A0A096MRZ6_PAPAN Loading...

Sodium/potassium-transporting ATPase subunit beta

Involved in cell adhesion and establishing epithelial cell polarity. This is the non-catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of Na(+) and K(+) ions across the plasma membrane. The beta subunit regulates, through assembly of alpha/beta heterodimers, the number of sodium pumps transported to the plasma membrane. Plays a role in innate immunity by enhancing virus-triggered induction of interferons (IFNs) and interferon stimulated genes (ISGs). Mechanistically, enhances the ubiquitination of TRAF3 and TRAF6 as well as the phosphorylation of TAK1 and TBK1.

AlphaFold DB , UniProt , Accession A0A096MRZ6, Species PAPAN (Papio anubis, Olive baboon), Gene ATP1B1, Length 303 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	51.6	Low	242 Å²	242	147.6 Å²	147.6	100%	1.192	81%	0.807	S	S	*	*				0	119.3	0	-70.1	177.3	-164.4	0	0	108.6	R3	M1-R3 PolarHBondContact O-N 3.11Å
2	A	45.3	Very low	52.9	Low	109 Å²	109	152.4 Å²	152.4	90%	0.901	80%	0.804	S	S	*	*			trans	-64.9	113.1	-171.7	0	0	0	0	0	111.7
3	R	46.9	Very low	54.2	Low	218 Å²	218	153.8 Å²	153.8	82%	0.823	80%	0.8	S	S	*	*			trans	-98.4	80	167.1	-160.4	174.9	-177	172.2	1.3	108	M1 K5	M1-R3 PolarHBondContact O-N 3.11Å; R3-K5 PolarHBondContact O-N 3.47Å
4	G	48.1	Very low	55	Low	77 Å²	77	151.2 Å²	151.2	79%	0.794	78%	0.779	S	S	*	*			trans	-66.1	97.3	174.6	0	0	0	0	0	110.8
5	K	53.8	Low	55.9	Low	182 Å²	182	148.9 Å²	148.9	79%	0.791	76%	0.761	S	S	*	*			trans	-100.8	68.5	158.5	-79.7	-171.4	176.6	-179.2	0	108.2	R3	R3-K5 PolarHBondContact O-N 3.47Å
6	A	50.5	Low	57.2	Low	82 Å²	82	143.8 Å²	143.8	68%	0.678	74%	0.735	S	S	*	*			trans	-93.6	118.1	165.2	0	0	0	0	0	107.8	E8	A6-E8 VanDerWaalsContact C-N 3.27Å; A6-E8 PolarHBondContact O-N 3.04Å; A6-E8 VanDerWaalsContact O-N 3.14Å
7	K	56.3	Low	58.4	Low	204 Å²	204	143.4 Å²	143.4	89%	0.887	72%	0.722	S	S	*	*			trans	-75.1	89.4	160	-106.4	-175.5	172.7	-176.3	0	105.6	E9	K7-E9 PolarHBondContact O-N 3.14Å
8	E	52.3	Low	59.4	Low	181 Å²	181	136.9 Å²	136.9	85%	0.846	69%	0.69	S	S	*	*			trans	-70	123.8	165.3	-77.3	-166.6	160.4	0	0	108.4	A6 G10	A6-E8 VanDerWaalsContact C-N 3.27Å; A6-E8 PolarHBondContact O-N 3.04Å; A6-E8 VanDerWaalsContact O-N 3.14Å; E8-G10 VanDerWaalsContact C-N 3.3Å; E8-G10 PolarHBondContact O-N 2.85Å
9	E	52.8	Low	60.1	Low	204 Å²	204	134.4 Å²	134.4	95%	0.953	69%	0.687	S	S	*	*			trans	-67.7	85.3	177.5	-67.6	-170.1	154.8	0	0	110.2	K7	K7-E9 PolarHBondContact O-N 3.14Å
10	G	55.7	Low	60.7	Low	41 Å²	41	135.6 Å²	135.6	42%	0.423	69%	0.689	S	S	.	*			trans	-84.5	135.4	170	0	0	0	0	0	111.5	E8	E8-G10 VanDerWaalsContact C-N 3.3Å; E8-G10 PolarHBondContact O-N 2.85Å
11	S	65.6	Low	61.1	Low	84 Å²	84	135.7 Å²	135.7	59%	0.587	69%	0.685	S	S	*	*			trans	-23.7	137.5	167.2	178	0	0	0	0	114	K13 K14 F15	S11-K13 CarbonylContact O-C 3.4Å; S11-K13 PolarHBondContact O-N 2.85Å; S11-K14 WeakPolarHBondContact O-CA 3.5Å; S11-K14 WeakPolarHBondContact O-CB 3.46Å; S11-K14 PolarHBondContact O-N 2.93Å; S11-F15 PolarHBondContact O-N 3.14Å
12	W	67.1	Low	62.7	Low	205 Å²	205	131.6 Å²	131.6	78%	0.777	66%	0.66	S	S	*	*	H	α-helix	trans	-45.9	-33.1	-177.1	-171.2	41.6	0	0	0	114.3	F15 I16	W12-F15 PolarHBondContact O-N 3.2Å; W12-I16 HydrophobicContact CD2-CD1 4.3Å; W12-I16 HydrophobicContact CG-CD1 4.45Å; W12-I16 HydrophobicContact CZ2-CD1 4.49Å; W12-I16 WeakPolarHBondContact O-CG1 3.43Å; W12-I16 PolarHBondContact O-N 3.49Å; W12-I16 VanDerWaalsContact O-N 3.15Å
13	K	69	Low	64.3	Low	171 Å²	171	129 Å²	129	74%	0.743	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-40.9	173.4	-67.4	-175	178.3	-178.1	0	113.4	S11 I16 W17	S11-K13 CarbonylContact O-C 3.4Å; S11-K13 PolarHBondContact O-N 2.85Å; K13-I16 PolarHBondContact O-N 3.31Å; K13-W17 PolarHBondContact O-N 2.68Å
14	K	65.4	Low	65.8	Low	117 Å²	117	122.8 Å²	122.8	51%	0.509	61%	0.609	S	S	.	*	H	α-helix	trans	-72.3	-26.6	176.9	-121.8	179.4	-178.1	-178.1	0	112.6	S11	S11-K14 WeakPolarHBondContact O-CA 3.5Å; S11-K14 WeakPolarHBondContact O-CB 3.46Å; S11-K14 PolarHBondContact O-N 2.93Å
15	F	69.3	Low	67.3	Low	117 Å²	117	122.6 Å²	122.6	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-71.3	-40.9	172	178.9	-102.5	0	0	0	112.1	S11 W12 L25	S11-F15 PolarHBondContact O-N 3.14Å; W12-F15 PolarHBondContact O-N 3.2Å; F15-L25 HydrophobicContact CD1-CD2 4.01Å; F15-L25 HydrophobicContact CE1-CD2 3.66Å; F15-L25 HydrophobicContact CZ-CD2 4.37Å; F15-L25 WeakPolarHBondContact O-CA 3.17Å; F15-L25 PolarHBondContact O-N 3.32Å
16	I	77	Confident	68.3	Low	66 Å²	66	116.4 Å²	116.4	34%	0.338	58%	0.577	S	S	.	*	H	α-helix	trans	-68.9	-50.4	177.3	-65.5	166.8	0	0	0	110.4	W12 K13 F24 L25	W12-I16 HydrophobicContact CD2-CD1 4.3Å; W12-I16 HydrophobicContact CG-CD1 4.45Å; W12-I16 HydrophobicContact CZ2-CD1 4.49Å; W12-I16 WeakPolarHBondContact O-CG1 3.43Å; W12-I16 PolarHBondContact O-N 3.49Å; W12-I16 VanDerWaalsContact O-N 3.15Å; K13-I16 PolarHBondContact O-N 3.31Å; I16-F24 HydrophobicContact CG2-CE2 4.22Å; I16-F24 WeakPolarHBondContact O-CD2 3.39Å; I16-L25 PolarHBondContact O-N 2.86Å
17	W	77.1	Confident	69.8	Low	137 Å²	137	118.4 Å²	118.4	52%	0.519	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.5	119.7	-178	-177.7	-108.9	0	0	0	112	K13 F24	K13-W17 PolarHBondContact O-N 2.68Å; W17-F24 HydrophobicContact CE3-CB 4.05Å; W17-F24 HydrophobicContact CE3-CD2 4.16Å; W17-F24 HydrophobicContact CZ3-CB 4.08Å
18	N	76.4	Confident	71.2	Confident	27 Å²	27	111.7 Å²	111.7	14%	0.144	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	100.4	171	-171.9	-23.2	0	0	0	109.7	E20 K21 K22 E23	N18-E20 VanDerWaalsContact C-N 3.28Å; N18-E20 PolarHBondContact O-N 3.27Å; N18-E20 PolarHBondContact OD1-N 2.87Å; N18-E20 VanDerWaalsContact OD1-N 3.13Å; N18-K21 PolarHBondContact OD1-N 3.21Å; N18-K22 VanDerWaalsContact O-CA 3.29Å; N18-K22 WeakPolarHBondContact O-CA 3.48Å; N18-K22 PolarHBondContact O-N 2.83Å; N18-E23 HydrophobicContact CB-CB 4.24Å; N18-E23 PolarHBondContact N-O 3Å; N18-E23 PolarHBondContact O-N 3.44Å; N18-E23 VanDerWaalsContact O-N 3.17Å
19	S	71.8	Confident	72.7	Confident	90 Å²	90	105.4 Å²	105.4	63%	0.629	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-25	-178.2	-166.3	0	0	0	0	113.9
20	E	73.4	Confident	74.2	Confident	157 Å²	157	97.8 Å²	97.8	73%	0.734	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-41	-178.8	-68.1	174.2	171.5	0	0	111.7	N18	N18-E20 VanDerWaalsContact C-N 3.28Å; N18-E20 PolarHBondContact O-N 3.27Å; N18-E20 PolarHBondContact OD1-N 2.87Å; N18-E20 VanDerWaalsContact OD1-N 3.13Å
21	K	69.3	Low	75.7	Confident	138 Å²	138	97.8 Å²	97.8	60%	0.6	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-3.7	-179.6	-62.2	-173.7	179.4	177.1	0	113.8	N18 E23	N18-K21 PolarHBondContact OD1-N 3.21Å; K21-E23 VanDerWaalsContact C-N 3.27Å; K21-E23 HydrophobicContact CB-CG 3.84Å; K21-E23 PolarHBondContact O-N 2.76Å
22	K	73.5	Confident	76.8	Confident	156 Å²	156	98.4 Å²	98.4	68%	0.678	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	46.4	-172	-58	-178.7	-179.2	179.7	0	111.8	N18	N18-K22 VanDerWaalsContact O-CA 3.29Å; N18-K22 WeakPolarHBondContact O-CA 3.48Å; N18-K22 PolarHBondContact O-N 2.83Å
23	E	79.3	Confident	78	Confident	54 Å²	54	95 Å²	95	25%	0.252	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.4	179.3	-65.7	176.1	165.3	0	0	110.6	N18 K21 R27 T28	N18-E23 HydrophobicContact CB-CB 4.24Å; N18-E23 PolarHBondContact N-O 3Å; N18-E23 PolarHBondContact O-N 3.44Å; N18-E23 VanDerWaalsContact O-N 3.17Å; K21-E23 VanDerWaalsContact C-N 3.27Å; K21-E23 HydrophobicContact CB-CG 3.84Å; K21-E23 PolarHBondContact O-N 2.76Å; E23-R27 CarbonylContact C-O 3.54Å; E23-R27 VanDerWaalsContact CA-O 3.25Å; E23-R27 WeakPolarHBondContact CA-O 3.09Å; E23-T28 HydrophobicContact CG-CG2 3.77Å
24	F	78.3	Confident	79.1	Confident	89 Å²	89	94.3 Å²	94.3	39%	0.39	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.5	172.2	179.1	-107.8	0	0	0	108.7	I16 W17 G26 R27 W32	I16-F24 HydrophobicContact CG2-CE2 4.22Å; I16-F24 WeakPolarHBondContact O-CD2 3.39Å; W17-F24 HydrophobicContact CE3-CB 4.05Å; W17-F24 HydrophobicContact CE3-CD2 4.16Å; W17-F24 HydrophobicContact CZ3-CB 4.08Å; F24-G26 PolarHBondContact O-N 2.79Å; F24-R27 PolarHBondContact N-O 2.67Å; F24-R27 PolarHBondContact O-N 3.26Å; F24-R27 VanDerWaalsContact O-N 3.13Å; F24-W32 HydrophobicContact CD1-CZ2 4.22Å; F24-W32 AromaticContact CD1-NE1 3.77Å; F24-W32 HydrophobicContact CE1-CZ2 4.48Å; F24-W32 PolarHBondContact O-NE1 3.08Å
25	L	80	Confident	80.4	Confident	72 Å²	72	90.6 Å²	90.6	38%	0.377	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	42.4	-176.7	-63.9	172.8	0	0	0	113.4	F15 I16 R27 W32	F15-L25 HydrophobicContact CD1-CD2 4.01Å; F15-L25 HydrophobicContact CE1-CD2 3.66Å; F15-L25 HydrophobicContact CZ-CD2 4.37Å; F15-L25 WeakPolarHBondContact O-CA 3.17Å; F15-L25 PolarHBondContact O-N 3.32Å; I16-L25 PolarHBondContact O-N 2.86Å; L25-R27 PolarHBondContact O-N 3.42Å; L25-W32 HydrophobicContact CB-CZ2 4.4Å; L25-W32 HydrophobicContact CD1-CZ2 4.44Å
26	G	74.3	Confident	81.6	Confident	53 Å²	53	90.2 Å²	90.2	55%	0.546	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	16.1	176.5	0	0	0	0	0	116	F24	F24-G26 PolarHBondContact O-N 2.79Å
27	R	81.1	Confident	82.5	Confident	123 Å²	123	90.8 Å²	90.8	46%	0.464	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.2	173.6	-68	-177.7	171.9	167.7	-4.5	111.6	E23 F24 L25	E23-R27 CarbonylContact C-O 3.54Å; E23-R27 VanDerWaalsContact CA-O 3.25Å; E23-R27 WeakPolarHBondContact CA-O 3.09Å; F24-R27 PolarHBondContact N-O 2.67Å; F24-R27 PolarHBondContact O-N 3.26Å; F24-R27 VanDerWaalsContact O-N 3.13Å; L25-R27 PolarHBondContact O-N 3.42Å
28	T	87	Confident	83.4	Confident	63 Å²	63	90 Å²	90	39%	0.387	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	153.4	173.7	59.5	0	0	0	0	111	E23 G30 S31 W32	E23-T28 HydrophobicContact CG-CG2 3.77Å; T28-G30 PolarHBondContact O-N 3.35Å; T28-S31 WeakPolarHBondContact O-CA 3.36Å; T28-S31 WeakPolarHBondContact O-CB 3.32Å; T28-S31 PolarHBondContact O-N 3.43Å; T28-S31 PolarHBondContact OG1-N 3.28Å; T28-W32 PolarHBondContact O-N 2.67Å
29	G	83	Confident	84.4	Confident	50 Å²	50	94.1 Å²	94.1	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-54.6	-35.7	177.7	0	0	0	0	0	113.9	S31 W32 F33	G29-S31 PolarHBondContact O-N 2.83Å; G29-W32 PolarHBondContact O-N 3.28Å; G29-F33 PolarHBondContact O-N 2.88Å
30	G	84.9	Confident	85.6	Confident	44 Å²	44	94.1 Å²	94.1	45%	0.454	48%	0.477	S	S	.	.	H	α-helix	trans	-67.9	-31.6	174.6	0	0	0	0	0	113.9	T28 K34	T28-G30 PolarHBondContact O-N 3.35Å; G30-K34 VanDerWaalsContact O-CG 3.28Å; G30-K34 WeakPolarHBondContact O-CG 3.02Å; G30-K34 PolarHBondContact O-N 3.18Å
31	S	86.4	Confident	86.8	Confident	41 Å²	41	91.4 Å²	91.4	29%	0.287	47%	0.466	S	S	.	.	H	α-helix	trans	-71.5	-43.8	172.1	-179.4	0	0	0	0	110.9	T28 G29 F33 K34 I35	T28-S31 WeakPolarHBondContact O-CA 3.36Å; T28-S31 WeakPolarHBondContact O-CB 3.32Å; T28-S31 PolarHBondContact O-N 3.43Å; T28-S31 PolarHBondContact OG1-N 3.28Å; G29-S31 PolarHBondContact O-N 2.83Å; S31-F33 PolarHBondContact O-N 2.96Å; S31-K34 PolarHBondContact O-N 3.35Å; S31-I35 VanDerWaalsContact O-CD1 3.27Å; S31-I35 WeakPolarHBondContact O-CD1 3.23Å; S31-I35 VanDerWaalsContact O-CG1 3.28Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-I35 PolarHBondContact O-N 3.07Å
32	W	88.7	Confident	88.2	Confident	97 Å²	97	89.2 Å²	89.2	37%	0.367	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-45.5	174.9	-92.1	110.6	0	0	0	112.4	F24 L25 T28 G29 K34 I35 L36	F24-W32 HydrophobicContact CD1-CZ2 4.22Å; F24-W32 AromaticContact CD1-NE1 3.77Å; F24-W32 HydrophobicContact CE1-CZ2 4.48Å; F24-W32 PolarHBondContact O-NE1 3.08Å; L25-W32 HydrophobicContact CB-CZ2 4.4Å; L25-W32 HydrophobicContact CD1-CZ2 4.44Å; T28-W32 PolarHBondContact O-N 2.67Å; G29-W32 PolarHBondContact O-N 3.28Å; W32-K34 PolarHBondContact O-N 3.28Å; W32-I35 PolarHBondContact O-N 3.21Å; W32-L36 WeakPolarHBondContact O-CB 3.38Å; W32-L36 PolarHBondContact O-N 3.35Å
33	F	92.3	Very high	89.3	Confident	134 Å²	134	88.2 Å²	88.2	59%	0.588	45%	0.45	S	S	*	.	H	α-helix	trans	-60.4	-44.4	175.7	179.4	-100.7	0	0	0	112.1	G29 S31 I35 L36 L37	G29-F33 PolarHBondContact O-N 2.88Å; S31-F33 PolarHBondContact O-N 2.96Å; F33-I35 PolarHBondContact O-N 3.24Å; F33-L36 PolarHBondContact O-N 3.26Å; F33-L37 HydrophobicContact CE1-CD2 4.15Å; F33-L37 VanDerWaalsContact O-CB 3.23Å; F33-L37 WeakPolarHBondContact O-CB 3.4Å; F33-L37 PolarHBondContact O-N 2.86Å
34	K	92.3	Very high	90.3	Very high	155 Å²	155	87.8 Å²	87.8	67%	0.674	46%	0.46	S	S	*	.	H	α-helix	trans	-61.8	-41.5	176.8	-74.6	173.1	-177.4	-176.8	0	112.6	G30 S31 W32 F38	G30-K34 VanDerWaalsContact O-CG 3.28Å; G30-K34 WeakPolarHBondContact O-CG 3.02Å; G30-K34 PolarHBondContact O-N 3.18Å; S31-K34 PolarHBondContact O-N 3.35Å; W32-K34 PolarHBondContact O-N 3.28Å; K34-F38 WeakPolarHBondContact O-CB 3.43Å; K34-F38 PolarHBondContact O-N 2.88Å
35	I	93.2	Very high	91.2	Very high	39 Å²	39	87.2 Å²	87.2	20%	0.2	47%	0.466	C	S	.	.	H	α-helix	trans	-67.2	-45.7	177.6	-67.2	153.9	0	0	0	110.4	S31 W32 F33 F38 Y39	S31-I35 VanDerWaalsContact O-CD1 3.27Å; S31-I35 WeakPolarHBondContact O-CD1 3.23Å; S31-I35 VanDerWaalsContact O-CG1 3.28Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-I35 PolarHBondContact O-N 3.07Å; W32-I35 PolarHBondContact O-N 3.21Å; F33-I35 PolarHBondContact O-N 3.24Å; I35-F38 WeakPolarHBondContact O-CB 3.27Å; I35-F38 PolarHBondContact O-N 2.92Å; I35-Y39 HydrophobicContact CG2-CD2 3.77Å; I35-Y39 HydrophobicContact CG2-CE2 3.83Å; I35-Y39 VanDerWaalsContact O-CD2 3.29Å; I35-Y39 WeakPolarHBondContact O-CD2 3.37Å; I35-Y39 PolarHBondContact O-N 2.89Å
36	L	94.6	Very high	92.1	Very high	109 Å²	109	87.9 Å²	87.9	57%	0.571	47%	0.469	S	S	*	.	H	α-helix	trans	-60.9	-48.4	177.7	-175.3	68.3	0	0	0	110.7	W32 F33 F38 Y39 V40	W32-L36 WeakPolarHBondContact O-CB 3.38Å; W32-L36 PolarHBondContact O-N 3.35Å; F33-L36 PolarHBondContact O-N 3.26Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 3.14Å; L36-Y39 PolarHBondContact O-N 3.03Å; L36-V40 HydrophobicContact CG-CG2 4.42Å; L36-V40 WeakPolarHBondContact O-CB 3.35Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.26Å; L36-V40 PolarHBondContact O-N 3.46Å
37	L	95.8	Very high	93.2	Very high	78 Å²	78	87.5 Å²	87.5	41%	0.408	46%	0.461	S	S	.	.	H	α-helix	trans	-59.3	-43.2	177	-179.2	62.9	0	0	0	111.7	F33 Y39 V40 I41	F33-L37 HydrophobicContact CE1-CD2 4.15Å; F33-L37 VanDerWaalsContact O-CB 3.23Å; F33-L37 WeakPolarHBondContact O-CB 3.4Å; F33-L37 PolarHBondContact O-N 2.86Å; L37-Y39 PolarHBondContact O-N 2.8Å; L37-V40 PolarHBondContact O-N 3.41Å; L37-I41 HydrophobicContact CD1-CD1 3.92Å; L37-I41 HydrophobicContact CD1-CG1 4.24Å; L37-I41 HydrophobicContact CG-CD1 3.97Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 3.26Å
38	F	96.6	Very high	94	Very high	120 Å²	120	83.6 Å²	83.6	53%	0.526	46%	0.459	S	S	.	.	H	α-helix	trans	-56.6	-50.4	174	167.7	-95.9	0	0	0	111.2	K34 I35 L36 V40 I41 F42	K34-F38 WeakPolarHBondContact O-CB 3.43Å; K34-F38 PolarHBondContact O-N 2.88Å; I35-F38 WeakPolarHBondContact O-CB 3.27Å; I35-F38 PolarHBondContact O-N 2.92Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 3.14Å; F38-V40 PolarHBondContact O-N 2.71Å; F38-I41 PolarHBondContact O-N 2.89Å; F38-F42 HydrophobicContact CE1-CB 4.42Å; F38-F42 HydrophobicContact CZ-CB 4.36Å; F38-F42 HydrophobicContact CZ-CD2 4.3Å; F38-F42 HydrophobicContact CZ-CG 4.38Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 3.15Å
39	Y	96.9	Very high	94.6	Very high	114 Å²	114	86.2 Å²	86.2	45%	0.447	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-35.4	179.9	-83.7	-70.8	0	0	0	112.9	I35 L36 L37 F42 Y43	I35-Y39 HydrophobicContact CG2-CD2 3.77Å; I35-Y39 HydrophobicContact CG2-CE2 3.83Å; I35-Y39 VanDerWaalsContact O-CD2 3.29Å; I35-Y39 WeakPolarHBondContact O-CD2 3.37Å; I35-Y39 PolarHBondContact O-N 2.89Å; L36-Y39 PolarHBondContact O-N 3.03Å; L37-Y39 PolarHBondContact O-N 2.8Å; Y39-F42 PolarHBondContact O-N 3.35Å; Y39-Y43 AromaticContact CD1-CD2 3.86Å; Y39-Y43 HydrophobicContact CD1-CD2 3.86Å; Y39-Y43 AromaticContact CD1-CE2 3.41Å; Y39-Y43 HydrophobicContact CD1-CE2 3.41Å; Y39-Y43 VanDerWaalsContact CD1-CE2 3.41Å; Y39-Y43 HydrophobicContact CE1-CE2 4.02Å; Y39-Y43 HydrophobicContact CG-CE2 4.35Å; Y39-Y43 WeakPolarHBondContact O-CB 3.22Å; Y39-Y43 VanDerWaalsContact O-CD2 3.3Å; Y39-Y43 WeakPolarHBondContact O-CD2 3.26Å; Y39-Y43 PolarHBondContact O-N 3.27Å
40	V	97.8	Very high	95.3	Very high	91 Å²	91	90 Å²	90	55%	0.552	47%	0.472	S	S	*	.	H	α-helix	trans	-61.3	-49	174.7	167.7	0	0	0	0	110.6	L36 L37 F38 G44	L36-V40 HydrophobicContact CG-CG2 4.42Å; L36-V40 WeakPolarHBondContact O-CB 3.35Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.26Å; L36-V40 PolarHBondContact O-N 3.46Å; L37-V40 PolarHBondContact O-N 3.41Å; F38-V40 PolarHBondContact O-N 2.71Å; V40-G44 PolarHBondContact O-N 3.13Å
41	I	98	Very high	95.9	Very high	99 Å²	99	92.8 Å²	92.8	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-66.9	-46.6	178.1	-64.7	169.7	0	0	0	110.2	L37 F38 G44 C45	L37-I41 HydrophobicContact CD1-CD1 3.92Å; L37-I41 HydrophobicContact CD1-CG1 4.24Å; L37-I41 HydrophobicContact CG-CD1 3.97Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 3.26Å; F38-I41 PolarHBondContact O-N 2.89Å; I41-G44 PolarHBondContact O-N 3.4Å; I41-C45 PolarHBondContact O-N 3.24Å; I41-C45 PolarHBondContact O-SG 3.49Å; I41-C45 VanDerWaalsContact O-SG 3.34Å
42	F	97.9	Very high	96.5	Very high	93 Å²	93	92.4 Å²	92.4	41%	0.408	48%	0.478	S	S	.	.	H	α-helix	trans	-59.4	-52.1	-178.3	177.1	-97.3	0	0	0	112.1	F38 Y39 G44 C45 L46	F38-F42 HydrophobicContact CE1-CB 4.42Å; F38-F42 HydrophobicContact CZ-CB 4.36Å; F38-F42 HydrophobicContact CZ-CD2 4.3Å; F38-F42 HydrophobicContact CZ-CG 4.38Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 3.15Å; Y39-F42 PolarHBondContact O-N 3.35Å; F42-G44 VanDerWaalsContact C-N 3.33Å; F42-G44 PolarHBondContact O-N 3.34Å; F42-C45 PolarHBondContact O-N 3Å; F42-L46 HydrophobicContact CE1-CD1 4.03Å; F42-L46 HydrophobicContact CZ-CD1 4.19Å; F42-L46 WeakPolarHBondContact O-CB 3.35Å; F42-L46 PolarHBondContact O-N 2.85Å
43	Y	98.1	Very high	96.9	Very high	135 Å²	135	91.7 Å²	91.7	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-70	-30	177.3	-78.4	-68.4	0	0	0	112.4	Y39 L46 A47	Y39-Y43 AromaticContact CD1-CD2 3.86Å; Y39-Y43 HydrophobicContact CD1-CD2 3.86Å; Y39-Y43 AromaticContact CD1-CE2 3.41Å; Y39-Y43 HydrophobicContact CD1-CE2 3.41Å; Y39-Y43 VanDerWaalsContact CD1-CE2 3.41Å; Y39-Y43 HydrophobicContact CE1-CE2 4.02Å; Y39-Y43 HydrophobicContact CG-CE2 4.35Å; Y39-Y43 WeakPolarHBondContact O-CB 3.22Å; Y39-Y43 VanDerWaalsContact O-CD2 3.3Å; Y39-Y43 WeakPolarHBondContact O-CD2 3.26Å; Y39-Y43 PolarHBondContact O-N 3.27Å; Y43-L46 PolarHBondContact O-N 2.73Å; Y43-A47 VanDerWaalsContact O-CB 3.25Å; Y43-A47 WeakPolarHBondContact O-CB 3.31Å; Y43-A47 PolarHBondContact O-N 3.31Å
44	G	98.3	Very high	97.2	Very high	44 Å²	44	88 Å²	88	45%	0.454	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-48.4	170.5	0	0	0	0	0	112.1	V40 I41 F42 A47 G48	V40-G44 PolarHBondContact O-N 3.13Å; I41-G44 PolarHBondContact O-N 3.4Å; F42-G44 VanDerWaalsContact C-N 3.33Å; F42-G44 PolarHBondContact O-N 3.34Å; G44-A47 PolarHBondContact O-N 3.24Å; G44-G48 PolarHBondContact O-N 3.21Å
45	C	98.1	Very high	97.4	Very high	77 Å²	77	85.7 Å²	85.7	52%	0.52	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-42.5	174.8	-67.7	0	0	0	0	112	I41 F42 G48 I49	I41-C45 PolarHBondContact O-N 3.24Å; I41-C45 PolarHBondContact O-SG 3.49Å; I41-C45 VanDerWaalsContact O-SG 3.34Å; F42-C45 PolarHBondContact O-N 3Å; C45-G48 PolarHBondContact O-N 2.71Å; C45-I49 WeakPolarHBondContact O-CG1 3.35Å; C45-I49 PolarHBondContact O-N 3.01Å
46	L	98.1	Very high	97.6	Very high	86 Å²	86	88.6 Å²	88.6	45%	0.45	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-43.8	178.6	-168.9	152.9	0	0	0	111.5	F42 Y43 G48 I49 F50	F42-L46 HydrophobicContact CE1-CD1 4.03Å; F42-L46 HydrophobicContact CZ-CD1 4.19Å; F42-L46 WeakPolarHBondContact O-CB 3.35Å; F42-L46 PolarHBondContact O-N 2.85Å; Y43-L46 PolarHBondContact O-N 2.73Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-I49 PolarHBondContact O-N 3.4Å; L46-F50 PolarHBondContact O-N 3.09Å
47	A	98.3	Very high	97.7	Very high	46 Å²	46	87.8 Å²	87.8	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-62.7	-39.7	172.9	0	0	0	0	0	111.6	Y43 G44 F50 I51	Y43-A47 VanDerWaalsContact O-CB 3.25Å; Y43-A47 WeakPolarHBondContact O-CB 3.31Å; Y43-A47 PolarHBondContact O-N 3.31Å; G44-A47 PolarHBondContact O-N 3.24Å; A47-F50 PolarHBondContact O-N 3.04Å; A47-I51 WeakPolarHBondContact O-CB 3.44Å; A47-I51 VanDerWaalsContact O-CG1 3.25Å; A47-I51 WeakPolarHBondContact O-CG1 3.37Å; A47-I51 PolarHBondContact O-N 3.29Å
48	G	98.3	Very high	97.7	Very high	40 Å²	40	88.1 Å²	88.1	41%	0.412	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-45	174.6	0	0	0	0	0	113.1	G44 C45 L46 I51 G52	G44-G48 PolarHBondContact O-N 3.21Å; C45-G48 PolarHBondContact O-N 2.71Å; L46-G48 VanDerWaalsContact C-N 3.33Å; G48-I51 PolarHBondContact O-N 3.37Å; G48-G52 PolarHBondContact O-N 3.42Å
49	I	98.1	Very high	97.6	Very high	119 Å²	119	89.6 Å²	89.6	61%	0.61	49%	0.49	S	S	*	.	H	α-helix	trans	-61.7	-46.2	174.7	-67.3	167.2	0	0	0	110	C45 L46 I51 G52 T53	C45-I49 WeakPolarHBondContact O-CG1 3.35Å; C45-I49 PolarHBondContact O-N 3.01Å; L46-I49 PolarHBondContact O-N 3.4Å; I49-I51 PolarHBondContact O-N 3.18Å; I49-G52 PolarHBondContact O-N 2.89Å; I49-T53 HydrophobicContact CG2-CG2 4.41Å; I49-T53 WeakPolarHBondContact O-CG2 3.24Å; I49-T53 PolarHBondContact O-N 3.37Å; I49-T53 PolarHBondContact O-OG1 3.46Å
50	F	98.3	Very high	97.4	Very high	130 Å²	130	89.2 Å²	89.2	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-58.6	-48.8	177.8	-179.9	-106.6	0	0	0	111.7	L46 A47 G52 T53 I54	L46-F50 PolarHBondContact O-N 3.09Å; A47-F50 PolarHBondContact O-N 3.04Å; F50-G52 VanDerWaalsContact C-N 3.33Å; F50-G52 PolarHBondContact O-N 3.31Å; F50-T53 PolarHBondContact O-N 2.04Å; F50-T53 PolarHBondContact O-OG1 3.13Å; F50-I54 HydrophobicContact CD1-CG1 4.45Å; F50-I54 HydrophobicContact CE1-CG1 4.06Å; F50-I54 HydrophobicContact CE2-CD1 4.3Å; F50-I54 HydrophobicContact CE2-CG1 4.15Å; F50-I54 HydrophobicContact CZ-CD1 4.1Å; F50-I54 HydrophobicContact CZ-CG1 3.9Å; F50-I54 WeakPolarHBondContact O-CG1 3.36Å; F50-I54 PolarHBondContact O-N 3.36Å
51	I	98.4	Very high	97.2	Very high	101 Å²	101	88.4 Å²	88.4	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-57.7	-46	175.3	-68.2	164.2	0	0	0	110.7	A47 G48 I49 T53 I54 Q55	A47-I51 WeakPolarHBondContact O-CB 3.44Å; A47-I51 VanDerWaalsContact O-CG1 3.25Å; A47-I51 WeakPolarHBondContact O-CG1 3.37Å; A47-I51 PolarHBondContact O-N 3.29Å; G48-I51 PolarHBondContact O-N 3.37Å; I49-I51 PolarHBondContact O-N 3.18Å; I51-T53 PolarHBondContact O-N 3.24Å; I51-I54 PolarHBondContact O-N 3.32Å; I51-Q55 HydrophobicContact CG2-CG 4.31Å; I51-Q55 WeakPolarHBondContact O-CG 3.43Å; I51-Q55 PolarHBondContact O-N 3.17Å
52	G	98.3	Very high	96.9	Very high	34 Å²	34	86.8 Å²	86.8	35%	0.351	49%	0.489	S	S	.	.	H	α-helix	trans	-58.3	-46.5	177.5	0	0	0	0	0	112.9	G48 I49 F50 I54 Q55 V56	G48-G52 PolarHBondContact O-N 3.42Å; I49-G52 PolarHBondContact O-N 2.89Å; F50-G52 VanDerWaalsContact C-N 3.33Å; F50-G52 PolarHBondContact O-N 3.31Å; G52-I54 PolarHBondContact O-N 3.17Å; G52-Q55 PolarHBondContact O-N 3.26Å; G52-V56 WeakPolarHBondContact O-CG2 3.38Å; G52-V56 PolarHBondContact O-N 3.31Å
53	T	97.8	Very high	96.6	Very high	81 Å²	81	90.2 Å²	90.2	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-38.8	177.2	59.9	0	0	0	0	112.6	I49 F50 I51 V56 M57	I49-T53 HydrophobicContact CG2-CG2 4.41Å; I49-T53 WeakPolarHBondContact O-CG2 3.24Å; I49-T53 PolarHBondContact O-N 3.37Å; I49-T53 PolarHBondContact O-OG1 3.46Å; F50-T53 PolarHBondContact O-N 2.04Å; F50-T53 PolarHBondContact O-OG1 3.13Å; I51-T53 PolarHBondContact O-N 3.24Å; T53-V56 PolarHBondContact O-N 2.84Å; T53-M57 PolarHBondContact O-N 3.08Å
54	I	97.7	Very high	96.2	Very high	58 Å²	58	84.8 Å²	84.8	30%	0.297	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-41.7	174	-68.5	-66.9	0	0	0	111.2	F50 I51 G52 M57 L58	F50-I54 HydrophobicContact CD1-CG1 4.45Å; F50-I54 HydrophobicContact CE1-CG1 4.06Å; F50-I54 HydrophobicContact CE2-CD1 4.3Å; F50-I54 HydrophobicContact CE2-CG1 4.15Å; F50-I54 HydrophobicContact CZ-CD1 4.1Å; F50-I54 HydrophobicContact CZ-CG1 3.9Å; F50-I54 WeakPolarHBondContact O-CG1 3.36Å; F50-I54 PolarHBondContact O-N 3.36Å; I51-I54 PolarHBondContact O-N 3.32Å; G52-I54 PolarHBondContact O-N 3.17Å; I54-M57 HydrophobicContact CD1-CE 4.21Å; I54-M57 WeakPolarHBondContact O-CB 3.17Å; I54-M57 PolarHBondContact O-N 3.42Å; I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 HydrophobicContact CG2-CG 4.31Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 2.86Å
55	Q	96.9	Very high	95.9	Very high	105 Å²	105	87.5 Å²	87.5	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-44.9	177.8	-71.7	-63.7	-20.4	0	0	112.1	I51 G52 M57 L58 L59	I51-Q55 HydrophobicContact CG2-CG 4.31Å; I51-Q55 WeakPolarHBondContact O-CG 3.43Å; I51-Q55 PolarHBondContact O-N 3.17Å; G52-Q55 PolarHBondContact O-N 3.26Å; Q55-M57 VanDerWaalsContact C-N 3.29Å; Q55-M57 PolarHBondContact O-N 3.03Å; Q55-L58 PolarHBondContact O-N 3.13Å; Q55-L59 WeakPolarHBondContact O-CG 3.36Å; Q55-L59 PolarHBondContact O-N 2.82Å; Q55-L59 VanDerWaalsContact O-N 3.12Å
56	V	97.4	Very high	95.7	Very high	101 Å²	101	86.6 Å²	86.6	61%	0.612	48%	0.479	S	S	*	.	H	α-helix	trans	-59.2	-42.8	174.7	173.2	0	0	0	0	110.9	G52 T53 L59	G52-V56 WeakPolarHBondContact O-CG2 3.38Å; G52-V56 PolarHBondContact O-N 3.31Å; T53-V56 PolarHBondContact O-N 2.84Å; V56-L59 PolarHBondContact O-N 3.32Å
57	M	96.4	Very high	95.3	Very high	92 Å²	92	86.8 Å²	86.8	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-45.4	175.6	-177.7	-161.9	72.4	0	0	111.6	T53 I54 Q55 L59 T60	T53-M57 PolarHBondContact O-N 3.08Å; I54-M57 HydrophobicContact CD1-CE 4.21Å; I54-M57 WeakPolarHBondContact O-CB 3.17Å; I54-M57 PolarHBondContact O-N 3.42Å; Q55-M57 VanDerWaalsContact C-N 3.29Å; Q55-M57 PolarHBondContact O-N 3.03Å; M57-L59 VanDerWaalsContact C-N 3.27Å; M57-L59 PolarHBondContact O-N 2.88Å; M57-T60 PolarHBondContact O-N 3.44Å; M57-T60 PolarHBondContact O-OG1 3.15Å
58	L	95.8	Very high	95.1	Very high	85 Å²	85	93.7 Å²	93.7	45%	0.445	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-34.9	-179.9	-72.7	173.2	0	0	0	112.6	I54 Q55 T60 I61	I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 HydrophobicContact CG2-CG 4.31Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 2.86Å; Q55-L58 PolarHBondContact O-N 3.13Å; L58-T60 PolarHBondContact O-N 2.96Å; L58-I61 PolarHBondContact O-N 3.31Å; L58-I61 VanDerWaalsContact O-N 3.16Å
59	L	94.5	Very high	94.7	Very high	151 Å²	151	94.1 Å²	94.1	79%	0.791	49%	0.492	S	S	*	.	H	α-helix	trans	-66.7	-17.9	175.2	-65.8	175.1	0	0	0	113.9	Q55 V56 M57 I61	Q55-L59 WeakPolarHBondContact O-CG 3.36Å; Q55-L59 PolarHBondContact O-N 2.82Å; Q55-L59 VanDerWaalsContact O-N 3.12Å; V56-L59 PolarHBondContact O-N 3.32Å; M57-L59 VanDerWaalsContact C-N 3.27Å; M57-L59 PolarHBondContact O-N 2.88Å; L59-I61 VanDerWaalsContact C-N 3.33Å
60	T	94	Very high	94.2	Very high	105 Å²	105	93 Å²	93	64%	0.644	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.3	176.2	68.2	0	0	0	0	113.2	M57 L58	M57-T60 PolarHBondContact O-N 3.44Å; M57-T60 PolarHBondContact O-OG1 3.15Å; L58-T60 PolarHBondContact O-N 2.96Å
61	I	93.3	Very high	93.8	Very high	75 Å²	75	97.5 Å²	97.5	39%	0.385	50%	0.501	S	S	.	.	S	Bend	trans	-108	129.4	-176.7	-57.3	171.8	0	0	0	109.1	L58 L59	L58-I61 PolarHBondContact O-N 3.31Å; L58-I61 VanDerWaalsContact O-N 3.16Å; L59-I61 VanDerWaalsContact C-N 3.33Å
62	S	90.9	Very high	93.2	Very high	65 Å²	65	96.7 Å²	96.7	46%	0.455	50%	0.5	S	S	.	.			trans	-76.3	134.5	169.9	-179.3	0	0	0	0	110.5	L64	S62-L64 PolarHBondContact O-N 3.15Å; S62-L64 PolarHBondContact OG-N 3.17Å
63	E	90.9	Very high	92.2	Very high	165 Å²	165	97.7 Å²	97.7	77%	0.771	51%	0.505	S	S	*	.	S	Bend	trans	-68	-19.8	172.7	-59.5	-173.3	171.7	0	0	112.8	L249	E63-L249 HydrophobicContact CB-CD1 3.77Å
64	L	90.4	Very high	91.7	Very high	20 Å²	20	95.5 Å²	95.5	11%	0.105	49%	0.493	C	S	.	.	S	Bend	trans	-85.6	-33	-174.6	-64	177.5	0	0	0	113.1	S62 F139 L184 L249 L250	S62-L64 PolarHBondContact O-N 3.15Å; S62-L64 PolarHBondContact OG-N 3.17Å; L64-F139 VanDerWaalsContact CD1-O 3.25Å; L64-F139 WeakPolarHBondContact CD1-O 3.37Å; L64-L184 VanDerWaalsContact O-CD1 3.22Å; L64-L184 WeakPolarHBondContact O-CD1 3.33Å; L64-L249 HydrophobicContact CD2-CD1 4.2Å; L64-L249 HydrophobicContact CD2-CD2 3.91Å; L64-L249 HydrophobicContact CD2-CG 4.44Å; L64-L250 HydrophobicContact CD2-CD1 4.2Å; L64-L250 HydrophobicContact CD2-CD2 3.81Å; L64-L250 HydrophobicContact CD2-CG 3.9Å
65	K	91.6	Very high	91.5	Very high	101 Å²	101	92.8 Å²	92.8	44%	0.439	48%	0.479	S	S	.	.	S	Bend	trans	-144.7	131.9	-176.3	179.2	175.5	177.6	-175.3	0	110.7	L184	K65-L184 HydrophobicContact CB-CD2 4.31Å; K65-L184 HydrophobicContact CD-CD2 4.34Å; K65-L184 HydrophobicContact CG-CD2 3.95Å
66	P	93.5	Very high	91.4	Very high	59 Å²	59	88.2 Å²	88.2	38%	0.383	46%	0.46	S	S	.	.			trans	-65.6	139.4	172.5	28.7	-35.4	0	0	0	110.9	Y68 Q69	P66-Y68 VanDerWaalsContact C-N 3.26Å; P66-Y68 PolarHBondContact O-N 2.82Å; P66-Q69 HydrophobicContact CG-CG 3.72Å
67	T	91.5	Very high	91.3	Very high	90 Å²	90	83.4 Å²	83.4	55%	0.552	43%	0.43	S	S	*	.	S	Bend	trans	-59.7	-36.5	-179.8	-44.8	0	0	0	0	112.5
68	Y	92.4	Very high	91.2	Very high	190 Å²	190	79.9 Å²	79.9	75%	0.745	41%	0.414	S	S	*	.			trans	-126.1	134.4	-178.6	-62.7	-73.1	0	0	0	110.8	P66	P66-Y68 VanDerWaalsContact C-N 3.26Å; P66-Y68 PolarHBondContact O-N 2.82Å
69	Q	90.8	Very high	91.1	Very high	49 Å²	49	76.4 Å²	76.4	23%	0.229	40%	0.396	C	S	.	.			trans	-130.8	-0.3	-179.4	-68.2	-175	-35.6	0	0	113.2	P66 R71 V72 A73 L184	P66-Q69 HydrophobicContact CG-CG 3.72Å; Q69-R71 PolarHBondContact O-N 3.01Å; Q69-V72 HydrophobicContact CB-CG2 4.2Å; Q69-V72 WeakPolarHBondContact O-CG2 3.25Å; Q69-V72 PolarHBondContact O-N 3.15Å; Q69-V72 VanDerWaalsContact O-N 3.13Å; Q69-A73 PolarHBondContact O-N 2.7Å; Q69-L184 PolarHBondContact NE2-O 3.25Å
70	D	88.6	Confident	91.1	Very high	95 Å²	95	69.3 Å²	69.3	51%	0.508	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.3	179	58.9	-58.6	0	0	0	112.9	V72	D70-V72 VanDerWaalsContact C-N 3.34Å
71	R	88.1	Confident	91	Very high	225 Å²	225	64.4 Å²	64.4	85%	0.849	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.7	179.6	-58.8	-59.1	178.9	153.5	3.2	114.8	Q69	Q69-R71 PolarHBondContact O-N 3.01Å
72	V	86.1	Confident	90.4	Very high	84 Å²	84	66.4 Å²	66.4	51%	0.509	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-5.9	-179.5	-62.4	0	0	0	0	112.9	Q69 D70 P74 V183	Q69-V72 HydrophobicContact CB-CG2 4.2Å; Q69-V72 WeakPolarHBondContact O-CG2 3.25Å; Q69-V72 PolarHBondContact O-N 3.15Å; Q69-V72 VanDerWaalsContact O-N 3.13Å; D70-V72 VanDerWaalsContact C-N 3.34Å; V72-P74 CarbonylContact O-C 3.58Å; V72-V183 HydrophobicContact CG2-CG1 4.32Å
73	A	78.8	Confident	89.7	Confident	55 Å²	55	65.7 Å²	65.7	46%	0.455	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-101.7	128.7	173.2	0	0	0	0	0	108.9	Q69	Q69-A73 PolarHBondContact O-N 2.7Å
74	P	87	Confident	88.6	Confident	36 Å²	36	66 Å²	66	23%	0.234	33%	0.328	C	S	.	.	S	Bend	cis	-80.2	156.4	2.4	33.1	-36.6	0	0	0	114	V72 G284 Q292	V72-P74 CarbonylContact O-C 3.58Å; P74-G284 VanDerWaalsContact CB-N 3.3Å; P74-Q292 HydrophobicContact CG-CG 3.8Å
75	P	93.8	Very high	88.1	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.006	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66.3	146.8	-176.6	28.3	-35.9	0	0	0	112.6	L180 N181 V183 F186 I283 G293	P75-L180 HydrophobicContact CB-CD1 4.34Å; P75-L180 HydrophobicContact CB-CG 4.32Å; P75-L180 HydrophobicContact CG-CD1 4.31Å; P75-L180 HydrophobicContact CG-CD2 4.43Å; P75-L180 HydrophobicContact CG-CG 4.46Å; P75-N181 HydrophobicContact CB-CB 4.45Å; P75-V183 HydrophobicContact CB-CG2 3.95Å; P75-F186 HydrophobicContact CG-CD1 4.36Å; P75-F186 HydrophobicContact CG-CE1 3.75Å; P75-F186 HydrophobicContact CG-CE2 4.1Å; P75-F186 HydrophobicContact CG-CZ 3.62Å; P75-I283 HydrophobicContact CG-CD1 3.78Å; P75-G293 PolarHBondContact O-N 3.27Å; P75-G293 VanDerWaalsContact O-N 3.14Å
76	G	94.4	Very high	87.8	Confident	8 Å²	8	69.9 Å²	69.9	8%	0.082	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-80.5	157.7	171.1	0	0	0	0	0	113.7	N181 F291	G76-N181 WeakPolarHBondContact O-CB 3.39Å; G76-N181 PolarHBondContact O-N 2.86Å; G76-F291 CarbonylContact C-O 3.45Å; G76-F291 WeakPolarHBondContact CA-O 3.32Å
77	L	95.1	Very high	87.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.7	170.1	-162.8	66.1	0	0	0	108.4	I178 L180 V211 F238 A278 F291 F295	L77-I178 HydrophobicContact CD1-CG2 3.51Å; L77-I178 HydrophobicContact CD2-CG2 3.93Å; L77-I178 HydrophobicContact CG-CG2 3.63Å; L77-L180 HydrophobicContact CD1-CD1 4.05Å; L77-V211 HydrophobicContact CD2-CG1 4.18Å; L77-F238 HydrophobicContact CD1-CE2 3.68Å; L77-F238 HydrophobicContact CD1-CZ 3.87Å; L77-A278 HydrophobicContact CD1-CB 4.26Å; L77-A278 HydrophobicContact CD2-CB 4.22Å; L77-F291 PolarHBondContact N-O 3.31Å; L77-F295 HydrophobicContact CB-CD1 4.17Å; L77-F295 HydrophobicContact CD2-CD1 3.72Å; L77-F295 HydrophobicContact CD2-CE1 3.88Å; L77-F295 HydrophobicContact CG-CD1 3.76Å; L77-F295 HydrophobicContact CG-CE1 4.09Å
78	T	93.7	Very high	87.8	Confident	18 Å²	18	66.1 Å²	66.1	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.6	-177.7	56.1	0	0	0	0	111	K179 N181	T78-K179 PolarHBondContact N-O 3.26Å; T78-K179 PolarHBondContact O-N 2.85Å; T78-K179 WeakPolarHBondContact OG1-CE 3.47Å; T78-K179 WeakPolarHBondContact OG1-CG 3.35Å; T78-K179 PolarHBondContact OG1-O 2.79Å; T78-N181 WeakPolarHBondContact CG2-OD1 2.95Å
79	Q	93.9	Very high	87.9	Confident	13 Å²	13	58.2 Å²	58.2	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	158.3	-179.7	76.3	-81.3	23.6	0	0	112.7	Q82 I176 I177 F295	Q79-Q82 VanDerWaalsContact O-CG 3.32Å; Q79-Q82 WeakPolarHBondContact O-CG 3.19Å; Q79-I176 HydrophobicContact CB-CG2 3.63Å; Q79-I176 HydrophobicContact CG-CG2 4.31Å; Q79-I177 CarbonylContact C-O 3.4Å; Q79-I177 WeakPolarHBondContact CA-O 3.28Å; Q79-F295 HydrophobicContact CB-CD2 4.15Å; Q79-F295 HydrophobicContact CB-CE1 4.2Å; Q79-F295 HydrophobicContact CB-CE2 3.74Å; Q79-F295 HydrophobicContact CB-CZ 3.76Å; Q79-F295 HydrophobicContact CG-CD2 4.14Å; Q79-F295 HydrophobicContact CG-CE2 4Å
80	I	94.8	Very high	88.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.4	170.3	-64.4	147.6	0	0	0	105.8	Q82 I105 F108 I177 K179	I80-Q82 HydrophobicContact CG1-CG 4.47Å; I80-I105 HydrophobicContact CG2-CG1 4.09Å; I80-F108 HydrophobicContact CD1-CB 4.4Å; I80-F108 HydrophobicContact CD1-CD1 3.38Å; I80-F108 HydrophobicContact CD1-CD2 3.5Å; I80-F108 VanDerWaalsContact CD1-CD2 3.5Å; I80-F108 HydrophobicContact CD1-CE1 3.28Å; I80-F108 HydrophobicContact CD1-CE2 3.42Å; I80-F108 VanDerWaalsContact CD1-CE2 3.42Å; I80-F108 HydrophobicContact CD1-CG 3.46Å; I80-F108 VanDerWaalsContact CD1-CG 3.46Å; I80-F108 HydrophobicContact CD1-CZ 3.3Å; I80-F108 HydrophobicContact CG1-CD1 4.48Å; I80-F108 HydrophobicContact CG1-CD2 4.35Å; I80-F108 HydrophobicContact CG1-CG 4.28Å; I80-F108 HydrophobicContact CG2-CB 4.09Å; I80-F108 HydrophobicContact CG2-CD1 4.44Å; I80-F108 HydrophobicContact CG2-CG 4.29Å; I80-I177 HydrophobicContact CB-CB 4.27Å; I80-I177 PolarHBondContact N-O 3.1Å; I80-I177 PolarHBondContact O-N 3.1Å; I80-K179 HydrophobicContact CD1-CD 3.83Å
81	P	91.6	Very high	88.4	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.013	28%	0.279	C	S	.	.	S	Bend	cis	-72.2	143.3	13.4	30.5	-37.9	0	0	0	114.7	I83 I88 Y101 N104 I105	P81-I83 HydrophobicContact CB-CD1 3.94Å; P81-I83 HydrophobicContact CB-CG1 4.14Å; P81-I83 HydrophobicContact CG-CD1 3.66Å; P81-I83 HydrophobicContact CG-CG1 4.41Å; P81-I88 HydrophobicContact CG-CD1 4.25Å; P81-Y101 HydrophobicContact CG-CD1 4.44Å; P81-Y101 HydrophobicContact CG-CG 4.48Å; P81-N104 HydrophobicContact CB-CB 3.89Å; P81-I105 HydrophobicContact CB-CG1 4.38Å
82	Q	80.9	Confident	88.7	Confident	116 Å²	116	47.9 Å²	47.9	54%	0.542	24%	0.244	S	C	.	.			trans	-89.2	103.9	174.4	-69.1	-168.5	-39.9	0	0	110.6	Q79 I80 N104	Q79-Q82 VanDerWaalsContact O-CG 3.32Å; Q79-Q82 WeakPolarHBondContact O-CG 3.19Å; I80-Q82 HydrophobicContact CG1-CG 4.47Å; Q82-N104 PolarHBondContact N-OD1 3.3Å; Q82-N104 VanDerWaalsContact N-OD1 3.14Å; Q82-N104 PolarHBondContact O-ND2 3.45Å
83	I	76	Confident	89.1	Confident	50 Å²	50	50 Å²	50	26%	0.256	25%	0.253	S	S	.	.			trans	-121.1	149.4	-175.9	-53.5	143.7	0	0	0	109.6	P81 K85 T86 I88 Y101	P81-I83 HydrophobicContact CB-CD1 3.94Å; P81-I83 HydrophobicContact CB-CG1 4.14Å; P81-I83 HydrophobicContact CG-CD1 3.66Å; P81-I83 HydrophobicContact CG-CG1 4.41Å; I83-K85 PolarHBondContact O-N 3.41Å; I83-T86 PolarHBondContact O-N 2.9Å; I83-I88 HydrophobicContact CD1-CD1 4.42Å; I83-I88 HydrophobicContact CD1-CG1 3.55Å; I83-Y101 HydrophobicContact CB-CE1 4.37Å; I83-Y101 HydrophobicContact CD1-CD1 3.17Å; I83-Y101 HydrophobicContact CD1-CE1 3.07Å; I83-Y101 HydrophobicContact CD1-CG 4.15Å; I83-Y101 HydrophobicContact CG1-CD1 3.57Å; I83-Y101 HydrophobicContact CG1-CE1 3.47Å; I83-Y101 VanDerWaalsContact CG1-CE1 3.47Å; I83-Y101 HydrophobicContact CG2-CE1 4.02Å
84	Q	67.6	Low	89.9	Confident	173 Å²	173	50.5 Å²	50.5	81%	0.808	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-57.4	136.5	174.5	-63.9	-177	-2.5	0	0	110.2	T86	Q84-T86 VanDerWaalsContact C-N 3.28Å; Q84-T86 PolarHBondContact O-N 3.1Å
85	K	79.9	Confident	90.3	Very high	179 Å²	179	52.6 Å²	52.6	78%	0.778	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	66.7	11.4	179.5	-52.6	177.4	179.6	175.4	0	117.2	I83 E87	I83-K85 PolarHBondContact O-N 3.41Å; K85-E87 PolarHBondContact O-N 3.18Å
86	T	84.9	Confident	90.4	Very high	23 Å²	23	60.5 Å²	60.5	14%	0.141	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	51.8	39.5	-179.4	61.8	0	0	0	0	113.7	I83 Q84 F291 D296 V297 K298	I83-T86 PolarHBondContact O-N 2.9Å; Q84-T86 VanDerWaalsContact C-N 3.28Å; Q84-T86 PolarHBondContact O-N 3.1Å; T86-F291 HydrophobicContact CG2-CE1 3.88Å; T86-F291 HydrophobicContact CG2-CZ 3.6Å; T86-D296 VanDerWaalsContact CB-O 3.27Å; T86-D296 WeakPolarHBondContact CB-O 3.42Å; T86-D296 PolarHBondContact OG1-O 3.48Å; T86-D296 VanDerWaalsContact OG1-O 3.13Å; T86-V297 WeakPolarHBondContact O-CA 3.36Å; T86-K298 PolarHBondContact O-N 3.42Å
87	E	91.8	Very high	90.4	Very high	66 Å²	66	61.7 Å²	61.7	31%	0.308	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.4	-178.7	-172.7	-179.6	159.3	0	0	109.9	K85 K298	K85-E87 PolarHBondContact O-N 3.18Å; E87-K298 CarbonylContact C-O 3.45Å; E87-K298 WeakPolarHBondContact CA-O 3.44Å; E87-K298 HydrophobicContact CB-CB 4.36Å; E87-K298 HydrophobicContact CG-CB 4.19Å
88	I	93.6	Very high	90.4	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	104.2	176.6	-62.6	169.5	0	0	0	106.2	P81 I83 F90 Y101 Y169 I176 V297 K298 I299 E300	P81-I88 HydrophobicContact CG-CD1 4.25Å; I83-I88 HydrophobicContact CD1-CD1 4.42Å; I83-I88 HydrophobicContact CD1-CG1 3.55Å; I88-F90 HydrophobicContact CG2-CD1 3.86Å; I88-F90 HydrophobicContact CG2-CE1 4.08Å; I88-Y101 HydrophobicContact CG2-CD2 4.17Å; I88-Y101 HydrophobicContact CG2-CE2 3.92Å; I88-Y169 HydrophobicContact CG2-CE1 3.87Å; I88-I176 HydrophobicContact CD1-CD1 3.61Å; I88-I176 HydrophobicContact CD1-CG1 4.02Å; I88-V297 HydrophobicContact CD1-CG2 3.86Å; I88-V297 HydrophobicContact CG1-CG2 4.25Å; I88-K298 PolarHBondContact N-O 3.19Å; I88-I299 HydrophobicContact CB-CG1 4.48Å; I88-I299 CarbonylContact O-C 3.27Å; I88-I299 WeakPolarHBondContact O-CA 3.47Å; I88-E300 PolarHBondContact O-N 3.04Å
89	S	94.3	Very high	90.4	Very high	25 Å²	25	66.6 Å²	66.6	18%	0.175	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116	179.8	-174.7	0	0	0	0	108.5	Y101 E300 K302	S89-Y101 PolarHBondContact N-OH 2.92Å; S89-Y101 VanDerWaalsContact N-OH 3.14Å; S89-Y101 PolarHBondContact O-OH 3.34Å; S89-E300 WeakPolarHBondContact CA-O 3.43Å; S89-E300 PolarHBondContact OG-OE2 2.95Å; S89-K302 PolarHBondContact OG-NZ 3.27Å
90	F	94.9	Very high	90.4	Very high	3 Å²	3	69.2 Å²	69.2	1%	0.013	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.8	-177.1	67	-79.5	0	0	0	112	I88 P92 Y98 Y101 Y169 P174 E300 V301 K302	I88-F90 HydrophobicContact CG2-CD1 3.86Å; I88-F90 HydrophobicContact CG2-CE1 4.08Å; F90-P92 HydrophobicContact CD2-CG 4.42Å; F90-P92 HydrophobicContact CE2-CG 3.99Å; F90-Y98 HydrophobicContact CD2-CD1 4.09Å; F90-Y101 HydrophobicContact CB-CD2 4.47Å; F90-Y101 HydrophobicContact CB-CE2 4.03Å; F90-Y101 HydrophobicContact CD1-CE2 4.47Å; F90-Y169 AromaticContact CD1-CD1 3.78Å; F90-Y169 HydrophobicContact CD1-CD1 3.78Å; F90-Y169 AromaticContact CD1-CE1 3.93Å; F90-Y169 HydrophobicContact CD1-CE1 3.93Å; F90-Y169 AromaticContact CD2-CD1 3.97Å; F90-Y169 HydrophobicContact CD2-CD1 3.97Å; F90-Y169 AromaticContact CE1-CD1 3.69Å; F90-Y169 HydrophobicContact CE1-CD1 3.69Å; F90-Y169 AromaticContact CE1-CE1 3.87Å; F90-Y169 HydrophobicContact CE1-CE1 3.87Å; F90-Y169 AromaticContact CE2-CD1 3.9Å; F90-Y169 HydrophobicContact CE2-CD1 3.9Å; F90-Y169 HydrophobicContact CE2-CG 4.48Å; F90-Y169 VanDerWaalsContact CE2-O 3.22Å; F90-Y169 WeakPolarHBondContact CE2-O 3.46Å; F90-Y169 AromaticContact CG-CD1 3.92Å; F90-Y169 HydrophobicContact CG-CD1 3.92Å; F90-Y169 HydrophobicContact CG-CE1 4.45Å; F90-Y169 AromaticContact CZ-CD1 3.75Å; F90-Y169 HydrophobicContact CZ-CD1 3.75Å; F90-Y169 HydrophobicContact CZ-CE1 4.34Å; F90-Y169 HydrophobicContact CZ-CG 4.48Å; F90-P174 HydrophobicContact CE1-CB 3.85Å; F90-P174 HydrophobicContact CE1-CG 3.92Å; F90-P174 HydrophobicContact CZ-CB 3.88Å; F90-P174 HydrophobicContact CZ-CG 3.97Å; F90-E300 PolarHBondContact N-O 3.14Å; F90-V301 HydrophobicContact CE1-CG2 3.98Å; F90-V301 HydrophobicContact CE2-CG1 4.33Å; F90-V301 HydrophobicContact CZ-CG1 4.26Å; F90-V301 HydrophobicContact CZ-CG2 3.87Å; F90-K302 PolarHBondContact O-N 2.6Å
91	R	96.3	Very high	90.4	Very high	131 Å²	131	70.5 Å²	70.5	49%	0.494	35%	0.352	S	S	.	.			trans	-110.5	117.7	172	-72.9	179	179.9	165.3	0.9	109.1	N93 D94 S97 K302	R91-N93 PolarHBondContact O-N 3.33Å; R91-N93 VanDerWaalsContact O-N 3.14Å; R91-D94 HydrophobicContact CB-CB 4.12Å; R91-D94 PolarHBondContact O-N 2.85Å; R91-S97 PolarHBondContact N-OG 2.87Å; R91-S97 PolarHBondContact O-OG 3.13Å; R91-K302 WeakPolarHBondContact CA-O 2.94Å; R91-K302 HydrophobicContact CG-CB 3.58Å
92	P	94.4	Very high	90.5	Very high	18 Å²	18	71.3 Å²	71.3	12%	0.117	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.8	178.4	-24.9	34.9	0	0	0	112.9	F90 D94 V301 K302	F90-P92 HydrophobicContact CD2-CG 4.42Å; F90-P92 HydrophobicContact CE2-CG 3.99Å; P92-D94 VanDerWaalsContact C-N 3.34Å; P92-D94 PolarHBondContact O-N 2.91Å; P92-V301 HydrophobicContact CG-CG1 3.53Å; P92-K302 WeakPolarHBondContact CD-O 3.43Å
93	N	94.1	Very high	91.2	Very high	129 Å²	129	69.9 Å²	69.9	69%	0.69	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.4	179.7	-67.3	-36.4	0	0	0	114.3	R91 P95 S303	R91-N93 PolarHBondContact O-N 3.33Å; R91-N93 VanDerWaalsContact O-N 3.14Å; N93-P95 WeakPolarHBondContact O-CD 3.01Å; N93-S303 PolarHBondContact ND2-OXT 2.83Å
94	D	95.9	Very high	92.1	Very high	65 Å²	65	69.8 Å²	69.8	35%	0.348	35%	0.353	S	S	.	.			trans	-113.5	103.8	-179.1	179.7	12.7	0	0	0	110.8	R91 P92 K96 S97	R91-D94 HydrophobicContact CB-CB 4.12Å; R91-D94 PolarHBondContact O-N 2.85Å; P92-D94 VanDerWaalsContact C-N 3.34Å; P92-D94 PolarHBondContact O-N 2.91Å; D94-K96 PolarHBondContact O-N 2.94Å; D94-K96 VanDerWaalsContact O-N 3.14Å; D94-K96 WeakPolarHBondContact OD1-CB 3.27Å; D94-K96 PolarHBondContact OD1-N 3.42Å; D94-K96 VanDerWaalsContact OD1-N 3.11Å; D94-S97 WeakPolarHBondContact O-CB 3.5Å; D94-S97 PolarHBondContact O-N 3.45Å; D94-S97 PolarHBondContact O-OG 3.19Å
95	P	94.9	Very high	93.4	Very high	79 Å²	79	61.5 Å²	61.5	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-55.8	-31.1	179	-26.3	35.1	0	0	0	114.5	N93 S97 Y98 E99	N93-P95 WeakPolarHBondContact O-CD 3.01Å; P95-S97 PolarHBondContact O-N 2.77Å; P95-Y98 PolarHBondContact O-N 2.8Å; P95-E99 PolarHBondContact O-N 2.88Å
96	K	95	Very high	94.1	Very high	167 Å²	167	55.5 Å²	55.5	73%	0.726	29%	0.293	S	S	*	.	H	α-helix	trans	-68.3	-24.2	-180	-65.6	-178.1	177.6	178.4	0	112.2	D94	D94-K96 PolarHBondContact O-N 2.94Å; D94-K96 VanDerWaalsContact O-N 3.14Å; D94-K96 WeakPolarHBondContact OD1-CB 3.27Å; D94-K96 PolarHBondContact OD1-N 3.42Å; D94-K96 VanDerWaalsContact OD1-N 3.11Å
97	S	95	Very high	94.7	Very high	33 Å²	33	63.7 Å²	63.7	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-33.1	-177.3	74.9	0	0	0	0	113	R91 D94 P95	R91-S97 PolarHBondContact N-OG 2.87Å; R91-S97 PolarHBondContact O-OG 3.13Å; D94-S97 WeakPolarHBondContact O-CB 3.5Å; D94-S97 PolarHBondContact O-N 3.45Å; D94-S97 PolarHBondContact O-OG 3.19Å; P95-S97 PolarHBondContact O-N 2.77Å
98	Y	94.3	Very high	94.9	Very high	15 Å²	15	62 Å²	62	6%	0.059	31%	0.312	C	S	.	.	H	α-helix	trans	-110.6	-2	-178.7	58	-101.3	0	0	0	114.4	F90 P95 A100 Y101 V102 T166 Y169	F90-Y98 HydrophobicContact CD2-CD1 4.09Å; P95-Y98 PolarHBondContact O-N 2.8Å; Y98-A100 VanDerWaalsContact C-N 3.27Å; Y98-A100 PolarHBondContact O-N 2.86Å; Y98-Y101 WeakPolarHBondContact O-CA 3.37Å; Y98-Y101 WeakPolarHBondContact O-CB 3.07Å; Y98-Y101 PolarHBondContact O-N 2.83Å; Y98-V102 HydrophobicContact CD2-CG2 3.82Å; Y98-V102 HydrophobicContact CE2-CG2 4.43Å; Y98-V102 PolarHBondContact O-N 2.82Å; Y98-T166 HydrophobicContact CE2-CG2 4.31Å; Y98-Y169 HydrophobicContact CD2-CG 4.39Å; Y98-Y169 HydrophobicContact CG-CD1 4.29Å; Y98-Y169 HydrophobicContact CG-CG 4.25Å
99	E	94.6	Very high	95	Very high	107 Å²	107	62 Å²	62	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-51.9	-44.5	178.8	-177	-179	-172.8	0	0	112.2	P95 Y101 V102 L103	P95-E99 PolarHBondContact O-N 2.88Å; E99-Y101 PolarHBondContact O-N 2.89Å; E99-V102 PolarHBondContact O-N 2.04Å; E99-L103 HydrophobicContact CG-CD1 3.86Å; E99-L103 HydrophobicContact CG-CG 4.27Å; E99-L103 WeakPolarHBondContact O-CB 3.38Å; E99-L103 VanDerWaalsContact O-CG 3.27Å; E99-L103 WeakPolarHBondContact O-CG 3.14Å; E99-L103 PolarHBondContact O-N 3.31Å
100	A	93.8	Very high	95.1	Very high	68 Å²	68	65 Å²	65	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-61.3	-33.8	178.8	0	0	0	0	0	112.9	Y98 N104	Y98-A100 VanDerWaalsContact C-N 3.27Å; Y98-A100 PolarHBondContact O-N 2.86Å; A100-N104 WeakPolarHBondContact O-CB 3.43Å; A100-N104 PolarHBondContact O-N 2.72Å
101	Y	94.6	Very high	95.1	Very high	28 Å²	28	69 Å²	69	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-73.4	-48.1	179.2	-54.1	-33.9	0	0	0	110.8	P81 I83 I88 S89 F90 Y98 E99 L103 N104 I105 Y169	P81-Y101 HydrophobicContact CG-CD1 4.44Å; P81-Y101 HydrophobicContact CG-CG 4.48Å; I83-Y101 HydrophobicContact CB-CE1 4.37Å; I83-Y101 HydrophobicContact CD1-CD1 3.17Å; I83-Y101 HydrophobicContact CD1-CE1 3.07Å; I83-Y101 HydrophobicContact CD1-CG 4.15Å; I83-Y101 HydrophobicContact CG1-CD1 3.57Å; I83-Y101 HydrophobicContact CG1-CE1 3.47Å; I83-Y101 VanDerWaalsContact CG1-CE1 3.47Å; I83-Y101 HydrophobicContact CG2-CE1 4.02Å; I88-Y101 HydrophobicContact CG2-CD2 4.17Å; I88-Y101 HydrophobicContact CG2-CE2 3.92Å; S89-Y101 PolarHBondContact N-OH 2.92Å; S89-Y101 VanDerWaalsContact N-OH 3.14Å; S89-Y101 PolarHBondContact O-OH 3.34Å; F90-Y101 HydrophobicContact CB-CD2 4.47Å; F90-Y101 HydrophobicContact CB-CE2 4.03Å; F90-Y101 HydrophobicContact CD1-CE2 4.47Å; Y98-Y101 WeakPolarHBondContact O-CA 3.37Å; Y98-Y101 WeakPolarHBondContact O-CB 3.07Å; Y98-Y101 PolarHBondContact O-N 2.83Å; E99-Y101 PolarHBondContact O-N 2.89Å; Y101-L103 PolarHBondContact O-N 3.14Å; Y101-N104 WeakPolarHBondContact O-CB 3.38Å; Y101-N104 PolarHBondContact O-N 3.13Å; Y101-I105 WeakPolarHBondContact O-CG1 3.27Å; Y101-I105 PolarHBondContact O-N 3.49Å; Y101-I105 VanDerWaalsContact O-N 3.1Å; Y101-Y169 HydrophobicContact CD2-CD1 4.11Å; Y101-Y169 AromaticContact CD2-CE1 3.55Å; Y101-Y169 HydrophobicContact CD2-CE1 3.55Å; Y101-Y169 HydrophobicContact CE2-CE1 4.46Å; Y101-Y169 HydrophobicContact CG-CE1 4.07Å
102	V	94.9	Very high	95.2	Very high	20 Å²	20	62.8 Å²	62.8	12%	0.121	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-48.9	176.1	172	0	0	0	0	110.7	Y98 E99 N104 I105 V106 E165 Y167 Y169	Y98-V102 HydrophobicContact CD2-CG2 3.82Å; Y98-V102 HydrophobicContact CE2-CG2 4.43Å; Y98-V102 PolarHBondContact O-N 2.82Å; E99-V102 PolarHBondContact O-N 2.04Å; V102-N104 VanDerWaalsContact C-N 3.26Å; V102-N104 PolarHBondContact O-N 3.37Å; V102-I105 PolarHBondContact O-N 2.87Å; V102-I105 VanDerWaalsContact O-N 3.09Å; V102-V106 HydrophobicContact CG1-CG2 4.06Å; V102-V106 WeakPolarHBondContact O-CG2 3.3Å; V102-V106 PolarHBondContact O-N 3.49Å; V102-E165 VanDerWaalsContact CG1-O 3.32Å; V102-E165 WeakPolarHBondContact CG1-O 3.12Å; V102-Y167 HydrophobicContact CG1-CD2 4.09Å; V102-Y167 HydrophobicContact CG1-CE2 4.25Å; V102-Y169 HydrophobicContact CG2-CD2 4.31Å
103	L	94.3	Very high	95.2	Very high	86 Å²	86	65.8 Å²	65.8	45%	0.45	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-34.9	178.7	-72.9	174.6	0	0	0	112.9	E99 Y101 R107	E99-L103 HydrophobicContact CG-CD1 3.86Å; E99-L103 HydrophobicContact CG-CG 4.27Å; E99-L103 WeakPolarHBondContact O-CB 3.38Å; E99-L103 VanDerWaalsContact O-CG 3.27Å; E99-L103 WeakPolarHBondContact O-CG 3.14Å; E99-L103 PolarHBondContact O-N 3.31Å; Y101-L103 PolarHBondContact O-N 3.14Å; L103-R107 WeakPolarHBondContact O-CB 3.4Å; L103-R107 PolarHBondContact O-N 2.64Å
104	N	94.7	Very high	95.3	Very high	47 Å²	47	64 Å²	64	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-44.4	176	-164	-70.4	0	0	0	111.2	P81 Q82 A100 Y101 V102 F108	P81-N104 HydrophobicContact CB-CB 3.89Å; Q82-N104 PolarHBondContact N-OD1 3.3Å; Q82-N104 VanDerWaalsContact N-OD1 3.14Å; Q82-N104 PolarHBondContact O-ND2 3.45Å; A100-N104 WeakPolarHBondContact O-CB 3.43Å; A100-N104 PolarHBondContact O-N 2.72Å; Y101-N104 WeakPolarHBondContact O-CB 3.38Å; Y101-N104 PolarHBondContact O-N 3.13Å; V102-N104 VanDerWaalsContact C-N 3.26Å; V102-N104 PolarHBondContact O-N 3.37Å; N104-F108 WeakPolarHBondContact O-CB 3.41Å; N104-F108 PolarHBondContact O-N 3.02Å; N104-F108 VanDerWaalsContact O-N 3.1Å
105	I	95.6	Very high	95.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-52.5	176.2	-63.9	167.2	0	0	0	110.5	I80 P81 Y101 V102 R107 F108 L109 Y167 Y169 I177	I80-I105 HydrophobicContact CG2-CG1 4.09Å; P81-I105 HydrophobicContact CB-CG1 4.38Å; Y101-I105 WeakPolarHBondContact O-CG1 3.27Å; Y101-I105 PolarHBondContact O-N 3.49Å; Y101-I105 VanDerWaalsContact O-N 3.1Å; V102-I105 PolarHBondContact O-N 2.87Å; V102-I105 VanDerWaalsContact O-N 3.09Å; I105-R107 PolarHBondContact O-N 3.49Å; I105-F108 WeakPolarHBondContact O-CB 3.44Å; I105-F108 PolarHBondContact O-N 3.22Å; I105-F108 VanDerWaalsContact O-N 3.1Å; I105-L109 HydrophobicContact CG2-CD1 3.77Å; I105-L109 HydrophobicContact CG2-CG 4.24Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 2.85Å; I105-Y167 HydrophobicContact CB-CD2 4.45Å; I105-Y167 HydrophobicContact CB-CE2 4.37Å; I105-Y167 HydrophobicContact CD1-CD1 4.49Å; I105-Y167 HydrophobicContact CD1-CD2 4.43Å; I105-Y167 HydrophobicContact CD1-CG 4.08Å; I105-Y167 HydrophobicContact CG2-CD1 3.66Å; I105-Y167 HydrophobicContact CG2-CD2 4.15Å; I105-Y167 HydrophobicContact CG2-CE1 3.39Å; I105-Y167 HydrophobicContact CG2-CE2 3.92Å; I105-Y167 HydrophobicContact CG2-CG 4.03Å; I105-Y169 HydrophobicContact CD1-CE2 3.97Å; I105-I177 HydrophobicContact CG2-CD1 3.66Å
106	V	95.5	Very high	95.2	Very high	53 Å²	53	62.7 Å²	62.7	32%	0.321	32%	0.32	S	S	.	.	H	α-helix	trans	-56.8	-50.1	-179.2	172.8	0	0	0	0	110.8	V102 F108 L109 E110 Y167	V102-V106 HydrophobicContact CG1-CG2 4.06Å; V102-V106 WeakPolarHBondContact O-CG2 3.3Å; V102-V106 PolarHBondContact O-N 3.49Å; V106-F108 PolarHBondContact O-N 3.31Å; V106-L109 PolarHBondContact O-N 2.96Å; V106-L109 VanDerWaalsContact O-N 3.15Å; V106-E110 PolarHBondContact O-N 3.13Å; V106-Y167 HydrophobicContact CG2-CE2 3.58Å
107	R	95.6	Very high	95.3	Very high	195 Å²	195	55 Å²	55	74%	0.736	29%	0.287	S	S	*	.	H	α-helix	trans	-60	-36.8	179.3	-174.3	-176.2	-63.6	161.8	1.5	112	L103 I105	L103-R107 WeakPolarHBondContact O-CB 3.4Å; L103-R107 PolarHBondContact O-N 2.64Å; I105-R107 PolarHBondContact O-N 3.49Å
108	F	95.9	Very high	95.3	Very high	29 Å²	29	62.6 Å²	62.6	13%	0.127	31%	0.311	C	S	.	.	H	α-helix	trans	-70.5	-41.2	177	174.9	-95.2	0	0	0	112.5	I80 N104 I105 V106 E110 Y112 K179 L258	I80-F108 HydrophobicContact CD1-CB 4.4Å; I80-F108 HydrophobicContact CD1-CD1 3.38Å; I80-F108 HydrophobicContact CD1-CD2 3.5Å; I80-F108 VanDerWaalsContact CD1-CD2 3.5Å; I80-F108 HydrophobicContact CD1-CE1 3.28Å; I80-F108 HydrophobicContact CD1-CE2 3.42Å; I80-F108 VanDerWaalsContact CD1-CE2 3.42Å; I80-F108 HydrophobicContact CD1-CG 3.46Å; I80-F108 VanDerWaalsContact CD1-CG 3.46Å; I80-F108 HydrophobicContact CD1-CZ 3.3Å; I80-F108 HydrophobicContact CG1-CD1 4.48Å; I80-F108 HydrophobicContact CG1-CD2 4.35Å; I80-F108 HydrophobicContact CG1-CG 4.28Å; I80-F108 HydrophobicContact CG2-CB 4.09Å; I80-F108 HydrophobicContact CG2-CD1 4.44Å; I80-F108 HydrophobicContact CG2-CG 4.29Å; N104-F108 WeakPolarHBondContact O-CB 3.41Å; N104-F108 PolarHBondContact O-N 3.02Å; N104-F108 VanDerWaalsContact O-N 3.1Å; I105-F108 WeakPolarHBondContact O-CB 3.44Å; I105-F108 PolarHBondContact O-N 3.22Å; I105-F108 VanDerWaalsContact O-N 3.1Å; V106-F108 PolarHBondContact O-N 3.31Å; F108-E110 VanDerWaalsContact C-N 3.3Å; F108-E110 PolarHBondContact O-N 2.71Å; F108-Y112 HydrophobicContact CD1-CE2 4.39Å; F108-Y112 HydrophobicContact CE1-CD2 4.31Å; F108-Y112 AromaticContact CE1-CE2 3.65Å; F108-Y112 HydrophobicContact CE1-CE2 3.65Å; F108-Y112 AromaticContact CZ-CE2 3.77Å; F108-Y112 HydrophobicContact CZ-CE2 3.77Å; F108-K179 HydrophobicContact CE2-CD 4.19Å; F108-K179 HydrophobicContact CZ-CD 4.09Å; F108-L258 HydrophobicContact CE1-CD1 3.79Å; F108-L258 HydrophobicContact CE1-CD2 3.69Å; F108-L258 HydrophobicContact CE1-CG 4.4Å; F108-L258 HydrophobicContact CZ-CD2 3.77Å
109	L	96.3	Very high	95.3	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-77	-12.5	-177.8	-70.3	-177.6	0	0	0	113.8	I105 V106 K111 Y112 K113 L153 L156 Y167 I177 L258	I105-L109 HydrophobicContact CG2-CD1 3.77Å; I105-L109 HydrophobicContact CG2-CG 4.24Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 2.85Å; V106-L109 PolarHBondContact O-N 2.96Å; V106-L109 VanDerWaalsContact O-N 3.15Å; L109-K111 PolarHBondContact O-N 2.83Å; L109-K111 VanDerWaalsContact O-N 3.13Å; L109-Y112 HydrophobicContact CD2-CD2 4.2Å; L109-Y112 WeakPolarHBondContact O-CA 3.39Å; L109-Y112 WeakPolarHBondContact O-CB 3.46Å; L109-Y112 PolarHBondContact O-N 3.21Å; L109-K113 PolarHBondContact O-N 3.5Å; L109-L153 HydrophobicContact CB-CD2 4.15Å; L109-L153 HydrophobicContact CD1-CD2 4.23Å; L109-L153 HydrophobicContact CD2-CD2 3.79Å; L109-L153 HydrophobicContact CG-CD2 4.28Å; L109-L156 HydrophobicContact CD1-CD1 4.39Å; L109-L156 HydrophobicContact CD2-CD1 3.93Å; L109-Y167 HydrophobicContact CD1-CE1 3.73Å; L109-I177 HydrophobicContact CD1-CD1 3.68Å; L109-I177 HydrophobicContact CD2-CD1 3.91Å; L109-I177 HydrophobicContact CG-CD1 3.96Å; L109-L258 HydrophobicContact CD2-CD1 3.7Å
110	E	96	Very high	95.3	Very high	89 Å²	89	65 Å²	65	42%	0.416	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-51.7	-40.1	178.3	-166.2	62.3	-145.5	0	0	113	V106 F108 Y112 K113	V106-E110 PolarHBondContact O-N 3.13Å; F108-E110 VanDerWaalsContact C-N 3.3Å; F108-E110 PolarHBondContact O-N 2.71Å; E110-Y112 PolarHBondContact O-N 2.82Å; E110-K113 PolarHBondContact O-N 3.35Å; E110-K113 WeakPolarHBondContact OE1-CD 3.42Å; E110-K113 WeakPolarHBondContact OE1-CE 3.24Å; E110-K113 IonicContact OE1-NZ 2.73Å; E110-K113 PolarHBondContact OE1-NZ 2.85Å; E110-K113 WeakPolarHBondContact OE2-CE 3.41Å; E110-K113 IonicContact OE2-NZ 3.87Å; E110-K113 PolarHBondContact OE2-NZ 3.35Å
111	K	96.1	Very high	95.3	Very high	87 Å²	87	69.5 Å²	69.5	38%	0.378	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-72.7	-12.1	178.7	70.8	-172.3	-179.6	177.2	0	114.4	L109 L255	L109-K111 PolarHBondContact O-N 2.83Å; L109-K111 VanDerWaalsContact O-N 3.13Å; K111-L255 HydrophobicContact CB-CD2 4.44Å; K111-L255 HydrophobicContact CD-CD2 4.37Å; K111-L255 HydrophobicContact CG-CD2 4.04Å
112	Y	97	Very high	95.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-100.1	-0.5	179.3	-70.6	-89.2	0	0	0	112.6	F108 L109 E110 Q117 F151 L255 Q256 L258	F108-Y112 HydrophobicContact CD1-CE2 4.39Å; F108-Y112 HydrophobicContact CE1-CD2 4.31Å; F108-Y112 AromaticContact CE1-CE2 3.65Å; F108-Y112 HydrophobicContact CE1-CE2 3.65Å; F108-Y112 AromaticContact CZ-CE2 3.77Å; F108-Y112 HydrophobicContact CZ-CE2 3.77Å; L109-Y112 HydrophobicContact CD2-CD2 4.2Å; L109-Y112 WeakPolarHBondContact O-CA 3.39Å; L109-Y112 WeakPolarHBondContact O-CB 3.46Å; L109-Y112 PolarHBondContact O-N 3.21Å; E110-Y112 PolarHBondContact O-N 2.82Å; Y112-Q117 PolarHBondContact O-NE2 3.19Å; Y112-F151 HydrophobicContact CD1-CB 3.91Å; Y112-F151 AromaticContact CD1-CD1 3.7Å; Y112-F151 HydrophobicContact CD1-CD1 3.7Å; Y112-F151 HydrophobicContact CD1-CG 4.11Å; Y112-F151 HydrophobicContact CE1-CB 4.02Å; Y112-F151 HydrophobicContact CE1-CD1 4.01Å; Y112-F151 HydrophobicContact CE1-CG 4.13Å; Y112-L255 HydrophobicContact CD1-CB 4.3Å; Y112-L255 HydrophobicContact CD1-CD1 4.24Å; Y112-L255 HydrophobicContact CD1-CD2 4.18Å; Y112-L255 HydrophobicContact CD1-CG 4.47Å; Y112-L255 HydrophobicContact CE1-CB 3.81Å; Y112-L255 HydrophobicContact CE1-CD2 4.06Å; Y112-L255 HydrophobicContact CE1-CG 4.35Å; Y112-L255 HydrophobicContact CG-CD2 4.48Å; Y112-Q256 WeakPolarHBondContact CE1-O 3.17Å; Y112-Q256 VanDerWaalsContact OH-CG 3.31Å; Y112-Q256 WeakPolarHBondContact OH-CG 3.11Å; Y112-Q256 PolarHBondContact OH-O 2.92Å; Y112-L258 HydrophobicContact CD1-CD1 4.1Å; Y112-L258 HydrophobicContact CD2-CD1 3.97Å; Y112-L258 HydrophobicContact CE1-CD1 3.8Å; Y112-L258 HydrophobicContact CE1-CG 3.97Å; Y112-L258 HydrophobicContact CE2-CD1 3.64Å; Y112-L258 HydrophobicContact CE2-CD2 4.35Å; Y112-L258 HydrophobicContact CE2-CG 4.26Å; Y112-L258 HydrophobicContact CG-CD1 4.18Å
113	K	96.1	Very high	95.4	Very high	80 Å²	80	68.7 Å²	68.7	35%	0.348	34%	0.335	S	S	.	.	S	Bend	trans	-62.3	148	172.5	-69.7	-177.6	178.1	171.1	0	110.9	L109 E110 S115 A116 L153	L109-K113 PolarHBondContact O-N 3.5Å; E110-K113 PolarHBondContact O-N 3.35Å; E110-K113 WeakPolarHBondContact OE1-CD 3.42Å; E110-K113 WeakPolarHBondContact OE1-CE 3.24Å; E110-K113 IonicContact OE1-NZ 2.73Å; E110-K113 PolarHBondContact OE1-NZ 2.85Å; E110-K113 WeakPolarHBondContact OE2-CE 3.41Å; E110-K113 IonicContact OE2-NZ 3.87Å; E110-K113 PolarHBondContact OE2-NZ 3.35Å; K113-S115 PolarHBondContact O-N 3.02Å; K113-A116 WeakPolarHBondContact O-CB 3.48Å; K113-A116 PolarHBondContact O-N 3.46Å; K113-L153 HydrophobicContact CG-CD1 4.11Å
114	D	94.4	Very high	95.5	Very high	93 Å²	93	66.4 Å²	66.4	50%	0.497	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.8	179.7	-57.8	-36.2	0	0	0	112	A116 Q117	D114-A116 PolarHBondContact O-N 2.84Å; D114-Q117 PolarHBondContact O-N 2.78Å; D114-Q117 VanDerWaalsContact O-N 3.12Å
115	S	94.7	Very high	95.5	Very high	69 Å²	69	68.9 Å²	68.9	48%	0.483	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-61.2	-30.8	174.5	59.4	0	0	0	0	113.4	K113 Q117	K113-S115 PolarHBondContact O-N 3.02Å; S115-Q117 VanDerWaalsContact C-N 3.32Å
116	A	95.3	Very high	95.5	Very high	47 Å²	47	69.4 Å²	69.4	39%	0.388	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-81	-12.7	178.4	0	0	0	0	0	113.2	K113 D114 F123	K113-A116 WeakPolarHBondContact O-CB 3.48Å; K113-A116 PolarHBondContact O-N 3.46Å; D114-A116 PolarHBondContact O-N 2.84Å; A116-F123 WeakPolarHBondContact O-CE2 3.48Å
117	Q	96.2	Very high	95.4	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.028	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-112.2	15.7	-171.4	-62.5	-176.7	74.8	0	0	114	Y112 D114 S115 D119 F123 R150 F151 L255	Y112-Q117 PolarHBondContact O-NE2 3.19Å; D114-Q117 PolarHBondContact O-N 2.78Å; D114-Q117 VanDerWaalsContact O-N 3.12Å; S115-Q117 VanDerWaalsContact C-N 3.32Å; Q117-D119 PolarHBondContact O-N 3.46Å; Q117-F123 HydrophobicContact CB-CD1 4.39Å; Q117-F123 HydrophobicContact CB-CD2 4.42Å; Q117-F123 HydrophobicContact CB-CE1 4.5Å; Q117-F123 HydrophobicContact CB-CG 4.34Å; Q117-F123 HydrophobicContact CG-CD1 4.36Å; Q117-F123 HydrophobicContact CG-CE1 4.11Å; Q117-F123 HydrophobicContact CG-CZ 4.29Å; Q117-R150 HydrophobicContact CB-CG 4.39Å; Q117-R150 PolarHBondContact O-NE 2.9Å; Q117-R150 PolarHBondContact O-NH2 2.88Å; Q117-R150 VanDerWaalsContact O-NH2 3.17Å; Q117-F151 PolarHBondContact NE2-O 2.92Å; Q117-L255 HydrophobicContact CG-CD1 3.65Å
118	R	94.6	Very high	95.2	Very high	192 Å²	192	63.6 Å²	63.6	73%	0.725	33%	0.33	S	S	*	.			trans	-70.6	-27	-171.6	-69.5	-177.5	176.6	171.3	1.8	115.5	D120	R118-D120 PolarHBondContact O-N 2.84Å
119	D	95.3	Very high	95.1	Very high	69 Å²	69	67.4 Å²	67.4	37%	0.369	36%	0.355	S	S	.	.			trans	-77.1	104.8	-173.3	-175.5	-13.2	0	0	0	111.7	Q117 M121 I122 F123	Q117-D119 PolarHBondContact O-N 3.46Å; D119-M121 PolarHBondContact O-N 2.84Å; D119-M121 VanDerWaalsContact OD1-CB 3.29Å; D119-M121 WeakPolarHBondContact OD1-CB 3.28Å; D119-M121 PolarHBondContact OD1-N 3.12Å; D119-I122 HydrophobicContact CB-CB 4.5Å; D119-I122 HydrophobicContact CB-CD1 4.39Å; D119-I122 HydrophobicContact CB-CG1 4.49Å; D119-I122 PolarHBondContact O-N 3Å; D119-I122 VanDerWaalsContact OD2-CD1 3.24Å; D119-I122 WeakPolarHBondContact OD2-CD1 3.28Å; D119-F123 HydrophobicContact CB-CD2 4.39Å; D119-F123 WeakPolarHBondContact O-CB 3.29Å; D119-F123 WeakPolarHBondContact O-CD2 3.32Å; D119-F123 PolarHBondContact O-N 3.12Å
120	D	94.4	Very high	95	Very high	104 Å²	104	67.6 Å²	67.6	56%	0.556	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.3	179.9	-66.7	-41.9	0	0	0	114.3	R118 F123 K147 R150	R118-D120 PolarHBondContact O-N 2.84Å; D120-F123 CarbonylContact C-O 3.59Å; D120-F123 VanDerWaalsContact O-O 3.11Å; D120-K147 PolarHBondContact O-NZ 3.18Å; D120-R150 IonicContact OD1-CZ 2.83Å; D120-R150 IonicContact OD1-NH1 2.64Å; D120-R150 PolarHBondContact OD1-NH1 2.94Å; D120-R150 IonicContact OD1-NH2 3.73Å; D120-R150 PolarHBondContact OD1-NH2 2.8Å
121	M	93.1	Very high	95	Very high	161 Å²	161	65.2 Å²	65.2	79%	0.793	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-36.9	173.6	-61.8	-171.1	67.8	0	0	110.7	D119	D119-M121 PolarHBondContact O-N 2.84Å; D119-M121 VanDerWaalsContact OD1-CB 3.29Å; D119-M121 WeakPolarHBondContact OD1-CB 3.28Å; D119-M121 PolarHBondContact OD1-N 3.12Å
122	I	94.9	Very high	94.9	Very high	25 Å²	25	68 Å²	68	13%	0.128	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-41.4	-178.7	-57.4	174.5	0	0	0	111.3	D119 K147 V148 K253	D119-I122 HydrophobicContact CB-CB 4.5Å; D119-I122 HydrophobicContact CB-CD1 4.39Å; D119-I122 HydrophobicContact CB-CG1 4.49Å; D119-I122 PolarHBondContact O-N 3Å; D119-I122 VanDerWaalsContact OD2-CD1 3.24Å; D119-I122 WeakPolarHBondContact OD2-CD1 3.28Å; I122-K147 CarbonylContact O-C 3.56Å; I122-K147 VanDerWaalsContact O-CA 3.25Å; I122-K147 WeakPolarHBondContact O-CA 3.21Å; I122-V148 HydrophobicContact CG2-CG2 4.49Å; I122-V148 PolarHBondContact O-N 3.42Å; I122-K253 HydrophobicContact CD1-CD 4Å; I122-K253 VanDerWaalsContact CD1-NZ 3.3Å; I122-K253 HydrophobicContact CG2-CB 4.2Å; I122-K253 HydrophobicContact CG2-CD 4.23Å
123	F	97.1	Very high	94.8	Very high	6 Å²	6	69.9 Å²	69.9	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.6	-173.9	-64.1	-78.6	0	0	0	111.4	A116 Q117 D119 D120 V148 R150 K253 L255	A116-F123 WeakPolarHBondContact O-CE2 3.48Å; Q117-F123 HydrophobicContact CB-CD1 4.39Å; Q117-F123 HydrophobicContact CB-CD2 4.42Å; Q117-F123 HydrophobicContact CB-CE1 4.5Å; Q117-F123 HydrophobicContact CB-CG 4.34Å; Q117-F123 HydrophobicContact CG-CD1 4.36Å; Q117-F123 HydrophobicContact CG-CE1 4.11Å; Q117-F123 HydrophobicContact CG-CZ 4.29Å; D119-F123 HydrophobicContact CB-CD2 4.39Å; D119-F123 WeakPolarHBondContact O-CB 3.29Å; D119-F123 WeakPolarHBondContact O-CD2 3.32Å; D119-F123 PolarHBondContact O-N 3.12Å; D120-F123 CarbonylContact C-O 3.59Å; D120-F123 VanDerWaalsContact O-O 3.11Å; F123-V148 CarbonylContact C-O 3.58Å; F123-V148 WeakPolarHBondContact CA-O 3.44Å; F123-V148 HydrophobicContact CD1-CB 3.98Å; F123-V148 HydrophobicContact CD1-CG1 4.01Å; F123-V148 HydrophobicContact CE1-CB 4.25Å; F123-V148 HydrophobicContact CE1-CG1 4.02Å; F123-R150 HydrophobicContact CB-CG 3.73Å; F123-R150 HydrophobicContact CD1-CG 4.36Å; F123-R150 HydrophobicContact CG-CG 4.37Å; F123-K253 HydrophobicContact CE1-CB 4.44Å; F123-K253 HydrophobicContact CE2-CD 4.29Å; F123-K253 HydrophobicContact CZ-CB 3.96Å; F123-K253 HydrophobicContact CZ-CD 4.2Å; F123-L255 HydrophobicContact CE1-CD1 3.91Å; F123-L255 HydrophobicContact CE1-CG 4.26Å
124	E	96.1	Very high	94.8	Very high	38 Å²	38	69.1 Å²	69.1	18%	0.178	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.2	172.5	61.4	171.1	-137.3	0	0	111.1	C126 K134 R136 K147 V148 C149 R150	E124-C126 PolarHBondContact OE1-SG 3.31Å; E124-K134 VanDerWaalsContact OE1-CD 3.32Å; E124-K134 WeakPolarHBondContact OE1-CD 3.25Å; E124-K134 IonicContact OE1-NZ 2.95Å; E124-K134 PolarHBondContact OE1-NZ 2.98Å; E124-K134 VanDerWaalsContact OE1-NZ 3.12Å; E124-R136 IonicContact OE1-CZ 3.15Å; E124-R136 IonicContact OE1-NH1 3.12Å; E124-R136 PolarHBondContact OE1-NH1 3.21Å; E124-R136 VanDerWaalsContact OE1-NH1 3.15Å; E124-R136 IonicContact OE1-NH2 3.37Å; E124-R136 PolarHBondContact OE1-NH2 2.86Å; E124-R136 IonicContact OE2-CZ 2.77Å; E124-R136 IonicContact OE2-NH1 2.72Å; E124-R136 PolarHBondContact OE2-NH1 2.84Å; E124-R136 IonicContact OE2-NH2 3.7Å; E124-K147 HydrophobicContact CB-CB 4.25Å; E124-K147 HydrophobicContact CB-CD 3.89Å; E124-K147 HydrophobicContact CG-CB 3.97Å; E124-K147 HydrophobicContact CG-CD 4.48Å; E124-K147 WeakPolarHBondContact OE2-CB 3.43Å; E124-V148 PolarHBondContact N-O 2.92Å; E124-C149 WeakPolarHBondContact O-CA 3.33Å; E124-R150 PolarHBondContact O-N 2.88Å
125	D	95.4	Very high	94.8	Very high	100 Å²	100	70.7 Å²	70.7	54%	0.535	38%	0.378	S	S	.	.			trans	-77.9	122.3	170.4	-67.5	-57.2	0	0	0	110.2	R150	D125-R150 VanDerWaalsContact OD1-CD 3.3Å; D125-R150 WeakPolarHBondContact OD1-CD 3.38Å; D125-R150 IonicContact OD1-NH1 3.49Å; D125-R150 PolarHBondContact OD1-NH1 3.3Å; D125-R150 IonicContact OD2-NH1 2.8Å; D125-R150 PolarHBondContact OD2-NH1 2.88Å
126	C	94.6	Very high	94.7	Very high	10 Å²	10	68.8 Å²	68.8	7%	0.068	36%	0.36	C	S	.	.			trans	-101.2	11.8	-178.5	-67.2	0	0	0	0	114	E124 K134 C149 Q241	E124-C126 PolarHBondContact OE1-SG 3.31Å; C126-K134 HydrophobicContact CB-CD 4.48Å; C126-K134 PolarHBondContact SG-NZ 2.73Å; C126-C149 HydrophobicContact CB-CB 3.75Å; C126-C149 WeakPolarHBondContact CB-SG 3.43Å; C126-C149 WeakPolarHBondContact SG-CA 3.38Å; C126-C149 WeakPolarHBondContact SG-CB 3.4Å; C126-C149 CovalentContact SG-SG 2.03Å; C126-C149 PolarHBondContact SG-SG 3.48Å; C126-Q241 HydrophobicContact CB-CG 4.21Å; C126-Q241 VanDerWaalsContact O-CD 3.27Å; C126-Q241 PolarHBondContact O-NE2 3.14Å; C126-Q241 PolarHBondContact O-OE1 3.3Å
127	G	93.6	Very high	94.5	Very high	39 Å²	39	67.9 Å²	67.9	40%	0.402	36%	0.356	S	S	.	.			trans	81.1	156.9	-176.5	0	0	0	0	0	113	V129 Q241	G127-V129 VanDerWaalsContact C-N 3.35Å; G127-Q241 PolarHBondContact O-NE2 3.29Å
128	D	93.1	Very high	94.3	Very high	88 Å²	88	74.4 Å²	74.4	47%	0.471	39%	0.386	S	S	.	.	S	Bend	trans	-90.2	2	-176.9	-57.2	-59.3	0	0	0	113.3	K152 L232	D128-K152 IonicContact OD1-NZ 3.7Å; D128-K152 PolarHBondContact OD1-NZ 3.33Å; D128-K152 IonicContact OD2-NZ 3.66Å; D128-L232 VanDerWaalsContact O-CD2 3.28Å; D128-L232 WeakPolarHBondContact O-CD2 3.42Å
129	V	92.9	Very high	94	Very high	108 Å²	108	68.5 Å²	68.5	66%	0.655	37%	0.366	S	S	*	.	S	Bend	trans	-122.1	140	177.9	-178.3	0	0	0	0	109.5	G127 S131 L232 Q241	G127-V129 VanDerWaalsContact C-N 3.35Å; V129-S131 PolarHBondContact O-N 2.83Å; V129-L232 VanDerWaalsContact C-CD2 3.49Å; V129-Q241 PolarHBondContact O-OE1 2.93Å; V129-Q241 VanDerWaalsContact O-OE1 3.1Å
130	P	94.6	Very high	93.8	Very high	9 Å²	9	66.3 Å²	66.3	6%	0.058	35%	0.354	C	S	.	.			trans	-59.1	123.2	178.8	-22.6	32.8	0	0	0	112.7	N207 V208 L232 P239	P130-N207 HydrophobicContact CB-CB 4.08Å; P130-N207 WeakPolarHBondContact O-CB 3.34Å; P130-N207 PolarHBondContact O-ND2 3.27Å; P130-V208 HydrophobicContact CB-CG2 3.48Å; P130-V208 VanDerWaalsContact CB-CG2 3.48Å; P130-V208 HydrophobicContact CG-CG2 3.5Å; P130-L232 VanDerWaalsContact CD-CD2 3.45Å; P130-L232 HydrophobicContact CG-CD2 3.77Å; P130-P239 HydrophobicContact CB-CB 3.98Å; P130-P239 HydrophobicContact CG-CB 4.33Å
131	S	94.8	Very high	93.4	Very high	39 Å²	39	66.8 Å²	66.8	27%	0.273	35%	0.353	S	S	.	.			trans	-119.2	176.3	177	62.8	0	0	0	0	112.6	V129 Q241	V129-S131 PolarHBondContact O-N 2.83Å; S131-Q241 PolarHBondContact O-N 3.33Å; S131-Q241 VanDerWaalsContact O-N 3.1Å; S131-Q241 VanDerWaalsContact OG-CB 3.3Å; S131-Q241 WeakPolarHBondContact OG-CB 3.38Å; S131-Q241 PolarHBondContact OG-OE1 3.17Å
132	E	95	Very high	93.1	Very high	144 Å²	144	66.8 Å²	66.8	67%	0.673	35%	0.351	S	S	*	.	S	Bend	trans	-59.2	157.5	179	-67.3	-173.3	170	0	0	112.6	K134 Q241	E132-K134 PolarHBondContact O-N 3.06Å; E132-Q241 VanDerWaalsContact O-CA 3.28Å; E132-Q241 WeakPolarHBondContact O-CA 3.17Å
133	P	95.4	Very high	92.6	Very high	41 Å²	41	74 Å²	74	27%	0.266	38%	0.376	S	S	.	.			trans	-53.8	128.1	177.6	-24.6	34.2	0	0	0	113.2	E135 L240 Y243	P133-E135 PolarHBondContact O-N 2.87Å; P133-L240 WeakPolarHBondContact CA-O 3.25Å; P133-L240 HydrophobicContact CG-CB 4.04Å; P133-L240 HydrophobicContact CG-CD2 4.07Å; P133-L240 HydrophobicContact CG-CG 4.26Å; P133-Y243 CarbonylContact C-O 3.6Å; P133-Y243 WeakPolarHBondContact CA-O 3.25Å; P133-Y243 WeakPolarHBondContact CB-O 3.11Å
134	K	94.8	Very high	92.2	Very high	64 Å²	64	75.3 Å²	75.3	28%	0.278	39%	0.392	S	S	.	.			trans	-87.9	100.6	177.5	-71.2	-167.1	174.9	-164.1	0	111.2	E124 C126 E132 Q241 Y243	E124-K134 VanDerWaalsContact OE1-CD 3.32Å; E124-K134 WeakPolarHBondContact OE1-CD 3.25Å; E124-K134 IonicContact OE1-NZ 2.95Å; E124-K134 PolarHBondContact OE1-NZ 2.98Å; E124-K134 VanDerWaalsContact OE1-NZ 3.12Å; C126-K134 HydrophobicContact CB-CD 4.48Å; C126-K134 PolarHBondContact SG-NZ 2.73Å; E132-K134 PolarHBondContact O-N 3.06Å; K134-Q241 WeakPolarHBondContact CB-O 3.05Å; K134-Q241 HydrophobicContact CG-CB 4.38Å; K134-Y243 PolarHBondContact N-O 2.86Å; K134-Y243 VanDerWaalsContact N-O 3.15Å
135	E	94.3	Very high	92.1	Very high	126 Å²	126	79.4 Å²	79.4	59%	0.589	41%	0.411	S	S	*	.			trans	-77.5	125.9	176.1	-55.6	-161.3	-159.9	0	0	111.6	P133 K187	P133-E135 PolarHBondContact O-N 2.87Å; E135-K187 IonicContact OE1-NZ 3.76Å; E135-K187 PolarHBondContact OE1-NZ 3.39Å; E135-K187 IonicContact OE2-NZ 2.6Å; E135-K187 PolarHBondContact OE2-NZ 3.1Å
136	R	93.3	Very high	92	Very high	29 Å²	29	75.1 Å²	75.1	11%	0.109	39%	0.387	C	S	.	.			trans	-102.2	21.5	-176.2	-51.4	-172.9	178	-82.9	0.8	112.8	E124 R146 K147 C149 Y246	E124-R136 IonicContact OE1-CZ 3.15Å; E124-R136 IonicContact OE1-NH1 3.12Å; E124-R136 PolarHBondContact OE1-NH1 3.21Å; E124-R136 VanDerWaalsContact OE1-NH1 3.15Å; E124-R136 IonicContact OE1-NH2 3.37Å; E124-R136 PolarHBondContact OE1-NH2 2.86Å; E124-R136 IonicContact OE2-CZ 2.77Å; E124-R136 IonicContact OE2-NH1 2.72Å; E124-R136 PolarHBondContact OE2-NH1 2.84Å; E124-R136 IonicContact OE2-NH2 3.7Å; R136-R146 HydrophobicContact CB-CB 4.08Å; R136-R146 HydrophobicContact CB-CG 4.23Å; R136-R146 PolarHBondContact O-NH1 3.36Å; R136-K147 VanDerWaalsContact CD-O 3.25Å; R136-K147 WeakPolarHBondContact CD-O 3.5Å; R136-K147 PolarHBondContact NE-O 3.3Å; R136-K147 PolarHBondContact NH1-O 2.83Å; R136-C149 PolarHBondContact NH2-SG 2.96Å; R136-C149 VanDerWaalsContact NH2-SG 3.41Å; R136-Y246 HydrophobicContact CB-CD2 4.14Å; R136-Y246 HydrophobicContact CB-CE1 4.34Å; R136-Y246 HydrophobicContact CB-CE2 3.57Å; R136-Y246 HydrophobicContact CG-CD2 4.32Å; R136-Y246 HydrophobicContact CG-CE2 3.81Å; R136-Y246 PolarHBondContact N-OH 3.46Å
137	G	91.2	Very high	92.1	Very high	28 Å²	28	78.9 Å²	78.9	29%	0.289	40%	0.402	S	S	.	.			trans	88.9	-156.1	-176.6	0	0	0	0	0	113.1	Y246	G137-Y246 PolarHBondContact N-OH 3.38Å; G137-Y246 WeakPolarHBondContact O-CE1 3.39Å; G137-Y246 PolarHBondContact O-OH 2.97Å
138	E	91.1	Very high	92.2	Very high	142 Å²	142	77 Å²	77	66%	0.664	38%	0.383	S	S	*	.			trans	-83.2	162.9	-178.3	-61.9	-175.1	179	0	0	113.2	N140 R146	E138-N140 PolarHBondContact O-N 3.15Å; E138-R146 PolarHBondContact O-NH2 2.85Å
139	F	89.7	Confident	92.4	Very high	68 Å²	68	73 Å²	73	30%	0.298	36%	0.361	S	S	.	.	S	Bend	trans	-79.8	70.4	175.9	-57.5	-86.3	0	0	0	110.5	L64 L184 Y246	L64-F139 VanDerWaalsContact CD1-O 3.25Å; L64-F139 WeakPolarHBondContact CD1-O 3.37Å; F139-L184 HydrophobicContact CD1-CD2 3.8Å; F139-L184 HydrophobicContact CD1-CG 4.41Å; F139-L184 HydrophobicContact CE1-CD2 3.44Å; F139-L184 VanDerWaalsContact CE1-CD2 3.44Å; F139-L184 HydrophobicContact CE1-CG 4Å; F139-L184 HydrophobicContact CZ-CD2 3.97Å; F139-Y246 AromaticContact CD1-CD1 3.74Å; F139-Y246 HydrophobicContact CD1-CD1 3.74Å; F139-Y246 HydrophobicContact CD1-CE1 4.23Å; F139-Y246 AromaticContact CE1-CD1 3.68Å; F139-Y246 HydrophobicContact CE1-CD1 3.68Å; F139-Y246 HydrophobicContact CE1-CE1 4.02Å; F139-Y246 HydrophobicContact CE1-CG 4.21Å; F139-Y246 HydrophobicContact CZ-CD1 4.4Å; F139-Y246 HydrophobicContact CZ-CE1 4.3Å
140	N	90.1	Very high	92.6	Very high	23 Å²	23	69.6 Å²	69.6	12%	0.123	34%	0.337	C	S	.	.	S	Bend	trans	-138.1	173.3	-179.1	65	21.9	0	0	0	111.3	E138 E142 R146 L250	E138-N140 PolarHBondContact O-N 3.15Å; N140-E142 VanDerWaalsContact C-N 3.34Å; N140-E142 HydrophobicContact CB-CG 4.32Å; N140-E142 PolarHBondContact ND2-OE1 3.2Å; N140-E142 PolarHBondContact ND2-OE2 3.25Å; N140-E142 WeakPolarHBondContact OD1-CB 3.08Å; N140-E142 PolarHBondContact OD1-N 3.48Å; N140-R146 PolarHBondContact O-NH2 3.19Å; N140-R146 PolarHBondContact OD1-NH2 3.46Å; N140-L250 WeakPolarHBondContact O-CD2 3.5Å
141	H	87.2	Confident	92.8	Very high	115 Å²	115	69.1 Å²	69.1	53%	0.532	33%	0.334	S	S	.	.	S	Bend	trans	-85.7	-3.5	176.4	-67.9	-81.3	0	0	0	113.7	R143 G144	H141-R143 PolarHBondContact O-N 3.47Å; H141-G144 PolarHBondContact O-N 2.93Å
142	E	86.4	Confident	92.9	Very high	161 Å²	161	70 Å²	70	75%	0.752	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-41.4	-168.5	-64.9	175.4	171.9	0	0	113.8	N140	N140-E142 VanDerWaalsContact C-N 3.34Å; N140-E142 HydrophobicContact CB-CG 4.32Å; N140-E142 PolarHBondContact ND2-OE1 3.2Å; N140-E142 PolarHBondContact ND2-OE2 3.25Å; N140-E142 WeakPolarHBondContact OD1-CB 3.08Å; N140-E142 PolarHBondContact OD1-N 3.48Å
143	R	84.1	Confident	92.9	Very high	176 Å²	176	63.8 Å²	63.8	66%	0.664	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	10.4	177.9	-47.1	-174.8	174	174.7	-6.8	113.3	H141	H141-R143 PolarHBondContact O-N 3.47Å
144	G	89.5	Confident	92.9	Very high	34 Å²	34	67.4 Å²	67.4	35%	0.351	32%	0.318	S	S	.	.			trans	61.4	-146.9	-177.1	0	0	0	0	0	113.8	H141 R146	H141-G144 PolarHBondContact O-N 2.93Å; G144-R146 PolarHBondContact O-NE 3.48Å
145	E	92.9	Very high	93	Very high	123 Å²	123	66 Å²	66	58%	0.575	31%	0.311	S	S	*	.	S	Bend	trans	-64.2	132.2	175.1	-67.5	-170.8	-164.3	0	0	110.8	L250	E145-L250 WeakPolarHBondContact CA-O 3.37Å
146	R	94	Very high	93.1	Very high	11 Å²	11	60 Å²	60	4%	0.042	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-89.3	139.7	-178.4	-47.2	-59.4	163.7	132.4	-2.8	108.9	R136 E138 N140 G144 Y246 L250 Q251	R136-R146 HydrophobicContact CB-CB 4.08Å; R136-R146 HydrophobicContact CB-CG 4.23Å; R136-R146 PolarHBondContact O-NH1 3.36Å; E138-R146 PolarHBondContact O-NH2 2.85Å; N140-R146 PolarHBondContact O-NH2 3.19Å; N140-R146 PolarHBondContact OD1-NH2 3.46Å; G144-R146 PolarHBondContact O-NE 3.48Å; R146-Y246 HydrophobicContact CG-CG 4.45Å; R146-L250 HydrophobicContact CG-CB 4.17Å; R146-L250 PolarHBondContact N-O 2.82Å; R146-Q251 HydrophobicContact CB-CG 3.85Å
147	K	95.8	Very high	93.1	Very high	89 Å²	89	59.9 Å²	59.9	39%	0.387	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-55.8	154.9	175	-64.7	-156.1	177.9	-151.8	0	111.8	D120 I122 E124 R136 Q251	D120-K147 PolarHBondContact O-NZ 3.18Å; I122-K147 CarbonylContact O-C 3.56Å; I122-K147 VanDerWaalsContact O-CA 3.25Å; I122-K147 WeakPolarHBondContact O-CA 3.21Å; E124-K147 HydrophobicContact CB-CB 4.25Å; E124-K147 HydrophobicContact CB-CD 3.89Å; E124-K147 HydrophobicContact CG-CB 3.97Å; E124-K147 HydrophobicContact CG-CD 4.48Å; E124-K147 WeakPolarHBondContact OE2-CB 3.43Å; R136-K147 VanDerWaalsContact CD-O 3.25Å; R136-K147 WeakPolarHBondContact CD-O 3.5Å; R136-K147 PolarHBondContact NE-O 3.3Å; R136-K147 PolarHBondContact NH1-O 2.83Å; K147-Q251 PolarHBondContact O-NE2 2.93Å
148	V	96.9	Very high	93.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129	-178.5	174.5	0	0	0	0	108.6	I122 F123 E124 R150 Q251 Y254 L255	I122-V148 HydrophobicContact CG2-CG2 4.49Å; I122-V148 PolarHBondContact O-N 3.42Å; F123-V148 CarbonylContact C-O 3.58Å; F123-V148 WeakPolarHBondContact CA-O 3.44Å; F123-V148 HydrophobicContact CD1-CB 3.98Å; F123-V148 HydrophobicContact CD1-CG1 4.01Å; F123-V148 HydrophobicContact CE1-CB 4.25Å; F123-V148 HydrophobicContact CE1-CG1 4.02Å; E124-V148 PolarHBondContact N-O 2.92Å; V148-R150 PolarHBondContact O-N 2.96Å; V148-Q251 HydrophobicContact CG2-CB 4.29Å; V148-Q251 HydrophobicContact CG2-CG 4.46Å; V148-Y254 HydrophobicContact CG1-CD2 4.41Å; V148-L255 HydrophobicContact CG1-CB 4.31Å; V148-L255 HydrophobicContact CG1-CG 4.46Å
149	C	97.1	Very high	93.3	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.2	171.3	-74.5	0	0	0	0	110.3	E124 C126 R136 Y242	E124-C149 WeakPolarHBondContact O-CA 3.33Å; C126-C149 HydrophobicContact CB-CB 3.75Å; C126-C149 WeakPolarHBondContact CB-SG 3.43Å; C126-C149 WeakPolarHBondContact SG-CA 3.38Å; C126-C149 WeakPolarHBondContact SG-CB 3.4Å; C126-C149 CovalentContact SG-SG 2.03Å; C126-C149 PolarHBondContact SG-SG 3.48Å; R136-C149 PolarHBondContact NH2-SG 2.96Å; R136-C149 VanDerWaalsContact NH2-SG 3.41Å; C149-Y242 HydrophobicContact CB-CD1 3.54Å; C149-Y242 HydrophobicContact CB-CE1 3.35Å; C149-Y242 HydrophobicContact CB-CG 4.27Å
150	R	97.6	Very high	93.5	Very high	37 Å²	37	52.7 Å²	52.7	14%	0.14	25%	0.253	C	S	.	.			trans	-62.7	143.9	170.6	-70.8	-176.8	173.3	138.6	0.5	110.8	Q117 D120 F123 E124 D125 V148 Y242	Q117-R150 HydrophobicContact CB-CG 4.39Å; Q117-R150 PolarHBondContact O-NE 2.9Å; Q117-R150 PolarHBondContact O-NH2 2.88Å; Q117-R150 VanDerWaalsContact O-NH2 3.17Å; D120-R150 IonicContact OD1-CZ 2.83Å; D120-R150 IonicContact OD1-NH1 2.64Å; D120-R150 PolarHBondContact OD1-NH1 2.94Å; D120-R150 IonicContact OD1-NH2 3.73Å; D120-R150 PolarHBondContact OD1-NH2 2.8Å; F123-R150 HydrophobicContact CB-CG 3.73Å; F123-R150 HydrophobicContact CD1-CG 4.36Å; F123-R150 HydrophobicContact CG-CG 4.37Å; E124-R150 PolarHBondContact O-N 2.88Å; D125-R150 VanDerWaalsContact OD1-CD 3.3Å; D125-R150 WeakPolarHBondContact OD1-CD 3.38Å; D125-R150 IonicContact OD1-NH1 3.49Å; D125-R150 PolarHBondContact OD1-NH1 3.3Å; D125-R150 IonicContact OD2-NH1 2.8Å; D125-R150 PolarHBondContact OD2-NH1 2.88Å; V148-R150 PolarHBondContact O-N 2.96Å; R150-Y242 PolarHBondContact O-OH 2.98Å
151	F	97.4	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.			trans	-127.1	114.6	171.1	-172.8	-79	0	0	0	111	Y112 Q117 W155 L156 Y242 P257 L258	Y112-F151 HydrophobicContact CD1-CB 3.91Å; Y112-F151 AromaticContact CD1-CD1 3.7Å; Y112-F151 HydrophobicContact CD1-CD1 3.7Å; Y112-F151 HydrophobicContact CD1-CG 4.11Å; Y112-F151 HydrophobicContact CE1-CB 4.02Å; Y112-F151 HydrophobicContact CE1-CD1 4.01Å; Y112-F151 HydrophobicContact CE1-CG 4.13Å; Q117-F151 PolarHBondContact NE2-O 2.92Å; F151-W155 VanDerWaalsContact CA-CZ3 3.44Å; F151-W155 HydrophobicContact CB-CZ3 4.05Å; F151-W155 HydrophobicContact CD1-CE3 4.19Å; F151-W155 AromaticContact CD2-CE3 3.58Å; F151-W155 HydrophobicContact CD2-CE3 3.58Å; F151-W155 AromaticContact CD2-CZ3 3.55Å; F151-W155 HydrophobicContact CD2-CZ3 3.55Å; F151-W155 HydrophobicContact CE1-CE3 4.25Å; F151-W155 AromaticContact CE2-CE3 3.64Å; F151-W155 HydrophobicContact CE2-CE3 3.64Å; F151-W155 HydrophobicContact CE2-CZ3 4.06Å; F151-W155 AromaticContact CG-CE3 3.86Å; F151-W155 HydrophobicContact CG-CE3 3.86Å; F151-W155 AromaticContact CG-CZ3 3.8Å; F151-W155 HydrophobicContact CG-CZ3 3.8Å; F151-W155 HydrophobicContact CZ-CB 4.45Å; F151-W155 AromaticContact CZ-CE3 3.98Å; F151-W155 HydrophobicContact CZ-CE3 3.98Å; F151-L156 HydrophobicContact CE1-CD1 4.48Å; F151-L156 HydrophobicContact CE1-CD2 4.18Å; F151-L156 HydrophobicContact CE1-CG 4.12Å; F151-L156 HydrophobicContact CZ-CD2 4.07Å; F151-L156 HydrophobicContact CZ-CG 4.46Å; F151-Y242 HydrophobicContact CB-CE1 4.2Å; F151-Y242 HydrophobicContact CD2-CE1 4.2Å; F151-Y242 AromaticContact CD2-CZ 3.99Å; F151-P257 HydrophobicContact CE2-CB 4.43Å; F151-L258 HydrophobicContact CD1-CD1 4.47Å; F151-L258 HydrophobicContact CE1-CB 3.89Å; F151-L258 HydrophobicContact CE1-CD1 4.13Å; F151-L258 HydrophobicContact CE1-CG 4.2Å; F151-L258 HydrophobicContact CE2-CB 4.36Å; F151-L258 HydrophobicContact CZ-CB 3.7Å; F151-L258 HydrophobicContact CZ-CG 4.38Å; F151-L258 WeakPolarHBondContact CZ-O 3.32Å
152	K	96.6	Very high	93.6	Very high	57 Å²	57	51.8 Å²	51.8	25%	0.248	26%	0.256	C	S	.	.			trans	-83	136.2	-177.9	-60.2	176	-174.5	163.8	0	110.3	D128 E154 W155	D128-K152 IonicContact OD1-NZ 3.7Å; D128-K152 PolarHBondContact OD1-NZ 3.33Å; D128-K152 IonicContact OD2-NZ 3.66Å; K152-E154 PolarHBondContact O-N 2.94Å; K152-W155 HydrophobicContact CB-CD2 3.96Å; K152-W155 HydrophobicContact CB-CE3 4.31Å; K152-W155 HydrophobicContact CB-CG 4.39Å; K152-W155 HydrophobicContact CB-CZ2 4.16Å; K152-W155 HydrophobicContact CD-CZ2 3.87Å; K152-W155 HydrophobicContact CG-CH2 4.31Å; K152-W155 HydrophobicContact CG-CZ2 3.94Å; K152-W155 PolarHBondContact O-N 3.45Å
153	L	96.1	Very high	93.7	Very high	14 Å²	14	51 Å²	51	7%	0.073	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29.5	176.4	-70.1	177.3	0	0	0	112.4	L109 K113 W155 L156 S160	L109-L153 HydrophobicContact CB-CD2 4.15Å; L109-L153 HydrophobicContact CD1-CD2 4.23Å; L109-L153 HydrophobicContact CD2-CD2 3.79Å; L109-L153 HydrophobicContact CG-CD2 4.28Å; K113-L153 HydrophobicContact CG-CD1 4.11Å; L153-W155 PolarHBondContact O-N 2.97Å; L153-W155 VanDerWaalsContact O-N 3.13Å; L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.34Å; L153-S160 WeakPolarHBondContact O-CB 3.42Å
154	E	95.4	Very high	94	Very high	117 Å²	117	44.6 Å²	44.6	55%	0.547	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-53.9	-31.7	177.8	-62.2	173.7	166.4	0	0	113	K152 L156 G157 L162	K152-E154 PolarHBondContact O-N 2.94Å; E154-L156 PolarHBondContact O-N 3.34Å; E154-G157 PolarHBondContact O-N 2.91Å; E154-L162 HydrophobicContact CG-CD1 3.77Å
155	W	96.2	Very high	94	Very high	35 Å²	35	50.6 Å²	50.6	13%	0.133	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-69.6	-13.8	179.1	-57.2	-28.4	0	0	0	113.8	F151 K152 L153 G157 F230 G231 L232 Y242	F151-W155 VanDerWaalsContact CA-CZ3 3.44Å; F151-W155 HydrophobicContact CB-CZ3 4.05Å; F151-W155 HydrophobicContact CD1-CE3 4.19Å; F151-W155 AromaticContact CD2-CE3 3.58Å; F151-W155 HydrophobicContact CD2-CE3 3.58Å; F151-W155 AromaticContact CD2-CZ3 3.55Å; F151-W155 HydrophobicContact CD2-CZ3 3.55Å; F151-W155 HydrophobicContact CE1-CE3 4.25Å; F151-W155 AromaticContact CE2-CE3 3.64Å; F151-W155 HydrophobicContact CE2-CE3 3.64Å; F151-W155 HydrophobicContact CE2-CZ3 4.06Å; F151-W155 AromaticContact CG-CE3 3.86Å; F151-W155 HydrophobicContact CG-CE3 3.86Å; F151-W155 AromaticContact CG-CZ3 3.8Å; F151-W155 HydrophobicContact CG-CZ3 3.8Å; F151-W155 HydrophobicContact CZ-CB 4.45Å; F151-W155 AromaticContact CZ-CE3 3.98Å; F151-W155 HydrophobicContact CZ-CE3 3.98Å; K152-W155 HydrophobicContact CB-CD2 3.96Å; K152-W155 HydrophobicContact CB-CE3 4.31Å; K152-W155 HydrophobicContact CB-CG 4.39Å; K152-W155 HydrophobicContact CB-CZ2 4.16Å; K152-W155 HydrophobicContact CD-CZ2 3.87Å; K152-W155 HydrophobicContact CG-CH2 4.31Å; K152-W155 HydrophobicContact CG-CZ2 3.94Å; K152-W155 PolarHBondContact O-N 3.45Å; L153-W155 PolarHBondContact O-N 2.97Å; L153-W155 VanDerWaalsContact O-N 3.13Å; W155-G157 PolarHBondContact O-N 3.28Å; W155-F230 CarbonylContact O-C 3.57Å; W155-G231 CarbonylContact O-C 3.58Å; W155-G231 VanDerWaalsContact O-CA 3.32Å; W155-G231 WeakPolarHBondContact O-CA 2.92Å; W155-G231 PolarHBondContact O-N 2.74Å; W155-L232 HydrophobicContact CD2-CB 4.26Å; W155-L232 HydrophobicContact CD2-CD1 4.17Å; W155-L232 HydrophobicContact CD2-CG 4Å; W155-L232 HydrophobicContact CE3-CB 4.13Å; W155-L232 HydrophobicContact CE3-CD1 3.73Å; W155-L232 HydrophobicContact CE3-CG 4Å; W155-L232 HydrophobicContact CG-CB 4.48Å; W155-L232 HydrophobicContact CH2-CD1 3.64Å; W155-L232 HydrophobicContact CH2-CG 4.38Å; W155-L232 HydrophobicContact CZ2-CD1 4.1Å; W155-L232 HydrophobicContact CZ2-CG 4.4Å; W155-L232 HydrophobicContact CZ3-CD1 3.42Å; W155-L232 VanDerWaalsContact CZ3-CD1 3.42Å; W155-L232 HydrophobicContact CZ3-CG 4.16Å; W155-Y242 WeakPolarHBondContact CH2-OH 3.35Å; W155-Y242 WeakPolarHBondContact CZ3-OH 3.41Å
156	L	95.9	Very high	94	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-82.9	4	171.5	-59	178.8	0	0	0	112.7	L109 F151 L153 E154 N158 C159 I177 F230 L258 A260	L109-L156 HydrophobicContact CD1-CD1 4.39Å; L109-L156 HydrophobicContact CD2-CD1 3.93Å; F151-L156 HydrophobicContact CE1-CD1 4.48Å; F151-L156 HydrophobicContact CE1-CD2 4.18Å; F151-L156 HydrophobicContact CE1-CG 4.12Å; F151-L156 HydrophobicContact CZ-CD2 4.07Å; F151-L156 HydrophobicContact CZ-CG 4.46Å; L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.34Å; E154-L156 PolarHBondContact O-N 3.34Å; L156-N158 PolarHBondContact O-N 3.17Å; L156-C159 PolarHBondContact O-N 3.46Å; L156-I177 HydrophobicContact CD1-CD1 4.24Å; L156-F230 VanDerWaalsContact C-CB 3.44Å; L156-F230 WeakPolarHBondContact O-CB 3.11Å; L156-L258 HydrophobicContact CD1-CD1 4.18Å; L156-L258 HydrophobicContact CD2-CB 3.88Å; L156-A260 HydrophobicContact CB-CB 4.12Å; L156-A260 HydrophobicContact CD2-CB 3.91Å
157	G	93.9	Very high	94.1	Very high	25 Å²	25	46.2 Å²	46.2	26%	0.258	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	57	-127.7	174.5	0	0	0	0	0	112.2	E154 W155 C159 S160	E154-G157 PolarHBondContact O-N 2.91Å; W155-G157 PolarHBondContact O-N 3.28Å; G157-C159 PolarHBondContact O-N 3.22Å; G157-S160 VanDerWaalsContact O-CB 3.24Å; G157-S160 WeakPolarHBondContact O-CB 3.49Å; G157-S160 PolarHBondContact O-N 3.17Å; G157-S160 PolarHBondContact O-OG 3.42Å
158	N	92.6	Very high	94	Very high	82 Å²	82	42 Å²	42	44%	0.439	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.1	-23	-179.6	-65.6	-9.4	0	0	0	112.9	L156 S160 F230	L156-N158 PolarHBondContact O-N 3.17Å; N158-S160 VanDerWaalsContact C-N 3.32Å; N158-S160 PolarHBondContact O-N 3.01Å; N158-F230 HydrophobicContact CB-CE2 4.12Å; N158-F230 HydrophobicContact CB-CZ 4.21Å
159	C	94.4	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-92.5	15.1	-179.4	-55.5	0	0	0	0	113.3	L156 G157 Y167 C175 A260	L156-C159 PolarHBondContact O-N 3.46Å; G157-C159 PolarHBondContact O-N 3.22Å; C159-Y167 VanDerWaalsContact O-CD1 3.28Å; C159-Y167 WeakPolarHBondContact O-CD1 3.31Å; C159-Y167 VanDerWaalsContact O-CE1 3.28Å; C159-Y167 WeakPolarHBondContact O-CE1 3.39Å; C159-C175 VanDerWaalsContact CA-SG 3.57Å; C159-C175 HydrophobicContact CB-CB 3.63Å; C159-C175 WeakPolarHBondContact CB-SG 3.27Å; C159-C175 WeakPolarHBondContact SG-CB 3.07Å; C159-C175 CovalentContact SG-SG 2.04Å; C159-C175 PolarHBondContact SG-SG 3.25Å; C159-A260 HydrophobicContact CB-CB 3.52Å
160	S	93	Very high	93.7	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.035	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-74.1	-25.2	-178.9	57	0	0	0	0	113.9	L153 G157 N158 L162	L153-S160 WeakPolarHBondContact O-CB 3.42Å; G157-S160 VanDerWaalsContact O-CB 3.24Å; G157-S160 WeakPolarHBondContact O-CB 3.49Å; G157-S160 PolarHBondContact O-N 3.17Å; G157-S160 PolarHBondContact O-OG 3.42Å; N158-S160 VanDerWaalsContact C-N 3.32Å; N158-S160 PolarHBondContact O-N 3.01Å; S160-L162 VanDerWaalsContact C-N 3.29Å; S160-L162 PolarHBondContact OG-N 3.24Å
161	G	90.2	Very high	93.4	Very high	18 Å²	18	52.7 Å²	52.7	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	82.8	2.2	-169.5	0	0	0	0	0	114.1	D164	G161-D164 WeakPolarHBondContact CA-O 3.24Å
162	L	89.8	Confident	93.2	Very high	101 Å²	101	53.1 Å²	53.1	53%	0.529	27%	0.271	S	S	.	.	S	Bend	trans	-82.2	-43	-179.6	-64.9	174.4	0	0	0	112.4	E154 S160	E154-L162 HydrophobicContact CG-CD1 3.77Å; S160-L162 VanDerWaalsContact C-N 3.29Å; S160-L162 PolarHBondContact OG-N 3.24Å
163	N	87.8	Confident	93.1	Very high	146 Å²	146	54 Å²	54	78%	0.781	28%	0.275	S	S	*	.	S	Bend	trans	-95	-33.7	179	-63.3	-27	0	0	0	112.1
164	D	89.9	Confident	93.1	Very high	41 Å²	41	53.3 Å²	53.3	22%	0.219	27%	0.271	C	S	.	.			trans	-133.1	109.7	-178.9	176	20.7	0	0	0	110.4	G161 T166 Y167 G168	G161-D164 WeakPolarHBondContact CA-O 3.24Å; D164-T166 PolarHBondContact O-N 3.34Å; D164-T166 WeakPolarHBondContact OD1-CA 3.22Å; D164-T166 WeakPolarHBondContact OD1-CB 3.05Å; D164-T166 PolarHBondContact OD1-N 2.89Å; D164-T166 PolarHBondContact OD1-OG1 3.29Å; D164-T166 PolarHBondContact OD2-OG1 3.37Å; D164-Y167 PolarHBondContact O-N 2.81Å; D164-Y167 PolarHBondContact OD2-N 3.03Å; D164-G168 WeakPolarHBondContact OD2-CA 3.49Å; D164-G168 PolarHBondContact OD2-N 2.93Å
165	E	90.6	Very high	93	Very high	160 Å²	160	47.7 Å²	47.7	75%	0.748	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.3	177.3	-60.9	-175.9	170	0	0	112.8	V102 Y167	V102-E165 VanDerWaalsContact CG1-O 3.32Å; V102-E165 WeakPolarHBondContact CG1-O 3.12Å; E165-Y167 VanDerWaalsContact O-CD2 3.25Å; E165-Y167 WeakPolarHBondContact O-CD2 3.36Å; E165-Y167 WeakPolarHBondContact O-CE2 3.17Å
166	T	93.4	Very high	93	Very high	28 Å²	28	46.1 Å²	46.1	17%	0.172	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.7	179.4	73.4	0	0	0	0	113.5	Y98 D164 G168 Y169 K170	Y98-T166 HydrophobicContact CE2-CG2 4.31Å; D164-T166 PolarHBondContact O-N 3.34Å; D164-T166 WeakPolarHBondContact OD1-CA 3.22Å; D164-T166 WeakPolarHBondContact OD1-CB 3.05Å; D164-T166 PolarHBondContact OD1-N 2.89Å; D164-T166 PolarHBondContact OD1-OG1 3.29Å; D164-T166 PolarHBondContact OD2-OG1 3.37Å; T166-G168 PolarHBondContact O-N 2.91Å; T166-Y169 WeakPolarHBondContact O-CB 3.33Å; T166-Y169 VanDerWaalsContact O-CD2 3.23Å; T166-Y169 WeakPolarHBondContact O-CD2 3.42Å; T166-Y169 PolarHBondContact O-N 3.27Å; T166-K170 HydrophobicContact CG2-CB 4.2Å; T166-K170 WeakPolarHBondContact OG1-CB 3.34Å
167	Y	94.9	Very high	93.1	Very high	13 Å²	13	46.1 Å²	46.1	5%	0.051	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	40.5	176.3	-60.5	-91.9	0	0	0	113.6	V102 I105 V106 L109 C159 D164 E165 Y169 C175	V102-Y167 HydrophobicContact CG1-CD2 4.09Å; V102-Y167 HydrophobicContact CG1-CE2 4.25Å; I105-Y167 HydrophobicContact CB-CD2 4.45Å; I105-Y167 HydrophobicContact CB-CE2 4.37Å; I105-Y167 HydrophobicContact CD1-CD1 4.49Å; I105-Y167 HydrophobicContact CD1-CD2 4.43Å; I105-Y167 HydrophobicContact CD1-CG 4.08Å; I105-Y167 HydrophobicContact CG2-CD1 3.66Å; I105-Y167 HydrophobicContact CG2-CD2 4.15Å; I105-Y167 HydrophobicContact CG2-CE1 3.39Å; I105-Y167 HydrophobicContact CG2-CE2 3.92Å; I105-Y167 HydrophobicContact CG2-CG 4.03Å; V106-Y167 HydrophobicContact CG2-CE2 3.58Å; L109-Y167 HydrophobicContact CD1-CE1 3.73Å; C159-Y167 VanDerWaalsContact O-CD1 3.28Å; C159-Y167 WeakPolarHBondContact O-CD1 3.31Å; C159-Y167 VanDerWaalsContact O-CE1 3.28Å; C159-Y167 WeakPolarHBondContact O-CE1 3.39Å; D164-Y167 PolarHBondContact O-N 2.81Å; D164-Y167 PolarHBondContact OD2-N 3.03Å; E165-Y167 VanDerWaalsContact O-CD2 3.25Å; E165-Y167 WeakPolarHBondContact O-CD2 3.36Å; E165-Y167 WeakPolarHBondContact O-CE2 3.17Å; Y167-Y169 WeakPolarHBondContact O-CD2 3.28Å; Y167-Y169 PolarHBondContact O-N 3.32Å; Y167-C175 VanDerWaalsContact O-CB 3.27Å; Y167-C175 WeakPolarHBondContact O-CB 3.43Å; Y167-C175 PolarHBondContact O-N 3.49Å; Y167-C175 PolarHBondContact O-SG 3.42Å; Y167-C175 VanDerWaalsContact O-SG 3.4Å
168	G	93.6	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-3.4	179	0	0	0	0	0	115.4	D164 T166 K170 E171 G172 K173	D164-G168 WeakPolarHBondContact OD2-CA 3.49Å; D164-G168 PolarHBondContact OD2-N 2.93Å; T166-G168 PolarHBondContact O-N 2.91Å; G168-K170 VanDerWaalsContact C-N 3.35Å; G168-K170 PolarHBondContact O-N 2.96Å; G168-E171 PolarHBondContact O-N 3.39Å; G168-G172 PolarHBondContact O-N 3.49Å; G168-K173 CarbonylContact C-O 3.06Å; G168-K173 VanDerWaalsContact CA-O 3.26Å; G168-K173 WeakPolarHBondContact CA-O 3.43Å; G168-K173 CarbonylContact O-C 3.47Å; G168-K173 VanDerWaalsContact O-C 3.27Å; G168-K173 PolarHBondContact O-N 2.85Å
169	Y	94.1	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-35.4	-178.5	-76.4	-98.6	0	0	0	112.4	I88 F90 Y98 Y101 V102 I105 T166 Y167 E171 G172 P174 C175	I88-Y169 HydrophobicContact CG2-CE1 3.87Å; F90-Y169 AromaticContact CD1-CD1 3.78Å; F90-Y169 HydrophobicContact CD1-CD1 3.78Å; F90-Y169 AromaticContact CD1-CE1 3.93Å; F90-Y169 HydrophobicContact CD1-CE1 3.93Å; F90-Y169 AromaticContact CD2-CD1 3.97Å; F90-Y169 HydrophobicContact CD2-CD1 3.97Å; F90-Y169 AromaticContact CE1-CD1 3.69Å; F90-Y169 HydrophobicContact CE1-CD1 3.69Å; F90-Y169 AromaticContact CE1-CE1 3.87Å; F90-Y169 HydrophobicContact CE1-CE1 3.87Å; F90-Y169 AromaticContact CE2-CD1 3.9Å; F90-Y169 HydrophobicContact CE2-CD1 3.9Å; F90-Y169 HydrophobicContact CE2-CG 4.48Å; F90-Y169 VanDerWaalsContact CE2-O 3.22Å; F90-Y169 WeakPolarHBondContact CE2-O 3.46Å; F90-Y169 AromaticContact CG-CD1 3.92Å; F90-Y169 HydrophobicContact CG-CD1 3.92Å; F90-Y169 HydrophobicContact CG-CE1 4.45Å; F90-Y169 AromaticContact CZ-CD1 3.75Å; F90-Y169 HydrophobicContact CZ-CD1 3.75Å; F90-Y169 HydrophobicContact CZ-CE1 4.34Å; F90-Y169 HydrophobicContact CZ-CG 4.48Å; Y98-Y169 HydrophobicContact CD2-CG 4.39Å; Y98-Y169 HydrophobicContact CG-CD1 4.29Å; Y98-Y169 HydrophobicContact CG-CG 4.25Å; Y101-Y169 HydrophobicContact CD2-CD1 4.11Å; Y101-Y169 AromaticContact CD2-CE1 3.55Å; Y101-Y169 HydrophobicContact CD2-CE1 3.55Å; Y101-Y169 HydrophobicContact CE2-CE1 4.46Å; Y101-Y169 HydrophobicContact CG-CE1 4.07Å; V102-Y169 HydrophobicContact CG2-CD2 4.31Å; I105-Y169 HydrophobicContact CD1-CE2 3.97Å; T166-Y169 WeakPolarHBondContact O-CB 3.33Å; T166-Y169 VanDerWaalsContact O-CD2 3.23Å; T166-Y169 WeakPolarHBondContact O-CD2 3.42Å; T166-Y169 PolarHBondContact O-N 3.27Å; Y167-Y169 WeakPolarHBondContact O-CD2 3.28Å; Y167-Y169 PolarHBondContact O-N 3.32Å; Y169-E171 VanDerWaalsContact C-N 3.26Å; Y169-E171 PolarHBondContact O-N 3.49Å; Y169-G172 PolarHBondContact O-N 2.8Å; Y169-P174 HydrophobicContact CD1-CB 4.1Å; Y169-P174 HydrophobicContact CD2-CB 4.42Å; Y169-P174 HydrophobicContact CE1-CB 3.82Å; Y169-P174 HydrophobicContact CE2-CB 4.15Å; Y169-P174 HydrophobicContact CG-CB 4.41Å; Y169-C175 PolarHBondContact OH-O 2.93Å
170	K	93.8	Very high	93.5	Very high	139 Å²	139	42.5 Å²	42.5	60%	0.604	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.7	176.8	-174.6	179.6	176.7	-174.7	0	112.9	T166 G168 G172	T166-K170 HydrophobicContact CG2-CB 4.2Å; T166-K170 WeakPolarHBondContact OG1-CB 3.34Å; G168-K170 VanDerWaalsContact C-N 3.35Å; G168-K170 PolarHBondContact O-N 2.96Å; K170-G172 VanDerWaalsContact C-N 3.32Å
171	E	92.8	Very high	93.6	Very high	126 Å²	126	45.2 Å²	45.2	59%	0.589	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.7	179.3	-60.8	-172.2	179.5	0	0	113.1	G168 Y169 K173	G168-E171 PolarHBondContact O-N 3.39Å; Y169-E171 VanDerWaalsContact C-N 3.26Å; Y169-E171 PolarHBondContact O-N 3.49Å; E171-K173 HydrophobicContact CB-CG 4.46Å; E171-K173 PolarHBondContact O-N 3.34Å; E171-K173 IonicContact OE2-NZ 2.84Å
172	G	92.4	Very high	93.9	Very high	8 Å²	8	50.3 Å²	50.3	8%	0.082	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	16.5	-172.5	0	0	0	0	0	114	G168 Y169 K170 P174	G168-G172 PolarHBondContact O-N 3.49Å; Y169-G172 PolarHBondContact O-N 2.8Å; K170-G172 VanDerWaalsContact C-N 3.32Å; G172-P174 VanDerWaalsContact O-CD 3.31Å; G172-P174 WeakPolarHBondContact O-CD 3.49Å
173	K	94.4	Very high	94.2	Very high	75 Å²	75	46.1 Å²	46.1	33%	0.326	22%	0.219	S	C	.	.			trans	-117.1	70.6	-179.7	-62	177.7	-175.4	164.7	0	110.4	G168 E171 Q262 F263 T264	G168-K173 CarbonylContact C-O 3.06Å; G168-K173 VanDerWaalsContact CA-O 3.26Å; G168-K173 WeakPolarHBondContact CA-O 3.43Å; G168-K173 CarbonylContact O-C 3.47Å; G168-K173 VanDerWaalsContact O-C 3.27Å; G168-K173 PolarHBondContact O-N 2.85Å; E171-K173 HydrophobicContact CB-CG 4.46Å; E171-K173 PolarHBondContact O-N 3.34Å; E171-K173 IonicContact OE2-NZ 2.84Å; K173-Q262 HydrophobicContact CB-CG 4.48Å; K173-Q262 PolarHBondContact O-NE2 3.32Å; K173-F263 VanDerWaalsContact CA-O 3.26Å; K173-F263 WeakPolarHBondContact CA-O 3.23Å; K173-T264 HydrophobicContact CD-CG2 4.47Å; K173-T264 WeakPolarHBondContact CE-O 3.27Å
174	P	95	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.			trans	-66	138.4	-167	28.9	-34.8	0	0	0	111.7	F90 Y169 G172 F263 L266 I299	F90-P174 HydrophobicContact CE1-CB 3.85Å; F90-P174 HydrophobicContact CE1-CG 3.92Å; F90-P174 HydrophobicContact CZ-CB 3.88Å; F90-P174 HydrophobicContact CZ-CG 3.97Å; Y169-P174 HydrophobicContact CD1-CB 4.1Å; Y169-P174 HydrophobicContact CD2-CB 4.42Å; Y169-P174 HydrophobicContact CE1-CB 3.82Å; Y169-P174 HydrophobicContact CE2-CB 4.15Å; Y169-P174 HydrophobicContact CG-CB 4.41Å; G172-P174 VanDerWaalsContact O-CD 3.31Å; G172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-F263 PolarHBondContact O-N 2.84Å; P174-L266 HydrophobicContact CG-CD1 3.98Å; P174-I299 HydrophobicContact CG-CG2 4.08Å
175	C	95.4	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.6	168.9	-72.4	0	0	0	0	111.7	C159 Y167 Y169 V261	C159-C175 VanDerWaalsContact CA-SG 3.57Å; C159-C175 HydrophobicContact CB-CB 3.63Å; C159-C175 WeakPolarHBondContact CB-SG 3.27Å; C159-C175 WeakPolarHBondContact SG-CB 3.07Å; C159-C175 CovalentContact SG-SG 2.04Å; C159-C175 PolarHBondContact SG-SG 3.25Å; Y167-C175 VanDerWaalsContact O-CB 3.27Å; Y167-C175 WeakPolarHBondContact O-CB 3.43Å; Y167-C175 PolarHBondContact O-N 3.49Å; Y167-C175 PolarHBondContact O-SG 3.42Å; Y167-C175 VanDerWaalsContact O-SG 3.4Å; Y169-C175 PolarHBondContact OH-O 2.93Å; C175-V261 WeakPolarHBondContact CA-O 3.38Å
176	I	95.8	Very high	94.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.7	168.7	-61.3	-171.9	0	0	0	108.8	Q79 I88 I178 A260 V261 F263 F295 V297 I299	Q79-I176 HydrophobicContact CB-CG2 3.63Å; Q79-I176 HydrophobicContact CG-CG2 4.31Å; I88-I176 HydrophobicContact CD1-CD1 3.61Å; I88-I176 HydrophobicContact CD1-CG1 4.02Å; I176-I178 HydrophobicContact CG2-CG1 4.45Å; I176-A260 CarbonylContact O-C 3.43Å; I176-A260 WeakPolarHBondContact O-CA 3.41Å; I176-V261 PolarHBondContact N-O 3.5Å; I176-V261 PolarHBondContact O-N 3.43Å; I176-F263 HydrophobicContact CB-CE2 4.28Å; I176-F263 HydrophobicContact CD1-CE2 3.69Å; I176-F263 HydrophobicContact CD1-CZ 4.47Å; I176-F263 HydrophobicContact CG1-CE2 3.92Å; I176-F295 HydrophobicContact CG2-CZ 4.46Å; I176-V297 HydrophobicContact CD1-CG1 3.97Å; I176-V297 HydrophobicContact CD1-CG2 4.1Å; I176-I299 HydrophobicContact CD1-CD1 3.73Å
177	I	97.3	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.9	175.3	-54.4	179.6	0	0	0	108.8	Q79 I80 I105 L109 L156 L258 L259	Q79-I177 CarbonylContact C-O 3.4Å; Q79-I177 WeakPolarHBondContact CA-O 3.28Å; I80-I177 HydrophobicContact CB-CB 4.27Å; I80-I177 PolarHBondContact N-O 3.1Å; I80-I177 PolarHBondContact O-N 3.1Å; I105-I177 HydrophobicContact CG2-CD1 3.66Å; L109-I177 HydrophobicContact CD1-CD1 3.68Å; L109-I177 HydrophobicContact CD2-CD1 3.91Å; L109-I177 HydrophobicContact CG-CD1 3.96Å; L156-I177 HydrophobicContact CD1-CD1 4.24Å; I177-L258 HydrophobicContact CG2-CB 4.12Å; I177-L258 HydrophobicContact CG2-CD1 4.25Å; I177-L258 HydrophobicContact CG2-CD2 4.25Å; I177-L258 HydrophobicContact CG2-CG 4.45Å; I177-L259 CarbonylContact C-O 3.57Å
178	I	97.1	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.6	179.4	-50.6	-179.3	0	0	0	109.3	L77 I176 V211 F238 L259 V261 C276 F295	L77-I178 HydrophobicContact CD1-CG2 3.51Å; L77-I178 HydrophobicContact CD2-CG2 3.93Å; L77-I178 HydrophobicContact CG-CG2 3.63Å; I176-I178 HydrophobicContact CG2-CG1 4.45Å; I178-V211 HydrophobicContact CD1-CG1 4Å; I178-F238 HydrophobicContact CG2-CZ 4.05Å; I178-L259 HydrophobicContact CB-CB 4.45Å; I178-L259 PolarHBondContact N-O 2.72Å; I178-L259 PolarHBondContact O-N 2.77Å; I178-V261 HydrophobicContact CD1-CB 4.36Å; I178-V261 HydrophobicContact CD1-CG2 3.43Å; I178-V261 VanDerWaalsContact CD1-CG2 3.43Å; I178-V261 HydrophobicContact CG1-CG2 4.12Å; I178-C276 HydrophobicContact CD1-CB 4.25Å; I178-F295 HydrophobicContact CB-CE1 4.42Å; I178-F295 HydrophobicContact CD1-CE1 3.86Å; I178-F295 HydrophobicContact CD1-CZ 3.89Å; I178-F295 HydrophobicContact CG1-CE1 3.88Å; I178-F295 HydrophobicContact CG1-CZ 3.9Å; I178-F295 HydrophobicContact CG2-CE1 3.77Å
179	K	96	Very high	95	Very high	29 Å²	29	40.5 Å²	40.5	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.1	176	80.5	-177.8	172.5	-170.9	0	111	T78 I80 F108 Q256 L258	T78-K179 PolarHBondContact N-O 3.26Å; T78-K179 PolarHBondContact O-N 2.85Å; T78-K179 WeakPolarHBondContact OG1-CE 3.47Å; T78-K179 WeakPolarHBondContact OG1-CG 3.35Å; T78-K179 PolarHBondContact OG1-O 2.79Å; I80-K179 HydrophobicContact CD1-CD 3.83Å; F108-K179 HydrophobicContact CE2-CD 4.19Å; F108-K179 HydrophobicContact CZ-CD 4.09Å; K179-Q256 VanDerWaalsContact CB-NE2 3.34Å; K179-L258 HydrophobicContact CB-CD2 3.95Å
180	L	96.3	Very high	94.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.2	172.9	-162.8	68.6	0	0	0	110.8	P75 L77 R182 F186 L209 F238 Y243 Q256	P75-L180 HydrophobicContact CB-CD1 4.34Å; P75-L180 HydrophobicContact CB-CG 4.32Å; P75-L180 HydrophobicContact CG-CD1 4.31Å; P75-L180 HydrophobicContact CG-CD2 4.43Å; P75-L180 HydrophobicContact CG-CG 4.46Å; L77-L180 HydrophobicContact CD1-CD1 4.05Å; L180-R182 PolarHBondContact O-N 2.85Å; L180-F186 HydrophobicContact CD2-CE1 4.19Å; L180-L209 HydrophobicContact CD2-CD2 4.02Å; L180-F238 HydrophobicContact CB-CD2 4.21Å; L180-F238 HydrophobicContact CB-CE2 3.93Å; L180-F238 HydrophobicContact CB-CZ 4.1Å; L180-F238 HydrophobicContact CD1-CE2 4.41Å; L180-Y243 HydrophobicContact CD2-CE1 4.2Å; L180-Y243 VanDerWaalsContact CD2-OH 3.26Å; L180-Y243 WeakPolarHBondContact CD2-OH 3.29Å; L180-Q256 PolarHBondContact O-NE2 2.82Å
181	N	96	Very high	94.5	Very high	62 Å²	62	35.1 Å²	35.1	33%	0.332	17%	0.17	S	C	.	.			trans	-65.6	134.2	175.5	-77.5	-9.2	0	0	0	111.3	P75 G76 T78 V183	P75-N181 HydrophobicContact CB-CB 4.45Å; G76-N181 WeakPolarHBondContact O-CB 3.39Å; G76-N181 PolarHBondContact O-N 2.86Å; T78-N181 WeakPolarHBondContact CG2-OD1 2.95Å; N181-V183 PolarHBondContact O-N 3.14Å
182	R	95.6	Very high	94	Very high	125 Å²	125	34.5 Å²	34.5	47%	0.472	17%	0.165	S	C	.	.			trans	-72.6	114.4	179.4	-66.1	179.4	-66.8	173.4	1.3	110	L180 Y245 Y254 Q256	L180-R182 PolarHBondContact O-N 2.85Å; R182-Y245 HydrophobicContact CB-CD1 3.87Å; R182-Y245 HydrophobicContact CB-CE1 4.06Å; R182-Y245 HydrophobicContact CB-CG 4.46Å; R182-Y254 HydrophobicContact CG-CE1 4.25Å; R182-Q256 VanDerWaalsContact CD-OE1 3.25Å; R182-Q256 HydrophobicContact CG-CB 4.36Å; R182-Q256 VanDerWaalsContact CG-OE1 3.25Å
183	V	95.3	Very high	93	Very high	14 Å²	14	39 Å²	39	9%	0.085	19%	0.188	C	C	.	.			trans	-115.2	124.9	171.7	179	0	0	0	0	108.2	V72 P75 N181 G185 F186	V72-V183 HydrophobicContact CG2-CG1 4.32Å; P75-V183 HydrophobicContact CB-CG2 3.95Å; N181-V183 PolarHBondContact O-N 3.14Å; V183-G185 PolarHBondContact O-N 3.41Å; V183-F186 HydrophobicContact CB-CB 3.63Å; V183-F186 HydrophobicContact CB-CG 4.22Å; V183-F186 HydrophobicContact CG1-CB 3.86Å; V183-F186 VanDerWaalsContact O-CB 3.29Å; V183-F186 WeakPolarHBondContact O-CB 3.4Å; V183-F186 PolarHBondContact O-N 3.13Å; V183-F186 VanDerWaalsContact O-N 3.14Å
184	L	95.2	Very high	91.6	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.11	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-64.1	125.9	-176.6	-177.6	156.9	0	0	0	110.3	L64 K65 Q69 F139 F186 Y245	L64-L184 VanDerWaalsContact O-CD1 3.22Å; L64-L184 WeakPolarHBondContact O-CD1 3.33Å; K65-L184 HydrophobicContact CB-CD2 4.31Å; K65-L184 HydrophobicContact CD-CD2 4.34Å; K65-L184 HydrophobicContact CG-CD2 3.95Å; Q69-L184 PolarHBondContact NE2-O 3.25Å; F139-L184 HydrophobicContact CD1-CD2 3.8Å; F139-L184 HydrophobicContact CD1-CG 4.41Å; F139-L184 HydrophobicContact CE1-CD2 3.44Å; F139-L184 VanDerWaalsContact CE1-CD2 3.44Å; F139-L184 HydrophobicContact CE1-CG 4Å; F139-L184 HydrophobicContact CZ-CD2 3.97Å; L184-F186 PolarHBondContact O-N 3.29Å; L184-Y245 CarbonylContact C-O 3.57Å; L184-Y245 WeakPolarHBondContact CA-O 3.37Å
185	G	94.5	Very high	90	Very high	28 Å²	28	45.6 Å²	45.6	29%	0.289	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	1.6	-177.8	0	0	0	0	0	115.4	V183 Y245	V183-G185 PolarHBondContact O-N 3.41Å; G185-Y245 PolarHBondContact N-O 2.72Å
186	F	95.1	Very high	88.4	Confident	24 Å²	24	47.9 Å²	47.9	11%	0.105	24%	0.237	C	C	.	.			trans	-72	131.8	-179.6	-178.2	-102.5	0	0	0	111.7	P75 L180 V183 L184 P188 Y243 P244 N282 I283	P75-F186 HydrophobicContact CG-CD1 4.36Å; P75-F186 HydrophobicContact CG-CE1 3.75Å; P75-F186 HydrophobicContact CG-CE2 4.1Å; P75-F186 HydrophobicContact CG-CZ 3.62Å; L180-F186 HydrophobicContact CD2-CE1 4.19Å; V183-F186 HydrophobicContact CB-CB 3.63Å; V183-F186 HydrophobicContact CB-CG 4.22Å; V183-F186 HydrophobicContact CG1-CB 3.86Å; V183-F186 VanDerWaalsContact O-CB 3.29Å; V183-F186 WeakPolarHBondContact O-CB 3.4Å; V183-F186 PolarHBondContact O-N 3.13Å; V183-F186 VanDerWaalsContact O-N 3.14Å; L184-F186 PolarHBondContact O-N 3.29Å; F186-P188 HydrophobicContact CD1-CG 4.12Å; F186-P188 HydrophobicContact CE1-CB 4.09Å; F186-P188 HydrophobicContact CE1-CG 3.75Å; F186-Y243 HydrophobicContact CD1-CD1 4.47Å; F186-Y243 HydrophobicContact CD1-CE1 4.5Å; F186-P244 WeakPolarHBondContact O-CA 2.97Å; F186-N282 HydrophobicContact CE2-CB 4.34Å; F186-N282 VanDerWaalsContact CE2-ND2 3.29Å; F186-N282 WeakPolarHBondContact CE2-ND2 3.31Å; F186-N282 WeakPolarHBondContact CZ-ND2 3.4Å; F186-I283 HydrophobicContact CE1-CD1 4.35Å; F186-I283 HydrophobicContact CZ-CD1 3.88Å
187	K	95.2	Very high	86.3	Confident	76 Å²	76	56.8 Å²	56.8	33%	0.33	28%	0.279	S	S	.	.			trans	-119.3	107.2	175.9	-63.4	-179.7	-177	178.6	0	108.2	E135 P244 N282	E135-K187 IonicContact OE1-NZ 3.76Å; E135-K187 PolarHBondContact OE1-NZ 3.39Å; E135-K187 IonicContact OE2-NZ 2.6Å; E135-K187 PolarHBondContact OE2-NZ 3.1Å; K187-P244 HydrophobicContact CG-CB 4.04Å; K187-P244 HydrophobicContact CG-CG 4.36Å; K187-N282 PolarHBondContact O-ND2 3.5Å
188	P	94.6	Very high	84.2	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.032	31%	0.308	C	S	.	.			trans	-58.5	140.1	177.9	-20.1	28.8	0	0	0	111.9	F186 L209 L240 Y243	F186-P188 HydrophobicContact CD1-CG 4.12Å; F186-P188 HydrophobicContact CE1-CB 4.09Å; F186-P188 HydrophobicContact CE1-CG 3.75Å; P188-L209 HydrophobicContact CB-CB 4.17Å; P188-L209 HydrophobicContact CB-CD1 4.04Å; P188-L209 HydrophobicContact CB-CD2 4.03Å; P188-L209 HydrophobicContact CB-CG 4.31Å; P188-L240 HydrophobicContact CB-CD1 4.2Å; P188-Y243 HydrophobicContact CG-CD1 3.85Å; P188-Y243 HydrophobicContact CG-CD2 3.5Å; P188-Y243 VanDerWaalsContact CG-CD2 3.5Å; P188-Y243 HydrophobicContact CG-CE1 3.94Å; P188-Y243 HydrophobicContact CG-CE2 3.6Å; P188-Y243 HydrophobicContact CG-CG 3.63Å
189	K	93.2	Very high	82.5	Confident	115 Å²	115	63.6 Å²	63.6	50%	0.5	32%	0.316	S	S	.	.			trans	-115.9	103.5	174.7	-68.7	-175	176.8	-173.1	0	109	G280 E281 N282	K189-G280 CarbonylContact O-C 3.44Å; K189-G280 WeakPolarHBondContact O-CA 3.35Å; K189-E281 HydrophobicContact CB-CB 4Å; K189-E281 HydrophobicContact CB-CG 4.48Å; K189-E281 PolarHBondContact O-N 3.22Å; K189-N282 PolarHBondContact N-OD1 3.12Å
190	P	91.2	Very high	80.5	Confident	17 Å²	17	67 Å²	67	11%	0.11	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-55.3	155.1	175.3	-28.4	38.8	0	0	0	112.1	A206 V208 L240	P190-A206 WeakPolarHBondContact CG-O 3.33Å; P190-V208 WeakPolarHBondContact CB-O 3.34Å; P190-V208 VanDerWaalsContact CG-O 3.28Å; P190-V208 WeakPolarHBondContact CG-O 3.3Å; P190-L240 HydrophobicContact CG-CD1 3.81Å; P190-L240 HydrophobicContact CG-CD2 4Å
191	P	87.3	Confident	78.8	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.065	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-67.2	143.6	179.6	28.8	-33.2	0	0	0	110.5	Y199 Y204 P210 Y279	P191-Y199 HydrophobicContact CB-CE2 4.04Å; P191-Y199 HydrophobicContact CG-CE2 4.42Å; P191-Y204 WeakPolarHBondContact O-CE2 3.28Å; P191-P210 HydrophobicContact CG-CG 3.83Å; P191-Y279 WeakPolarHBondContact CD-O 2.91Å
192	K	82	Confident	77.3	Confident	112 Å²	112	69.6 Å²	69.6	49%	0.487	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-67.3	157.3	177	-59.3	-173.2	-177.9	179.8	0	112.1	E194 S195 E281	K192-E194 PolarHBondContact O-N 3.12Å; K192-E194 VanDerWaalsContact O-N 3.13Å; K192-S195 PolarHBondContact O-N 3.36Å; K192-E281 WeakPolarHBondContact CE-OE1 3.32Å; K192-E281 WeakPolarHBondContact CG-OE1 3.33Å
193	N	71.1	Confident	76	Confident	104 Å²	104	73 Å²	73	56%	0.556	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-49.3	-38.8	175.6	-76.1	-13.3	0	0	0	113.6	S195 L196 Y204	N193-S195 PolarHBondContact O-N 2.92Å; N193-L196 WeakPolarHBondContact O-CB 3.33Å; N193-L196 PolarHBondContact O-N 3.48Å; N193-Y204 WeakPolarHBondContact OD1-CD1 3.39Å; N193-Y204 WeakPolarHBondContact OD1-CD2 3.45Å; N193-Y204 WeakPolarHBondContact OD1-CE1 3.06Å
194	E	63.8	Low	74.9	Confident	162 Å²	162	77.2 Å²	77.2	76%	0.757	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-67.2	-23.1	-179.1	-64.9	152.6	-171.8	0	0	113	K192	K192-E194 PolarHBondContact O-N 3.12Å; K192-E194 VanDerWaalsContact O-N 3.13Å
195	S	63.2	Low	74.2	Confident	50 Å²	50	78.9 Å²	78.9	35%	0.35	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-90.6	1	178	-52.8	0	0	0	0	113.2	K192 N193 E197 T198 Y199	K192-S195 PolarHBondContact O-N 3.36Å; N193-S195 PolarHBondContact O-N 2.92Å; S195-E197 VanDerWaalsContact C-N 3.27Å; S195-E197 PolarHBondContact O-N 2.64Å; S195-T198 WeakPolarHBondContact O-CB 3.49Å; S195-T198 PolarHBondContact O-N 2.82Å; S195-T198 PolarHBondContact O-OG1 3.26Å; S195-Y199 WeakPolarHBondContact O-CD2 3.31Å; S195-Y199 VanDerWaalsContact O-CE2 3.26Å; S195-Y199 WeakPolarHBondContact O-CE2 3.4Å
196	L	60.3	Low	73.9	Confident	48 Å²	48	79.9 Å²	79.9	25%	0.251	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-67.5	-23.4	-179.8	-103.6	94.4	0	0	0	113.9	N193 T198 Y199 M202 Y204	N193-L196 WeakPolarHBondContact O-CB 3.33Å; N193-L196 PolarHBondContact O-N 3.48Å; L196-T198 PolarHBondContact O-N 3.17Å; L196-T198 VanDerWaalsContact O-N 3.12Å; L196-Y199 CarbonylContact O-C 3.39Å; L196-Y199 PolarHBondContact O-N 2.83Å; L196-M202 WeakPolarHBondContact CD2-O 3.3Å; L196-Y204 HydrophobicContact CD1-CD2 3.74Å; L196-Y204 HydrophobicContact CD1-CG 4.07Å
197	E	52.9	Low	73.8	Confident	190 Å²	190	80.6 Å²	80.6	89%	0.888	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-60.3	-22.8	175.1	-64	-174.9	174.2	0	0	112	S195 Y199	S195-E197 VanDerWaalsContact C-N 3.27Å; S195-E197 PolarHBondContact O-N 2.64Å; E197-Y199 VanDerWaalsContact C-N 3.34Å
198	T	53	Low	73.7	Confident	99 Å²	99	77.2 Å²	77.2	61%	0.607	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-81.7	-10.9	176.2	-40.8	0	0	0	0	112.9	S195 L196	S195-T198 WeakPolarHBondContact O-CB 3.49Å; S195-T198 PolarHBondContact O-N 2.82Å; S195-T198 PolarHBondContact O-OG1 3.26Å; L196-T198 PolarHBondContact O-N 3.17Å; L196-T198 VanDerWaalsContact O-N 3.12Å
199	Y	60.2	Low	73.7	Confident	44 Å²	44	77 Å²	77	17%	0.173	41%	0.412	C	S	.	.	S	Bend	trans	-129.6	74.4	-171.2	-50	-55.8	0	0	0	111.6	P191 S195 L196 E197 G201 Y279	P191-Y199 HydrophobicContact CB-CE2 4.04Å; P191-Y199 HydrophobicContact CG-CE2 4.42Å; S195-Y199 WeakPolarHBondContact O-CD2 3.31Å; S195-Y199 VanDerWaalsContact O-CE2 3.26Å; S195-Y199 WeakPolarHBondContact O-CE2 3.4Å; L196-Y199 CarbonylContact O-C 3.39Å; L196-Y199 PolarHBondContact O-N 2.83Å; E197-Y199 VanDerWaalsContact C-N 3.34Å; Y199-G201 PolarHBondContact O-N 2.82Å; Y199-Y279 AromaticContact CD1-CD1 3.54Å; Y199-Y279 HydrophobicContact CD1-CD1 3.54Å; Y199-Y279 HydrophobicContact CD1-CD2 4.2Å; Y199-Y279 AromaticContact CD1-CE1 3.5Å; Y199-Y279 HydrophobicContact CD1-CE1 3.5Å; Y199-Y279 HydrophobicContact CD1-CE2 4.2Å; Y199-Y279 AromaticContact CD1-CG 3.85Å; Y199-Y279 HydrophobicContact CD1-CG 3.85Å; Y199-Y279 AromaticContact CD1-CZ 3.83Å; Y199-Y279 AromaticContact CE1-CD1 2.92Å; Y199-Y279 HydrophobicContact CE1-CD1 2.92Å; Y199-Y279 HydrophobicContact CE1-CD2 4.36Å; Y199-Y279 AromaticContact CE1-CE1 3.09Å; Y199-Y279 HydrophobicContact CE1-CE1 3.09Å; Y199-Y279 AromaticContact CE1-CG 3.59Å; Y199-Y279 HydrophobicContact CE1-CG 3.59Å; Y199-Y279 AromaticContact CE1-CZ 3.91Å; Y199-Y279 HydrophobicContact CE2-CD1 4.45Å; Y199-Y279 AromaticContact CZ-CD1 3.43Å; Y199-Y279 VanDerWaalsContact CZ-CD1 3.43Å; Y199-Y279 AromaticContact CZ-CG 3.95Å
200	P	55.6	Low	73.7	Confident	99 Å²	99	72.4 Å²	72.4	64%	0.643	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	129.1	-174.9	24.1	-32	0	0	0	111.6	Q212	P200-Q212 PolarHBondContact O-NE2 2.69Å
201	G	59.7	Low	73.8	Confident	88 Å²	88	71.6 Å²	71.6	91%	0.907	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	0.9	171.4	0	0	0	0	0	116.4	Y199	Y199-G201 PolarHBondContact O-N 2.82Å
202	M	64.8	Low	74.1	Confident	30 Å²	30	73.2 Å²	73.2	15%	0.148	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-97	130.5	179.7	-68.9	-170	159.6	0	0	112.9	L196 Y204 P210 V211 Q212	L196-M202 WeakPolarHBondContact CD2-O 3.3Å; M202-Y204 PolarHBondContact O-N 2.78Å; M202-P210 HydrophobicContact CE-CB 4.34Å; M202-P210 HydrophobicContact SD-CB 3.66Å; M202-V211 VanDerWaalsContact CE-O 3.22Å; M202-V211 WeakPolarHBondContact CE-O 3.42Å; M202-Q212 HydrophobicContact CE-CB 3.38Å; M202-Q212 HydrophobicContact CE-CG 3.77Å
203	K	68.6	Low	74.6	Confident	198 Å²	198	68.2 Å²	68.2	86%	0.861	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-74.8	120.7	167.3	-68.4	-177.6	-179.3	178.1	0	108.6	N205	K203-N205 PolarHBondContact O-N 2.91Å
204	Y	72.3	Confident	75.6	Confident	102 Å²	102	65.6 Å²	65.6	40%	0.4	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.5	133.2	174.2	176.3	-105.3	0	0	0	110.8	P191 N193 L196 M202 A206	P191-Y204 WeakPolarHBondContact O-CE2 3.28Å; N193-Y204 WeakPolarHBondContact OD1-CD1 3.39Å; N193-Y204 WeakPolarHBondContact OD1-CD2 3.45Å; N193-Y204 WeakPolarHBondContact OD1-CE1 3.06Å; L196-Y204 HydrophobicContact CD1-CD2 3.74Å; L196-Y204 HydrophobicContact CD1-CG 4.07Å; M202-Y204 PolarHBondContact O-N 2.78Å; Y204-A206 HydrophobicContact CE1-CB 4.15Å
205	N	80.1	Confident	76.9	Confident	55 Å²	55	58 Å²	58	29%	0.294	33%	0.327	S	S	.	.			trans	-140	120.8	170.1	-174.7	-25	0	0	0	108.7	K203 N207 V208	K203-N205 PolarHBondContact O-N 2.91Å; N205-N207 PolarHBondContact O-N 3.46Å; N205-N207 VanDerWaalsContact O-N 3.17Å; N205-N207 PolarHBondContact OD1-N 3.02Å; N205-V208 HydrophobicContact CB-CB 4.08Å; N205-V208 HydrophobicContact CB-CG2 4.09Å; N205-V208 WeakPolarHBondContact ND2-CG2 3.25Å; N205-V208 PolarHBondContact O-N 2.92Å
206	A	87.3	Confident	78.2	Confident	49 Å²	49	59.9 Å²	59.9	41%	0.405	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.1	-178.1	0	0	0	0	0	113.5	P190 Y204	P190-A206 WeakPolarHBondContact CG-O 3.33Å; Y204-A206 HydrophobicContact CE1-CB 4.15Å
207	N	93.3	Very high	79.5	Confident	39 Å²	39	64.1 Å²	64.1	21%	0.209	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	11.2	-175.5	-64.1	-30.4	0	0	0	113.4	P130 N205 L240	P130-N207 HydrophobicContact CB-CB 4.08Å; P130-N207 WeakPolarHBondContact O-CB 3.34Å; P130-N207 PolarHBondContact O-ND2 3.27Å; N205-N207 PolarHBondContact O-N 3.46Å; N205-N207 VanDerWaalsContact O-N 3.17Å; N205-N207 PolarHBondContact OD1-N 3.02Å; N207-L240 WeakPolarHBondContact O-CB 3.32Å; N207-L240 PolarHBondContact O-N 2.98Å
208	V	93.7	Very high	81.1	Confident	6 Å²	6	60.7 Å²	60.7	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.7	179.9	179.3	0	0	0	0	109.9	P130 P190 N205 P210 F238	P130-V208 HydrophobicContact CB-CG2 3.48Å; P130-V208 VanDerWaalsContact CB-CG2 3.48Å; P130-V208 HydrophobicContact CG-CG2 3.5Å; P190-V208 WeakPolarHBondContact CB-O 3.34Å; P190-V208 VanDerWaalsContact CG-O 3.28Å; P190-V208 WeakPolarHBondContact CG-O 3.3Å; N205-V208 HydrophobicContact CB-CB 4.08Å; N205-V208 HydrophobicContact CB-CG2 4.09Å; N205-V208 WeakPolarHBondContact ND2-CG2 3.25Å; N205-V208 PolarHBondContact O-N 2.92Å; V208-P210 WeakPolarHBondContact O-CD 3.37Å; V208-F238 WeakPolarHBondContact CA-O 3.44Å
209	L	94.3	Very high	82.7	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	106	168.1	-173.9	76.6	0	0	0	109.1	L180 P188 G237 F238 L240 Y279 I283	L180-L209 HydrophobicContact CD2-CD2 4.02Å; P188-L209 HydrophobicContact CB-CB 4.17Å; P188-L209 HydrophobicContact CB-CD1 4.04Å; P188-L209 HydrophobicContact CB-CD2 4.03Å; P188-L209 HydrophobicContact CB-CG 4.31Å; L209-G237 CarbonylContact O-C 3.53Å; L209-G237 WeakPolarHBondContact O-CA 3.29Å; L209-F238 HydrophobicContact CB-CB 4.3Å; L209-F238 HydrophobicContact CD2-CD2 4.2Å; L209-F238 PolarHBondContact N-O 2.78Å; L209-F238 PolarHBondContact O-N 3.4Å; L209-L240 HydrophobicContact CB-CD1 4.31Å; L209-Y279 WeakPolarHBondContact CD1-O 3.26Å; L209-I283 HydrophobicContact CD1-CG1 4.05Å; L209-I283 HydrophobicContact CD2-CD1 3.96Å; L209-I283 HydrophobicContact CD2-CG1 4.16Å
210	P	93.6	Very high	84.1	Confident	19 Å²	19	60.3 Å²	60.3	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	148.1	-172.2	27.7	-36	0	0	0	113.3	P191 M202 V208 P236 A278 Y279	P191-P210 HydrophobicContact CG-CG 3.83Å; M202-P210 HydrophobicContact CE-CB 4.34Å; M202-P210 HydrophobicContact SD-CB 3.66Å; V208-P210 WeakPolarHBondContact O-CD 3.37Å; P210-P236 WeakPolarHBondContact CA-O 3.24Å; P210-A278 WeakPolarHBondContact O-CA 3.35Å; P210-Y279 WeakPolarHBondContact CD-O 3.5Å; P210-Y279 PolarHBondContact O-N 2.03Å
211	V	93.6	Very high	85.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131	174.7	179	0	0	0	0	109.5	L77 I178 M202 P236 F238 L259 K277 A278	L77-V211 HydrophobicContact CD2-CG1 4.18Å; I178-V211 HydrophobicContact CD1-CG1 4Å; M202-V211 VanDerWaalsContact CE-O 3.22Å; M202-V211 WeakPolarHBondContact CE-O 3.42Å; V211-P236 PolarHBondContact N-O 3.41Å; V211-F238 HydrophobicContact CG2-CD2 3.94Å; V211-F238 HydrophobicContact CG2-CE2 3.56Å; V211-F238 HydrophobicContact CG2-CZ 4.34Å; V211-L259 HydrophobicContact CB-CD2 3.6Å; V211-L259 HydrophobicContact CG1-CD2 4Å; V211-L259 HydrophobicContact CG2-CD2 3.99Å; V211-K277 CarbonylContact C-O 3.53Å; V211-K277 VanDerWaalsContact CA-O 3.31Å; V211-K277 WeakPolarHBondContact CA-O 3.09Å; V211-A278 HydrophobicContact CG2-CB 4.07Å
212	Q	92.1	Very high	86.8	Confident	43 Å²	43	64.5 Å²	64.5	20%	0.201	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.3	175.6	-157.6	167	9.2	0	0	110.5	P200 M202 C276 K277 Y279	P200-Q212 PolarHBondContact O-NE2 2.69Å; M202-Q212 HydrophobicContact CE-CB 3.38Å; M202-Q212 HydrophobicContact CE-CG 3.77Å; Q212-C276 CarbonylContact O-C 3.45Å; Q212-C276 VanDerWaalsContact O-CA 3.24Å; Q212-C276 WeakPolarHBondContact O-CA 3.42Å; Q212-K277 PolarHBondContact N-O 3.41Å; Q212-K277 PolarHBondContact O-N 3.31Å; Q212-Y279 HydrophobicContact CB-CE2 3.62Å
213	C	92.7	Very high	87.9	Confident	7 Å²	7	66 Å²	66	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.1	168.5	-63	0	0	0	0	109.7	V227 Y229 F263 I274 E275 C276	C213-V227 HydrophobicContact CB-CG1 4.37Å; C213-Y229 PolarHBondContact N-OH 3.25Å; C213-Y229 PolarHBondContact O-OH 3.1Å; C213-F263 HydrophobicContact CB-CE1 4.39Å; C213-F263 HydrophobicContact CB-CZ 4.47Å; C213-I274 HydrophobicContact CB-CG2 4.13Å; C213-E275 CarbonylContact C-O 3.36Å; C213-E275 WeakPolarHBondContact CA-O 3.28Å; C213-C276 HydrophobicContact CB-CB 4.13Å; C213-C276 WeakPolarHBondContact CB-SG 3.29Å; C213-C276 WeakPolarHBondContact SG-CB 3.41Å; C213-C276 CovalentContact SG-SG 2.04Å; C213-C276 PolarHBondContact SG-SG 3.25Å
214	T	91.9	Very high	88.7	Confident	49 Å²	49	57 Å²	57	30%	0.301	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	161.6	-179.6	-169.7	0	0	0	0	111	K216 I274 E275	T214-K216 PolarHBondContact O-N 2.99Å; T214-I274 CarbonylContact O-C 3.51Å; T214-I274 WeakPolarHBondContact O-CA 3.18Å; T214-E275 PolarHBondContact N-O 3.39Å; T214-E275 PolarHBondContact O-N 3.26Å
215	G	92.1	Very high	89.2	Confident	2 Å²	2	54 Å²	54	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.1	171.6	0	0	0	0	0	110.7
216	K	89.9	Confident	89.5	Confident	90 Å²	90	55.8 Å²	55.8	39%	0.391	28%	0.284	S	S	.	.	S	Bend	trans	-67.7	-38.8	-176.8	-177.6	167.3	-171.6	132.1	0	112.2	T214 R273 D296	T214-K216 PolarHBondContact O-N 2.99Å; K216-R273 HydrophobicContact CB-CB 3.92Å; K216-R273 PolarHBondContact N-O 2.89Å; K216-D296 IonicContact NZ-OD1 2.91Å; K216-D296 PolarHBondContact NZ-OD1 2.73Å; K216-D296 IonicContact NZ-OD2 3.48Å; K216-D296 PolarHBondContact NZ-OD2 3.45Å
217	R	88.6	Confident	89.7	Confident	138 Å²	138	54.5 Å²	54.5	52%	0.521	27%	0.272	S	S	.	.	S	Bend	trans	-110.2	161.6	173.1	-58.6	175.8	170.3	-174.4	-5.3	109.6	E219 D220 K221	R217-E219 PolarHBondContact O-N 2.67Å; R217-D220 VanDerWaalsContact CB-OD2 3.3Å; R217-D220 WeakPolarHBondContact CB-OD2 3.47Å; R217-D220 PolarHBondContact N-OD2 3.31Å; R217-D220 VanDerWaalsContact N-OD2 3.15Å; R217-D220 WeakPolarHBondContact O-CB 3.21Å; R217-D220 PolarHBondContact O-N 2.91Å; R217-K221 PolarHBondContact O-N 3.25Å; R217-K221 VanDerWaalsContact O-N 3.15Å
218	D	85.5	Confident	89.7	Confident	117 Å²	117	55.8 Å²	55.8	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-60.7	-36.6	177.7	-62.3	-39.6	0	0	0	112	D220 K221	D218-D220 VanDerWaalsContact C-N 3.26Å; D218-D220 PolarHBondContact O-N 2.95Å; D218-K221 WeakPolarHBondContact O-CB 3.11Å; D218-K221 PolarHBondContact O-N 3.34Å; D218-K221 IonicContact OD1-NZ 3.52Å; D218-K221 PolarHBondContact OD1-NZ 2.85Å
219	E	87.8	Confident	89.7	Confident	127 Å²	127	57.7 Å²	57.7	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-29.8	172	-61.9	172.3	-160.9	0	0	113.8	R217 K223	R217-E219 PolarHBondContact O-N 2.67Å; E219-K223 WeakPolarHBondContact O-CD 3.37Å; E219-K223 WeakPolarHBondContact O-CE 3.5Å; E219-K223 WeakPolarHBondContact O-CG 3.18Å
220	D	88.6	Confident	89.8	Confident	9 Å²	9	59.1 Å²	59.1	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-79.2	-29.5	178.1	-64.5	-57.4	0	0	0	111	R217 D218 E222 K223 I224 I272 R273	R217-D220 VanDerWaalsContact CB-OD2 3.3Å; R217-D220 WeakPolarHBondContact CB-OD2 3.47Å; R217-D220 PolarHBondContact N-OD2 3.31Å; R217-D220 VanDerWaalsContact N-OD2 3.15Å; R217-D220 WeakPolarHBondContact O-CB 3.21Å; R217-D220 PolarHBondContact O-N 2.91Å; D218-D220 VanDerWaalsContact C-N 3.26Å; D218-D220 PolarHBondContact O-N 2.95Å; D220-E222 VanDerWaalsContact C-N 3.3Å; D220-E222 PolarHBondContact O-N 3.1Å; D220-K223 PolarHBondContact O-N 3.35Å; D220-K223 VanDerWaalsContact O-N 3.13Å; D220-I224 PolarHBondContact O-N 2.9Å; D220-I272 HydrophobicContact CB-CG2 4.18Å; D220-R273 WeakPolarHBondContact CB-O 3.4Å; D220-R273 PolarHBondContact OD1-N 3.46Å; D220-R273 VanDerWaalsContact OD1-N 3.08Å
221	K	85.4	Confident	89.8	Confident	102 Å²	102	58.4 Å²	58.4	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-31.9	-178.5	-68.7	175.5	-172.3	162.9	0	112.7	R217 D218 K223 I224	R217-K221 PolarHBondContact O-N 3.25Å; R217-K221 VanDerWaalsContact O-N 3.15Å; D218-K221 WeakPolarHBondContact O-CB 3.11Å; D218-K221 PolarHBondContact O-N 3.34Å; D218-K221 IonicContact OD1-NZ 3.52Å; D218-K221 PolarHBondContact OD1-NZ 2.85Å; K221-K223 VanDerWaalsContact C-N 3.31Å; K221-I224 WeakPolarHBondContact O-CG2 3.26Å
222	E	86.4	Confident	89.8	Confident	173 Å²	173	58.5 Å²	58.5	81%	0.808	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.6	175.6	-64.4	-178.5	176.5	0	0	112	D220	D220-E222 VanDerWaalsContact C-N 3.3Å; D220-E222 PolarHBondContact O-N 3.1Å
223	K	87.9	Confident	89.7	Confident	62 Å²	62	58.3 Å²	58.3	27%	0.27	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-22.1	-175.2	-62.1	172.4	-175.5	173.6	0	114.3	E219 D220 K221 G225 T267 T270 I272	E219-K223 WeakPolarHBondContact O-CD 3.37Å; E219-K223 WeakPolarHBondContact O-CE 3.5Å; E219-K223 WeakPolarHBondContact O-CG 3.18Å; D220-K223 PolarHBondContact O-N 3.35Å; D220-K223 VanDerWaalsContact O-N 3.13Å; K221-K223 VanDerWaalsContact C-N 3.31Å; K223-G225 PolarHBondContact O-N 2.92Å; K223-T267 PolarHBondContact O-N 3.33Å; K223-T270 HydrophobicContact CD-CG2 3.86Å; K223-I272 HydrophobicContact CB-CD1 3.77Å; K223-I272 HydrophobicContact CB-CG1 3.86Å; K223-I272 HydrophobicContact CB-CG2 4.43Å; K223-I272 HydrophobicContact CD-CG1 4.33Å; K223-I272 WeakPolarHBondContact O-CD1 3.49Å
224	I	86.1	Confident	89.4	Confident	9 Å²	9	64.2 Å²	64.2	5%	0.046	33%	0.327	C	S	.	.	S	Bend	trans	-72.6	-16.8	-178.4	-161.3	176.8	0	0	0	112.8	D220 K221 V227 F263 L266 I272 I274	D220-I224 PolarHBondContact O-N 2.9Å; K221-I224 WeakPolarHBondContact O-CG2 3.26Å; I224-V227 HydrophobicContact CD1-CG2 4.04Å; I224-V227 HydrophobicContact CG1-CG2 3.97Å; I224-F263 HydrophobicContact CD1-CD1 4.36Å; I224-F263 HydrophobicContact CD1-CE1 4.07Å; I224-F263 HydrophobicContact CG1-CD1 4.04Å; I224-F263 HydrophobicContact CG1-CE1 4.26Å; I224-L266 HydrophobicContact CG1-CD2 4.34Å; I224-I272 HydrophobicContact CB-CG2 4.48Å; I224-I274 HydrophobicContact CD1-CB 4.19Å; I224-I274 HydrophobicContact CD1-CD1 3.79Å; I224-I274 HydrophobicContact CD1-CG1 3.68Å; I224-I274 HydrophobicContact CD1-CG2 3.64Å; I224-I274 HydrophobicContact CG1-CD1 3.87Å; I224-I274 HydrophobicContact CG1-CG1 4.12Å
225	G	82.9	Confident	89.2	Confident	37 Å²	37	62.8 Å²	62.8	38%	0.381	32%	0.319	S	S	.	.			trans	54.6	-140.8	177.7	0	0	0	0	0	113.3	K223 N265	K223-G225 PolarHBondContact O-N 2.92Å; G225-N265 WeakPolarHBondContact CA-O 3.29Å
226	N	86.6	Confident	89.2	Confident	94 Å²	94	64.7 Å²	64.7	50%	0.503	33%	0.331	S	S	.	.			trans	-84.5	135.9	177.7	-167.3	26.2	0	0	0	111.1	T264	N226-T264 PolarHBondContact O-N 3.15Å; N226-T264 PolarHBondContact O-OG1 3.35Å
227	V	91.5	Very high	89.3	Confident	22 Å²	22	60.5 Å²	60.5	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.1	179.5	-176.3	0	0	0	0	108.6	C213 I224 Y229 V261 F263	C213-V227 HydrophobicContact CB-CG1 4.37Å; I224-V227 HydrophobicContact CD1-CG2 4.04Å; I224-V227 HydrophobicContact CG1-CG2 3.97Å; V227-Y229 HydrophobicContact CB-CE2 4.3Å; V227-Y229 HydrophobicContact CG1-CE1 4.38Å; V227-Y229 HydrophobicContact CG1-CE2 3.92Å; V227-V261 HydrophobicContact CG1-CG1 3.32Å; V227-F263 HydrophobicContact CG1-CD1 4.24Å; V227-F263 HydrophobicContact CG1-CE1 4Å; V227-F263 HydrophobicContact CG2-CD1 3.94Å; V227-F263 HydrophobicContact CG2-CE1 4.08Å
228	E	93.4	Very high	89.7	Confident	66 Å²	66	53.9 Å²	53.9	31%	0.308	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.7	179.5	-67.2	-178.4	-174.8	0	0	110.6	F230 V261 Q262 T264	E228-F230 HydrophobicContact CB-CE2 4.12Å; E228-F230 HydrophobicContact CB-CZ 3.94Å; E228-F230 WeakPolarHBondContact OE2-CZ 3.15Å; E228-V261 CarbonylContact O-C 3.58Å; E228-V261 WeakPolarHBondContact O-CA 3.4Å; E228-Q262 PolarHBondContact N-O 3.25Å; E228-Q262 PolarHBondContact O-N 3.12Å; E228-T264 HydrophobicContact CG-CG2 4.14Å
229	Y	93.7	Very high	90.3	Very high	46 Å²	46	48.4 Å²	48.4	18%	0.18	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.7	-178.6	-60.5	-94.2	0	0	0	109.5	C213 V227 P236 L259 V261	C213-Y229 PolarHBondContact N-OH 3.25Å; C213-Y229 PolarHBondContact O-OH 3.1Å; V227-Y229 HydrophobicContact CB-CE2 4.3Å; V227-Y229 HydrophobicContact CG1-CE1 4.38Å; V227-Y229 HydrophobicContact CG1-CE2 3.92Å; Y229-P236 HydrophobicContact CD1-CB 4.03Å; Y229-P236 HydrophobicContact CD2-CB 4.2Å; Y229-P236 HydrophobicContact CG-CB 3.74Å; Y229-L259 HydrophobicContact CD1-CD2 4.41Å; Y229-V261 HydrophobicContact CD1-CG1 4.49Å; Y229-V261 HydrophobicContact CD1-CG2 3.67Å; Y229-V261 HydrophobicContact CE1-CG1 4.33Å; Y229-V261 HydrophobicContact CE1-CG2 3.91Å
230	F	95.2	Very high	90.7	Very high	29 Å²	29	42.8 Å²	42.8	13%	0.127	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.9	177.7	-54.5	-68.1	0	0	0	110.2	W155 L156 N158 E228 A260 Q262	W155-F230 CarbonylContact O-C 3.57Å; L156-F230 VanDerWaalsContact C-CB 3.44Å; L156-F230 WeakPolarHBondContact O-CB 3.11Å; N158-F230 HydrophobicContact CB-CE2 4.12Å; N158-F230 HydrophobicContact CB-CZ 4.21Å; E228-F230 HydrophobicContact CB-CE2 4.12Å; E228-F230 HydrophobicContact CB-CZ 3.94Å; E228-F230 WeakPolarHBondContact OE2-CZ 3.15Å; F230-A260 HydrophobicContact CB-CB 4.22Å; F230-A260 PolarHBondContact N-O 3.15Å; F230-A260 PolarHBondContact O-N 3.16Å; F230-Q262 HydrophobicContact CD2-CB 4.43Å; F230-Q262 HydrophobicContact CE2-CB 3.75Å
231	G	94.1	Very high	91.1	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	23%	0.231	C	C	.	.			trans	-151.3	177.7	178.8	0	0	0	0	0	111.6	W155 G233 N234	W155-G231 CarbonylContact O-C 3.58Å; W155-G231 VanDerWaalsContact O-CA 3.32Å; W155-G231 WeakPolarHBondContact O-CA 2.92Å; W155-G231 PolarHBondContact O-N 2.74Å; G231-G233 PolarHBondContact O-N 3.49Å; G231-N234 WeakPolarHBondContact O-CA 3.44Å; G231-N234 PolarHBondContact O-N 3.37Å
232	L	94.4	Very high	91.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-55.5	128.2	178.3	-168.8	162.9	0	0	0	110.4	D128 V129 P130 W155 N234 S235 P239 Y242	D128-L232 VanDerWaalsContact O-CD2 3.28Å; D128-L232 WeakPolarHBondContact O-CD2 3.42Å; V129-L232 VanDerWaalsContact C-CD2 3.49Å; P130-L232 VanDerWaalsContact CD-CD2 3.45Å; P130-L232 HydrophobicContact CG-CD2 3.77Å; W155-L232 HydrophobicContact CD2-CB 4.26Å; W155-L232 HydrophobicContact CD2-CD1 4.17Å; W155-L232 HydrophobicContact CD2-CG 4Å; W155-L232 HydrophobicContact CE3-CB 4.13Å; W155-L232 HydrophobicContact CE3-CD1 3.73Å; W155-L232 HydrophobicContact CE3-CG 4Å; W155-L232 HydrophobicContact CG-CB 4.48Å; W155-L232 HydrophobicContact CH2-CD1 3.64Å; W155-L232 HydrophobicContact CH2-CG 4.38Å; W155-L232 HydrophobicContact CZ2-CD1 4.1Å; W155-L232 HydrophobicContact CZ2-CG 4.4Å; W155-L232 HydrophobicContact CZ3-CD1 3.42Å; W155-L232 VanDerWaalsContact CZ3-CD1 3.42Å; W155-L232 HydrophobicContact CZ3-CG 4.16Å; L232-N234 VanDerWaalsContact C-N 3.25Å; L232-N234 PolarHBondContact O-N 3.18Å; L232-S235 PolarHBondContact O-N 3.29Å; L232-P239 HydrophobicContact CB-CG 4.12Å; L232-P239 HydrophobicContact CD1-CB 4.39Å; L232-P239 HydrophobicContact CD1-CG 4.02Å; L232-Y242 HydrophobicContact CD1-CE2 3.86Å
233	G	88.2	Confident	92.2	Very high	39 Å²	39	29.9 Å²	29.9	40%	0.402	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	65	27.4	-177.7	0	0	0	0	0	113.7	G231 S235	G231-G233 PolarHBondContact O-N 3.49Å; G233-S235 PolarHBondContact O-N 2.86Å; G233-S235 VanDerWaalsContact O-N 3.1Å; G233-S235 PolarHBondContact O-OG 2.9Å
234	N	87.6	Confident	92.6	Very high	130 Å²	130	27.1 Å²	27.1	70%	0.695	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	50.8	35.2	-177.6	-159.9	32.6	0	0	0	113.2	G231 L232	G231-N234 WeakPolarHBondContact O-CA 3.44Å; G231-N234 PolarHBondContact O-N 3.37Å; L232-N234 VanDerWaalsContact C-N 3.25Å; L232-N234 PolarHBondContact O-N 3.18Å
235	S	87.7	Confident	93.1	Very high	20 Å²	20	27.7 Å²	27.7	14%	0.14	16%	0.163	C	C	.	.			trans	-104.2	133.9	-176	-64.8	0	0	0	0	110.4	L232 G233 G237	L232-S235 PolarHBondContact O-N 3.29Å; G233-S235 PolarHBondContact O-N 2.86Å; G233-S235 VanDerWaalsContact O-N 3.1Å; G233-S235 PolarHBondContact O-OG 2.9Å; S235-G237 PolarHBondContact O-N 3.47Å
236	P	91.3	Very high	93.7	Very high	42 Å²	42	26.1 Å²	26.1	27%	0.273	15%	0.146	S	C	.	.	S	Bend	trans	-79.3	66.2	-177.8	33.4	-36.5	0	0	0	111.3	P210 V211 Y229	P210-P236 WeakPolarHBondContact CA-O 3.24Å; V211-P236 PolarHBondContact N-O 3.41Å; Y229-P236 HydrophobicContact CD1-CB 4.03Å; Y229-P236 HydrophobicContact CD2-CB 4.2Å; Y229-P236 HydrophobicContact CG-CB 3.74Å
237	G	93.4	Very high	94.1	Very high	1 Å²	1	22 Å²	22	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-170.2	-176.9	0	0	0	0	0	115.2	L209 S235	L209-G237 CarbonylContact O-C 3.53Å; L209-G237 WeakPolarHBondContact O-CA 3.29Å; S235-G237 PolarHBondContact O-N 3.47Å
238	F	96.6	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.9	-179.8	-58.4	-70.4	0	0	0	111.9	L77 I178 L180 V208 L209 V211 Y243 P257 L259	L77-F238 HydrophobicContact CD1-CE2 3.68Å; L77-F238 HydrophobicContact CD1-CZ 3.87Å; I178-F238 HydrophobicContact CG2-CZ 4.05Å; L180-F238 HydrophobicContact CB-CD2 4.21Å; L180-F238 HydrophobicContact CB-CE2 3.93Å; L180-F238 HydrophobicContact CB-CZ 4.1Å; L180-F238 HydrophobicContact CD1-CE2 4.41Å; V208-F238 WeakPolarHBondContact CA-O 3.44Å; L209-F238 HydrophobicContact CB-CB 4.3Å; L209-F238 HydrophobicContact CD2-CD2 4.2Å; L209-F238 PolarHBondContact N-O 2.78Å; L209-F238 PolarHBondContact O-N 3.4Å; V211-F238 HydrophobicContact CG2-CD2 3.94Å; V211-F238 HydrophobicContact CG2-CE2 3.56Å; V211-F238 HydrophobicContact CG2-CZ 4.34Å; F238-Y243 HydrophobicContact CB-CE2 4.47Å; F238-P257 HydrophobicContact CB-CG 4.23Å; F238-P257 HydrophobicContact CD1-CB 4.22Å; F238-P257 HydrophobicContact CD1-CG 4.09Å; F238-L259 HydrophobicContact CE1-CB 4.17Å
239	P	96.7	Very high	94.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133	174.5	25.7	-35.5	0	0	0	112.1	P130 L232 Q241 Y242 P257	P130-P239 HydrophobicContact CB-CB 3.98Å; P130-P239 HydrophobicContact CG-CB 4.33Å; L232-P239 HydrophobicContact CB-CG 4.12Å; L232-P239 HydrophobicContact CD1-CB 4.39Å; L232-P239 HydrophobicContact CD1-CG 4.02Å; P239-Q241 VanDerWaalsContact C-N 3.34Å; P239-Q241 HydrophobicContact CB-CG 4.37Å; P239-Q241 PolarHBondContact O-N 3.25Å; P239-Y242 HydrophobicContact CB-CD2 4.08Å; P239-Y242 HydrophobicContact CB-CE2 4.11Å; P239-Y242 HydrophobicContact CG-CD2 3.55Å; P239-Y242 HydrophobicContact CG-CE2 3.49Å; P239-Y242 VanDerWaalsContact CG-CE2 3.49Å; P239-P257 HydrophobicContact CG-CB 3.91Å
240	L	96.3	Very high	94.5	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.047	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68.7	-28.9	-175	-100.3	62.6	0	0	0	113.7	P133 P188 P190 N207 L209 Y242 Y243	P133-L240 WeakPolarHBondContact CA-O 3.25Å; P133-L240 HydrophobicContact CG-CB 4.04Å; P133-L240 HydrophobicContact CG-CD2 4.07Å; P133-L240 HydrophobicContact CG-CG 4.26Å; P188-L240 HydrophobicContact CB-CD1 4.2Å; P190-L240 HydrophobicContact CG-CD1 3.81Å; P190-L240 HydrophobicContact CG-CD2 4Å; N207-L240 WeakPolarHBondContact O-CB 3.32Å; N207-L240 PolarHBondContact O-N 2.98Å; L209-L240 HydrophobicContact CB-CD1 4.31Å; L240-Y242 PolarHBondContact O-N 2.9Å; L240-Y243 WeakPolarHBondContact O-CB 3.49Å; L240-Y243 PolarHBondContact O-N 2.98Å
241	Q	96.9	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-55.3	-17.1	-179.4	73.7	-166.1	32.3	0	0	116.1	C126 G127 V129 S131 E132 K134 P239 Y243	C126-Q241 HydrophobicContact CB-CG 4.21Å; C126-Q241 VanDerWaalsContact O-CD 3.27Å; C126-Q241 PolarHBondContact O-NE2 3.14Å; C126-Q241 PolarHBondContact O-OE1 3.3Å; G127-Q241 PolarHBondContact O-NE2 3.29Å; V129-Q241 PolarHBondContact O-OE1 2.93Å; V129-Q241 VanDerWaalsContact O-OE1 3.1Å; S131-Q241 PolarHBondContact O-N 3.33Å; S131-Q241 VanDerWaalsContact O-N 3.1Å; S131-Q241 VanDerWaalsContact OG-CB 3.3Å; S131-Q241 WeakPolarHBondContact OG-CB 3.38Å; S131-Q241 PolarHBondContact OG-OE1 3.17Å; E132-Q241 VanDerWaalsContact O-CA 3.28Å; E132-Q241 WeakPolarHBondContact O-CA 3.17Å; K134-Q241 WeakPolarHBondContact CB-O 3.05Å; K134-Q241 HydrophobicContact CG-CB 4.38Å; P239-Q241 VanDerWaalsContact C-N 3.34Å; P239-Q241 HydrophobicContact CB-CG 4.37Å; P239-Q241 PolarHBondContact O-N 3.25Å; Q241-Y243 VanDerWaalsContact C-N 3.33Å
242	Y	97.7	Very high	94.6	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.02	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-83.7	-10.4	176.7	-69.3	-99.2	0	0	0	113.4	C149 R150 F151 W155 L232 P239 L240 Y254 P257	C149-Y242 HydrophobicContact CB-CD1 3.54Å; C149-Y242 HydrophobicContact CB-CE1 3.35Å; C149-Y242 HydrophobicContact CB-CG 4.27Å; R150-Y242 PolarHBondContact O-OH 2.98Å; F151-Y242 HydrophobicContact CB-CE1 4.2Å; F151-Y242 HydrophobicContact CD2-CE1 4.2Å; F151-Y242 AromaticContact CD2-CZ 3.99Å; W155-Y242 WeakPolarHBondContact CH2-OH 3.35Å; W155-Y242 WeakPolarHBondContact CZ3-OH 3.41Å; L232-Y242 HydrophobicContact CD1-CE2 3.86Å; P239-Y242 HydrophobicContact CB-CD2 4.08Å; P239-Y242 HydrophobicContact CB-CE2 4.11Å; P239-Y242 HydrophobicContact CG-CD2 3.55Å; P239-Y242 HydrophobicContact CG-CE2 3.49Å; P239-Y242 VanDerWaalsContact CG-CE2 3.49Å; L240-Y242 PolarHBondContact O-N 2.9Å; Y242-Y254 WeakPolarHBondContact O-CE2 3.5Å; Y242-Y254 PolarHBondContact O-OH 2.86Å; Y242-P257 HydrophobicContact CD1-CB 4.44Å; Y242-P257 HydrophobicContact CD2-CB 4Å; Y242-P257 HydrophobicContact CD2-CG 4.34Å; Y242-P257 HydrophobicContact CE2-CB 4.45Å; Y242-P257 HydrophobicContact CG-CB 4.02Å; Y242-P257 HydrophobicContact CG-CG 4.07Å
243	Y	97.3	Very high	94.7	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.031	18%	0.178	C	C	.	.			trans	-105.5	152.5	-178.7	-61.7	-87.3	0	0	0	110.3	P133 K134 L180 F186 P188 F238 L240 Q241 P257	P133-Y243 CarbonylContact C-O 3.6Å; P133-Y243 WeakPolarHBondContact CA-O 3.25Å; P133-Y243 WeakPolarHBondContact CB-O 3.11Å; K134-Y243 PolarHBondContact N-O 2.86Å; K134-Y243 VanDerWaalsContact N-O 3.15Å; L180-Y243 HydrophobicContact CD2-CE1 4.2Å; L180-Y243 VanDerWaalsContact CD2-OH 3.26Å; L180-Y243 WeakPolarHBondContact CD2-OH 3.29Å; F186-Y243 HydrophobicContact CD1-CD1 4.47Å; F186-Y243 HydrophobicContact CD1-CE1 4.5Å; P188-Y243 HydrophobicContact CG-CD1 3.85Å; P188-Y243 HydrophobicContact CG-CD2 3.5Å; P188-Y243 VanDerWaalsContact CG-CD2 3.5Å; P188-Y243 HydrophobicContact CG-CE1 3.94Å; P188-Y243 HydrophobicContact CG-CE2 3.6Å; P188-Y243 HydrophobicContact CG-CG 3.63Å; F238-Y243 HydrophobicContact CB-CE2 4.47Å; L240-Y243 WeakPolarHBondContact O-CB 3.49Å; L240-Y243 PolarHBondContact O-N 2.98Å; Q241-Y243 VanDerWaalsContact C-N 3.33Å; Y243-P257 HydrophobicContact CE2-CG 3.86Å
244	P	96.6	Very high	95.1	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.026	16%	0.161	C	C	.	.	S	Bend	cis	-80.9	160.5	-0.6	31.5	-32.9	0	0	0	114.4	F186 K187 Y246	F186-P244 WeakPolarHBondContact O-CA 2.97Å; K187-P244 HydrophobicContact CG-CB 4.04Å; K187-P244 HydrophobicContact CG-CG 4.36Å; P244-Y246 HydrophobicContact CG-CE2 3.76Å; P244-Y246 WeakPolarHBondContact O-CD2 3.3Å; P244-Y246 WeakPolarHBondContact O-CE2 3.28Å
245	Y	96.8	Very high	95.6	Very high	20 Å²	20	25.7 Å²	25.7	8%	0.078	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-83.2	132	171.4	176.1	-128.1	0	0	0	111.3	R182 L184 G185 K248 Q251 Y254	R182-Y245 HydrophobicContact CB-CD1 3.87Å; R182-Y245 HydrophobicContact CB-CE1 4.06Å; R182-Y245 HydrophobicContact CB-CG 4.46Å; L184-Y245 CarbonylContact C-O 3.57Å; L184-Y245 WeakPolarHBondContact CA-O 3.37Å; G185-Y245 PolarHBondContact N-O 2.72Å; Y245-K248 WeakPolarHBondContact OH-CA 3.47Å; Y245-K248 PolarHBondContact OH-N 2.87Å; Y245-Q251 HydrophobicContact CE2-CB 4.34Å; Y245-Y254 AromaticContact CD2-CD1 3.54Å; Y245-Y254 HydrophobicContact CD2-CD1 3.54Å; Y245-Y254 AromaticContact CD2-CD2 3.96Å; Y245-Y254 HydrophobicContact CD2-CD2 3.96Å; Y245-Y254 AromaticContact CD2-CE1 3.85Å; Y245-Y254 HydrophobicContact CD2-CE1 3.85Å; Y245-Y254 HydrophobicContact CD2-CE2 4.27Å; Y245-Y254 AromaticContact CD2-CG 3.58Å; Y245-Y254 HydrophobicContact CD2-CG 3.58Å; Y245-Y254 AromaticContact CE2-CD1 3.72Å; Y245-Y254 HydrophobicContact CE2-CD1 3.72Å; Y245-Y254 HydrophobicContact CE2-CD2 4.41Å; Y245-Y254 HydrophobicContact CE2-CE1 4.46Å; Y245-Y254 AromaticContact CE2-CG 3.68Å; Y245-Y254 HydrophobicContact CE2-CG 3.68Å; Y245-Y254 HydrophobicContact CG-CD1 4.41Å; Y245-Y254 HydrophobicContact CG-CE1 4.37Å
246	Y	96.1	Very high	96.1	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.016	13%	0.126	C	C	.	.			trans	-96.7	7.8	-175.6	-76.6	-96.7	0	0	0	115	R136 G137 F139 R146 P244 L250	R136-Y246 HydrophobicContact CB-CD2 4.14Å; R136-Y246 HydrophobicContact CB-CE1 4.34Å; R136-Y246 HydrophobicContact CB-CE2 3.57Å; R136-Y246 HydrophobicContact CG-CD2 4.32Å; R136-Y246 HydrophobicContact CG-CE2 3.81Å; R136-Y246 PolarHBondContact N-OH 3.46Å; G137-Y246 PolarHBondContact N-OH 3.38Å; G137-Y246 WeakPolarHBondContact O-CE1 3.39Å; G137-Y246 PolarHBondContact O-OH 2.97Å; F139-Y246 AromaticContact CD1-CD1 3.74Å; F139-Y246 HydrophobicContact CD1-CD1 3.74Å; F139-Y246 HydrophobicContact CD1-CE1 4.23Å; F139-Y246 AromaticContact CE1-CD1 3.68Å; F139-Y246 HydrophobicContact CE1-CD1 3.68Å; F139-Y246 HydrophobicContact CE1-CE1 4.02Å; F139-Y246 HydrophobicContact CE1-CG 4.21Å; F139-Y246 HydrophobicContact CZ-CD1 4.4Å; F139-Y246 HydrophobicContact CZ-CE1 4.3Å; R146-Y246 HydrophobicContact CG-CG 4.45Å; P244-Y246 HydrophobicContact CG-CE2 3.76Å; P244-Y246 WeakPolarHBondContact O-CD2 3.3Å; P244-Y246 WeakPolarHBondContact O-CE2 3.28Å; Y246-L250 HydrophobicContact CD1-CD1 4.21Å
247	G	95.2	Very high	96.4	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	11%	0.113	C	C	.	.	H	α-helix	trans	86.8	166.9	-178.7	0	0	0	0	0	113.1	L249 Q251	G247-L249 VanDerWaalsContact C-N 3.31Å; G247-L249 PolarHBondContact O-N 3.21Å; G247-Q251 PolarHBondContact O-N 3.21Å
248	K	95.7	Very high	96.6	Very high	164 Å²	164	23.2 Å²	23.2	71%	0.713	11%	0.112	S	C	*	.	H	α-helix	trans	-70.6	-29.3	-174.8	-172.4	-179.1	176.4	-172.3	0	112.1	Y245 Q251 P252	Y245-K248 WeakPolarHBondContact OH-CA 3.47Å; Y245-K248 PolarHBondContact OH-N 2.87Å; K248-Q251 CarbonylContact O-C 3.35Å; K248-P252 WeakPolarHBondContact O-CA 3.41Å
249	L	94.2	Very high	96.6	Very high	67 Å²	67	23.2 Å²	23.2	35%	0.351	11%	0.112	S	C	.	.	H	α-helix	trans	-67	-49	178.6	-158.8	159.6	0	0	0	110.6	E63 L64 G247	E63-L249 HydrophobicContact CB-CD1 3.77Å; L64-L249 HydrophobicContact CD2-CD1 4.2Å; L64-L249 HydrophobicContact CD2-CD2 3.91Å; L64-L249 HydrophobicContact CD2-CG 4.44Å; G247-L249 VanDerWaalsContact C-N 3.31Å; G247-L249 PolarHBondContact O-N 3.21Å
250	L	95.6	Very high	96.6	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-84.7	-24.5	-177.3	-62.2	-180	0	0	0	113.7	L64 N140 E145 R146 Y246	L64-L250 HydrophobicContact CD2-CD1 4.2Å; L64-L250 HydrophobicContact CD2-CD2 3.81Å; L64-L250 HydrophobicContact CD2-CG 3.9Å; N140-L250 WeakPolarHBondContact O-CD2 3.5Å; E145-L250 WeakPolarHBondContact CA-O 3.37Å; R146-L250 HydrophobicContact CG-CB 4.17Å; R146-L250 PolarHBondContact N-O 2.82Å; Y246-L250 HydrophobicContact CD1-CD1 4.21Å
251	Q	96.1	Very high	96.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	11%	0.109	C	C	.	.			trans	-135.9	74.9	176.7	-65.2	179.2	-53.7	0	0	110.8	R146 K147 V148 Y245 G247 K248 K253 Y254	R146-Q251 HydrophobicContact CB-CG 3.85Å; K147-Q251 PolarHBondContact O-NE2 2.93Å; V148-Q251 HydrophobicContact CG2-CB 4.29Å; V148-Q251 HydrophobicContact CG2-CG 4.46Å; Y245-Q251 HydrophobicContact CE2-CB 4.34Å; G247-Q251 PolarHBondContact O-N 3.21Å; K248-Q251 CarbonylContact O-C 3.35Å; Q251-K253 VanDerWaalsContact C-N 3.29Å; Q251-K253 PolarHBondContact O-N 3.13Å; Q251-Y254 WeakPolarHBondContact O-CB 3.25Å; Q251-Y254 PolarHBondContact O-N 3.31Å
252	P	95.7	Very high	96.5	Very high	57 Å²	57	23.2 Å²	23.2	37%	0.37	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-35.2	-174.9	23.5	-33.3	0	0	0	112.9	K248	K248-P252 WeakPolarHBondContact O-CA 3.41Å
253	K	96.8	Very high	96.4	Very high	105 Å²	105	23 Å²	23	46%	0.457	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	22	-179.5	-57.7	-172.6	-171.5	168.7	0	113.4	I122 F123 Q251 L255	I122-K253 HydrophobicContact CD1-CD 4Å; I122-K253 VanDerWaalsContact CD1-NZ 3.3Å; I122-K253 HydrophobicContact CG2-CB 4.2Å; I122-K253 HydrophobicContact CG2-CD 4.23Å; F123-K253 HydrophobicContact CE1-CB 4.44Å; F123-K253 HydrophobicContact CE2-CD 4.29Å; F123-K253 HydrophobicContact CZ-CB 3.96Å; F123-K253 HydrophobicContact CZ-CD 4.2Å; Q251-K253 VanDerWaalsContact C-N 3.29Å; Q251-K253 PolarHBondContact O-N 3.13Å; K253-L255 PolarHBondContact O-N 3.21Å
254	Y	97.9	Very high	96.1	Very high	12 Å²	12	24 Å²	24	5%	0.047	12%	0.118	C	C	.	.			trans	-54.7	125.1	-179.3	-179.8	-103.3	0	0	0	112.8	V148 R182 Y242 Y245 Q251 Q256	V148-Y254 HydrophobicContact CG1-CD2 4.41Å; R182-Y254 HydrophobicContact CG-CE1 4.25Å; Y242-Y254 WeakPolarHBondContact O-CE2 3.5Å; Y242-Y254 PolarHBondContact O-OH 2.86Å; Y245-Y254 AromaticContact CD2-CD1 3.54Å; Y245-Y254 HydrophobicContact CD2-CD1 3.54Å; Y245-Y254 AromaticContact CD2-CD2 3.96Å; Y245-Y254 HydrophobicContact CD2-CD2 3.96Å; Y245-Y254 AromaticContact CD2-CE1 3.85Å; Y245-Y254 HydrophobicContact CD2-CE1 3.85Å; Y245-Y254 HydrophobicContact CD2-CE2 4.27Å; Y245-Y254 AromaticContact CD2-CG 3.58Å; Y245-Y254 HydrophobicContact CD2-CG 3.58Å; Y245-Y254 AromaticContact CE2-CD1 3.72Å; Y245-Y254 HydrophobicContact CE2-CD1 3.72Å; Y245-Y254 HydrophobicContact CE2-CD2 4.41Å; Y245-Y254 HydrophobicContact CE2-CE1 4.46Å; Y245-Y254 AromaticContact CE2-CG 3.68Å; Y245-Y254 HydrophobicContact CE2-CG 3.68Å; Y245-Y254 HydrophobicContact CG-CD1 4.41Å; Y245-Y254 HydrophobicContact CG-CE1 4.37Å; Q251-Y254 WeakPolarHBondContact O-CB 3.25Å; Q251-Y254 PolarHBondContact O-N 3.31Å; Y254-Q256 HydrophobicContact CD1-CB 4.34Å; Y254-Q256 HydrophobicContact CE1-CB 3.67Å
255	L	97.7	Very high	95.8	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	15%	0.145	C	C	.	.			trans	-102.3	109.2	173.1	-62.4	179.9	0	0	0	108.9	K111 Y112 Q117 F123 V148 K253	K111-L255 HydrophobicContact CB-CD2 4.44Å; K111-L255 HydrophobicContact CD-CD2 4.37Å; K111-L255 HydrophobicContact CG-CD2 4.04Å; Y112-L255 HydrophobicContact CD1-CB 4.3Å; Y112-L255 HydrophobicContact CD1-CD1 4.24Å; Y112-L255 HydrophobicContact CD1-CD2 4.18Å; Y112-L255 HydrophobicContact CD1-CG 4.47Å; Y112-L255 HydrophobicContact CE1-CB 3.81Å; Y112-L255 HydrophobicContact CE1-CD2 4.06Å; Y112-L255 HydrophobicContact CE1-CG 4.35Å; Y112-L255 HydrophobicContact CG-CD2 4.48Å; Q117-L255 HydrophobicContact CG-CD1 3.65Å; F123-L255 HydrophobicContact CE1-CD1 3.91Å; F123-L255 HydrophobicContact CE1-CG 4.26Å; V148-L255 HydrophobicContact CG1-CB 4.31Å; V148-L255 HydrophobicContact CG1-CG 4.46Å; K253-L255 PolarHBondContact O-N 3.21Å
256	Q	97.1	Very high	95.5	Very high	11 Å²	11	29 Å²	29	5%	0.051	15%	0.146	C	C	.	.			trans	-72.3	148.4	174.6	59.4	-175	83.9	0	0	110.5	Y112 K179 L180 R182 Y254	Y112-Q256 WeakPolarHBondContact CE1-O 3.17Å; Y112-Q256 VanDerWaalsContact OH-CG 3.31Å; Y112-Q256 WeakPolarHBondContact OH-CG 3.11Å; Y112-Q256 PolarHBondContact OH-O 2.92Å; K179-Q256 VanDerWaalsContact CB-NE2 3.34Å; L180-Q256 PolarHBondContact O-NE2 2.82Å; R182-Q256 VanDerWaalsContact CD-OE1 3.25Å; R182-Q256 HydrophobicContact CG-CB 4.36Å; R182-Q256 VanDerWaalsContact CG-OE1 3.25Å; Y254-Q256 HydrophobicContact CD1-CB 4.34Å; Y254-Q256 HydrophobicContact CE1-CB 3.67Å
257	P	97.3	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.			trans	-65.1	145.4	177.7	27.8	-33.4	0	0	0	110.4	F151 F238 P239 Y242 Y243	F151-P257 HydrophobicContact CE2-CB 4.43Å; F238-P257 HydrophobicContact CB-CG 4.23Å; F238-P257 HydrophobicContact CD1-CB 4.22Å; F238-P257 HydrophobicContact CD1-CG 4.09Å; P239-P257 HydrophobicContact CG-CB 3.91Å; Y242-P257 HydrophobicContact CD1-CB 4.44Å; Y242-P257 HydrophobicContact CD2-CB 4Å; Y242-P257 HydrophobicContact CD2-CG 4.34Å; Y242-P257 HydrophobicContact CE2-CB 4.45Å; Y242-P257 HydrophobicContact CG-CB 4.02Å; Y242-P257 HydrophobicContact CG-CG 4.07Å; Y243-P257 HydrophobicContact CE2-CG 3.86Å
258	L	97.8	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.8	178.7	-57	178.9	0	0	0	110	F108 L109 Y112 F151 L156 I177 K179	F108-L258 HydrophobicContact CE1-CD1 3.79Å; F108-L258 HydrophobicContact CE1-CD2 3.69Å; F108-L258 HydrophobicContact CE1-CG 4.4Å; F108-L258 HydrophobicContact CZ-CD2 3.77Å; L109-L258 HydrophobicContact CD2-CD1 3.7Å; Y112-L258 HydrophobicContact CD1-CD1 4.1Å; Y112-L258 HydrophobicContact CD2-CD1 3.97Å; Y112-L258 HydrophobicContact CE1-CD1 3.8Å; Y112-L258 HydrophobicContact CE1-CG 3.97Å; Y112-L258 HydrophobicContact CE2-CD1 3.64Å; Y112-L258 HydrophobicContact CE2-CD2 4.35Å; Y112-L258 HydrophobicContact CE2-CG 4.26Å; Y112-L258 HydrophobicContact CG-CD1 4.18Å; F151-L258 HydrophobicContact CD1-CD1 4.47Å; F151-L258 HydrophobicContact CE1-CB 3.89Å; F151-L258 HydrophobicContact CE1-CD1 4.13Å; F151-L258 HydrophobicContact CE1-CG 4.2Å; F151-L258 HydrophobicContact CE2-CB 4.36Å; F151-L258 HydrophobicContact CZ-CB 3.7Å; F151-L258 HydrophobicContact CZ-CG 4.38Å; F151-L258 WeakPolarHBondContact CZ-O 3.32Å; L156-L258 HydrophobicContact CD1-CD1 4.18Å; L156-L258 HydrophobicContact CD2-CB 3.88Å; I177-L258 HydrophobicContact CG2-CB 4.12Å; I177-L258 HydrophobicContact CG2-CD1 4.25Å; I177-L258 HydrophobicContact CG2-CD2 4.25Å; I177-L258 HydrophobicContact CG2-CG 4.45Å; K179-L258 HydrophobicContact CB-CD2 3.95Å
259	L	97.3	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.4	170.8	173.8	70.1	0	0	0	107.3	I177 I178 V211 Y229 F238 V261	I177-L259 CarbonylContact C-O 3.57Å; I178-L259 HydrophobicContact CB-CB 4.45Å; I178-L259 PolarHBondContact N-O 2.72Å; I178-L259 PolarHBondContact O-N 2.77Å; V211-L259 HydrophobicContact CB-CD2 3.6Å; V211-L259 HydrophobicContact CG1-CD2 4Å; V211-L259 HydrophobicContact CG2-CD2 3.99Å; Y229-L259 HydrophobicContact CD1-CD2 4.41Å; F238-L259 HydrophobicContact CE1-CB 4.17Å; L259-V261 HydrophobicContact CG-CG2 4.44Å
260	A	97.1	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.2	170.7	0	0	0	0	0	110.6	L156 C159 I176 F230	L156-A260 HydrophobicContact CB-CB 4.12Å; L156-A260 HydrophobicContact CD2-CB 3.91Å; C159-A260 HydrophobicContact CB-CB 3.52Å; I176-A260 CarbonylContact O-C 3.43Å; I176-A260 WeakPolarHBondContact O-CA 3.41Å; F230-A260 HydrophobicContact CB-CB 4.22Å; F230-A260 PolarHBondContact N-O 3.15Å; F230-A260 PolarHBondContact O-N 3.16Å
261	V	95.8	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.6	175.3	-178.2	0	0	0	0	107.8	C175 I176 I178 V227 E228 Y229 L259 F263	C175-V261 WeakPolarHBondContact CA-O 3.38Å; I176-V261 PolarHBondContact N-O 3.5Å; I176-V261 PolarHBondContact O-N 3.43Å; I178-V261 HydrophobicContact CD1-CB 4.36Å; I178-V261 HydrophobicContact CD1-CG2 3.43Å; I178-V261 VanDerWaalsContact CD1-CG2 3.43Å; I178-V261 HydrophobicContact CG1-CG2 4.12Å; V227-V261 HydrophobicContact CG1-CG1 3.32Å; E228-V261 CarbonylContact O-C 3.58Å; E228-V261 WeakPolarHBondContact O-CA 3.4Å; Y229-V261 HydrophobicContact CD1-CG1 4.49Å; Y229-V261 HydrophobicContact CD1-CG2 3.67Å; Y229-V261 HydrophobicContact CE1-CG1 4.33Å; Y229-V261 HydrophobicContact CE1-CG2 3.91Å; L259-V261 HydrophobicContact CG-CG2 4.44Å; V261-F263 HydrophobicContact CG1-CE1 4.09Å; V261-F263 HydrophobicContact CG1-CE2 4.03Å; V261-F263 HydrophobicContact CG1-CZ 3.72Å
262	Q	95.6	Very high	94.6	Very high	11 Å²	11	35.4 Å²	35.4	5%	0.051	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.7	176.6	-169.5	173.5	20.1	0	0	109.7	K173 E228 F230 T264	K173-Q262 HydrophobicContact CB-CG 4.48Å; K173-Q262 PolarHBondContact O-NE2 3.32Å; E228-Q262 PolarHBondContact N-O 3.25Å; E228-Q262 PolarHBondContact O-N 3.12Å; F230-Q262 HydrophobicContact CD2-CB 4.43Å; F230-Q262 HydrophobicContact CE2-CB 3.75Å; Q262-T264 HydrophobicContact CG-CG2 4.07Å
263	F	94.8	Very high	94.6	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	103.6	176.5	-58.5	-83.1	0	0	0	108.6	K173 P174 I176 C213 I224 V227 V261 L266 I274 I299	K173-F263 VanDerWaalsContact CA-O 3.26Å; K173-F263 WeakPolarHBondContact CA-O 3.23Å; P174-F263 PolarHBondContact O-N 2.84Å; I176-F263 HydrophobicContact CB-CE2 4.28Å; I176-F263 HydrophobicContact CD1-CE2 3.69Å; I176-F263 HydrophobicContact CD1-CZ 4.47Å; I176-F263 HydrophobicContact CG1-CE2 3.92Å; C213-F263 HydrophobicContact CB-CE1 4.39Å; C213-F263 HydrophobicContact CB-CZ 4.47Å; I224-F263 HydrophobicContact CD1-CD1 4.36Å; I224-F263 HydrophobicContact CD1-CE1 4.07Å; I224-F263 HydrophobicContact CG1-CD1 4.04Å; I224-F263 HydrophobicContact CG1-CE1 4.26Å; V227-F263 HydrophobicContact CG1-CD1 4.24Å; V227-F263 HydrophobicContact CG1-CE1 4Å; V227-F263 HydrophobicContact CG2-CD1 3.94Å; V227-F263 HydrophobicContact CG2-CE1 4.08Å; V261-F263 HydrophobicContact CG1-CE1 4.09Å; V261-F263 HydrophobicContact CG1-CE2 4.03Å; V261-F263 HydrophobicContact CG1-CZ 3.72Å; F263-L266 HydrophobicContact CB-CD1 3.63Å; F263-L266 HydrophobicContact CB-CD2 3.83Å; F263-L266 HydrophobicContact CB-CG 3.63Å; F263-L266 HydrophobicContact CD1-CD2 4.4Å; F263-L266 HydrophobicContact CG-CD1 4.4Å; F263-L266 HydrophobicContact CG-CD2 4.36Å; F263-I274 HydrophobicContact CD1-CD1 3.8Å; F263-I274 HydrophobicContact CE1-CD1 3.54Å; F263-I274 HydrophobicContact CE1-CG2 3.98Å; F263-I274 HydrophobicContact CE2-CD1 4.47Å; F263-I274 HydrophobicContact CG-CD1 4.39Å; F263-I274 HydrophobicContact CZ-CD1 3.9Å; F263-I274 HydrophobicContact CZ-CG2 4.11Å; F263-I299 HydrophobicContact CD2-CD1 3.76Å; F263-I299 HydrophobicContact CE2-CD1 3.81Å; F263-I299 HydrophobicContact CG-CD1 4.33Å; F263-I299 HydrophobicContact CZ-CD1 4.39Å
264	T	91.6	Very high	94.4	Very high	29 Å²	29	31.5 Å²	31.5	18%	0.178	16%	0.161	C	C	.	.			trans	-92.6	-22.6	-167.3	55.2	0	0	0	0	114.1	K173 N226 E228 Q262	K173-T264 HydrophobicContact CD-CG2 4.47Å; K173-T264 WeakPolarHBondContact CE-O 3.27Å; N226-T264 PolarHBondContact O-N 3.15Å; N226-T264 PolarHBondContact O-OG1 3.35Å; E228-T264 HydrophobicContact CG-CG2 4.14Å; Q262-T264 HydrophobicContact CG-CG2 4.07Å
265	N	89	Confident	94.3	Very high	111 Å²	111	32.3 Å²	32.3	59%	0.594	17%	0.166	S	C	*	.	S	Bend	trans	-132.8	58.1	-175.9	-167.4	18.6	0	0	0	111.6	G225	G225-N265 WeakPolarHBondContact CA-O 3.29Å
266	L	91.4	Very high	94.1	Very high	18 Å²	18	32 Å²	32	9%	0.094	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-80.7	136.4	175	-66.6	178	0	0	0	110.9	P174 I224 F263 M268 I272 I299 V301	P174-L266 HydrophobicContact CG-CD1 3.98Å; I224-L266 HydrophobicContact CG1-CD2 4.34Å; F263-L266 HydrophobicContact CB-CD1 3.63Å; F263-L266 HydrophobicContact CB-CD2 3.83Å; F263-L266 HydrophobicContact CB-CG 3.63Å; F263-L266 HydrophobicContact CD1-CD2 4.4Å; F263-L266 HydrophobicContact CG-CD1 4.4Å; F263-L266 HydrophobicContact CG-CD2 4.36Å; L266-M268 PolarHBondContact O-N 2.9Å; L266-I272 HydrophobicContact CB-CD1 4.3Å; L266-I272 HydrophobicContact CD2-CD1 3.94Å; L266-I299 HydrophobicContact CD1-CB 4.49Å; L266-I299 HydrophobicContact CD1-CG2 3.79Å; L266-V301 HydrophobicContact CD1-CG2 4.05Å
267	T	91.2	Very high	94	Very high	65 Å²	65	33.8 Å²	33.8	40%	0.399	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-65.5	121.7	169.4	-52	0	0	0	0	110.5	K223	K223-T267 PolarHBondContact O-N 3.33Å
268	M	91.3	Very high	93.8	Very high	102 Å²	102	33.8 Å²	33.8	50%	0.502	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	159.8	177.3	-66.1	-175.5	177.9	0	0	112.3	L266 T270 V301	L266-M268 PolarHBondContact O-N 2.9Å; M268-T270 PolarHBondContact O-N 3.03Å; M268-T270 VanDerWaalsContact O-N 3.08Å; M268-T270 PolarHBondContact O-OG1 3.24Å; M268-V301 CarbonylContact C-O 3.58Å; M268-V301 WeakPolarHBondContact CA-O 3.33Å; M268-V301 HydrophobicContact CG-CG1 4.45Å
269	D	92.6	Very high	93.5	Very high	99 Å²	99	34.9 Å²	34.9	53%	0.529	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	26.6	176.4	-58.6	-50.7	0	0	0	114.5	V301 K302 S303	D269-V301 PolarHBondContact N-O 3.39Å; D269-K302 WeakPolarHBondContact OD1-CA 3.41Å; D269-S303 PolarHBondContact OD1-N 2.82Å; D269-S303 WeakPolarHBondContact OD2-CB 3.47Å
270	T	92.3	Very high	93.2	Very high	41 Å²	41	35.5 Å²	35.5	25%	0.252	18%	0.182	S	C	.	.	S	Bend	trans	-135.2	134.6	179.8	-54.8	0	0	0	0	110.8	K223 M268 I272	K223-T270 HydrophobicContact CD-CG2 3.86Å; M268-T270 PolarHBondContact O-N 3.03Å; M268-T270 VanDerWaalsContact O-N 3.08Å; M268-T270 PolarHBondContact O-OG1 3.24Å; T270-I272 PolarHBondContact O-N 3.46Å
271	E	92.9	Very high	92.8	Very high	72 Å²	72	40.4 Å²	40.4	34%	0.336	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.1	169.7	-174.7	-167.4	141.6	0	0	109.3	R273 K298	E271-R273 IonicContact OE1-CZ 4Å; E271-R273 IonicContact OE1-NE 4Å; E271-R273 PolarHBondContact OE1-NE 3.2Å; E271-R273 IonicContact OE1-NH2 3.42Å; E271-K298 HydrophobicContact CG-CB 4.43Å; E271-K298 VanDerWaalsContact OE1-CD 3.24Å; E271-K298 WeakPolarHBondContact OE1-CD 3.45Å; E271-K298 WeakPolarHBondContact OE1-CE 3.5Å; E271-K298 IonicContact OE1-NZ 3.95Å; E271-K298 PolarHBondContact OE1-NZ 2.82Å
272	I	94	Very high	92.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.8	178.7	-56.6	165.6	0	0	0	108.9	D220 K223 I224 L266 T270 I274 K298 I299	D220-I272 HydrophobicContact CB-CG2 4.18Å; K223-I272 HydrophobicContact CB-CD1 3.77Å; K223-I272 HydrophobicContact CB-CG1 3.86Å; K223-I272 HydrophobicContact CB-CG2 4.43Å; K223-I272 HydrophobicContact CD-CG1 4.33Å; K223-I272 WeakPolarHBondContact O-CD1 3.49Å; I224-I272 HydrophobicContact CB-CG2 4.48Å; L266-I272 HydrophobicContact CB-CD1 4.3Å; L266-I272 HydrophobicContact CD2-CD1 3.94Å; T270-I272 PolarHBondContact O-N 3.46Å; I272-I274 HydrophobicContact CG2-CG1 4.03Å; I272-K298 WeakPolarHBondContact O-CA 3.46Å; I272-I299 PolarHBondContact N-O 2.81Å; I272-I299 PolarHBondContact O-N 2.98Å
273	R	94.3	Very high	92.5	Very high	79 Å²	79	42.5 Å²	42.5	30%	0.298	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.3	176.6	-53.2	-167.4	173.8	171.1	5.3	110.6	K216 D220 E271 K298	K216-R273 HydrophobicContact CB-CB 3.92Å; K216-R273 PolarHBondContact N-O 2.89Å; D220-R273 WeakPolarHBondContact CB-O 3.4Å; D220-R273 PolarHBondContact OD1-N 3.46Å; D220-R273 VanDerWaalsContact OD1-N 3.08Å; E271-R273 IonicContact OE1-CZ 4Å; E271-R273 IonicContact OE1-NE 4Å; E271-R273 PolarHBondContact OE1-NE 3.2Å; E271-R273 IonicContact OE1-NH2 3.42Å; R273-K298 HydrophobicContact CG-CG 4.22Å
274	I	94.3	Very high	92.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	-175.6	-53.6	178.1	0	0	0	108.3	C213 T214 I224 F263 I272 D296 V297 I299	C213-I274 HydrophobicContact CB-CG2 4.13Å; T214-I274 CarbonylContact O-C 3.51Å; T214-I274 WeakPolarHBondContact O-CA 3.18Å; I224-I274 HydrophobicContact CD1-CB 4.19Å; I224-I274 HydrophobicContact CD1-CD1 3.79Å; I224-I274 HydrophobicContact CD1-CG1 3.68Å; I224-I274 HydrophobicContact CD1-CG2 3.64Å; I224-I274 HydrophobicContact CG1-CD1 3.87Å; I224-I274 HydrophobicContact CG1-CG1 4.12Å; F263-I274 HydrophobicContact CD1-CD1 3.8Å; F263-I274 HydrophobicContact CE1-CD1 3.54Å; F263-I274 HydrophobicContact CE1-CG2 3.98Å; F263-I274 HydrophobicContact CE2-CD1 4.47Å; F263-I274 HydrophobicContact CG-CD1 4.39Å; F263-I274 HydrophobicContact CZ-CD1 3.9Å; F263-I274 HydrophobicContact CZ-CG2 4.11Å; I272-I274 HydrophobicContact CG2-CG1 4.03Å; I274-D296 WeakPolarHBondContact O-CA 3.43Å; I274-V297 HydrophobicContact CB-CG1 3.88Å; I274-V297 HydrophobicContact CG2-CG1 4.38Å; I274-V297 PolarHBondContact N-O 2.76Å; I274-V297 PolarHBondContact O-N 2.86Å; I274-I299 HydrophobicContact CD1-CD1 3.58Å; I274-I299 HydrophobicContact CD1-CG1 4.03Å
275	E	94.4	Very high	92.4	Very high	30 Å²	30	45.7 Å²	45.7	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.5	170.5	-173.2	-178	-115.4	0	0	108.4	C213 T214 R294 F295	C213-E275 CarbonylContact C-O 3.36Å; C213-E275 WeakPolarHBondContact CA-O 3.28Å; T214-E275 PolarHBondContact N-O 3.39Å; T214-E275 PolarHBondContact O-N 3.26Å; E275-R294 WeakPolarHBondContact OE1-CD 3.33Å; E275-R294 IonicContact OE1-CZ 2.82Å; E275-R294 IonicContact OE1-NE 2.64Å; E275-R294 IonicContact OE1-NH1 2.72Å; E275-R294 PolarHBondContact OE1-NH1 2.9Å; E275-F295 WeakPolarHBondContact CA-O 3.5Å
276	C	94.5	Very high	92.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.4	171.4	-63.8	0	0	0	0	109.7	I178 Q212 C213 R294 F295	I178-C276 HydrophobicContact CD1-CB 4.25Å; Q212-C276 CarbonylContact O-C 3.45Å; Q212-C276 VanDerWaalsContact O-CA 3.24Å; Q212-C276 WeakPolarHBondContact O-CA 3.42Å; C213-C276 HydrophobicContact CB-CB 4.13Å; C213-C276 WeakPolarHBondContact CB-SG 3.29Å; C213-C276 WeakPolarHBondContact SG-CB 3.41Å; C213-C276 CovalentContact SG-SG 2.04Å; C213-C276 PolarHBondContact SG-SG 3.25Å; C276-R294 CarbonylContact O-C 3.53Å; C276-R294 WeakPolarHBondContact O-CA 3.22Å; C276-R294 WeakPolarHBondContact O-CB 3.17Å; C276-F295 HydrophobicContact CB-CD1 3.88Å; C276-F295 HydrophobicContact CB-CD2 4.46Å; C276-F295 HydrophobicContact CB-CE1 3.31Å; C276-F295 HydrophobicContact CB-CE2 3.96Å; C276-F295 HydrophobicContact CB-CG 4.43Å; C276-F295 HydrophobicContact CB-CZ 3.36Å; C276-F295 PolarHBondContact N-O 3.29Å; C276-F295 PolarHBondContact O-N 3.01Å; C276-F295 WeakPolarHBondContact SG-CZ 3.4Å
277	K	93.9	Very high	92.4	Very high	48 Å²	48	48.7 Å²	48.7	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132	-171.6	-169.5	168.1	178.8	-179.9	0	110.7	V211 Q212 Y279 Y285 R294	V211-K277 CarbonylContact C-O 3.53Å; V211-K277 VanDerWaalsContact CA-O 3.31Å; V211-K277 WeakPolarHBondContact CA-O 3.09Å; Q212-K277 PolarHBondContact N-O 3.41Å; Q212-K277 PolarHBondContact O-N 3.31Å; K277-Y279 HydrophobicContact CB-CE1 4.35Å; K277-Y279 HydrophobicContact CB-CE2 4.08Å; K277-Y279 HydrophobicContact CD-CD1 4.33Å; K277-Y279 HydrophobicContact CD-CE1 3.55Å; K277-Y279 HydrophobicContact CG-CD1 4.27Å; K277-Y279 HydrophobicContact CG-CE1 3.8Å; K277-Y279 HydrophobicContact CG-CE2 4.3Å; K277-Y279 WeakPolarHBondContact O-CE2 3.11Å; K277-Y285 HydrophobicContact CD-CD1 4.41Å; K277-Y285 HydrophobicContact CD-CE1 3.9Å; K277-Y285 WeakPolarHBondContact CE-OH 3.48Å; K277-Y285 HydrophobicContact CG-CD1 4.22Å; K277-Y285 HydrophobicContact CG-CE1 3.46Å; K277-Y285 VanDerWaalsContact CG-CE1 3.46Å; K277-R294 HydrophobicContact CB-CB 4.27Å; K277-R294 HydrophobicContact CG-CB 4.22Å
278	A	94.1	Very high	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.1	171.8	0	0	0	0	0	109.2	L77 P210 V211 I283 Y285 G293	L77-A278 HydrophobicContact CD1-CB 4.26Å; L77-A278 HydrophobicContact CD2-CB 4.22Å; P210-A278 WeakPolarHBondContact O-CA 3.35Å; V211-A278 HydrophobicContact CG2-CB 4.07Å; A278-I283 HydrophobicContact CB-CG2 4.39Å; A278-I283 VanDerWaalsContact O-CG2 3.31Å; A278-I283 WeakPolarHBondContact O-CG2 3.1Å; A278-Y285 WeakPolarHBondContact O-CE1 3.46Å; A278-Y285 PolarHBondContact O-OH 2.88Å; A278-G293 PolarHBondContact N-O 3.39Å
279	Y	91.4	Very high	92.2	Very high	22 Å²	22	54 Å²	54	9%	0.086	27%	0.265	C	S	.	.			trans	-108.8	132.6	-177.5	-55.5	-86.3	0	0	0	111.2	P191 Y199 L209 P210 Q212 K277	P191-Y279 WeakPolarHBondContact CD-O 2.91Å; Y199-Y279 AromaticContact CD1-CD1 3.54Å; Y199-Y279 HydrophobicContact CD1-CD1 3.54Å; Y199-Y279 HydrophobicContact CD1-CD2 4.2Å; Y199-Y279 AromaticContact CD1-CE1 3.5Å; Y199-Y279 HydrophobicContact CD1-CE1 3.5Å; Y199-Y279 HydrophobicContact CD1-CE2 4.2Å; Y199-Y279 AromaticContact CD1-CG 3.85Å; Y199-Y279 HydrophobicContact CD1-CG 3.85Å; Y199-Y279 AromaticContact CD1-CZ 3.83Å; Y199-Y279 AromaticContact CE1-CD1 2.92Å; Y199-Y279 HydrophobicContact CE1-CD1 2.92Å; Y199-Y279 HydrophobicContact CE1-CD2 4.36Å; Y199-Y279 AromaticContact CE1-CE1 3.09Å; Y199-Y279 HydrophobicContact CE1-CE1 3.09Å; Y199-Y279 AromaticContact CE1-CG 3.59Å; Y199-Y279 HydrophobicContact CE1-CG 3.59Å; Y199-Y279 AromaticContact CE1-CZ 3.91Å; Y199-Y279 HydrophobicContact CE2-CD1 4.45Å; Y199-Y279 AromaticContact CZ-CD1 3.43Å; Y199-Y279 VanDerWaalsContact CZ-CD1 3.43Å; Y199-Y279 AromaticContact CZ-CG 3.95Å; L209-Y279 WeakPolarHBondContact CD1-O 3.26Å; P210-Y279 WeakPolarHBondContact CD-O 3.5Å; P210-Y279 PolarHBondContact O-N 2.03Å; Q212-Y279 HydrophobicContact CB-CE2 3.62Å; K277-Y279 HydrophobicContact CB-CE1 4.35Å; K277-Y279 HydrophobicContact CB-CE2 4.08Å; K277-Y279 HydrophobicContact CD-CD1 4.33Å; K277-Y279 HydrophobicContact CD-CE1 3.55Å; K277-Y279 HydrophobicContact CG-CD1 4.27Å; K277-Y279 HydrophobicContact CG-CE1 3.8Å; K277-Y279 HydrophobicContact CG-CE2 4.3Å; K277-Y279 WeakPolarHBondContact O-CE2 3.11Å
280	G	90.1	Very high	92	Very high	13 Å²	13	55.9 Å²	55.9	13%	0.134	27%	0.265	C	S	.	.			trans	-177.9	161.2	176.6	0	0	0	0	0	111.7	K189 N282 I283	K189-G280 CarbonylContact O-C 3.44Å; K189-G280 WeakPolarHBondContact O-CA 3.35Å; G280-N282 PolarHBondContact O-N 3.05Å; G280-I283 PolarHBondContact O-N 3.19Å
281	E	90.2	Very high	92	Very high	104 Å²	104	57.3 Å²	57.3	49%	0.486	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-32	-179	-63.7	-177.1	-164.7	0	0	112.5	K189 K192	K189-E281 HydrophobicContact CB-CB 4Å; K189-E281 HydrophobicContact CB-CG 4.48Å; K189-E281 PolarHBondContact O-N 3.22Å; K192-E281 WeakPolarHBondContact CE-OE1 3.32Å; K192-E281 WeakPolarHBondContact CG-OE1 3.33Å
282	N	91.3	Very high	92.1	Very high	44 Å²	44	55.8 Å²	55.8	24%	0.235	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	23	-179.3	66.9	-14.6	0	0	0	113.4	F186 K187 K189 G280	F186-N282 HydrophobicContact CE2-CB 4.34Å; F186-N282 VanDerWaalsContact CE2-ND2 3.29Å; F186-N282 WeakPolarHBondContact CE2-ND2 3.31Å; F186-N282 WeakPolarHBondContact CZ-ND2 3.4Å; K187-N282 PolarHBondContact O-ND2 3.5Å; K189-N282 PolarHBondContact N-OD1 3.12Å; G280-N282 PolarHBondContact O-N 3.05Å
283	I	92.6	Very high	92	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.051	26%	0.26	C	S	.	.			trans	-107.9	115.3	169	-52.7	-61.4	0	0	0	107.5	P75 F186 L209 A278 G280 Y285	P75-I283 HydrophobicContact CG-CD1 3.78Å; F186-I283 HydrophobicContact CE1-CD1 4.35Å; F186-I283 HydrophobicContact CZ-CD1 3.88Å; L209-I283 HydrophobicContact CD1-CG1 4.05Å; L209-I283 HydrophobicContact CD2-CD1 3.96Å; L209-I283 HydrophobicContact CD2-CG1 4.16Å; A278-I283 HydrophobicContact CB-CG2 4.39Å; A278-I283 VanDerWaalsContact O-CG2 3.31Å; A278-I283 WeakPolarHBondContact O-CG2 3.1Å; G280-I283 PolarHBondContact O-N 3.19Å; I283-Y285 HydrophobicContact CG2-CE1 4.03Å
284	G	90.9	Very high	92	Very high	25 Å²	25	53.3 Å²	53.3	26%	0.258	25%	0.251	S	S	.	.			trans	-108.7	164.9	175	0	0	0	0	0	111.3	P74 Q292	P74-G284 VanDerWaalsContact CB-N 3.3Å; G284-Q292 CarbonylContact O-C 3.59Å
285	Y	92.9	Very high	92	Very high	73 Å²	73	53.2 Å²	53.2	29%	0.286	25%	0.251	S	S	.	.			trans	-127.4	157.8	-176.7	-43.3	-79.2	0	0	0	109.8	K277 A278 I283 R294	K277-Y285 HydrophobicContact CD-CD1 4.41Å; K277-Y285 HydrophobicContact CD-CE1 3.9Å; K277-Y285 WeakPolarHBondContact CE-OH 3.48Å; K277-Y285 HydrophobicContact CG-CD1 4.22Å; K277-Y285 HydrophobicContact CG-CE1 3.46Å; K277-Y285 VanDerWaalsContact CG-CE1 3.46Å; A278-Y285 WeakPolarHBondContact O-CE1 3.46Å; A278-Y285 PolarHBondContact O-OH 2.88Å; I283-Y285 HydrophobicContact CG2-CE1 4.03Å; Y285-R294 HydrophobicContact CD1-CB 4.41Å; Y285-R294 HydrophobicContact CD1-CG 4.34Å
286	S	92.2	Very high	91.9	Very high	31 Å²	31	52.5 Å²	52.5	22%	0.217	25%	0.248	C	C	.	.			trans	-134.8	144.3	176.9	177.2	0	0	0	0	110.2	K288 D289 R294	S286-K288 VanDerWaalsContact C-N 3.35Å; S286-K288 PolarHBondContact OG-N 3.26Å; S286-K288 VanDerWaalsContact OG-N 3.17Å; S286-D289 VanDerWaalsContact O-O 3.06Å; S286-D289 PolarHBondContact OG-N 3.16Å; S286-D289 VanDerWaalsContact OG-N 3.12Å; S286-R294 PolarHBondContact O-NH2 3.32Å
287	E	88.9	Confident	91.9	Very high	160 Å²	160	52.5 Å²	52.5	75%	0.748	25%	0.248	S	C	*	.	S	Bend	trans	-77.9	-26	170.4	-67.8	-54.4	123.8	0	0	111.4	R294	E287-R294 IonicContact OE1-CZ 3.31Å; E287-R294 IonicContact OE1-NH1 3.81Å; E287-R294 IonicContact OE1-NH2 2.83Å; E287-R294 PolarHBondContact OE1-NH2 3.02Å; E287-R294 IonicContact OE2-NH2 2.7Å
288	K	89.5	Confident	91.9	Very high	205 Å²	205	52.8 Å²	52.8	89%	0.891	25%	0.249	S	C	*	.	S	Bend	trans	-81.2	-42.9	176.5	-67.5	-175.9	178.6	179.9	0	111.5	S286	S286-K288 VanDerWaalsContact C-N 3.35Å; S286-K288 PolarHBondContact OG-N 3.26Å; S286-K288 VanDerWaalsContact OG-N 3.17Å
289	D	89.2	Confident	91.9	Very high	73 Å²	73	52.9 Å²	52.9	39%	0.39	25%	0.25	S	C	.	.			trans	-100.3	102.2	178.7	-170.8	-7.4	0	0	0	110.6	S286 F291 Q292	S286-D289 VanDerWaalsContact O-O 3.06Å; S286-D289 PolarHBondContact OG-N 3.16Å; S286-D289 VanDerWaalsContact OG-N 3.12Å; D289-F291 PolarHBondContact O-N 2.99Å; D289-F291 PolarHBondContact OD1-N 3.3Å; D289-Q292 HydrophobicContact CB-CB 3.97Å; D289-Q292 PolarHBondContact O-N 2.64Å
290	R	88.9	Confident	92.1	Very high	139 Å²	139	53.6 Å²	53.6	53%	0.525	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-5.3	178.5	-64.8	-172.7	-69.5	165.1	-1.5	113.8	R294 F295	R290-R294 VanDerWaalsContact O-O 3.09Å; R290-F295 WeakPolarHBondContact O-CA 3.4Å
291	F	91.7	Very high	92.3	Very high	71 Å²	71	53.1 Å²	53.1	31%	0.311	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-4.6	178.7	-63.3	-81.2	0	0	0	113.4	G76 L77 T86 D289 G293 R294 F295	G76-F291 CarbonylContact C-O 3.45Å; G76-F291 WeakPolarHBondContact CA-O 3.32Å; L77-F291 PolarHBondContact N-O 3.31Å; T86-F291 HydrophobicContact CG2-CE1 3.88Å; T86-F291 HydrophobicContact CG2-CZ 3.6Å; D289-F291 PolarHBondContact O-N 2.99Å; D289-F291 PolarHBondContact OD1-N 3.3Å; F291-G293 PolarHBondContact O-N 3.04Å; F291-R294 CarbonylContact C-O 3.58Å; F291-R294 WeakPolarHBondContact CA-O 3.33Å; F291-R294 VanDerWaalsContact O-O 3.11Å; F291-F295 HydrophobicContact CD1-CB 3.92Å; F291-F295 HydrophobicContact CE1-CB 4.21Å
292	Q	94.1	Very high	92.4	Very high	41 Å²	41	51.3 Å²	51.3	19%	0.192	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-79.1	110.1	-179.8	-170	-178.9	-27.3	0	0	110.2	P74 G284 D289 R294	P74-Q292 HydrophobicContact CG-CG 3.8Å; G284-Q292 CarbonylContact O-C 3.59Å; D289-Q292 HydrophobicContact CB-CB 3.97Å; D289-Q292 PolarHBondContact O-N 2.64Å; Q292-R294 PolarHBondContact O-N 3.39Å
293	G	93	Very high	92.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	67.3	-11.9	-176.9	0	0	0	0	0	116.5	P75 A278 F291	P75-G293 PolarHBondContact O-N 3.27Å; P75-G293 VanDerWaalsContact O-N 3.14Å; A278-G293 PolarHBondContact N-O 3.39Å; F291-G293 PolarHBondContact O-N 3.04Å
294	R	94.4	Very high	92.2	Very high	28 Å²	28	55.7 Å²	55.7	11%	0.106	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	168.9	-179.9	57.8	170.3	170.2	-168.1	-5.9	110.8	E275 C276 K277 Y285 S286 E287 R290 F291 Q292	E275-R294 WeakPolarHBondContact OE1-CD 3.33Å; E275-R294 IonicContact OE1-CZ 2.82Å; E275-R294 IonicContact OE1-NE 2.64Å; E275-R294 IonicContact OE1-NH1 2.72Å; E275-R294 PolarHBondContact OE1-NH1 2.9Å; C276-R294 CarbonylContact O-C 3.53Å; C276-R294 WeakPolarHBondContact O-CA 3.22Å; C276-R294 WeakPolarHBondContact O-CB 3.17Å; K277-R294 HydrophobicContact CB-CB 4.27Å; K277-R294 HydrophobicContact CG-CB 4.22Å; Y285-R294 HydrophobicContact CD1-CB 4.41Å; Y285-R294 HydrophobicContact CD1-CG 4.34Å; S286-R294 PolarHBondContact O-NH2 3.32Å; E287-R294 IonicContact OE1-CZ 3.31Å; E287-R294 IonicContact OE1-NH1 3.81Å; E287-R294 IonicContact OE1-NH2 2.83Å; E287-R294 PolarHBondContact OE1-NH2 3.02Å; E287-R294 IonicContact OE2-NH2 2.7Å; R290-R294 VanDerWaalsContact O-O 3.09Å; F291-R294 CarbonylContact C-O 3.58Å; F291-R294 WeakPolarHBondContact CA-O 3.33Å; F291-R294 VanDerWaalsContact O-O 3.11Å; Q292-R294 PolarHBondContact O-N 3.39Å
295	F	94.1	Very high	92.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151	161.8	69.7	-91.4	0	0	0	110.8	L77 Q79 I176 I178 E275 C276 R290 F291 V297	L77-F295 HydrophobicContact CB-CD1 4.17Å; L77-F295 HydrophobicContact CD2-CD1 3.72Å; L77-F295 HydrophobicContact CD2-CE1 3.88Å; L77-F295 HydrophobicContact CG-CD1 3.76Å; L77-F295 HydrophobicContact CG-CE1 4.09Å; Q79-F295 HydrophobicContact CB-CD2 4.15Å; Q79-F295 HydrophobicContact CB-CE1 4.2Å; Q79-F295 HydrophobicContact CB-CE2 3.74Å; Q79-F295 HydrophobicContact CB-CZ 3.76Å; Q79-F295 HydrophobicContact CG-CD2 4.14Å; Q79-F295 HydrophobicContact CG-CE2 4Å; I176-F295 HydrophobicContact CG2-CZ 4.46Å; I178-F295 HydrophobicContact CB-CE1 4.42Å; I178-F295 HydrophobicContact CD1-CE1 3.86Å; I178-F295 HydrophobicContact CD1-CZ 3.89Å; I178-F295 HydrophobicContact CG1-CE1 3.88Å; I178-F295 HydrophobicContact CG1-CZ 3.9Å; I178-F295 HydrophobicContact CG2-CE1 3.77Å; E275-F295 WeakPolarHBondContact CA-O 3.5Å; C276-F295 HydrophobicContact CB-CD1 3.88Å; C276-F295 HydrophobicContact CB-CD2 4.46Å; C276-F295 HydrophobicContact CB-CE1 3.31Å; C276-F295 HydrophobicContact CB-CE2 3.96Å; C276-F295 HydrophobicContact CB-CG 4.43Å; C276-F295 HydrophobicContact CB-CZ 3.36Å; C276-F295 PolarHBondContact N-O 3.29Å; C276-F295 PolarHBondContact O-N 3.01Å; C276-F295 WeakPolarHBondContact SG-CZ 3.4Å; R290-F295 WeakPolarHBondContact O-CA 3.4Å; F291-F295 HydrophobicContact CD1-CB 3.92Å; F291-F295 HydrophobicContact CE1-CB 4.21Å; F295-V297 HydrophobicContact CD2-CB 4.27Å; F295-V297 HydrophobicContact CD2-CG1 4.5Å; F295-V297 HydrophobicContact CE2-CB 4.09Å; F295-V297 HydrophobicContact CE2-CG1 3.94Å
296	D	93	Very high	92.2	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	170.3	-64.7	-42.4	0	0	0	110	T86 K216 I274	T86-D296 VanDerWaalsContact CB-O 3.27Å; T86-D296 WeakPolarHBondContact CB-O 3.42Å; T86-D296 PolarHBondContact OG1-O 3.48Å; T86-D296 VanDerWaalsContact OG1-O 3.13Å; K216-D296 IonicContact NZ-OD1 2.91Å; K216-D296 PolarHBondContact NZ-OD1 2.73Å; K216-D296 IonicContact NZ-OD2 3.48Å; K216-D296 PolarHBondContact NZ-OD2 3.45Å; I274-D296 WeakPolarHBondContact O-CA 3.43Å
297	V	93.5	Very high	92.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143	169.7	66.7	0	0	0	0	110.1	T86 I88 I176 I274 F295 I299	T86-V297 WeakPolarHBondContact O-CA 3.36Å; I88-V297 HydrophobicContact CD1-CG2 3.86Å; I88-V297 HydrophobicContact CG1-CG2 4.25Å; I176-V297 HydrophobicContact CD1-CG1 3.97Å; I176-V297 HydrophobicContact CD1-CG2 4.1Å; I274-V297 HydrophobicContact CB-CG1 3.88Å; I274-V297 HydrophobicContact CG2-CG1 4.38Å; I274-V297 PolarHBondContact N-O 2.76Å; I274-V297 PolarHBondContact O-N 2.86Å; F295-V297 HydrophobicContact CD2-CB 4.27Å; F295-V297 HydrophobicContact CD2-CG1 4.5Å; F295-V297 HydrophobicContact CE2-CB 4.09Å; F295-V297 HydrophobicContact CE2-CG1 3.94Å; V297-I299 HydrophobicContact CG1-CD1 4.44Å; V297-I299 HydrophobicContact CG1-CG1 4.33Å; V297-I299 HydrophobicContact CG2-CG1 4.21Å
298	K	94.2	Very high	92.4	Very high	54 Å²	54	51.5 Å²	51.5	24%	0.235	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.2	171.6	-61.9	175.1	163.3	-148.9	0	108.3	T86 E87 I88 E271 I272 R273	T86-K298 PolarHBondContact O-N 3.42Å; E87-K298 CarbonylContact C-O 3.45Å; E87-K298 WeakPolarHBondContact CA-O 3.44Å; E87-K298 HydrophobicContact CB-CB 4.36Å; E87-K298 HydrophobicContact CG-CB 4.19Å; I88-K298 PolarHBondContact N-O 3.19Å; E271-K298 HydrophobicContact CG-CB 4.43Å; E271-K298 VanDerWaalsContact OE1-CD 3.24Å; E271-K298 WeakPolarHBondContact OE1-CD 3.45Å; E271-K298 WeakPolarHBondContact OE1-CE 3.5Å; E271-K298 IonicContact OE1-NZ 3.95Å; E271-K298 PolarHBondContact OE1-NZ 2.82Å; I272-K298 WeakPolarHBondContact O-CA 3.46Å; R273-K298 HydrophobicContact CG-CG 4.22Å
299	I	94.3	Very high	92.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.2	177.9	-50.6	-175.9	0	0	0	108.4	I88 P174 I176 F263 L266 I272 I274 V297 V301	I88-I299 HydrophobicContact CB-CG1 4.48Å; I88-I299 CarbonylContact O-C 3.27Å; I88-I299 WeakPolarHBondContact O-CA 3.47Å; P174-I299 HydrophobicContact CG-CG2 4.08Å; I176-I299 HydrophobicContact CD1-CD1 3.73Å; F263-I299 HydrophobicContact CD2-CD1 3.76Å; F263-I299 HydrophobicContact CE2-CD1 3.81Å; F263-I299 HydrophobicContact CG-CD1 4.33Å; F263-I299 HydrophobicContact CZ-CD1 4.39Å; L266-I299 HydrophobicContact CD1-CB 4.49Å; L266-I299 HydrophobicContact CD1-CG2 3.79Å; I272-I299 PolarHBondContact N-O 2.81Å; I272-I299 PolarHBondContact O-N 2.98Å; I274-I299 HydrophobicContact CD1-CD1 3.58Å; I274-I299 HydrophobicContact CD1-CG1 4.03Å; V297-I299 HydrophobicContact CG1-CD1 4.44Å; V297-I299 HydrophobicContact CG1-CG1 4.33Å; V297-I299 HydrophobicContact CG2-CG1 4.21Å; I299-V301 HydrophobicContact CG2-CG2 4.31Å
300	E	94.8	Very high	92.9	Very high	38 Å²	38	39 Å²	39	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	114.6	175.4	-173.2	-167.8	-162.1	0	0	108.5	I88 S89 F90 K302	I88-E300 PolarHBondContact O-N 3.04Å; S89-E300 WeakPolarHBondContact CA-O 3.43Å; S89-E300 PolarHBondContact OG-OE2 2.95Å; F90-E300 PolarHBondContact N-O 3.14Å; E300-K302 HydrophobicContact CG-CG 4.23Å; E300-K302 WeakPolarHBondContact OE1-CE 3.15Å; E300-K302 IonicContact OE1-NZ 3.66Å; E300-K302 WeakPolarHBondContact OE2-CE 3.25Å; E300-K302 IonicContact OE2-NZ 2.76Å; E300-K302 PolarHBondContact OE2-NZ 3.47Å
301	V	94.8	Very high	93.2	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.8	176.6	-174.7	0	0	0	0	107.7	F90 P92 L266 M268 D269 I299	F90-V301 HydrophobicContact CE1-CG2 3.98Å; F90-V301 HydrophobicContact CE2-CG1 4.33Å; F90-V301 HydrophobicContact CZ-CG1 4.26Å; F90-V301 HydrophobicContact CZ-CG2 3.87Å; P92-V301 HydrophobicContact CG-CG1 3.53Å; L266-V301 HydrophobicContact CD1-CG2 4.05Å; M268-V301 CarbonylContact C-O 3.58Å; M268-V301 WeakPolarHBondContact CA-O 3.33Å; M268-V301 HydrophobicContact CG-CG1 4.45Å; D269-V301 PolarHBondContact N-O 3.39Å; I299-V301 HydrophobicContact CG2-CG2 4.31Å
302	K	93	Very high	93.3	Very high	65 Å²	65	28 Å²	28	28%	0.283	14%	0.144	S	C	.	.			trans	-86.5	139.4	-179	-71.9	173.7	169.8	135.5	0	110.7	S89 F90 R91 P92 D269 E300	S89-K302 PolarHBondContact OG-NZ 3.27Å; F90-K302 PolarHBondContact O-N 2.6Å; R91-K302 WeakPolarHBondContact CA-O 2.94Å; R91-K302 HydrophobicContact CG-CB 3.58Å; P92-K302 WeakPolarHBondContact CD-O 3.43Å; D269-K302 WeakPolarHBondContact OD1-CA 3.41Å; E300-K302 HydrophobicContact CG-CG 4.23Å; E300-K302 WeakPolarHBondContact OE1-CE 3.15Å; E300-K302 IonicContact OE1-NZ 3.66Å; E300-K302 WeakPolarHBondContact OE2-CE 3.25Å; E300-K302 IonicContact OE2-NZ 2.76Å; E300-K302 PolarHBondContact OE2-NZ 3.47Å
303	S	86.7	Confident	93.2	Very high	90 Å²	90	26.8 Å²	26.8	63%	0.629	14%	0.14	S	C	*	.			trans	-61.8	0	170.5	-157.3	0	0	0	0	112.2	N93 D269	N93-S303 PolarHBondContact ND2-OXT 2.83Å; D269-S303 PolarHBondContact OD1-N 2.82Å; D269-S303 WeakPolarHBondContact OD2-CB 3.47Å

Retrieved 303 of 303 residues in 642 ms (Link to these results)

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