A0A087XPP8_POEFO Loading...

1-acylglycerol-3-phosphate O-acyltransferase ABHD5

Coenzyme A-dependent lysophosphatidic acid acyltransferase that catalyzes the transfer of an acyl group on a lysophosphatidic acid. Functions preferentially with 1-oleoyl-lysophosphatidic acid followed by 1-palmitoyl-lysophosphatidic acid, 1-stearoyl-lysophosphatidic acid and 1-arachidonoyl-lysophosphatidic acid as lipid acceptor. Functions preferentially with arachidonoyl-CoA followed by oleoyl-CoA as acyl group donors. Functions in phosphatidic acid biosynthesis. May regulate the cellular storage of triacylglycerol through activation of the phospholipase PNPLA2. Involved in keratinocyte differentiation. Regulates lipid droplet fusion.

AlphaFold DB (A0A3B3UQ09), UniProt , Accession A0A087XPP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	28.6	Very low	249 Å²	249	146.8 Å²	146.8	100%	1.227	82%	0.818	S	S	*	*				0	123.1	0	-65.1	-179.7	76.2	0	0	106.3
2	A	30.9	Very low	28.7	Very low	87 Å²	87	149 Å²	149	72%	0.719	82%	0.824	S	S	*	*			cis	-155.1	142.2	-3.5	0	0	0	0	0	104
3	E	27.6	Very low	28.9	Very low	152 Å²	152	148.1 Å²	148.1	71%	0.71	83%	0.825	S	S	*	*				34.8	137.4	102.4	-72	-164.6	131.5	0	0	114.6
4	R	29.2	Very low	28.8	Very low	199 Å²	199	151.9 Å²	151.9	75%	0.751	83%	0.828	S	S	*	*			cis	-176.3	-175	12.7	-115.2	178.4	-165.3	-138.6	4.6	107.5
5	E	27.6	Very low	28.6	Very low	187 Å²	187	159 Å²	159	87%	0.874	84%	0.838	S	S	*	*			trans	96.6	97.7	174.6	-63.6	-174.6	160.6	0	0	113
6	E	26.9	Very low	28.4	Very low	166 Å²	166	155.4 Å²	155.4	78%	0.776	84%	0.838	S	S	*	*			cis	64.2	94.4	42	-139.6	-179.1	-154.8	0	0	113.5
7	T	27.9	Very low	28.4	Very low	133 Å²	133	156.8 Å²	156.8	82%	0.816	84%	0.844	S	S	*	*				168.5	149.8	111.5	37.9	0	0	0	0	113.3
8	A	26.5	Very low	28.4	Very low	95 Å²	95	154.2 Å²	154.2	79%	0.785	84%	0.839	S	S	*	*			trans	75.7	84.8	155.3	0	0	0	0	0	119.3
9	N	27.4	Very low	28.3	Very low	165 Å²	165	152.5 Å²	152.5	88%	0.882	83%	0.834	S	S	*	*				-164.1	75.6	110.8	-134	-9	0	0	0	111.7
10	S	27.8	Very low	28.4	Very low	125 Å²	125	151.3 Å²	151.3	87%	0.874	83%	0.832	S	S	*	*			trans	-97.2	101.8	164	63.4	0	0	0	0	108.6
11	G	31.3	Very low	28.7	Very low	57 Å²	57	147.5 Å²	147.5	59%	0.588	83%	0.827	S	S	*	*			trans	-168.5	87.8	176.6	0	0	0	0	0	109.8
12	I	29.9	Very low	28.6	Very low	173 Å²	173	141.4 Å²	141.4	89%	0.887	80%	0.799	S	S	*	*	S	Bend	trans	146.1	48.6	160.3	-66.9	151.5	0	0	0	108.5
13	V	31.2	Very low	28.9	Very low	137 Å²	137	143.8 Å²	143.8	83%	0.83	81%	0.808	S	S	*	*	S	Bend	trans	-144.7	129.3	155.8	-172.3	0	0	0	0	105.8
14	K	27.6	Very low	29.4	Very low	202 Å²	202	140.3 Å²	140.3	88%	0.878	80%	0.8	S	S	*	*			trans	90.1	88	179.9	-56.4	-177.5	177	177	0	116.8
15	R	25.3	Very low	29.7	Very low	258 Å²	258	135.7 Å²	135.7	97%	0.974	79%	0.789	S	S	*	*				-159	91	127.8	-129.7	-179.7	-176.8	-175	1.1	111
16	A	25.6	Very low	30	Very low	101 Å²	101	130.2 Å²	130.2	84%	0.835	78%	0.777	S	S	*	*			trans	-177.5	76.2	148.5	0	0	0	0	0	108.9
17	L	29	Very low	30.6	Very low	180 Å²	180	126.8 Å²	126.8	94%	0.942	77%	0.771	S	S	*	*			trans	-121	105.3	155.7	-87.8	172.1	0	0	0	106.7
18	S	27.7	Very low	30.9	Very low	109 Å²	109	122.3 Å²	122.3	76%	0.762	75%	0.751	S	S	*	*			trans	-160.8	115	142.9	62.1	0	0	0	0	107.5
19	V	26.7	Very low	31.3	Very low	122 Å²	122	122.3 Å²	122.3	74%	0.739	74%	0.737	S	S	*	*	S	Bend	trans	155.8	126	130.8	167.5	0	0	0	0	108.6
20	T	29.8	Very low	31.5	Very low	128 Å²	128	123.8 Å²	123.8	79%	0.785	73%	0.73	S	S	*	*			trans	73.4	105.5	164.1	55.9	0	0	0	0	118.9
21	G	35.6	Very low	31.7	Very low	72 Å²	72	121.3 Å²	121.3	74%	0.742	71%	0.713	S	S	*	*			trans	-74.4	148.6	153.6	0	0	0	0	0	111.3
22	L	28.8	Very low	31.7	Very low	122 Å²	122	126.6 Å²	126.6	64%	0.639	72%	0.716	S	S	*	*			trans	-171.9	97.4	160.8	-102.6	158.7	0	0	0	108.7	L25	L22-L25 HydrophobicContact CD1-CD1 4.42Å
23	P	36.4	Very low	31.9	Very low	137 Å²	137	121 Å²	121	89%	0.89	69%	0.69	S	S	*	*			trans	-95.1	82.5	162.1	33.2	-23.2	0	0	0	108.9
24	S	39.1	Very low	32.2	Very low	78 Å²	78	120.8 Å²	120.8	55%	0.545	68%	0.684	S	S	.	*	S	Bend	trans	-161.1	-1.7	166.8	69.1	0	0	0	0	116
25	L	35.4	Very low	32.4	Very low	102 Å²	102	117.7 Å²	117.7	53%	0.534	68%	0.677	S	S	.	*	S	Bend	trans	-96.1	-23	-176.6	-81.6	155.6	0	0	0	114.2	L22 I29	L22-L25 HydrophobicContact CD1-CD1 4.42Å; L25-I29 HydrophobicContact CB-CD1 4.26Å; L25-I29 WeakPolarHBondContact O-CB 3.35Å; L25-I29 WeakPolarHBondContact O-CD1 3.45Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.33Å
26	A	34.9	Very low	32.9	Very low	73 Å²	73	108 Å²	108	60%	0.603	65%	0.647	S	S	*	*	H	α-helix	trans	-71.7	-36	-176.6	0	0	0	0	0	113.2	W30	A26-W30 VanDerWaalsContact O-CD1 3.28Å; A26-W30 PolarHBondContact O-N 2.92Å
27	S	38.4	Very low	33.3	Very low	94 Å²	94	109.2 Å²	109.2	66%	0.657	64%	0.638	S	S	*	*	H	α-helix	trans	-73.2	-33.2	176.5	52.5	0	0	0	0	112.7	S31	S27-S31 WeakPolarHBondContact O-CB 3.23Å; S27-S31 PolarHBondContact O-N 3.39Å
28	G	34.8	Very low	33.7	Very low	39 Å²	39	109.5 Å²	109.5	40%	0.402	63%	0.627	S	S	.	*	H	α-helix	trans	-71.9	-39	175.2	0	0	0	0	0	113	S31 Y32	G28-S31 PolarHBondContact O-N 2.99Å; G28-Y32 VanDerWaalsContact O-CB 3.23Å; G28-Y32 WeakPolarHBondContact O-CB 3.47Å; G28-Y32 PolarHBondContact O-N 3.09Å
29	I	34.9	Very low	34.4	Very low	95 Å²	95	114 Å²	114	49%	0.487	63%	0.627	S	S	.	*	H	α-helix	trans	-70.8	-39	179.8	-67.7	165.2	0	0	0	110.9	L25 Y32 V33	L25-I29 HydrophobicContact CB-CD1 4.26Å; L25-I29 WeakPolarHBondContact O-CB 3.35Å; L25-I29 WeakPolarHBondContact O-CD1 3.45Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.33Å; I29-Y32 PolarHBondContact O-N 3.12Å; I29-V33 HydrophobicContact CG2-CG2 3.96Å; I29-V33 WeakPolarHBondContact O-CB 3.41Å; I29-V33 WeakPolarHBondContact O-CG2 3.47Å; I29-V33 PolarHBondContact O-N 2.92Å
30	W	31	Very low	34.6	Very low	196 Å²	196	117.8 Å²	117.8	74%	0.742	63%	0.629	S	S	*	*	H	α-helix	trans	-68.3	-38.3	174.8	-82.5	92.4	0	0	0	112.5	A26 Y32 D34	A26-W30 VanDerWaalsContact O-CD1 3.28Å; A26-W30 PolarHBondContact O-N 2.92Å; W30-Y32 VanDerWaalsContact C-N 3.33Å; W30-Y32 PolarHBondContact O-N 3.5Å; W30-D34 WeakPolarHBondContact O-CB 3.43Å; W30-D34 PolarHBondContact O-N 3.04Å
31	S	32.9	Very low	35.1	Very low	72 Å²	72	123.5 Å²	123.5	50%	0.503	64%	0.637	S	S	.	*	H	α-helix	trans	-66.3	-30.9	172.8	163.9	0	0	0	0	113.7	S27 G28 N35	S27-S31 WeakPolarHBondContact O-CB 3.23Å; S27-S31 PolarHBondContact O-N 3.39Å; G28-S31 PolarHBondContact O-N 2.99Å; S31-N35 PolarHBondContact O-N 3.05Å; S31-N35 PolarHBondContact O-ND2 3.43Å
32	Y	31.7	Very low	35.6	Very low	168 Å²	168	124 Å²	124	66%	0.659	62%	0.622	S	S	*	*	H	α-helix	trans	-83.1	-35.5	178.8	-158.4	-100.2	0	0	0	111.9	G28 I29 W30 N35 T36	G28-Y32 VanDerWaalsContact O-CB 3.23Å; G28-Y32 WeakPolarHBondContact O-CB 3.47Å; G28-Y32 PolarHBondContact O-N 3.09Å; I29-Y32 PolarHBondContact O-N 3.12Å; W30-Y32 VanDerWaalsContact C-N 3.33Å; W30-Y32 PolarHBondContact O-N 3.5Å; Y32-N35 PolarHBondContact O-N 2.95Å; Y32-T36 HydrophobicContact CE1-CG2 4.49Å; Y32-T36 WeakPolarHBondContact O-CB 3.45Å; Y32-T36 PolarHBondContact O-N 2.81Å; Y32-T36 PolarHBondContact O-OG1 2.87Å
33	V	33.3	Very low	36	Very low	57 Å²	57	120.9 Å²	120.9	35%	0.345	61%	0.609	S	S	.	*	H	α-helix	trans	-70	-35.4	175.3	169.9	0	0	0	0	111.2	I29 N35 I37	I29-V33 HydrophobicContact CG2-CG2 3.96Å; I29-V33 WeakPolarHBondContact O-CB 3.41Å; I29-V33 WeakPolarHBondContact O-CG2 3.47Å; I29-V33 PolarHBondContact O-N 2.92Å; V33-N35 VanDerWaalsContact C-N 3.34Å; V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.1Å; V33-I37 WeakPolarHBondContact O-CB 3.06Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.34Å; V33-I37 VanDerWaalsContact O-N 3.12Å
34	D	37.5	Very low	36.3	Very low	131 Å²	131	122 Å²	122	70%	0.701	61%	0.607	S	S	*	*	H	α-helix	trans	-73.4	-25	176.5	-141.1	8	0	0	0	112.9	W30	W30-D34 WeakPolarHBondContact O-CB 3.43Å; W30-D34 PolarHBondContact O-N 3.04Å
35	N	32.5	Very low	36.7	Very low	137 Å²	137	125.2 Å²	125.2	73%	0.733	61%	0.608	S	S	*	*	H	α-helix	trans	-95.1	-16.2	176.8	-83	-37.8	0	0	0	114.8	S31 Y32 V33	S31-N35 PolarHBondContact O-N 3.05Å; S31-N35 PolarHBondContact O-ND2 3.43Å; Y32-N35 PolarHBondContact O-N 2.95Å; V33-N35 VanDerWaalsContact C-N 3.34Å
36	T	34.1	Very low	37	Very low	56 Å²	56	122.9 Å²	122.9	34%	0.344	60%	0.595	S	S	.	*	H	α-helix	trans	-113.5	-19.9	-172.3	-46	0	0	0	0	112.7	Y32 R38	Y32-T36 HydrophobicContact CE1-CG2 4.49Å; Y32-T36 WeakPolarHBondContact O-CB 3.45Å; Y32-T36 PolarHBondContact O-N 2.81Å; Y32-T36 PolarHBondContact O-OG1 2.87Å; T36-R38 PolarHBondContact O-N 3.16Å
37	I	34.7	Very low	37.7	Very low	125 Å²	125	124.3 Å²	124.3	64%	0.641	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	65.7	172.6	-49.9	-169.7	0	0	0	109.9	V33	V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.1Å; V33-I37 WeakPolarHBondContact O-CB 3.06Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.34Å; V33-I37 VanDerWaalsContact O-N 3.12Å
38	R	38	Very low	38.4	Very low	186 Å²	186	124.6 Å²	124.6	70%	0.702	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.9	3.8	165.8	-116	-179.6	-173.1	-163.6	3	117.7	T36	T36-R38 PolarHBondContact O-N 3.16Å
39	W	41.4	Very low	39.5	Very low	203 Å²	203	128.2 Å²	128.2	77%	0.769	60%	0.602	S	S	*	*	S	Bend	trans	-140.6	8.2	-180	-99.7	5.6	0	0	0	118.5	W41 I42	W39-W41 VanDerWaalsContact C-N 3.26Å; W39-W41 PolarHBondContact O-N 3.25Å; W39-I42 PolarHBondContact O-N 2.61Å
40	Y	32.3	Very low	40.8	Very low	202 Å²	202	124.8 Å²	124.8	79%	0.792	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	16.1	-172.6	-92.9	-76.1	0	0	0	118.1
41	W	39.3	Very low	42.5	Very low	248 Å²	248	117.8 Å²	117.8	94%	0.939	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	4.1	172.8	-72.3	83.5	0	0	0	113.9	W39 P43	W39-W41 VanDerWaalsContact C-N 3.26Å; W39-W41 PolarHBondContact O-N 3.25Å; W41-P43 WeakPolarHBondContact O-CD 3.01Å
42	I	45.9	Very low	44.6	Very low	83 Å²	83	116 Å²	116	43%	0.426	55%	0.552	S	S	.	*	S	Bend	trans	-102.3	101.4	170	-64.6	178.7	0	0	0	106.3	W39 L46	W39-I42 PolarHBondContact O-N 2.61Å; I42-L46 HydrophobicContact CB-CD2 4.49Å; I42-L46 HydrophobicContact CG1-CD2 4.39Å; I42-L46 HydrophobicContact CG2-CB 3.35Å; I42-L46 HydrophobicContact CG2-CD2 3.61Å; I42-L46 HydrophobicContact CG2-CG 4.04Å
43	P	38.7	Very low	47.2	Very low	57 Å²	57	109.8 Å²	109.8	37%	0.37	53%	0.533	S	S	.	.			trans	-61.9	147.2	178.4	26	-34.1	0	0	0	110.6	W41 W45 L46	W41-P43 WeakPolarHBondContact O-CD 3.01Å; P43-W45 VanDerWaalsContact CB-NE1 3.28Å; P43-W45 HydrophobicContact CG-CD2 4.38Å; P43-W45 VanDerWaalsContact CG-CE2 3.49Å; P43-W45 HydrophobicContact CG-CZ2 3.73Å; P43-W45 PolarHBondContact O-N 3.26Å; P43-L46 HydrophobicContact CG-CD1 4.25Å; P43-L46 WeakPolarHBondContact O-CB 3.3Å; P43-L46 PolarHBondContact O-N 3.33Å
44	D	41.9	Very low	49.7	Very low	161 Å²	161	111 Å²	111	86%	0.861	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-6.4	-168.8	-63.8	-42.8	0	0	0	116.1	P47	D44-P47 WeakPolarHBondContact O-CD 3.48Å
45	W	46.6	Very low	52.2	Low	145 Å²	145	108.7 Å²	108.7	55%	0.549	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.8	173.5	59.1	-94.2	0	0	0	114.2	P43 S48 W49	P43-W45 VanDerWaalsContact CB-NE1 3.28Å; P43-W45 HydrophobicContact CG-CD2 4.38Å; P43-W45 VanDerWaalsContact CG-CE2 3.49Å; P43-W45 HydrophobicContact CG-CZ2 3.73Å; P43-W45 PolarHBondContact O-N 3.26Å; W45-S48 PolarHBondContact O-N 3.28Å; W45-S48 PolarHBondContact O-OG 3.24Å; W45-W49 HydrophobicContact CE3-CB 4.45Å; W45-W49 HydrophobicContact CE3-CE3 4.28Å; W45-W49 HydrophobicContact CZ3-CD2 4.04Å; W45-W49 HydrophobicContact CZ3-CE3 4.02Å; W45-W49 HydrophobicContact CZ3-CG 4.27Å; W45-W49 PolarHBondContact O-N 2.7Å
46	L	42.6	Very low	55	Low	53 Å²	53	105.8 Å²	105.8	28%	0.277	51%	0.511	S	S	.	.	S	Bend	trans	-67.6	-32	179.9	-128.1	86.4	0	0	0	114.7	I42 P43 S48 W49	I42-L46 HydrophobicContact CB-CD2 4.49Å; I42-L46 HydrophobicContact CG1-CD2 4.39Å; I42-L46 HydrophobicContact CG2-CB 3.35Å; I42-L46 HydrophobicContact CG2-CD2 3.61Å; I42-L46 HydrophobicContact CG2-CG 4.04Å; P43-L46 HydrophobicContact CG-CD1 4.25Å; P43-L46 WeakPolarHBondContact O-CB 3.3Å; P43-L46 PolarHBondContact O-N 3.33Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 2.69Å; L46-W49 VanDerWaalsContact O-CB 3.32Å; L46-W49 WeakPolarHBondContact O-CB 3.38Å; L46-W49 PolarHBondContact O-N 3.47Å; L46-W49 VanDerWaalsContact O-N 3.11Å
47	P	50.1	Low	57.8	Low	102 Å²	102	103.1 Å²	103.1	66%	0.662	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.6	174.3	-22.2	33.7	0	0	0	113.4	D44 W49	D44-P47 WeakPolarHBondContact O-CD 3.48Å; P47-W49 VanDerWaalsContact C-N 3.34Å
48	S	52.7	Low	60.6	Low	101 Å²	101	100.7 Å²	100.7	71%	0.706	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.6	172.9	42.1	0	0	0	0	114.1	W45 L46	W45-S48 PolarHBondContact O-N 3.28Å; W45-S48 PolarHBondContact O-OG 3.24Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 2.69Å
49	W	58.7	Low	63.4	Low	115 Å²	115	93.6 Å²	93.6	44%	0.436	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-33.6	-174.5	-176.2	-101.4	0	0	0	113.1	W45 L46 P47 P51 L239 G241 P242	W45-W49 HydrophobicContact CE3-CB 4.45Å; W45-W49 HydrophobicContact CE3-CE3 4.28Å; W45-W49 HydrophobicContact CZ3-CD2 4.04Å; W45-W49 HydrophobicContact CZ3-CE3 4.02Å; W45-W49 HydrophobicContact CZ3-CG 4.27Å; W45-W49 PolarHBondContact O-N 2.7Å; L46-W49 VanDerWaalsContact O-CB 3.32Å; L46-W49 WeakPolarHBondContact O-CB 3.38Å; L46-W49 PolarHBondContact O-N 3.47Å; L46-W49 VanDerWaalsContact O-N 3.11Å; P47-W49 VanDerWaalsContact C-N 3.34Å; W49-P51 VanDerWaalsContact O-CD 3.25Å; W49-P51 WeakPolarHBondContact O-CD 3.29Å; W49-L239 PolarHBondContact NE1-O 2.7Å; W49-G241 WeakPolarHBondContact O-CA 3.26Å; W49-P242 VanDerWaalsContact O-CD 3.24Å; W49-P242 WeakPolarHBondContact O-CD 3.46Å
50	C	61.6	Low	65.9	Low	22 Å²	22	83.9 Å²	83.9	15%	0.149	43%	0.426	C	S	.	.	S	Bend	trans	-88.4	111.7	171.8	-68.1	0	0	0	0	109.1	T52 R238	C50-T52 HydrophobicContact CB-CG2 4.36Å; C50-T52 PolarHBondContact O-N 3.41Å; C50-R238 PolarHBondContact SG-O 3.29Å
51	P	66.6	Low	69	Low	49 Å²	49	74.3 Å²	74.3	32%	0.318	39%	0.388	S	S	.	.			trans	-72.4	77.7	171.9	29.9	-36.1	0	0	0	109	W49 Q56 P242 Y273 H274	W49-P51 VanDerWaalsContact O-CD 3.25Å; W49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-Q56 VanDerWaalsContact C-OE1 3.31Å; P51-Q56 PolarHBondContact O-OE1 3.46Å; P51-P242 HydrophobicContact CG-CB 3.96Å; P51-P242 HydrophobicContact CG-CG 4.24Å; P51-Y273 VanDerWaalsContact CD-OH 3.23Å; P51-Y273 WeakPolarHBondContact CD-OH 3.43Å; P51-Y273 HydrophobicContact CG-CE1 4.5Å; P51-H274 PolarHBondContact O-CE1 2.84Å
52	T	77.6	Confident	71.7	Confident	34 Å²	34	66.4 Å²	66.4	21%	0.209	37%	0.365	C	S	.	.			trans	-138.6	148.3	171.4	-158.6	0	0	0	0	109.6	C50 H274 V277 Q278	C50-T52 HydrophobicContact CB-CG2 4.36Å; C50-T52 PolarHBondContact O-N 3.41Å; T52-H274 PolarHBondContact OG1-ND1 3.46Å; T52-V277 VanDerWaalsContact CB-CG2 3.49Å; T52-V277 HydrophobicContact CG2-CB 4.47Å; T52-V277 HydrophobicContact CG2-CG2 3.63Å; T52-Q278 PolarHBondContact OG1-NE2 3.12Å; T52-Q278 VanDerWaalsContact OG1-NE2 3.14Å
53	S	84.6	Confident	74.2	Confident	39 Å²	39	66.4 Å²	66.4	27%	0.273	36%	0.359	S	S	.	.			trans	-149.8	167.1	171.2	69.3	0	0	0	0	108	S55 Q56 L57	S53-S55 PolarHBondContact O-N 3.17Å; S53-S55 PolarHBondContact OG-N 2.92Å; S53-S55 PolarHBondContact OG-OG 3.01Å; S53-Q56 VanDerWaalsContact N-OE1 3.09Å; S53-Q56 PolarHBondContact O-N 3.33Å; S53-Q56 WeakPolarHBondContact OG-CG 3.28Å; S53-Q56 PolarHBondContact OG-N 3.23Å; S53-L57 PolarHBondContact O-N 2.59Å
54	Q	85.9	Confident	76.9	Confident	83 Å²	83	63.7 Å²	63.7	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-56.9	-41.4	171.7	-171.9	64.6	22.6	0	0	111	Q56 L57 M58	Q54-Q56 PolarHBondContact O-N 3.16Å; Q54-L57 PolarHBondContact O-N 3.03Å; Q54-M58 HydrophobicContact CG-SD 4.12Å; Q54-M58 WeakPolarHBondContact O-CB 3.46Å; Q54-M58 VanDerWaalsContact O-CG 3.26Å; Q54-M58 WeakPolarHBondContact O-CG 3.3Å; Q54-M58 PolarHBondContact O-N 3.14Å
55	S	89.6	Confident	79.5	Confident	81 Å²	81	56.4 Å²	56.4	57%	0.566	30%	0.303	S	S	*	.	H	α-helix	trans	-65.2	-35.7	178.5	55.7	0	0	0	0	113.2	S53 A59	S53-S55 PolarHBondContact O-N 3.17Å; S53-S55 PolarHBondContact OG-N 2.92Å; S53-S55 PolarHBondContact OG-OG 3.01Å; S55-A59 WeakPolarHBondContact O-CB 3.36Å; S55-A59 PolarHBondContact O-N 3.37Å
56	Q	91.5	Very high	81.8	Confident	76 Å²	76	53.5 Å²	53.5	36%	0.355	30%	0.304	S	S	.	.	H	α-helix	trans	-70.8	-39.4	176	-73.4	175.8	-42.8	0	0	112	P51 S53 Q54 A59 A60	P51-Q56 VanDerWaalsContact C-OE1 3.31Å; P51-Q56 PolarHBondContact O-OE1 3.46Å; S53-Q56 VanDerWaalsContact N-OE1 3.09Å; S53-Q56 PolarHBondContact O-N 3.33Å; S53-Q56 WeakPolarHBondContact OG-CG 3.28Å; S53-Q56 PolarHBondContact OG-N 3.23Å; Q54-Q56 PolarHBondContact O-N 3.16Å; Q56-A59 PolarHBondContact O-N 2.94Å; Q56-A60 WeakPolarHBondContact O-CB 3.42Å; Q56-A60 PolarHBondContact O-N 2.88Å
57	L	93.3	Very high	84.2	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-47.6	172.7	176.3	56.2	0	0	0	111.2	S53 Q54 A59 A60 E61 Q137 Y271 H274 L275 Q278	S53-L57 PolarHBondContact O-N 2.59Å; Q54-L57 PolarHBondContact O-N 3.03Å; L57-A59 PolarHBondContact O-N 3.05Å; L57-A60 PolarHBondContact O-N 2.89Å; L57-E61 PolarHBondContact O-N 2.98Å; L57-Q137 HydrophobicContact CD2-CG 3.86Å; L57-Q137 HydrophobicContact CG-CG 4Å; L57-Y271 HydrophobicContact CD1-CD2 4.29Å; L57-Y271 HydrophobicContact CD1-CE2 4.13Å; L57-H274 HydrophobicContact CB-CB 4.2Å; L57-H274 HydrophobicContact CD1-CB 4.02Å; L57-L275 HydrophobicContact CD1-CB 4.28Å; L57-Q278 HydrophobicContact CD2-CG 4.34Å
58	M	94.3	Very high	86.3	Confident	73 Å²	73	49.4 Å²	49.4	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-55.8	-49.6	175.2	-74.1	174.1	81.5	0	0	111.5	Q54 A60 E61 D62	Q54-M58 HydrophobicContact CG-SD 4.12Å; Q54-M58 WeakPolarHBondContact O-CB 3.46Å; Q54-M58 VanDerWaalsContact O-CG 3.26Å; Q54-M58 WeakPolarHBondContact O-CG 3.3Å; Q54-M58 PolarHBondContact O-N 3.14Å; M58-A60 VanDerWaalsContact C-N 3.33Å; M58-A60 PolarHBondContact O-N 2.75Å; M58-E61 PolarHBondContact O-N 3.24Å; M58-D62 PolarHBondContact O-N 3.46Å
59	A	95.4	Very high	88.3	Confident	37 Å²	37	55.5 Å²	55.5	31%	0.306	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-36.8	179.7	0	0	0	0	0	112.6	S55 Q56 L57 R63	S55-A59 WeakPolarHBondContact O-CB 3.36Å; S55-A59 PolarHBondContact O-N 3.37Å; Q56-A59 PolarHBondContact O-N 2.94Å; L57-A59 PolarHBondContact O-N 3.05Å; A59-R63 VanDerWaalsContact C-NH1 3.33Å; A59-R63 WeakPolarHBondContact O-CG 3.15Å; A59-R63 PolarHBondContact O-N 3.24Å; A59-R63 VanDerWaalsContact O-N 3.13Å; A59-R63 PolarHBondContact O-NH1 2.81Å
60	A	95.1	Very high	90	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.1	-38.4	175.9	0	0	0	0	0	111.8	Q56 L57 M58 R63 M64 Y271	Q56-A60 WeakPolarHBondContact O-CB 3.42Å; Q56-A60 PolarHBondContact O-N 2.88Å; L57-A60 PolarHBondContact O-N 2.89Å; M58-A60 VanDerWaalsContact C-N 3.33Å; M58-A60 PolarHBondContact O-N 2.75Å; A60-R63 PolarHBondContact O-N 3.31Å; A60-M64 PolarHBondContact O-N 3.06Å; A60-Y271 HydrophobicContact CB-CD2 4.34Å
61	E	97.1	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-43.6	172.8	-169	-172	93.5	0	0	111.8	L57 M58 R63 M64 L65 K74 W86 V111 Q137 Y271	L57-E61 PolarHBondContact O-N 2.98Å; M58-E61 PolarHBondContact O-N 3.24Å; E61-R63 PolarHBondContact O-N 3.35Å; E61-M64 CarbonylContact O-C 3.58Å; E61-M64 WeakPolarHBondContact O-CA 3.2Å; E61-M64 WeakPolarHBondContact O-CB 3.42Å; E61-M64 PolarHBondContact O-N 3.05Å; E61-L65 HydrophobicContact CG-CD1 3.79Å; E61-L65 HydrophobicContact CG-CG 4.2Å; E61-L65 WeakPolarHBondContact O-CG 3.18Å; E61-L65 PolarHBondContact O-N 3.13Å; E61-K74 IonicContact OE1-NZ 3.51Å; E61-W86 VanDerWaalsContact CD-NE1 3.34Å; E61-W86 WeakPolarHBondContact OE1-CZ2 3.33Å; E61-W86 PolarHBondContact OE1-NE1 2.85Å; E61-W86 PolarHBondContact OE2-NE1 2.74Å; E61-W86 VanDerWaalsContact OE2-NE1 3.08Å; E61-V111 HydrophobicContact CG-CG2 4.46Å; E61-V111 WeakPolarHBondContact OE2-CG2 3.39Å; E61-Q137 PolarHBondContact OE1-NE2 3.23Å; E61-Q137 PolarHBondContact OE2-NE2 3.15Å; E61-Y271 HydrophobicContact CB-CD2 4.16Å; E61-Y271 HydrophobicContact CB-CE2 3.77Å; E61-Y271 HydrophobicContact CG-CE2 3.95Å
62	D	96.9	Very high	93.1	Very high	83 Å²	83	55.3 Å²	55.3	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-56	-40.7	175.1	-73.9	-25.4	0	0	0	111.3	M58 L65 S66 K74	M58-D62 PolarHBondContact O-N 3.46Å; D62-L65 PolarHBondContact O-N 2.75Å; D62-S66 PolarHBondContact O-N 2.82Å; D62-K74 IonicContact OD1-NZ 2.57Å; D62-K74 PolarHBondContact OD1-NZ 3.38Å
63	R	96.8	Very high	94	Very high	83 Å²	83	57.6 Å²	57.6	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-45.4	172.7	-70.6	-168.2	-63.7	-76.4	10.4	112.1	A59 A60 E61 L65 S66 F263 T267 E270	A59-R63 VanDerWaalsContact C-NH1 3.33Å; A59-R63 WeakPolarHBondContact O-CG 3.15Å; A59-R63 PolarHBondContact O-N 3.24Å; A59-R63 VanDerWaalsContact O-N 3.13Å; A59-R63 PolarHBondContact O-NH1 2.81Å; A60-R63 PolarHBondContact O-N 3.31Å; E61-R63 PolarHBondContact O-N 3.35Å; R63-L65 PolarHBondContact O-N 3.17Å; R63-S66 WeakPolarHBondContact O-CB 3.36Å; R63-S66 PolarHBondContact O-N 2.9Å; R63-S66 PolarHBondContact O-OG 3.47Å; R63-F263 WeakPolarHBondContact O-CE1 3.46Å; R63-T267 HydrophobicContact CB-CG2 3.61Å; R63-E270 IonicContact CZ-OE2 3.51Å; R63-E270 IonicContact NE-OE2 3.6Å; R63-E270 IonicContact NH2-OE2 2.68Å; R63-E270 PolarHBondContact NH2-OE2 2.75Å
64	M	95.9	Very high	94.7	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-32.2	175.4	-79	-63.8	-58.3	0	0	113.6	A60 E61 G112 A115 F259 F263 T267 V268 Y271	A60-M64 PolarHBondContact O-N 3.06Å; E61-M64 CarbonylContact O-C 3.58Å; E61-M64 WeakPolarHBondContact O-CA 3.2Å; E61-M64 WeakPolarHBondContact O-CB 3.42Å; E61-M64 PolarHBondContact O-N 3.05Å; M64-G112 WeakPolarHBondContact CE-O 3.39Å; M64-A115 HydrophobicContact CE-CB 4.39Å; M64-A115 WeakPolarHBondContact O-CB 3.4Å; M64-F259 HydrophobicContact CE-CD1 4.17Å; M64-F259 HydrophobicContact CE-CE1 4.04Å; M64-F263 HydrophobicContact CE-CE2 4.06Å; M64-F263 VanDerWaalsContact O-CZ 3.31Å; M64-F263 WeakPolarHBondContact O-CZ 3.41Å; M64-F263 HydrophobicContact SD-CD2 4.32Å; M64-F263 HydrophobicContact SD-CE2 3.86Å; M64-F263 HydrophobicContact SD-CZ 4.41Å; M64-T267 HydrophobicContact CG-CG2 4.04Å; M64-T267 HydrophobicContact SD-CG2 3.78Å; M64-V268 HydrophobicContact CE-CG2 4.45Å; M64-V268 HydrophobicContact SD-CB 4.23Å; M64-V268 HydrophobicContact SD-CG2 3.84Å; M64-Y271 VanDerWaalsContact CG-CB 3.5Å; M64-Y271 HydrophobicContact CG-CD1 3.7Å; M64-Y271 HydrophobicContact CG-CD2 4.13Å; M64-Y271 HydrophobicContact CG-CE1 4.44Å; M64-Y271 HydrophobicContact CG-CG 3.5Å; M64-Y271 HydrophobicContact SD-CD1 4.38Å
65	L	96.6	Very high	95.2	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-92.2	-5.7	-178.4	-60.2	174.7	0	0	0	112.9	E61 D62 R63 C67 I68 F72 L88	E61-L65 HydrophobicContact CG-CD1 3.79Å; E61-L65 HydrophobicContact CG-CG 4.2Å; E61-L65 WeakPolarHBondContact O-CG 3.18Å; E61-L65 PolarHBondContact O-N 3.13Å; D62-L65 PolarHBondContact O-N 2.75Å; R63-L65 PolarHBondContact O-N 3.17Å; L65-C67 PolarHBondContact O-N 2.91Å; L65-C67 VanDerWaalsContact O-N 3.15Å; L65-I68 HydrophobicContact CB-CD1 4.03Å; L65-I68 HydrophobicContact CD2-CD1 3.41Å; L65-I68 VanDerWaalsContact CD2-CD1 3.41Å; L65-I68 HydrophobicContact CG-CD1 4.3Å; L65-I68 WeakPolarHBondContact O-CB 3.05Å; L65-I68 PolarHBondContact O-N 2.99Å; L65-I68 VanDerWaalsContact O-N 3.07Å; L65-F72 HydrophobicContact CB-CZ 4.15Å; L65-F72 HydrophobicContact CD1-CE2 4.19Å; L65-F72 HydrophobicContact CD1-CZ 4.33Å; L65-L88 HydrophobicContact CD1-CD1 3.74Å; L65-L88 HydrophobicContact CD1-CD2 4.03Å; L65-L88 HydrophobicContact CD2-CD1 3.77Å; L65-L88 HydrophobicContact CG-CD1 4.44Å
66	S	95.6	Very high	95.6	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.8	-174	66.1	0	0	0	0	115.1	D62 R63	D62-S66 PolarHBondContact O-N 2.82Å; R63-S66 WeakPolarHBondContact O-CB 3.36Å; R63-S66 PolarHBondContact O-N 2.9Å; R63-S66 PolarHBondContact O-OG 3.47Å
67	C	92.2	Very high	96	Very high	52 Å²	52	55 Å²	55	35%	0.351	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.4	178.2	-61.5	0	0	0	0	113.6	L65 M262 F263	L65-C67 PolarHBondContact O-N 2.91Å; L65-C67 VanDerWaalsContact O-N 3.15Å; C67-M262 HydrophobicContact CB-CE 3.41Å; C67-M262 VanDerWaalsContact CB-CE 3.41Å; C67-F263 WeakPolarHBondContact SG-CE1 3.18Å
68	I	95.3	Very high	96.2	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.092	31%	0.311	C	S	.	.			trans	-76.9	131.1	178.1	-63	168.9	0	0	0	108.5	L65 F72 F90 V118	L65-I68 HydrophobicContact CB-CD1 4.03Å; L65-I68 HydrophobicContact CD2-CD1 3.41Å; L65-I68 VanDerWaalsContact CD2-CD1 3.41Å; L65-I68 HydrophobicContact CG-CD1 4.3Å; L65-I68 WeakPolarHBondContact O-CB 3.05Å; L65-I68 PolarHBondContact O-N 2.99Å; L65-I68 VanDerWaalsContact O-N 3.07Å; I68-F72 HydrophobicContact CB-CE1 4.26Å; I68-F72 HydrophobicContact CG2-CD1 4.02Å; I68-F72 HydrophobicContact CG2-CE1 3.94Å; I68-F90 HydrophobicContact CD1-CZ 4.27Å; I68-F90 HydrophobicContact CG2-CE1 3.73Å; I68-F90 HydrophobicContact CG2-CZ 4.37Å; I68-V118 HydrophobicContact CD1-CG2 3.5Å; I68-V118 HydrophobicContact CG1-CG2 3.97Å; I68-V118 HydrophobicContact CG2-CG2 4.49Å
69	R	94.3	Very high	96.3	Very high	228 Å²	228	55.5 Å²	55.5	86%	0.86	30%	0.299	S	S	*	.			trans	-101.9	-33.9	-176.2	-61.6	179.3	-179.1	174.3	0.1	112.2	E119	R69-E119 WeakPolarHBondContact CA-OE2 3.47Å; R69-E119 PolarHBondContact N-OE2 3.28Å
70	S	94.1	Very high	96	Very high	29 Å²	29	56.5 Å²	56.5	20%	0.203	30%	0.304	C	S	.	.	S	Bend	trans	-58	142.2	175.5	-74.6	0	0	0	0	110.5	F72 E119 S122	S70-F72 WeakPolarHBondContact O-CD1 3.36Å; S70-E119 PolarHBondContact N-OE1 3.2Å; S70-E119 PolarHBondContact N-OE2 2.77Å; S70-E119 VanDerWaalsContact OG-CD 3.26Å; S70-E119 PolarHBondContact OG-OE1 2.79Å; S70-E119 PolarHBondContact OG-OE2 3.05Å; S70-S122 PolarHBondContact OG-OG 2.9Å
71	A	95.5	Very high	95.8	Very high	93 Å²	93	62.3 Å²	62.3	77%	0.769	34%	0.343	S	S	*	.			trans	-70.8	139	174.8	0	0	0	0	0	110.2
72	F	97.3	Very high	95.6	Very high	61 Å²	61	65.6 Å²	65.6	27%	0.268	38%	0.377	S	S	.	.			trans	-150.4	160.5	178	65.3	-85	0	0	0	111.1	L65 I68 S70 K74 L88 A89 F90	L65-F72 HydrophobicContact CB-CZ 4.15Å; L65-F72 HydrophobicContact CD1-CE2 4.19Å; L65-F72 HydrophobicContact CD1-CZ 4.33Å; I68-F72 HydrophobicContact CB-CE1 4.26Å; I68-F72 HydrophobicContact CG2-CD1 4.02Å; I68-F72 HydrophobicContact CG2-CE1 3.94Å; S70-F72 WeakPolarHBondContact O-CD1 3.36Å; F72-K74 HydrophobicContact CD2-CG 4.19Å; F72-K74 HydrophobicContact CE2-CD 4.31Å; F72-K74 HydrophobicContact CE2-CG 3.87Å; F72-L88 HydrophobicContact CD2-CD2 4.34Å; F72-L88 HydrophobicContact CE2-CD2 4.24Å; F72-A89 CarbonylContact C-O 3.52Å; F72-A89 VanDerWaalsContact CA-O 3.23Å; F72-A89 WeakPolarHBondContact CA-O 3.45Å; F72-A89 WeakPolarHBondContact CB-O 3.41Å; F72-F90 HydrophobicContact CB-CD1 3.48Å; F72-F90 VanDerWaalsContact CB-CD1 3.48Å; F72-F90 HydrophobicContact CB-CD2 4.2Å; F72-F90 HydrophobicContact CB-CE1 3.4Å; F72-F90 VanDerWaalsContact CB-CE1 3.4Å; F72-F90 HydrophobicContact CB-CE2 4.15Å; F72-F90 HydrophobicContact CB-CG 3.86Å; F72-F90 HydrophobicContact CB-CZ 3.74Å; F72-F90 HydrophobicContact CD1-CD1 4.38Å; F72-F90 AromaticContact CD1-CE1 3.59Å; F72-F90 HydrophobicContact CD1-CE1 3.59Å; F72-F90 AromaticContact CD1-CZ 3.99Å; F72-F90 HydrophobicContact CD1-CZ 3.99Å; F72-F90 HydrophobicContact CD2-CE1 4.48Å; F72-F90 HydrophobicContact CD2-CZ 4.17Å; F72-F90 HydrophobicContact CE1-CE1 4.49Å; F72-F90 HydrophobicContact CG-CD1 4.2Å; F72-F90 AromaticContact CG-CE1 3.59Å; F72-F90 HydrophobicContact CG-CE1 3.59Å; F72-F90 HydrophobicContact CG-CE2 4.44Å; F72-F90 AromaticContact CG-CZ 3.72Å; F72-F90 HydrophobicContact CG-CZ 3.72Å
73	T	97.8	Very high	95.6	Very high	82 Å²	82	62.8 Å²	62.8	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	155.6	172.7	60.4	0	0	0	0	110.5	L88 A89	T73-L88 WeakPolarHBondContact O-CA 3.47Å; T73-A89 PolarHBondContact N-O 3.38Å; T73-A89 PolarHBondContact O-N 2.98Å
74	K	97.9	Very high	95.6	Very high	67 Å²	67	62.5 Å²	62.5	29%	0.291	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.1	172.5	-56	-173.5	165.7	-158.8	0	108	E61 D62 F72 W86 T87 L88	E61-K74 IonicContact OE1-NZ 3.51Å; D62-K74 IonicContact OD1-NZ 2.57Å; D62-K74 PolarHBondContact OD1-NZ 3.38Å; F72-K74 HydrophobicContact CD2-CG 4.19Å; F72-K74 HydrophobicContact CE2-CD 4.31Å; F72-K74 HydrophobicContact CE2-CG 3.87Å; K74-W86 HydrophobicContact CB-CH2 3.57Å; K74-W86 HydrophobicContact CB-CZ2 3.8Å; K74-W86 HydrophobicContact CB-CZ3 4.24Å; K74-W86 HydrophobicContact CD-CH2 4.08Å; K74-W86 HydrophobicContact CD-CZ2 3.79Å; K74-W86 HydrophobicContact CG-CH2 4.4Å; K74-W86 HydrophobicContact CG-CZ2 4.22Å; K74-T87 WeakPolarHBondContact CA-O 3.46Å; K74-L88 HydrophobicContact CB-CD2 4.34Å; K74-L88 HydrophobicContact CD-CD2 4.29Å; K74-L88 HydrophobicContact CG-CD2 3.7Å
75	E	97.4	Very high	95.8	Very high	79 Å²	79	62.6 Å²	62.6	37%	0.369	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	148.6	-178	62	178.7	164	0	0	113	V77 T87	E75-V77 HydrophobicContact CG-CG2 3.82Å; E75-T87 PolarHBondContact N-O 3.4Å; E75-T87 PolarHBondContact O-N 2.82Å
76	F	98.3	Very high	95.9	Very high	76 Å²	76	63 Å²	63	33%	0.333	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	107.3	164.9	-77.1	-74	0	0	0	108.6	M84 W86 Q137	F76-M84 HydrophobicContact CB-CB 4.12Å; F76-M84 HydrophobicContact CB-SD 3.86Å; F76-M84 HydrophobicContact CD1-CB 3.98Å; F76-M84 HydrophobicContact CG-CB 4.47Å; F76-M84 HydrophobicContact CG-SD 4.42Å; F76-W86 HydrophobicContact CD1-CB 4.35Å; F76-W86 AromaticContact CD1-CE3 3.87Å; F76-W86 HydrophobicContact CD1-CE3 3.87Å; F76-W86 AromaticContact CD2-CE3 3.68Å; F76-W86 HydrophobicContact CD2-CE3 3.68Å; F76-W86 AromaticContact CD2-CZ3 3.64Å; F76-W86 HydrophobicContact CD2-CZ3 3.64Å; F76-W86 HydrophobicContact CE1-CB 4.02Å; F76-W86 HydrophobicContact CE1-CD2 4.29Å; F76-W86 AromaticContact CE1-CE3 3.63Å; F76-W86 HydrophobicContact CE1-CE3 3.63Å; F76-W86 HydrophobicContact CE1-CZ3 4.39Å; F76-W86 AromaticContact CE2-CE3 3.44Å; F76-W86 HydrophobicContact CE2-CE3 3.44Å; F76-W86 VanDerWaalsContact CE2-CE3 3.44Å; F76-W86 HydrophobicContact CE2-CH2 4.38Å; F76-W86 AromaticContact CE2-CZ3 3.33Å; F76-W86 HydrophobicContact CE2-CZ3 3.33Å; F76-W86 AromaticContact CG-CE3 3.89Å; F76-W86 HydrophobicContact CG-CE3 3.89Å; F76-W86 HydrophobicContact CG-CZ3 4.29Å; F76-W86 HydrophobicContact CZ-CD2 4.2Å; F76-W86 AromaticContact CZ-CE3 3.41Å; F76-W86 HydrophobicContact CZ-CE3 3.41Å; F76-W86 VanDerWaalsContact CZ-CE3 3.41Å; F76-W86 AromaticContact CZ-CZ3 3.76Å; F76-W86 HydrophobicContact CZ-CZ3 3.76Å; F76-Q137 HydrophobicContact CE1-CB 4.36Å; F76-Q137 WeakPolarHBondContact CE1-O 3.29Å; F76-Q137 HydrophobicContact CZ-CB 4.31Å
77	V	98.5	Very high	96	Very high	3 Å²	3	59 Å²	59	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.6	177.7	-178.3	0	0	0	0	108.6	E75 M84 L85 T87 W161 K164 V165	E75-V77 HydrophobicContact CG-CG2 3.82Å; V77-M84 CarbonylContact O-C 3.6Å; V77-M84 WeakPolarHBondContact O-CA 3.06Å; V77-L85 PolarHBondContact N-O 3.12Å; V77-L85 PolarHBondContact O-N 3.29Å; V77-T87 WeakPolarHBondContact CG2-OG1 3.48Å; V77-W161 HydrophobicContact CG1-CG 4.43Å; V77-K164 HydrophobicContact CG1-CB 3.72Å; V77-K164 HydrophobicContact CG1-CG 3.57Å; V77-V165 HydrophobicContact CG1-CG2 4.09Å; V77-V165 HydrophobicContact CG2-CG2 3.95Å
78	P	98.1	Very high	96.3	Very high	67 Å²	67	56.5 Å²	56.5	44%	0.435	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.2	-179.2	29.9	-35.1	0	0	0	111.1	K164	P78-K164 HydrophobicContact CG-CD 4.4Å; P78-K164 HydrophobicContact CG-CG 4.34Å
79	V	96.8	Very high	96.5	Very high	16 Å²	16	56 Å²	56	10%	0.097	32%	0.321	C	S	.	.			trans	-125.6	-179.8	171.7	-63.3	0	0	0	0	108.8	N83 L85 Q160 W161	V79-N83 HydrophobicContact CG2-CB 3.63Å; V79-N83 VanDerWaalsContact CG2-O 3.29Å; V79-N83 WeakPolarHBondContact CG2-O 3.44Å; V79-N83 PolarHBondContact N-O 3.13Å; V79-L85 HydrophobicContact CG1-CG 4.17Å; V79-L85 HydrophobicContact CG2-CG 4.37Å; V79-Q160 HydrophobicContact CB-CB 4.02Å; V79-Q160 HydrophobicContact CG1-CB 3.82Å; V79-W161 HydrophobicContact CG1-CB 4.21Å
80	S	89.5	Confident	96.6	Very high	58 Å²	58	45.3 Å²	45.3	41%	0.406	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58.9	158.2	-174.4	59.4	0	0	0	0	113.9	G82 N83 Q160	S80-G82 PolarHBondContact O-N 3.18Å; S80-N83 WeakPolarHBondContact O-CB 3.37Å; S80-N83 PolarHBondContact O-N 3.11Å; S80-N83 PolarHBondContact O-ND2 3.29Å; S80-Q160 VanDerWaalsContact OG-CD 3.31Å; S80-Q160 PolarHBondContact OG-NE2 2.75Å; S80-Q160 VanDerWaalsContact OG-NE2 3.09Å; S80-Q160 PolarHBondContact OG-OE1 3.19Å
81	C	90.8	Very high	96.6	Very high	122 Å²	122	47.2 Å²	47.2	82%	0.824	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	60.5	27.8	178.1	-55.4	0	0	0	0	114.5	N83	C81-N83 PolarHBondContact O-N 2.9Å
82	G	91.6	Very high	96.5	Very high	69 Å²	69	45.4 Å²	45.4	71%	0.711	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	72.5	10.7	179.4	0	0	0	0	0	114	S80	S80-G82 PolarHBondContact O-N 3.18Å
83	N	97.3	Very high	96.1	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.134	29%	0.293	C	S	.	.			trans	-77.7	154.6	174.4	-62.2	-59.8	0	0	0	110.3	V79 S80 C81 L133 T139	V79-N83 HydrophobicContact CG2-CB 3.63Å; V79-N83 VanDerWaalsContact CG2-O 3.29Å; V79-N83 WeakPolarHBondContact CG2-O 3.44Å; V79-N83 PolarHBondContact N-O 3.13Å; S80-N83 WeakPolarHBondContact O-CB 3.37Å; S80-N83 PolarHBondContact O-N 3.11Å; S80-N83 PolarHBondContact O-ND2 3.29Å; C81-N83 PolarHBondContact O-N 2.9Å; N83-L133 HydrophobicContact CB-CD1 3.89Å; N83-T139 HydrophobicContact CB-CG2 4.2Å; N83-T139 WeakPolarHBondContact OD1-CG2 3.27Å
84	M	98.1	Very high	95.8	Very high	77 Å²	77	50.9 Å²	50.9	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.2	178.5	-60.2	-171	-73.7	0	0	109.9	F76 V77 S138 T139	F76-M84 HydrophobicContact CB-CB 4.12Å; F76-M84 HydrophobicContact CB-SD 3.86Å; F76-M84 HydrophobicContact CD1-CB 3.98Å; F76-M84 HydrophobicContact CG-CB 4.47Å; F76-M84 HydrophobicContact CG-SD 4.42Å; V77-M84 CarbonylContact O-C 3.6Å; V77-M84 WeakPolarHBondContact O-CA 3.06Å; M84-S138 WeakPolarHBondContact O-CA 3.48Å; M84-T139 PolarHBondContact N-OG1 2.75Å; M84-T139 PolarHBondContact O-N 2.97Å; M84-T139 PolarHBondContact O-OG1 3.37Å
85	L	98.6	Very high	95.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.7	171.5	-61.1	-164.3	0	0	0	110.4	V77 V79 T87 L133 S138 W161	V77-L85 PolarHBondContact N-O 3.12Å; V77-L85 PolarHBondContact O-N 3.29Å; V79-L85 HydrophobicContact CG1-CG 4.17Å; V79-L85 HydrophobicContact CG2-CG 4.37Å; L85-T87 PolarHBondContact O-N 2.91Å; L85-T87 PolarHBondContact O-OG1 3.13Å; L85-L133 HydrophobicContact CD2-CB 3.92Å; L85-L133 HydrophobicContact CD2-CD1 3.98Å; L85-S138 WeakPolarHBondContact CA-OG 3.19Å; L85-W161 HydrophobicContact CD1-CB 3.82Å; L85-W161 HydrophobicContact CD1-CG 4.24Å
86	W	98.6	Very high	95.2	Very high	14 Å²	14	49.4 Å²	49.4	5%	0.053	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.7	171.5	-179.2	-115.3	0	0	0	110.1	E61 K74 F76 D131 Q137 S138	E61-W86 VanDerWaalsContact CD-NE1 3.34Å; E61-W86 WeakPolarHBondContact OE1-CZ2 3.33Å; E61-W86 PolarHBondContact OE1-NE1 2.85Å; E61-W86 PolarHBondContact OE2-NE1 2.74Å; E61-W86 VanDerWaalsContact OE2-NE1 3.08Å; K74-W86 HydrophobicContact CB-CH2 3.57Å; K74-W86 HydrophobicContact CB-CZ2 3.8Å; K74-W86 HydrophobicContact CB-CZ3 4.24Å; K74-W86 HydrophobicContact CD-CH2 4.08Å; K74-W86 HydrophobicContact CD-CZ2 3.79Å; K74-W86 HydrophobicContact CG-CH2 4.4Å; K74-W86 HydrophobicContact CG-CZ2 4.22Å; F76-W86 HydrophobicContact CD1-CB 4.35Å; F76-W86 AromaticContact CD1-CE3 3.87Å; F76-W86 HydrophobicContact CD1-CE3 3.87Å; F76-W86 AromaticContact CD2-CE3 3.68Å; F76-W86 HydrophobicContact CD2-CE3 3.68Å; F76-W86 AromaticContact CD2-CZ3 3.64Å; F76-W86 HydrophobicContact CD2-CZ3 3.64Å; F76-W86 HydrophobicContact CE1-CB 4.02Å; F76-W86 HydrophobicContact CE1-CD2 4.29Å; F76-W86 AromaticContact CE1-CE3 3.63Å; F76-W86 HydrophobicContact CE1-CE3 3.63Å; F76-W86 HydrophobicContact CE1-CZ3 4.39Å; F76-W86 AromaticContact CE2-CE3 3.44Å; F76-W86 HydrophobicContact CE2-CE3 3.44Å; F76-W86 VanDerWaalsContact CE2-CE3 3.44Å; F76-W86 HydrophobicContact CE2-CH2 4.38Å; F76-W86 AromaticContact CE2-CZ3 3.33Å; F76-W86 HydrophobicContact CE2-CZ3 3.33Å; F76-W86 AromaticContact CG-CE3 3.89Å; F76-W86 HydrophobicContact CG-CE3 3.89Å; F76-W86 HydrophobicContact CG-CZ3 4.29Å; F76-W86 HydrophobicContact CZ-CD2 4.2Å; F76-W86 AromaticContact CZ-CE3 3.41Å; F76-W86 HydrophobicContact CZ-CE3 3.41Å; F76-W86 VanDerWaalsContact CZ-CE3 3.41Å; F76-W86 AromaticContact CZ-CZ3 3.76Å; F76-W86 HydrophobicContact CZ-CZ3 3.76Å; W86-D131 HydrophobicContact CB-CB 4.15Å; W86-D131 VanDerWaalsContact CD1-OD2 3.28Å; W86-D131 PolarHBondContact O-N 3.19Å; W86-Q137 HydrophobicContact CB-CB 3.78Å; W86-Q137 HydrophobicContact CD2-CB 4.11Å; W86-Q137 HydrophobicContact CG-CB 3.67Å; W86-Q137 HydrophobicContact CG-CG 4.4Å; W86-S138 PolarHBondContact N-OG 3.36Å
87	T	98.7	Very high	95	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.5	-171	-56.8	0	0	0	0	110.2	K74 E75 V77 L85 Y128 A129 L130 W161	K74-T87 WeakPolarHBondContact CA-O 3.46Å; E75-T87 PolarHBondContact N-O 3.4Å; E75-T87 PolarHBondContact O-N 2.82Å; V77-T87 WeakPolarHBondContact CG2-OG1 3.48Å; L85-T87 PolarHBondContact O-N 2.91Å; L85-T87 PolarHBondContact O-OG1 3.13Å; T87-Y128 HydrophobicContact CG2-CD1 4.28Å; T87-A129 WeakPolarHBondContact CA-O 3.17Å; T87-L130 HydrophobicContact CG2-CD2 3.55Å; T87-L130 WeakPolarHBondContact OG1-CD2 3.39Å; T87-W161 HydrophobicContact CG2-CZ2 4.13Å; T87-W161 PolarHBondContact OG1-NE1 2.65Å
88	L	98.6	Very high	94.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.2	160.2	-52.3	-177.6	0	0	0	108.3	L65 F72 T73 K74 F90 V111 Y128 A129	L65-L88 HydrophobicContact CD1-CD1 3.74Å; L65-L88 HydrophobicContact CD1-CD2 4.03Å; L65-L88 HydrophobicContact CD2-CD1 3.77Å; L65-L88 HydrophobicContact CG-CD1 4.44Å; F72-L88 HydrophobicContact CD2-CD2 4.34Å; F72-L88 HydrophobicContact CE2-CD2 4.24Å; T73-L88 WeakPolarHBondContact O-CA 3.47Å; K74-L88 HydrophobicContact CB-CD2 4.34Å; K74-L88 HydrophobicContact CD-CD2 4.29Å; K74-L88 HydrophobicContact CG-CD2 3.7Å; L88-F90 HydrophobicContact CB-CE2 3.77Å; L88-F90 HydrophobicContact CD1-CE2 4.42Å; L88-V111 HydrophobicContact CD1-CB 3.73Å; L88-V111 HydrophobicContact CD1-CG2 3.71Å; L88-V111 HydrophobicContact CD2-CG2 4.46Å; L88-V111 HydrophobicContact CG-CB 4.02Å; L88-V111 HydrophobicContact CG-CG1 4.34Å; L88-V111 HydrophobicContact CG-CG2 3.89Å; L88-Y128 WeakPolarHBondContact O-CA 3.44Å; L88-A129 HydrophobicContact CB-CB 4.36Å; L88-A129 PolarHBondContact N-O 2.98Å; L88-A129 PolarHBondContact O-N 2.99Å
89	A	98.3	Very high	94.9	Very high	8 Å²	8	54.2 Å²	54.2	7%	0.066	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.8	176.6	0	0	0	0	0	110.9	F72 T73 Y128	F72-A89 CarbonylContact C-O 3.52Å; F72-A89 VanDerWaalsContact CA-O 3.23Å; F72-A89 WeakPolarHBondContact CA-O 3.45Å; F72-A89 WeakPolarHBondContact CB-O 3.41Å; T73-A89 PolarHBondContact N-O 3.38Å; T73-A89 PolarHBondContact O-N 2.98Å; A89-Y128 HydrophobicContact CB-CD1 3.64Å; A89-Y128 HydrophobicContact CB-CE1 3.56Å
90	F	97.8	Very high	94.9	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.013	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	97.3	175.3	-58.9	-103.6	0	0	0	107.5	I68 F72 L88 V118 P126 V127	I68-F90 HydrophobicContact CD1-CZ 4.27Å; I68-F90 HydrophobicContact CG2-CE1 3.73Å; I68-F90 HydrophobicContact CG2-CZ 4.37Å; F72-F90 HydrophobicContact CB-CD1 3.48Å; F72-F90 VanDerWaalsContact CB-CD1 3.48Å; F72-F90 HydrophobicContact CB-CD2 4.2Å; F72-F90 HydrophobicContact CB-CE1 3.4Å; F72-F90 VanDerWaalsContact CB-CE1 3.4Å; F72-F90 HydrophobicContact CB-CE2 4.15Å; F72-F90 HydrophobicContact CB-CG 3.86Å; F72-F90 HydrophobicContact CB-CZ 3.74Å; F72-F90 HydrophobicContact CD1-CD1 4.38Å; F72-F90 AromaticContact CD1-CE1 3.59Å; F72-F90 HydrophobicContact CD1-CE1 3.59Å; F72-F90 AromaticContact CD1-CZ 3.99Å; F72-F90 HydrophobicContact CD1-CZ 3.99Å; F72-F90 HydrophobicContact CD2-CE1 4.48Å; F72-F90 HydrophobicContact CD2-CZ 4.17Å; F72-F90 HydrophobicContact CE1-CE1 4.49Å; F72-F90 HydrophobicContact CG-CD1 4.2Å; F72-F90 AromaticContact CG-CE1 3.59Å; F72-F90 HydrophobicContact CG-CE1 3.59Å; F72-F90 HydrophobicContact CG-CE2 4.44Å; F72-F90 AromaticContact CG-CZ 3.72Å; F72-F90 HydrophobicContact CG-CZ 3.72Å; L88-F90 HydrophobicContact CB-CE2 3.77Å; L88-F90 HydrophobicContact CD1-CE2 4.42Å; F90-V118 HydrophobicContact CD2-CB 4.44Å; F90-V118 HydrophobicContact CE1-CB 4.19Å; F90-V118 HydrophobicContact CE1-CG2 4.06Å; F90-V118 HydrophobicContact CE2-CB 3.95Å; F90-V118 HydrophobicContact CE2-CG1 4Å; F90-V118 HydrophobicContact CE2-CG2 4.29Å; F90-V118 HydrophobicContact CZ-CB 3.83Å; F90-V118 HydrophobicContact CZ-CG1 4.27Å; F90-V118 HydrophobicContact CZ-CG2 3.71Å; F90-P126 CarbonylContact O-C 3.57Å; F90-P126 VanDerWaalsContact O-CA 3.28Å; F90-P126 WeakPolarHBondContact O-CA 3.48Å; F90-V127 HydrophobicContact CB-CB 4.11Å; F90-V127 HydrophobicContact CD2-CB 4.29Å; F90-V127 HydrophobicContact CD2-CG1 4.49Å; F90-V127 HydrophobicContact CG-CB 4.49Å; F90-V127 PolarHBondContact N-O 3.3Å; F90-V127 PolarHBondContact O-N 2.91Å
91	C	93.8	Very high	95.4	Very high	69 Å²	69	51.7 Å²	51.7	47%	0.466	31%	0.306	S	S	.	.			trans	-136.1	118.7	178.6	-169.9	0	0	0	0	108.6	P126	C91-P126 HydrophobicContact CB-CB 4.39Å
92	S	92.1	Very high	95.8	Very high	54 Å²	54	45.9 Å²	45.9	38%	0.378	27%	0.267	S	S	.	.			trans	-111.9	153.3	172.4	76.4	0	0	0	0	109.7	V94 V95 K96	S92-V94 PolarHBondContact O-N 3.05Å; S92-V95 PolarHBondContact O-N 3.31Å; S92-V95 VanDerWaalsContact O-N 3.16Å; S92-K96 PolarHBondContact O-N 2.98Å
93	D	90.1	Very high	96.1	Very high	125 Å²	125	42.6 Å²	42.6	67%	0.668	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.5	178.3	-82	-51.9	0	0	0	113.8	K96	D93-K96 IonicContact OD1-NZ 2.74Å; D93-K96 PolarHBondContact OD1-NZ 3.17Å
94	V	90.4	Very high	96.2	Very high	134 Å²	134	41.5 Å²	41.5	81%	0.812	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-31.7	-178.4	-178.1	0	0	0	0	112	S92	S92-V94 PolarHBondContact O-N 3.05Å
95	V	91.6	Very high	96.2	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-2.9	-170.8	-55.7	0	0	0	0	113.6	S92 D97 K98 Q123 D124 P126	S92-V95 PolarHBondContact O-N 3.31Å; S92-V95 VanDerWaalsContact O-N 3.16Å; V95-D97 PolarHBondContact O-N 3.08Å; V95-K98 PolarHBondContact O-N 3.4Å; V95-Q123 WeakPolarHBondContact CG1-O 3.37Å; V95-D124 WeakPolarHBondContact CB-O 3.36Å; V95-D124 WeakPolarHBondContact CG1-O 3.26Å; V95-P126 HydrophobicContact CG2-CG 4.45Å; V95-P126 VanDerWaalsContact O-CD 3.29Å; V95-P126 WeakPolarHBondContact O-CD 3.27Å
96	K	91.8	Very high	96	Very high	104 Å²	104	38 Å²	38	45%	0.452	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.6	-171.8	66.8	179.6	169.1	-165.4	0	115.8	S92 D93	S92-K96 PolarHBondContact O-N 2.98Å; D93-K96 IonicContact OD1-NZ 2.74Å; D93-K96 PolarHBondContact OD1-NZ 3.17Å
97	D	93.3	Very high	95.6	Very high	149 Å²	149	39 Å²	39	80%	0.797	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.4	-177.6	-60	-37.9	0	0	0	113	V95	V95-D97 PolarHBondContact O-N 3.08Å
98	K	96.6	Very high	94.9	Very high	77 Å²	77	39.6 Å²	39.6	34%	0.335	22%	0.221	S	C	.	.	S	Bend	trans	-79.4	154.8	174.1	-63.8	-149.7	-168	-178.5	0	111.8	V95 P100 D124 R125	V95-K98 PolarHBondContact O-N 3.4Å; K98-P100 WeakPolarHBondContact O-CD 3.5Å; K98-D124 WeakPolarHBondContact CD-O 3.17Å; K98-D124 VanDerWaalsContact CE-O 3.29Å; K98-D124 WeakPolarHBondContact CE-O 3.38Å; K98-D124 IonicContact NZ-OD1 3.72Å; K98-D124 PolarHBondContact NZ-OD1 3.38Å; K98-D124 IonicContact NZ-OD2 3.86Å; K98-R125 HydrophobicContact CB-CB 3.87Å; K98-R125 HydrophobicContact CD-CB 4.36Å
99	T	98	Very high	94.6	Very high	21 Å²	21	39.6 Å²	39.6	13%	0.129	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-58.7	121.2	174.2	-55.5	0	0	0	0	110.1	R125 I171 K194 V371 D372	T99-R125 WeakPolarHBondContact O-CD 3.46Å; T99-R125 PolarHBondContact O-NH1 3.07Å; T99-I171 HydrophobicContact CG2-CD1 4.41Å; T99-I171 HydrophobicContact CG2-CG1 3.98Å; T99-K194 HydrophobicContact CG2-CB 4.13Å; T99-K194 HydrophobicContact CG2-CG 3.91Å; T99-V371 HydrophobicContact CG2-CG1 4.23Å; T99-D372 WeakPolarHBondContact CB-OD1 3.37Å; T99-D372 PolarHBondContact N-OD1 3.4Å; T99-D372 PolarHBondContact OG1-OD1 2.81Å
100	P	98.5	Very high	94.4	Very high	20 Å²	20	39.2 Å²	39.2	13%	0.13	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.3	149.2	-178.4	27.9	-34.6	0	0	0	111.4	K98 P126 Y128 V167 S169 M170 I171	K98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-P126 VanDerWaalsContact CA-O 3.3Å; P100-P126 WeakPolarHBondContact CA-O 3.34Å; P100-P126 HydrophobicContact CB-CB 4.04Å; P100-P126 HydrophobicContact CB-CG 4.49Å; P100-Y128 HydrophobicContact CB-CD2 4.17Å; P100-Y128 HydrophobicContact CB-CE2 3.96Å; P100-V167 HydrophobicContact CG-CG1 3.62Å; P100-V167 HydrophobicContact CG-CG2 4.48Å; P100-S169 WeakPolarHBondContact CD-O 3.25Å; P100-S169 WeakPolarHBondContact CG-O 3.41Å; P100-M170 HydrophobicContact CG-CB 4.36Å; P100-M170 WeakPolarHBondContact O-CA 3.42Å; P100-I171 PolarHBondContact O-N 2.87Å
101	I	98.8	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.3	171.2	-173.3	172.2	0	0	0	110.6	L103 R125 P126 V127 Y128 I171 L173 V364	I101-L103 HydrophobicContact CD1-CD2 4.05Å; I101-L103 HydrophobicContact CG1-CD2 3.93Å; I101-R125 HydrophobicContact CG2-CG 3.93Å; I101-P126 PolarHBondContact N-O 3.24Å; I101-V127 HydrophobicContact CG2-CB 4.21Å; I101-V127 HydrophobicContact CG2-CG1 4.21Å; I101-V127 HydrophobicContact CG2-CG2 3.69Å; I101-V127 WeakPolarHBondContact O-CA 3.46Å; I101-Y128 PolarHBondContact O-N 3.5Å; I101-I171 CarbonylContact C-O 3.54Å; I101-I171 WeakPolarHBondContact CA-O 3.48Å; I101-I171 HydrophobicContact CB-CB 4.25Å; I101-I171 HydrophobicContact CD1-CG2 4.15Å; I101-I171 HydrophobicContact CG1-CB 4.16Å; I101-I171 HydrophobicContact CG1-CG2 3.98Å; I101-L173 HydrophobicContact CD1-CB 4.02Å; I101-L173 HydrophobicContact CD1-CD1 4.04Å; I101-L173 HydrophobicContact CG1-CB 4.24Å; I101-V364 HydrophobicContact CD1-CG1 3.72Å
102	V	98.9	Very high	94.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.5	178.6	-177.7	0	0	0	0	110.1	L104 Y128 L130 W161 M170 I171 L173	V102-L104 HydrophobicContact CG1-CD2 4.08Å; V102-Y128 CarbonylContact C-O 3.55Å; V102-Y128 VanDerWaalsContact CA-O 3.28Å; V102-Y128 WeakPolarHBondContact CA-O 3.12Å; V102-Y128 HydrophobicContact CG2-CD2 4.46Å; V102-L130 HydrophobicContact CG1-CD1 3.87Å; V102-L130 HydrophobicContact CG1-CG 4.29Å; V102-W161 HydrophobicContact CG1-CH2 3.99Å; V102-W161 HydrophobicContact CG1-CZ3 3.91Å; V102-W161 HydrophobicContact CG2-CH2 3.78Å; V102-W161 HydrophobicContact CG2-CZ3 3.91Å; V102-M170 HydrophobicContact CB-SD 4Å; V102-M170 HydrophobicContact CG2-CB 3.98Å; V102-M170 HydrophobicContact CG2-CG 4.25Å; V102-M170 HydrophobicContact CG2-SD 3.38Å; V102-M170 WeakPolarHBondContact CG2-SD 3.47Å; V102-I171 PolarHBondContact N-O 3.45Å; V102-L173 PolarHBondContact O-N 2.81Å
103	L	98.9	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.1	-174.7	-47.4	-175.6	0	0	0	110.6	I101 W114 V118 L121 V127 Y128 A129 L130 L173	I101-L103 HydrophobicContact CD1-CD2 4.05Å; I101-L103 HydrophobicContact CG1-CD2 3.93Å; L103-W114 HydrophobicContact CB-CD2 4.29Å; L103-W114 HydrophobicContact CB-CG 4.36Å; L103-W114 HydrophobicContact CB-CZ2 4.33Å; L103-W114 HydrophobicContact CD1-CB 4.09Å; L103-W114 HydrophobicContact CD1-CD2 4.08Å; L103-W114 HydrophobicContact CD1-CG 3.87Å; L103-V118 HydrophobicContact CD1-CG1 3.93Å; L103-L121 HydrophobicContact CD1-CD1 4.43Å; L103-L121 HydrophobicContact CD2-CD1 4.29Å; L103-V127 HydrophobicContact CD1-CG1 3.71Å; L103-V127 HydrophobicContact CG-CG1 3.93Å; L103-Y128 PolarHBondContact N-O 3.14Å; L103-A129 HydrophobicContact CB-CB 4.18Å; L103-A129 HydrophobicContact CD1-CB 4.34Å; L103-L130 PolarHBondContact O-N 3.39Å; L103-L173 WeakPolarHBondContact CA-O 3.21Å; L103-L173 HydrophobicContact CD2-CB 3.83Å; L103-L173 HydrophobicContact CD2-CD1 4.14Å; L103-L173 HydrophobicContact CD2-CD2 4.3Å; L103-L173 HydrophobicContact CD2-CG 4.31Å
104	L	98.8	Very high	95.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.9	177.1	-52.5	-177.3	0	0	0	109.9	V102 L130 L132 I158 I172 L173 H175 A182	V102-L104 HydrophobicContact CG1-CD2 4.08Å; L104-L130 HydrophobicContact CD2-CB 4.49Å; L104-L130 HydrophobicContact CD2-CD1 4.09Å; L104-L132 HydrophobicContact CB-CD2 4.49Å; L104-L132 HydrophobicContact CD2-CD2 4.14Å; L104-I158 HydrophobicContact CD1-CD1 3.97Å; L104-I158 HydrophobicContact CD2-CD1 4.5Å; L104-I172 HydrophobicContact CD1-CG2 3.63Å; L104-I172 HydrophobicContact CG-CG2 4.01Å; L104-L173 PolarHBondContact N-O 2.61Å; L104-H175 PolarHBondContact O-N 2.87Å; L104-A182 HydrophobicContact CD1-CB 4.37Å
105	H	98.3	Very high	95.5	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.111	C	C	.	.			trans	-74	163.2	-179.8	69.4	71.5	0	0	0	112.7	G109 L130 D131 L132 F135 H175 G178	H105-G109 PolarHBondContact CE1-O 2.91Å; H105-G109 VanDerWaalsContact CG-C 3.5Å; H105-G109 VanDerWaalsContact ND1-C 3.27Å; H105-G109 PolarHBondContact ND1-O 2.81Å; H105-G109 PolarHBondContact NE2-O 2.83Å; H105-L130 PolarHBondContact CD2-O 3.3Å; H105-D131 IonicContact CD2-OD1 3.22Å; H105-L132 PolarHBondContact NE2-N 2.87Å; H105-L132 WeakPolarHBondContact O-CD1 3.39Å; H105-F135 AromaticContact CE1-CG 3.88Å; H105-H175 CarbonylContact C-O 3.53Å; H105-G178 PolarHBondContact O-N 2.99Å
106	G	93.9	Very high	95.7	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.031	11%	0.112	C	C	.	.			trans	-79.4	-179.4	174	0	0	0	0	0	114.6	G108 G109 H175	G106-G108 PolarHBondContact O-N 2.99Å; G106-G109 PolarHBondContact O-N 2.86Å; G106-H175 WeakPolarHBondContact CA-O 3.27Å; G106-H175 PolarHBondContact N-O 3.44Å
107	F	90.7	Very high	96	Very high	36 Å²	36	16.9 Å²	16.9	16%	0.158	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	130.5	176.6	173.5	-93.7	0	0	0	111.9	G109 F135 L177 P233 L234 E283 F286	F107-G109 PolarHBondContact O-N 3.17Å; F107-F135 HydrophobicContact CD2-CE1 4.05Å; F107-F135 AromaticContact CD2-CZ 3.96Å; F107-F135 HydrophobicContact CD2-CZ 3.96Å; F107-F135 HydrophobicContact CE2-CE1 4.32Å; F107-F135 HydrophobicContact CE2-CZ 4.39Å; F107-L177 HydrophobicContact CB-CB 4.41Å; F107-L177 HydrophobicContact CB-CD2 4.47Å; F107-P233 HydrophobicContact CE1-CG 4.19Å; F107-P233 HydrophobicContact CZ-CG 4.41Å; F107-L234 HydrophobicContact CE1-CD1 4.1Å; F107-L234 HydrophobicContact CE1-CG 4.36Å; F107-L234 HydrophobicContact CZ-CD1 4.02Å; F107-L234 HydrophobicContact CZ-CG 4.44Å; F107-E283 HydrophobicContact CE2-CB 4.23Å; F107-E283 HydrophobicContact CE2-CG 3.91Å; F107-E283 HydrophobicContact CZ-CG 4.03Å; F107-F286 HydrophobicContact CD2-CB 3.76Å; F107-F286 AromaticContact CD2-CD1 3.38Å; F107-F286 HydrophobicContact CD2-CD1 3.38Å; F107-F286 HydrophobicContact CD2-CD2 4.2Å; F107-F286 HydrophobicContact CD2-CE1 4.01Å; F107-F286 AromaticContact CD2-CG 3.49Å; F107-F286 HydrophobicContact CD2-CG 3.49Å; F107-F286 VanDerWaalsContact CD2-CG 3.49Å; F107-F286 HydrophobicContact CE2-CB 3.89Å; F107-F286 AromaticContact CE2-CD1 3.55Å; F107-F286 HydrophobicContact CE2-CD1 3.55Å; F107-F286 HydrophobicContact CE2-CE1 4.37Å; F107-F286 AromaticContact CE2-CG 3.91Å; F107-F286 HydrophobicContact CE2-CG 3.91Å; F107-F286 HydrophobicContact CG-CD1 4.07Å; F107-F286 HydrophobicContact CG-CE1 4.24Å; F107-F286 HydrophobicContact CG-CG 4.37Å; F107-F286 HydrophobicContact CZ-CD1 4.38Å
108	G	84.4	Confident	96.3	Very high	12 Å²	12	9.9 Å²	9.9	12%	0.124	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	10.9	-178.7	0	0	0	0	0	114.6	G106 L275 N276	G106-G108 PolarHBondContact O-N 2.99Å; G108-L275 VanDerWaalsContact O-CD2 3.22Å; G108-L275 WeakPolarHBondContact O-CD2 3.39Å; G108-N276 WeakPolarHBondContact CA-OD1 3.48Å; G108-N276 PolarHBondContact O-ND2 2.86Å; G108-N276 PolarHBondContact O-OD1 3.18Å
109	G	90.9	Very high	96.2	Very high	2 Å²	2	8.2 Å²	8.2	2%	0.021	5%	0.047	C	C	.	.			trans	-89.9	176.9	173.2	0	0	0	0	0	112.9	H105 G106 F107	H105-G109 PolarHBondContact CE1-O 2.91Å; H105-G109 VanDerWaalsContact CG-C 3.5Å; H105-G109 VanDerWaalsContact ND1-C 3.27Å; H105-G109 PolarHBondContact ND1-O 2.81Å; H105-G109 PolarHBondContact NE2-O 2.83Å; G106-G109 PolarHBondContact O-N 2.86Å; F107-G109 PolarHBondContact O-N 3.17Å
110	G	95.9	Very high	96.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.			trans	-162.3	170.4	176.7	0	0	0	0	0	109.9	G112 L113 D131 Y271	G110-G112 PolarHBondContact O-N 2.73Å; G110-G112 VanDerWaalsContact O-N 3.1Å; G110-L113 WeakPolarHBondContact O-CB 3.24Å; G110-L113 PolarHBondContact O-N 3.12Å; G110-D131 WeakPolarHBondContact CA-OD1 3.34Å; G110-Y271 VanDerWaalsContact C-OH 3.31Å; G110-Y271 WeakPolarHBondContact CA-OH 3.41Å
111	V	97.8	Very high	96.1	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-54.8	-31.5	-174.2	-67.3	0	0	0	0	114	E61 L88 L113 W114 A129 D131 Y271	E61-V111 HydrophobicContact CG-CG2 4.46Å; E61-V111 WeakPolarHBondContact OE2-CG2 3.39Å; L88-V111 HydrophobicContact CD1-CB 3.73Å; L88-V111 HydrophobicContact CD1-CG2 3.71Å; L88-V111 HydrophobicContact CD2-CG2 4.46Å; L88-V111 HydrophobicContact CG-CB 4.02Å; L88-V111 HydrophobicContact CG-CG1 4.34Å; L88-V111 HydrophobicContact CG-CG2 3.89Å; V111-L113 PolarHBondContact O-N 2.5Å; V111-W114 WeakPolarHBondContact O-CB 3.42Å; V111-W114 PolarHBondContact O-N 3.33Å; V111-W114 VanDerWaalsContact O-N 3.08Å; V111-A129 HydrophobicContact CB-CB 4.21Å; V111-A129 VanDerWaalsContact CG1-C 3.49Å; V111-A129 HydrophobicContact CG1-CB 3.87Å; V111-A129 WeakPolarHBondContact CG1-O 3.47Å; V111-D131 WeakPolarHBondContact CG1-OD1 3.35Å; V111-D131 PolarHBondContact N-OD1 2.87Å; V111-Y271 PolarHBondContact N-OH 3.07Å
112	G	96.9	Very high	96.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.7	179.4	0	0	0	0	0	113.9	M64 G110 W114 A115 Y271	M64-G112 WeakPolarHBondContact CE-O 3.39Å; G110-G112 PolarHBondContact O-N 2.73Å; G110-G112 VanDerWaalsContact O-N 3.1Å; G112-W114 PolarHBondContact O-N 3.18Å; G112-A115 WeakPolarHBondContact O-CB 3.45Å; G112-A115 PolarHBondContact O-N 2.72Å; G112-Y271 PolarHBondContact N-OH 3.1Å
113	L	96.4	Very high	95.9	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.026	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-68.5	-18.1	175.6	-64.1	-174.8	0	0	0	112.8	G110 V111 A115 F255 F259 Y271 I272 Y351 F353	G110-L113 WeakPolarHBondContact O-CB 3.24Å; G110-L113 PolarHBondContact O-N 3.12Å; V111-L113 PolarHBondContact O-N 2.5Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 2.88Å; L113-F255 HydrophobicContact CD2-CE1 4.09Å; L113-F259 HydrophobicContact CD2-CZ 4.43Å; L113-F259 WeakPolarHBondContact O-CZ 3.37Å; L113-Y271 HydrophobicContact CD2-CE1 4.4Å; L113-Y271 HydrophobicContact CG-CE1 4.41Å; L113-I272 HydrophobicContact CD2-CG1 4.49Å; L113-Y351 HydrophobicContact CD1-CE1 4.45Å; L113-F353 HydrophobicContact CB-CE2 4.14Å; L113-F353 HydrophobicContact CB-CZ 4.42Å; L113-F353 WeakPolarHBondContact O-CE2 3.25Å
114	W	97.9	Very high	95.8	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-85.6	7.2	176.5	-58.3	119.5	0	0	0	113.9	L103 V111 G112 Q116 N117 V118 L173 H175 F353 F360	L103-W114 HydrophobicContact CB-CD2 4.29Å; L103-W114 HydrophobicContact CB-CG 4.36Å; L103-W114 HydrophobicContact CB-CZ2 4.33Å; L103-W114 HydrophobicContact CD1-CB 4.09Å; L103-W114 HydrophobicContact CD1-CD2 4.08Å; L103-W114 HydrophobicContact CD1-CG 3.87Å; V111-W114 WeakPolarHBondContact O-CB 3.42Å; V111-W114 PolarHBondContact O-N 3.33Å; V111-W114 VanDerWaalsContact O-N 3.08Å; G112-W114 PolarHBondContact O-N 3.18Å; W114-Q116 PolarHBondContact O-N 2.96Å; W114-Q116 VanDerWaalsContact O-N 3.1Å; W114-N117 HydrophobicContact CE3-CB 4.39Å; W114-N117 WeakPolarHBondContact O-CA 3.2Å; W114-N117 WeakPolarHBondContact O-CB 3.47Å; W114-N117 PolarHBondContact O-N 2.8Å; W114-V118 HydrophobicContact CB-CG1 3.79Å; W114-V118 PolarHBondContact O-N 3.31Å; W114-L173 HydrophobicContact CH2-CD2 3.38Å; W114-L173 HydrophobicContact CZ2-CD2 4.03Å; W114-L173 HydrophobicContact CZ3-CD2 3.92Å; W114-H175 HydrophobicContact CH2-CB 3.92Å; W114-H175 HydrophobicContact CZ2-CB 4.14Å; W114-F353 HydrophobicContact CE3-CB 4.42Å; W114-F353 HydrophobicContact CE3-CD1 4.4Å; W114-F353 AromaticContact CE3-CD2 3.85Å; W114-F353 HydrophobicContact CE3-CD2 3.85Å; W114-F353 HydrophobicContact CE3-CE2 4.16Å; W114-F353 AromaticContact CE3-CG 3.98Å; W114-F353 HydrophobicContact CE3-CG 3.98Å; W114-F353 AromaticContact CH2-CD1 3.88Å; W114-F353 HydrophobicContact CH2-CD1 3.88Å; W114-F353 AromaticContact CH2-CE1 3.95Å; W114-F353 HydrophobicContact CH2-CE1 3.95Å; W114-F353 HydrophobicContact CH2-CG 4.27Å; W114-F353 HydrophobicContact CH2-CZ 4.38Å; W114-F353 HydrophobicContact CZ3-CB 3.86Å; W114-F353 AromaticContact CZ3-CD1 3.52Å; W114-F353 HydrophobicContact CZ3-CD1 3.52Å; W114-F353 AromaticContact CZ3-CD2 3.78Å; W114-F353 HydrophobicContact CZ3-CD2 3.78Å; W114-F353 AromaticContact CZ3-CE1 3.91Å; W114-F353 HydrophobicContact CZ3-CE1 3.91Å; W114-F353 HydrophobicContact CZ3-CE2 4.15Å; W114-F353 AromaticContact CZ3-CG 3.44Å; W114-F353 HydrophobicContact CZ3-CG 3.44Å; W114-F353 VanDerWaalsContact CZ3-CG 3.44Å; W114-F353 HydrophobicContact CZ3-CZ 4.19Å; W114-F360 HydrophobicContact CZ3-CE1 4.5Å; W114-F360 HydrophobicContact CZ3-CZ 4.5Å
115	A	96.9	Very high	95.7	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.025	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.4	-173.3	0	0	0	0	0	113.9	M64 G112 L113 N117 M262	M64-A115 HydrophobicContact CE-CB 4.39Å; M64-A115 WeakPolarHBondContact O-CB 3.4Å; G112-A115 WeakPolarHBondContact O-CB 3.45Å; G112-A115 PolarHBondContact O-N 2.72Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 2.88Å; A115-N117 VanDerWaalsContact C-N 3.29Å; A115-N117 PolarHBondContact O-N 2.91Å; A115-M262 HydrophobicContact CB-CE 3.71Å; A115-M262 HydrophobicContact CB-SD 4.13Å
116	Q	97	Very high	95.7	Very high	21 Å²	21	15.6 Å²	15.6	10%	0.098	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.7	175.3	-69.3	-175.6	-3.1	0	0	114.2	W114 K258 F259 M262 A354 P357 N361	W114-Q116 PolarHBondContact O-N 2.96Å; W114-Q116 VanDerWaalsContact O-N 3.1Å; Q116-K258 PolarHBondContact NE2-O 3.46Å; Q116-F259 HydrophobicContact CG-CD1 4.08Å; Q116-F259 HydrophobicContact CG-CE1 4Å; Q116-M262 HydrophobicContact CB-SD 4.25Å; Q116-M262 HydrophobicContact CG-CG 4.17Å; Q116-M262 HydrophobicContact CG-SD 3.21Å; Q116-M262 WeakPolarHBondContact CG-SD 3.46Å; Q116-A354 PolarHBondContact OE1-O 3.19Å; Q116-P357 HydrophobicContact CB-CB 3.71Å; Q116-P357 HydrophobicContact CB-CG 4.49Å; Q116-P357 HydrophobicContact CG-CB 4.4Å; Q116-P357 VanDerWaalsContact OE1-CB 3.27Å; Q116-N361 PolarHBondContact O-ND2 3.02Å
117	N	98.3	Very high	96	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-45.2	-166.7	-47.1	104.5	0	0	0	111.9	W114 A115 E119 A120 L121 F353 F360 N361	W114-N117 HydrophobicContact CE3-CB 4.39Å; W114-N117 WeakPolarHBondContact O-CA 3.2Å; W114-N117 WeakPolarHBondContact O-CB 3.47Å; W114-N117 PolarHBondContact O-N 2.8Å; A115-N117 VanDerWaalsContact C-N 3.29Å; A115-N117 PolarHBondContact O-N 2.91Å; N117-E119 VanDerWaalsContact C-N 3.28Å; N117-E119 PolarHBondContact O-N 3.19Å; N117-A120 PolarHBondContact O-N 3.41Å; N117-A120 VanDerWaalsContact O-N 3.17Å; N117-L121 HydrophobicContact CB-CD1 4.35Å; N117-L121 WeakPolarHBondContact O-CG 3.45Å; N117-L121 PolarHBondContact O-N 3.08Å; N117-L121 VanDerWaalsContact O-N 3.13Å; N117-F353 PolarHBondContact ND2-O 3.05Å; N117-F360 WeakPolarHBondContact ND2-CD1 3.45Å; N117-N361 WeakPolarHBondContact CA-OD1 3.35Å; N117-N361 WeakPolarHBondContact CB-OD1 3.17Å; N117-N361 PolarHBondContact ND2-OD1 3.33Å
118	V	97.8	Very high	96.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-56.5	-39.4	-172.8	-66.5	0	0	0	0	113.1	I68 F90 L103 W114 A120 L121 S122 V127	I68-V118 HydrophobicContact CD1-CG2 3.5Å; I68-V118 HydrophobicContact CG1-CG2 3.97Å; I68-V118 HydrophobicContact CG2-CG2 4.49Å; F90-V118 HydrophobicContact CD2-CB 4.44Å; F90-V118 HydrophobicContact CE1-CB 4.19Å; F90-V118 HydrophobicContact CE1-CG2 4.06Å; F90-V118 HydrophobicContact CE2-CB 3.95Å; F90-V118 HydrophobicContact CE2-CG1 4Å; F90-V118 HydrophobicContact CE2-CG2 4.29Å; F90-V118 HydrophobicContact CZ-CB 3.83Å; F90-V118 HydrophobicContact CZ-CG1 4.27Å; F90-V118 HydrophobicContact CZ-CG2 3.71Å; L103-V118 HydrophobicContact CD1-CG1 3.93Å; W114-V118 HydrophobicContact CB-CG1 3.79Å; W114-V118 PolarHBondContact O-N 3.31Å; V118-A120 PolarHBondContact O-N 3.42Å; V118-L121 PolarHBondContact O-N 2.74Å; V118-S122 VanDerWaalsContact O-CB 3.25Å; V118-S122 WeakPolarHBondContact O-CB 3.07Å; V118-S122 PolarHBondContact O-N 3.28Å; V118-S122 PolarHBondContact O-OG 3.19Å; V118-V127 HydrophobicContact CG1-CG1 4.4Å
119	E	95.6	Very high	97.1	Very high	42 Å²	42	14.7 Å²	14.7	20%	0.196	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-45.5	179.9	-176	65.8	-139.8	0	0	112.6	R69 S70 N117 S122 Q123	R69-E119 WeakPolarHBondContact CA-OE2 3.47Å; R69-E119 PolarHBondContact N-OE2 3.28Å; S70-E119 PolarHBondContact N-OE1 3.2Å; S70-E119 PolarHBondContact N-OE2 2.77Å; S70-E119 VanDerWaalsContact OG-CD 3.26Å; S70-E119 PolarHBondContact OG-OE1 2.79Å; S70-E119 PolarHBondContact OG-OE2 3.05Å; N117-E119 VanDerWaalsContact C-N 3.28Å; N117-E119 PolarHBondContact O-N 3.19Å; E119-S122 PolarHBondContact O-OG 3.15Å; E119-Q123 VanDerWaalsContact O-CG 3.31Å; E119-Q123 WeakPolarHBondContact O-CG 3.43Å; E119-Q123 PolarHBondContact OE1-NE2 2.89Å; E119-Q123 VanDerWaalsContact OE1-NE2 3.14Å
120	A	96.8	Very high	97.3	Very high	30 Å²	30	14.6 Å²	14.6	25%	0.248	8%	0.075	C	C	.	.	H	α-helix	trans	-72.9	-38.7	-179.6	0	0	0	0	0	111.4	N117 V118 N361	N117-A120 PolarHBondContact O-N 3.41Å; N117-A120 VanDerWaalsContact O-N 3.17Å; V118-A120 PolarHBondContact O-N 3.42Å; A120-N361 HydrophobicContact CB-CB 3.99Å
121	L	98.2	Very high	97.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-71	-38.8	-178.8	-62.2	178	0	0	0	112.1	L103 N117 V118 Q123 D124 R125 V127 V364 L365	L103-L121 HydrophobicContact CD1-CD1 4.43Å; L103-L121 HydrophobicContact CD2-CD1 4.29Å; N117-L121 HydrophobicContact CB-CD1 4.35Å; N117-L121 WeakPolarHBondContact O-CG 3.45Å; N117-L121 PolarHBondContact O-N 3.08Å; N117-L121 VanDerWaalsContact O-N 3.13Å; V118-L121 PolarHBondContact O-N 2.74Å; L121-Q123 PolarHBondContact O-N 2.9Å; L121-D124 PolarHBondContact O-N 2.85Å; L121-D124 VanDerWaalsContact O-N 3.12Å; L121-R125 PolarHBondContact O-N 3.03Å; L121-V127 HydrophobicContact CB-CG2 3.63Å; L121-V364 HydrophobicContact CD1-CG1 4.49Å; L121-V364 HydrophobicContact CD2-CB 4.12Å; L121-V364 HydrophobicContact CD2-CG1 3.69Å; L121-L365 HydrophobicContact CD2-CD2 3.91Å; L121-L365 HydrophobicContact CD2-CG 3.99Å
122	S	97.5	Very high	97.5	Very high	9 Å²	9	14.7 Å²	14.7	6%	0.063	8%	0.076	C	C	.	.	H	α-helix	trans	-71.7	-18	-177.1	62	0	0	0	0	114.1	S70 V118 E119 D124 R125	S70-S122 PolarHBondContact OG-OG 2.9Å; V118-S122 VanDerWaalsContact O-CB 3.25Å; V118-S122 WeakPolarHBondContact O-CB 3.07Å; V118-S122 PolarHBondContact O-N 3.28Å; V118-S122 PolarHBondContact O-OG 3.19Å; E119-S122 PolarHBondContact O-OG 3.15Å; S122-D124 VanDerWaalsContact C-N 3.28Å; S122-R125 WeakPolarHBondContact CA-O 3.21Å
123	Q	95.9	Very high	97.6	Very high	129 Å²	129	15 Å²	15	60%	0.603	8%	0.078	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20	173.1	-71.4	173.4	10.5	0	0	112.3	V95 E119 L121	V95-Q123 WeakPolarHBondContact CG1-O 3.37Å; E119-Q123 VanDerWaalsContact O-CG 3.31Å; E119-Q123 WeakPolarHBondContact O-CG 3.43Å; E119-Q123 PolarHBondContact OE1-NE2 2.89Å; E119-Q123 VanDerWaalsContact OE1-NE2 3.14Å; L121-Q123 PolarHBondContact O-N 2.9Å
124	D	96.1	Very high	97.5	Very high	26 Å²	26	14.8 Å²	14.8	14%	0.139	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-42.4	179.4	-178.5	64	0	0	0	113.2	V95 K98 L121 S122 L365	V95-D124 WeakPolarHBondContact CB-O 3.36Å; V95-D124 WeakPolarHBondContact CG1-O 3.26Å; K98-D124 WeakPolarHBondContact CD-O 3.17Å; K98-D124 VanDerWaalsContact CE-O 3.29Å; K98-D124 WeakPolarHBondContact CE-O 3.38Å; K98-D124 IonicContact NZ-OD1 3.72Å; K98-D124 PolarHBondContact NZ-OD1 3.38Å; K98-D124 IonicContact NZ-OD2 3.86Å; L121-D124 PolarHBondContact O-N 2.85Å; L121-D124 VanDerWaalsContact O-N 3.12Å; S122-D124 VanDerWaalsContact C-N 3.28Å; D124-L365 HydrophobicContact CB-CD2 3.45Å; D124-L365 VanDerWaalsContact CB-CD2 3.45Å
125	R	97.5	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-152.2	168.2	-171.7	65.1	-174.1	57.3	-121.7	-7.8	112.3	K98 T99 I101 L121 S122 V127 C368 D372	K98-R125 HydrophobicContact CB-CB 3.87Å; K98-R125 HydrophobicContact CD-CB 4.36Å; T99-R125 WeakPolarHBondContact O-CD 3.46Å; T99-R125 PolarHBondContact O-NH1 3.07Å; I101-R125 HydrophobicContact CG2-CG 3.93Å; L121-R125 PolarHBondContact O-N 3.03Å; S122-R125 WeakPolarHBondContact CA-O 3.21Å; R125-V127 PolarHBondContact O-N 3.47Å; R125-C368 PolarHBondContact NH2-O 2.93Å; R125-D372 IonicContact CZ-OD2 3.02Å; R125-D372 VanDerWaalsContact CZ-OD2 3.22Å; R125-D372 IonicContact NH1-OD1 3.5Å; R125-D372 IonicContact NH1-OD2 3.69Å; R125-D372 PolarHBondContact NH1-OD2 3Å; R125-D372 IonicContact NH2-OD2 3.56Å; R125-D372 PolarHBondContact NH2-OD2 2.78Å
126	P	98.3	Very high	97.3	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.032	8%	0.076	C	C	.	.			trans	-65.7	134.3	173.5	-16.7	32.5	0	0	0	110.2	F90 C91 V95 P100 I101 Y128	F90-P126 CarbonylContact O-C 3.57Å; F90-P126 VanDerWaalsContact O-CA 3.28Å; F90-P126 WeakPolarHBondContact O-CA 3.48Å; C91-P126 HydrophobicContact CB-CB 4.39Å; V95-P126 HydrophobicContact CG2-CG 4.45Å; V95-P126 VanDerWaalsContact O-CD 3.29Å; V95-P126 WeakPolarHBondContact O-CD 3.27Å; P100-P126 VanDerWaalsContact CA-O 3.3Å; P100-P126 WeakPolarHBondContact CA-O 3.34Å; P100-P126 HydrophobicContact CB-CB 4.04Å; P100-P126 HydrophobicContact CB-CG 4.49Å; I101-P126 PolarHBondContact N-O 3.24Å; P126-Y128 HydrophobicContact CB-CE2 4.29Å
127	V	98.8	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.8	179.7	-177.1	0	0	0	0	109.2	F90 I101 L103 V118 L121 R125	F90-V127 HydrophobicContact CB-CB 4.11Å; F90-V127 HydrophobicContact CD2-CB 4.29Å; F90-V127 HydrophobicContact CD2-CG1 4.49Å; F90-V127 HydrophobicContact CG-CB 4.49Å; F90-V127 PolarHBondContact N-O 3.3Å; F90-V127 PolarHBondContact O-N 2.91Å; I101-V127 HydrophobicContact CG2-CB 4.21Å; I101-V127 HydrophobicContact CG2-CG1 4.21Å; I101-V127 HydrophobicContact CG2-CG2 3.69Å; I101-V127 WeakPolarHBondContact O-CA 3.46Å; L103-V127 HydrophobicContact CD1-CG1 3.71Å; L103-V127 HydrophobicContact CG-CG1 3.93Å; V118-V127 HydrophobicContact CG1-CG1 4.4Å; L121-V127 HydrophobicContact CB-CG2 3.63Å; R125-V127 PolarHBondContact O-N 3.47Å
128	Y	98.8	Very high	97.3	Very high	31 Å²	31	14.4 Å²	14.4	12%	0.122	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126	169.6	-61.3	-89.5	0	0	0	109.4	T87 L88 A89 P100 I101 V102 L103 P126 W161 V165 V167	T87-Y128 HydrophobicContact CG2-CD1 4.28Å; L88-Y128 WeakPolarHBondContact O-CA 3.44Å; A89-Y128 HydrophobicContact CB-CD1 3.64Å; A89-Y128 HydrophobicContact CB-CE1 3.56Å; P100-Y128 HydrophobicContact CB-CD2 4.17Å; P100-Y128 HydrophobicContact CB-CE2 3.96Å; I101-Y128 PolarHBondContact O-N 3.5Å; V102-Y128 CarbonylContact C-O 3.55Å; V102-Y128 VanDerWaalsContact CA-O 3.28Å; V102-Y128 WeakPolarHBondContact CA-O 3.12Å; V102-Y128 HydrophobicContact CG2-CD2 4.46Å; L103-Y128 PolarHBondContact N-O 3.14Å; P126-Y128 HydrophobicContact CB-CE2 4.29Å; Y128-W161 HydrophobicContact CD1-CH2 4.26Å; Y128-W161 AromaticContact CD1-CZ2 3.84Å; Y128-W161 HydrophobicContact CD1-CZ2 3.84Å; Y128-W161 HydrophobicContact CD2-CH2 4.38Å; Y128-W161 AromaticContact CG-CH2 3.84Å; Y128-W161 HydrophobicContact CG-CH2 3.84Å; Y128-W161 AromaticContact CG-CZ2 3.85Å; Y128-W161 HydrophobicContact CG-CZ2 3.85Å; Y128-V165 HydrophobicContact CD1-CG1 4.16Å; Y128-V165 HydrophobicContact CE1-CG1 3.49Å; Y128-V165 VanDerWaalsContact CE1-CG1 3.49Å; Y128-V167 HydrophobicContact CD2-CG2 4.25Å; Y128-V167 HydrophobicContact CE2-CG2 3.75Å
129	A	98.8	Very high	97.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.5	172.5	0	0	0	0	0	109.3	T87 L88 L103 V111	T87-A129 WeakPolarHBondContact CA-O 3.17Å; L88-A129 HydrophobicContact CB-CB 4.36Å; L88-A129 PolarHBondContact N-O 2.98Å; L88-A129 PolarHBondContact O-N 2.99Å; L103-A129 HydrophobicContact CB-CB 4.18Å; L103-A129 HydrophobicContact CD1-CB 4.34Å; V111-A129 HydrophobicContact CB-CB 4.21Å; V111-A129 VanDerWaalsContact CG1-C 3.49Å; V111-A129 HydrophobicContact CG1-CB 3.87Å; V111-A129 WeakPolarHBondContact CG1-O 3.47Å
130	L	97.2	Very high	97.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.2	-174.3	-52.5	176.7	0	0	0	111.4	T87 V102 L103 L104 H105 W161	T87-L130 HydrophobicContact CG2-CD2 3.55Å; T87-L130 WeakPolarHBondContact OG1-CD2 3.39Å; V102-L130 HydrophobicContact CG1-CD1 3.87Å; V102-L130 HydrophobicContact CG1-CG 4.29Å; L103-L130 PolarHBondContact O-N 3.39Å; L104-L130 HydrophobicContact CD2-CB 4.49Å; L104-L130 HydrophobicContact CD2-CD1 4.09Å; H105-L130 PolarHBondContact CD2-O 3.3Å; L130-W161 HydrophobicContact CD1-CD2 3.49Å; L130-W161 VanDerWaalsContact CD1-CD2 3.49Å; L130-W161 HydrophobicContact CD1-CE3 3.54Å; L130-W161 HydrophobicContact CD1-CG 4.07Å; L130-W161 HydrophobicContact CD1-CH2 4.06Å; L130-W161 HydrophobicContact CD1-CZ2 4.01Å; L130-W161 HydrophobicContact CD1-CZ3 3.83Å; L130-W161 HydrophobicContact CD2-CD2 3.88Å; L130-W161 HydrophobicContact CD2-CG 4.27Å; L130-W161 HydrophobicContact CD2-CH2 4.29Å; L130-W161 HydrophobicContact CD2-CZ2 3.49Å; L130-W161 VanDerWaalsContact CD2-CZ2 3.49Å; L130-W161 HydrophobicContact CG-CD2 4.31Å; L130-W161 HydrophobicContact CG-CZ2 4.16Å
131	D	98.6	Very high	97.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-78	119.9	156.8	-76	-19.2	0	0	0	108.1	W86 H105 G110 V111 G136 Q137 S138	W86-D131 HydrophobicContact CB-CB 4.15Å; W86-D131 VanDerWaalsContact CD1-OD2 3.28Å; W86-D131 PolarHBondContact O-N 3.19Å; H105-D131 IonicContact CD2-OD1 3.22Å; G110-D131 WeakPolarHBondContact CA-OD1 3.34Å; V111-D131 WeakPolarHBondContact CG1-OD1 3.35Å; V111-D131 PolarHBondContact N-OD1 2.87Å; D131-G136 WeakPolarHBondContact OD2-CA 3.34Å; D131-Q137 PolarHBondContact OD2-N 2.73Å; D131-S138 VanDerWaalsContact CB-OG 3.28Å; D131-S138 WeakPolarHBondContact CB-OG 3.16Å; D131-S138 WeakPolarHBondContact O-CB 3.39Å; D131-S138 PolarHBondContact O-OG 3.43Å
132	L	98.5	Very high	97	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-59.8	147.7	177.6	-66.8	173.4	0	0	0	110.5	L104 H105 G134 F135 F154 I158 L181	L104-L132 HydrophobicContact CB-CD2 4.49Å; L104-L132 HydrophobicContact CD2-CD2 4.14Å; H105-L132 PolarHBondContact NE2-N 2.87Å; H105-L132 WeakPolarHBondContact O-CD1 3.39Å; L132-G134 PolarHBondContact O-N 3.23Å; L132-F135 HydrophobicContact CB-CD2 3.89Å; L132-F135 WeakPolarHBondContact O-CB 3.45Å; L132-F135 PolarHBondContact O-N 2.89Å; L132-F154 HydrophobicContact CB-CE1 4.39Å; L132-I158 HydrophobicContact CD2-CD1 4.28Å; L132-L181 HydrophobicContact CD1-CD1 3.88Å; L132-L181 HydrophobicContact CD2-CD1 4.14Å
133	L	98.1	Very high	96.9	Very high	8 Å²	8	22 Å²	22	4%	0.042	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	129.6	175.5	-172.6	67.6	0	0	0	110.4	N83 L85 F135 T139 P141 F143 F154	N83-L133 HydrophobicContact CB-CD1 3.89Å; L85-L133 HydrophobicContact CD2-CB 3.92Å; L85-L133 HydrophobicContact CD2-CD1 3.98Å; L133-F135 VanDerWaalsContact C-N 3.34Å; L133-T139 WeakPolarHBondContact CD1-O 3.32Å; L133-P141 HydrophobicContact CD1-CG 3.94Å; L133-P141 HydrophobicContact CD2-CG 3.9Å; L133-P141 HydrophobicContact CG-CG 3.81Å; L133-F143 HydrophobicContact CB-CZ 3.98Å; L133-F143 HydrophobicContact CD2-CE1 4.13Å; L133-F143 HydrophobicContact CD2-CE2 4.46Å; L133-F143 HydrophobicContact CD2-CZ 3.71Å; L133-F143 HydrophobicContact CG-CE2 4.24Å; L133-F143 HydrophobicContact CG-CZ 3.7Å; L133-F143 WeakPolarHBondContact O-CZ 3.49Å; L133-F154 HydrophobicContact CB-CD1 4.48Å; L133-F154 WeakPolarHBondContact O-CE1 3.41Å
134	G	95.9	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-0.1	-176.8	0	0	0	0	0	116.2	L132 T139 R140 S281 G282	L132-G134 PolarHBondContact O-N 3.23Å; G134-T139 WeakPolarHBondContact CA-O 3.32Å; G134-T139 PolarHBondContact N-O 2.92Å; G134-R140 PolarHBondContact O-NH1 2.61Å; G134-S281 WeakPolarHBondContact CA-OG 3.41Å; G134-G282 PolarHBondContact O-N 3.13Å
135	F	95.7	Very high	96.7	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.013	12%	0.122	C	C	.	.	S	Bend	trans	-126.1	170.4	175.8	-64.5	-82.5	0	0	0	111.4	H105 F107 L132 L133 Q137 S138 F154 L177 G282 E283	H105-F135 AromaticContact CE1-CG 3.88Å; F107-F135 HydrophobicContact CD2-CE1 4.05Å; F107-F135 AromaticContact CD2-CZ 3.96Å; F107-F135 HydrophobicContact CD2-CZ 3.96Å; F107-F135 HydrophobicContact CE2-CE1 4.32Å; F107-F135 HydrophobicContact CE2-CZ 4.39Å; L132-F135 HydrophobicContact CB-CD2 3.89Å; L132-F135 WeakPolarHBondContact O-CB 3.45Å; L132-F135 PolarHBondContact O-N 2.89Å; L133-F135 VanDerWaalsContact C-N 3.34Å; F135-Q137 PolarHBondContact O-N 3.42Å; F135-S138 WeakPolarHBondContact O-CB 3.33Å; F135-S138 PolarHBondContact O-N 3.41Å; F135-S138 VanDerWaalsContact O-N 3.16Å; F135-F154 HydrophobicContact CD2-CE1 4.26Å; F135-F154 AromaticContact CE2-CE1 3.93Å; F135-F154 HydrophobicContact CE2-CE1 3.93Å; F135-F154 AromaticContact CE2-CZ 3.92Å; F135-F154 HydrophobicContact CE2-CZ 3.92Å; F135-L177 HydrophobicContact CE2-CD2 4.06Å; F135-L177 HydrophobicContact CZ-CD2 4.17Å; F135-G282 WeakPolarHBondContact CZ-O 3.49Å; F135-E283 HydrophobicContact CE1-CG 4.1Å
136	G	94.7	Very high	96.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-143.4	172	0	0	0	0	0	113.4	D131 R140	D131-G136 WeakPolarHBondContact OD2-CA 3.34Å; G136-R140 PolarHBondContact O-NH2 2.83Å
137	Q	96.6	Very high	96.5	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.037	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.3	169.6	-61.6	-165.3	56.8	0	0	113.2	L57 E61 F76 W86 D131 F135	L57-Q137 HydrophobicContact CD2-CG 3.86Å; L57-Q137 HydrophobicContact CG-CG 4Å; E61-Q137 PolarHBondContact OE1-NE2 3.23Å; E61-Q137 PolarHBondContact OE2-NE2 3.15Å; F76-Q137 HydrophobicContact CE1-CB 4.36Å; F76-Q137 WeakPolarHBondContact CE1-O 3.29Å; F76-Q137 HydrophobicContact CZ-CB 4.31Å; W86-Q137 HydrophobicContact CB-CB 3.78Å; W86-Q137 HydrophobicContact CD2-CB 4.11Å; W86-Q137 HydrophobicContact CG-CB 3.67Å; W86-Q137 HydrophobicContact CG-CG 4.4Å; D131-Q137 PolarHBondContact OD2-N 2.73Å; F135-Q137 PolarHBondContact O-N 3.42Å
138	S	97.8	Very high	96.4	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.028	17%	0.167	C	C	.	.	S	Bend	trans	-60.3	156.7	176.1	-69	0	0	0	0	112.2	M84 L85 W86 D131 F135	M84-S138 WeakPolarHBondContact O-CA 3.48Å; L85-S138 WeakPolarHBondContact CA-OG 3.19Å; W86-S138 PolarHBondContact N-OG 3.36Å; D131-S138 VanDerWaalsContact CB-OG 3.28Å; D131-S138 WeakPolarHBondContact CB-OG 3.16Å; D131-S138 WeakPolarHBondContact O-CB 3.39Å; D131-S138 PolarHBondContact O-OG 3.43Å; F135-S138 WeakPolarHBondContact O-CB 3.33Å; F135-S138 PolarHBondContact O-N 3.41Å; F135-S138 VanDerWaalsContact O-N 3.16Å
139	T	96.9	Very high	96.3	Very high	41 Å²	41	33.1 Å²	33.1	25%	0.252	18%	0.184	S	C	.	.			trans	-56	143.8	178.6	-56.5	0	0	0	0	111.2	N83 M84 L133 G134 P141	N83-T139 HydrophobicContact CB-CG2 4.2Å; N83-T139 WeakPolarHBondContact OD1-CG2 3.27Å; M84-T139 PolarHBondContact N-OG1 2.75Å; M84-T139 PolarHBondContact O-N 2.97Å; M84-T139 PolarHBondContact O-OG1 3.37Å; L133-T139 WeakPolarHBondContact CD1-O 3.32Å; G134-T139 WeakPolarHBondContact CA-O 3.32Å; G134-T139 PolarHBondContact N-O 2.92Å; T139-P141 VanDerWaalsContact C-CD 3.4Å; T139-P141 WeakPolarHBondContact O-CD 3.49Å
140	R	95.1	Very high	96.2	Very high	54 Å²	54	33.1 Å²	33.1	20%	0.204	18%	0.184	C	C	.	.			trans	-111.6	74.5	-177.7	-71	177.8	175.8	-101.3	-2.9	111.3	G134 G136 L275 S279 S281 E283	G134-R140 PolarHBondContact O-NH1 2.61Å; G136-R140 PolarHBondContact O-NH2 2.83Å; R140-L275 PolarHBondContact NH2-O 3.5Å; R140-S279 WeakPolarHBondContact CD-O 3.37Å; R140-S279 PolarHBondContact NH1-O 3.14Å; R140-S281 VanDerWaalsContact C-OG 3.25Å; R140-S281 WeakPolarHBondContact CA-OG 3.29Å; R140-E283 IonicContact NH1-OE1 3.73Å
141	P	95.8	Very high	96.3	Very high	24 Å²	24	33.5 Å²	33.5	16%	0.156	19%	0.186	C	C	.	.			trans	-74	169.2	179.9	32.6	-36	0	0	0	111.8	L133 T139 F143 S281	L133-P141 HydrophobicContact CD1-CG 3.94Å; L133-P141 HydrophobicContact CD2-CG 3.9Å; L133-P141 HydrophobicContact CG-CG 3.81Å; T139-P141 VanDerWaalsContact C-CD 3.4Å; T139-P141 WeakPolarHBondContact O-CD 3.49Å; P141-F143 HydrophobicContact CG-CD2 4.21Å; P141-F143 HydrophobicContact CG-CE2 3.85Å; P141-F143 HydrophobicContact CG-CZ 4.4Å; P141-F143 PolarHBondContact O-N 3.4Å; P141-S281 WeakPolarHBondContact O-CB 3.36Å; P141-S281 PolarHBondContact O-OG 2.67Å
142	V	94.9	Very high	96.3	Very high	116 Å²	116	34.8 Å²	34.8	70%	0.703	20%	0.197	S	C	*	.			trans	-78.1	114.7	164.8	-178.5	0	0	0	0	107.9
143	F	95.1	Very high	96.3	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.044	21%	0.211	C	C	.	.			trans	-79	158.2	174.3	-79.5	-101	0	0	0	111.6	L133 P141 Q153 F154 S281 A285	L133-F143 HydrophobicContact CB-CZ 3.98Å; L133-F143 HydrophobicContact CD2-CE1 4.13Å; L133-F143 HydrophobicContact CD2-CE2 4.46Å; L133-F143 HydrophobicContact CD2-CZ 3.71Å; L133-F143 HydrophobicContact CG-CE2 4.24Å; L133-F143 HydrophobicContact CG-CZ 3.7Å; L133-F143 WeakPolarHBondContact O-CZ 3.49Å; P141-F143 HydrophobicContact CG-CD2 4.21Å; P141-F143 HydrophobicContact CG-CE2 3.85Å; P141-F143 HydrophobicContact CG-CZ 4.4Å; P141-F143 PolarHBondContact O-N 3.4Å; F143-Q153 HydrophobicContact CD1-CB 3.86Å; F143-Q153 HydrophobicContact CE1-CB 3.82Å; F143-F154 HydrophobicContact CD1-CE2 4.32Å; F143-F154 HydrophobicContact CE1-CD1 4.22Å; F143-F154 AromaticContact CE1-CD2 3.96Å; F143-F154 HydrophobicContact CE1-CD2 3.96Å; F143-F154 HydrophobicContact CE1-CE1 4.07Å; F143-F154 AromaticContact CE1-CE2 3.77Å; F143-F154 HydrophobicContact CE1-CE2 3.77Å; F143-F154 HydrophobicContact CE1-CG 4.17Å; F143-F154 AromaticContact CE1-CZ 3.82Å; F143-F154 HydrophobicContact CE1-CZ 3.82Å; F143-F154 HydrophobicContact CZ-CD1 4.23Å; F143-F154 AromaticContact CZ-CE1 3.81Å; F143-F154 HydrophobicContact CZ-CE1 3.81Å; F143-F154 HydrophobicContact CZ-CE2 4.23Å; F143-F154 AromaticContact CZ-CZ 3.78Å; F143-F154 HydrophobicContact CZ-CZ 3.78Å; F143-S281 WeakPolarHBondContact CE2-OG 3.06Å; F143-A285 HydrophobicContact CB-CB 3.65Å; F143-A285 HydrophobicContact CD1-CB 3.48Å; F143-A285 VanDerWaalsContact CD1-CB 3.48Å; F143-A285 HydrophobicContact CD2-CB 3.83Å; F143-A285 HydrophobicContact CE1-CB 3.98Å; F143-A285 HydrophobicContact CE2-CB 4.3Å; F143-A285 HydrophobicContact CG-CB 3.39Å; F143-A285 HydrophobicContact CZ-CB 4.35Å
144	S	95.3	Very high	96.3	Very high	38 Å²	38	37.5 Å²	37.5	27%	0.266	21%	0.209	S	C	.	.			trans	-58.8	147.7	165.6	-173.2	0	0	0	0	110.7	D146	S144-D146 VanDerWaalsContact C-N 3.34Å; S144-D146 PolarHBondContact OG-N 3.14Å; S144-D146 VanDerWaalsContact OG-N 3.1Å
145	T	92.6	Very high	96.4	Very high	103 Å²	103	37.8 Å²	37.8	63%	0.632	21%	0.21	S	C	*	.	S	Bend	trans	-88.4	-9.4	169.8	54.2	0	0	0	0	112.4
146	D	96.2	Very high	96.6	Very high	71 Å²	71	40.1 Å²	40.1	38%	0.38	22%	0.221	S	C	.	.	S	Bend	trans	-76.8	128.3	169.7	178	-88.2	0	0	0	109.7	S144 L148 E149 A150	S144-D146 VanDerWaalsContact C-N 3.34Å; S144-D146 PolarHBondContact OG-N 3.14Å; S144-D146 VanDerWaalsContact OG-N 3.1Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-L148 PolarHBondContact O-N 3.42Å; D146-L148 WeakPolarHBondContact OD1-CA 3.31Å; D146-L148 VanDerWaalsContact OD1-CB 3.31Å; D146-L148 WeakPolarHBondContact OD1-CB 3.45Å; D146-L148 PolarHBondContact OD1-N 3.02Å; D146-E149 HydrophobicContact CB-CB 4.2Å; D146-E149 HydrophobicContact CB-CG 4.25Å; D146-E149 PolarHBondContact O-N 2.73Å; D146-E149 PolarHBondContact OD1-N 2.58Å; D146-A150 VanDerWaalsContact O-CB 3.31Å; D146-A150 WeakPolarHBondContact O-CB 3.29Å; D146-A150 PolarHBondContact O-N 3.18Å
147	P	94.5	Very high	96.7	Very high	27 Å²	27	40.2 Å²	40.2	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-33.2	-175.1	24.7	-34.8	0	0	0	114.1	E151 K297	P147-E151 WeakPolarHBondContact O-CB 3.49Å; P147-E151 PolarHBondContact O-N 2.94Å; P147-E151 VanDerWaalsContact O-N 3.14Å; P147-K297 HydrophobicContact CB-CB 4.33Å; P147-K297 HydrophobicContact CB-CD 4.13Å; P147-K297 HydrophobicContact CG-CD 4.04Å
148	L	96.6	Very high	96.8	Very high	82 Å²	82	39.9 Å²	39.9	43%	0.429	22%	0.221	S	C	.	.	H	α-helix	trans	-70.1	-47.3	179.4	171.9	67.4	0	0	0	109.7	D146 E151 A152	D146-L148 VanDerWaalsContact C-N 3.35Å; D146-L148 PolarHBondContact O-N 3.42Å; D146-L148 WeakPolarHBondContact OD1-CA 3.31Å; D146-L148 VanDerWaalsContact OD1-CB 3.31Å; D146-L148 WeakPolarHBondContact OD1-CB 3.45Å; D146-L148 PolarHBondContact OD1-N 3.02Å; L148-E151 PolarHBondContact O-N 2.79Å; L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.14Å
149	E	97.8	Very high	96.9	Very high	102 Å²	102	41 Å²	41	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-40.5	178.4	-66.5	-57	137.4	0	0	112	D146 E151 A152 Q153	D146-E149 HydrophobicContact CB-CB 4.2Å; D146-E149 HydrophobicContact CB-CG 4.25Å; D146-E149 PolarHBondContact O-N 2.73Å; D146-E149 PolarHBondContact OD1-N 2.58Å; E149-E151 PolarHBondContact O-N 3.06Å; E149-A152 WeakPolarHBondContact O-CB 3.41Å; E149-A152 PolarHBondContact O-N 3.48Å; E149-Q153 WeakPolarHBondContact O-CG 3.25Å; E149-Q153 PolarHBondContact O-N 2.72Å
150	A	97.4	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-43.9	176.2	0	0	0	0	0	112	D146 Q153 F154 A285 S288 M289	D146-A150 VanDerWaalsContact O-CB 3.31Å; D146-A150 WeakPolarHBondContact O-CB 3.29Å; D146-A150 PolarHBondContact O-N 3.18Å; A150-Q153 PolarHBondContact O-N 3.43Å; A150-F154 VanDerWaalsContact O-CD2 3.22Å; A150-F154 WeakPolarHBondContact O-CD2 3.3Å; A150-F154 PolarHBondContact O-N 2.84Å; A150-A285 HydrophobicContact CB-CB 4.45Å; A150-S288 VanDerWaalsContact CB-OG 3.28Å; A150-S288 WeakPolarHBondContact CB-OG 3.49Å; A150-M289 HydrophobicContact CB-CG 4.16Å
151	E	98.1	Very high	97.2	Very high	10 Å²	10	39 Å²	39	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-44.4	173.7	-175.8	-179.4	141	0	0	111.3	P147 L148 E149 Q153 F154 V155 F180 L181 S184 M289 R298 R303	P147-E151 WeakPolarHBondContact O-CB 3.49Å; P147-E151 PolarHBondContact O-N 2.94Å; P147-E151 VanDerWaalsContact O-N 3.14Å; L148-E151 PolarHBondContact O-N 2.79Å; E149-E151 PolarHBondContact O-N 3.06Å; E151-Q153 VanDerWaalsContact C-N 3.34Å; E151-Q153 PolarHBondContact O-N 2.8Å; E151-F154 PolarHBondContact O-N 2.94Å; E151-V155 WeakPolarHBondContact O-CG2 3.32Å; E151-V155 PolarHBondContact O-N 3.36Å; E151-F180 HydrophobicContact CG-CE1 3.91Å; E151-F180 WeakPolarHBondContact OE2-CE1 3.41Å; E151-F180 WeakPolarHBondContact OE2-CZ 3.37Å; E151-L181 HydrophobicContact CG-CD2 4.47Å; E151-S184 VanDerWaalsContact OE1-CB 3.29Å; E151-S184 WeakPolarHBondContact OE1-CB 3.34Å; E151-S184 PolarHBondContact OE1-OG 3.43Å; E151-M289 HydrophobicContact CB-SD 3.76Å; E151-M289 HydrophobicContact CG-SD 4.4Å; E151-R298 IonicContact OE1-NH1 3.58Å; E151-R298 PolarHBondContact OE1-NH1 3.01Å; E151-R298 IonicContact OE2-CZ 3.88Å; E151-R298 IonicContact OE2-NH1 2.81Å; E151-R298 PolarHBondContact OE2-NH1 3.28Å; E151-R303 IonicContact OE1-CZ 3.05Å; E151-R303 IonicContact OE1-NH1 3.71Å; E151-R303 PolarHBondContact OE1-NH1 3.28Å; E151-R303 IonicContact OE1-NH2 2.61Å; E151-R303 IonicContact OE2-CZ 3.19Å; E151-R303 IonicContact OE2-NH1 3.62Å; E151-R303 IonicContact OE2-NH2 2.65Å; E151-R303 PolarHBondContact OE2-NH2 2.81Å
152	A	98.3	Very high	97.3	Very high	27 Å²	27	38.8 Å²	38.8	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-41.4	177.6	0	0	0	0	0	111.8	L148 E149 F154 V155 E156	L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.14Å; E149-A152 WeakPolarHBondContact O-CB 3.41Å; E149-A152 PolarHBondContact O-N 3.48Å; A152-F154 VanDerWaalsContact C-N 3.3Å; A152-F154 PolarHBondContact O-N 3.19Å; A152-V155 PolarHBondContact O-N 2.89Å; A152-E156 WeakPolarHBondContact O-CB 3.41Å; A152-E156 VanDerWaalsContact O-CG 3.32Å; A152-E156 WeakPolarHBondContact O-CG 3.4Å; A152-E156 PolarHBondContact O-N 3Å
153	Q	98.3	Very high	97.5	Very high	66 Å²	66	35.9 Å²	35.9	31%	0.308	20%	0.199	S	C	.	.	H	α-helix	trans	-58.8	-40.2	177	-73.2	179.6	-64.3	0	0	112.5	F143 E149 A150 E151 S157	F143-Q153 HydrophobicContact CD1-CB 3.86Å; F143-Q153 HydrophobicContact CE1-CB 3.82Å; E149-Q153 WeakPolarHBondContact O-CG 3.25Å; E149-Q153 PolarHBondContact O-N 2.72Å; A150-Q153 PolarHBondContact O-N 3.43Å; E151-Q153 VanDerWaalsContact C-N 3.34Å; E151-Q153 PolarHBondContact O-N 2.8Å; Q153-S157 WeakPolarHBondContact O-CB 3.23Å; Q153-S157 PolarHBondContact O-N 2.95Å; Q153-S157 VanDerWaalsContact O-N 3.17Å
154	F	98.4	Very high	97.6	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-51.4	172.9	-76.8	-71.3	0	0	0	111.8	L132 L133 F135 F143 A150 E151 A152 E156 S157 I158 L181 A285 M289	L132-F154 HydrophobicContact CB-CE1 4.39Å; L133-F154 HydrophobicContact CB-CD1 4.48Å; L133-F154 WeakPolarHBondContact O-CE1 3.41Å; F135-F154 HydrophobicContact CD2-CE1 4.26Å; F135-F154 AromaticContact CE2-CE1 3.93Å; F135-F154 HydrophobicContact CE2-CE1 3.93Å; F135-F154 AromaticContact CE2-CZ 3.92Å; F135-F154 HydrophobicContact CE2-CZ 3.92Å; F143-F154 HydrophobicContact CD1-CE2 4.32Å; F143-F154 HydrophobicContact CE1-CD1 4.22Å; F143-F154 AromaticContact CE1-CD2 3.96Å; F143-F154 HydrophobicContact CE1-CD2 3.96Å; F143-F154 HydrophobicContact CE1-CE1 4.07Å; F143-F154 AromaticContact CE1-CE2 3.77Å; F143-F154 HydrophobicContact CE1-CE2 3.77Å; F143-F154 HydrophobicContact CE1-CG 4.17Å; F143-F154 AromaticContact CE1-CZ 3.82Å; F143-F154 HydrophobicContact CE1-CZ 3.82Å; F143-F154 HydrophobicContact CZ-CD1 4.23Å; F143-F154 AromaticContact CZ-CE1 3.81Å; F143-F154 HydrophobicContact CZ-CE1 3.81Å; F143-F154 HydrophobicContact CZ-CE2 4.23Å; F143-F154 AromaticContact CZ-CZ 3.78Å; F143-F154 HydrophobicContact CZ-CZ 3.78Å; A150-F154 VanDerWaalsContact O-CD2 3.22Å; A150-F154 WeakPolarHBondContact O-CD2 3.3Å; A150-F154 PolarHBondContact O-N 2.84Å; E151-F154 PolarHBondContact O-N 2.94Å; A152-F154 VanDerWaalsContact C-N 3.3Å; A152-F154 PolarHBondContact O-N 3.19Å; F154-E156 PolarHBondContact O-N 3.45Å; F154-S157 PolarHBondContact O-N 3.02Å; F154-S157 PolarHBondContact O-OG 3.15Å; F154-I158 WeakPolarHBondContact O-CG1 3.11Å; F154-I158 PolarHBondContact O-N 3Å; F154-L181 HydrophobicContact CB-CD1 3.87Å; F154-L181 HydrophobicContact CB-CD2 3.56Å; F154-L181 HydrophobicContact CB-CG 4.35Å; F154-L181 HydrophobicContact CD1-CD1 4Å; F154-L181 HydrophobicContact CD2-CD1 4.49Å; F154-L181 HydrophobicContact CD2-CD2 4.24Å; F154-L181 HydrophobicContact CG-CD1 3.9Å; F154-L181 HydrophobicContact CG-CD2 4.07Å; F154-A285 HydrophobicContact CE2-CB 3.46Å; F154-A285 VanDerWaalsContact CE2-CB 3.46Å; F154-A285 HydrophobicContact CZ-CB 3.73Å; F154-M289 HydrophobicContact CD2-CE 4Å; F154-M289 HydrophobicContact CD2-SD 4.43Å; F154-M289 HydrophobicContact CE2-CE 3.65Å
155	V	98.8	Very high	97.7	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-44	-177.3	170	0	0	0	0	111.7	E151 A152 S157 I158 E159 Y185 K188 Y189	E151-V155 WeakPolarHBondContact O-CG2 3.32Å; E151-V155 PolarHBondContact O-N 3.36Å; A152-V155 PolarHBondContact O-N 2.89Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 3.29Å; V155-I158 PolarHBondContact O-N 3.03Å; V155-E159 PolarHBondContact O-N 3.3Å; V155-Y185 HydrophobicContact CG1-CD2 4.13Å; V155-K188 HydrophobicContact CG1-CB 4.41Å; V155-K188 HydrophobicContact CG1-CD 4.09Å; V155-Y189 HydrophobicContact CG1-CD2 4.31Å; V155-Y189 HydrophobicContact CG1-CE2 3.96Å
156	E	98.7	Very high	97.9	Very high	52 Å²	52	39.8 Å²	39.8	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-38.2	176.8	-70.6	-45.1	103.6	0	0	112.1	A152 F154 I158 E159 Q160 K188 Y189	A152-E156 WeakPolarHBondContact O-CB 3.41Å; A152-E156 VanDerWaalsContact O-CG 3.32Å; A152-E156 WeakPolarHBondContact O-CG 3.4Å; A152-E156 PolarHBondContact O-N 3Å; F154-E156 PolarHBondContact O-N 3.45Å; E156-I158 VanDerWaalsContact C-N 3.26Å; E156-I158 PolarHBondContact O-N 2.8Å; E156-E159 PolarHBondContact O-N 2.87Å; E156-Q160 WeakPolarHBondContact O-CB 3.1Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 3.48Å; E156-K188 VanDerWaalsContact CD-NZ 3.34Å; E156-K188 VanDerWaalsContact OE1-CE 3.25Å; E156-K188 WeakPolarHBondContact OE1-CE 3.33Å; E156-K188 IonicContact OE1-NZ 2.75Å; E156-K188 PolarHBondContact OE1-NZ 2.9Å; E156-K188 IonicContact OE2-NZ 3.92Å; E156-Y189 VanDerWaalsContact CD-OH 3.32Å; E156-Y189 PolarHBondContact OE1-OH 2.88Å; E156-Y189 PolarHBondContact OE2-OH 3.4Å; E156-Y189 VanDerWaalsContact OE2-OH 3.08Å
157	S	98.7	Very high	98	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-37.3	177.1	76	0	0	0	0	111.8	Q153 F154 V155 W161	Q153-S157 WeakPolarHBondContact O-CB 3.23Å; Q153-S157 PolarHBondContact O-N 2.95Å; Q153-S157 VanDerWaalsContact O-N 3.17Å; F154-S157 PolarHBondContact O-N 3.02Å; F154-S157 PolarHBondContact O-OG 3.15Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 3.29Å; S157-W161 VanDerWaalsContact O-CB 3.23Å; S157-W161 WeakPolarHBondContact O-CB 2.97Å; S157-W161 PolarHBondContact O-N 3.35Å
158	I	98.8	Very high	98.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-42.7	176.2	-62.3	163.9	0	0	0	110.5	L104 L132 F154 V155 E156 W161 R162 M170 L181 Y185	L104-I158 HydrophobicContact CD1-CD1 3.97Å; L104-I158 HydrophobicContact CD2-CD1 4.5Å; L132-I158 HydrophobicContact CD2-CD1 4.28Å; F154-I158 WeakPolarHBondContact O-CG1 3.11Å; F154-I158 PolarHBondContact O-N 3Å; V155-I158 PolarHBondContact O-N 3.03Å; E156-I158 VanDerWaalsContact C-N 3.26Å; E156-I158 PolarHBondContact O-N 2.8Å; I158-W161 PolarHBondContact O-N 2.95Å; I158-R162 WeakPolarHBondContact O-CB 3.35Å; I158-R162 PolarHBondContact O-N 3.26Å; I158-M170 HydrophobicContact CG2-CE 4.45Å; I158-L181 HydrophobicContact CD1-CB 4.43Å; I158-Y185 HydrophobicContact CB-CD2 4.05Å; I158-Y185 HydrophobicContact CB-CE2 4.31Å; I158-Y185 HydrophobicContact CG2-CD2 3.77Å; I158-Y185 HydrophobicContact CG2-CE2 3.84Å; I158-Y185 HydrophobicContact CG2-CG 4.43Å
159	E	98.8	Very high	98.2	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.121	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-44.1	178	175.5	53.3	-162.6	0	0	112.3	V155 E156 W161 R162 A163 Y185 Y189	V155-E159 PolarHBondContact O-N 3.3Å; E156-E159 PolarHBondContact O-N 2.87Å; E159-W161 VanDerWaalsContact C-N 3.31Å; E159-W161 PolarHBondContact O-N 2.91Å; E159-R162 PolarHBondContact O-N 2.82Å; E159-R162 IonicContact OE1-CZ 3.54Å; E159-R162 IonicContact OE1-NE 2.77Å; E159-R162 PolarHBondContact OE1-NE 2.81Å; E159-R162 IonicContact OE1-NH2 3.18Å; E159-R162 PolarHBondContact OE1-NH2 3.22Å; E159-R162 IonicContact OE2-CZ 2.73Å; E159-R162 IonicContact OE2-NE 3.41Å; E159-R162 PolarHBondContact OE2-NE 2.88Å; E159-R162 IonicContact OE2-NH2 3.27Å; E159-A163 WeakPolarHBondContact O-CB 3.24Å; E159-A163 PolarHBondContact O-N 2.83Å; E159-Y185 HydrophobicContact CB-CE2 3.85Å; E159-Y185 PolarHBondContact OE2-OH 3.06Å; E159-Y189 HydrophobicContact CB-CD2 4.16Å; E159-Y189 HydrophobicContact CB-CE2 3.68Å; E159-Y189 HydrophobicContact CG-CD1 4.32Å; E159-Y189 HydrophobicContact CG-CD2 4.36Å; E159-Y189 HydrophobicContact CG-CE1 3.87Å; E159-Y189 HydrophobicContact CG-CE2 3.93Å
160	Q	98.6	Very high	98.2	Very high	53 Å²	53	34.8 Å²	34.8	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-40.9	178.4	-69.6	168.5	15.2	0	0	110.9	V79 S80 E156 K164	V79-Q160 HydrophobicContact CB-CB 4.02Å; V79-Q160 HydrophobicContact CG1-CB 3.82Å; S80-Q160 VanDerWaalsContact OG-CD 3.31Å; S80-Q160 PolarHBondContact OG-NE2 2.75Å; S80-Q160 VanDerWaalsContact OG-NE2 3.09Å; S80-Q160 PolarHBondContact OG-OE1 3.19Å; E156-Q160 WeakPolarHBondContact O-CB 3.1Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 3.48Å; Q160-K164 VanDerWaalsContact O-CB 3.3Å; Q160-K164 WeakPolarHBondContact O-CB 3.48Å; Q160-K164 PolarHBondContact O-N 2.87Å
161	W	98.8	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-51.8	171.7	168.6	88.4	0	0	0	111.7	V77 V79 L85 T87 V102 Y128 L130 S157 I158 E159 A163 K164 V165 M170	V77-W161 HydrophobicContact CG1-CG 4.43Å; V79-W161 HydrophobicContact CG1-CB 4.21Å; L85-W161 HydrophobicContact CD1-CB 3.82Å; L85-W161 HydrophobicContact CD1-CG 4.24Å; T87-W161 HydrophobicContact CG2-CZ2 4.13Å; T87-W161 PolarHBondContact OG1-NE1 2.65Å; V102-W161 HydrophobicContact CG1-CH2 3.99Å; V102-W161 HydrophobicContact CG1-CZ3 3.91Å; V102-W161 HydrophobicContact CG2-CH2 3.78Å; V102-W161 HydrophobicContact CG2-CZ3 3.91Å; Y128-W161 HydrophobicContact CD1-CH2 4.26Å; Y128-W161 AromaticContact CD1-CZ2 3.84Å; Y128-W161 HydrophobicContact CD1-CZ2 3.84Å; Y128-W161 HydrophobicContact CD2-CH2 4.38Å; Y128-W161 AromaticContact CG-CH2 3.84Å; Y128-W161 HydrophobicContact CG-CH2 3.84Å; Y128-W161 AromaticContact CG-CZ2 3.85Å; Y128-W161 HydrophobicContact CG-CZ2 3.85Å; L130-W161 HydrophobicContact CD1-CD2 3.49Å; L130-W161 VanDerWaalsContact CD1-CD2 3.49Å; L130-W161 HydrophobicContact CD1-CE3 3.54Å; L130-W161 HydrophobicContact CD1-CG 4.07Å; L130-W161 HydrophobicContact CD1-CH2 4.06Å; L130-W161 HydrophobicContact CD1-CZ2 4.01Å; L130-W161 HydrophobicContact CD1-CZ3 3.83Å; L130-W161 HydrophobicContact CD2-CD2 3.88Å; L130-W161 HydrophobicContact CD2-CG 4.27Å; L130-W161 HydrophobicContact CD2-CH2 4.29Å; L130-W161 HydrophobicContact CD2-CZ2 3.49Å; L130-W161 VanDerWaalsContact CD2-CZ2 3.49Å; L130-W161 HydrophobicContact CG-CD2 4.31Å; L130-W161 HydrophobicContact CG-CZ2 4.16Å; S157-W161 VanDerWaalsContact O-CB 3.23Å; S157-W161 WeakPolarHBondContact O-CB 2.97Å; S157-W161 PolarHBondContact O-N 3.35Å; I158-W161 PolarHBondContact O-N 2.95Å; E159-W161 VanDerWaalsContact C-N 3.31Å; E159-W161 PolarHBondContact O-N 2.91Å; W161-A163 VanDerWaalsContact C-N 3.31Å; W161-A163 PolarHBondContact O-N 3.19Å; W161-K164 PolarHBondContact O-N 3.21Å; W161-V165 HydrophobicContact CD2-CG2 4.26Å; W161-V165 HydrophobicContact CG-CG2 4.46Å; W161-V165 HydrophobicContact CZ2-CB 4.38Å; W161-V165 HydrophobicContact CZ2-CG1 4.45Å; W161-V165 HydrophobicContact CZ2-CG2 3.87Å; W161-V165 WeakPolarHBondContact O-CG2 3.42Å; W161-V165 PolarHBondContact O-N 2.94Å; W161-M170 HydrophobicContact CZ3-SD 4.31Å
162	R	98.7	Very high	98.3	Very high	21 Å²	21	34.3 Å²	34.3	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-55.8	-48.6	-179.9	-179.4	-140.6	56.7	84.7	0.7	110.7	I158 E159 K164 V165 G166 V167 M170 Y185	I158-R162 WeakPolarHBondContact O-CB 3.35Å; I158-R162 PolarHBondContact O-N 3.26Å; E159-R162 PolarHBondContact O-N 2.82Å; E159-R162 IonicContact OE1-CZ 3.54Å; E159-R162 IonicContact OE1-NE 2.77Å; E159-R162 PolarHBondContact OE1-NE 2.81Å; E159-R162 IonicContact OE1-NH2 3.18Å; E159-R162 PolarHBondContact OE1-NH2 3.22Å; E159-R162 IonicContact OE2-CZ 2.73Å; E159-R162 IonicContact OE2-NE 3.41Å; E159-R162 PolarHBondContact OE2-NE 2.88Å; E159-R162 IonicContact OE2-NH2 3.27Å; R162-K164 VanDerWaalsContact C-N 3.29Å; R162-K164 PolarHBondContact O-N 2.97Å; R162-V165 PolarHBondContact O-N 2.8Å; R162-G166 PolarHBondContact O-N 3.25Å; R162-V167 WeakPolarHBondContact CD-O 3.4Å; R162-V167 HydrophobicContact CG-CB 3.91Å; R162-V167 HydrophobicContact CG-CG1 4.21Å; R162-V167 WeakPolarHBondContact CG-O 3.46Å; R162-V167 PolarHBondContact NH1-O 2.83Å; R162-V167 PolarHBondContact O-N 3.29Å; R162-M170 HydrophobicContact CB-CE 4.25Å; R162-M170 HydrophobicContact CG-CE 4.02Å; R162-M170 HydrophobicContact CG-SD 4.26Å; R162-Y185 WeakPolarHBondContact CD-OH 3.49Å
163	A	98.5	Very high	98.4	Very high	54 Å²	54	33 Å²	33	45%	0.446	18%	0.183	S	C	.	.	H	α-helix	trans	-60.7	-38.7	178.5	0	0	0	0	0	112.2	E159 W161 G166	E159-A163 WeakPolarHBondContact O-CB 3.24Å; E159-A163 PolarHBondContact O-N 2.83Å; W161-A163 VanDerWaalsContact C-N 3.31Å; W161-A163 PolarHBondContact O-N 3.19Å; A163-G166 PolarHBondContact O-N 2.97Å
164	K	98.3	Very high	98.4	Very high	135 Å²	135	29.9 Å²	29.9	59%	0.587	17%	0.168	S	C	*	.	H	α-helix	trans	-72.9	-39.8	-178.8	-173.4	64	-180	-176.7	0	113	V77 P78 Q160 W161 R162 G166	V77-K164 HydrophobicContact CG1-CB 3.72Å; V77-K164 HydrophobicContact CG1-CG 3.57Å; P78-K164 HydrophobicContact CG-CD 4.4Å; P78-K164 HydrophobicContact CG-CG 4.34Å; Q160-K164 VanDerWaalsContact O-CB 3.3Å; Q160-K164 WeakPolarHBondContact O-CB 3.48Å; Q160-K164 PolarHBondContact O-N 2.87Å; W161-K164 PolarHBondContact O-N 3.21Å; R162-K164 VanDerWaalsContact C-N 3.29Å; R162-K164 PolarHBondContact O-N 2.97Å; K164-G166 VanDerWaalsContact C-N 3.26Å
165	V	97.4	Very high	98.3	Very high	39 Å²	39	30 Å²	30	24%	0.236	17%	0.168	C	C	.	.	H	α-helix	trans	-72.2	-24.3	175.3	177.5	0	0	0	0	111.3	V77 Y128 W161 R162 V167	V77-V165 HydrophobicContact CG1-CG2 4.09Å; V77-V165 HydrophobicContact CG2-CG2 3.95Å; Y128-V165 HydrophobicContact CD1-CG1 4.16Å; Y128-V165 HydrophobicContact CE1-CG1 3.49Å; Y128-V165 VanDerWaalsContact CE1-CG1 3.49Å; W161-V165 HydrophobicContact CD2-CG2 4.26Å; W161-V165 HydrophobicContact CG-CG2 4.46Å; W161-V165 HydrophobicContact CZ2-CB 4.38Å; W161-V165 HydrophobicContact CZ2-CG1 4.45Å; W161-V165 HydrophobicContact CZ2-CG2 3.87Å; W161-V165 WeakPolarHBondContact O-CG2 3.42Å; W161-V165 PolarHBondContact O-N 2.94Å; R162-V165 PolarHBondContact O-N 2.8Å; V165-V167 HydrophobicContact CB-CG2 4.48Å; V165-V167 HydrophobicContact CG1-CG2 3.93Å
166	G	97.1	Very high	98.1	Very high	59 Å²	59	30.7 Å²	30.7	61%	0.608	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.7	21.5	178.2	0	0	0	0	0	113.9	R162 A163 K164 E168	R162-G166 PolarHBondContact O-N 3.25Å; A163-G166 PolarHBondContact O-N 2.97Å; K164-G166 VanDerWaalsContact C-N 3.26Å; G166-E168 PolarHBondContact O-N 3.34Å
167	V	97.3	Very high	98	Very high	8 Å²	8	28.2 Å²	28.2	5%	0.048	16%	0.161	C	C	.	.			trans	-77	110.7	176.5	170.9	0	0	0	0	109.5	P100 Y128 R162 V165 S169 M170	P100-V167 HydrophobicContact CG-CG1 3.62Å; P100-V167 HydrophobicContact CG-CG2 4.48Å; Y128-V167 HydrophobicContact CD2-CG2 4.25Å; Y128-V167 HydrophobicContact CE2-CG2 3.75Å; R162-V167 WeakPolarHBondContact CD-O 3.4Å; R162-V167 HydrophobicContact CG-CB 3.91Å; R162-V167 HydrophobicContact CG-CG1 4.21Å; R162-V167 WeakPolarHBondContact CG-O 3.46Å; R162-V167 PolarHBondContact NH1-O 2.83Å; R162-V167 PolarHBondContact O-N 3.29Å; V165-V167 HydrophobicContact CB-CG2 4.48Å; V165-V167 HydrophobicContact CG1-CG2 3.93Å; V167-S169 WeakPolarHBondContact CG1-O 3.42Å; V167-M170 HydrophobicContact CG1-CB 3.92Å; V167-M170 HydrophobicContact CG1-CG 4.42Å; V167-M170 HydrophobicContact CG1-SD 4.34Å
168	E	97.3	Very high	98	Very high	147 Å²	147	28 Å²	28	69%	0.687	16%	0.159	S	C	*	.			trans	-67.8	-46.7	-176	-173.2	-177.5	173.4	0	0	113.1	G166 R192	G166-E168 PolarHBondContact O-N 3.34Å; E168-R192 WeakPolarHBondContact O-CD 3.43Å; E168-R192 PolarHBondContact O-NH1 3.06Å; E168-R192 VanDerWaalsContact O-NH1 3.14Å
169	S	97.7	Very high	97.9	Very high	22 Å²	22	28 Å²	28	15%	0.154	16%	0.159	C	C	.	.	S	Bend	trans	-149.9	157.4	175.7	67.6	0	0	0	0	110.1	P100 V167 R192 K194	P100-S169 WeakPolarHBondContact CD-O 3.25Å; P100-S169 WeakPolarHBondContact CG-O 3.41Å; V167-S169 WeakPolarHBondContact CG1-O 3.42Å; S169-R192 CarbonylContact C-O 3.54Å; S169-R192 VanDerWaalsContact CA-O 3.24Å; S169-R192 WeakPolarHBondContact CA-O 3.5Å; S169-K194 WeakPolarHBondContact OG-CE 3.41Å
170	M	98.7	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.1	-169	52.4	-171.8	172.7	0	0	113.3	P100 V102 I158 W161 R162 V167 I172 Y185 R192 V193 K194	P100-M170 HydrophobicContact CG-CB 4.36Å; P100-M170 WeakPolarHBondContact O-CA 3.42Å; V102-M170 HydrophobicContact CB-SD 4Å; V102-M170 HydrophobicContact CG2-CB 3.98Å; V102-M170 HydrophobicContact CG2-CG 4.25Å; V102-M170 HydrophobicContact CG2-SD 3.38Å; V102-M170 WeakPolarHBondContact CG2-SD 3.47Å; I158-M170 HydrophobicContact CG2-CE 4.45Å; W161-M170 HydrophobicContact CZ3-SD 4.31Å; R162-M170 HydrophobicContact CB-CE 4.25Å; R162-M170 HydrophobicContact CG-CE 4.02Å; R162-M170 HydrophobicContact CG-SD 4.26Å; V167-M170 HydrophobicContact CG1-CB 3.92Å; V167-M170 HydrophobicContact CG1-CG 4.42Å; V167-M170 HydrophobicContact CG1-SD 4.34Å; M170-I172 HydrophobicContact CE-CD1 3.88Å; M170-I172 HydrophobicContact CE-CG1 4.19Å; M170-I172 HydrophobicContact CG-CD1 4.47Å; M170-I172 HydrophobicContact CG-CG1 3.92Å; M170-I172 HydrophobicContact SD-CG1 4.23Å; M170-Y185 HydrophobicContact CE-CD1 4.26Å; M170-Y185 HydrophobicContact CE-CE1 3.41Å; M170-Y185 VanDerWaalsContact CE-CE1 3.41Å; M170-Y185 HydrophobicContact CE-CE2 4.27Å; M170-Y185 VanDerWaalsContact CE-CZ 3.44Å; M170-Y185 WeakPolarHBondContact CE-OH 3.29Å; M170-R192 PolarHBondContact N-O 3.19Å; M170-V193 WeakPolarHBondContact O-CA 3.32Å; M170-K194 PolarHBondContact O-N 3.02Å
171	I	98.9	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130	158	-60.7	168.9	0	0	0	106.8	T99 P100 I101 V102 H195 V197 C368 V371	T99-I171 HydrophobicContact CG2-CD1 4.41Å; T99-I171 HydrophobicContact CG2-CG1 3.98Å; P100-I171 PolarHBondContact O-N 2.87Å; I101-I171 CarbonylContact C-O 3.54Å; I101-I171 WeakPolarHBondContact CA-O 3.48Å; I101-I171 HydrophobicContact CB-CB 4.25Å; I101-I171 HydrophobicContact CD1-CG2 4.15Å; I101-I171 HydrophobicContact CG1-CB 4.16Å; I101-I171 HydrophobicContact CG1-CG2 3.98Å; V102-I171 PolarHBondContact N-O 3.45Å; I171-H195 WeakPolarHBondContact CA-O 3.5Å; I171-H195 HydrophobicContact CG1-CB 4.13Å; I171-H195 HydrophobicContact CG2-CB 4.19Å; I171-V197 HydrophobicContact CG2-CG2 4.02Å; I171-C368 HydrophobicContact CD1-CB 4.09Å; I171-V371 HydrophobicContact CD1-CB 3.92Å; I171-V371 HydrophobicContact CD1-CG1 4Å; I171-V371 HydrophobicContact CD1-CG2 3.78Å; I171-V371 HydrophobicContact CG1-CB 4.38Å; I171-V371 HydrophobicContact CG1-CG1 3.98Å; I171-V371 HydrophobicContact CG1-CG2 4.13Å
172	I	98.9	Very high	97.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.1	175.9	-51.2	177.6	0	0	0	108.7	L104 M170 A182 Y185 V193 H195 L196 V197	L104-I172 HydrophobicContact CD1-CG2 3.63Å; L104-I172 HydrophobicContact CG-CG2 4.01Å; M170-I172 HydrophobicContact CE-CD1 3.88Å; M170-I172 HydrophobicContact CE-CG1 4.19Å; M170-I172 HydrophobicContact CG-CD1 4.47Å; M170-I172 HydrophobicContact CG-CG1 3.92Å; M170-I172 HydrophobicContact SD-CG1 4.23Å; I172-A182 HydrophobicContact CB-CB 4.24Å; I172-A182 HydrophobicContact CG2-CB 3.53Å; I172-Y185 HydrophobicContact CD1-CD1 3.36Å; I172-Y185 HydrophobicContact CD1-CE1 3.8Å; I172-Y185 HydrophobicContact CD1-CG 4.19Å; I172-V193 HydrophobicContact CD1-CG1 4.42Å; I172-V193 HydrophobicContact CD1-CG2 3.69Å; I172-V193 HydrophobicContact CG1-CG1 4.49Å; I172-V193 HydrophobicContact CG1-CG2 4.44Å; I172-H195 PolarHBondContact N-O 2.92Å; I172-L196 HydrophobicContact CB-CD2 4.23Å; I172-V197 PolarHBondContact O-N 3.41Å
173	L	98.9	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.7	170.3	-172.8	159.8	0	0	0	109.2	I101 V102 L103 L104 W114 V197 V199 F360 V364	I101-L173 HydrophobicContact CD1-CB 4.02Å; I101-L173 HydrophobicContact CD1-CD1 4.04Å; I101-L173 HydrophobicContact CG1-CB 4.24Å; V102-L173 PolarHBondContact O-N 2.81Å; L103-L173 WeakPolarHBondContact CA-O 3.21Å; L103-L173 HydrophobicContact CD2-CB 3.83Å; L103-L173 HydrophobicContact CD2-CD1 4.14Å; L103-L173 HydrophobicContact CD2-CD2 4.3Å; L103-L173 HydrophobicContact CD2-CG 4.31Å; L104-L173 PolarHBondContact N-O 2.61Å; W114-L173 HydrophobicContact CH2-CD2 3.38Å; W114-L173 HydrophobicContact CZ2-CD2 4.03Å; W114-L173 HydrophobicContact CZ3-CD2 3.92Å; L173-V197 CarbonylContact C-O 3.59Å; L173-V197 VanDerWaalsContact CA-O 3.26Å; L173-V197 WeakPolarHBondContact CA-O 3.41Å; L173-V197 HydrophobicContact CB-CB 4.02Å; L173-V197 HydrophobicContact CD1-CB 4.27Å; L173-V197 HydrophobicContact CD1-CG1 3.91Å; L173-V197 HydrophobicContact CG-CB 3.93Å; L173-V197 HydrophobicContact CG-CG1 3.87Å; L173-V199 HydrophobicContact CD2-CG2 3.85Å; L173-V199 HydrophobicContact CG-CG2 4.12Å; L173-F360 HydrophobicContact CD1-CE1 4.39Å; L173-F360 HydrophobicContact CD1-CZ 3.97Å; L173-F360 HydrophobicContact CD2-CZ 4.42Å; L173-V364 HydrophobicContact CD1-CB 4.48Å; L173-V364 HydrophobicContact CD1-CG1 3.83Å; L173-V364 HydrophobicContact CD1-CG2 3.74Å
174	G	98.6	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.8	-177.4	0	0	0	0	0	112.3	G178 G179 V197 V199	G174-G178 VanDerWaalsContact CA-C 3.41Å; G174-G179 VanDerWaalsContact C-N 3.3Å; G174-G179 WeakPolarHBondContact O-CA 3.36Å; G174-V197 PolarHBondContact N-O 2.95Å; G174-V199 PolarHBondContact O-N 2.83Å
175	H	97.9	Very high	97.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.9	171	175.4	-118.1	0	0	0	111.4	L104 H105 G106 W114 L177 G178 V199 H350 Y351 F353	L104-H175 PolarHBondContact O-N 2.87Å; H105-H175 CarbonylContact C-O 3.53Å; G106-H175 WeakPolarHBondContact CA-O 3.27Å; G106-H175 PolarHBondContact N-O 3.44Å; W114-H175 HydrophobicContact CH2-CB 3.92Å; W114-H175 HydrophobicContact CZ2-CB 4.14Å; H175-L177 PolarHBondContact O-N 3.14Å; H175-G178 WeakPolarHBondContact O-CA 3.46Å; H175-G178 PolarHBondContact O-N 3.1Å; H175-V199 CarbonylContact C-O 3.43Å; H175-V199 VanDerWaalsContact CA-O 3.27Å; H175-V199 WeakPolarHBondContact CA-O 3.11Å; H175-V199 HydrophobicContact CB-CB 4.48Å; H175-V199 PolarHBondContact CD2-O 3.18Å; H175-H350 AromaticContact CE1-CD2 3.93Å; H175-H350 AromaticContact CE1-NE2 3.59Å; H175-H350 AromaticContact NE2-CD2 3.81Å; H175-H350 AromaticContact NE2-CE1 3.89Å; H175-H350 AromaticContact NE2-NE2 3.53Å; H175-H350 PolarHBondContact NE2-O 2.84Å; H175-Y351 AromaticContact CE1-CD1 3.64Å; H175-Y351 AromaticContact CE1-CE1 3.52Å; H175-F353 HydrophobicContact CB-CE1 4.08Å; H175-F353 AromaticContact CD2-CE1 3.73Å; H175-F353 AromaticContact CG-CE1 3.6Å; H175-F353 AromaticContact ND1-CE1 3.8Å; H175-F353 AromaticContact NE2-CE1 3.98Å
176	N	94.1	Very high	98	Very high	21 Å²	21	12.8 Å²	12.8	11%	0.112	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-110.3	172.2	-177.5	-11.5	0	0	0	112.2	G178 G179 F180 V199 E200 W202 H350	N176-G178 VanDerWaalsContact C-N 3.31Å; N176-G178 PolarHBondContact O-N 3.43Å; N176-G179 WeakPolarHBondContact O-CA 3.47Å; N176-G179 PolarHBondContact O-N 3.08Å; N176-F180 PolarHBondContact O-N 3.34Å; N176-F180 VanDerWaalsContact O-N 3.15Å; N176-V199 PolarHBondContact N-O 3.43Å; N176-E200 WeakPolarHBondContact CA-O 3.47Å; N176-E200 PolarHBondContact N-O 2.66Å; N176-W202 PolarHBondContact O-N 2.69Å; N176-W202 VanDerWaalsContact O-N 3.17Å; N176-W202 WeakPolarHBondContact OD1-CB 3.48Å; N176-H350 PolarHBondContact ND2-NE2 3.32Å
177	L	96.3	Very high	98	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60	-40.6	174.4	175.3	58.2	0	0	0	111.6	F107 F135 H175 G179 F180 L181 F286 M289	F107-L177 HydrophobicContact CB-CB 4.41Å; F107-L177 HydrophobicContact CB-CD2 4.47Å; F135-L177 HydrophobicContact CE2-CD2 4.06Å; F135-L177 HydrophobicContact CZ-CD2 4.17Å; H175-L177 PolarHBondContact O-N 3.14Å; L177-G179 PolarHBondContact O-N 2.62Å; L177-F180 WeakPolarHBondContact O-CB 3.47Å; L177-F180 PolarHBondContact O-N 3.24Å; L177-L181 HydrophobicContact CD1-CD1 4.2Å; L177-L181 HydrophobicContact CD1-CG 4.12Å; L177-L181 HydrophobicContact CG-CD1 4.04Å; L177-L181 HydrophobicContact CG-CG 4.4Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 3.38Å; L177-F286 HydrophobicContact CB-CE2 4.39Å; L177-F286 HydrophobicContact CD1-CD2 3.73Å; L177-F286 HydrophobicContact CD1-CE2 3.96Å; L177-F286 HydrophobicContact CD2-CD2 3.78Å; L177-F286 HydrophobicContact CD2-CE2 4.42Å; L177-F286 HydrophobicContact CD2-CG 4.48Å; L177-F286 HydrophobicContact CG-CD2 4.22Å; L177-F286 HydrophobicContact CG-CE2 4.48Å; L177-M289 HydrophobicContact CD1-CE 3.98Å
178	G	98.3	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-32.3	173.5	0	0	0	0	0	112.2	H105 G174 H175 N176 A182	H105-G178 PolarHBondContact O-N 2.99Å; G174-G178 VanDerWaalsContact CA-C 3.41Å; H175-G178 WeakPolarHBondContact O-CA 3.46Å; H175-G178 PolarHBondContact O-N 3.1Å; N176-G178 VanDerWaalsContact C-N 3.31Å; N176-G178 PolarHBondContact O-N 3.43Å; G178-A182 VanDerWaalsContact O-CB 3.25Å; G178-A182 WeakPolarHBondContact O-CB 3.21Å; G178-A182 PolarHBondContact O-N 2.81Å
179	G	97.8	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.5	-43.6	174.4	0	0	0	0	0	112.7	G174 N176 L177 A182 V183	G174-G179 VanDerWaalsContact C-N 3.3Å; G174-G179 WeakPolarHBondContact O-CA 3.36Å; N176-G179 WeakPolarHBondContact O-CA 3.47Å; N176-G179 PolarHBondContact O-N 3.08Å; L177-G179 PolarHBondContact O-N 2.62Å; G179-A182 PolarHBondContact O-N 3.46Å; G179-V183 PolarHBondContact O-N 2.9Å
180	F	97.5	Very high	98.2	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	6%	0.062	C	C	.	.	H	α-helix	trans	-58.1	-50.1	172.4	179.4	-93.5	0	0	0	111.3	E151 N176 L177 A182 V183 S184 W202 M289 A296 R298 M300 R303	E151-F180 HydrophobicContact CG-CE1 3.91Å; E151-F180 WeakPolarHBondContact OE2-CE1 3.41Å; E151-F180 WeakPolarHBondContact OE2-CZ 3.37Å; N176-F180 PolarHBondContact O-N 3.34Å; N176-F180 VanDerWaalsContact O-N 3.15Å; L177-F180 WeakPolarHBondContact O-CB 3.47Å; L177-F180 PolarHBondContact O-N 3.24Å; F180-A182 VanDerWaalsContact C-N 3.33Å; F180-A182 PolarHBondContact O-N 3.35Å; F180-V183 PolarHBondContact O-N 3.43Å; F180-S184 PolarHBondContact O-N 3.21Å; F180-S184 PolarHBondContact O-OG 2.87Å; F180-W202 HydrophobicContact CB-CE3 4.27Å; F180-W202 WeakPolarHBondContact CB-O 3.36Å; F180-W202 HydrophobicContact CD1-CZ3 4.46Å; F180-W202 HydrophobicContact CD2-CE3 4.18Å; F180-W202 HydrophobicContact CD2-CZ3 4.2Å; F180-W202 HydrophobicContact CE2-CZ3 4.34Å; F180-W202 HydrophobicContact CG-CE3 4.17Å; F180-W202 HydrophobicContact CG-CZ3 4.25Å; F180-M289 HydrophobicContact CE1-SD 4.46Å; F180-A296 HydrophobicContact CE2-CB 4.22Å; F180-R298 WeakPolarHBondContact CE2-O 3.36Å; F180-M300 HydrophobicContact CD2-CE 3.7Å; F180-M300 HydrophobicContact CE2-CE 3.79Å; F180-M300 HydrophobicContact CG-CE 4.14Å; F180-M300 HydrophobicContact CZ-CE 4.29Å; F180-M300 WeakPolarHBondContact O-CE 3.49Å; F180-R303 VanDerWaalsContact CE2-NH2 3.32Å
181	L	98.7	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66	-33.7	-179.6	-66.6	175	0	0	0	112.6	L132 E151 F154 I158 L177 V183 S184 Y185	L132-L181 HydrophobicContact CD1-CD1 3.88Å; L132-L181 HydrophobicContact CD2-CD1 4.14Å; E151-L181 HydrophobicContact CG-CD2 4.47Å; F154-L181 HydrophobicContact CB-CD1 3.87Å; F154-L181 HydrophobicContact CB-CD2 3.56Å; F154-L181 HydrophobicContact CB-CG 4.35Å; F154-L181 HydrophobicContact CD1-CD1 4Å; F154-L181 HydrophobicContact CD2-CD1 4.49Å; F154-L181 HydrophobicContact CD2-CD2 4.24Å; F154-L181 HydrophobicContact CG-CD1 3.9Å; F154-L181 HydrophobicContact CG-CD2 4.07Å; I158-L181 HydrophobicContact CD1-CB 4.43Å; L177-L181 HydrophobicContact CD1-CD1 4.2Å; L177-L181 HydrophobicContact CD1-CG 4.12Å; L177-L181 HydrophobicContact CG-CD1 4.04Å; L177-L181 HydrophobicContact CG-CG 4.4Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 3.38Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 2.87Å; L181-S184 PolarHBondContact O-N 3.06Å; L181-Y185 VanDerWaalsContact O-CB 3.23Å; L181-Y185 WeakPolarHBondContact O-CB 3.45Å; L181-Y185 PolarHBondContact O-N 3.43Å
182	A	98.8	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.4	-43.2	175.4	0	0	0	0	0	111.7	L104 I172 G178 G179 F180 A186 L196 L198	L104-A182 HydrophobicContact CD1-CB 4.37Å; I172-A182 HydrophobicContact CB-CB 4.24Å; I172-A182 HydrophobicContact CG2-CB 3.53Å; G178-A182 VanDerWaalsContact O-CB 3.25Å; G178-A182 WeakPolarHBondContact O-CB 3.21Å; G178-A182 PolarHBondContact O-N 2.81Å; G179-A182 PolarHBondContact O-N 3.46Å; F180-A182 VanDerWaalsContact C-N 3.33Å; F180-A182 PolarHBondContact O-N 3.35Å; A182-A186 WeakPolarHBondContact O-CB 3.1Å; A182-A186 PolarHBondContact O-N 3.45Å; A182-L196 HydrophobicContact CB-CD2 3.95Å; A182-L198 HydrophobicContact CB-CD2 4.22Å
183	V	98.6	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.8	-43.8	176.2	-174.9	0	0	0	0	111.4	G179 F180 L181 Y185 A186 I187 L196 L198 F204 M300 L304 L307	G179-V183 PolarHBondContact O-N 2.9Å; F180-V183 PolarHBondContact O-N 3.43Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 2.87Å; V183-Y185 VanDerWaalsContact C-N 3.25Å; V183-Y185 PolarHBondContact O-N 3.19Å; V183-A186 PolarHBondContact O-N 3.22Å; V183-A186 VanDerWaalsContact O-N 3.13Å; V183-I187 HydrophobicContact CG1-CD1 4.11Å; V183-I187 HydrophobicContact CG1-CG1 4.43Å; V183-I187 WeakPolarHBondContact O-CG1 3.33Å; V183-I187 PolarHBondContact O-N 3.05Å; V183-L196 HydrophobicContact CG2-CD1 4.2Å; V183-L198 HydrophobicContact CG2-CD1 3.75Å; V183-L198 HydrophobicContact CG2-CD2 3.82Å; V183-L198 HydrophobicContact CG2-CG 4.43Å; V183-F204 HydrophobicContact CG2-CZ 3.76Å; V183-M300 HydrophobicContact CB-CE 3.86Å; V183-M300 HydrophobicContact CB-CG 4.14Å; V183-M300 HydrophobicContact CB-SD 3.83Å; V183-M300 HydrophobicContact CG1-CE 4.12Å; V183-M300 HydrophobicContact CG1-CG 3.8Å; V183-M300 HydrophobicContact CG1-SD 3.39Å; V183-M300 WeakPolarHBondContact CG1-SD 3.47Å; V183-L304 HydrophobicContact CG1-CD1 4.22Å; V183-L307 HydrophobicContact CG1-CD2 4.38Å
184	S	98.7	Very high	98.2	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-56.5	-40.9	174.3	-66.7	0	0	0	0	112.4	E151 F180 L181 K188 M300	E151-S184 VanDerWaalsContact OE1-CB 3.29Å; E151-S184 WeakPolarHBondContact OE1-CB 3.34Å; E151-S184 PolarHBondContact OE1-OG 3.43Å; F180-S184 PolarHBondContact O-N 3.21Å; F180-S184 PolarHBondContact O-OG 2.87Å; L181-S184 PolarHBondContact O-N 3.06Å; S184-K188 PolarHBondContact O-N 2.94Å; S184-M300 WeakPolarHBondContact OG-CE 3.48Å
185	Y	98.9	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-47	175	178.5	-86.2	0	0	0	111.4	V155 I158 E159 R162 M170 I172 L181 V183 I187 K188 Y189 R192 V193	V155-Y185 HydrophobicContact CG1-CD2 4.13Å; I158-Y185 HydrophobicContact CB-CD2 4.05Å; I158-Y185 HydrophobicContact CB-CE2 4.31Å; I158-Y185 HydrophobicContact CG2-CD2 3.77Å; I158-Y185 HydrophobicContact CG2-CE2 3.84Å; I158-Y185 HydrophobicContact CG2-CG 4.43Å; E159-Y185 HydrophobicContact CB-CE2 3.85Å; E159-Y185 PolarHBondContact OE2-OH 3.06Å; R162-Y185 WeakPolarHBondContact CD-OH 3.49Å; M170-Y185 HydrophobicContact CE-CD1 4.26Å; M170-Y185 HydrophobicContact CE-CE1 3.41Å; M170-Y185 VanDerWaalsContact CE-CE1 3.41Å; M170-Y185 HydrophobicContact CE-CE2 4.27Å; M170-Y185 VanDerWaalsContact CE-CZ 3.44Å; M170-Y185 WeakPolarHBondContact CE-OH 3.29Å; I172-Y185 HydrophobicContact CD1-CD1 3.36Å; I172-Y185 HydrophobicContact CD1-CE1 3.8Å; I172-Y185 HydrophobicContact CD1-CG 4.19Å; L181-Y185 VanDerWaalsContact O-CB 3.23Å; L181-Y185 WeakPolarHBondContact O-CB 3.45Å; L181-Y185 PolarHBondContact O-N 3.43Å; V183-Y185 VanDerWaalsContact C-N 3.25Å; V183-Y185 PolarHBondContact O-N 3.19Å; Y185-I187 VanDerWaalsContact C-N 3.32Å; Y185-I187 PolarHBondContact O-N 2.58Å; Y185-K188 PolarHBondContact O-N 3.47Å; Y185-K188 VanDerWaalsContact O-N 3.12Å; Y185-Y189 AromaticContact CD2-CD2 3.82Å; Y185-Y189 HydrophobicContact CD2-CD2 3.82Å; Y185-Y189 HydrophobicContact CD2-CE2 4.48Å; Y185-Y189 AromaticContact CE2-CD2 3.61Å; Y185-Y189 HydrophobicContact CE2-CD2 3.61Å; Y185-Y189 HydrophobicContact CE2-CE2 4.31Å; Y185-Y189 HydrophobicContact CE2-CG 4.26Å; Y185-Y189 HydrophobicContact CG-CD2 4.42Å; Y185-Y189 PolarHBondContact O-N 3.26Å; Y185-R192 HydrophobicContact CE1-CB 4.03Å; Y185-R192 WeakPolarHBondContact OH-CB 3.47Å; Y185-V193 HydrophobicContact CD1-CG2 3.68Å; Y185-V193 HydrophobicContact CE1-CG2 3.65Å
186	A	98.8	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-30.6	-179.7	0	0	0	0	0	113.6	A182 V183 P190 V193 L196 L307 I311	A182-A186 WeakPolarHBondContact O-CB 3.1Å; A182-A186 PolarHBondContact O-N 3.45Å; V183-A186 PolarHBondContact O-N 3.22Å; V183-A186 VanDerWaalsContact O-N 3.13Å; A186-P190 VanDerWaalsContact O-CA 3.24Å; A186-P190 WeakPolarHBondContact O-CA 3.49Å; A186-P190 WeakPolarHBondContact O-CB 3.27Å; A186-V193 HydrophobicContact CB-CB 4.23Å; A186-V193 HydrophobicContact CB-CG1 4.24Å; A186-V193 HydrophobicContact CB-CG2 3.86Å; A186-L196 HydrophobicContact CB-CD1 3.93Å; A186-L196 HydrophobicContact CB-CD2 4.1Å; A186-L196 HydrophobicContact CB-CG 4.38Å; A186-L307 HydrophobicContact CB-CD1 3.45Å; A186-L307 VanDerWaalsContact CB-CD1 3.45Å; A186-I311 HydrophobicContact CB-CD1 4.26Å
187	I	98.6	Very high	98.4	Very high	33 Å²	33	25 Å²	25	17%	0.169	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-44.2	171	-71.9	167.7	0	0	0	110.4	V183 Y185 M300 R303 Q306 L307	V183-I187 HydrophobicContact CG1-CD1 4.11Å; V183-I187 HydrophobicContact CG1-CG1 4.43Å; V183-I187 WeakPolarHBondContact O-CG1 3.33Å; V183-I187 PolarHBondContact O-N 3.05Å; Y185-I187 VanDerWaalsContact C-N 3.32Å; Y185-I187 PolarHBondContact O-N 2.58Å; I187-M300 HydrophobicContact CD1-SD 4.04Å; I187-R303 HydrophobicContact CD1-CB 4.32Å; I187-R303 WeakPolarHBondContact CD1-O 3.19Å; I187-Q306 HydrophobicContact CD1-CB 4.42Å; I187-Q306 HydrophobicContact CG1-CB 4.31Å; I187-Q306 HydrophobicContact CG2-CB 3.74Å; I187-L307 HydrophobicContact CG1-CB 4Å; I187-L307 HydrophobicContact CG1-CD1 4.33Å
188	K	98.7	Very high	98.5	Very high	106 Å²	106	25 Å²	25	46%	0.461	13%	0.129	S	C	.	.	H	α-helix	trans	-80	-35.2	-176.3	-168.7	170.2	-178.1	176.3	0	113.5	V155 E156 S184 Y185 P190	V155-K188 HydrophobicContact CG1-CB 4.41Å; V155-K188 HydrophobicContact CG1-CD 4.09Å; E156-K188 VanDerWaalsContact CD-NZ 3.34Å; E156-K188 VanDerWaalsContact OE1-CE 3.25Å; E156-K188 WeakPolarHBondContact OE1-CE 3.33Å; E156-K188 IonicContact OE1-NZ 2.75Å; E156-K188 PolarHBondContact OE1-NZ 2.9Å; E156-K188 IonicContact OE2-NZ 3.92Å; S184-K188 PolarHBondContact O-N 2.94Å; Y185-K188 PolarHBondContact O-N 3.47Å; Y185-K188 VanDerWaalsContact O-N 3.12Å; K188-P190 VanDerWaalsContact C-CD 3.43Å
189	Y	98.8	Very high	98.5	Very high	50 Å²	50	25 Å²	25	20%	0.196	13%	0.129	C	C	.	.			trans	-128.3	58.3	-174.3	-58.3	-71.1	0	0	0	112.2	V155 E156 E159 Y185 A191 R192	V155-Y189 HydrophobicContact CG1-CD2 4.31Å; V155-Y189 HydrophobicContact CG1-CE2 3.96Å; E156-Y189 VanDerWaalsContact CD-OH 3.32Å; E156-Y189 PolarHBondContact OE1-OH 2.88Å; E156-Y189 PolarHBondContact OE2-OH 3.4Å; E156-Y189 VanDerWaalsContact OE2-OH 3.08Å; E159-Y189 HydrophobicContact CB-CD2 4.16Å; E159-Y189 HydrophobicContact CB-CE2 3.68Å; E159-Y189 HydrophobicContact CG-CD1 4.32Å; E159-Y189 HydrophobicContact CG-CD2 4.36Å; E159-Y189 HydrophobicContact CG-CE1 3.87Å; E159-Y189 HydrophobicContact CG-CE2 3.93Å; Y185-Y189 AromaticContact CD2-CD2 3.82Å; Y185-Y189 HydrophobicContact CD2-CD2 3.82Å; Y185-Y189 HydrophobicContact CD2-CE2 4.48Å; Y185-Y189 AromaticContact CE2-CD2 3.61Å; Y185-Y189 HydrophobicContact CE2-CD2 3.61Å; Y185-Y189 HydrophobicContact CE2-CE2 4.31Å; Y185-Y189 HydrophobicContact CE2-CG 4.26Å; Y185-Y189 HydrophobicContact CG-CD2 4.42Å; Y185-Y189 PolarHBondContact O-N 3.26Å; Y189-A191 VanDerWaalsContact C-N 3.27Å; Y189-A191 PolarHBondContact O-N 3.43Å; Y189-R192 WeakPolarHBondContact O-CB 3.31Å; Y189-R192 PolarHBondContact O-N 2.73Å
190	P	98.4	Very high	98.3	Very high	46 Å²	46	25 Å²	25	30%	0.299	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-60.8	-34.8	-171.8	23.4	-34.4	0	0	0	113.3	A186 K188 R192 V193 H308 I311	A186-P190 VanDerWaalsContact O-CA 3.24Å; A186-P190 WeakPolarHBondContact O-CA 3.49Å; A186-P190 WeakPolarHBondContact O-CB 3.27Å; K188-P190 VanDerWaalsContact C-CD 3.43Å; P190-R192 PolarHBondContact O-N 3.27Å; P190-R192 VanDerWaalsContact O-N 3.08Å; P190-V193 PolarHBondContact O-N 3.4Å; P190-H308 HydrophobicContact CB-CB 3.72Å; P190-I311 HydrophobicContact CB-CD1 3.77Å
191	A	98.3	Very high	98.1	Very high	83 Å²	83	25 Å²	25	69%	0.686	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-64.5	-13.4	177.8	0	0	0	0	0	114.2	Y189	Y189-A191 VanDerWaalsContact C-N 3.27Å; Y189-A191 PolarHBondContact O-N 3.43Å
192	R	98.6	Very high	97.8	Very high	81 Å²	81	26.5 Å²	26.5	31%	0.306	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-95.6	-7.3	-179.5	-54.6	-57.6	176.7	-163.5	-5.1	113	E168 S169 M170 Y185 Y189 P190	E168-R192 WeakPolarHBondContact O-CD 3.43Å; E168-R192 PolarHBondContact O-NH1 3.06Å; E168-R192 VanDerWaalsContact O-NH1 3.14Å; S169-R192 CarbonylContact C-O 3.54Å; S169-R192 VanDerWaalsContact CA-O 3.24Å; S169-R192 WeakPolarHBondContact CA-O 3.5Å; M170-R192 PolarHBondContact N-O 3.19Å; Y185-R192 HydrophobicContact CE1-CB 4.03Å; Y185-R192 WeakPolarHBondContact OH-CB 3.47Å; Y189-R192 WeakPolarHBondContact O-CB 3.31Å; Y189-R192 PolarHBondContact O-N 2.73Å; P190-R192 PolarHBondContact O-N 3.27Å; P190-R192 VanDerWaalsContact O-N 3.08Å
193	V	98.8	Very high	97.1	Very high	8 Å²	8	26.7 Å²	26.7	5%	0.048	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.8	-173.2	-175	0	0	0	0	110.3	M170 I172 Y185 A186 P190 L196 I311	M170-V193 WeakPolarHBondContact O-CA 3.32Å; I172-V193 HydrophobicContact CD1-CG1 4.42Å; I172-V193 HydrophobicContact CD1-CG2 3.69Å; I172-V193 HydrophobicContact CG1-CG1 4.49Å; I172-V193 HydrophobicContact CG1-CG2 4.44Å; Y185-V193 HydrophobicContact CD1-CG2 3.68Å; Y185-V193 HydrophobicContact CE1-CG2 3.65Å; A186-V193 HydrophobicContact CB-CB 4.23Å; A186-V193 HydrophobicContact CB-CG1 4.24Å; A186-V193 HydrophobicContact CB-CG2 3.86Å; P190-V193 PolarHBondContact O-N 3.4Å; V193-L196 HydrophobicContact CG1-CD2 3.93Å; V193-L196 HydrophobicContact CG1-CG 4.02Å; V193-I311 HydrophobicContact CB-CD1 4.28Å; V193-I311 HydrophobicContact CG1-CG2 4Å
194	K	98.5	Very high	96.5	Very high	105 Å²	105	26.7 Å²	26.7	46%	0.457	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-32.9	176.8	-65.3	-67.9	-173.2	171.3	0	112.7	T99 S169 M170 P312 V371	T99-K194 HydrophobicContact CG2-CB 4.13Å; T99-K194 HydrophobicContact CG2-CG 3.91Å; S169-K194 WeakPolarHBondContact OG-CE 3.41Å; M170-K194 PolarHBondContact O-N 3.02Å; K194-P312 WeakPolarHBondContact O-CD 3.44Å; K194-P312 WeakPolarHBondContact O-CG 3.28Å; K194-V371 HydrophobicContact CB-CG1 3.54Å; K194-V371 HydrophobicContact CG-CG1 4.37Å
195	H	98.8	Very high	95.7	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	146.3	177.8	-156	112.4	0	0	0	110.6	I171 I172 P312 S314 V367 V371	I171-H195 WeakPolarHBondContact CA-O 3.5Å; I171-H195 HydrophobicContact CG1-CB 4.13Å; I171-H195 HydrophobicContact CG2-CB 4.19Å; I172-H195 PolarHBondContact N-O 2.92Å; H195-P312 HydrophobicContact CB-CG 4.07Å; H195-P312 WeakPolarHBondContact ND1-CG 3.36Å; H195-S314 PolarHBondContact NE2-OG 3.37Å; H195-V367 VanDerWaalsContact NE2-CG1 3.27Å; H195-V367 WeakPolarHBondContact NE2-CG1 3.31Å; H195-V371 HydrophobicContact CB-CG2 3.66Å
196	L	98.8	Very high	94.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.4	173.2	-70.1	169.7	0	0	0	110.8	I172 A182 V183 A186 V193 L198 L307 I311 P312 I313 S314	I172-L196 HydrophobicContact CB-CD2 4.23Å; A182-L196 HydrophobicContact CB-CD2 3.95Å; V183-L196 HydrophobicContact CG2-CD1 4.2Å; A186-L196 HydrophobicContact CB-CD1 3.93Å; A186-L196 HydrophobicContact CB-CD2 4.1Å; A186-L196 HydrophobicContact CB-CG 4.38Å; V193-L196 HydrophobicContact CG1-CD2 3.93Å; V193-L196 HydrophobicContact CG1-CG 4.02Å; L196-L198 HydrophobicContact CB-CD2 4.29Å; L196-L198 HydrophobicContact CB-CG 4.43Å; L196-L307 HydrophobicContact CD1-CD1 4.19Å; L196-L307 HydrophobicContact CD1-CD2 3.88Å; L196-I311 HydrophobicContact CD1-CG2 3.87Å; L196-I311 HydrophobicContact CG-CG2 3.94Å; L196-P312 PolarHBondContact N-O 3.26Å; L196-I313 HydrophobicContact CB-CG1 4.35Å; L196-I313 HydrophobicContact CB-CG2 4.44Å; L196-I313 HydrophobicContact CD1-CG1 4.24Å; L196-I313 CarbonylContact O-C 3.51Å; L196-I313 WeakPolarHBondContact O-CA 3.47Å; L196-S314 PolarHBondContact O-N 3.32Å
197	V	98.8	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	99.7	171.5	-174.8	0	0	0	0	108.6	I171 I172 L173 G174 V199 S314 I316 V364 V367	I171-V197 HydrophobicContact CG2-CG2 4.02Å; I172-V197 PolarHBondContact O-N 3.41Å; L173-V197 CarbonylContact C-O 3.59Å; L173-V197 VanDerWaalsContact CA-O 3.26Å; L173-V197 WeakPolarHBondContact CA-O 3.41Å; L173-V197 HydrophobicContact CB-CB 4.02Å; L173-V197 HydrophobicContact CD1-CB 4.27Å; L173-V197 HydrophobicContact CD1-CG1 3.91Å; L173-V197 HydrophobicContact CG-CB 3.93Å; L173-V197 HydrophobicContact CG-CG1 3.87Å; G174-V197 PolarHBondContact N-O 2.95Å; V197-V199 HydrophobicContact CG1-CG2 4.35Å; V197-S314 CarbonylContact C-O 3.53Å; V197-S314 WeakPolarHBondContact CA-O 3.42Å; V197-I316 HydrophobicContact CG1-CD1 3.9Å; V197-V364 HydrophobicContact CG1-CG2 4.39Å; V197-V367 HydrophobicContact CG2-CG1 3.92Å
198	L	98.3	Very high	90.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111.9	-175	-55	-176.8	0	0	0	109.9	A182 V183 L196 P201 F204 I313 S314 I315 I316	A182-L198 HydrophobicContact CB-CD2 4.22Å; V183-L198 HydrophobicContact CG2-CD1 3.75Å; V183-L198 HydrophobicContact CG2-CD2 3.82Å; V183-L198 HydrophobicContact CG2-CG 4.43Å; L196-L198 HydrophobicContact CB-CD2 4.29Å; L196-L198 HydrophobicContact CB-CG 4.43Å; L198-P201 HydrophobicContact CB-CB 4.27Å; L198-P201 HydrophobicContact CB-CG 4.03Å; L198-F204 HydrophobicContact CD1-CE1 4.25Å; L198-F204 HydrophobicContact CD1-CZ 3.7Å; L198-I313 HydrophobicContact CD1-CG2 3.65Å; L198-I313 HydrophobicContact CG-CG2 3.98Å; L198-S314 PolarHBondContact N-O 2.91Å; L198-I315 HydrophobicContact CB-CG1 4.47Å; L198-I315 HydrophobicContact CB-CG2 4.21Å; L198-I315 HydrophobicContact CD1-CG1 4.47Å; L198-I315 CarbonylContact O-C 3.5Å; L198-I315 WeakPolarHBondContact O-CA 3.4Å; L198-I316 PolarHBondContact O-N 3.02Å
199	V	97.1	Very high	87.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.6	-178.8	-170.8	0	0	0	0	108.4	L173 G174 H175 N176 V197 P201 I316 V352 F353 F360	L173-V199 HydrophobicContact CD2-CG2 3.85Å; L173-V199 HydrophobicContact CG-CG2 4.12Å; G174-V199 PolarHBondContact O-N 2.83Å; H175-V199 CarbonylContact C-O 3.43Å; H175-V199 VanDerWaalsContact CA-O 3.27Å; H175-V199 WeakPolarHBondContact CA-O 3.11Å; H175-V199 HydrophobicContact CB-CB 4.48Å; H175-V199 PolarHBondContact CD2-O 3.18Å; N176-V199 PolarHBondContact N-O 3.43Å; V197-V199 HydrophobicContact CG1-CG2 4.35Å; V199-P201 VanDerWaalsContact C-N 3.31Å; V199-I316 HydrophobicContact CG2-CB 4.49Å; V199-I316 HydrophobicContact CG2-CD1 4.44Å; V199-V352 HydrophobicContact CG1-CB 4.15Å; V199-V352 HydrophobicContact CG1-CG2 4.35Å; V199-F353 HydrophobicContact CG1-CD1 4.42Å; V199-F360 HydrophobicContact CB-CE2 4.48Å; V199-F360 HydrophobicContact CG1-CE2 3.92Å; V199-F360 HydrophobicContact CG2-CE2 3.68Å; V199-F360 HydrophobicContact CG2-CZ 3.83Å
200	E	93.6	Very high	85.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	49	48.2	177.3	-70.3	-78.3	149.5	0	0	113.3	N176 I316 Y317 G318 S321 I323 H350 V352	N176-E200 WeakPolarHBondContact CA-O 3.47Å; N176-E200 PolarHBondContact N-O 2.66Å; E200-I316 PolarHBondContact N-O 2.91Å; E200-Y317 WeakPolarHBondContact OE1-CA 3.34Å; E200-Y317 WeakPolarHBondContact OE1-CD1 3.08Å; E200-G318 PolarHBondContact OE1-N 3.43Å; E200-S321 VanDerWaalsContact CD-OG 3.23Å; E200-S321 WeakPolarHBondContact OE1-CB 3.39Å; E200-S321 PolarHBondContact OE1-OG 3.13Å; E200-S321 VanDerWaalsContact OE2-CB 3.27Å; E200-S321 WeakPolarHBondContact OE2-CB 3.36Å; E200-S321 PolarHBondContact OE2-OG 2.89Å; E200-I323 WeakPolarHBondContact OE2-CB 3.42Å; E200-I323 WeakPolarHBondContact OE2-CG1 3.31Å; E200-H350 WeakPolarHBondContact CG-O 3.22Å; E200-H350 IonicContact OE2-ND1 2.67Å; E200-H350 PolarHBondContact OE2-ND1 2.88Å; E200-V352 HydrophobicContact CG-CG2 3.69Å
201	P	94.1	Very high	82.4	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.013	27%	0.27	C	S	.	.			trans	-70.2	138.8	-167.2	32.1	-38.1	0	0	0	111.9	L198 V199 F204 I315	L198-P201 HydrophobicContact CB-CB 4.27Å; L198-P201 HydrophobicContact CB-CG 4.03Å; V199-P201 VanDerWaalsContact C-N 3.31Å; P201-F204 HydrophobicContact CB-CD2 3.82Å; P201-F204 HydrophobicContact CB-CE2 3.49Å; P201-F204 VanDerWaalsContact CB-CE2 3.49Å; P201-F204 HydrophobicContact CB-CZ 4.28Å; P201-F204 HydrophobicContact CG-CD2 4.01Å; P201-F204 HydrophobicContact CG-CE2 3.9Å; P201-F204 HydrophobicContact CG-CZ 4.4Å; P201-I315 HydrophobicContact CG-CG2 4.36Å
202	W	91.4	Very high	79.6	Confident	30 Å²	30	53.7 Å²	53.7	11%	0.114	27%	0.268	C	S	.	.	S	Bend	trans	-89.2	159.1	174.9	169.7	88.8	0	0	0	111.7	N176 F180 F204 F286 M289 T290 G294 A296	N176-W202 PolarHBondContact O-N 2.69Å; N176-W202 VanDerWaalsContact O-N 3.17Å; N176-W202 WeakPolarHBondContact OD1-CB 3.48Å; F180-W202 HydrophobicContact CB-CE3 4.27Å; F180-W202 WeakPolarHBondContact CB-O 3.36Å; F180-W202 HydrophobicContact CD1-CZ3 4.46Å; F180-W202 HydrophobicContact CD2-CE3 4.18Å; F180-W202 HydrophobicContact CD2-CZ3 4.2Å; F180-W202 HydrophobicContact CE2-CZ3 4.34Å; F180-W202 HydrophobicContact CG-CE3 4.17Å; F180-W202 HydrophobicContact CG-CZ3 4.25Å; W202-F204 WeakPolarHBondContact O-CD2 3.46Å; W202-F204 PolarHBondContact O-N 3.35Å; W202-F286 AromaticContact CD2-CE2 3.83Å; W202-F286 HydrophobicContact CD2-CE2 3.83Å; W202-F286 AromaticContact CD2-CZ 3.97Å; W202-F286 HydrophobicContact CD2-CZ 3.97Å; W202-F286 AromaticContact CE2-CE2 3.96Å; W202-F286 AromaticContact CE2-CZ 3.76Å; W202-F286 AromaticContact CE3-CE2 3.75Å; W202-F286 HydrophobicContact CE3-CE2 3.75Å; W202-F286 HydrophobicContact CE3-CZ 4.35Å; W202-F286 HydrophobicContact CG-CZ 4.45Å; W202-F286 AromaticContact CH2-CE2 3.89Å; W202-F286 HydrophobicContact CH2-CE2 3.89Å; W202-F286 HydrophobicContact CH2-CZ 4.3Å; W202-F286 HydrophobicContact CZ2-CE2 4Å; W202-F286 AromaticContact CZ2-CZ 3.94Å; W202-F286 HydrophobicContact CZ2-CZ 3.94Å; W202-F286 HydrophobicContact CZ3-CD2 4.48Å; W202-F286 AromaticContact CZ3-CE2 3.78Å; W202-F286 HydrophobicContact CZ3-CE2 3.78Å; W202-M289 HydrophobicContact CH2-CB 4.45Å; W202-T290 HydrophobicContact CZ2-CG2 4.21Å; W202-T290 WeakPolarHBondContact CZ2-OG1 3.38Å; W202-G294 PolarHBondContact NE1-O 2.84Å; W202-A296 HydrophobicContact CE3-CB 4.49Å; W202-A296 HydrophobicContact CH2-CB 3.49Å; W202-A296 VanDerWaalsContact CH2-CB 3.49Å; W202-A296 HydrophobicContact CZ2-CB 3.81Å; W202-A296 HydrophobicContact CZ3-CB 3.86Å
203	G	85.8	Confident	77	Confident	4 Å²	4	54.5 Å²	54.5	4%	0.041	29%	0.291	C	S	.	.	S	Bend	trans	78.2	20.4	168.5	0	0	0	0	0	114.9	A296 P299 M300	G203-A296 VanDerWaalsContact CA-CB 3.48Å; G203-P299 CarbonylContact O-C 3.56Å; G203-P299 WeakPolarHBondContact O-CA 3.08Å; G203-M300 PolarHBondContact O-N 3.37Å
204	F	85.9	Confident	74.3	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	33%	0.327	C	S	.	.			trans	-85.7	-57.5	176.4	-83	-107	0	0	0	113.3	V183 L198 P201 W202 M300 L301 I331	V183-F204 HydrophobicContact CG2-CZ 3.76Å; L198-F204 HydrophobicContact CD1-CE1 4.25Å; L198-F204 HydrophobicContact CD1-CZ 3.7Å; P201-F204 HydrophobicContact CB-CD2 3.82Å; P201-F204 HydrophobicContact CB-CE2 3.49Å; P201-F204 VanDerWaalsContact CB-CE2 3.49Å; P201-F204 HydrophobicContact CB-CZ 4.28Å; P201-F204 HydrophobicContact CG-CD2 4.01Å; P201-F204 HydrophobicContact CG-CE2 3.9Å; P201-F204 HydrophobicContact CG-CZ 4.4Å; W202-F204 WeakPolarHBondContact O-CD2 3.46Å; W202-F204 PolarHBondContact O-N 3.35Å; F204-M300 HydrophobicContact CD1-CB 3.8Å; F204-M300 HydrophobicContact CD1-CG 4.05Å; F204-M300 HydrophobicContact CD2-CB 4.01Å; F204-M300 HydrophobicContact CE1-CB 3.93Å; F204-M300 HydrophobicContact CE1-CG 3.65Å; F204-M300 HydrophobicContact CE2-CB 4.05Å; F204-M300 HydrophobicContact CE2-CG 4.1Å; F204-M300 HydrophobicContact CG-CB 3.89Å; F204-M300 HydrophobicContact CZ-CB 4.05Å; F204-M300 HydrophobicContact CZ-CG 3.68Å; F204-L301 HydrophobicContact CD1-CD2 4.37Å; F204-L301 WeakPolarHBondContact O-CG 3.32Å; F204-L301 PolarHBondContact O-N 3.5Å; F204-I331 HydrophobicContact CD1-CD1 3.43Å; F204-I331 VanDerWaalsContact CD1-CD1 3.43Å; F204-I331 HydrophobicContact CD1-CG1 4.1Å; F204-I331 HydrophobicContact CE1-CD1 3.45Å; F204-I331 VanDerWaalsContact CE1-CD1 3.45Å; F204-I331 HydrophobicContact CE1-CG1 4.19Å
205	P	80.6	Confident	71.8	Confident	24 Å²	24	65.1 Å²	65.1	16%	0.156	34%	0.339	C	S	.	.	S	Bend	trans	-63.2	147.3	-174.5	-9.4	20	0	0	0	111.5	W295 S327	P205-W295 HydrophobicContact CB-CE3 4.46Å; P205-W295 HydrophobicContact CB-CH2 4.08Å; P205-W295 HydrophobicContact CB-CZ3 3.55Å; P205-W295 HydrophobicContact CG-CH2 4.25Å; P205-W295 HydrophobicContact CG-CZ3 3.63Å; P205-S327 WeakPolarHBondContact CD-OG 3.19Å; P205-S327 WeakPolarHBondContact CG-OG 3.41Å
206	E	69.8	Low	69.5	Low	109 Å²	109	70.5 Å²	70.5	51%	0.509	37%	0.374	S	S	.	.			trans	-72.5	149.7	169.4	-173.2	167.3	-151.3	0	0	109.9	Q208 Q302	E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 3.18Å; E206-Q302 PolarHBondContact OE1-NE2 2.86Å
207	V	63.1	Low	67.5	Low	68 Å²	68	74.8 Å²	74.8	41%	0.412	40%	0.396	S	S	.	.			trans	-63	102.4	164.2	178.9	0	0	0	0	106.7	E209 W295	V207-E209 VanDerWaalsContact C-N 3.35Å; V207-E209 HydrophobicContact CG1-CG 4.34Å; V207-E209 PolarHBondContact O-N 2.73Å; V207-W295 HydrophobicContact CG2-CB 3.58Å; V207-W295 HydrophobicContact CG2-CD2 4.37Å; V207-W295 HydrophobicContact CG2-CG 3.68Å
208	Q	50.4	Low	65.7	Low	158 Å²	158	77.4 Å²	77.4	74%	0.738	41%	0.413	S	S	*	.			trans	-66.9	107.7	156.4	-65.7	-173.5	-2.7	0	0	104.7	E206 T210	E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 3.18Å; Q208-T210 HydrophobicContact CB-CG2 3.97Å; Q208-T210 PolarHBondContact O-N 3.5Å
209	E	46.1	Very low	64.1	Low	181 Å²	181	83.2 Å²	83.2	85%	0.846	45%	0.448	S	S	*	.			trans	-62.6	70.3	160.5	-70.9	-172.5	164.4	0	0	107.1	V207 V211	V207-E209 VanDerWaalsContact C-N 3.35Å; V207-E209 HydrophobicContact CG1-CG 4.34Å; V207-E209 PolarHBondContact O-N 2.73Å; E209-V211 PolarHBondContact O-N 3.43Å
210	T	41.6	Very low	61.7	Low	81 Å²	81	91 Å²	91	50%	0.497	48%	0.478	S	S	.	.			trans	-64.9	132.5	166.9	52.9	0	0	0	0	105.8	Q208 E212	Q208-T210 HydrophobicContact CB-CG2 3.97Å; Q208-T210 PolarHBondContact O-N 3.5Å; T210-E212 PolarHBondContact O-N 2.72Å
211	V	42.5	Very low	59.6	Low	136 Å²	136	94.4 Å²	94.4	82%	0.824	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-58.5	16.5	-179.2	179.9	0	0	0	0	113	E209 A213	E209-V211 PolarHBondContact O-N 3.43Å; V211-A213 PolarHBondContact O-N 3.5Å
212	E	40.1	Very low	57.4	Low	135 Å²	135	100.1 Å²	100.1	63%	0.631	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-78.2	2.4	174	-71.4	-162.9	139	0	0	114.1	T210 D214	T210-E212 PolarHBondContact O-N 2.72Å; E212-D214 PolarHBondContact O-N 3.38Å
213	A	43	Very low	55.5	Low	97 Å²	97	101.3 Å²	101.3	80%	0.802	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-67.6	-4.3	170	0	0	0	0	0	114.1	V211	V211-A213 PolarHBondContact O-N 3.5Å
214	D	41.3	Very low	53.6	Low	148 Å²	148	104.7 Å²	104.7	79%	0.791	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-103.9	6.5	-176.3	-126.2	11.1	0	0	0	114.9	E212 P216	E212-D214 PolarHBondContact O-N 3.38Å; D214-P216 WeakPolarHBondContact O-CD 3.08Å
215	R	47.3	Very low	51.6	Low	188 Å²	188	106.5 Å²	106.5	71%	0.709	57%	0.571	S	S	*	*	S	Bend	trans	-83.2	118.8	162.9	-69.8	-172	-176.9	169	6.3	108.1	I217	R215-I217 VanDerWaalsContact C-N 3.33Å; R215-I217 PolarHBondContact O-N 3.36Å
216	P	49	Very low	49.8	Very low	119 Å²	119	108.4 Å²	108.4	77%	0.773	59%	0.589	S	S	*	*			trans	-62.3	99.4	176.4	24.3	-31.5	0	0	0	108.1	D214 P218	D214-P216 WeakPolarHBondContact O-CD 3.08Å; P216-P218 WeakPolarHBondContact O-CD 3.12Å
217	I	56.7	Low	48.3	Very low	89 Å²	89	109.2 Å²	109.2	46%	0.456	60%	0.595	S	S	.	*			trans	-56.8	117.3	171.9	-58.4	171.2	0	0	0	105.2	R215 V219 I221 K222	R215-I217 VanDerWaalsContact C-N 3.33Å; R215-I217 PolarHBondContact O-N 3.36Å; I217-V219 PolarHBondContact O-N 2.67Å; I217-I221 HydrophobicContact CG2-CB 3.62Å; I217-I221 HydrophobicContact CG2-CG2 3.5Å; I217-K222 HydrophobicContact CB-CD 4.35Å; I217-K222 HydrophobicContact CB-CG 3.79Å; I217-K222 HydrophobicContact CG2-CG 3.61Å; I217-K222 WeakPolarHBondContact O-CE 3.43Å
218	P	61.8	Low	47.3	Very low	55 Å²	55	112.6 Å²	112.6	36%	0.357	60%	0.604	S	S	.	*			trans	-50.2	139.5	-178.3	-28.3	33.8	0	0	0	110.4	P216 W220 I221 K222	P216-P218 WeakPolarHBondContact O-CD 3.12Å; P218-W220 HydrophobicContact CB-CG 4.19Å; P218-W220 PolarHBondContact O-N 3.02Å; P218-I221 HydrophobicContact CB-CG1 4.33Å; P218-I221 HydrophobicContact CG-CD1 4.15Å; P218-I221 HydrophobicContact CG-CG1 4.41Å; P218-I221 WeakPolarHBondContact O-CA 3.49Å; P218-I221 PolarHBondContact O-N 2.74Å; P218-K222 PolarHBondContact O-N 3.46Å
219	V	64	Low	47	Very low	122 Å²	122	109.1 Å²	109.1	74%	0.739	60%	0.597	S	S	*	*	H	α-helix	trans	-53.7	-31.2	-176	177.7	0	0	0	0	111.6	I217 K222 A223	I217-V219 PolarHBondContact O-N 2.67Å; V219-K222 CarbonylContact O-C 3.59Å; V219-K222 PolarHBondContact O-N 2.81Å; V219-A223 WeakPolarHBondContact O-CA 3.02Å; V219-A223 WeakPolarHBondContact O-CB 3.46Å; V219-A223 PolarHBondContact O-N 3.21Å
220	W	48.2	Very low	46.7	Very low	163 Å²	163	104.3 Å²	104.3	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-70.2	-33.1	175.1	69.4	-95.3	0	0	0	113.7	P218 A223 L224	P218-W220 HydrophobicContact CB-CG 4.19Å; P218-W220 PolarHBondContact O-N 3.02Å; W220-A223 PolarHBondContact O-N 3.26Å; W220-L224 HydrophobicContact CE3-CD1 3.57Å; W220-L224 HydrophobicContact CZ3-CD1 3.72Å; W220-L224 WeakPolarHBondContact O-CB 3.24Å; W220-L224 VanDerWaalsContact O-CG 3.24Å; W220-L224 WeakPolarHBondContact O-CG 3.34Å; W220-L224 PolarHBondContact O-N 3.03Å
221	I	49.1	Very low	46.7	Very low	72 Å²	72	104.8 Å²	104.8	37%	0.369	58%	0.577	S	S	.	*	H	α-helix	trans	-74.3	-39.3	171.8	-61.1	-174.1	0	0	0	110.2	I217 P218 A223 G225	I217-I221 HydrophobicContact CG2-CB 3.62Å; I217-I221 HydrophobicContact CG2-CG2 3.5Å; P218-I221 HydrophobicContact CB-CG1 4.33Å; P218-I221 HydrophobicContact CG-CD1 4.15Å; P218-I221 HydrophobicContact CG-CG1 4.41Å; P218-I221 WeakPolarHBondContact O-CA 3.49Å; P218-I221 PolarHBondContact O-N 2.74Å; I221-A223 VanDerWaalsContact C-N 3.3Å; I221-A223 PolarHBondContact O-N 2.77Å; I221-G225 WeakPolarHBondContact O-CA 3Å; I221-G225 PolarHBondContact O-N 2.91Å
222	K	48.2	Very low	47.2	Very low	123 Å²	123	99.6 Å²	99.6	54%	0.535	55%	0.545	S	S	.	.	H	α-helix	trans	-64.4	-36	171	-69.5	-169.6	-177.1	-177.2	0	111.6	I217 P218 V219 A226	I217-K222 HydrophobicContact CB-CD 4.35Å; I217-K222 HydrophobicContact CB-CG 3.79Å; I217-K222 HydrophobicContact CG2-CG 3.61Å; I217-K222 WeakPolarHBondContact O-CE 3.43Å; P218-K222 PolarHBondContact O-N 3.46Å; V219-K222 CarbonylContact O-C 3.59Å; V219-K222 PolarHBondContact O-N 2.81Å; K222-A226 WeakPolarHBondContact O-CA 3Å; K222-A226 WeakPolarHBondContact O-CB 3.37Å; K222-A226 PolarHBondContact O-N 3.35Å
223	A	51.2	Low	47.8	Very low	54 Å²	54	97.9 Å²	97.9	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-73	-42.5	177.6	0	0	0	0	0	111.4	V219 W220 I221 A226 M227	V219-A223 WeakPolarHBondContact O-CA 3.02Å; V219-A223 WeakPolarHBondContact O-CB 3.46Å; V219-A223 PolarHBondContact O-N 3.21Å; W220-A223 PolarHBondContact O-N 3.26Å; I221-A223 VanDerWaalsContact C-N 3.3Å; I221-A223 PolarHBondContact O-N 2.77Å; A223-A226 CarbonylContact O-C 3.52Å; A223-A226 PolarHBondContact O-N 2.92Å; A223-M227 WeakPolarHBondContact O-CA 3.35Å; A223-M227 WeakPolarHBondContact O-CB 3.38Å; A223-M227 PolarHBondContact O-N 2.92Å
224	L	45.3	Very low	48.4	Very low	76 Å²	76	94.5 Å²	94.5	40%	0.398	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-49.2	170.1	-75	170.6	0	0	0	110.2	W220 A226 M227 F228	W220-L224 HydrophobicContact CE3-CD1 3.57Å; W220-L224 HydrophobicContact CZ3-CD1 3.72Å; W220-L224 WeakPolarHBondContact O-CB 3.24Å; W220-L224 VanDerWaalsContact O-CG 3.24Å; W220-L224 WeakPolarHBondContact O-CG 3.34Å; W220-L224 PolarHBondContact O-N 3.03Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.18Å; L224-M227 CarbonylContact O-C 3.58Å; L224-M227 WeakPolarHBondContact O-CA 3.3Å; L224-M227 WeakPolarHBondContact O-CB 3.4Å; L224-M227 PolarHBondContact O-N 3.16Å; L224-F228 HydrophobicContact CB-CD2 4.39Å; L224-F228 HydrophobicContact CB-CE2 4.44Å; L224-F228 HydrophobicContact CD2-CE2 4.11Å; L224-F228 WeakPolarHBondContact O-CB 3.42Å; L224-F228 WeakPolarHBondContact O-CD2 3.47Å; L224-F228 PolarHBondContact O-N 2.77Å
225	G	43.9	Very low	49	Very low	38 Å²	38	88.7 Å²	88.7	39%	0.392	49%	0.486	S	S	.	.	H	α-helix	trans	-58	-40.9	175.7	0	0	0	0	0	112.7	I221 F228 S229	I221-G225 WeakPolarHBondContact O-CA 3Å; I221-G225 PolarHBondContact O-N 2.91Å; G225-F228 CarbonylContact O-C 3.53Å; G225-F228 PolarHBondContact O-N 3.44Å; G225-S229 WeakPolarHBondContact O-CA 3.46Å; G225-S229 WeakPolarHBondContact O-CB 3.28Å; G225-S229 PolarHBondContact O-N 3.19Å
226	A	43.8	Very low	49.2	Very low	64 Å²	64	81.1 Å²	81.1	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-77.7	-20.8	174.6	0	0	0	0	0	113.3	K222 A223 L224 P230	K222-A226 WeakPolarHBondContact O-CA 3Å; K222-A226 WeakPolarHBondContact O-CB 3.37Å; K222-A226 PolarHBondContact O-N 3.35Å; A223-A226 CarbonylContact O-C 3.52Å; A223-A226 PolarHBondContact O-N 2.92Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.18Å; A226-P230 WeakPolarHBondContact O-CD 3.02Å
227	M	37.3	Very low	49.6	Very low	127 Å²	127	76.1 Å²	76.1	63%	0.626	43%	0.433	S	S	*	.	H	α-helix	trans	-78.8	-28.3	169.7	-166.5	179.7	-119.8	0	0	109.9	A223 L224 F231	A223-M227 WeakPolarHBondContact O-CA 3.35Å; A223-M227 WeakPolarHBondContact O-CB 3.38Å; A223-M227 PolarHBondContact O-N 2.92Å; L224-M227 CarbonylContact O-C 3.58Å; L224-M227 WeakPolarHBondContact O-CA 3.3Å; L224-M227 WeakPolarHBondContact O-CB 3.4Å; L224-M227 PolarHBondContact O-N 3.16Å; M227-F231 WeakPolarHBondContact O-CD2 3.29Å; M227-F231 WeakPolarHBondContact O-CE2 3.28Å
228	F	41.8	Very low	49.9	Very low	139 Å²	139	73.5 Å²	73.5	61%	0.61	42%	0.417	S	S	*	.	H	α-helix	trans	-94	-21.4	175.1	-70.1	-66.1	0	0	0	114.5	L224 G225 F231	L224-F228 HydrophobicContact CB-CD2 4.39Å; L224-F228 HydrophobicContact CB-CE2 4.44Å; L224-F228 HydrophobicContact CD2-CE2 4.11Å; L224-F228 WeakPolarHBondContact O-CB 3.42Å; L224-F228 WeakPolarHBondContact O-CD2 3.47Å; L224-F228 PolarHBondContact O-N 2.77Å; G225-F228 CarbonylContact O-C 3.53Å; G225-F228 PolarHBondContact O-N 3.44Å; F228-F231 PolarHBondContact O-N 3.02Å; F228-F231 VanDerWaalsContact O-N 3.17Å
229	S	44.3	Very low	49.6	Very low	84 Å²	84	76 Å²	76	59%	0.587	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.9	178	178.1	0	0	0	0	115.5	G225 F231	G225-S229 WeakPolarHBondContact O-CA 3.46Å; G225-S229 WeakPolarHBondContact O-CB 3.28Å; G225-S229 PolarHBondContact O-N 3.19Å; S229-F231 PolarHBondContact O-N 3.42Å
230	P	40.8	Very low	49.3	Very low	80 Å²	80	72.4 Å²	72.4	52%	0.519	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-18	171.3	27.9	-34.6	0	0	0	111.7	A226 N232	A226-P230 WeakPolarHBondContact O-CD 3.02Å; P230-N232 PolarHBondContact O-N 2.78Å; P230-N232 VanDerWaalsContact O-N 3.08Å
231	F	40.9	Very low	49.9	Very low	91 Å²	91	64.6 Å²	64.6	40%	0.399	38%	0.376	S	S	.	.			trans	-82.2	99.3	177.6	-63.1	-72.9	0	0	0	109.1	M227 F228 S229 P233 A235	M227-F231 WeakPolarHBondContact O-CD2 3.29Å; M227-F231 WeakPolarHBondContact O-CE2 3.28Å; F228-F231 PolarHBondContact O-N 3.02Å; F228-F231 VanDerWaalsContact O-N 3.17Å; S229-F231 PolarHBondContact O-N 3.42Å; F231-P233 VanDerWaalsContact O-N 3.1Å; F231-A235 HydrophobicContact CD1-CB 4.08Å
232	N	53.6	Low	50.4	Low	28 Å²	28	65 Å²	65	15%	0.15	38%	0.383	C	S	.	.			trans	-32.7	118.4	136.7	173.8	-14.4	0	0	0	107.6	P230 L234 A235 R238 E283	P230-N232 PolarHBondContact O-N 2.78Å; P230-N232 VanDerWaalsContact O-N 3.08Å; N232-L234 PolarHBondContact O-N 2.82Å; N232-L234 WeakPolarHBondContact OD1-CB 3.33Å; N232-L234 PolarHBondContact OD1-N 3.17Å; N232-L234 VanDerWaalsContact OD1-N 3.09Å; N232-A235 HydrophobicContact CB-CB 3.84Å; N232-A235 WeakPolarHBondContact O-CA 3.48Å; N232-A235 WeakPolarHBondContact O-CB 3.49Å; N232-A235 PolarHBondContact O-N 3.01Å; N232-R238 PolarHBondContact ND2-NH1 3.2Å; N232-E283 WeakPolarHBondContact ND2-CB 3.18Å; N232-E283 PolarHBondContact ND2-OE2 3.13Å; N232-E283 PolarHBondContact OD1-OE2 3.49Å
233	P	51.4	Low	50.9	Low	99 Å²	99	64.9 Å²	64.9	64%	0.643	39%	0.387	S	S	*	.	H	α-helix	trans	-55.4	-23.5	-173.4	16.4	-28.8	0	0	0	112.3	F107 F231	F107-P233 HydrophobicContact CE1-CG 4.19Å; F107-P233 HydrophobicContact CZ-CG 4.41Å; F231-P233 VanDerWaalsContact O-N 3.1Å
234	L	57.2	Low	51.4	Low	26 Å²	26	62.3 Å²	62.3	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-85	-16.6	174.6	-52	176	0	0	0	113.4	F107 N232 G236 L237 R238 N276 E283	F107-L234 HydrophobicContact CE1-CD1 4.1Å; F107-L234 HydrophobicContact CE1-CG 4.36Å; F107-L234 HydrophobicContact CZ-CD1 4.02Å; F107-L234 HydrophobicContact CZ-CG 4.44Å; N232-L234 PolarHBondContact O-N 2.82Å; N232-L234 WeakPolarHBondContact OD1-CB 3.33Å; N232-L234 PolarHBondContact OD1-N 3.17Å; N232-L234 VanDerWaalsContact OD1-N 3.09Å; L234-G236 VanDerWaalsContact C-N 3.3Å; L234-L237 WeakPolarHBondContact O-CB 3.47Å; L234-L237 PolarHBondContact O-N 3.3Å; L234-L237 VanDerWaalsContact O-N 3.15Å; L234-R238 VanDerWaalsContact C-NH1 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.36Å; L234-R238 PolarHBondContact O-N 2.82Å; L234-R238 PolarHBondContact O-NH1 2.94Å; L234-N276 HydrophobicContact CB-CB 4.42Å; L234-N276 HydrophobicContact CD1-CB 3.94Å; L234-N276 WeakPolarHBondContact CD1-OD1 3.37Å; L234-N276 HydrophobicContact CD2-CB 3.75Å; L234-N276 HydrophobicContact CG-CB 4.21Å; L234-E283 WeakPolarHBondContact CB-OE2 3.45Å; L234-E283 VanDerWaalsContact CD1-CD 3.41Å; L234-E283 HydrophobicContact CD1-CG 3.78Å; L234-E283 WeakPolarHBondContact CD1-OE2 3.12Å
235	A	53.3	Low	52	Low	26 Å²	26	59.9 Å²	59.9	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-32.1	168.8	0	0	0	0	0	112.2	F231 N232 L237 R238 L239	F231-A235 HydrophobicContact CD1-CB 4.08Å; N232-A235 HydrophobicContact CB-CB 3.84Å; N232-A235 WeakPolarHBondContact O-CA 3.48Å; N232-A235 WeakPolarHBondContact O-CB 3.49Å; N232-A235 PolarHBondContact O-N 3.01Å; A235-L237 PolarHBondContact O-N 2.84Å; A235-R238 PolarHBondContact O-N 3.12Å; A235-L239 WeakPolarHBondContact O-CB 3.47Å; A235-L239 PolarHBondContact O-N 3.33Å
236	G	51.9	Low	52.8	Low	28 Å²	28	61.8 Å²	61.8	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-35.8	168.8	0	0	0	0	0	112.2	L234 L239 V240	L234-G236 VanDerWaalsContact C-N 3.3Å; G236-L239 PolarHBondContact O-N 3.3Å; G236-V240 PolarHBondContact O-N 3.41Å
237	L	55.8	Low	53.5	Low	15 Å²	15	61.1 Å²	61.1	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-69.7	-38.2	175.7	-169.1	65.7	0	0	0	112.6	L234 A235 L239 V240 L247 V248 Y273 N276 V277	L234-L237 WeakPolarHBondContact O-CB 3.47Å; L234-L237 PolarHBondContact O-N 3.3Å; L234-L237 VanDerWaalsContact O-N 3.15Å; A235-L237 PolarHBondContact O-N 2.84Å; L237-L239 VanDerWaalsContact C-N 3.32Å; L237-V240 HydrophobicContact CD1-CG2 4.4Å; L237-V240 WeakPolarHBondContact O-CG2 3.31Å; L237-V240 PolarHBondContact O-N 3.09Å; L237-L247 HydrophobicContact CD1-CD2 4.32Å; L237-V248 HydrophobicContact CD1-CG2 3.54Å; L237-V248 HydrophobicContact CD2-CG2 4.03Å; L237-V248 HydrophobicContact CG-CG2 4.45Å; L237-Y273 HydrophobicContact CD1-CD2 4.05Å; L237-Y273 HydrophobicContact CD2-CD2 4.09Å; L237-Y273 HydrophobicContact CG-CD2 4.01Å; L237-Y273 HydrophobicContact CG-CE2 4.34Å; L237-N276 HydrophobicContact CD2-CB 3.94Å; L237-V277 HydrophobicContact CB-CG1 4.28Å; L237-V277 HydrophobicContact CD2-CG1 3.81Å; L237-V277 HydrophobicContact CG-CG1 3.65Å
238	R	63.7	Low	54.5	Low	33 Å²	33	55.6 Å²	55.6	13%	0.125	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-33.6	173.6	-66.1	173.2	-173.6	101.7	-3.9	112.4	C50 N232 L234 A235 V240 G241 N276 V277 Q278 E283	C50-R238 PolarHBondContact SG-O 3.29Å; N232-R238 PolarHBondContact ND2-NH1 3.2Å; L234-R238 VanDerWaalsContact C-NH1 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.36Å; L234-R238 PolarHBondContact O-N 2.82Å; L234-R238 PolarHBondContact O-NH1 2.94Å; A235-R238 PolarHBondContact O-N 3.12Å; R238-V240 VanDerWaalsContact C-N 3.3Å; R238-V240 PolarHBondContact O-N 3.2Å; R238-G241 PolarHBondContact O-N 3.38Å; R238-N276 PolarHBondContact NH2-O 3.02Å; R238-V277 HydrophobicContact CG-CB 4.09Å; R238-V277 HydrophobicContact CG-CG1 4.17Å; R238-Q278 PolarHBondContact NE-O 2.87Å; R238-Q278 PolarHBondContact NH2-O 3.3Å; R238-E283 IonicContact CZ-OE1 3.82Å; R238-E283 IonicContact CZ-OE2 3.23Å; R238-E283 VanDerWaalsContact CZ-OE2 3.23Å; R238-E283 IonicContact NH1-OE2 2.78Å; R238-E283 PolarHBondContact NH1-OE2 2.97Å; R238-E283 IonicContact NH2-OE1 2.7Å; R238-E283 PolarHBondContact NH2-OE1 2.96Å; R238-E283 IonicContact NH2-OE2 2.78Å; R238-E283 PolarHBondContact NH2-OE2 3.4Å
239	L	56.7	Low	55.3	Low	108 Å²	108	51.4 Å²	51.4	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-65.8	-32.8	-179.8	-171	65	0	0	0	112.4	W49 A235 G236 L237	W49-L239 PolarHBondContact NE1-O 2.7Å; A235-L239 WeakPolarHBondContact O-CB 3.47Å; A235-L239 PolarHBondContact O-N 3.33Å; G236-L239 PolarHBondContact O-N 3.3Å; L237-L239 VanDerWaalsContact C-N 3.32Å
240	V	56.1	Low	55.9	Low	46 Å²	46	52.1 Å²	52.1	28%	0.279	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.9	-176.4	-62.1	0	0	0	0	115.2	G236 L237 R238 L243 L247	G236-V240 PolarHBondContact O-N 3.41Å; L237-V240 HydrophobicContact CD1-CG2 4.4Å; L237-V240 WeakPolarHBondContact O-CG2 3.31Å; L237-V240 PolarHBondContact O-N 3.09Å; R238-V240 VanDerWaalsContact C-N 3.3Å; R238-V240 PolarHBondContact O-N 3.2Å; V240-L243 PolarHBondContact O-N 3.17Å; V240-L247 HydrophobicContact CB-CD2 4.24Å; V240-L247 HydrophobicContact CG1-CD2 3.88Å; V240-L247 HydrophobicContact CG2-CB 4.25Å; V240-L247 HydrophobicContact CG2-CD2 3.51Å
241	G	61.3	Low	56.5	Low	0 Å²	0	54 Å²	54	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	52.9	-124.3	169.1	0	0	0	0	0	113.8	W49 R238 L243 G244 Y273	W49-G241 WeakPolarHBondContact O-CA 3.26Å; R238-G241 PolarHBondContact O-N 3.38Å; G241-L243 PolarHBondContact O-N 3.18Å; G241-L243 VanDerWaalsContact O-N 3.15Å; G241-G244 PolarHBondContact O-N 2.89Å; G241-Y273 PolarHBondContact O-OH 3.26Å; G241-Y273 VanDerWaalsContact O-OH 3.11Å
242	P	59.9	Low	57.7	Low	79 Å²	79	53.3 Å²	53.3	51%	0.513	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66.5	-17.1	-173.4	-16.9	31.6	0	0	0	115.8	W49 P51	W49-P242 VanDerWaalsContact O-CD 3.24Å; W49-P242 WeakPolarHBondContact O-CD 3.46Å; P51-P242 HydrophobicContact CG-CB 3.96Å; P51-P242 HydrophobicContact CG-CG 4.24Å
243	L	58.8	Low	58.5	Low	122 Å²	122	55.6 Å²	55.6	64%	0.639	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-84.5	-1.8	175.3	-60.6	176.7	0	0	0	112.3	V240 G241 T246 L247	V240-L243 PolarHBondContact O-N 3.17Å; G241-L243 PolarHBondContact O-N 3.18Å; G241-L243 VanDerWaalsContact O-N 3.15Å; L243-T246 WeakPolarHBondContact O-CB 3.46Å; L243-T246 PolarHBondContact O-N 3.39Å; L243-T246 VanDerWaalsContact O-N 3.12Å; L243-L247 PolarHBondContact O-N 3.46Å
244	G	60.6	Low	59.6	Low	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.1	-44.2	-176.4	0	0	0	0	0	115.1	G241 T246 L247 V248	G241-G244 PolarHBondContact O-N 2.89Å; G244-T246 VanDerWaalsContact C-N 3.33Å; G244-T246 PolarHBondContact O-N 2.99Å; G244-L247 CarbonylContact O-C 3.6Å; G244-L247 WeakPolarHBondContact O-CB 3.18Å; G244-L247 PolarHBondContact O-N 3.37Å; G244-L247 VanDerWaalsContact O-N 3.13Å; G244-V248 WeakPolarHBondContact O-CG2 3.37Å; G244-V248 PolarHBondContact O-N 2.95Å
245	P	59	Low	60.6	Low	25 Å²	25	52.3 Å²	52.3	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-40.7	174.6	-25.9	35.3	0	0	0	112.9	L247 V248 Q249 Y273	P245-L247 VanDerWaalsContact C-N 3.33Å; P245-V248 PolarHBondContact O-N 3.04Å; P245-Q249 VanDerWaalsContact O-CG 3.31Å; P245-Q249 WeakPolarHBondContact O-CG 3.43Å; P245-Q249 PolarHBondContact O-N 2.98Å; P245-Y273 HydrophobicContact CG-CD1 3.76Å; P245-Y273 HydrophobicContact CG-CD2 4.22Å; P245-Y273 HydrophobicContact CG-CE1 4.19Å; P245-Y273 HydrophobicContact CG-CG 3.78Å
246	T	60.3	Low	62	Low	78 Å²	78	54.8 Å²	54.8	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-36	174.9	-51.5	0	0	0	0	111.5	L243 G244 Q249 T250	L243-T246 WeakPolarHBondContact O-CB 3.46Å; L243-T246 PolarHBondContact O-N 3.39Å; L243-T246 VanDerWaalsContact O-N 3.12Å; G244-T246 VanDerWaalsContact C-N 3.33Å; G244-T246 PolarHBondContact O-N 2.99Å; T246-Q249 PolarHBondContact O-N 3.47Å; T246-T250 WeakPolarHBondContact O-CB 3.5Å; T246-T250 PolarHBondContact O-N 2.92Å; T246-T250 PolarHBondContact O-OG1 3.41Å
247	L	58.8	Low	63.7	Low	50 Å²	50	61.5 Å²	61.5	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-42.7	174.1	-175.4	67.1	0	0	0	111.6	L237 V240 L243 G244 P245 Q249 T250 L251	L237-L247 HydrophobicContact CD1-CD2 4.32Å; V240-L247 HydrophobicContact CB-CD2 4.24Å; V240-L247 HydrophobicContact CG1-CD2 3.88Å; V240-L247 HydrophobicContact CG2-CB 4.25Å; V240-L247 HydrophobicContact CG2-CD2 3.51Å; L243-L247 PolarHBondContact O-N 3.46Å; G244-L247 CarbonylContact O-C 3.6Å; G244-L247 WeakPolarHBondContact O-CB 3.18Å; G244-L247 PolarHBondContact O-N 3.37Å; G244-L247 VanDerWaalsContact O-N 3.13Å; P245-L247 VanDerWaalsContact C-N 3.33Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 3.09Å; L247-T250 CarbonylContact O-C 3.59Å; L247-T250 PolarHBondContact O-N 3.49Å; L247-T250 VanDerWaalsContact O-N 3.11Å; L247-L251 HydrophobicContact CD1-CD1 3.77Å; L247-L251 HydrophobicContact CD1-CD2 4.45Å; L247-L251 HydrophobicContact CD1-CG 3.82Å; L247-L251 HydrophobicContact CD2-CD1 4.03Å; L247-L251 HydrophobicContact CG-CD1 3.65Å; L247-L251 HydrophobicContact CG-CG 4.03Å; L247-L251 WeakPolarHBondContact O-CB 3.44Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.04Å
248	V	59.2	Low	65.3	Low	10 Å²	10	62.2 Å²	62.2	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-43.3	173.7	173.2	0	0	0	0	110.3	L237 G244 P245 T250 L251 R252 I272	L237-V248 HydrophobicContact CD1-CG2 3.54Å; L237-V248 HydrophobicContact CD2-CG2 4.03Å; L237-V248 HydrophobicContact CG-CG2 4.45Å; G244-V248 WeakPolarHBondContact O-CG2 3.37Å; G244-V248 PolarHBondContact O-N 2.95Å; P245-V248 PolarHBondContact O-N 3.04Å; V248-T250 PolarHBondContact O-N 3.13Å; V248-L251 PolarHBondContact O-N 3.34Å; V248-R252 CarbonylContact O-C 3.19Å; V248-R252 VanDerWaalsContact O-CA 3.29Å; V248-R252 WeakPolarHBondContact O-CA 3.41Å; V248-R252 WeakPolarHBondContact O-CB 3.39Å; V248-R252 PolarHBondContact O-N 2.97Å; V248-I272 HydrophobicContact CG1-CB 4.26Å; V248-I272 HydrophobicContact CG1-CG2 3.89Å
249	Q	57.1	Low	66.7	Low	51 Å²	51	60.6 Å²	60.6	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-36.1	175	-72.5	171.4	17.7	0	0	112.4	P245 T246 L247 P253 N266 S269	P245-Q249 VanDerWaalsContact O-CG 3.31Å; P245-Q249 WeakPolarHBondContact O-CG 3.43Å; P245-Q249 PolarHBondContact O-N 2.98Å; T246-Q249 PolarHBondContact O-N 3.47Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 3.09Å; Q249-P253 WeakPolarHBondContact O-CA 3.3Å; Q249-P253 WeakPolarHBondContact O-CB 3.34Å; Q249-P253 WeakPolarHBondContact O-CD 3.07Å; Q249-N266 PolarHBondContact NE2-ND2 3.41Å; Q249-N266 PolarHBondContact NE2-OD1 2.9Å; Q249-N266 VanDerWaalsContact NE2-OD1 3.11Å; Q249-S269 WeakPolarHBondContact CG-OG 3.11Å
250	T	57	Low	68.4	Low	99 Å²	99	59.2 Å²	59.2	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-77.6	-40.6	-179.1	-55	0	0	0	0	112.1	T246 L247 V248	T246-T250 WeakPolarHBondContact O-CB 3.5Å; T246-T250 PolarHBondContact O-N 2.92Å; T246-T250 PolarHBondContact O-OG1 3.41Å; L247-T250 CarbonylContact O-C 3.59Å; L247-T250 PolarHBondContact O-N 3.49Å; L247-T250 VanDerWaalsContact O-N 3.11Å; V248-T250 PolarHBondContact O-N 3.13Å
251	L	54.3	Low	70	Confident	121 Å²	121	61.6 Å²	61.6	63%	0.634	34%	0.338	S	S	*	.	H	α-helix	trans	-85.4	-28	-177.7	-66.7	-178.3	0	0	0	113.1	L247 V248 P253	L247-L251 HydrophobicContact CD1-CD1 3.77Å; L247-L251 HydrophobicContact CD1-CD2 4.45Å; L247-L251 HydrophobicContact CD1-CG 3.82Å; L247-L251 HydrophobicContact CD2-CD1 4.03Å; L247-L251 HydrophobicContact CG-CD1 3.65Å; L247-L251 HydrophobicContact CG-CG 4.03Å; L247-L251 WeakPolarHBondContact O-CB 3.44Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.04Å; V248-L251 PolarHBondContact O-N 3.34Å; L251-P253 VanDerWaalsContact C-CD 3.44Å
252	R	66.3	Low	71.5	Confident	76 Å²	76	63.8 Å²	63.8	29%	0.287	35%	0.348	S	S	.	.			trans	-134.1	53.1	-177.7	-64.5	-61.6	-55.2	-84.5	0.4	112.6	V248 D254 F255 Y351	V248-R252 CarbonylContact O-C 3.19Å; V248-R252 VanDerWaalsContact O-CA 3.29Å; V248-R252 WeakPolarHBondContact O-CA 3.41Å; V248-R252 WeakPolarHBondContact O-CB 3.39Å; V248-R252 PolarHBondContact O-N 2.97Å; R252-D254 VanDerWaalsContact C-OD1 3.23Å; R252-D254 WeakPolarHBondContact CA-OD1 3.23Å; R252-D254 WeakPolarHBondContact CB-OD1 3.46Å; R252-D254 IonicContact CZ-OD1 2.78Å; R252-D254 IonicContact CZ-OD2 3.42Å; R252-D254 IonicContact NE-OD1 2.81Å; R252-D254 PolarHBondContact NE-OD1 2.63Å; R252-D254 IonicContact NE-OD2 3.63Å; R252-D254 PolarHBondContact NE-OD2 3.36Å; R252-D254 IonicContact NH2-OD1 3.96Å; R252-D254 IonicContact NH2-OD2 3.91Å; R252-D254 PolarHBondContact NH2-OD2 2.9Å; R252-D254 PolarHBondContact O-N 3.09Å; R252-D254 VanDerWaalsContact O-N 3.09Å; R252-F255 HydrophobicContact CB-CD2 4.14Å; R252-F255 VanDerWaalsContact CZ-CD2 3.43Å; R252-F255 VanDerWaalsContact NH1-CE2 3.29Å; R252-F255 PolarHBondContact O-N 2.78Å; R252-Y351 VanDerWaalsContact NH2-CE2 3.28Å
253	P	69.9	Low	73.1	Confident	76 Å²	76	60.7 Å²	60.7	49%	0.494	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-19.9	174.5	27.1	-34.5	0	0	0	112	Q249 L251 F255 K256 K257	Q249-P253 WeakPolarHBondContact O-CA 3.3Å; Q249-P253 WeakPolarHBondContact O-CB 3.34Å; Q249-P253 WeakPolarHBondContact O-CD 3.07Å; L251-P253 VanDerWaalsContact C-CD 3.44Å; P253-F255 VanDerWaalsContact C-N 3.28Å; P253-F255 PolarHBondContact O-N 3.06Å; P253-K256 PolarHBondContact O-N 3.17Å; P253-K257 PolarHBondContact O-N 3.08Å
254	D	74.7	Confident	74.5	Confident	50 Å²	50	60.4 Å²	60.4	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-36.2	176.5	68.3	-60.8	0	0	0	112.5	R252 K257 K258	R252-D254 VanDerWaalsContact C-OD1 3.23Å; R252-D254 WeakPolarHBondContact CA-OD1 3.23Å; R252-D254 WeakPolarHBondContact CB-OD1 3.46Å; R252-D254 IonicContact CZ-OD1 2.78Å; R252-D254 IonicContact CZ-OD2 3.42Å; R252-D254 IonicContact NE-OD1 2.81Å; R252-D254 PolarHBondContact NE-OD1 2.63Å; R252-D254 IonicContact NE-OD2 3.63Å; R252-D254 PolarHBondContact NE-OD2 3.36Å; R252-D254 IonicContact NH2-OD1 3.96Å; R252-D254 IonicContact NH2-OD2 3.91Å; R252-D254 PolarHBondContact NH2-OD2 2.9Å; R252-D254 PolarHBondContact O-N 3.09Å; R252-D254 VanDerWaalsContact O-N 3.09Å; D254-K257 WeakPolarHBondContact O-CB 3.44Å; D254-K257 PolarHBondContact O-N 3.03Å; D254-K258 VanDerWaalsContact O-CG 3.26Å; D254-K258 WeakPolarHBondContact O-CG 3.46Å; D254-K258 PolarHBondContact O-N 3.18Å; D254-K258 WeakPolarHBondContact OD2-CE 3.45Å; D254-K258 IonicContact OD2-NZ 3.61Å
255	F	78.9	Confident	76	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.022	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-40.2	179.1	-94	-65.6	0	0	0	112.7	L113 R252 P253 K257 K258 F259 V268 I272 Y351	L113-F255 HydrophobicContact CD2-CE1 4.09Å; R252-F255 HydrophobicContact CB-CD2 4.14Å; R252-F255 VanDerWaalsContact CZ-CD2 3.43Å; R252-F255 VanDerWaalsContact NH1-CE2 3.29Å; R252-F255 PolarHBondContact O-N 2.78Å; P253-F255 VanDerWaalsContact C-N 3.28Å; P253-F255 PolarHBondContact O-N 3.06Å; F255-K257 PolarHBondContact O-N 2.96Å; F255-K258 HydrophobicContact CD1-CD 4.29Å; F255-K258 PolarHBondContact O-N 2.99Å; F255-F259 HydrophobicContact CD1-CD2 4.11Å; F255-F259 AromaticContact CD1-CE2 3.8Å; F255-F259 HydrophobicContact CD1-CE2 3.8Å; F255-F259 HydrophobicContact CE1-CE2 4.12Å; F255-F259 WeakPolarHBondContact O-CD2 2.86Å; F255-F259 PolarHBondContact O-N 3Å; F255-F259 VanDerWaalsContact O-N 3.12Å; F255-V268 HydrophobicContact CB-CG1 4Å; F255-V268 HydrophobicContact CD1-CG1 4.46Å; F255-I272 HydrophobicContact CB-CD1 3.77Å; F255-I272 HydrophobicContact CD1-CD1 3.83Å; F255-I272 HydrophobicContact CD2-CD1 3.41Å; F255-I272 VanDerWaalsContact CD2-CD1 3.41Å; F255-I272 HydrophobicContact CE1-CD1 4.21Å; F255-I272 HydrophobicContact CE2-CD1 3.75Å; F255-I272 HydrophobicContact CG-CD1 3.42Å; F255-I272 VanDerWaalsContact CG-CD1 3.42Å; F255-I272 HydrophobicContact CZ-CD1 4.16Å; F255-Y351 HydrophobicContact CE1-CD1 4.07Å; F255-Y351 HydrophobicContact CE1-CE1 4.2Å; F255-Y351 HydrophobicContact CE1-CG 4.23Å; F255-Y351 HydrophobicContact CE2-CE2 4.1Å; F255-Y351 AromaticContact CZ-CD1 3.85Å; F255-Y351 HydrophobicContact CZ-CD1 3.85Å; F255-Y351 HydrophobicContact CZ-CD2 4.03Å; F255-Y351 AromaticContact CZ-CE1 3.54Å; F255-Y351 HydrophobicContact CZ-CE1 3.54Å; F255-Y351 AromaticContact CZ-CE2 3.73Å; F255-Y351 HydrophobicContact CZ-CE2 3.73Å; F255-Y351 HydrophobicContact CZ-CG 4.08Å; F255-Y351 AromaticContact CZ-CZ 3.47Å; F255-Y351 VanDerWaalsContact CZ-CZ 3.47Å
256	K	82.4	Confident	77.4	Confident	78 Å²	78	66 Å²	66	34%	0.339	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-39.3	173.3	-173.2	168.8	-175.4	163.8	0	110.9	P253 S260 D265 N266	P253-K256 PolarHBondContact O-N 3.17Å; K256-S260 WeakPolarHBondContact O-CB 2.96Å; K256-S260 PolarHBondContact O-N 2.61Å; K256-S260 VanDerWaalsContact O-N 3.13Å; K256-D265 WeakPolarHBondContact CE-O 3.38Å; K256-N266 PolarHBondContact NZ-OD1 2.93Å; K256-N266 VanDerWaalsContact NZ-OD1 3.12Å
257	K	86.6	Confident	78.9	Confident	169 Å²	169	62.4 Å²	62.4	74%	0.735	34%	0.342	S	S	*	.	H	α-helix	trans	-68	-43.8	175.9	-175.3	177.8	178.3	178	0	112.9	P253 D254 F255 F259 S260	P253-K257 PolarHBondContact O-N 3.08Å; D254-K257 WeakPolarHBondContact O-CB 3.44Å; D254-K257 PolarHBondContact O-N 3.03Å; F255-K257 PolarHBondContact O-N 2.96Å; K257-F259 VanDerWaalsContact C-N 3.25Å; K257-F259 PolarHBondContact O-N 3.06Å; K257-S260 WeakPolarHBondContact O-CB 2.99Å; K257-S260 PolarHBondContact O-N 2.93Å; K257-S260 PolarHBondContact O-OG 2.7Å
258	K	89.4	Confident	80.4	Confident	30 Å²	30	60.3 Å²	60.3	13%	0.13	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-38.1	179.2	-72.7	171.3	-156.9	-65.9	0	112	Q116 D254 F255 A354 D355	Q116-K258 PolarHBondContact NE2-O 3.46Å; D254-K258 VanDerWaalsContact O-CG 3.26Å; D254-K258 WeakPolarHBondContact O-CG 3.46Å; D254-K258 PolarHBondContact O-N 3.18Å; D254-K258 WeakPolarHBondContact OD2-CE 3.45Å; D254-K258 IonicContact OD2-NZ 3.61Å; F255-K258 HydrophobicContact CD1-CD 4.29Å; F255-K258 PolarHBondContact O-N 2.99Å; K258-A354 HydrophobicContact CB-CB 4.07Å; K258-A354 HydrophobicContact CD-CB 4.1Å; K258-A354 HydrophobicContact CG-CB 4.45Å; K258-D355 IonicContact NZ-OD1 3.9Å; K258-D355 PolarHBondContact NZ-OD1 3.02Å; K258-D355 IonicContact NZ-OD2 2.94Å; K258-D355 PolarHBondContact NZ-OD2 3.29Å
259	F	93	Very high	81.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	10.8	-177.3	-72.7	-91.4	0	0	0	114.2	M64 L113 Q116 F255 K257 S261 M262 F263 V268 A354	M64-F259 HydrophobicContact CE-CD1 4.17Å; M64-F259 HydrophobicContact CE-CE1 4.04Å; L113-F259 HydrophobicContact CD2-CZ 4.43Å; L113-F259 WeakPolarHBondContact O-CZ 3.37Å; Q116-F259 HydrophobicContact CG-CD1 4.08Å; Q116-F259 HydrophobicContact CG-CE1 4Å; F255-F259 HydrophobicContact CD1-CD2 4.11Å; F255-F259 AromaticContact CD1-CE2 3.8Å; F255-F259 HydrophobicContact CD1-CE2 3.8Å; F255-F259 HydrophobicContact CE1-CE2 4.12Å; F255-F259 WeakPolarHBondContact O-CD2 2.86Å; F255-F259 PolarHBondContact O-N 3Å; F255-F259 VanDerWaalsContact O-N 3.12Å; K257-F259 VanDerWaalsContact C-N 3.25Å; K257-F259 PolarHBondContact O-N 3.06Å; F259-S261 PolarHBondContact O-N 2.8Å; F259-S261 VanDerWaalsContact O-N 3.13Å; F259-M262 HydrophobicContact CD1-SD 4.19Å; F259-M262 PolarHBondContact O-N 3.25Å; F259-F263 HydrophobicContact CB-CD2 4.27Å; F259-F263 PolarHBondContact O-N 3.18Å; F259-V268 HydrophobicContact CB-CB 4.49Å; F259-V268 HydrophobicContact CB-CG1 4.37Å; F259-V268 HydrophobicContact CB-CG2 3.41Å; F259-V268 VanDerWaalsContact CB-CG2 3.41Å; F259-V268 HydrophobicContact CD2-CG1 3.92Å; F259-V268 HydrophobicContact CD2-CG2 4.41Å; F259-V268 HydrophobicContact CG-CG1 4.25Å; F259-V268 HydrophobicContact CG-CG2 3.9Å; F259-A354 HydrophobicContact CD2-CB 4.5Å; F259-A354 HydrophobicContact CE2-CB 3.7Å; F259-A354 HydrophobicContact CZ-CB 3.85Å
260	S	92.2	Very high	83.3	Confident	78 Å²	78	60.3 Å²	60.3	55%	0.545	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.2	-175.5	68.7	0	0	0	0	114.1	K256 K257 M262 F263	K256-S260 WeakPolarHBondContact O-CB 2.96Å; K256-S260 PolarHBondContact O-N 2.61Å; K256-S260 VanDerWaalsContact O-N 3.13Å; K257-S260 WeakPolarHBondContact O-CB 2.99Å; K257-S260 PolarHBondContact O-N 2.93Å; K257-S260 PolarHBondContact O-OG 2.7Å; S260-M262 VanDerWaalsContact C-N 3.29Å; S260-F263 WeakPolarHBondContact CA-O 3.46Å
261	S	90.8	Very high	85	Confident	97 Å²	97	55.6 Å²	55.6	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.7	173.6	55.3	0	0	0	0	113.2	F259	F259-S261 PolarHBondContact O-N 2.8Å; F259-S261 VanDerWaalsContact O-N 3.13Å
262	M	91.6	Very high	86.6	Confident	45 Å²	45	50.7 Å²	50.7	22%	0.222	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-41.3	179.9	-61.3	-178.7	76.6	0	0	111.7	C67 A115 Q116 F259 S260	C67-M262 HydrophobicContact CB-CE 3.41Å; C67-M262 VanDerWaalsContact CB-CE 3.41Å; A115-M262 HydrophobicContact CB-CE 3.71Å; A115-M262 HydrophobicContact CB-SD 4.13Å; Q116-M262 HydrophobicContact CB-SD 4.25Å; Q116-M262 HydrophobicContact CG-CG 4.17Å; Q116-M262 HydrophobicContact CG-SD 3.21Å; Q116-M262 WeakPolarHBondContact CG-SD 3.46Å; F259-M262 HydrophobicContact CD1-SD 4.19Å; F259-M262 PolarHBondContact O-N 3.25Å; S260-M262 VanDerWaalsContact C-N 3.29Å
263	F	93.8	Very high	87.6	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.066	26%	0.262	C	S	.	.			trans	-129.9	130	-172	-51.7	-69.3	0	0	0	110.7	R63 M64 C67 F259 S260 T267 V268	R63-F263 WeakPolarHBondContact O-CE1 3.46Å; M64-F263 HydrophobicContact CE-CE2 4.06Å; M64-F263 VanDerWaalsContact O-CZ 3.31Å; M64-F263 WeakPolarHBondContact O-CZ 3.41Å; M64-F263 HydrophobicContact SD-CD2 4.32Å; M64-F263 HydrophobicContact SD-CE2 3.86Å; M64-F263 HydrophobicContact SD-CZ 4.41Å; C67-F263 WeakPolarHBondContact SG-CE1 3.18Å; F259-F263 HydrophobicContact CB-CD2 4.27Å; F259-F263 PolarHBondContact O-N 3.18Å; S260-F263 WeakPolarHBondContact CA-O 3.46Å; F263-T267 HydrophobicContact CD1-CG2 3.94Å; F263-T267 HydrophobicContact CD2-CG2 4.44Å; F263-T267 HydrophobicContact CE1-CG2 4.01Å; F263-T267 HydrophobicContact CG-CG2 4.18Å; F263-T267 HydrophobicContact CZ-CG2 4.32Å; F263-V268 HydrophobicContact CB-CG2 4.33Å; F263-V268 HydrophobicContact CD2-CG2 3.61Å; F263-V268 HydrophobicContact CE2-CG2 4.38Å; F263-V268 HydrophobicContact CG-CG2 4.29Å
264	S	89.5	Confident	88.5	Confident	116 Å²	116	44.2 Å²	44.2	81%	0.811	24%	0.242	S	C	*	.	S	Bend	trans	-96.3	-13.6	172.3	56	0	0	0	0	112.9
265	D	90.3	Very high	89.2	Confident	83 Å²	83	42 Å²	42	44%	0.444	23%	0.23	S	C	.	.	S	Bend	trans	-97.5	-154.4	-175.1	67	14.8	0	0	0	112.4	K256 T267	K256-D265 WeakPolarHBondContact CE-O 3.38Å; D265-T267 VanDerWaalsContact CG-OG1 3.29Å; D265-T267 WeakPolarHBondContact OD1-CB 3Å; D265-T267 PolarHBondContact OD1-N 2.83Å; D265-T267 PolarHBondContact OD1-OG1 2.81Å; D265-T267 PolarHBondContact OD2-OG1 3.04Å
266	N	88.4	Confident	89.4	Confident	58 Å²	58	42.1 Å²	42.1	31%	0.31	23%	0.231	S	C	.	.	S	Bend	trans	-98	8.7	-177.6	-65.5	-22.5	0	0	0	113.6	Q249 K256 V268 S269 E270	Q249-N266 PolarHBondContact NE2-ND2 3.41Å; Q249-N266 PolarHBondContact NE2-OD1 2.9Å; Q249-N266 VanDerWaalsContact NE2-OD1 3.11Å; K256-N266 PolarHBondContact NZ-OD1 2.93Å; K256-N266 VanDerWaalsContact NZ-OD1 3.12Å; N266-V268 VanDerWaalsContact C-N 3.25Å; N266-V268 PolarHBondContact O-N 3.17Å; N266-V268 VanDerWaalsContact O-N 3.13Å; N266-S269 PolarHBondContact O-N 3.1Å; N266-E270 HydrophobicContact CB-CG 4.38Å; N266-E270 PolarHBondContact O-N 3.28Å
267	T	92.3	Very high	89.5	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-46.4	-48.1	-176.1	-70.3	0	0	0	0	112.6	R63 M64 F263 D265 S269 E270 Y271	R63-T267 HydrophobicContact CB-CG2 3.61Å; M64-T267 HydrophobicContact CG-CG2 4.04Å; M64-T267 HydrophobicContact SD-CG2 3.78Å; F263-T267 HydrophobicContact CD1-CG2 3.94Å; F263-T267 HydrophobicContact CD2-CG2 4.44Å; F263-T267 HydrophobicContact CE1-CG2 4.01Å; F263-T267 HydrophobicContact CG-CG2 4.18Å; F263-T267 HydrophobicContact CZ-CG2 4.32Å; D265-T267 VanDerWaalsContact CG-OG1 3.29Å; D265-T267 WeakPolarHBondContact OD1-CB 3Å; D265-T267 PolarHBondContact OD1-N 2.83Å; D265-T267 PolarHBondContact OD1-OG1 2.81Å; D265-T267 PolarHBondContact OD2-OG1 3.04Å; T267-S269 PolarHBondContact O-N 3.08Å; T267-E270 PolarHBondContact O-N 3.06Å; T267-Y271 WeakPolarHBondContact O-CB 3.22Å; T267-Y271 PolarHBondContact O-N 2.78Å
268	V	90.7	Very high	89.3	Confident	5 Å²	5	32 Å²	32	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-42.5	-177.5	-177.4	0	0	0	0	111.7	M64 F255 F259 F263 N266 I272	M64-V268 HydrophobicContact CE-CG2 4.45Å; M64-V268 HydrophobicContact SD-CB 4.23Å; M64-V268 HydrophobicContact SD-CG2 3.84Å; F255-V268 HydrophobicContact CB-CG1 4Å; F255-V268 HydrophobicContact CD1-CG1 4.46Å; F259-V268 HydrophobicContact CB-CB 4.49Å; F259-V268 HydrophobicContact CB-CG1 4.37Å; F259-V268 HydrophobicContact CB-CG2 3.41Å; F259-V268 VanDerWaalsContact CB-CG2 3.41Å; F259-V268 HydrophobicContact CD2-CG1 3.92Å; F259-V268 HydrophobicContact CD2-CG2 4.41Å; F259-V268 HydrophobicContact CG-CG1 4.25Å; F259-V268 HydrophobicContact CG-CG2 3.9Å; F263-V268 HydrophobicContact CB-CG2 4.33Å; F263-V268 HydrophobicContact CD2-CG2 3.61Å; F263-V268 HydrophobicContact CE2-CG2 4.38Å; F263-V268 HydrophobicContact CG-CG2 4.29Å; N266-V268 VanDerWaalsContact C-N 3.25Å; N266-V268 PolarHBondContact O-N 3.17Å; N266-V268 VanDerWaalsContact O-N 3.13Å; V268-I272 HydrophobicContact CG1-CD1 3.93Å; V268-I272 WeakPolarHBondContact O-CB 3.45Å; V268-I272 VanDerWaalsContact O-CG1 3.26Å; V268-I272 WeakPolarHBondContact O-CG1 3.11Å; V268-I272 PolarHBondContact O-N 3.46Å
269	S	87.4	Confident	89	Confident	1 Å²	1	34 Å²	34	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-38.4	-179.7	-57.5	0	0	0	0	111.8	Q249 N266 T267 Y273	Q249-S269 WeakPolarHBondContact CG-OG 3.11Å; N266-S269 PolarHBondContact O-N 3.1Å; T267-S269 PolarHBondContact O-N 3.08Å; S269-Y273 VanDerWaalsContact O-CB 3.25Å; S269-Y273 WeakPolarHBondContact O-CB 3.46Å; S269-Y273 PolarHBondContact O-N 3.25Å
270	E	89.6	Confident	88.6	Confident	61 Å²	61	37.1 Å²	37.1	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-43.1	175	-71.1	-179.4	173	0	0	111.5	R63 N266 T267 Y273 H274	R63-E270 IonicContact CZ-OE2 3.51Å; R63-E270 IonicContact NE-OE2 3.6Å; R63-E270 IonicContact NH2-OE2 2.68Å; R63-E270 PolarHBondContact NH2-OE2 2.75Å; N266-E270 HydrophobicContact CB-CG 4.38Å; N266-E270 PolarHBondContact O-N 3.28Å; T267-E270 PolarHBondContact O-N 3.06Å; E270-Y273 PolarHBondContact O-N 2.92Å; E270-H274 PolarHBondContact O-CD2 3.09Å; E270-H274 PolarHBondContact O-N 2.73Å
271	Y	93.1	Very high	88.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-52.6	174.9	177.6	-116.2	0	0	0	111.6	L57 A60 E61 M64 G110 V111 G112 L113 T267 Y273 H274 L275	L57-Y271 HydrophobicContact CD1-CD2 4.29Å; L57-Y271 HydrophobicContact CD1-CE2 4.13Å; A60-Y271 HydrophobicContact CB-CD2 4.34Å; E61-Y271 HydrophobicContact CB-CD2 4.16Å; E61-Y271 HydrophobicContact CB-CE2 3.77Å; E61-Y271 HydrophobicContact CG-CE2 3.95Å; M64-Y271 VanDerWaalsContact CG-CB 3.5Å; M64-Y271 HydrophobicContact CG-CD1 3.7Å; M64-Y271 HydrophobicContact CG-CD2 4.13Å; M64-Y271 HydrophobicContact CG-CE1 4.44Å; M64-Y271 HydrophobicContact CG-CG 3.5Å; M64-Y271 HydrophobicContact SD-CD1 4.38Å; G110-Y271 VanDerWaalsContact C-OH 3.31Å; G110-Y271 WeakPolarHBondContact CA-OH 3.41Å; V111-Y271 PolarHBondContact N-OH 3.07Å; G112-Y271 PolarHBondContact N-OH 3.1Å; L113-Y271 HydrophobicContact CD2-CE1 4.4Å; L113-Y271 HydrophobicContact CG-CE1 4.41Å; T267-Y271 WeakPolarHBondContact O-CB 3.22Å; T267-Y271 PolarHBondContact O-N 2.78Å; Y271-Y273 PolarHBondContact O-N 3.31Å; Y271-H274 PolarHBondContact O-N 3.44Å; Y271-L275 HydrophobicContact CE1-CD2 4.16Å; Y271-L275 WeakPolarHBondContact O-CB 3.45Å; Y271-L275 PolarHBondContact O-N 3.34Å
272	I	88.8	Confident	88.6	Confident	17 Å²	17	29 Å²	29	9%	0.087	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-39.5	177.7	-69.6	167.8	0	0	0	111	L113 V248 F255 V268 N276	L113-I272 HydrophobicContact CD2-CG1 4.49Å; V248-I272 HydrophobicContact CG1-CB 4.26Å; V248-I272 HydrophobicContact CG1-CG2 3.89Å; F255-I272 HydrophobicContact CB-CD1 3.77Å; F255-I272 HydrophobicContact CD1-CD1 3.83Å; F255-I272 HydrophobicContact CD2-CD1 3.41Å; F255-I272 VanDerWaalsContact CD2-CD1 3.41Å; F255-I272 HydrophobicContact CE1-CD1 4.21Å; F255-I272 HydrophobicContact CE2-CD1 3.75Å; F255-I272 HydrophobicContact CG-CD1 3.42Å; F255-I272 VanDerWaalsContact CG-CD1 3.42Å; F255-I272 HydrophobicContact CZ-CD1 4.16Å; V268-I272 HydrophobicContact CG1-CD1 3.93Å; V268-I272 WeakPolarHBondContact O-CB 3.45Å; V268-I272 VanDerWaalsContact O-CG1 3.26Å; V268-I272 WeakPolarHBondContact O-CG1 3.11Å; V268-I272 PolarHBondContact O-N 3.46Å; I272-N276 WeakPolarHBondContact O-CB 3.36Å; I272-N276 PolarHBondContact O-N 3.26Å; I272-N276 PolarHBondContact O-ND2 3.37Å
273	Y	86.4	Confident	88.5	Confident	1 Å²	1	27.1 Å²	27.1	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-61.4	176.2	169.6	-101.4	0	0	0	111.2	P51 L237 G241 P245 S269 E270 Y271 L275 N276 V277	P51-Y273 VanDerWaalsContact CD-OH 3.23Å; P51-Y273 WeakPolarHBondContact CD-OH 3.43Å; P51-Y273 HydrophobicContact CG-CE1 4.5Å; L237-Y273 HydrophobicContact CD1-CD2 4.05Å; L237-Y273 HydrophobicContact CD2-CD2 4.09Å; L237-Y273 HydrophobicContact CG-CD2 4.01Å; L237-Y273 HydrophobicContact CG-CE2 4.34Å; G241-Y273 PolarHBondContact O-OH 3.26Å; G241-Y273 VanDerWaalsContact O-OH 3.11Å; P245-Y273 HydrophobicContact CG-CD1 3.76Å; P245-Y273 HydrophobicContact CG-CD2 4.22Å; P245-Y273 HydrophobicContact CG-CE1 4.19Å; P245-Y273 HydrophobicContact CG-CG 3.78Å; S269-Y273 VanDerWaalsContact O-CB 3.25Å; S269-Y273 WeakPolarHBondContact O-CB 3.46Å; S269-Y273 PolarHBondContact O-N 3.25Å; E270-Y273 PolarHBondContact O-N 2.92Å; Y271-Y273 PolarHBondContact O-N 3.31Å; Y273-L275 PolarHBondContact O-N 3.43Å; Y273-N276 PolarHBondContact O-N 3.32Å; Y273-V277 HydrophobicContact CD1-CG2 4.3Å; Y273-V277 HydrophobicContact CD2-CG1 3.73Å; Y273-V277 HydrophobicContact CD2-CG2 4.43Å; Y273-V277 HydrophobicContact CE1-CG2 3.88Å; Y273-V277 HydrophobicContact CE2-CB 4.25Å; Y273-V277 HydrophobicContact CE2-CG1 3.31Å; Y273-V277 HydrophobicContact CE2-CG2 4.02Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 3.36Å
274	H	89.3	Confident	88.2	Confident	16 Å²	16	29.3 Å²	29.3	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-30.7	-176.3	-74.3	-61.7	0	0	0	113	P51 T52 L57 E270 Y271 N276 Q278	P51-H274 PolarHBondContact O-CE1 2.84Å; T52-H274 PolarHBondContact OG1-ND1 3.46Å; L57-H274 HydrophobicContact CB-CB 4.2Å; L57-H274 HydrophobicContact CD1-CB 4.02Å; E270-H274 PolarHBondContact O-CD2 3.09Å; E270-H274 PolarHBondContact O-N 2.73Å; Y271-H274 PolarHBondContact O-N 3.44Å; H274-N276 VanDerWaalsContact C-N 3.33Å; H274-Q278 VanDerWaalsContact O-CG 3.28Å; H274-Q278 WeakPolarHBondContact O-CG 3.38Å; H274-Q278 PolarHBondContact O-NE2 3.35Å
275	L	88.2	Confident	88.3	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-38	176.1	-180	66.3	0	0	0	112.5	L57 G108 R140 Y271 Y273	L57-L275 HydrophobicContact CD1-CB 4.28Å; G108-L275 VanDerWaalsContact O-CD2 3.22Å; G108-L275 WeakPolarHBondContact O-CD2 3.39Å; R140-L275 PolarHBondContact NH2-O 3.5Å; Y271-L275 HydrophobicContact CE1-CD2 4.16Å; Y271-L275 WeakPolarHBondContact O-CB 3.45Å; Y271-L275 PolarHBondContact O-N 3.34Å; Y273-L275 PolarHBondContact O-N 3.43Å
276	N	84.3	Confident	88.4	Confident	8 Å²	8	21.2 Å²	21.2	4%	0.043	12%	0.121	C	C	.	.	H	α-helix	trans	-105.7	-12.7	-167.8	-72.8	-70.4	0	0	0	114.6	G108 L234 L237 R238 I272 Y273 H274 Q278	G108-N276 WeakPolarHBondContact CA-OD1 3.48Å; G108-N276 PolarHBondContact O-ND2 2.86Å; G108-N276 PolarHBondContact O-OD1 3.18Å; L234-N276 HydrophobicContact CB-CB 4.42Å; L234-N276 HydrophobicContact CD1-CB 3.94Å; L234-N276 WeakPolarHBondContact CD1-OD1 3.37Å; L234-N276 HydrophobicContact CD2-CB 3.75Å; L234-N276 HydrophobicContact CG-CB 4.21Å; L237-N276 HydrophobicContact CD2-CB 3.94Å; R238-N276 PolarHBondContact NH2-O 3.02Å; I272-N276 WeakPolarHBondContact O-CB 3.36Å; I272-N276 PolarHBondContact O-N 3.26Å; I272-N276 PolarHBondContact O-ND2 3.37Å; Y273-N276 PolarHBondContact O-N 3.32Å; H274-N276 VanDerWaalsContact C-N 3.33Å; N276-Q278 VanDerWaalsContact C-N 3.34Å
277	V	83.1	Confident	88.3	Confident	7 Å²	7	24.2 Å²	24.2	4%	0.042	13%	0.131	C	C	.	.	S	Bend	trans	-88.1	2.1	174	-66.2	0	0	0	0	114.9	T52 L237 R238 Y273	T52-V277 VanDerWaalsContact CB-CG2 3.49Å; T52-V277 HydrophobicContact CG2-CB 4.47Å; T52-V277 HydrophobicContact CG2-CG2 3.63Å; L237-V277 HydrophobicContact CB-CG1 4.28Å; L237-V277 HydrophobicContact CD2-CG1 3.81Å; L237-V277 HydrophobicContact CG-CG1 3.65Å; R238-V277 HydrophobicContact CG-CB 4.09Å; R238-V277 HydrophobicContact CG-CG1 4.17Å; Y273-V277 HydrophobicContact CD1-CG2 4.3Å; Y273-V277 HydrophobicContact CD2-CG1 3.73Å; Y273-V277 HydrophobicContact CD2-CG2 4.43Å; Y273-V277 HydrophobicContact CE1-CG2 3.88Å; Y273-V277 HydrophobicContact CE2-CB 4.25Å; Y273-V277 HydrophobicContact CE2-CG1 3.31Å; Y273-V277 HydrophobicContact CE2-CG2 4.02Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 3.36Å
278	Q	83.6	Confident	88.3	Confident	27 Å²	27	24.5 Å²	24.5	13%	0.126	13%	0.133	C	C	.	.	S	Bend	trans	-65.9	174.5	175.7	-59.3	-59.3	-25.7	0	0	112.7	T52 L57 R238 H274 N276	T52-Q278 PolarHBondContact OG1-NE2 3.12Å; T52-Q278 VanDerWaalsContact OG1-NE2 3.14Å; L57-Q278 HydrophobicContact CD2-CG 4.34Å; R238-Q278 PolarHBondContact NE-O 2.87Å; R238-Q278 PolarHBondContact NH2-O 3.3Å; H274-Q278 VanDerWaalsContact O-CG 3.28Å; H274-Q278 WeakPolarHBondContact O-CG 3.38Å; H274-Q278 PolarHBondContact O-NE2 3.35Å; N276-Q278 VanDerWaalsContact C-N 3.34Å
279	S	83.5	Confident	88.4	Confident	71 Å²	71	24.5 Å²	24.5	50%	0.497	13%	0.133	S	C	.	.			trans	-56.6	131.1	174.6	-61.6	0	0	0	0	112.1	R140 S281	R140-S279 WeakPolarHBondContact CD-O 3.37Å; R140-S279 PolarHBondContact NH1-O 3.14Å; S279-S281 PolarHBondContact O-N 2.78Å
280	P	83.9	Confident	88.3	Confident	66 Å²	66	25.7 Å²	25.7	43%	0.429	14%	0.14	S	C	.	.	S	Bend	trans	-70.9	115.1	-178.6	28.3	-33.8	0	0	0	110.4	E283 T284	P280-E283 HydrophobicContact CB-CB 4.44Å; P280-T284 PolarHBondContact O-OG1 3.04Å
281	S	92.3	Very high	87.8	Confident	5 Å²	5	24.2 Å²	24.2	4%	0.035	14%	0.141	C	C	.	.	S	Bend	trans	-132	-73.4	-179.8	163.6	0	0	0	0	110.4	G134 R140 P141 F143 S279 E283 T284 A285	G134-S281 WeakPolarHBondContact CA-OG 3.41Å; R140-S281 VanDerWaalsContact C-OG 3.25Å; R140-S281 WeakPolarHBondContact CA-OG 3.29Å; P141-S281 WeakPolarHBondContact O-CB 3.36Å; P141-S281 PolarHBondContact O-OG 2.67Å; F143-S281 WeakPolarHBondContact CE2-OG 3.06Å; S279-S281 PolarHBondContact O-N 2.78Å; S281-E283 PolarHBondContact O-N 3.13Å; S281-E283 VanDerWaalsContact O-N 3.13Å; S281-T284 WeakPolarHBondContact O-CA 3.25Å; S281-T284 WeakPolarHBondContact O-CB 3.35Å; S281-T284 PolarHBondContact O-N 2.59Å; S281-A285 PolarHBondContact O-N 2.83Å; S281-A285 VanDerWaalsContact O-N 3.09Å
282	G	91.1	Very high	86.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-25.8	174.5	0	0	0	0	0	112.1	G134 F135 A285 F286	G134-G282 PolarHBondContact O-N 3.13Å; F135-G282 WeakPolarHBondContact CZ-O 3.49Å; G282-A285 WeakPolarHBondContact O-CB 3.35Å; G282-A285 PolarHBondContact O-N 3.23Å; G282-F286 WeakPolarHBondContact O-CB 3.32Å; G282-F286 PolarHBondContact O-N 3.26Å
283	E	88.6	Confident	85.6	Confident	5 Å²	5	34.3 Å²	34.3	2%	0.023	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-39.5	173.2	-65	158.1	-114.9	0	0	113.1	F107 F135 R140 N232 L234 R238 P280 S281 A285 K287	F107-E283 HydrophobicContact CE2-CB 4.23Å; F107-E283 HydrophobicContact CE2-CG 3.91Å; F107-E283 HydrophobicContact CZ-CG 4.03Å; F135-E283 HydrophobicContact CE1-CG 4.1Å; R140-E283 IonicContact NH1-OE1 3.73Å; N232-E283 WeakPolarHBondContact ND2-CB 3.18Å; N232-E283 PolarHBondContact ND2-OE2 3.13Å; N232-E283 PolarHBondContact OD1-OE2 3.49Å; L234-E283 WeakPolarHBondContact CB-OE2 3.45Å; L234-E283 VanDerWaalsContact CD1-CD 3.41Å; L234-E283 HydrophobicContact CD1-CG 3.78Å; L234-E283 WeakPolarHBondContact CD1-OE2 3.12Å; R238-E283 IonicContact CZ-OE1 3.82Å; R238-E283 IonicContact CZ-OE2 3.23Å; R238-E283 VanDerWaalsContact CZ-OE2 3.23Å; R238-E283 IonicContact NH1-OE2 2.78Å; R238-E283 PolarHBondContact NH1-OE2 2.97Å; R238-E283 IonicContact NH2-OE1 2.7Å; R238-E283 PolarHBondContact NH2-OE1 2.96Å; R238-E283 IonicContact NH2-OE2 2.78Å; R238-E283 PolarHBondContact NH2-OE2 3.4Å; P280-E283 HydrophobicContact CB-CB 4.44Å; S281-E283 PolarHBondContact O-N 3.13Å; S281-E283 VanDerWaalsContact O-N 3.13Å; E283-A285 VanDerWaalsContact C-N 3.34Å; E283-K287 WeakPolarHBondContact O-CB 3.42Å; E283-K287 PolarHBondContact O-N 3.2Å
284	T	87.6	Confident	84.9	Confident	61 Å²	61	36 Å²	36	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-67.5	-40.4	174.9	-53.9	0	0	0	0	110.1	P280 S281 K287 S288	P280-T284 PolarHBondContact O-OG1 3.04Å; S281-T284 WeakPolarHBondContact O-CA 3.25Å; S281-T284 WeakPolarHBondContact O-CB 3.35Å; S281-T284 PolarHBondContact O-N 2.59Å; T284-K287 PolarHBondContact O-N 2.82Å; T284-S288 PolarHBondContact O-N 3.26Å
285	A	92.5	Very high	84.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-49.6	174.9	0	0	0	0	0	111.5	F143 A150 F154 S281 G282 E283 K287 S288 M289	F143-A285 HydrophobicContact CB-CB 3.65Å; F143-A285 HydrophobicContact CD1-CB 3.48Å; F143-A285 VanDerWaalsContact CD1-CB 3.48Å; F143-A285 HydrophobicContact CD2-CB 3.83Å; F143-A285 HydrophobicContact CE1-CB 3.98Å; F143-A285 HydrophobicContact CE2-CB 4.3Å; F143-A285 HydrophobicContact CG-CB 3.39Å; F143-A285 HydrophobicContact CZ-CB 4.35Å; A150-A285 HydrophobicContact CB-CB 4.45Å; F154-A285 HydrophobicContact CE2-CB 3.46Å; F154-A285 VanDerWaalsContact CE2-CB 3.46Å; F154-A285 HydrophobicContact CZ-CB 3.73Å; S281-A285 PolarHBondContact O-N 2.83Å; S281-A285 VanDerWaalsContact O-N 3.09Å; G282-A285 WeakPolarHBondContact O-CB 3.35Å; G282-A285 PolarHBondContact O-N 3.23Å; E283-A285 VanDerWaalsContact C-N 3.34Å; A285-K287 VanDerWaalsContact C-N 3.32Å; A285-K287 PolarHBondContact O-N 2.9Å; A285-S288 WeakPolarHBondContact O-CA 3.21Å; A285-S288 WeakPolarHBondContact O-CB 3.5Å; A285-S288 PolarHBondContact O-N 2.86Å; A285-S288 PolarHBondContact O-OG 2.82Å; A285-M289 WeakPolarHBondContact O-CG 3.36Å; A285-M289 PolarHBondContact O-N 2.78Å
286	F	91.3	Very high	84.4	Confident	30 Å²	30	39.7 Å²	39.7	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-43.4	176.4	-175.2	-105.6	0	0	0	111.9	F107 L177 W202 G282 S288 M289 T290	F107-F286 HydrophobicContact CD2-CB 3.76Å; F107-F286 AromaticContact CD2-CD1 3.38Å; F107-F286 HydrophobicContact CD2-CD1 3.38Å; F107-F286 HydrophobicContact CD2-CD2 4.2Å; F107-F286 HydrophobicContact CD2-CE1 4.01Å; F107-F286 AromaticContact CD2-CG 3.49Å; F107-F286 HydrophobicContact CD2-CG 3.49Å; F107-F286 VanDerWaalsContact CD2-CG 3.49Å; F107-F286 HydrophobicContact CE2-CB 3.89Å; F107-F286 AromaticContact CE2-CD1 3.55Å; F107-F286 HydrophobicContact CE2-CD1 3.55Å; F107-F286 HydrophobicContact CE2-CE1 4.37Å; F107-F286 AromaticContact CE2-CG 3.91Å; F107-F286 HydrophobicContact CE2-CG 3.91Å; F107-F286 HydrophobicContact CG-CD1 4.07Å; F107-F286 HydrophobicContact CG-CE1 4.24Å; F107-F286 HydrophobicContact CG-CG 4.37Å; F107-F286 HydrophobicContact CZ-CD1 4.38Å; L177-F286 HydrophobicContact CB-CE2 4.39Å; L177-F286 HydrophobicContact CD1-CD2 3.73Å; L177-F286 HydrophobicContact CD1-CE2 3.96Å; L177-F286 HydrophobicContact CD2-CD2 3.78Å; L177-F286 HydrophobicContact CD2-CE2 4.42Å; L177-F286 HydrophobicContact CD2-CG 4.48Å; L177-F286 HydrophobicContact CG-CD2 4.22Å; L177-F286 HydrophobicContact CG-CE2 4.48Å; W202-F286 AromaticContact CD2-CE2 3.83Å; W202-F286 HydrophobicContact CD2-CE2 3.83Å; W202-F286 AromaticContact CD2-CZ 3.97Å; W202-F286 HydrophobicContact CD2-CZ 3.97Å; W202-F286 AromaticContact CE2-CE2 3.96Å; W202-F286 AromaticContact CE2-CZ 3.76Å; W202-F286 AromaticContact CE3-CE2 3.75Å; W202-F286 HydrophobicContact CE3-CE2 3.75Å; W202-F286 HydrophobicContact CE3-CZ 4.35Å; W202-F286 HydrophobicContact CG-CZ 4.45Å; W202-F286 AromaticContact CH2-CE2 3.89Å; W202-F286 HydrophobicContact CH2-CE2 3.89Å; W202-F286 HydrophobicContact CH2-CZ 4.3Å; W202-F286 HydrophobicContact CZ2-CE2 4Å; W202-F286 AromaticContact CZ2-CZ 3.94Å; W202-F286 HydrophobicContact CZ2-CZ 3.94Å; W202-F286 HydrophobicContact CZ3-CD2 4.48Å; W202-F286 AromaticContact CZ3-CE2 3.78Å; W202-F286 HydrophobicContact CZ3-CE2 3.78Å; G282-F286 WeakPolarHBondContact O-CB 3.32Å; G282-F286 PolarHBondContact O-N 3.26Å; F286-S288 VanDerWaalsContact C-N 3.3Å; F286-S288 PolarHBondContact O-N 3.32Å; F286-M289 HydrophobicContact CD2-CE 4.31Å; F286-M289 PolarHBondContact O-N 2.78Å; F286-T290 WeakPolarHBondContact O-CB 3.4Å; F286-T290 PolarHBondContact O-N 2.69Å; F286-T290 PolarHBondContact O-OG1 3.4Å
287	K	87.9	Confident	84.7	Confident	120 Å²	120	44.4 Å²	44.4	52%	0.522	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-40.3	173.4	-178.7	174.9	179.8	172.1	0	111.9	E283 T284 A285 M289 T290	E283-K287 WeakPolarHBondContact O-CB 3.42Å; E283-K287 PolarHBondContact O-N 3.2Å; T284-K287 PolarHBondContact O-N 2.82Å; A285-K287 VanDerWaalsContact C-N 3.32Å; A285-K287 PolarHBondContact O-N 2.9Å; K287-M289 VanDerWaalsContact C-N 3.29Å; K287-M289 PolarHBondContact O-N 2.7Å; K287-T290 PolarHBondContact O-N 3.2Å; K287-T290 VanDerWaalsContact O-O 3.08Å
288	S	91.1	Very high	85.1	Confident	11 Å²	11	47.2 Å²	47.2	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-35.3	177.9	80.4	0	0	0	0	112.5	A150 T284 A285 F286 T290 K297	A150-S288 VanDerWaalsContact CB-OG 3.28Å; A150-S288 WeakPolarHBondContact CB-OG 3.49Å; T284-S288 PolarHBondContact O-N 3.26Å; A285-S288 WeakPolarHBondContact O-CA 3.21Å; A285-S288 WeakPolarHBondContact O-CB 3.5Å; A285-S288 PolarHBondContact O-N 2.86Å; A285-S288 PolarHBondContact O-OG 2.82Å; F286-S288 VanDerWaalsContact C-N 3.3Å; F286-S288 PolarHBondContact O-N 3.32Å; S288-T290 VanDerWaalsContact C-N 3.31Å; S288-K297 WeakPolarHBondContact O-CD 3.29Å; S288-K297 VanDerWaalsContact O-CE 3.3Å; S288-K297 WeakPolarHBondContact O-CE 3.47Å; S288-K297 PolarHBondContact O-NZ 3.16Å
289	M	92.4	Very high	85.6	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-78.8	-11.3	176.4	-63.8	-174.2	-63.2	0	0	113.6	A150 E151 F154 L177 F180 W202 A285 F286 K287 K297	A150-M289 HydrophobicContact CB-CG 4.16Å; E151-M289 HydrophobicContact CB-SD 3.76Å; E151-M289 HydrophobicContact CG-SD 4.4Å; F154-M289 HydrophobicContact CD2-CE 4Å; F154-M289 HydrophobicContact CD2-SD 4.43Å; F154-M289 HydrophobicContact CE2-CE 3.65Å; L177-M289 HydrophobicContact CD1-CE 3.98Å; F180-M289 HydrophobicContact CE1-SD 4.46Å; W202-M289 HydrophobicContact CH2-CB 4.45Å; A285-M289 WeakPolarHBondContact O-CG 3.36Å; A285-M289 PolarHBondContact O-N 2.78Å; F286-M289 HydrophobicContact CD2-CE 4.31Å; F286-M289 PolarHBondContact O-N 2.78Å; K287-M289 VanDerWaalsContact C-N 3.29Å; K287-M289 PolarHBondContact O-N 2.7Å; M289-K297 PolarHBondContact O-N 3.26Å
290	T	86.6	Confident	86.1	Confident	26 Å²	26	43 Å²	43	16%	0.16	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-103.4	129.4	-175.9	-56.3	0	0	0	0	110.8	W202 F286 K287 S288 W295 K297	W202-T290 HydrophobicContact CZ2-CG2 4.21Å; W202-T290 WeakPolarHBondContact CZ2-OG1 3.38Å; F286-T290 WeakPolarHBondContact O-CB 3.4Å; F286-T290 PolarHBondContact O-N 2.69Å; F286-T290 PolarHBondContact O-OG1 3.4Å; K287-T290 PolarHBondContact O-N 3.2Å; K287-T290 VanDerWaalsContact O-O 3.08Å; S288-T290 VanDerWaalsContact C-N 3.31Å; T290-W295 CarbonylContact C-O 3.55Å; T290-W295 WeakPolarHBondContact CA-O 3.1Å; T290-K297 VanDerWaalsContact O-CE 3.29Å; T290-K297 WeakPolarHBondContact O-CE 3.38Å
291	G	77.5	Confident	86.5	Confident	29 Å²	29	41.3 Å²	41.3	30%	0.299	24%	0.235	S	C	.	.			trans	-91.6	-160.5	174.9	0	0	0	0	0	112.6	W295	G291-W295 PolarHBondContact N-O 3.29Å
292	S	72	Confident	86.5	Confident	105 Å²	105	46.2 Å²	46.2	73%	0.734	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-57.4	145.3	175.4	-59.8	0	0	0	0	111.3	G294 W295	S292-G294 PolarHBondContact O-N 2.79Å; S292-G294 VanDerWaalsContact O-N 3.07Å; S292-W295 VanDerWaalsContact O-CD1 3.25Å; S292-W295 PolarHBondContact O-N 3.19Å
293	C	64.9	Low	86.7	Confident	124 Å²	124	47 Å²	47	84%	0.838	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	59.6	15.6	176.4	-54.5	0	0	0	0	116.3
294	G	71	Confident	86.9	Confident	37 Å²	37	46.9 Å²	46.9	38%	0.381	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	88	7.5	176.2	0	0	0	0	0	114.9	W202 S292	W202-G294 PolarHBondContact NE1-O 2.84Å; S292-G294 PolarHBondContact O-N 2.79Å; S292-G294 VanDerWaalsContact O-N 3.07Å
295	W	79.3	Confident	87.2	Confident	92 Å²	92	50.1 Å²	50.1	35%	0.348	28%	0.275	S	S	.	.			trans	-75.3	151.3	177.3	-65.5	112.1	0	0	0	112.4	P205 V207 T290 G291 S292	P205-W295 HydrophobicContact CB-CE3 4.46Å; P205-W295 HydrophobicContact CB-CH2 4.08Å; P205-W295 HydrophobicContact CB-CZ3 3.55Å; P205-W295 HydrophobicContact CG-CH2 4.25Å; P205-W295 HydrophobicContact CG-CZ3 3.63Å; V207-W295 HydrophobicContact CG2-CB 3.58Å; V207-W295 HydrophobicContact CG2-CD2 4.37Å; V207-W295 HydrophobicContact CG2-CG 3.68Å; T290-W295 CarbonylContact C-O 3.55Å; T290-W295 WeakPolarHBondContact CA-O 3.1Å; G291-W295 PolarHBondContact N-O 3.29Å; S292-W295 VanDerWaalsContact O-CD1 3.25Å; S292-W295 PolarHBondContact O-N 3.19Å
296	A	87.8	Confident	87.4	Confident	5 Å²	5	55.2 Å²	55.2	4%	0.041	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-70.6	134.3	172	0	0	0	0	0	110.2	F180 W202 G203 R298	F180-A296 HydrophobicContact CE2-CB 4.22Å; W202-A296 HydrophobicContact CE3-CB 4.49Å; W202-A296 HydrophobicContact CH2-CB 3.49Å; W202-A296 VanDerWaalsContact CH2-CB 3.49Å; W202-A296 HydrophobicContact CZ2-CB 3.81Å; W202-A296 HydrophobicContact CZ3-CB 3.86Å; G203-A296 VanDerWaalsContact CA-CB 3.48Å; A296-R298 PolarHBondContact O-N 3.49Å
297	K	90.3	Very high	87.7	Confident	107 Å²	107	54 Å²	54	47%	0.465	29%	0.293	S	S	.	.	S	Bend	trans	-65.2	-22	171.8	-69.5	-173.2	-176.6	163.8	0	112.8	P147 S288 M289 T290	P147-K297 HydrophobicContact CB-CB 4.33Å; P147-K297 HydrophobicContact CB-CD 4.13Å; P147-K297 HydrophobicContact CG-CD 4.04Å; S288-K297 WeakPolarHBondContact O-CD 3.29Å; S288-K297 VanDerWaalsContact O-CE 3.3Å; S288-K297 WeakPolarHBondContact O-CE 3.47Å; S288-K297 PolarHBondContact O-NZ 3.16Å; M289-K297 PolarHBondContact O-N 3.26Å; T290-K297 VanDerWaalsContact O-CE 3.29Å; T290-K297 WeakPolarHBondContact O-CE 3.38Å
298	R	93	Very high	88.1	Confident	65 Å²	65	52.2 Å²	52.2	25%	0.245	29%	0.286	C	S	.	.	S	Bend	trans	-126.4	76.3	177.6	-63.4	-176.4	66.2	-133.5	4.4	109	E151 F180 A296 R303	E151-R298 IonicContact OE1-NH1 3.58Å; E151-R298 PolarHBondContact OE1-NH1 3.01Å; E151-R298 IonicContact OE2-CZ 3.88Å; E151-R298 IonicContact OE2-NH1 2.81Å; E151-R298 PolarHBondContact OE2-NH1 3.28Å; F180-R298 WeakPolarHBondContact CE2-O 3.36Å; A296-R298 PolarHBondContact O-N 3.49Å; R298-R303 VanDerWaalsContact NH1-NH1 3.19Å; R298-R303 PolarHBondContact O-NH2 2.87Å
299	P	92.8	Very high	88.3	Confident	11 Å²	11	54.9 Å²	54.9	7%	0.071	30%	0.304	C	S	.	.			trans	-59.9	146.3	-175.3	26.7	-34.9	0	0	0	111.3	G203 Q302 R303	G203-P299 CarbonylContact O-C 3.56Å; G203-P299 WeakPolarHBondContact O-CA 3.08Å; P299-Q302 HydrophobicContact CG-CB 4.37Å; P299-Q302 VanDerWaalsContact CG-CD 3.45Å; P299-Q302 HydrophobicContact CG-CG 3.89Å; P299-R303 PolarHBondContact O-NE 2.96Å
300	M	94.4	Very high	88.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-76	-32.1	-173.4	-166.5	57.8	67.2	0	0	112.4	F180 V183 S184 I187 G203 F204 Q302 R303 L304	F180-M300 HydrophobicContact CD2-CE 3.7Å; F180-M300 HydrophobicContact CE2-CE 3.79Å; F180-M300 HydrophobicContact CG-CE 4.14Å; F180-M300 HydrophobicContact CZ-CE 4.29Å; F180-M300 WeakPolarHBondContact O-CE 3.49Å; V183-M300 HydrophobicContact CB-CE 3.86Å; V183-M300 HydrophobicContact CB-CG 4.14Å; V183-M300 HydrophobicContact CB-SD 3.83Å; V183-M300 HydrophobicContact CG1-CE 4.12Å; V183-M300 HydrophobicContact CG1-CG 3.8Å; V183-M300 HydrophobicContact CG1-SD 3.39Å; V183-M300 WeakPolarHBondContact CG1-SD 3.47Å; S184-M300 WeakPolarHBondContact OG-CE 3.48Å; I187-M300 HydrophobicContact CD1-SD 4.04Å; G203-M300 PolarHBondContact O-N 3.37Å; F204-M300 HydrophobicContact CD1-CB 3.8Å; F204-M300 HydrophobicContact CD1-CG 4.05Å; F204-M300 HydrophobicContact CD2-CB 4.01Å; F204-M300 HydrophobicContact CE1-CB 3.93Å; F204-M300 HydrophobicContact CE1-CG 3.65Å; F204-M300 HydrophobicContact CE2-CB 4.05Å; F204-M300 HydrophobicContact CE2-CG 4.1Å; F204-M300 HydrophobicContact CG-CB 3.89Å; F204-M300 HydrophobicContact CZ-CB 4.05Å; F204-M300 HydrophobicContact CZ-CG 3.68Å; M300-Q302 PolarHBondContact O-N 2.86Å; M300-R303 CarbonylContact O-C 3.56Å; M300-R303 PolarHBondContact O-N 3.48Å; M300-L304 PolarHBondContact O-N 3.06Å
301	L	92.3	Very high	89	Confident	30 Å²	30	59.7 Å²	59.7	16%	0.157	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-59.3	-34.2	178.8	-66.7	175.6	0	0	0	112.2	F204 R303 I331 M334	F204-L301 HydrophobicContact CD1-CD2 4.37Å; F204-L301 WeakPolarHBondContact O-CG 3.32Å; F204-L301 PolarHBondContact O-N 3.5Å; L301-R303 PolarHBondContact O-N 3.39Å; L301-I331 HydrophobicContact CD2-CG1 3.74Å; L301-M334 HydrophobicContact CB-CE 4.03Å; L301-M334 HydrophobicContact CD2-CE 3.3Å; L301-M334 HydrophobicContact CG-CE 4.2Å
302	Q	92.8	Very high	90	Very high	107 Å²	107	59.4 Å²	59.4	50%	0.5	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-70.9	-9.4	177.1	-70.1	-179.2	-7.3	0	0	114.4	E206 P299 M300	E206-Q302 PolarHBondContact OE1-NE2 2.86Å; P299-Q302 HydrophobicContact CG-CB 4.37Å; P299-Q302 VanDerWaalsContact CG-CD 3.45Å; P299-Q302 HydrophobicContact CG-CG 3.89Å; M300-Q302 PolarHBondContact O-N 2.86Å
303	R	94.5	Very high	91.2	Very high	17 Å²	17	54.4 Å²	54.4	6%	0.064	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-126.3	0.3	-174	-57.2	-178.1	-69.3	149.8	-10.5	112.6	E151 F180 I187 R298 P299 M300 L301 D305 Q306	E151-R303 IonicContact OE1-CZ 3.05Å; E151-R303 IonicContact OE1-NH1 3.71Å; E151-R303 PolarHBondContact OE1-NH1 3.28Å; E151-R303 IonicContact OE1-NH2 2.61Å; E151-R303 IonicContact OE2-CZ 3.19Å; E151-R303 IonicContact OE2-NH1 3.62Å; E151-R303 IonicContact OE2-NH2 2.65Å; E151-R303 PolarHBondContact OE2-NH2 2.81Å; F180-R303 VanDerWaalsContact CE2-NH2 3.32Å; I187-R303 HydrophobicContact CD1-CB 4.32Å; I187-R303 WeakPolarHBondContact CD1-O 3.19Å; R298-R303 VanDerWaalsContact NH1-NH1 3.19Å; R298-R303 PolarHBondContact O-NH2 2.87Å; P299-R303 PolarHBondContact O-NE 2.96Å; M300-R303 CarbonylContact O-C 3.56Å; M300-R303 PolarHBondContact O-N 3.48Å; L301-R303 PolarHBondContact O-N 3.39Å; R303-D305 WeakPolarHBondContact CA-OD1 3.44Å; R303-D305 PolarHBondContact O-N 3.42Å; R303-Q306 VanDerWaalsContact O-CB 3.3Å; R303-Q306 WeakPolarHBondContact O-CB 3.44Å; R303-Q306 PolarHBondContact O-N 3.15Å
304	L	93.4	Very high	92.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-69.3	-22.2	-174	-165.2	73	0	0	0	112.3	V183 M300 Q306 L307 I313 I331 M334 R335	V183-L304 HydrophobicContact CG1-CD1 4.22Å; M300-L304 PolarHBondContact O-N 3.06Å; L304-Q306 PolarHBondContact O-N 3.34Å; L304-L307 HydrophobicContact CD1-CD2 4.16Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 2.81Å; L304-L307 VanDerWaalsContact O-N 3.15Å; L304-I313 HydrophobicContact CD1-CD1 4.39Å; L304-I331 HydrophobicContact CD2-CB 4.04Å; L304-I331 HydrophobicContact CD2-CG1 3.78Å; L304-I331 HydrophobicContact CD2-CG2 3.93Å; L304-M334 HydrophobicContact CB-CE 4.26Å; L304-M334 HydrophobicContact CD2-CB 4.37Å; L304-M334 HydrophobicContact CD2-CE 3.59Å; L304-R335 HydrophobicContact CD2-CG 3.96Å; L304-R335 HydrophobicContact CG-CG 4.38Å
305	D	93.9	Very high	94	Very high	130 Å²	130	46.7 Å²	46.7	70%	0.695	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-62.7	-25.2	170.8	65.4	-39	0	0	0	112.8	R303 L307	R303-D305 WeakPolarHBondContact CA-OD1 3.44Å; R303-D305 PolarHBondContact O-N 3.42Å; D305-L307 VanDerWaalsContact C-N 3.3Å
306	Q	96.4	Very high	94.8	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.5	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-77.8	-16	175.6	-55.3	171	30.8	0	0	112.6	I187 R303 L304 H308	I187-Q306 HydrophobicContact CD1-CB 4.42Å; I187-Q306 HydrophobicContact CG1-CB 4.31Å; I187-Q306 HydrophobicContact CG2-CB 3.74Å; R303-Q306 VanDerWaalsContact O-CB 3.3Å; R303-Q306 WeakPolarHBondContact O-CB 3.44Å; R303-Q306 PolarHBondContact O-N 3.15Å; L304-Q306 PolarHBondContact O-N 3.34Å; Q306-H308 PolarHBondContact O-N 3Å
307	L	97.2	Very high	95.1	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	-76.9	123	179	178.7	68.4	0	0	0	110.1	V183 A186 I187 L196 L304 D305 I311 I313 R335	V183-L307 HydrophobicContact CG1-CD2 4.38Å; A186-L307 HydrophobicContact CB-CD1 3.45Å; A186-L307 VanDerWaalsContact CB-CD1 3.45Å; I187-L307 HydrophobicContact CG1-CB 4Å; I187-L307 HydrophobicContact CG1-CD1 4.33Å; L196-L307 HydrophobicContact CD1-CD1 4.19Å; L196-L307 HydrophobicContact CD1-CD2 3.88Å; L304-L307 HydrophobicContact CD1-CD2 4.16Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 2.81Å; L304-L307 VanDerWaalsContact O-N 3.15Å; D305-L307 VanDerWaalsContact C-N 3.3Å; L307-I311 HydrophobicContact CD1-CB 4.39Å; L307-I311 HydrophobicContact CD1-CD1 3.88Å; L307-I311 HydrophobicContact CD1-CG2 4.43Å; L307-I313 HydrophobicContact CD2-CD1 3.68Å; L307-I313 HydrophobicContact CD2-CG1 4.28Å; L307-R335 PolarHBondContact O-NH1 3.08Å
308	H	96.9	Very high	95.1	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.38	19%	0.192	S	C	.	.			trans	-48	132.4	-178.2	-165.8	-86.9	0	0	0	112.2	P190 Q306 D310 I311 R335	P190-H308 HydrophobicContact CB-CB 3.72Å; Q306-H308 PolarHBondContact O-N 3Å; H308-D310 IonicContact CE1-OD2 2.9Å; H308-D310 PolarHBondContact CE1-OD2 2.81Å; H308-D310 VanDerWaalsContact CE1-OD2 3.26Å; H308-D310 PolarHBondContact ND1-N 3.04Å; H308-D310 IonicContact ND1-OD2 3.91Å; H308-D310 PolarHBondContact O-N 2.98Å; H308-I311 HydrophobicContact CB-CD1 3.88Å; H308-I311 HydrophobicContact CB-CG1 4.14Å; H308-I311 PolarHBondContact O-N 3.08Å; H308-I311 VanDerWaalsContact O-N 3.13Å; H308-R335 PolarHBondContact O-NH2 3.49Å
309	P	95.3	Very high	94.9	Very high	68 Å²	68	37.5 Å²	37.5	44%	0.442	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.7	-172.4	23.3	-34.2	0	0	0	113.1	I311 R335 S338	P309-I311 PolarHBondContact O-N 2.89Å; P309-R335 PolarHBondContact O-NH2 3.41Å; P309-S338 WeakPolarHBondContact O-CB 3.4Å; P309-S338 PolarHBondContact O-OG 2.81Å
310	D	95.7	Very high	94.4	Very high	127 Å²	127	44.8 Å²	44.8	68%	0.679	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.9	-179.5	-60	-16.3	0	0	0	114	H308 P312	H308-D310 IonicContact CE1-OD2 2.9Å; H308-D310 PolarHBondContact CE1-OD2 2.81Å; H308-D310 VanDerWaalsContact CE1-OD2 3.26Å; H308-D310 PolarHBondContact ND1-N 3.04Å; H308-D310 IonicContact ND1-OD2 3.91Å; H308-D310 PolarHBondContact O-N 2.98Å; D310-P312 WeakPolarHBondContact O-CD 3.48Å
311	I	97.8	Very high	93.7	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.236	C	C	.	.			trans	-85.1	108.6	177.8	-61.6	172.6	0	0	0	108.9	A186 P190 V193 L196 L307 H308 P309 R335 S338	A186-I311 HydrophobicContact CB-CD1 4.26Å; P190-I311 HydrophobicContact CB-CD1 3.77Å; V193-I311 HydrophobicContact CB-CD1 4.28Å; V193-I311 HydrophobicContact CG1-CG2 4Å; L196-I311 HydrophobicContact CD1-CG2 3.87Å; L196-I311 HydrophobicContact CG-CG2 3.94Å; L307-I311 HydrophobicContact CD1-CB 4.39Å; L307-I311 HydrophobicContact CD1-CD1 3.88Å; L307-I311 HydrophobicContact CD1-CG2 4.43Å; H308-I311 HydrophobicContact CB-CD1 3.88Å; H308-I311 HydrophobicContact CB-CG1 4.14Å; H308-I311 PolarHBondContact O-N 3.08Å; H308-I311 VanDerWaalsContact O-N 3.13Å; P309-I311 PolarHBondContact O-N 2.89Å; I311-R335 PolarHBondContact O-NH2 3.02Å; I311-S338 PolarHBondContact O-OG 3.49Å
312	P	97.7	Very high	92.4	Very high	22 Å²	22	50.4 Å²	50.4	14%	0.143	27%	0.268	C	S	.	.			trans	-71.8	152.7	176.3	32.5	-39.8	0	0	0	112	K194 H195 L196 D310 H339	K194-P312 WeakPolarHBondContact O-CD 3.44Å; K194-P312 WeakPolarHBondContact O-CG 3.28Å; H195-P312 HydrophobicContact CB-CG 4.07Å; H195-P312 WeakPolarHBondContact ND1-CG 3.36Å; L196-P312 PolarHBondContact N-O 3.26Å; D310-P312 WeakPolarHBondContact O-CD 3.48Å; P312-H339 WeakPolarHBondContact CA-O 3.28Å; P312-H339 HydrophobicContact CB-CB 3.91Å
313	I	98.1	Very high	91.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.6	178.9	-50.9	-177.8	0	0	0	109.8	L196 L198 L304 L307 I315 I331 H339 V340 E341	L196-I313 HydrophobicContact CB-CG1 4.35Å; L196-I313 HydrophobicContact CB-CG2 4.44Å; L196-I313 HydrophobicContact CD1-CG1 4.24Å; L196-I313 CarbonylContact O-C 3.51Å; L196-I313 WeakPolarHBondContact O-CA 3.47Å; L198-I313 HydrophobicContact CD1-CG2 3.65Å; L198-I313 HydrophobicContact CG-CG2 3.98Å; L304-I313 HydrophobicContact CD1-CD1 4.39Å; L307-I313 HydrophobicContact CD2-CD1 3.68Å; L307-I313 HydrophobicContact CD2-CG1 4.28Å; I313-I315 HydrophobicContact CG2-CD1 4.2Å; I313-I315 HydrophobicContact CG2-CG1 3.6Å; I313-I331 HydrophobicContact CD1-CG2 4.17Å; I313-H339 PolarHBondContact N-O 3.15Å; I313-V340 CarbonylContact O-C 3.55Å; I313-V340 VanDerWaalsContact O-CA 3.28Å; I313-V340 WeakPolarHBondContact O-CA 3.33Å; I313-E341 PolarHBondContact O-N 2.98Å
314	S	98.1	Very high	89.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.3	165	-62.2	0	0	0	0	108.9	H195 L196 V197 L198 E341 V367	H195-S314 PolarHBondContact NE2-OG 3.37Å; L196-S314 PolarHBondContact O-N 3.32Å; V197-S314 CarbonylContact C-O 3.53Å; V197-S314 WeakPolarHBondContact CA-O 3.42Å; L198-S314 PolarHBondContact N-O 2.91Å; S314-E341 CarbonylContact C-O 3.57Å; S314-E341 WeakPolarHBondContact CA-O 3.33Å; S314-V367 WeakPolarHBondContact OG-CG1 3.18Å; S314-V367 WeakPolarHBondContact OG-CG2 3.39Å
315	I	97.1	Very high	88.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126	-177.4	-43.4	173.9	0	0	0	109.1	L198 P201 I313 Y317 A328 I331 V340 E341 I343	L198-I315 HydrophobicContact CB-CG1 4.47Å; L198-I315 HydrophobicContact CB-CG2 4.21Å; L198-I315 HydrophobicContact CD1-CG1 4.47Å; L198-I315 CarbonylContact O-C 3.5Å; L198-I315 WeakPolarHBondContact O-CA 3.4Å; P201-I315 HydrophobicContact CG-CG2 4.36Å; I313-I315 HydrophobicContact CG2-CD1 4.2Å; I313-I315 HydrophobicContact CG2-CG1 3.6Å; I315-Y317 HydrophobicContact CB-CE2 4.12Å; I315-Y317 HydrophobicContact CG2-CD2 3.94Å; I315-Y317 HydrophobicContact CG2-CE2 3.17Å; I315-A328 HydrophobicContact CD1-CB 3.9Å; I315-I331 HydrophobicContact CD1-CB 4.22Å; I315-I331 HydrophobicContact CD1-CD1 3.46Å; I315-I331 VanDerWaalsContact CD1-CD1 3.46Å; I315-I331 HydrophobicContact CD1-CG1 4.46Å; I315-I331 HydrophobicContact CD1-CG2 3.99Å; I315-V340 HydrophobicContact CD1-CG1 4.42Å; I315-E341 PolarHBondContact N-O 3.11Å; I315-I343 PolarHBondContact O-N 3.12Å
316	I	96.3	Very high	87.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.4	-177.4	-53.5	177.8	0	0	0	109.3	V197 L198 V199 E200 I343 M345 V352 F360 V364	V197-I316 HydrophobicContact CG1-CD1 3.9Å; L198-I316 PolarHBondContact O-N 3.02Å; V199-I316 HydrophobicContact CG2-CB 4.49Å; V199-I316 HydrophobicContact CG2-CD1 4.44Å; E200-I316 PolarHBondContact N-O 2.91Å; I316-I343 WeakPolarHBondContact CA-O 3.46Å; I316-I343 HydrophobicContact CD1-CD1 4.46Å; I316-I343 HydrophobicContact CG1-CB 4.14Å; I316-I343 HydrophobicContact CG1-CD1 3.94Å; I316-I343 HydrophobicContact CG1-CG2 4.44Å; I316-I343 HydrophobicContact CG2-CG2 4.34Å; I316-M345 HydrophobicContact CG2-CG 3.84Å; I316-V352 HydrophobicContact CG2-CG1 3.91Å; I316-F360 HydrophobicContact CD1-CD2 4.17Å; I316-F360 HydrophobicContact CD1-CE2 3.8Å; I316-F360 HydrophobicContact CG2-CD2 4.31Å; I316-F360 HydrophobicContact CG2-CE2 4.42Å; I316-V364 HydrophobicContact CD1-CG2 4.16Å
317	Y	93.3	Very high	86.8	Confident	6 Å²	6	45.8 Å²	45.8	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.2	173	-66.7	-81.2	0	0	0	112.3	E200 I315 I323 A328 I343 T344 M345	E200-Y317 WeakPolarHBondContact OE1-CA 3.34Å; E200-Y317 WeakPolarHBondContact OE1-CD1 3.08Å; I315-Y317 HydrophobicContact CB-CE2 4.12Å; I315-Y317 HydrophobicContact CG2-CD2 3.94Å; I315-Y317 HydrophobicContact CG2-CE2 3.17Å; Y317-I323 HydrophobicContact CD1-CG2 4.44Å; Y317-I323 HydrophobicContact CE1-CG2 3.86Å; Y317-A328 HydrophobicContact CE2-CB 3.57Å; Y317-I343 PolarHBondContact N-O 3.3Å; Y317-T344 CarbonylContact O-C 3.58Å; Y317-T344 WeakPolarHBondContact O-CA 3.28Å; Y317-M345 PolarHBondContact O-N 2.91Å
318	G	91.1	Very high	86.2	Confident	6 Å²	6	45.7 Å²	45.7	6%	0.062	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.7	166.4	0	0	0	0	0	111.1	E200 R320 S321 A348	E200-G318 PolarHBondContact OE1-N 3.43Å; G318-R320 PolarHBondContact O-N 3.01Å; G318-S321 VanDerWaalsContact O-CB 3.29Å; G318-S321 WeakPolarHBondContact O-CB 3.46Å; G318-S321 PolarHBondContact O-N 3.46Å; G318-A348 CarbonylContact C-O 3.47Å; G318-A348 WeakPolarHBondContact CA-O 3.49Å
319	S	87.8	Confident	85.7	Confident	62 Å²	62	44 Å²	44	43%	0.434	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.2	176.3	57.4	0	0	0	0	115.4	M345 R346 G347 A348	S319-M345 WeakPolarHBondContact CB-O 3.32Å; S319-M345 PolarHBondContact N-O 2.94Å; S319-M345 PolarHBondContact OG-O 3.35Å; S319-M345 VanDerWaalsContact OG-O 3.13Å; S319-R346 WeakPolarHBondContact OG-CA 3.33Å; S319-G347 PolarHBondContact OG-N 3.11Å; S319-A348 PolarHBondContact N-O 2.83Å
320	R	82.5	Confident	85.5	Confident	164 Å²	164	42.7 Å²	42.7	62%	0.619	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	9	175.6	-55.5	-169.8	-59.1	-121	-5	112.7	G318 G347 A348	G318-R320 PolarHBondContact O-N 3.01Å; R320-G347 PolarHBondContact NH1-O 2.88Å; R320-G347 PolarHBondContact NH2-O 3.22Å; R320-A348 WeakPolarHBondContact CB-O 3.23Å; R320-A348 PolarHBondContact N-O 3.45Å
321	S	79.1	Confident	85.3	Confident	28 Å²	28	36.7 Å²	36.7	20%	0.196	22%	0.22	C	C	.	.			trans	-71.1	146.7	-179.5	-167.9	0	0	0	0	111.2	E200 G318 I323	E200-S321 VanDerWaalsContact CD-OG 3.23Å; E200-S321 WeakPolarHBondContact OE1-CB 3.39Å; E200-S321 PolarHBondContact OE1-OG 3.13Å; E200-S321 VanDerWaalsContact OE2-CB 3.27Å; E200-S321 WeakPolarHBondContact OE2-CB 3.36Å; E200-S321 PolarHBondContact OE2-OG 2.89Å; G318-S321 VanDerWaalsContact O-CB 3.29Å; G318-S321 WeakPolarHBondContact O-CB 3.46Å; G318-S321 PolarHBondContact O-N 3.46Å; S321-I323 VanDerWaalsContact C-N 3.35Å; S321-I323 PolarHBondContact OG-N 2.95Å; S321-I323 VanDerWaalsContact OG-N 3.12Å
322	S	64.9	Low	85.1	Confident	120 Å²	120	42.2 Å²	42.2	84%	0.839	24%	0.244	S	C	*	.			trans	-89.3	-4.1	169.7	59.7	0	0	0	0	112.5	D324	S322-D324 PolarHBondContact O-N 3.41Å
323	I	66.4	Low	84.8	Confident	47 Å²	47	48 Å²	48	24%	0.241	27%	0.269	C	S	.	.	S	Bend	trans	-71.5	126.7	170.9	-60.5	-63.1	0	0	0	108	E200 Y317 S321 S325 H350	E200-I323 WeakPolarHBondContact OE2-CB 3.42Å; E200-I323 WeakPolarHBondContact OE2-CG1 3.31Å; Y317-I323 HydrophobicContact CD1-CG2 4.44Å; Y317-I323 HydrophobicContact CE1-CG2 3.86Å; S321-I323 VanDerWaalsContact C-N 3.35Å; S321-I323 PolarHBondContact OG-N 2.95Å; S321-I323 VanDerWaalsContact OG-N 3.12Å; I323-S325 PolarHBondContact O-N 3.5Å; I323-H350 WeakPolarHBondContact CG1-ND1 3.26Å
324	D	66.3	Low	84.5	Confident	72 Å²	72	52.4 Å²	52.4	39%	0.385	29%	0.291	S	S	.	.			trans	-66	116.2	-178.4	-171.9	6.4	0	0	0	111.2	S322 T326	S322-D324 PolarHBondContact O-N 3.41Å; D324-T326 VanDerWaalsContact C-N 3.27Å; D324-T326 VanDerWaalsContact OD1-CB 3.3Å; D324-T326 WeakPolarHBondContact OD1-CB 3.43Å; D324-T326 WeakPolarHBondContact OD1-CG2 3.31Å; D324-T326 PolarHBondContact OD1-N 2.99Å; D324-T326 PolarHBondContact OD1-OG1 3.07Å; D324-T326 PolarHBondContact OD2-OG1 3.15Å
325	S	69.3	Low	84.3	Confident	69 Å²	69	53.2 Å²	53.2	48%	0.483	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.6	176.6	62.2	0	0	0	0	112.8	I323 S327 A328	I323-S325 PolarHBondContact O-N 3.5Å; S325-S327 PolarHBondContact O-N 2.84Å; S325-A328 VanDerWaalsContact O-CB 3.29Å; S325-A328 WeakPolarHBondContact O-CB 3.39Å; S325-A328 PolarHBondContact O-N 3.39Å
326	T	72.1	Confident	84.1	Confident	77 Å²	77	58.5 Å²	58.5	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-56.9	-35.6	175.6	64.9	0	0	0	0	111.7	D324 A328 A329 S330	D324-T326 VanDerWaalsContact C-N 3.27Å; D324-T326 VanDerWaalsContact OD1-CB 3.3Å; D324-T326 WeakPolarHBondContact OD1-CB 3.43Å; D324-T326 WeakPolarHBondContact OD1-CG2 3.31Å; D324-T326 PolarHBondContact OD1-N 2.99Å; D324-T326 PolarHBondContact OD1-OG1 3.07Å; D324-T326 PolarHBondContact OD2-OG1 3.15Å; T326-A328 PolarHBondContact O-N 3.35Å; T326-A328 VanDerWaalsContact O-N 3.14Å; T326-A329 WeakPolarHBondContact O-CB 3.37Å; T326-A329 PolarHBondContact O-N 2.89Å; T326-S330 PolarHBondContact O-N 3.29Å; T326-S330 VanDerWaalsContact O-N 3.16Å; T326-S330 PolarHBondContact O-OG 3.24Å
327	S	80.3	Confident	83.8	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.014	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-28.9	176	-75.1	0	0	0	0	112.9	P205 S325 S330 I331	P205-S327 WeakPolarHBondContact CD-OG 3.19Å; P205-S327 WeakPolarHBondContact CG-OG 3.41Å; S325-S327 PolarHBondContact O-N 2.84Å; S327-S330 PolarHBondContact O-N 2.97Å; S327-I331 WeakPolarHBondContact O-CD1 3.45Å; S327-I331 WeakPolarHBondContact O-CG1 3.35Å; S327-I331 PolarHBondContact O-N 3.22Å
328	A	84.9	Confident	83.8	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	37%	0.37	C	S	.	.	H	α-helix	trans	-72.1	-34.7	177.5	0	0	0	0	0	112.8	I315 Y317 S325 T326 I331 K332 I342	I315-A328 HydrophobicContact CD1-CB 3.9Å; Y317-A328 HydrophobicContact CE2-CB 3.57Å; S325-A328 VanDerWaalsContact O-CB 3.29Å; S325-A328 WeakPolarHBondContact O-CB 3.39Å; S325-A328 PolarHBondContact O-N 3.39Å; T326-A328 PolarHBondContact O-N 3.35Å; T326-A328 VanDerWaalsContact O-N 3.14Å; A328-I331 PolarHBondContact O-N 3.47Å; A328-K332 WeakPolarHBondContact O-CB 3.47Å; A328-K332 PolarHBondContact O-N 3Å; A328-I342 HydrophobicContact CB-CD1 3.82Å; A328-I342 HydrophobicContact CB-CG1 4.11Å; A328-I342 HydrophobicContact CB-CG2 4.12Å; A328-I342 WeakPolarHBondContact O-CD1 3.33Å
329	A	86.7	Confident	84	Confident	46 Å²	46	70.4 Å²	70.4	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-46.4	170.3	0	0	0	0	0	110.1	T326 I331 K332 E333	T326-A329 WeakPolarHBondContact O-CB 3.37Å; T326-A329 PolarHBondContact O-N 2.89Å; A329-I331 PolarHBondContact O-N 3.45Å; A329-K332 WeakPolarHBondContact O-CB 3.43Å; A329-K332 PolarHBondContact O-N 2.74Å; A329-K332 VanDerWaalsContact O-N 3.12Å; A329-E333 WeakPolarHBondContact O-CG 3.34Å; A329-E333 PolarHBondContact O-N 3.45Å
330	S	90.3	Very high	84.4	Confident	42 Å²	42	68.1 Å²	68.1	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176.2	-53.7	0	0	0	0	113	T326 S327 K332 E333 M334	T326-S330 PolarHBondContact O-N 3.29Å; T326-S330 VanDerWaalsContact O-N 3.16Å; T326-S330 PolarHBondContact O-OG 3.24Å; S327-S330 PolarHBondContact O-N 2.97Å; S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 3.13Å; S330-E333 PolarHBondContact O-N 3.49Å; S330-M334 WeakPolarHBondContact O-CB 3.38Å; S330-M334 WeakPolarHBondContact O-CE 3.34Å; S330-M334 WeakPolarHBondContact O-CG 3.38Å; S330-M334 PolarHBondContact O-N 3.3Å
331	I	92.2	Very high	85	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-45.6	173.6	-71.4	159.3	0	0	0	110.6	F204 L301 L304 I313 I315 S327 A328 A329 E333 M334 R335 V340	F204-I331 HydrophobicContact CD1-CD1 3.43Å; F204-I331 VanDerWaalsContact CD1-CD1 3.43Å; F204-I331 HydrophobicContact CD1-CG1 4.1Å; F204-I331 HydrophobicContact CE1-CD1 3.45Å; F204-I331 VanDerWaalsContact CE1-CD1 3.45Å; F204-I331 HydrophobicContact CE1-CG1 4.19Å; L301-I331 HydrophobicContact CD2-CG1 3.74Å; L304-I331 HydrophobicContact CD2-CB 4.04Å; L304-I331 HydrophobicContact CD2-CG1 3.78Å; L304-I331 HydrophobicContact CD2-CG2 3.93Å; I313-I331 HydrophobicContact CD1-CG2 4.17Å; I315-I331 HydrophobicContact CD1-CB 4.22Å; I315-I331 HydrophobicContact CD1-CD1 3.46Å; I315-I331 VanDerWaalsContact CD1-CD1 3.46Å; I315-I331 HydrophobicContact CD1-CG1 4.46Å; I315-I331 HydrophobicContact CD1-CG2 3.99Å; S327-I331 WeakPolarHBondContact O-CD1 3.45Å; S327-I331 WeakPolarHBondContact O-CG1 3.35Å; S327-I331 PolarHBondContact O-N 3.22Å; A328-I331 PolarHBondContact O-N 3.47Å; A329-I331 PolarHBondContact O-N 3.45Å; I331-E333 VanDerWaalsContact C-N 3.34Å; I331-E333 PolarHBondContact O-N 3.12Å; I331-M334 PolarHBondContact O-N 3.3Å; I331-R335 WeakPolarHBondContact O-CB 3.41Å; I331-R335 WeakPolarHBondContact O-CG 3.42Å; I331-R335 PolarHBondContact O-N 2.91Å; I331-V340 HydrophobicContact CG2-CG1 3.98Å; I331-V340 HydrophobicContact CG2-CG2 4.2Å
332	K	92.4	Very high	85.8	Confident	121 Å²	121	63.9 Å²	63.9	53%	0.526	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-38.8	179.8	-172	173.5	-175.8	179.3	0	112	A328 A329 S330 V340 I342	A328-K332 WeakPolarHBondContact O-CB 3.47Å; A328-K332 PolarHBondContact O-N 3Å; A329-K332 WeakPolarHBondContact O-CB 3.43Å; A329-K332 PolarHBondContact O-N 2.74Å; A329-K332 VanDerWaalsContact O-N 3.12Å; S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 3.13Å; K332-V340 HydrophobicContact CB-CB 4.34Å; K332-V340 HydrophobicContact CB-CG1 4.03Å; K332-V340 HydrophobicContact CG-CB 4.28Å; K332-V340 HydrophobicContact CG-CG1 4.39Å; K332-I342 HydrophobicContact CB-CD1 4.35Å; K332-I342 HydrophobicContact CD-CD1 4.19Å
333	E	92.3	Very high	87.2	Confident	144 Å²	144	58.7 Å²	58.7	67%	0.673	32%	0.319	S	S	*	.	H	α-helix	trans	-68.4	-39.8	176	-72.8	172.9	-176.9	0	0	112.6	A329 S330 I331 R335 T336	A329-E333 WeakPolarHBondContact O-CG 3.34Å; A329-E333 PolarHBondContact O-N 3.45Å; S330-E333 PolarHBondContact O-N 3.49Å; I331-E333 VanDerWaalsContact C-N 3.34Å; I331-E333 PolarHBondContact O-N 3.12Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-T336 VanDerWaalsContact O-CG2 3.23Å; E333-T336 WeakPolarHBondContact O-CG2 3.38Å
334	M	92.4	Very high	88.6	Confident	92 Å²	92	60.7 Å²	60.7	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-73.2	-25.4	178.3	-72.3	-172.1	-71	0	0	113.4	L301 L304 S330 I331	L301-M334 HydrophobicContact CB-CE 4.03Å; L301-M334 HydrophobicContact CD2-CE 3.3Å; L301-M334 HydrophobicContact CG-CE 4.2Å; L304-M334 HydrophobicContact CB-CE 4.26Å; L304-M334 HydrophobicContact CD2-CB 4.37Å; L304-M334 HydrophobicContact CD2-CE 3.59Å; S330-M334 WeakPolarHBondContact O-CB 3.38Å; S330-M334 WeakPolarHBondContact O-CE 3.34Å; S330-M334 WeakPolarHBondContact O-CG 3.38Å; S330-M334 PolarHBondContact O-N 3.3Å; I331-M334 PolarHBondContact O-N 3.3Å
335	R	93.7	Very high	89.8	Confident	17 Å²	17	58.4 Å²	58.4	6%	0.064	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	47.3	-175.1	-63.7	-169.5	68.4	77.7	-5.9	112.7	L304 L307 H308 P309 I311 I331 E333 N337 S338 V340	L304-R335 HydrophobicContact CD2-CG 3.96Å; L304-R335 HydrophobicContact CG-CG 4.38Å; L307-R335 PolarHBondContact O-NH1 3.08Å; H308-R335 PolarHBondContact O-NH2 3.49Å; P309-R335 PolarHBondContact O-NH2 3.41Å; I311-R335 PolarHBondContact O-NH2 3.02Å; I331-R335 WeakPolarHBondContact O-CB 3.41Å; I331-R335 WeakPolarHBondContact O-CG 3.42Å; I331-R335 PolarHBondContact O-N 2.91Å; E333-R335 VanDerWaalsContact C-N 3.34Å; R335-N337 PolarHBondContact O-N 3.14Å; R335-N337 VanDerWaalsContact O-N 3.09Å; R335-S338 PolarHBondContact NH2-OG 2.82Å; R335-S338 VanDerWaalsContact NH2-OG 3.16Å; R335-S338 PolarHBondContact O-N 2.98Å; R335-S338 VanDerWaalsContact O-O 3.06Å; R335-V340 HydrophobicContact CB-CG2 3.77Å; R335-V340 HydrophobicContact CG-CG2 4.5Å
336	T	91.3	Very high	91	Very high	111 Å²	111	65.3 Å²	65.3	68%	0.681	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.4	-177	60.1	0	0	0	0	114.5	E333	E333-T336 VanDerWaalsContact O-CG2 3.23Å; E333-T336 WeakPolarHBondContact O-CG2 3.38Å
337	N	90.2	Very high	91.8	Very high	147 Å²	147	62.8 Å²	62.8	79%	0.786	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	13.6	-178.9	-58.9	-27.5	0	0	0	112.8	R335	R335-N337 PolarHBondContact O-N 3.14Å; R335-N337 VanDerWaalsContact O-N 3.09Å
338	S	94.1	Very high	92.3	Very high	23 Å²	23	62.7 Å²	62.7	16%	0.161	33%	0.325	C	S	.	.	S	Bend	trans	-132.3	154.6	-179.6	-165.9	0	0	0	0	110.6	P309 I311 R335 V340	P309-S338 WeakPolarHBondContact O-CB 3.4Å; P309-S338 PolarHBondContact O-OG 2.81Å; I311-S338 PolarHBondContact O-OG 3.49Å; R335-S338 PolarHBondContact NH2-OG 2.82Å; R335-S338 VanDerWaalsContact NH2-OG 3.16Å; R335-S338 PolarHBondContact O-N 2.98Å; R335-S338 VanDerWaalsContact O-O 3.06Å; S338-V340 PolarHBondContact O-N 3.27Å
339	H	95.1	Very high	92.5	Very high	93 Å²	93	63.1 Å²	63.1	43%	0.431	33%	0.33	S	S	.	.			trans	-74.8	119	175.4	-179.1	76.2	0	0	0	110.7	P312 I313	P312-H339 WeakPolarHBondContact CA-O 3.28Å; P312-H339 HydrophobicContact CB-CB 3.91Å; I313-H339 PolarHBondContact N-O 3.15Å
340	V	96.4	Very high	92.4	Very high	15 Å²	15	62.9 Å²	62.9	9%	0.091	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.7	170.8	-178.6	0	0	0	0	109.9	I313 I315 I331 K332 R335 S338 I342	I313-V340 CarbonylContact O-C 3.55Å; I313-V340 VanDerWaalsContact O-CA 3.28Å; I313-V340 WeakPolarHBondContact O-CA 3.33Å; I315-V340 HydrophobicContact CD1-CG1 4.42Å; I331-V340 HydrophobicContact CG2-CG1 3.98Å; I331-V340 HydrophobicContact CG2-CG2 4.2Å; K332-V340 HydrophobicContact CB-CB 4.34Å; K332-V340 HydrophobicContact CB-CG1 4.03Å; K332-V340 HydrophobicContact CG-CB 4.28Å; K332-V340 HydrophobicContact CG-CG1 4.39Å; R335-V340 HydrophobicContact CB-CG2 3.77Å; R335-V340 HydrophobicContact CG-CG2 4.5Å; S338-V340 PolarHBondContact O-N 3.27Å; V340-I342 HydrophobicContact CG1-CG1 4.42Å
341	E	95.5	Very high	92.4	Very high	36 Å²	36	62.3 Å²	62.3	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.1	173.6	-168.4	178.9	177.7	0	0	109.6	I313 S314 I315 I343 K363 K370	I313-E341 PolarHBondContact O-N 2.98Å; S314-E341 CarbonylContact C-O 3.57Å; S314-E341 WeakPolarHBondContact CA-O 3.33Å; I315-E341 PolarHBondContact N-O 3.11Å; E341-I343 HydrophobicContact CG-CD1 4.21Å; E341-I343 HydrophobicContact CG-CG1 3.98Å; E341-K363 IonicContact OE1-NZ 3.26Å; E341-K363 PolarHBondContact OE1-NZ 3.4Å; E341-K370 IonicContact OE2-NZ 2.61Å; E341-K370 PolarHBondContact OE2-NZ 3.17Å
342	I	95.4	Very high	92.5	Very high	66 Å²	66	62.3 Å²	62.3	34%	0.338	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.3	174.9	-52.5	172.2	0	0	0	107.9	A328 K332 V340	A328-I342 HydrophobicContact CB-CD1 3.82Å; A328-I342 HydrophobicContact CB-CG1 4.11Å; A328-I342 HydrophobicContact CB-CG2 4.12Å; A328-I342 WeakPolarHBondContact O-CD1 3.33Å; K332-I342 HydrophobicContact CB-CD1 4.35Å; K332-I342 HydrophobicContact CD-CD1 4.19Å; V340-I342 HydrophobicContact CG1-CG1 4.42Å
343	I	95	Very high	92.7	Very high	11 Å²	11	56.6 Å²	56.6	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.7	-174.2	-62.3	155.9	0	0	0	107.9	I315 I316 Y317 E341 M345 K363 V367	I315-I343 PolarHBondContact O-N 3.12Å; I316-I343 WeakPolarHBondContact CA-O 3.46Å; I316-I343 HydrophobicContact CD1-CD1 4.46Å; I316-I343 HydrophobicContact CG1-CB 4.14Å; I316-I343 HydrophobicContact CG1-CD1 3.94Å; I316-I343 HydrophobicContact CG1-CG2 4.44Å; I316-I343 HydrophobicContact CG2-CG2 4.34Å; Y317-I343 PolarHBondContact N-O 3.3Å; E341-I343 HydrophobicContact CG-CD1 4.21Å; E341-I343 HydrophobicContact CG-CG1 3.98Å; I343-M345 HydrophobicContact CG2-CG 4.44Å; I343-K363 HydrophobicContact CD1-CD 4.3Å; I343-K363 HydrophobicContact CD1-CG 3.74Å; I343-K363 HydrophobicContact CG1-CG 4.32Å; I343-K363 HydrophobicContact CG2-CG 3.89Å; I343-V367 HydrophobicContact CD1-CG2 4.42Å
344	T	94	Very high	92.8	Very high	89 Å²	89	49.9 Å²	49.9	55%	0.546	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.2	172.5	-56.8	0	0	0	0	110	Y317	Y317-T344 CarbonylContact O-C 3.58Å; Y317-T344 WeakPolarHBondContact O-CA 3.28Å
345	M	93.3	Very high	92.8	Very high	25 Å²	25	47 Å²	47	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.3	176.8	-74.7	-91.7	78.4	0	0	110.4	I316 Y317 S319 I343 A348 V352 D359	I316-M345 HydrophobicContact CG2-CG 3.84Å; Y317-M345 PolarHBondContact O-N 2.91Å; S319-M345 WeakPolarHBondContact CB-O 3.32Å; S319-M345 PolarHBondContact N-O 2.94Å; S319-M345 PolarHBondContact OG-O 3.35Å; S319-M345 VanDerWaalsContact OG-O 3.13Å; I343-M345 HydrophobicContact CG2-CG 4.44Å; M345-A348 HydrophobicContact CB-CB 3.91Å; M345-A348 PolarHBondContact O-N 2.93Å; M345-V352 HydrophobicContact CB-CG1 3.55Å; M345-V352 HydrophobicContact CG-CG1 3.54Å; M345-V352 HydrophobicContact SD-CG1 4.47Å; M345-D359 HydrophobicContact CE-CB 3.84Å; M345-D359 HydrophobicContact SD-CB 3.84Å
346	R	93	Very high	92.9	Very high	214 Å²	214	49.1 Å²	49.1	81%	0.808	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	138	178.4	-69.6	-173.2	179.7	-166.6	0.6	110.2	S319 A348	S319-R346 WeakPolarHBondContact OG-CA 3.33Å; R346-A348 PolarHBondContact O-N 3.4Å
347	G	89.3	Confident	93.2	Very high	24 Å²	24	45.4 Å²	45.4	25%	0.247	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	9.6	178.3	0	0	0	0	0	115.1	S319 R320 Q356	S319-G347 PolarHBondContact OG-N 3.11Å; R320-G347 PolarHBondContact NH1-O 2.88Å; R320-G347 PolarHBondContact NH2-O 3.22Å; G347-Q356 PolarHBondContact O-NE2 3.24Å
348	A	91.4	Very high	93.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.			trans	-103	147.5	171.9	0	0	0	0	0	112.3	G318 S319 R320 M345 R346 V352 D355 Q356	G318-A348 CarbonylContact C-O 3.47Å; G318-A348 WeakPolarHBondContact CA-O 3.49Å; S319-A348 PolarHBondContact N-O 2.83Å; R320-A348 WeakPolarHBondContact CB-O 3.23Å; R320-A348 PolarHBondContact N-O 3.45Å; M345-A348 HydrophobicContact CB-CB 3.91Å; M345-A348 PolarHBondContact O-N 2.93Å; R346-A348 PolarHBondContact O-N 3.4Å; A348-V352 HydrophobicContact CB-CB 4.24Å; A348-V352 HydrophobicContact CB-CG1 3.85Å; A348-V352 HydrophobicContact CB-CG2 4.2Å; A348-D355 HydrophobicContact CB-CB 3.84Å; A348-Q356 HydrophobicContact CB-CG 3.97Å
349	G	87.9	Confident	93.7	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	24%	0.236	C	C	.	.			trans	-105	-146.8	165.8	0	0	0	0	0	111.1	Y351 V352 D355	G349-Y351 VanDerWaalsContact C-N 3.3Å; G349-Y351 PolarHBondContact O-N 3.12Å; G349-V352 WeakPolarHBondContact O-CG2 3.42Å; G349-D355 PolarHBondContact N-OD2 2.57Å
350	H	85.4	Confident	93.8	Very high	41 Å²	41	44.3 Å²	44.3	19%	0.19	22%	0.215	C	C	.	.	S	Bend	trans	-63.6	-25.5	-174.6	-174.6	64	0	0	0	115.6	H175 N176 E200 I323 V352	H175-H350 AromaticContact CE1-CD2 3.93Å; H175-H350 AromaticContact CE1-NE2 3.59Å; H175-H350 AromaticContact NE2-CD2 3.81Å; H175-H350 AromaticContact NE2-CE1 3.89Å; H175-H350 AromaticContact NE2-NE2 3.53Å; H175-H350 PolarHBondContact NE2-O 2.84Å; N176-H350 PolarHBondContact ND2-NE2 3.32Å; E200-H350 WeakPolarHBondContact CG-O 3.22Å; E200-H350 IonicContact OE2-ND1 2.67Å; E200-H350 PolarHBondContact OE2-ND1 2.88Å; I323-H350 WeakPolarHBondContact CG1-ND1 3.26Å; H350-V352 PolarHBondContact O-N 3.4Å
351	Y	90.5	Very high	93.9	Very high	29 Å²	29	44 Å²	44	11%	0.114	21%	0.214	C	C	.	.			trans	-103	63.4	176.6	-69.3	-88.4	0	0	0	109.4	L113 H175 R252 F255 G349 F353 A354 D355	L113-Y351 HydrophobicContact CD1-CE1 4.45Å; H175-Y351 AromaticContact CE1-CD1 3.64Å; H175-Y351 AromaticContact CE1-CE1 3.52Å; R252-Y351 VanDerWaalsContact NH2-CE2 3.28Å; F255-Y351 HydrophobicContact CE1-CD1 4.07Å; F255-Y351 HydrophobicContact CE1-CE1 4.2Å; F255-Y351 HydrophobicContact CE1-CG 4.23Å; F255-Y351 HydrophobicContact CE2-CE2 4.1Å; F255-Y351 AromaticContact CZ-CD1 3.85Å; F255-Y351 HydrophobicContact CZ-CD1 3.85Å; F255-Y351 HydrophobicContact CZ-CD2 4.03Å; F255-Y351 AromaticContact CZ-CE1 3.54Å; F255-Y351 HydrophobicContact CZ-CE1 3.54Å; F255-Y351 AromaticContact CZ-CE2 3.73Å; F255-Y351 HydrophobicContact CZ-CE2 3.73Å; F255-Y351 HydrophobicContact CZ-CG 4.08Å; F255-Y351 AromaticContact CZ-CZ 3.47Å; F255-Y351 VanDerWaalsContact CZ-CZ 3.47Å; G349-Y351 VanDerWaalsContact C-N 3.3Å; G349-Y351 PolarHBondContact O-N 3.12Å; Y351-F353 HydrophobicContact CD1-CE1 4.06Å; Y351-F353 AromaticContact CD1-CZ 3.69Å; Y351-F353 HydrophobicContact CD1-CZ 3.69Å; Y351-F353 HydrophobicContact CE1-CZ 4.47Å; Y351-F353 PolarHBondContact O-N 3.4Å; Y351-A354 PolarHBondContact O-N 2.93Å; Y351-D355 PolarHBondContact O-N 2.68Å
352	V	94.1	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-53.3	-44	-171.2	-177.5	0	0	0	0	112.2	V199 E200 I316 M345 A348 G349 H350 A354 D355 Q356 F360	V199-V352 HydrophobicContact CG1-CB 4.15Å; V199-V352 HydrophobicContact CG1-CG2 4.35Å; E200-V352 HydrophobicContact CG-CG2 3.69Å; I316-V352 HydrophobicContact CG2-CG1 3.91Å; M345-V352 HydrophobicContact CB-CG1 3.55Å; M345-V352 HydrophobicContact CG-CG1 3.54Å; M345-V352 HydrophobicContact SD-CG1 4.47Å; A348-V352 HydrophobicContact CB-CB 4.24Å; A348-V352 HydrophobicContact CB-CG1 3.85Å; A348-V352 HydrophobicContact CB-CG2 4.2Å; G349-V352 WeakPolarHBondContact O-CG2 3.42Å; H350-V352 PolarHBondContact O-N 3.4Å; V352-A354 PolarHBondContact O-N 3.44Å; V352-D355 PolarHBondContact O-N 2.92Å; V352-Q356 PolarHBondContact O-N 3.02Å; V352-F360 HydrophobicContact CB-CD2 4.43Å; V352-F360 HydrophobicContact CG1-CD2 3.97Å
353	F	96	Very high	94.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-19.5	-179.5	61.2	-98.2	0	0	0	114.6	L113 W114 N117 H175 V199 Y351 P357 F360	L113-F353 HydrophobicContact CB-CE2 4.14Å; L113-F353 HydrophobicContact CB-CZ 4.42Å; L113-F353 WeakPolarHBondContact O-CE2 3.25Å; W114-F353 HydrophobicContact CE3-CB 4.42Å; W114-F353 HydrophobicContact CE3-CD1 4.4Å; W114-F353 AromaticContact CE3-CD2 3.85Å; W114-F353 HydrophobicContact CE3-CD2 3.85Å; W114-F353 HydrophobicContact CE3-CE2 4.16Å; W114-F353 AromaticContact CE3-CG 3.98Å; W114-F353 HydrophobicContact CE3-CG 3.98Å; W114-F353 AromaticContact CH2-CD1 3.88Å; W114-F353 HydrophobicContact CH2-CD1 3.88Å; W114-F353 AromaticContact CH2-CE1 3.95Å; W114-F353 HydrophobicContact CH2-CE1 3.95Å; W114-F353 HydrophobicContact CH2-CG 4.27Å; W114-F353 HydrophobicContact CH2-CZ 4.38Å; W114-F353 HydrophobicContact CZ3-CB 3.86Å; W114-F353 AromaticContact CZ3-CD1 3.52Å; W114-F353 HydrophobicContact CZ3-CD1 3.52Å; W114-F353 AromaticContact CZ3-CD2 3.78Å; W114-F353 HydrophobicContact CZ3-CD2 3.78Å; W114-F353 AromaticContact CZ3-CE1 3.91Å; W114-F353 HydrophobicContact CZ3-CE1 3.91Å; W114-F353 HydrophobicContact CZ3-CE2 4.15Å; W114-F353 AromaticContact CZ3-CG 3.44Å; W114-F353 HydrophobicContact CZ3-CG 3.44Å; W114-F353 VanDerWaalsContact CZ3-CG 3.44Å; W114-F353 HydrophobicContact CZ3-CZ 4.19Å; N117-F353 PolarHBondContact ND2-O 3.05Å; H175-F353 HydrophobicContact CB-CE1 4.08Å; H175-F353 AromaticContact CD2-CE1 3.73Å; H175-F353 AromaticContact CG-CE1 3.6Å; H175-F353 AromaticContact ND1-CE1 3.8Å; H175-F353 AromaticContact NE2-CE1 3.98Å; V199-F353 HydrophobicContact CG1-CD1 4.42Å; Y351-F353 HydrophobicContact CD1-CE1 4.06Å; Y351-F353 AromaticContact CD1-CZ 3.69Å; Y351-F353 HydrophobicContact CD1-CZ 3.69Å; Y351-F353 HydrophobicContact CE1-CZ 4.47Å; Y351-F353 PolarHBondContact O-N 3.4Å; F353-P357 WeakPolarHBondContact O-CA 3.18Å; F353-P357 WeakPolarHBondContact O-CB 3.23Å; F353-F360 HydrophobicContact CB-CD1 3.51Å; F353-F360 HydrophobicContact CB-CD2 4.1Å; F353-F360 HydrophobicContact CB-CE1 3.38Å; F353-F360 HydrophobicContact CB-CE2 3.98Å; F353-F360 HydrophobicContact CB-CG 3.86Å; F353-F360 HydrophobicContact CB-CZ 3.63Å
354	A	94.7	Very high	94.3	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-106.2	-20.8	176.5	0	0	0	0	0	112.7	Q116 K258 F259 Y351 V352	Q116-A354 PolarHBondContact OE1-O 3.19Å; K258-A354 HydrophobicContact CB-CB 4.07Å; K258-A354 HydrophobicContact CD-CB 4.1Å; K258-A354 HydrophobicContact CG-CB 4.45Å; F259-A354 HydrophobicContact CD2-CB 4.5Å; F259-A354 HydrophobicContact CE2-CB 3.7Å; F259-A354 HydrophobicContact CZ-CB 3.85Å; Y351-A354 PolarHBondContact O-N 2.93Å; V352-A354 PolarHBondContact O-N 3.44Å
355	D	93.3	Very high	94.5	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-78.2	-39.2	173.8	-84.9	-43.9	0	0	0	112.5	K258 A348 G349 Y351 V352	K258-D355 IonicContact NZ-OD1 3.9Å; K258-D355 PolarHBondContact NZ-OD1 3.02Å; K258-D355 IonicContact NZ-OD2 2.94Å; K258-D355 PolarHBondContact NZ-OD2 3.29Å; A348-D355 HydrophobicContact CB-CB 3.84Å; G349-D355 PolarHBondContact N-OD2 2.57Å; Y351-D355 PolarHBondContact O-N 2.68Å; V352-D355 PolarHBondContact O-N 2.92Å
356	Q	96	Very high	94.7	Very high	61 Å²	61	43.6 Å²	43.6	29%	0.285	21%	0.205	S	C	.	.	S	Bend	trans	-135.4	61.1	-176.4	-62.1	-60.9	-27.7	0	0	110.1	G347 A348 V352 Y358 D359 F360	G347-Q356 PolarHBondContact O-NE2 3.24Å; A348-Q356 HydrophobicContact CB-CG 3.97Å; V352-Q356 PolarHBondContact O-N 3.02Å; Q356-Y358 PolarHBondContact O-N 3.11Å; Q356-D359 HydrophobicContact CB-CB 4.43Å; Q356-D359 PolarHBondContact O-N 3.12Å; Q356-F360 WeakPolarHBondContact O-CB 3.34Å; Q356-F360 PolarHBondContact O-N 3.27Å
357	P	96.6	Very high	94.9	Very high	33 Å²	33	33.4 Å²	33.4	21%	0.214	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-41.6	-169.6	24.2	-36.3	0	0	0	113.7	Q116 F353 N361	Q116-P357 HydrophobicContact CB-CB 3.71Å; Q116-P357 HydrophobicContact CB-CG 4.49Å; Q116-P357 HydrophobicContact CG-CB 4.4Å; Q116-P357 VanDerWaalsContact OE1-CB 3.27Å; F353-P357 WeakPolarHBondContact O-CA 3.18Å; F353-P357 WeakPolarHBondContact O-CB 3.23Å; P357-N361 VanDerWaalsContact O-CB 3.27Å; P357-N361 WeakPolarHBondContact O-CB 3.44Å; P357-N361 PolarHBondContact O-N 3.26Å; P357-N361 PolarHBondContact O-ND2 3.13Å; P357-N361 VanDerWaalsContact O-ND2 3.14Å; P357-N361 PolarHBondContact O-OD1 2.92Å
358	Y	96.6	Very high	95.3	Very high	167 Å²	167	32.2 Å²	32.2	66%	0.655	16%	0.155	S	C	*	.	H	α-helix	trans	-63.6	-54.1	-179.8	179	-100.9	0	0	0	111.9	Q356 F360 N361 N362	Q356-Y358 PolarHBondContact O-N 3.11Å; Y358-F360 VanDerWaalsContact C-N 3.32Å; Y358-F360 PolarHBondContact O-N 2.91Å; Y358-N361 PolarHBondContact O-N 2.66Å; Y358-N362 WeakPolarHBondContact CD1-ND2 3.04Å; Y358-N362 WeakPolarHBondContact CE1-ND2 3.23Å; Y358-N362 WeakPolarHBondContact O-CB 3.41Å; Y358-N362 VanDerWaalsContact O-CG 3.29Å; Y358-N362 PolarHBondContact O-N 2.83Å; Y358-N362 PolarHBondContact O-ND2 2.68Å
359	D	97.3	Very high	95.4	Very high	72 Å²	72	37.9 Å²	37.9	39%	0.385	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-39.5	179.8	-69.9	-14.8	0	0	0	111.6	M345 Q356 K363	M345-D359 HydrophobicContact CE-CB 3.84Å; M345-D359 HydrophobicContact SD-CB 3.84Å; Q356-D359 HydrophobicContact CB-CB 4.43Å; Q356-D359 PolarHBondContact O-N 3.12Å; D359-K363 WeakPolarHBondContact O-CB 3.16Å; D359-K363 PolarHBondContact O-N 2.96Å
360	F	98.4	Very high	95.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-52	175.3	176.5	-94.7	0	0	0	111.3	W114 N117 L173 V199 I316 V352 F353 Q356 Y358 N362 K363 V364	W114-F360 HydrophobicContact CZ3-CE1 4.5Å; W114-F360 HydrophobicContact CZ3-CZ 4.5Å; N117-F360 WeakPolarHBondContact ND2-CD1 3.45Å; L173-F360 HydrophobicContact CD1-CE1 4.39Å; L173-F360 HydrophobicContact CD1-CZ 3.97Å; L173-F360 HydrophobicContact CD2-CZ 4.42Å; V199-F360 HydrophobicContact CB-CE2 4.48Å; V199-F360 HydrophobicContact CG1-CE2 3.92Å; V199-F360 HydrophobicContact CG2-CE2 3.68Å; V199-F360 HydrophobicContact CG2-CZ 3.83Å; I316-F360 HydrophobicContact CD1-CD2 4.17Å; I316-F360 HydrophobicContact CD1-CE2 3.8Å; I316-F360 HydrophobicContact CG2-CD2 4.31Å; I316-F360 HydrophobicContact CG2-CE2 4.42Å; V352-F360 HydrophobicContact CB-CD2 4.43Å; V352-F360 HydrophobicContact CG1-CD2 3.97Å; F353-F360 HydrophobicContact CB-CD1 3.51Å; F353-F360 HydrophobicContact CB-CD2 4.1Å; F353-F360 HydrophobicContact CB-CE1 3.38Å; F353-F360 HydrophobicContact CB-CE2 3.98Å; F353-F360 HydrophobicContact CB-CG 3.86Å; F353-F360 HydrophobicContact CB-CZ 3.63Å; Q356-F360 WeakPolarHBondContact O-CB 3.34Å; Q356-F360 PolarHBondContact O-N 3.27Å; Y358-F360 VanDerWaalsContact C-N 3.32Å; Y358-F360 PolarHBondContact O-N 2.91Å; F360-N362 PolarHBondContact O-N 2.65Å; F360-K363 PolarHBondContact O-N 3.31Å; F360-K363 VanDerWaalsContact O-N 3.14Å; F360-V364 HydrophobicContact CD1-CG2 4.19Å; F360-V364 HydrophobicContact CD2-CG2 4.49Å; F360-V364 HydrophobicContact CE1-CG2 3.77Å; F360-V364 HydrophobicContact CE2-CG2 4.11Å; F360-V364 HydrophobicContact CZ-CG2 3.73Å; F360-V364 WeakPolarHBondContact O-CG2 3.1Å; F360-V364 PolarHBondContact O-N 3.11Å
361	N	98.4	Very high	96.1	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-47.5	-179.6	-67.2	-15.4	0	0	0	111	Q116 N117 A120 P357 Y358 K363 V364 L365	Q116-N361 PolarHBondContact O-ND2 3.02Å; N117-N361 WeakPolarHBondContact CA-OD1 3.35Å; N117-N361 WeakPolarHBondContact CB-OD1 3.17Å; N117-N361 PolarHBondContact ND2-OD1 3.33Å; A120-N361 HydrophobicContact CB-CB 3.99Å; P357-N361 VanDerWaalsContact O-CB 3.27Å; P357-N361 WeakPolarHBondContact O-CB 3.44Å; P357-N361 PolarHBondContact O-N 3.26Å; P357-N361 PolarHBondContact O-ND2 3.13Å; P357-N361 VanDerWaalsContact O-ND2 3.14Å; P357-N361 PolarHBondContact O-OD1 2.92Å; Y358-N361 PolarHBondContact O-N 2.66Å; N361-K363 PolarHBondContact O-N 3.01Å; N361-V364 PolarHBondContact O-N 2.75Å; N361-L365 WeakPolarHBondContact O-CB 3.12Å; N361-L365 VanDerWaalsContact O-CG 3.31Å; N361-L365 WeakPolarHBondContact O-CG 3.34Å; N361-L365 PolarHBondContact O-N 3.35Å
362	N	98.2	Very high	95.9	Very high	55 Å²	55	46.5 Å²	46.5	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-57.3	-40.8	176.9	-73.3	-21	0	0	0	111.8	Y358 F360 L365 Q366	Y358-N362 WeakPolarHBondContact CD1-ND2 3.04Å; Y358-N362 WeakPolarHBondContact CE1-ND2 3.23Å; Y358-N362 WeakPolarHBondContact O-CB 3.41Å; Y358-N362 VanDerWaalsContact O-CG 3.29Å; Y358-N362 PolarHBondContact O-N 2.83Å; Y358-N362 PolarHBondContact O-ND2 2.68Å; F360-N362 PolarHBondContact O-N 2.65Å; N362-L365 PolarHBondContact O-N 3Å; N362-Q366 WeakPolarHBondContact O-CG 3.43Å; N362-Q366 PolarHBondContact O-N 3.38Å
363	K	98	Very high	96	Very high	48 Å²	48	48.8 Å²	48.8	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-73.1	-36.2	-178.5	-161	49.4	158.5	162.1	0	112.6	E341 I343 D359 F360 N361 Q366 V367	E341-K363 IonicContact OE1-NZ 3.26Å; E341-K363 PolarHBondContact OE1-NZ 3.4Å; I343-K363 HydrophobicContact CD1-CD 4.3Å; I343-K363 HydrophobicContact CD1-CG 3.74Å; I343-K363 HydrophobicContact CG1-CG 4.32Å; I343-K363 HydrophobicContact CG2-CG 3.89Å; D359-K363 WeakPolarHBondContact O-CB 3.16Å; D359-K363 PolarHBondContact O-N 2.96Å; F360-K363 PolarHBondContact O-N 3.31Å; F360-K363 VanDerWaalsContact O-N 3.14Å; N361-K363 PolarHBondContact O-N 3.01Å; K363-Q366 PolarHBondContact O-N 3.43Å; K363-V367 WeakPolarHBondContact O-CG2 3.46Å; K363-V367 PolarHBondContact O-N 2.9Å; K363-V367 VanDerWaalsContact O-N 3.15Å
364	V	98.4	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-45.7	171	173.6	0	0	0	0	110.4	I101 L121 L173 V197 I316 F360 N361 Q366 V367 C368	I101-V364 HydrophobicContact CD1-CG1 3.72Å; L121-V364 HydrophobicContact CD1-CG1 4.49Å; L121-V364 HydrophobicContact CD2-CB 4.12Å; L121-V364 HydrophobicContact CD2-CG1 3.69Å; L173-V364 HydrophobicContact CD1-CB 4.48Å; L173-V364 HydrophobicContact CD1-CG1 3.83Å; L173-V364 HydrophobicContact CD1-CG2 3.74Å; V197-V364 HydrophobicContact CG1-CG2 4.39Å; I316-V364 HydrophobicContact CD1-CG2 4.16Å; F360-V364 HydrophobicContact CD1-CG2 4.19Å; F360-V364 HydrophobicContact CD2-CG2 4.49Å; F360-V364 HydrophobicContact CE1-CG2 3.77Å; F360-V364 HydrophobicContact CE2-CG2 4.11Å; F360-V364 HydrophobicContact CZ-CG2 3.73Å; F360-V364 WeakPolarHBondContact O-CG2 3.1Å; F360-V364 PolarHBondContact O-N 3.11Å; N361-V364 PolarHBondContact O-N 2.75Å; V364-Q366 PolarHBondContact O-N 3.02Å; V364-V367 WeakPolarHBondContact O-CB 3.32Å; V364-V367 PolarHBondContact O-N 3.33Å; V364-V367 VanDerWaalsContact O-N 3.08Å; V364-C368 WeakPolarHBondContact O-CB 3.26Å; V364-C368 PolarHBondContact O-N 3.32Å; V364-C368 PolarHBondContact O-SG 3.2Å
365	L	98.2	Very high	96.1	Very high	28 Å²	28	54 Å²	54	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-44.2	176.5	-71.5	172.1	0	0	0	112	L121 D124 N361 N362 V367 C368 E369	L121-L365 HydrophobicContact CD2-CD2 3.91Å; L121-L365 HydrophobicContact CD2-CG 3.99Å; D124-L365 HydrophobicContact CB-CD2 3.45Å; D124-L365 VanDerWaalsContact CB-CD2 3.45Å; N361-L365 WeakPolarHBondContact O-CB 3.12Å; N361-L365 VanDerWaalsContact O-CG 3.31Å; N361-L365 WeakPolarHBondContact O-CG 3.34Å; N361-L365 PolarHBondContact O-N 3.35Å; N362-L365 PolarHBondContact O-N 3Å; L365-V367 VanDerWaalsContact C-N 3.27Å; L365-V367 PolarHBondContact O-N 3.44Å; L365-C368 WeakPolarHBondContact O-CB 3.24Å; L365-C368 PolarHBondContact O-N 3.45Å; L365-E369 WeakPolarHBondContact O-CG 3.34Å; L365-E369 PolarHBondContact O-N 3.02Å
366	Q	97.4	Very high	96.3	Very high	86 Å²	86	55.3 Å²	55.3	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-32.4	174.6	-75	174.2	7	0	0	113.9	N362 K363 V364 K370	N362-Q366 WeakPolarHBondContact O-CG 3.43Å; N362-Q366 PolarHBondContact O-N 3.38Å; K363-Q366 PolarHBondContact O-N 3.43Å; V364-Q366 PolarHBondContact O-N 3.02Å; Q366-K370 WeakPolarHBondContact O-CE 3.32Å; Q366-K370 WeakPolarHBondContact O-CG 3.25Å
367	V	96.9	Very high	96.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71.3	-48.1	174.8	169.3	0	0	0	0	109.4	H195 V197 S314 I343 K363 V364 L365 E369 K370	H195-V367 VanDerWaalsContact NE2-CG1 3.27Å; H195-V367 WeakPolarHBondContact NE2-CG1 3.31Å; V197-V367 HydrophobicContact CG2-CG1 3.92Å; S314-V367 WeakPolarHBondContact OG-CG1 3.18Å; S314-V367 WeakPolarHBondContact OG-CG2 3.39Å; I343-V367 HydrophobicContact CD1-CG2 4.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.46Å; K363-V367 PolarHBondContact O-N 2.9Å; K363-V367 VanDerWaalsContact O-N 3.15Å; V364-V367 WeakPolarHBondContact O-CB 3.32Å; V364-V367 PolarHBondContact O-N 3.33Å; V364-V367 VanDerWaalsContact O-N 3.08Å; L365-V367 VanDerWaalsContact C-N 3.27Å; L365-V367 PolarHBondContact O-N 3.44Å; V367-E369 VanDerWaalsContact C-N 3.34Å; V367-E369 PolarHBondContact O-N 3.13Å; V367-K370 WeakPolarHBondContact O-CB 3.14Å; V367-K370 PolarHBondContact O-N 2.9Å; V367-K370 VanDerWaalsContact O-N 3.11Å
368	C	97	Very high	96.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-40.3	178.5	-78.6	0	0	0	0	113.7	R125 I171 V364 L365 K370 V371	R125-C368 PolarHBondContact NH2-O 2.93Å; I171-C368 HydrophobicContact CD1-CB 4.09Å; V364-C368 WeakPolarHBondContact O-CB 3.26Å; V364-C368 PolarHBondContact O-N 3.32Å; V364-C368 PolarHBondContact O-SG 3.2Å; L365-C368 WeakPolarHBondContact O-CB 3.24Å; L365-C368 PolarHBondContact O-N 3.45Å; C368-K370 PolarHBondContact O-N 3.41Å; C368-V371 WeakPolarHBondContact O-CB 3.49Å; C368-V371 PolarHBondContact O-N 2.75Å
369	E	94.9	Very high	96.2	Very high	119 Å²	119	48.5 Å²	48.5	56%	0.556	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.9	175.8	-78.1	173.6	174	0	0	113.9	L365 V367 V371	L365-E369 WeakPolarHBondContact O-CG 3.34Å; L365-E369 PolarHBondContact O-N 3.02Å; V367-E369 VanDerWaalsContact C-N 3.34Å; V367-E369 PolarHBondContact O-N 3.13Å; E369-V371 VanDerWaalsContact C-N 3.32Å
370	K	93.4	Very high	96.1	Very high	118 Å²	118	46.7 Å²	46.7	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7	178.2	-58.7	169	-171.6	173.4	0	113	E341 Q366 V367 C368	E341-K370 IonicContact OE2-NZ 2.61Å; E341-K370 PolarHBondContact OE2-NZ 3.17Å; Q366-K370 WeakPolarHBondContact O-CE 3.32Å; Q366-K370 WeakPolarHBondContact O-CG 3.25Å; V367-K370 WeakPolarHBondContact O-CB 3.14Å; V367-K370 PolarHBondContact O-N 2.9Å; V367-K370 VanDerWaalsContact O-N 3.11Å; C368-K370 PolarHBondContact O-N 3.41Å
371	V	92.9	Very high	96	Very high	33 Å²	33	50.5 Å²	50.5	20%	0.2	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-35	-174.2	179.4	0	0	0	0	112	T99 I171 K194 H195 C368 E369	T99-V371 HydrophobicContact CG2-CG1 4.23Å; I171-V371 HydrophobicContact CD1-CB 3.92Å; I171-V371 HydrophobicContact CD1-CG1 4Å; I171-V371 HydrophobicContact CD1-CG2 3.78Å; I171-V371 HydrophobicContact CG1-CB 4.38Å; I171-V371 HydrophobicContact CG1-CG1 3.98Å; I171-V371 HydrophobicContact CG1-CG2 4.13Å; K194-V371 HydrophobicContact CB-CG1 3.54Å; K194-V371 HydrophobicContact CG-CG1 4.37Å; H195-V371 HydrophobicContact CB-CG2 3.66Å; C368-V371 WeakPolarHBondContact O-CB 3.49Å; C368-V371 PolarHBondContact O-N 2.75Å; E369-V371 VanDerWaalsContact C-N 3.32Å
372	D	87.7	Confident	95.7	Very high	109 Å²	109	54.2 Å²	54.2	58%	0.583	26%	0.264	S	S	*	.			trans	-84.7	0	174.6	-53.3	-54.2	0	0	0	110.1	T99 R125	T99-D372 WeakPolarHBondContact CB-OD1 3.37Å; T99-D372 PolarHBondContact N-OD1 3.4Å; T99-D372 PolarHBondContact OG1-OD1 2.81Å; R125-D372 IonicContact CZ-OD2 3.02Å; R125-D372 VanDerWaalsContact CZ-OD2 3.22Å; R125-D372 IonicContact NH1-OD1 3.5Å; R125-D372 IonicContact NH1-OD2 3.69Å; R125-D372 PolarHBondContact NH1-OD2 3Å; R125-D372 IonicContact NH2-OD2 3.56Å; R125-D372 PolarHBondContact NH2-OD2 2.78Å

Retrieved 372 of 372 residues in 773.5 ms (Link to these results)

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