A218-I221 WeakPolarHBondContact O-CG2 3.38Å; A218-I221 PolarHBondContact O-N 3.28Å
219	S	98.3	Very high	98.3	Very high	11 Å²	11	31 Å²	31	8%	0.077	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.9	-178.7	-58	0	0	0	0	112.4	V197 K198 D214 S216 P217	V197-S219 CarbonylContact C-O 3.58Å; V197-S219 WeakPolarHBondContact CG1-O 3.42Å; K198-S219 PolarHBondContact N-O 3.15Å; D214-S219 WeakPolarHBondContact OD1-CB 3.39Å; D214-S219 PolarHBondContact OD1-OG 2.62Å; D214-S219 WeakPolarHBondContact OD2-CB 3.46Å; D214-S219 PolarHBondContact OD2-OG 3.03Å; S216-S219 WeakPolarHBondContact CB-OG 3.06Å; S216-S219 VanDerWaalsContact O-CB 3.24Å; S216-S219 WeakPolarHBondContact O-CB 3.29Å; S216-S219 PolarHBondContact O-N 3.43Å; S216-S219 PolarHBondContact O-OG 3.41Å; P217-S219 VanDerWaalsContact C-N 3.28Å; P217-S219 PolarHBondContact O-N 2.85Å
220	Y	98.3	Very high	98.3	Very high	19 Å²	19	28.7 Å²	28.7	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	25.9	-178.3	51	-101.5	0	0	0	113.1	I212 D214 S216 P217 A218 F222 H223 A227	I212-Y220 HydrophobicContact CG2-CD1 4.41Å; I212-Y220 HydrophobicContact CG2-CG 4.28Å; D214-Y220 HydrophobicContact CB-CD1 3.82Å; D214-Y220 HydrophobicContact CB-CE1 3.92Å; S216-Y220 WeakPolarHBondContact O-CE1 3.29Å; P217-Y220 VanDerWaalsContact CA-CZ 3.41Å; P217-Y220 HydrophobicContact CB-CE2 4.15Å; A218-Y220 VanDerWaalsContact C-N 3.29Å; A218-Y220 PolarHBondContact O-N 3.22Å; Y220-F222 PolarHBondContact O-N 3.34Å; Y220-H223 CarbonylContact O-C 3.55Å; Y220-H223 VanDerWaalsContact O-C 3.27Å; Y220-H223 PolarHBondContact O-N 2.85Å; Y220-A227 HydrophobicContact CD1-CB 4.07Å; Y220-A227 HydrophobicContact CD2-CB 3.52Å; Y220-A227 HydrophobicContact CE1-CB 4.1Å; Y220-A227 HydrophobicContact CE2-CB 3.54Å; Y220-A227 HydrophobicContact CG-CB 3.77Å
221	I	98.2	Very high	98.2	Very high	89 Å²	89	35.4 Å²	35.4	46%	0.456	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.3	-176.8	-165.3	169.4	0	0	0	114.1	V197 P217 A218	V197-I221 HydrophobicContact CB-CG2 4.47Å; V197-I221 HydrophobicContact CG1-CG2 3.84Å; V197-I221 HydrophobicContact CG2-CG2 3.73Å; P217-I221 PolarHBondContact O-N 2.98Å; A218-I221 WeakPolarHBondContact O-CG2 3.38Å; A218-I221 PolarHBondContact O-N 3.28Å
222	F	98.5	Very high	98.2	Very high	78 Å²	78	38 Å²	38	34%	0.342	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.3	175.5	-64.4	-19.6	0	0	0	114.2	H192 V197 D199 Y220	H192-F222 HydrophobicContact CB-CZ 4.14Å; H192-F222 AromaticContact CD2-CE1 3.95Å; H192-F222 AromaticContact CD2-CZ 4Å; H192-F222 AromaticContact CG-CZ 3.73Å; H192-F222 AromaticContact ND1-CZ 3.82Å; V197-F222 HydrophobicContact CB-CE2 4.43Å; V197-F222 HydrophobicContact CG1-CD2 3.66Å; V197-F222 HydrophobicContact CG1-CE2 3.89Å; V197-F222 HydrophobicContact CG1-CG 4.01Å; V197-F222 HydrophobicContact CG1-CZ 4.44Å; D199-F222 HydrophobicContact CB-CD2 4.13Å; Y220-F222 PolarHBondContact O-N 3.34Å
223	H	98.4	Very high	98.2	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.065	22%	0.216	C	C	.	.			trans	-138.4	51.9	-174	-54.4	-80.2	0	0	0	111.7	D199 L200 Y220 E225 N226	D199-H223 IonicContact OD1-CD2 3.92Å; D199-H223 IonicContact OD1-CE1 3.94Å; D199-H223 IonicContact OD1-NE2 3.74Å; D199-H223 PolarHBondContact OD1-NE2 3.14Å; L200-H223 HydrophobicContact CB-CB 4.48Å; L200-H223 HydrophobicContact CD1-CB 3.61Å; L200-H223 HydrophobicContact CG-CB 4.05Å; L200-H223 PolarHBondContact N-CD2 2.95Å; L200-H223 VanDerWaalsContact N-CD2 3.32Å; L200-H223 PolarHBondContact N-NE2 3.07Å; Y220-H223 CarbonylContact O-C 3.55Å; Y220-H223 VanDerWaalsContact O-C 3.27Å; Y220-H223 PolarHBondContact O-N 2.85Å; H223-E225 PolarHBondContact O-N 2.79Å; H223-E225 VanDerWaalsContact O-N 3.16Å; H223-N226 HydrophobicContact CB-CB 4.24Å; H223-N226 PolarHBondContact O-N 3.42Å
224	P	97.7	Very high	98.1	Very high	61 Å²	61	40.8 Å²	40.8	40%	0.396	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.4	-20.3	-176.6	27.9	-36.4	0	0	0	113.6	N226	P224-N226 VanDerWaalsContact C-N 3.32Å
225	E	97.8	Very high	98	Very high	67 Å²	67	46.5 Å²	46.5	31%	0.313	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-76.6	-13.5	174.4	65.1	-86.7	-163.1	0	0	115.3	H223 Y259 L262 R266	H223-E225 PolarHBondContact O-N 2.79Å; H223-E225 VanDerWaalsContact O-N 3.16Å; E225-Y259 HydrophobicContact CB-CD1 4.02Å; E225-Y259 HydrophobicContact CB-CE1 4.21Å; E225-Y259 HydrophobicContact CG-CD1 3.69Å; E225-Y259 HydrophobicContact CG-CE1 3.39Å; E225-L262 WeakPolarHBondContact O-CD1 3.47Å; E225-R266 VanDerWaalsContact CA-NH1 3.28Å
226	N	98.7	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-95.7	-3.7	175.7	-68.5	97.1	0	0	0	112.7	L200 L207 V210 I211 I212 H223 P224 Y259	L200-N226 HydrophobicContact CD1-CB 3.62Å; L207-N226 PolarHBondContact O-ND2 3.3Å; V210-N226 PolarHBondContact O-ND2 3.11Å; I211-N226 CarbonylContact C-O 3.59Å; I211-N226 WeakPolarHBondContact CA-O 3.45Å; I212-N226 HydrophobicContact CG2-CB 4.45Å; I212-N226 PolarHBondContact N-O 3.2Å; H223-N226 HydrophobicContact CB-CB 4.24Å; H223-N226 PolarHBondContact O-N 3.42Å; P224-N226 VanDerWaalsContact C-N 3.32Å; N226-Y259 WeakPolarHBondContact ND2-CE1 2.86Å
227	A	98.3	Very high	97.9	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.8	-169.5	0	0	0	0	0	113.3	I212 Y220	I212-A227 HydrophobicContact CG2-CB 3.88Å; I212-A227 WeakPolarHBondContact O-CA 3.37Å; Y220-A227 HydrophobicContact CD1-CB 4.07Å; Y220-A227 HydrophobicContact CD2-CB 3.52Å; Y220-A227 HydrophobicContact CE1-CB 4.1Å; Y220-A227 HydrophobicContact CE2-CB 3.54Å; Y220-A227 HydrophobicContact CG-CB 3.77Å
228	V	98.5	Very high	97.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	102	156.5	177	0	0	0	0	106.2	I211 I212 L245 L248 F249 L252 L262	I211-V228 HydrophobicContact CG2-CB 4.5Å; I211-V228 HydrophobicContact CG2-CG2 3.74Å; I212-V228 PolarHBondContact O-N 2.9Å; V228-L245 HydrophobicContact CG1-CD2 3.78Å; V228-L248 HydrophobicContact CG1-CD2 3.91Å; V228-L248 HydrophobicContact CG2-CD2 4.29Å; V228-F249 HydrophobicContact CB-CZ 4.08Å; V228-F249 HydrophobicContact CG1-CE2 4.37Å; V228-F249 HydrophobicContact CG1-CZ 4.07Å; V228-F249 HydrophobicContact CG2-CE1 4.3Å; V228-F249 HydrophobicContact CG2-CZ 4Å; V228-L252 HydrophobicContact CG2-CD1 4.06Å; V228-L262 HydrophobicContact CG2-CD2 3.52Å
229	P	97.4	Very high	97.9	Very high	65 Å²	65	53.7 Å²	53.7	42%	0.422	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	145.1	179.6	29.8	-34.1	0	0	0	110.1
230	V	97.8	Very high	97.9	Very high	11 Å²	11	56 Å²	56	7%	0.067	30%	0.3	C	S	.	.			trans	-129.4	154.7	172.3	-58.2	0	0	0	0	110.2	T108 V213 N215 E241 L245	T108-V230 HydrophobicContact CG2-CG2 4.11Å; V213-V230 HydrophobicContact CG1-CG1 3.54Å; V213-V230 HydrophobicContact CG1-CG2 4.37Å; N215-V230 WeakPolarHBondContact CA-O 3.36Å; N215-V230 HydrophobicContact CB-CG2 4.02Å; V230-E241 WeakPolarHBondContact CA-OE1 3.49Å; V230-L245 HydrophobicContact CG1-CD1 3.48Å; V230-L245 VanDerWaalsContact CG1-CD1 3.48Å
231	Q	97.9	Very high	97.9	Very high	141 Å²	141	56.8 Å²	56.8	66%	0.659	31%	0.305	S	S	*	.			trans	-71.9	144.8	171.7	-61.7	-179.5	46.1	0	0	110.2	R140 W233 E241	R140-Q231 PolarHBondContact NH1-O 3.05Å; R140-Q231 PolarHBondContact NH2-O 3.47Å; Q231-W233 PolarHBondContact O-N 2.68Å; Q231-E241 WeakPolarHBondContact CA-OE2 3.41Å; Q231-E241 VanDerWaalsContact CB-OE2 3.32Å; Q231-E241 WeakPolarHBondContact CB-OE2 3.32Å; Q231-E241 PolarHBondContact N-OE1 3Å; Q231-E241 PolarHBondContact N-OE2 3.15Å
232	S	98.5	Very high	98	Very high	55 Å²	55	52.6 Å²	52.6	39%	0.385	28%	0.283	S	S	.	.			trans	-67.4	127	171.7	-57.2	0	0	0	0	109.2	E107 N215	E107-S232 WeakPolarHBondContact O-CA 3.29Å; N215-S232 PolarHBondContact ND2-OG 3.48Å
233	W	98.6	Very high	98	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.015	28%	0.279	C	S	.	.			trans	-109	143.2	179.5	-178.3	86.4	0	0	0	111.8	E107 H111 L138 K139 R140 Q231 D236 M237	E107-W233 WeakPolarHBondContact CA-O 3.12Å; E107-W233 WeakPolarHBondContact CG-O 3.38Å; E107-W233 PolarHBondContact O-N 3.21Å; H111-W233 HydrophobicContact CB-CE3 3.87Å; H111-W233 HydrophobicContact CB-CZ3 3.73Å; L138-W233 HydrophobicContact CB-CH2 3.71Å; L138-W233 HydrophobicContact CB-CZ3 3.98Å; K139-W233 VanDerWaalsContact C-CH2 3.42Å; K139-W233 WeakPolarHBondContact O-CH2 3.44Å; R140-W233 HydrophobicContact CB-CD2 3.8Å; R140-W233 HydrophobicContact CB-CE3 3.76Å; R140-W233 HydrophobicContact CB-CG 4.24Å; R140-W233 HydrophobicContact CB-CZ3 4.13Å; R140-W233 HydrophobicContact CG-CB 4.14Å; R140-W233 HydrophobicContact CG-CD2 3.67Å; R140-W233 HydrophobicContact CG-CE3 4.16Å; R140-W233 HydrophobicContact CG-CG 3.63Å; Q231-W233 PolarHBondContact O-N 2.68Å; W233-D236 PolarHBondContact NE1-O 2.75Å; W233-M237 HydrophobicContact CZ2-SD 3.99Å
234	F	96.3	Very high	98	Very high	54 Å²	54	55.6 Å²	55.6	24%	0.237	30%	0.303	C	S	.	.	S	Bend	trans	-128.9	-60.9	-176.3	-61.2	-81.2	0	0	0	112.2	N3 E107 H111	N3-F234 HydrophobicContact CB-CD1 4.21Å; N3-F234 HydrophobicContact CB-CE1 3.88Å; N3-F234 HydrophobicContact CB-CZ 4.27Å; N3-F234 WeakPolarHBondContact O-CE1 3.43Å; N3-F234 VanDerWaalsContact O-CZ 3.32Å; N3-F234 WeakPolarHBondContact O-CZ 3.37Å; E107-F234 HydrophobicContact CG-CD1 4.02Å; E107-F234 HydrophobicContact CG-CE1 3.48Å; E107-F234 VanDerWaalsContact CG-CE1 3.48Å; E107-F234 HydrophobicContact CG-CZ 3.88Å; H111-F234 WeakPolarHBondContact CB-O 3.44Å; H111-F234 PolarHBondContact CD2-O 3.49Å; H111-F234 VanDerWaalsContact CD2-O 3.23Å; H111-F234 AromaticContact CE1-CD1 3.65Å; H111-F234 AromaticContact ND1-CD1 3.63Å
235	D	96	Very high	98	Very high	119 Å²	119	53.6 Å²	53.6	64%	0.636	29%	0.289	S	S	*	.	S	Bend	trans	-153.9	6.4	-174.6	59.8	-0.6	0	0	0	114.2	L138 M237	L138-D235 HydrophobicContact CD1-CB 4.24Å; D235-M237 PolarHBondContact O-N 3.36Å; D235-M237 VanDerWaalsContact O-N 3.09Å
236	D	97.6	Very high	98.1	Very high	82 Å²	82	51.2 Å²	51.2	44%	0.439	28%	0.278	S	S	.	.			trans	-75	101.1	179.2	-174.3	-0.9	0	0	0	110.9	W233 T238 D239	W233-D236 PolarHBondContact NE1-O 2.75Å; D236-T238 PolarHBondContact O-N 3.17Å; D236-T238 WeakPolarHBondContact OD1-CA 3.48Å; D236-T238 WeakPolarHBondContact OD1-CB 3.18Å; D236-T238 PolarHBondContact OD1-N 2.92Å; D236-T238 PolarHBondContact OD1-OG1 3.18Å; D236-T238 PolarHBondContact OD2-OG1 2.88Å; D236-D239 VanDerWaalsContact O-CB 3.26Å; D236-D239 WeakPolarHBondContact O-CB 3.45Å; D236-D239 PolarHBondContact O-N 2.93Å
237	M	96.8	Very high	98	Very high	114 Å²	114	55.2 Å²	55.2	56%	0.562	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.9	179	-59.1	-53.4	-61.6	0	0	113.9	P141 W233 D235	P141-M237 HydrophobicContact CG-CE 4.14Å; P141-M237 HydrophobicContact CG-SD 4.42Å; W233-M237 HydrophobicContact CZ2-SD 3.99Å; D235-M237 PolarHBondContact O-N 3.36Å; D235-M237 VanDerWaalsContact O-N 3.09Å
238	T	98.1	Very high	98	Very high	113 Å²	113	57.1 Å²	57.1	69%	0.693	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.2	172.1	69.8	0	0	0	0	113.3	D236	D236-T238 PolarHBondContact O-N 3.17Å; D236-T238 WeakPolarHBondContact OD1-CA 3.48Å; D236-T238 WeakPolarHBondContact OD1-CB 3.18Å; D236-T238 PolarHBondContact OD1-N 2.92Å; D236-T238 PolarHBondContact OD1-OG1 3.18Å; D236-T238 PolarHBondContact OD2-OG1 2.88Å
239	D	98.8	Very high	98	Very high	25 Å²	25	57 Å²	57	13%	0.134	31%	0.313	C	S	.	.			trans	-56.8	134.6	174.1	-175.1	-82.3	0	0	0	111.4	R140 P141 D236 E241	R140-D239 IonicContact CZ-OD1 3.81Å; R140-D239 IonicContact CZ-OD2 3.41Å; R140-D239 IonicContact NE-OD1 2.62Å; R140-D239 PolarHBondContact NE-OD1 3.12Å; R140-D239 IonicContact NE-OD2 3.27Å; R140-D239 IonicContact NH2-OD1 2.9Å; R140-D239 PolarHBondContact NH2-OD1 2.84Å; R140-D239 IonicContact NH2-OD2 3.58Å; R140-D239 PolarHBondContact NH2-OD2 3.41Å; P141-D239 VanDerWaalsContact CB-O 3.25Å; P141-D239 WeakPolarHBondContact CB-O 3.33Å; P141-D239 HydrophobicContact CG-CB 4.22Å; D236-D239 VanDerWaalsContact O-CB 3.26Å; D236-D239 WeakPolarHBondContact O-CB 3.45Å; D236-D239 PolarHBondContact O-N 2.93Å; D239-E241 PolarHBondContact OD1-N 2.89Å
240	T	98.7	Very high	98.1	Very high	60 Å²	60	57.1 Å²	57.1	37%	0.368	31%	0.308	S	S	.	.			trans	-123.9	8	176	57	0	0	0	0	112.3	L242 L243 D244	T240-L242 VanDerWaalsContact C-N 3.34Å; T240-L242 PolarHBondContact O-N 3.29Å; T240-L243 WeakPolarHBondContact O-CA 3.32Å; T240-L243 WeakPolarHBondContact O-CB 3.32Å; T240-L243 PolarHBondContact O-N 2.76Å; T240-D244 WeakPolarHBondContact CB-OD2 3.35Å; T240-D244 VanDerWaalsContact O-CG 3.25Å; T240-D244 PolarHBondContact O-N 2.96Å; T240-D244 PolarHBondContact OG1-OD2 2.95Å
241	E	98.6	Very high	98.1	Very high	35 Å²	35	58.1 Å²	58.1	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-42.2	-166.3	-170.3	172.9	-147.9	0	0	111.7	R140 V230 Q231 D239 L243 D244 L245	R140-E241 IonicContact CZ-OE2 2.88Å; R140-E241 IonicContact NH1-OE2 2.66Å; R140-E241 IonicContact NH2-OE2 2.74Å; R140-E241 PolarHBondContact NH2-OE2 3.44Å; V230-E241 WeakPolarHBondContact CA-OE1 3.49Å; Q231-E241 WeakPolarHBondContact CA-OE2 3.41Å; Q231-E241 VanDerWaalsContact CB-OE2 3.32Å; Q231-E241 WeakPolarHBondContact CB-OE2 3.32Å; Q231-E241 PolarHBondContact N-OE1 3Å; Q231-E241 PolarHBondContact N-OE2 3.15Å; D239-E241 PolarHBondContact OD1-N 2.89Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-L243 PolarHBondContact O-N 3.02Å; E241-D244 PolarHBondContact O-N 3.4Å; E241-L245 HydrophobicContact CG-CD1 4.17Å; E241-L245 HydrophobicContact CG-CG 4.47Å; E241-L245 WeakPolarHBondContact O-CB 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.27Å
242	L	98.8	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-38.3	176.5	-64.5	-173.1	0	0	0	112.5	L109 R140 V143 F146 T240	L109-L242 HydrophobicContact CD2-CD1 4.21Å; R140-L242 HydrophobicContact CB-CD1 4.05Å; R140-L242 HydrophobicContact CG-CD1 3.93Å; R140-L242 HydrophobicContact CG-CG 4.24Å; V143-L242 HydrophobicContact CB-CD1 3.87Å; V143-L242 HydrophobicContact CG2-CD1 4.09Å; F146-L242 HydrophobicContact CB-CB 4.03Å; F146-L242 HydrophobicContact CD1-CD2 4.34Å; F146-L242 HydrophobicContact CD2-CB 4.24Å; F146-L242 VanDerWaalsContact CD2-O 3.29Å; F146-L242 WeakPolarHBondContact CD2-O 3.42Å; F146-L242 HydrophobicContact CE1-CD2 4.39Å; F146-L242 HydrophobicContact CG-CB 4.1Å; F146-L242 HydrophobicContact CG-CD2 4.41Å; T240-L242 VanDerWaalsContact C-N 3.34Å; T240-L242 PolarHBondContact O-N 3.29Å
243	L	98.7	Very high	98.1	Very high	51 Å²	51	50.2 Å²	50.2	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-66.3	-46	175.8	-178.1	66.5	0	0	0	110.9	H142 T240 E241 L245 I246	H142-L243 HydrophobicContact CB-CB 3.89Å; T240-L243 WeakPolarHBondContact O-CA 3.32Å; T240-L243 WeakPolarHBondContact O-CB 3.32Å; T240-L243 PolarHBondContact O-N 2.76Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-L243 PolarHBondContact O-N 3.02Å; L243-L245 PolarHBondContact O-N 2.84Å; L243-I246 HydrophobicContact CD1-CD1 4.24Å; L243-I246 WeakPolarHBondContact O-CB 3.33Å; L243-I246 PolarHBondContact O-N 2.86Å; L243-I246 VanDerWaalsContact O-N 3.15Å
244	D	98.3	Very high	98	Very high	104 Å²	104	57.6 Å²	57.6	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-67.5	-22.7	-177.4	-64.8	-31.8	0	0	0	112.6	T240 E241 P247	T240-D244 WeakPolarHBondContact CB-OD2 3.35Å; T240-D244 VanDerWaalsContact O-CG 3.25Å; T240-D244 PolarHBondContact O-N 2.96Å; T240-D244 PolarHBondContact OG1-OD2 2.95Å; E241-D244 PolarHBondContact O-N 3.4Å; D244-P247 WeakPolarHBondContact O-CD 3.41Å
245	L	98.3	Very high	98.1	Very high	20 Å²	20	59.2 Å²	59.2	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-78.6	-21	175	-73.6	170.3	0	0	0	113.8	F146 V228 V230 E241 L243 L248 F249	F146-L245 HydrophobicContact CE2-CB 4.4Å; V228-L245 HydrophobicContact CG1-CD2 3.78Å; V230-L245 HydrophobicContact CG1-CD1 3.48Å; V230-L245 VanDerWaalsContact CG1-CD1 3.48Å; E241-L245 HydrophobicContact CG-CD1 4.17Å; E241-L245 HydrophobicContact CG-CG 4.47Å; E241-L245 WeakPolarHBondContact O-CB 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.27Å; L243-L245 PolarHBondContact O-N 2.84Å; L245-L248 HydrophobicContact CD2-CD2 3.96Å; L245-L248 WeakPolarHBondContact O-CB 3.48Å; L245-L248 PolarHBondContact O-N 2.85Å; L245-L248 VanDerWaalsContact O-N 3.1Å; L245-F249 HydrophobicContact CB-CD2 4.01Å; L245-F249 HydrophobicContact CB-CE2 3.95Å; L245-F249 HydrophobicContact CD1-CE2 4.47Å; L245-F249 VanDerWaalsContact O-CD2 3.28Å; L245-F249 WeakPolarHBondContact O-CD2 3.27Å; L245-F249 PolarHBondContact O-N 2.7Å
246	I	98.8	Very high	98	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-55.7	-49.1	-176.9	-69.8	174	0	0	0	112.2	E145 F146 K149 L243 L248 F249 E250	E145-I246 HydrophobicContact CG-CD1 4.01Å; F146-I246 HydrophobicContact CD2-CG1 4.06Å; K149-I246 HydrophobicContact CB-CD1 4.48Å; K149-I246 HydrophobicContact CG-CG2 3.77Å; L243-I246 HydrophobicContact CD1-CD1 4.24Å; L243-I246 WeakPolarHBondContact O-CB 3.33Å; L243-I246 PolarHBondContact O-N 2.86Å; L243-I246 VanDerWaalsContact O-N 3.15Å; I246-L248 VanDerWaalsContact C-N 3.25Å; I246-L248 PolarHBondContact O-N 2.83Å; I246-F249 PolarHBondContact O-N 2.66Å; I246-F249 VanDerWaalsContact O-N 3.09Å; I246-E250 HydrophobicContact CG2-CG 4.34Å; I246-E250 PolarHBondContact O-N 3.22Å
247	P	98.3	Very high	98	Very high	84 Å²	84	59.7 Å²	59.7	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-32.6	178.8	-24.4	35.1	0	0	0	113.6	D244 G251	D244-P247 WeakPolarHBondContact O-CD 3.41Å; P247-G251 PolarHBondContact O-N 3.06Å
248	L	97.4	Very high	98	Very high	44 Å²	44	54.2 Å²	54.2	23%	0.23	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-48.2	173.8	170.8	67.1	0	0	0	110.3	V228 L245 I246 E250 G251 L252 L265	V228-L248 HydrophobicContact CG1-CD2 3.91Å; V228-L248 HydrophobicContact CG2-CD2 4.29Å; L245-L248 HydrophobicContact CD2-CD2 3.96Å; L245-L248 WeakPolarHBondContact O-CB 3.48Å; L245-L248 PolarHBondContact O-N 2.85Å; L245-L248 VanDerWaalsContact O-N 3.1Å; I246-L248 VanDerWaalsContact C-N 3.25Å; I246-L248 PolarHBondContact O-N 2.83Å; L248-E250 VanDerWaalsContact C-N 3.34Å; L248-E250 PolarHBondContact O-N 2.9Å; L248-G251 WeakPolarHBondContact O-CA 3.16Å; L248-G251 PolarHBondContact O-N 2.78Å; L248-L252 HydrophobicContact CD1-CD1 4.06Å; L248-L252 HydrophobicContact CD1-CG 4.19Å; L248-L252 HydrophobicContact CD2-CD1 4.4Å; L248-L252 HydrophobicContact CG-CD1 3.87Å; L248-L252 HydrophobicContact CG-CG 4.38Å; L248-L252 WeakPolarHBondContact O-CG 3.12Å; L248-L252 PolarHBondContact O-N 3.23Å; L248-L265 HydrophobicContact CD1-CD1 3.65Å; L248-L265 HydrophobicContact CD2-CD1 3.49Å; L248-L265 VanDerWaalsContact CD2-CD1 3.49Å; L248-L265 HydrophobicContact CG-CD1 4.2Å
249	F	98.6	Very high	98	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-34	179.1	-81.4	-65	0	0	0	113	V101 F146 M150 F154 I211 V213 V228 L245 I246 G251 L252 S253	V101-F249 HydrophobicContact CG2-CE1 4.17Å; F146-F249 AromaticContact CE2-CD2 3.89Å; F146-F249 HydrophobicContact CE2-CD2 3.89Å; F146-F249 AromaticContact CE2-CE2 3.96Å; F146-F249 HydrophobicContact CE2-CE2 3.96Å; F146-F249 HydrophobicContact CZ-CD2 4.42Å; F146-F249 HydrophobicContact CZ-CE2 4.17Å; M150-F249 HydrophobicContact CE-CB 4.28Å; M150-F249 HydrophobicContact CE-CD1 3.47Å; M150-F249 VanDerWaalsContact CE-CD1 3.47Å; M150-F249 HydrophobicContact CE-CD2 4.09Å; M150-F249 HydrophobicContact CE-CE1 3.77Å; M150-F249 HydrophobicContact CE-CE2 4.37Å; M150-F249 HydrophobicContact CE-CG 3.67Å; M150-F249 HydrophobicContact CE-CZ 4.25Å; M150-F249 HydrophobicContact SD-CB 3.67Å; M150-F249 HydrophobicContact SD-CD1 3.98Å; M150-F249 HydrophobicContact SD-CD2 3.78Å; M150-F249 HydrophobicContact SD-CE2 4.49Å; M150-F249 HydrophobicContact SD-CG 3.52Å; M150-F249 VanDerWaalsContact SD-CG 3.52Å; F154-F249 HydrophobicContact CE2-CB 3.91Å; F154-F249 AromaticContact CE2-CD1 3.87Å; F154-F249 HydrophobicContact CE2-CD1 3.87Å; F154-F249 HydrophobicContact CE2-CG 4.29Å; F154-F249 HydrophobicContact CZ-CB 4.3Å; F154-F249 AromaticContact CZ-CD1 3.88Å; F154-F249 HydrophobicContact CZ-CD1 3.88Å; F154-F249 VanDerWaalsContact CZ-O 3.27Å; F154-F249 WeakPolarHBondContact CZ-O 3.49Å; I211-F249 HydrophobicContact CG2-CE1 3.99Å; V213-F249 HydrophobicContact CG2-CE1 3.99Å; V213-F249 HydrophobicContact CG2-CE2 4.18Å; V213-F249 HydrophobicContact CG2-CZ 3.33Å; V228-F249 HydrophobicContact CB-CZ 4.08Å; V228-F249 HydrophobicContact CG1-CE2 4.37Å; V228-F249 HydrophobicContact CG1-CZ 4.07Å; V228-F249 HydrophobicContact CG2-CE1 4.3Å; V228-F249 HydrophobicContact CG2-CZ 4Å; L245-F249 HydrophobicContact CB-CD2 4.01Å; L245-F249 HydrophobicContact CB-CE2 3.95Å; L245-F249 HydrophobicContact CD1-CE2 4.47Å; L245-F249 VanDerWaalsContact O-CD2 3.28Å; L245-F249 WeakPolarHBondContact O-CD2 3.27Å; L245-F249 PolarHBondContact O-N 2.7Å; I246-F249 PolarHBondContact O-N 2.66Å; I246-F249 VanDerWaalsContact O-N 3.09Å; F249-G251 PolarHBondContact O-N 3.27Å; F249-L252 HydrophobicContact CD1-CD1 4.21Å; F249-L252 HydrophobicContact CE1-CD1 4.28Å; F249-L252 PolarHBondContact O-N 3.48Å; F249-S253 WeakPolarHBondContact O-CB 3.2Å; F249-S253 PolarHBondContact O-N 2.97Å; F249-S253 PolarHBondContact O-OG 3.13Å
250	E	98.6	Very high	97.7	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-26.5	170.2	-72.8	-168.7	141.9	0	0	113.7	K149 L153 I246 L248 S253 K254	K149-E250 WeakPolarHBondContact CE-OE1 3.49Å; K149-E250 IonicContact NZ-OE1 3.92Å; K149-E250 PolarHBondContact NZ-OE1 3.08Å; L153-E250 HydrophobicContact CD1-CG 3.96Å; I246-E250 HydrophobicContact CG2-CG 4.34Å; I246-E250 PolarHBondContact O-N 3.22Å; L248-E250 VanDerWaalsContact C-N 3.34Å; L248-E250 PolarHBondContact O-N 2.9Å; E250-S253 PolarHBondContact O-OG 3.22Å; E250-K254 WeakPolarHBondContact O-CD 3.15Å; E250-K254 WeakPolarHBondContact O-CE 3.29Å; E250-K254 PolarHBondContact O-NZ 2.76Å
251	G	98.1	Very high	97.5	Very high	31 Å²	31	53.3 Å²	53.3	32%	0.32	28%	0.284	S	S	.	.	H	α-helix	trans	-75.3	-54.5	170.5	0	0	0	0	0	111	P247 L248 F249 S253 K254	P247-G251 PolarHBondContact O-N 3.06Å; L248-G251 WeakPolarHBondContact O-CA 3.16Å; L248-G251 PolarHBondContact O-N 2.78Å; F249-G251 PolarHBondContact O-N 3.27Å; G251-S253 PolarHBondContact O-N 2.95Å; G251-K254 PolarHBondContact O-N 3.48Å
252	L	98.1	Very high	97.3	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-28.4	-177.5	-69.7	172.5	0	0	0	113.7	N99 F154 I211 V228 L248 F249 K254 E255 P261 L262	N99-L252 PolarHBondContact ND2-O 3.31Å; N99-L252 VanDerWaalsContact ND2-O 3.09Å; F154-L252 HydrophobicContact CZ-CB 4.36Å; I211-L252 HydrophobicContact CD1-CB 3.88Å; I211-L252 HydrophobicContact CD1-CD1 4.02Å; I211-L252 HydrophobicContact CD1-CG 4.42Å; V228-L252 HydrophobicContact CG2-CD1 4.06Å; L248-L252 HydrophobicContact CD1-CD1 4.06Å; L248-L252 HydrophobicContact CD1-CG 4.19Å; L248-L252 HydrophobicContact CD2-CD1 4.4Å; L248-L252 HydrophobicContact CG-CD1 3.87Å; L248-L252 HydrophobicContact CG-CG 4.38Å; L248-L252 WeakPolarHBondContact O-CG 3.12Å; L248-L252 PolarHBondContact O-N 3.23Å; F249-L252 HydrophobicContact CD1-CD1 4.21Å; F249-L252 HydrophobicContact CE1-CD1 4.28Å; F249-L252 PolarHBondContact O-N 3.48Å; L252-K254 PolarHBondContact O-N 2.8Å; L252-E255 PolarHBondContact O-N 3.27Å; L252-P261 HydrophobicContact CD2-CB 3.79Å; L252-P261 HydrophobicContact CD2-CG 3.58Å; L252-L262 HydrophobicContact CD1-CD2 3.95Å; L252-L262 HydrophobicContact CD2-CD2 4.1Å; L252-L262 HydrophobicContact CD2-CG 4.2Å
253	S	98.3	Very high	96.9	Very high	29 Å²	29	56.8 Å²	56.8	20%	0.203	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.5	177.6	67.6	0	0	0	0	113.8	F249 E250 G251	F249-S253 WeakPolarHBondContact O-CB 3.2Å; F249-S253 PolarHBondContact O-N 2.97Å; F249-S253 PolarHBondContact O-OG 3.13Å; E250-S253 PolarHBondContact O-OG 3.22Å; G251-S253 PolarHBondContact O-N 2.95Å
254	K	97.5	Very high	96.4	Very high	159 Å²	159	56.8 Å²	56.8	69%	0.691	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.8	-178.4	-61.8	165.9	-172.7	147.5	0	113	E250 G251 L252	E250-K254 WeakPolarHBondContact O-CD 3.15Å; E250-K254 WeakPolarHBondContact O-CE 3.29Å; E250-K254 PolarHBondContact O-NZ 2.76Å; G251-K254 PolarHBondContact O-N 3.48Å; L252-K254 PolarHBondContact O-N 2.8Å
255	E	97.3	Very high	95.9	Very high	87 Å²	87	54.3 Å²	54.3	41%	0.407	29%	0.294	S	S	.	.			trans	-89.4	134.6	-173.9	-61.9	-68.6	161.1	0	0	110.5	N99 L252 D257 P261	N99-E255 PolarHBondContact ND2-O 2.7Å; L252-E255 PolarHBondContact O-N 3.27Å; E255-D257 VanDerWaalsContact C-N 3.32Å; E255-P261 HydrophobicContact CB-CG 4.48Å; E255-P261 HydrophobicContact CG-CG 4.07Å
256	E	95.1	Very high	95.2	Very high	150 Å²	150	58.5 Å²	58.5	70%	0.701	31%	0.309	S	S	*	.	S	Bend	trans	-79.5	-19.8	174.1	-64.6	-168.8	168.9	0	0	112.7
257	D	96.8	Very high	94.3	Very high	61 Å²	61	63.9 Å²	63.9	33%	0.326	34%	0.337	S	S	.	.			trans	-138.8	112.7	177.4	-173.1	-31.6	0	0	0	109.9	R208 E255 Y259 P261	R208-D257 HydrophobicContact CB-CB 4.5Å; R208-D257 WeakPolarHBondContact O-CA 3.43Å; E255-D257 VanDerWaalsContact C-N 3.32Å; D257-Y259 VanDerWaalsContact C-N 3.32Å; D257-Y259 PolarHBondContact O-N 2.62Å; D257-Y259 VanDerWaalsContact OD1-CB 3.29Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.44Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.41Å; D257-Y259 PolarHBondContact OD1-N 2.9Å; D257-P261 WeakPolarHBondContact O-CD 3.25Å
258	V	97.3	Very high	92.7	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.36	C	S	.	.	S	Bend	trans	-77.3	-13.4	-175.6	-55.6	0	0	0	0	113.5	R208 I211 S260 P261 L262	R208-V258 WeakPolarHBondContact O-CG2 3.46Å; R208-V258 PolarHBondContact O-N 3.45Å; I211-V258 HydrophobicContact CD1-CG1 3.89Å; I211-V258 HydrophobicContact CG1-CB 4.13Å; I211-V258 HydrophobicContact CG1-CG1 3.85Å; I211-V258 HydrophobicContact CG1-CG2 4.23Å; V258-S260 PolarHBondContact O-N 3.44Å; V258-P261 VanDerWaalsContact O-CD 3.31Å; V258-P261 WeakPolarHBondContact O-CD 3.35Å; V258-P261 VanDerWaalsContact O-CG 3.29Å; V258-P261 WeakPolarHBondContact O-CG 3.06Å; V258-L262 HydrophobicContact CB-CD1 4.03Å; V258-L262 HydrophobicContact CG2-CD1 3.92Å; V258-L262 VanDerWaalsContact O-CB 3.29Å; V258-L262 WeakPolarHBondContact O-CB 3.26Å; V258-L262 WeakPolarHBondContact O-CD1 3.42Å; V258-L262 WeakPolarHBondContact O-CG 3.48Å; V258-L262 PolarHBondContact O-N 3.05Å; V258-L262 VanDerWaalsContact O-N 3.12Å
259	Y	97	Very high	92.5	Very high	63 Å²	63	74.3 Å²	74.3	25%	0.247	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-41.7	-173.1	-63.8	-50	0	0	0	113	L207 R208 E225 N226 D257 Q263	L207-Y259 WeakPolarHBondContact CB-OH 3.42Å; R208-Y259 HydrophobicContact CB-CD2 4.2Å; R208-Y259 HydrophobicContact CB-CE2 3.79Å; E225-Y259 HydrophobicContact CB-CD1 4.02Å; E225-Y259 HydrophobicContact CB-CE1 4.21Å; E225-Y259 HydrophobicContact CG-CD1 3.69Å; E225-Y259 HydrophobicContact CG-CE1 3.39Å; N226-Y259 WeakPolarHBondContact ND2-CE1 2.86Å; D257-Y259 VanDerWaalsContact C-N 3.32Å; D257-Y259 PolarHBondContact O-N 2.62Å; D257-Y259 VanDerWaalsContact OD1-CB 3.29Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.44Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.41Å; D257-Y259 PolarHBondContact OD1-N 2.9Å; Y259-Q263 VanDerWaalsContact O-CB 3.23Å; Y259-Q263 WeakPolarHBondContact O-CB 3.42Å; Y259-Q263 PolarHBondContact O-N 2.87Å
260	S	93.5	Very high	92.2	Very high	83 Å²	83	78.2 Å²	78.2	58%	0.58	39%	0.386	S	S	*	.	H	α-helix	trans	-61.4	-53.9	179.5	-64.8	0	0	0	0	112.8	V258 L262 Q263 A264	V258-S260 PolarHBondContact O-N 3.44Å; S260-L262 PolarHBondContact O-N 3.25Å; S260-Q263 PolarHBondContact O-N 2.89Å; S260-A264 PolarHBondContact O-N 2.99Å; S260-A264 VanDerWaalsContact O-N 3.09Å
261	P	93.8	Very high	91.8	Very high	33 Å²	33	78.8 Å²	78.8	21%	0.214	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-37.7	177.8	25.6	-35.8	0	0	0	112.8	L252 E255 D257 V258 Q263 A264 L265	L252-P261 HydrophobicContact CD2-CB 3.79Å; L252-P261 HydrophobicContact CD2-CG 3.58Å; E255-P261 HydrophobicContact CB-CG 4.48Å; E255-P261 HydrophobicContact CG-CG 4.07Å; D257-P261 WeakPolarHBondContact O-CD 3.25Å; V258-P261 VanDerWaalsContact O-CD 3.31Å; V258-P261 WeakPolarHBondContact O-CD 3.35Å; V258-P261 VanDerWaalsContact O-CG 3.29Å; V258-P261 WeakPolarHBondContact O-CG 3.06Å; P261-Q263 PolarHBondContact O-N 2.68Å; P261-A264 WeakPolarHBondContact O-CB 3.38Å; P261-A264 PolarHBondContact O-N 3.35Å; P261-L265 PolarHBondContact O-N 3.09Å
262	L	94.5	Very high	91.4	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-69.2	-32.2	176.9	-67.5	176.8	0	0	0	112.6	E225 V228 L252 V258 S260 L265 R266	E225-L262 WeakPolarHBondContact O-CD1 3.47Å; V228-L262 HydrophobicContact CG2-CD2 3.52Å; L252-L262 HydrophobicContact CD1-CD2 3.95Å; L252-L262 HydrophobicContact CD2-CD2 4.1Å; L252-L262 HydrophobicContact CD2-CG 4.2Å; V258-L262 HydrophobicContact CB-CD1 4.03Å; V258-L262 HydrophobicContact CG2-CD1 3.92Å; V258-L262 VanDerWaalsContact O-CB 3.29Å; V258-L262 WeakPolarHBondContact O-CB 3.26Å; V258-L262 WeakPolarHBondContact O-CD1 3.42Å; V258-L262 WeakPolarHBondContact O-CG 3.48Å; V258-L262 PolarHBondContact O-N 3.05Å; V258-L262 VanDerWaalsContact O-N 3.12Å; S260-L262 PolarHBondContact O-N 3.25Å; L262-L265 PolarHBondContact O-N 3.23Å; L262-R266 WeakPolarHBondContact O-CG 3.37Å; L262-R266 PolarHBondContact O-N 2.65Å; L262-R266 PolarHBondContact O-NE 3.34Å; L262-R266 VanDerWaalsContact O-NE 3.15Å
263	Q	91.7	Very high	91	Very high	107 Å²	107	86.6 Å²	86.6	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-41.8	170	-170.1	175.8	23.1	0	0	111.9	Y259 S260 P261 L265 R266 N267	Y259-Q263 VanDerWaalsContact O-CB 3.23Å; Y259-Q263 WeakPolarHBondContact O-CB 3.42Å; Y259-Q263 PolarHBondContact O-N 2.87Å; S260-Q263 PolarHBondContact O-N 2.89Å; P261-Q263 PolarHBondContact O-N 2.68Å; Q263-L265 VanDerWaalsContact C-N 3.29Å; Q263-L265 PolarHBondContact O-N 3.23Å; Q263-R266 PolarHBondContact O-N 3.43Å; Q263-N267 PolarHBondContact O-N 2.92Å; Q263-N267 PolarHBondContact O-ND2 3.17Å
264	A	88.3	Confident	90.5	Very high	51 Å²	51	90.5 Å²	90.5	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-36.3	176.5	0	0	0	0	0	112.3	S260 P261 N267	S260-A264 PolarHBondContact O-N 2.99Å; S260-A264 VanDerWaalsContact O-N 3.09Å; P261-A264 WeakPolarHBondContact O-CB 3.38Å; P261-A264 PolarHBondContact O-N 3.35Å; A264-N267 PolarHBondContact O-N 2.9Å
265	L	86.3	Confident	90	Very high	53 Å²	53	85.6 Å²	85.6	28%	0.277	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-43	175.7	-171.8	120.3	0	0	0	112.3	L248 P261 L262 Q263 N267 R268	L248-L265 HydrophobicContact CD1-CD1 3.65Å; L248-L265 HydrophobicContact CD2-CD1 3.49Å; L248-L265 VanDerWaalsContact CD2-CD1 3.49Å; L248-L265 HydrophobicContact CG-CD1 4.2Å; P261-L265 PolarHBondContact O-N 3.09Å; L262-L265 PolarHBondContact O-N 3.23Å; Q263-L265 VanDerWaalsContact C-N 3.29Å; Q263-L265 PolarHBondContact O-N 3.23Å; L265-N267 PolarHBondContact O-N 2.86Å; L265-R268 PolarHBondContact O-N 3.42Å
266	R	84.3	Confident	89.5	Confident	108 Å²	108	85.5 Å²	85.5	41%	0.408	42%	0.415	S	S	.	.	H	α-helix	trans	-68.4	-19.3	-179.7	-71.3	175.4	-66.7	178.3	0.9	114.6	E225 L262 Q263	E225-R266 VanDerWaalsContact CA-NH1 3.28Å; L262-R266 WeakPolarHBondContact O-CG 3.37Å; L262-R266 PolarHBondContact O-N 2.65Å; L262-R266 PolarHBondContact O-NE 3.34Å; L262-R266 VanDerWaalsContact O-NE 3.15Å; Q263-R266 PolarHBondContact O-N 3.43Å
267	N	78.9	Confident	89	Confident	129 Å²	129	80.1 Å²	80.1	69%	0.69	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	0.3	-178.3	-68.4	-23.5	0	0	0	113.4	Q263 A264 L265	Q263-N267 PolarHBondContact O-N 2.92Å; Q263-N267 PolarHBondContact O-ND2 3.17Å; A264-N267 PolarHBondContact O-N 2.9Å; L265-N267 PolarHBondContact O-N 2.86Å
268	R	65.8	Low	88.3	Confident	273 Å²	273	81.8 Å²	81.8	100%	1.03	40%	0.397	S	S	*	.			trans	-91.2	0	174.3	-69.3	-179.8	178.8	-173.8	0.9	110.5	L265	L265-R268 PolarHBondContact O-N 3.42Å

Retrieved 268 of 268 residues in 106.8 ms (Link to these results)

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