A0A087XYW8_POEFO Loading...

Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial

Carboxyltransferase subunit of the 3-methylcrotonyl-CoA carboxylase, an enzyme that catalyzes the conversion of 3-methylcrotonyl-CoA to 3-methylglutaconyl-CoA, a critical step for leucine and isovaleric acid catabolism.

AlphaFold DB (A0A3B3U1N5), UniProt , Accession A0A087XYW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 564 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	36.3	Very low	38.9	Very low	228 Å²	228	161.5 Å²	161.5	100%	1.123	80%	0.804	S	S	*	*				0	87.3	0	-106.5	162	160.1	0	0	107
2	L	34.6	Very low	38.8	Very low	144 Å²	144	166.8 Å²	166.8	75%	0.754	81%	0.807	S	S	*	*				83.2	92.6	104.6	-82.1	150.3	0	0	0	110.5
3	L	33.4	Very low	39.4	Very low	133 Å²	133	163.3 Å²	163.3	70%	0.696	81%	0.808	S	S	*	*				83.2	115.2	79.4	-90.5	156.8	0	0	0	113.6
4	H	37.1	Very low	39.7	Very low	174 Å²	174	169.2 Å²	169.2	81%	0.806	82%	0.817	S	S	*	*				167.9	105.6	123.2	-84.6	-41.1	0	0	0	109
5	S	44.1	Very low	40.4	Very low	89 Å²	89	166 Å²	166	62%	0.622	81%	0.811	S	S	*	*				61.5	105.6	67	75.6	0	0	0	0	115
6	V	36.8	Very low	41.2	Very low	146 Å²	146	163.8 Å²	163.8	89%	0.885	80%	0.803	S	S	*	*				-166.8	125.8	129.4	167.7	0	0	0	0	109.5
7	R	38.4	Very low	41.6	Very low	232 Å²	232	161.2 Å²	161.2	88%	0.875	80%	0.802	S	S	*	*			trans	-87.8	-164.3	168.7	-75.7	179.8	162.2	-173.6	-3.2	110
8	P	48.2	Very low	42.4	Very low	102 Å²	102	160 Å²	160	66%	0.662	80%	0.798	S	S	*	*				-120.6	156.4	-70.2	34.8	-19.4	0	0	0	111.2
9	W	36.9	Very low	43.1	Very low	244 Å²	244	156.8 Å²	156.8	92%	0.924	79%	0.79	S	S	*	*			trans	-123.8	105.8	159.7	-95.4	64.2	0	0	0	109.8	L11	W9-L11 HydrophobicContact CE3-CD1 4.42Å; W9-L11 HydrophobicContact CZ3-CD1 4.34Å
10	L	42.5	Very low	43.5	Very low	156 Å²	156	154.6 Å²	154.6	82%	0.817	79%	0.789	S	S	*	*			trans	-61.4	128.2	155.4	-81.6	146.2	0	0	0	108.2
11	L	39.3	Very low	44.4	Very low	129 Å²	129	152.7 Å²	152.7	68%	0.675	78%	0.784	S	S	*	*			trans	-173.2	124.3	134.9	-101.2	138.7	0	0	0	111.9	W9	W9-L11 HydrophobicContact CE3-CD1 4.42Å; W9-L11 HydrophobicContact CZ3-CD1 4.34Å
12	R	38.4	Very low	45.7	Very low	224 Å²	224	152.1 Å²	152.1	85%	0.845	77%	0.77	S	S	*	*			trans	79.4	103.7	149.9	-77.3	162.2	-175.2	-158.1	1.7	119.1	R14	R12-R14 PolarHBondContact O-N 3.21Å
13	C	45.7	Very low	47.2	Very low	122 Å²	122	152.1 Å²	152.1	82%	0.824	78%	0.776	S	S	*	*			trans	-15.9	118.1	138.7	-59.2	0	0	0	0	114.4
14	R	43.6	Very low	49	Very low	246 Å²	246	154.1 Å²	154.1	93%	0.928	78%	0.776	S	S	*	*			trans	-129	87.5	134	-83.5	-171.2	175	-174.1	-1.4	107.9	R12	R12-R14 PolarHBondContact O-N 3.21Å
15	V	51.3	Low	50.5	Low	121 Å²	121	157 Å²	157	73%	0.733	78%	0.781	S	S	*	*			trans	-54	131	145.9	177.5	0	0	0	0	105.9
16	L	52.3	Low	51.2	Low	130 Å²	130	155.6 Å²	155.6	68%	0.681	78%	0.775	S	S	*	*			trans	175.5	109.6	140.7	-86.9	157.2	0	0	0	107.7	L18	L16-L18 HydrophobicContact CD2-CD1 3.97Å; L16-L18 HydrophobicContact CD2-CD2 4.08Å; L16-L18 HydrophobicContact CD2-CG 3.5Å; L16-L18 VanDerWaalsContact CD2-CG 3.5Å
17	P	47.8	Very low	52.1	Low	121 Å²	121	155.9 Å²	155.9	79%	0.786	77%	0.772	S	S	*	*				-110.6	117.7	113.9	30.6	-28.1	0	0	0	106.8	P19	P17-P19 WeakPolarHBondContact O-CD 3.3Å
18	L	57	Low	53.3	Low	139 Å²	139	156.4 Å²	156.4	73%	0.728	77%	0.773	S	S	*	*			trans	-59	126.8	161.3	-78	150.3	0	0	0	106.6	L16 C20	L16-L18 HydrophobicContact CD2-CD1 3.97Å; L16-L18 HydrophobicContact CD2-CD2 4.08Å; L16-L18 HydrophobicContact CD2-CG 3.5Å; L16-L18 VanDerWaalsContact CD2-CG 3.5Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-C20 PolarHBondContact O-N 3.44Å
19	P	54.7	Low	54.6	Low	100 Å²	100	154.6 Å²	154.6	65%	0.649	76%	0.76	S	S	*	*			trans	-63	110.8	152.8	27.9	-26.3	0	0	0	104.3	P17 T21	P17-P19 WeakPolarHBondContact O-CD 3.3Å; P19-T21 PolarHBondContact O-N 2.99Å
20	C	51.3	Low	57	Low	112 Å²	112	146 Å²	146	76%	0.757	74%	0.741	S	S	*	*			trans	-66.1	84.4	166	-166.1	0	0	0	0	105.9	L18 R22	L18-C20 VanDerWaalsContact C-N 3.34Å; L18-C20 PolarHBondContact O-N 3.44Å; C20-R22 PolarHBondContact O-N 2.65Å
21	T	62.8	Low	59.4	Low	114 Å²	114	146.2 Å²	146.2	70%	0.699	73%	0.731	S	S	*	*			trans	-67.4	86.3	166.3	48.3	0	0	0	0	105.2	P19 T23	P19-T21 PolarHBondContact O-N 2.99Å; T21-T23 PolarHBondContact O-N 2.85Å
22	R	64.1	Low	62	Low	216 Å²	216	141.3 Å²	141.3	82%	0.815	71%	0.706	S	S	*	*			trans	-53.3	114	171.8	-80.3	-174.6	175.3	-171.6	-1	106.8	C20 Y24	C20-R22 PolarHBondContact O-N 2.65Å; R22-Y24 PolarHBondContact O-N 3.03Å
23	T	65.4	Low	64.3	Low	145 Å²	145	132.1 Å²	132.1	89%	0.89	68%	0.681	S	S	*	*			trans	-67.8	117.3	164.1	44.8	0	0	0	0	106.2	T21	T21-T23 PolarHBondContact O-N 2.85Å
24	Y	70.6	Confident	66.5	Low	175 Å²	175	129.1 Å²	129.1	69%	0.686	66%	0.661	S	S	*	*			trans	-122.5	151	171.8	69.8	-82.7	0	0	0	108.3	R22 A26	R22-Y24 PolarHBondContact O-N 3.03Å; Y24-A26 HydrophobicContact CD2-CB 4.34Å; Y24-A26 HydrophobicContact CE2-CB 3.79Å; Y24-A26 PolarHBondContact O-N 2.61Å
25	Y	69	Low	68.8	Low	234 Å²	234	125.6 Å²	125.6	92%	0.918	66%	0.655	S	S	*	*			trans	-68	100.1	169.3	-66.3	-80.4	0	0	0	107.4
26	A	58.5	Low	70.7	Confident	60 Å²	60	121 Å²	121	50%	0.496	63%	0.628	S	S	.	*			trans	-69.5	156.9	175.5	0	0	0	0	0	111.2	Y24 R28	Y24-A26 HydrophobicContact CD2-CB 4.34Å; Y24-A26 HydrophobicContact CE2-CB 3.79Å; Y24-A26 PolarHBondContact O-N 2.61Å; A26-R28 PolarHBondContact O-N 2.94Å
27	D	57.2	Low	72.7	Confident	152 Å²	152	119.5 Å²	119.5	81%	0.813	62%	0.621	S	S	*	*			trans	-63	57.4	-171.7	-55.2	-50.6	0	0	0	115.2	V29	D27-V29 PolarHBondContact O-N 3.39Å
28	R	62.4	Low	74.9	Confident	242 Å²	242	118.2 Å²	118.2	91%	0.913	60%	0.602	S	S	*	*			trans	-81.1	76.8	166.2	-71.4	-165.7	-174	-164.6	3.3	109.1	A26	A26-R28 PolarHBondContact O-N 2.94Å
29	V	76.6	Confident	76.7	Confident	64 Å²	64	119.2 Å²	119.2	39%	0.388	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-58	136.1	162.2	-177.1	0	0	0	0	108.1	D27 R31 K344 D346	D27-V29 PolarHBondContact O-N 3.39Å; V29-R31 PolarHBondContact O-N 3.43Å; V29-K344 HydrophobicContact CB-CB 4.23Å; V29-K344 HydrophobicContact CG1-CB 3.93Å; V29-D346 HydrophobicContact CG1-CB 4.22Å
30	A	86.8	Confident	78.8	Confident	64 Å²	64	116.2 Å²	116.2	53%	0.529	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-57.8	139.2	178.8	0	0	0	0	0	110.6	K344 F345	A30-K344 CarbonylContact O-C 3.59Å; A30-K344 WeakPolarHBondContact O-CA 3.48Å; A30-F345 PolarHBondContact O-N 3.41Å
31	R	92.8	Very high	80.9	Confident	161 Å²	161	115.6 Å²	115.6	61%	0.608	58%	0.581	S	S	*	*	B	Isolated β-bridge	trans	-96.9	128	172.6	-70.5	169.5	173.4	-161.8	1.4	108.1	V29 L312 S343 K344	V29-R31 PolarHBondContact O-N 3.43Å; R31-L312 HydrophobicContact CB-CD1 4.35Å; R31-L312 HydrophobicContact CG-CD1 4.17Å; R31-S343 CarbonylContact C-O 3.56Å; R31-S343 WeakPolarHBondContact CA-O 3.42Å; R31-K344 HydrophobicContact CG-CG 4.43Å
32	L	93.2	Very high	82.5	Confident	25 Å²	25	114.7 Å²	114.7	13%	0.131	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-89.2	168.2	172.1	-65.6	-178	0	0	0	111	F313 R333 I336 A337 S343 F345	L32-F313 WeakPolarHBondContact O-CE2 3.46Å; L32-R333 HydrophobicContact CD1-CB 4.02Å; L32-R333 HydrophobicContact CD1-CG 4.21Å; L32-R333 HydrophobicContact CD2-CB 4.48Å; L32-I336 HydrophobicContact CD1-CB 4.22Å; L32-I336 HydrophobicContact CD1-CG2 3.92Å; L32-A337 HydrophobicContact CB-CB 3.85Å; L32-S343 PolarHBondContact N-O 3.02Å; L32-F345 HydrophobicContact CD1-CB 3.34Å; L32-F345 HydrophobicContact CD1-CD1 3.51Å; L32-F345 HydrophobicContact CD1-CE1 4.37Å; L32-F345 HydrophobicContact CD1-CG 3.56Å; L32-F345 HydrophobicContact CG-CB 3.62Å; L32-F345 HydrophobicContact CG-CD1 4.26Å; L32-F345 HydrophobicContact CG-CG 4.3Å
33	G	87.5	Confident	84	Confident	31 Å²	31	105.3 Å²	105.3	32%	0.32	53%	0.534	S	S	.	.			trans	100.3	146	167	0	0	0	0	0	112.8	F313 E334	G33-F313 VanDerWaalsContact C-CZ 3.46Å; G33-F313 WeakPolarHBondContact O-CZ 3.41Å; G33-E334 WeakPolarHBondContact CA-OE2 3.38Å
34	S	91.6	Very high	85.6	Confident	60 Å²	60	102.9 Å²	102.9	42%	0.42	51%	0.513	S	S	.	.			trans	-119	159	173.4	57.6	0	0	0	0	110	P36 F313 E334 R338	S34-P36 WeakPolarHBondContact O-CD 3.35Å; S34-F313 WeakPolarHBondContact O-CE1 3.37Å; S34-E334 PolarHBondContact N-OE1 3.31Å; S34-E334 VanDerWaalsContact N-OE1 3.08Å; S34-E334 PolarHBondContact N-OE2 3.02Å; S34-E334 VanDerWaalsContact N-OE2 3.09Å; S34-E334 VanDerWaalsContact OG-CD 3.29Å; S34-E334 PolarHBondContact OG-OE1 3Å; S34-R338 PolarHBondContact O-NH2 2.95Å
35	Q	92.5	Very high	86.9	Confident	172 Å²	172	97.5 Å²	97.5	80%	0.804	49%	0.494	S	S	*	.			trans	-76.1	117.2	163.9	-72.1	-159.6	-0.7	0	0	107.9	F313	Q35-F313 HydrophobicContact CG-CE1 4.03Å
36	P	91.4	Very high	88.2	Confident	24 Å²	24	86.6 Å²	86.6	16%	0.156	45%	0.451	C	S	.	.			trans	-67.7	145.9	178.9	28.7	-33.5	0	0	0	109.6	S34 K38 Y43 E317	S34-P36 WeakPolarHBondContact O-CD 3.35Å; P36-K38 VanDerWaalsContact C-N 3.35Å; P36-K38 HydrophobicContact CG-CG 4.43Å; P36-K38 PolarHBondContact O-N 3.12Å; P36-Y43 HydrophobicContact CB-CD2 3.69Å; P36-Y43 HydrophobicContact CB-CE2 3.58Å; P36-Y43 HydrophobicContact CG-CD2 4.19Å; P36-Y43 HydrophobicContact CG-CE2 3.56Å; P36-E317 WeakPolarHBondContact CD-OE2 3.49Å; P36-E317 HydrophobicContact CG-CB 4.47Å; P36-E317 HydrophobicContact CG-CG 4.37Å
37	D	93.9	Very high	90.1	Very high	99 Å²	99	86.2 Å²	86.2	53%	0.529	44%	0.438	S	S	.	.			trans	-70.9	93.5	169.6	-179.5	5.5	0	0	0	109.5	H39 S40 Y43	D37-H39 PolarHBondContact O-N 3.3Å; D37-H39 VanDerWaalsContact O-N 3.17Å; D37-H39 WeakPolarHBondContact OD1-CB 3.49Å; D37-H39 PolarHBondContact OD1-N 3Å; D37-S40 WeakPolarHBondContact O-CB 3.28Å; D37-S40 PolarHBondContact O-N 3.31Å; D37-S40 PolarHBondContact O-OG 3.09Å; D37-S40 PolarHBondContact OD1-N 2.92Å; D37-Y43 WeakPolarHBondContact O-CB 3.43Å
38	K	94.1	Very high	92.1	Very high	93 Å²	93	84.3 Å²	84.3	40%	0.404	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12	-179.8	-57.6	-173.5	-177.9	-177.6	0	113.2	P36 Y43 Q44 E317	P36-K38 VanDerWaalsContact C-N 3.35Å; P36-K38 HydrophobicContact CG-CG 4.43Å; P36-K38 PolarHBondContact O-N 3.12Å; K38-Y43 HydrophobicContact CB-CD1 4.23Å; K38-Y43 HydrophobicContact CB-CE1 4.11Å; K38-Y43 HydrophobicContact CG-CD1 4.39Å; K38-Y43 HydrophobicContact CG-CE1 3.91Å; K38-Q44 WeakPolarHBondContact O-CG 3.34Å; K38-Q44 PolarHBondContact O-NE2 3.39Å; K38-E317 WeakPolarHBondContact CE-OE1 3.36Å; K38-E317 IonicContact NZ-OE1 3.58Å; K38-E317 PolarHBondContact NZ-OE1 3.41Å
39	H	95.1	Very high	93.8	Very high	160 Å²	160	77.6 Å²	77.6	74%	0.741	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-11	175.1	-61.3	-62.6	0	0	0	112.8	D37	D37-H39 PolarHBondContact O-N 3.3Å; D37-H39 VanDerWaalsContact O-N 3.17Å; D37-H39 WeakPolarHBondContact OD1-CB 3.49Å; D37-H39 PolarHBondContact OD1-N 3Å
40	S	97	Very high	94.8	Very high	37 Å²	37	74.6 Å²	74.6	26%	0.259	38%	0.38	S	S	.	.	S	Bend	trans	-62.5	139.4	173	71.9	0	0	0	0	110.6	D37 E42 Y43 Q44	D37-S40 WeakPolarHBondContact O-CB 3.28Å; D37-S40 PolarHBondContact O-N 3.31Å; D37-S40 PolarHBondContact O-OG 3.09Å; D37-S40 PolarHBondContact OD1-N 2.92Å; S40-E42 PolarHBondContact O-N 2.95Å; S40-Y43 PolarHBondContact O-N 3.11Å; S40-Y43 WeakPolarHBondContact OG-CB 3.36Å; S40-Y43 PolarHBondContact OG-N 2.98Å; S40-Q44 WeakPolarHBondContact O-CG 3.29Å; S40-Q44 PolarHBondContact O-N 2.98Å; S40-Q44 VanDerWaalsContact O-N 3.15Å
41	S	96.2	Very high	95.3	Very high	99 Å²	99	75.4 Å²	75.4	69%	0.692	37%	0.371	S	S	*	.	H	α-helix	trans	-60.6	-36.5	178.9	51.8	0	0	0	0	112.1	E45	S41-E45 WeakPolarHBondContact O-CB 3.48Å; S41-E45 PolarHBondContact O-N 3.47Å
42	E	95.6	Very high	95.6	Very high	95 Å²	95	71.3 Å²	71.3	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-49.1	177.7	-178.8	174	178.6	0	0	112	S40 Q44 E45 N46	S40-E42 PolarHBondContact O-N 2.95Å; E42-Q44 VanDerWaalsContact C-N 3.35Å; E42-Q44 PolarHBondContact O-N 3.07Å; E42-E45 PolarHBondContact O-N 3.37Å; E42-N46 WeakPolarHBondContact O-CB 3.29Å; E42-N46 VanDerWaalsContact O-CG 3.25Å; E42-N46 PolarHBondContact O-N 2.86Å
43	Y	97.1	Very high	95.9	Very high	19 Å²	19	71.5 Å²	71.5	8%	0.075	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-44.1	178.9	-178.7	-84.5	0	0	0	111.4	P36 D37 K38 S40 N46 Y47 E317 G320 I321	P36-Y43 HydrophobicContact CB-CD2 3.69Å; P36-Y43 HydrophobicContact CB-CE2 3.58Å; P36-Y43 HydrophobicContact CG-CD2 4.19Å; P36-Y43 HydrophobicContact CG-CE2 3.56Å; D37-Y43 WeakPolarHBondContact O-CB 3.43Å; K38-Y43 HydrophobicContact CB-CD1 4.23Å; K38-Y43 HydrophobicContact CB-CE1 4.11Å; K38-Y43 HydrophobicContact CG-CD1 4.39Å; K38-Y43 HydrophobicContact CG-CE1 3.91Å; S40-Y43 PolarHBondContact O-N 3.11Å; S40-Y43 WeakPolarHBondContact OG-CB 3.36Å; S40-Y43 PolarHBondContact OG-N 2.98Å; Y43-N46 PolarHBondContact O-N 2.84Å; Y43-Y47 HydrophobicContact CE1-CD2 4.04Å; Y43-Y47 HydrophobicContact CE1-CG 4.44Å; Y43-Y47 VanDerWaalsContact O-CB 3.23Å; Y43-Y47 WeakPolarHBondContact O-CB 3.47Å; Y43-Y47 PolarHBondContact O-N 2.78Å; Y43-E317 WeakPolarHBondContact OH-CA 3.26Å; Y43-G320 WeakPolarHBondContact O-CA 3.37Å; Y43-I321 HydrophobicContact CE2-CG1 4.45Å
44	Q	97.9	Very high	96.4	Very high	95 Å²	95	70.1 Å²	70.1	44%	0.444	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-44	179.4	-70.2	179.7	-9.2	0	0	111.8	K38 S40 E42 Y47 E48	K38-Q44 WeakPolarHBondContact O-CG 3.34Å; K38-Q44 PolarHBondContact O-NE2 3.39Å; S40-Q44 WeakPolarHBondContact O-CG 3.29Å; S40-Q44 PolarHBondContact O-N 2.98Å; S40-Q44 VanDerWaalsContact O-N 3.15Å; E42-Q44 VanDerWaalsContact C-N 3.35Å; E42-Q44 PolarHBondContact O-N 3.07Å; Q44-Y47 PolarHBondContact O-N 3.49Å; Q44-E48 WeakPolarHBondContact O-CB 3.07Å; Q44-E48 WeakPolarHBondContact O-CG 3.24Å; Q44-E48 PolarHBondContact O-N 3.34Å
45	E	97.6	Very high	96.7	Very high	62 Å²	62	70.3 Å²	70.3	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-48	176	-175	-173.8	-173.6	0	0	111.4	S41 E42 Y47 R49 R328	S41-E45 WeakPolarHBondContact O-CB 3.48Å; S41-E45 PolarHBondContact O-N 3.47Å; E42-E45 PolarHBondContact O-N 3.37Å; E45-Y47 VanDerWaalsContact C-N 3.34Å; E45-Y47 PolarHBondContact O-N 3.19Å; E45-R49 WeakPolarHBondContact O-CB 3.21Å; E45-R49 VanDerWaalsContact O-CG 3.31Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 3.32Å; E45-R49 IonicContact OE1-CZ 3.39Å; E45-R49 IonicContact OE1-NE 2.81Å; E45-R49 IonicContact OE1-NH1 2.79Å; E45-R49 IonicContact OE1-NH2 3.58Å; E45-R49 PolarHBondContact OE1-NH2 3Å; E45-R328 IonicContact OE1-NH2 3.57Å; E45-R328 IonicContact OE2-CZ 3.84Å; E45-R328 VanDerWaalsContact OE2-CZ 3.25Å; E45-R328 IonicContact OE2-NH1 3.59Å; E45-R328 PolarHBondContact OE2-NH1 3.05Å; E45-R328 IonicContact OE2-NH2 2.84Å; E45-R328 PolarHBondContact OE2-NH2 3.4Å
46	N	97.9	Very high	97	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-45.2	178.2	-74.1	-8.6	0	0	0	111.3	E42 Y43 R49 M50 Y319 G320 R328	E42-N46 WeakPolarHBondContact O-CB 3.29Å; E42-N46 VanDerWaalsContact O-CG 3.25Å; E42-N46 PolarHBondContact O-N 2.86Å; Y43-N46 PolarHBondContact O-N 2.84Å; N46-R49 PolarHBondContact O-N 2.94Å; N46-M50 WeakPolarHBondContact O-CB 3.23Å; N46-M50 PolarHBondContact O-N 3.38Å; N46-Y319 CarbonylContact C-O 3.55Å; N46-Y319 VanDerWaalsContact C-O 3.31Å; N46-G320 WeakPolarHBondContact CB-O 3.44Å; N46-G320 PolarHBondContact ND2-O 3.27Å; N46-R328 PolarHBondContact OD1-NH1 2.65Å
47	Y	98.3	Very high	97.4	Very high	52 Å²	52	64.7 Å²	64.7	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-51.1	-178.1	-171.8	-82.8	0	0	0	111.1	Y43 Q44 E45 R49 M50 K51 D316 Y319	Y43-Y47 HydrophobicContact CE1-CD2 4.04Å; Y43-Y47 HydrophobicContact CE1-CG 4.44Å; Y43-Y47 VanDerWaalsContact O-CB 3.23Å; Y43-Y47 WeakPolarHBondContact O-CB 3.47Å; Y43-Y47 PolarHBondContact O-N 2.78Å; Q44-Y47 PolarHBondContact O-N 3.49Å; E45-Y47 VanDerWaalsContact C-N 3.34Å; E45-Y47 PolarHBondContact O-N 3.19Å; Y47-R49 PolarHBondContact O-N 3.46Å; Y47-M50 PolarHBondContact O-N 3.17Å; Y47-K51 HydrophobicContact CE1-CD 4.17Å; Y47-K51 VanDerWaalsContact O-CB 3.22Å; Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 3.44Å; Y47-D316 WeakPolarHBondContact CE2-O 3.42Å; Y47-Y319 HydrophobicContact CD2-CD2 4.23Å; Y47-Y319 HydrophobicContact CD2-CG 4.45Å; Y47-Y319 AromaticContact CE2-CD2 3.73Å; Y47-Y319 HydrophobicContact CE2-CD2 3.73Å; Y47-Y319 HydrophobicContact CE2-CG 4.33Å; Y47-Y319 AromaticContact CZ-CD2 3.9Å
48	E	98	Very high	97.6	Very high	111 Å²	111	65.9 Å²	65.9	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-42.7	-179.9	-70.9	-57.1	140.3	0	0	111.8	Q44 K51 V52	Q44-E48 WeakPolarHBondContact O-CB 3.07Å; Q44-E48 WeakPolarHBondContact O-CG 3.24Å; Q44-E48 PolarHBondContact O-N 3.34Å; E48-K51 PolarHBondContact O-N 3.21Å; E48-V52 WeakPolarHBondContact O-CG2 3.35Å; E48-V52 PolarHBondContact O-N 3.46Å
49	R	97.9	Very high	97.8	Very high	102 Å²	102	66.4 Å²	66.4	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-43.9	179.4	-70.9	-173.3	-178.8	-174.9	6.2	113.1	E45 N46 Y47 K51 V52 L53 D324	E45-R49 WeakPolarHBondContact O-CB 3.21Å; E45-R49 VanDerWaalsContact O-CG 3.31Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 3.32Å; E45-R49 IonicContact OE1-CZ 3.39Å; E45-R49 IonicContact OE1-NE 2.81Å; E45-R49 IonicContact OE1-NH1 2.79Å; E45-R49 IonicContact OE1-NH2 3.58Å; E45-R49 PolarHBondContact OE1-NH2 3Å; N46-R49 PolarHBondContact O-N 2.94Å; Y47-R49 PolarHBondContact O-N 3.46Å; R49-K51 VanDerWaalsContact C-N 3.29Å; R49-K51 PolarHBondContact O-N 3.26Å; R49-V52 PolarHBondContact O-N 3.3Å; R49-L53 PolarHBondContact O-N 2.87Å; R49-D324 HydrophobicContact CB-CB 4.29Å; R49-D324 WeakPolarHBondContact CD-OD1 3.29Å; R49-D324 WeakPolarHBondContact CD-OD2 3.42Å; R49-D324 IonicContact NH1-OD1 2.74Å
50	M	98.5	Very high	97.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-41.3	174.8	-178.4	66.2	79.7	0	0	110.9	N46 Y47 V52 L53 V54 Y319 G323 W466 P467 N468 P535	N46-M50 WeakPolarHBondContact O-CB 3.23Å; N46-M50 PolarHBondContact O-N 3.38Å; Y47-M50 PolarHBondContact O-N 3.17Å; M50-V52 VanDerWaalsContact C-N 3.32Å; M50-V52 PolarHBondContact O-N 3.45Å; M50-L53 WeakPolarHBondContact O-CA 3.24Å; M50-L53 WeakPolarHBondContact O-CB 3.19Å; M50-L53 PolarHBondContact O-N 3.23Å; M50-V54 HydrophobicContact CG-CG2 4.32Å; M50-V54 WeakPolarHBondContact O-CG2 3.33Å; M50-V54 PolarHBondContact O-N 2.93Å; M50-Y319 HydrophobicContact CB-CG 4.41Å; M50-Y319 HydrophobicContact CG-CD1 3.67Å; M50-Y319 HydrophobicContact CG-CG 3.99Å; M50-G323 WeakPolarHBondContact CE-O 3.37Å; M50-W466 HydrophobicContact CE-CE3 4.41Å; M50-P467 HydrophobicContact SD-CG 4.07Å; M50-N468 HydrophobicContact CE-CB 3.82Å; M50-N468 HydrophobicContact SD-CB 4.2Å; M50-P535 HydrophobicContact CE-CG 4.19Å; M50-P535 HydrophobicContact CG-CG 4.36Å; M50-P535 HydrophobicContact SD-CG 3.9Å
51	K	98.2	Very high	98	Very high	81 Å²	81	60.7 Å²	60.7	35%	0.352	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-43	177.3	-176.5	172.9	-177.1	168.7	0	112.1	Y47 E48 R49 L53 V54 D55	Y47-K51 HydrophobicContact CE1-CD 4.17Å; Y47-K51 VanDerWaalsContact O-CB 3.22Å; Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 3.44Å; E48-K51 PolarHBondContact O-N 3.21Å; R49-K51 VanDerWaalsContact C-N 3.29Å; R49-K51 PolarHBondContact O-N 3.26Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.13Å; K51-V54 PolarHBondContact O-N 2.83Å; K51-D55 WeakPolarHBondContact O-CB 3.34Å; K51-D55 PolarHBondContact O-N 3.14Å
52	V	98.6	Very high	98	Very high	75 Å²	75	60.9 Å²	60.9	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-57	-43.1	173	169.7	0	0	0	0	111.5	E48 R49 M50 D55 Q56	E48-V52 WeakPolarHBondContact O-CG2 3.35Å; E48-V52 PolarHBondContact O-N 3.46Å; R49-V52 PolarHBondContact O-N 3.3Å; M50-V52 VanDerWaalsContact C-N 3.32Å; M50-V52 PolarHBondContact O-N 3.45Å; V52-D55 PolarHBondContact O-N 2.95Å; V52-Q56 VanDerWaalsContact O-CG 3.25Å; V52-Q56 WeakPolarHBondContact O-CG 3.19Å; V52-Q56 PolarHBondContact O-N 2.87Å
53	L	98.6	Very high	98.1	Very high	30 Å²	30	63.5 Å²	63.5	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-37.4	177.9	-63.3	179.5	0	0	0	112.6	R49 M50 K51 Q56 L57 D324 P467 N468	R49-L53 PolarHBondContact O-N 2.87Å; M50-L53 WeakPolarHBondContact O-CA 3.24Å; M50-L53 WeakPolarHBondContact O-CB 3.19Å; M50-L53 PolarHBondContact O-N 3.23Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.13Å; L53-Q56 PolarHBondContact O-N 3.05Å; L53-L57 WeakPolarHBondContact O-CB 3.26Å; L53-L57 PolarHBondContact O-N 2.85Å; L53-D324 HydrophobicContact CD1-CB 3.73Å; L53-P467 HydrophobicContact CB-CB 4.04Å; L53-P467 HydrophobicContact CB-CG 4.18Å; L53-N468 HydrophobicContact CD1-CB 3.94Å
54	V	98.6	Very high	98.2	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-42.8	175	168.3	0	0	0	0	111.2	M50 K51 Q56 L57 R58 Y319 P467 D534	M50-V54 HydrophobicContact CG-CG2 4.32Å; M50-V54 WeakPolarHBondContact O-CG2 3.33Å; M50-V54 PolarHBondContact O-N 2.93Å; K51-V54 PolarHBondContact O-N 2.83Å; V54-Q56 VanDerWaalsContact C-N 3.35Å; V54-Q56 PolarHBondContact O-N 3.16Å; V54-L57 WeakPolarHBondContact O-CB 3.41Å; V54-L57 PolarHBondContact O-N 2.79Å; V54-R58 WeakPolarHBondContact O-CG 3.37Å; V54-R58 PolarHBondContact O-N 3.18Å; V54-Y319 HydrophobicContact CG2-CE1 4.17Å; V54-P467 HydrophobicContact CG2-CG 4.2Å; V54-D534 VanDerWaalsContact CG1-OD2 3.24Å; V54-D534 WeakPolarHBondContact CG1-OD2 3.4Å
55	D	98.6	Very high	98.2	Very high	63 Å²	63	62.3 Å²	62.3	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-40.5	176.9	-70.4	-22.8	0	0	0	110.8	K51 V52 L57 R58 D59	K51-D55 WeakPolarHBondContact O-CB 3.34Å; K51-D55 PolarHBondContact O-N 3.14Å; V52-D55 PolarHBondContact O-N 2.95Å; D55-L57 VanDerWaalsContact C-N 3.35Å; D55-L57 PolarHBondContact O-N 2.79Å; D55-R58 PolarHBondContact O-N 3.03Å; D55-R58 IonicContact OD1-NH1 2.76Å; D55-D59 WeakPolarHBondContact O-CB 3.31Å; D55-D59 PolarHBondContact O-N 3.03Å
56	Q	98.5	Very high	98.1	Very high	71 Å²	71	62.8 Å²	62.8	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-40.9	171.7	-72.9	175	13.3	0	0	112.8	V52 L53 V54 R58 R60	V52-Q56 VanDerWaalsContact O-CG 3.25Å; V52-Q56 WeakPolarHBondContact O-CG 3.19Å; V52-Q56 PolarHBondContact O-N 2.87Å; L53-Q56 PolarHBondContact O-N 3.05Å; V54-Q56 VanDerWaalsContact C-N 3.35Å; V54-Q56 PolarHBondContact O-N 3.16Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R60 WeakPolarHBondContact O-CB 3.29Å; Q56-R60 WeakPolarHBondContact O-CD 3.44Å; Q56-R60 WeakPolarHBondContact O-CG 3.22Å; Q56-R60 PolarHBondContact O-N 2.85Å
57	L	98.6	Very high	98.1	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-46.7	175.4	171.6	62.7	0	0	0	110.5	L53 V54 D55 T61 F104 Y521 I532	L53-L57 WeakPolarHBondContact O-CB 3.26Å; L53-L57 PolarHBondContact O-N 2.85Å; V54-L57 WeakPolarHBondContact O-CB 3.41Å; V54-L57 PolarHBondContact O-N 2.79Å; D55-L57 VanDerWaalsContact C-N 3.35Å; D55-L57 PolarHBondContact O-N 2.79Å; L57-T61 VanDerWaalsContact O-CB 3.31Å; L57-T61 WeakPolarHBondContact O-CB 3.37Å; L57-T61 PolarHBondContact O-N 3.17Å; L57-T61 PolarHBondContact O-OG1 3.48Å; L57-F104 HydrophobicContact CD1-CE2 3.49Å; L57-F104 VanDerWaalsContact CD1-CE2 3.49Å; L57-F104 HydrophobicContact CD1-CZ 3.72Å; L57-Y521 WeakPolarHBondContact CA-OH 3.28Å; L57-Y521 HydrophobicContact CD1-CE1 4.44Å; L57-Y521 PolarHBondContact N-OH 3.17Å; L57-I532 HydrophobicContact CD1-CB 3.83Å; L57-I532 HydrophobicContact CD1-CG2 3.85Å; L57-I532 HydrophobicContact CD2-CG2 3.93Å; L57-I532 HydrophobicContact CG-CG2 4.5Å
58	R	98.4	Very high	98.1	Very high	124 Å²	124	62 Å²	62	47%	0.468	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-50.9	177.6	-70.8	170.1	-176.9	175.7	1.2	111.3	V54 D55 Q56 R60 T61 E62 D534	V54-R58 WeakPolarHBondContact O-CG 3.37Å; V54-R58 PolarHBondContact O-N 3.18Å; D55-R58 PolarHBondContact O-N 3.03Å; D55-R58 IonicContact OD1-NH1 2.76Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; R58-R60 VanDerWaalsContact C-N 3.34Å; R58-R60 PolarHBondContact O-N 2.9Å; R58-T61 WeakPolarHBondContact O-CB 3.26Å; R58-T61 PolarHBondContact O-N 2.97Å; R58-T61 VanDerWaalsContact O-N 3.12Å; R58-E62 WeakPolarHBondContact O-CG 3.19Å; R58-E62 PolarHBondContact O-N 3.23Å; R58-D534 IonicContact CZ-OD2 2.77Å; R58-D534 IonicContact NE-OD2 3.59Å; R58-D534 IonicContact NH2-OD2 2.73Å; R58-D534 PolarHBondContact NH2-OD2 3Å
59	D	98.4	Very high	98	Very high	103 Å²	103	57.9 Å²	57.9	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-58.5	-43.7	179.9	-77.2	-12.2	0	0	0	112.8	D55 E62 K63	D55-D59 WeakPolarHBondContact O-CB 3.31Å; D55-D59 PolarHBondContact O-N 3.03Å; D59-E62 PolarHBondContact O-N 3.16Å; D59-K63 WeakPolarHBondContact O-CG 3.47Å; D59-K63 PolarHBondContact O-N 3Å; D59-K63 VanDerWaalsContact O-N 3.14Å
60	R	98.3	Very high	97.9	Very high	65 Å²	65	57.5 Å²	57.5	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-37.7	177.9	-66.5	169.7	-172.4	-155.4	2.1	111.4	Q56 R58 K63 I64 F104 Y521	Q56-R60 WeakPolarHBondContact O-CB 3.29Å; Q56-R60 WeakPolarHBondContact O-CD 3.44Å; Q56-R60 WeakPolarHBondContact O-CG 3.22Å; Q56-R60 PolarHBondContact O-N 2.85Å; R58-R60 VanDerWaalsContact C-N 3.34Å; R58-R60 PolarHBondContact O-N 2.9Å; R60-K63 PolarHBondContact O-N 3.1Å; R60-I64 WeakPolarHBondContact O-CG1 3.36Å; R60-I64 PolarHBondContact O-N 3.12Å; R60-F104 HydrophobicContact CB-CE1 3.69Å; R60-F104 HydrophobicContact CB-CZ 3.89Å; R60-Y521 VanDerWaalsContact CD-CE1 3.43Å; R60-Y521 VanDerWaalsContact NH1-CZ 3.31Å
61	T	98.1	Very high	97.9	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.08	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-43.2	175.9	-58.2	0	0	0	0	111.1	L57 R58 K63 I64 K65	L57-T61 VanDerWaalsContact O-CB 3.31Å; L57-T61 WeakPolarHBondContact O-CB 3.37Å; L57-T61 PolarHBondContact O-N 3.17Å; L57-T61 PolarHBondContact O-OG1 3.48Å; R58-T61 WeakPolarHBondContact O-CB 3.26Å; R58-T61 PolarHBondContact O-N 2.97Å; R58-T61 VanDerWaalsContact O-N 3.12Å; T61-K63 VanDerWaalsContact C-N 3.32Å; T61-K63 PolarHBondContact O-N 3.11Å; T61-I64 PolarHBondContact O-N 3.06Å; T61-K65 WeakPolarHBondContact O-CG 3.5Å; T61-K65 PolarHBondContact O-N 3.11Å
62	E	97.6	Very high	97.8	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-38.2	175.7	-69.9	-50.8	124.5	0	0	112.3	R58 D59 K65	R58-E62 WeakPolarHBondContact O-CG 3.19Å; R58-E62 PolarHBondContact O-N 3.23Å; D59-E62 PolarHBondContact O-N 3.16Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-K65 WeakPolarHBondContact OE1-CD 3.43Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 3.25Å
63	K	97.6	Very high	97.8	Very high	149 Å²	149	63.4 Å²	63.4	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-45.2	172	-70.2	172.9	-174.3	174.4	0	112.1	D59 R60 T61 K65 L66	D59-K63 WeakPolarHBondContact O-CG 3.47Å; D59-K63 PolarHBondContact O-N 3Å; D59-K63 VanDerWaalsContact O-N 3.14Å; R60-K63 PolarHBondContact O-N 3.1Å; T61-K63 VanDerWaalsContact C-N 3.32Å; T61-K63 PolarHBondContact O-N 3.11Å; K63-K65 VanDerWaalsContact C-N 3.27Å; K63-K65 PolarHBondContact O-N 3.45Å; K63-L66 WeakPolarHBondContact O-CB 3.47Å; K63-L66 PolarHBondContact O-N 2.95Å; K63-L66 VanDerWaalsContact O-N 3.14Å
64	I	98	Very high	97.8	Very high	12 Å²	12	68.7 Å²	68.7	6%	0.062	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-37.3	178	-73.3	167.1	0	0	0	111.4	R60 T61 L66 G67 Q103 F104 Y107 P116 A117	R60-I64 WeakPolarHBondContact O-CG1 3.36Å; R60-I64 PolarHBondContact O-N 3.12Å; T61-I64 PolarHBondContact O-N 3.06Å; I64-L66 PolarHBondContact O-N 2.81Å; I64-L66 VanDerWaalsContact O-N 3.14Å; I64-G67 PolarHBondContact O-N 3.44Å; I64-Q103 WeakPolarHBondContact CG2-O 3.34Å; I64-F104 HydrophobicContact CD1-CD1 3.42Å; I64-F104 VanDerWaalsContact CD1-CD1 3.42Å; I64-F104 HydrophobicContact CD1-CD2 4.47Å; I64-F104 HydrophobicContact CD1-CE1 3.44Å; I64-F104 VanDerWaalsContact CD1-CE1 3.44Å; I64-F104 HydrophobicContact CD1-CE2 4.47Å; I64-F104 HydrophobicContact CD1-CG 3.96Å; I64-F104 HydrophobicContact CD1-CZ 3.99Å; I64-Y107 HydrophobicContact CD1-CD2 4.34Å; I64-P116 HydrophobicContact CG2-CB 4.3Å; I64-A117 HydrophobicContact CG2-CB 3.88Å
65	K	97.2	Very high	97.7	Very high	78 Å²	78	73.1 Å²	73.1	34%	0.339	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-18.9	178.2	-75.1	174.5	179.1	171.2	0	113.6	T61 E62 K63 G67	T61-K65 WeakPolarHBondContact O-CG 3.5Å; T61-K65 PolarHBondContact O-N 3.11Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-K65 WeakPolarHBondContact OE1-CD 3.43Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 3.25Å; K63-K65 VanDerWaalsContact C-N 3.27Å; K63-K65 PolarHBondContact O-N 3.45Å; K65-G67 PolarHBondContact O-N 3.23Å
66	L	97.3	Very high	97.7	Very high	71 Å²	71	70.4 Å²	70.4	37%	0.372	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.4	175.2	-57.5	177.1	0	0	0	113.6	K63 I64 G68 G69 R73	K63-L66 WeakPolarHBondContact O-CB 3.47Å; K63-L66 PolarHBondContact O-N 2.95Å; K63-L66 VanDerWaalsContact O-N 3.14Å; I64-L66 PolarHBondContact O-N 2.81Å; I64-L66 VanDerWaalsContact O-N 3.14Å; L66-G68 PolarHBondContact O-N 2.86Å; L66-G69 PolarHBondContact O-N 2.97Å; L66-R73 VanDerWaalsContact CD2-NH1 3.28Å; L66-R73 WeakPolarHBondContact O-CD 3.34Å
67	G	97.6	Very high	97.7	Very high	7 Å²	7	70 Å²	70	7%	0.072	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-129.8	179.4	0	0	0	0	0	111.7	I64 K65 G69 P116 D138	I64-G67 PolarHBondContact O-N 3.44Å; K65-G67 PolarHBondContact O-N 3.23Å; G67-G69 PolarHBondContact O-N 3.12Å; G67-P116 WeakPolarHBondContact O-CG 3.48Å; G67-D138 WeakPolarHBondContact CA-OD2 3.37Å
68	G	96.7	Very high	97.7	Very high	35 Å²	35	73.9 Å²	73.9	36%	0.361	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	9.6	177.5	0	0	0	0	0	115.9	L66 A72 T140	L66-G68 PolarHBondContact O-N 2.86Å; G68-A72 WeakPolarHBondContact O-CB 3.44Å; G68-T140 WeakPolarHBondContact CA-O 3.22Å; G68-T140 PolarHBondContact N-OG1 2.85Å
69	G	96.6	Very high	97.5	Very high	23 Å²	23	75.8 Å²	75.8	24%	0.237	38%	0.378	C	S	.	.	H	α-helix	trans	81.8	170.4	-178.8	0	0	0	0	0	114	L66 G67 K71 A72 R73	L66-G69 PolarHBondContact O-N 2.97Å; G67-G69 PolarHBondContact O-N 3.12Å; G69-K71 VanDerWaalsContact C-N 3.3Å; G69-K71 PolarHBondContact O-N 2.96Å; G69-A72 PolarHBondContact O-N 3.18Å; G69-A72 VanDerWaalsContact O-N 3.08Å; G69-R73 WeakPolarHBondContact O-CG 3.34Å; G69-R73 PolarHBondContact O-N 3.3Å
70	E	96.6	Very high	97.4	Very high	94 Å²	94	73.9 Å²	73.9	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-56.7	-37.9	-169.8	-73.4	-57.6	133.1	0	0	114.4	R73 K74	E70-R73 PolarHBondContact O-N 2.86Å; E70-R73 IonicContact OE1-CZ 3.51Å; E70-R73 IonicContact OE1-NH1 3.56Å; E70-R73 PolarHBondContact OE1-NH1 3.43Å; E70-K74 WeakPolarHBondContact O-CB 3.4Å; E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 3.26Å
71	K	97.1	Very high	97.4	Very high	189 Å²	189	71.7 Å²	71.7	82%	0.822	38%	0.375	S	S	*	.	H	α-helix	trans	-64.1	-44.8	178.1	-174.9	-179.8	178.3	-179.1	0	111.7	G69 L75	G69-K71 VanDerWaalsContact C-N 3.3Å; G69-K71 PolarHBondContact O-N 2.96Å; K71-L75 PolarHBondContact O-N 3.3Å; K71-L75 VanDerWaalsContact O-N 3.15Å
72	A	97.6	Very high	97.4	Very high	26 Å²	26	72 Å²	72	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-70	-39.6	179.7	0	0	0	0	0	111.4	G68 G69 L75 H76	G68-A72 WeakPolarHBondContact O-CB 3.44Å; G69-A72 PolarHBondContact O-N 3.18Å; G69-A72 VanDerWaalsContact O-N 3.08Å; A72-L75 PolarHBondContact O-N 3.08Å; A72-H76 WeakPolarHBondContact O-CB 3.49Å; A72-H76 PolarHBondContact O-N 3.42Å
73	R	98	Very high	97.5	Very high	66 Å²	66	67.8 Å²	67.8	25%	0.249	36%	0.356	C	S	.	.	H	α-helix	trans	-59.7	-48.2	174.7	-68.1	176.1	71.2	178.7	13	112.1	L66 G69 E70 L75 H76 T77 L83 T140	L66-R73 VanDerWaalsContact CD2-NH1 3.28Å; L66-R73 WeakPolarHBondContact O-CD 3.34Å; G69-R73 WeakPolarHBondContact O-CG 3.34Å; G69-R73 PolarHBondContact O-N 3.3Å; E70-R73 PolarHBondContact O-N 2.86Å; E70-R73 IonicContact OE1-CZ 3.51Å; E70-R73 IonicContact OE1-NH1 3.56Å; E70-R73 PolarHBondContact OE1-NH1 3.43Å; R73-L75 VanDerWaalsContact C-N 3.33Å; R73-L75 PolarHBondContact O-N 3.02Å; R73-H76 WeakPolarHBondContact O-CB 3.43Å; R73-H76 PolarHBondContact O-N 3.17Å; R73-H76 VanDerWaalsContact O-N 3.14Å; R73-T77 PolarHBondContact O-N 3.01Å; R73-T77 PolarHBondContact O-OG1 3.35Å; R73-L83 HydrophobicContact CB-CD2 4.09Å; R73-L83 HydrophobicContact CG-CD1 4.49Å; R73-L83 HydrophobicContact CG-CD2 4.02Å; R73-T140 HydrophobicContact CG-CG2 4.28Å
74	K	98	Very high	97.5	Very high	140 Å²	140	60.8 Å²	60.8	61%	0.609	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-39.2	176.9	-73.3	177.5	-175.8	-178.5	0	112.7	E70 H76 T77 S78	E70-K74 WeakPolarHBondContact O-CB 3.4Å; E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 3.26Å; K74-H76 VanDerWaalsContact C-N 3.34Å; K74-T77 PolarHBondContact O-OG1 2.97Å; K74-S78 VanDerWaalsContact O-CB 3.29Å; K74-S78 WeakPolarHBondContact O-CB 3.22Å; K74-S78 PolarHBondContact O-N 2.7Å; K74-S78 PolarHBondContact O-OG 3.5Å
75	L	97.8	Very high	97.5	Very high	95 Å²	95	62.6 Å²	62.6	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-67.7	-34.8	175.1	179.1	61.8	0	0	0	112.3	K71 A72 R73 S78 R79	K71-L75 PolarHBondContact O-N 3.3Å; K71-L75 VanDerWaalsContact O-N 3.15Å; A72-L75 PolarHBondContact O-N 3.08Å; R73-L75 VanDerWaalsContact C-N 3.33Å; R73-L75 PolarHBondContact O-N 3.02Å; L75-S78 PolarHBondContact O-OG 2.92Å; L75-R79 WeakPolarHBondContact O-CG 3.34Å
76	H	98.1	Very high	97.6	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.028	33%	0.331	C	S	.	.	H	α-helix	trans	-68.9	-47.9	176.2	-176.7	89.2	0	0	0	111.3	A72 R73 K74 R79 K81 L82 L83 T140 D173	A72-H76 WeakPolarHBondContact O-CB 3.49Å; A72-H76 PolarHBondContact O-N 3.42Å; R73-H76 WeakPolarHBondContact O-CB 3.43Å; R73-H76 PolarHBondContact O-N 3.17Å; R73-H76 VanDerWaalsContact O-N 3.14Å; K74-H76 VanDerWaalsContact C-N 3.34Å; H76-R79 WeakPolarHBondContact O-CB 3.42Å; H76-R79 PolarHBondContact O-N 3.13Å; H76-K81 VanDerWaalsContact CE1-CE 3.47Å; H76-K81 WeakPolarHBondContact CE1-CE 3.49Å; H76-K81 WeakPolarHBondContact NE2-CB 3.3Å; H76-L82 PolarHBondContact NE2-O 3.03Å; H76-L83 HydrophobicContact CB-CD2 4.48Å; H76-T140 HydrophobicContact CB-CG2 3.88Å; H76-D173 IonicContact CE1-OD2 2.78Å
77	T	97.9	Very high	97.7	Very high	62 Å²	62	58.8 Å²	58.8	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-72.1	-28.5	-179.3	57	0	0	0	0	113.1	R73 K74 R79 G80 L83	R73-T77 PolarHBondContact O-N 3.01Å; R73-T77 PolarHBondContact O-OG1 3.35Å; K74-T77 PolarHBondContact O-OG1 2.97Å; T77-R79 PolarHBondContact O-N 3.26Å; T77-R79 VanDerWaalsContact O-N 3.13Å; T77-G80 PolarHBondContact O-N 2.95Å; T77-L83 HydrophobicContact CG2-CD1 4.46Å; T77-L83 HydrophobicContact CG2-CD2 4.19Å; T77-L83 HydrophobicContact CG2-CG 3.97Å
78	S	97.8	Very high	97.7	Very high	90 Å²	90	58.6 Å²	58.6	63%	0.629	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16	173.7	72.6	0	0	0	0	113.6	K74 L75 G80	K74-S78 VanDerWaalsContact O-CB 3.29Å; K74-S78 WeakPolarHBondContact O-CB 3.22Å; K74-S78 PolarHBondContact O-N 2.7Å; K74-S78 PolarHBondContact O-OG 3.5Å; L75-S78 PolarHBondContact O-OG 2.92Å; S78-G80 VanDerWaalsContact C-N 3.28Å
79	R	96.1	Very high	97.8	Very high	165 Å²	165	62.4 Å²	62.4	62%	0.623	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	5.2	172.5	-61.6	167.9	179	173.8	-2.3	113	L75 H76 T77 K81	L75-R79 WeakPolarHBondContact O-CG 3.34Å; H76-R79 WeakPolarHBondContact O-CB 3.42Å; H76-R79 PolarHBondContact O-N 3.13Å; T77-R79 PolarHBondContact O-N 3.26Å; T77-R79 VanDerWaalsContact O-N 3.13Å; R79-K81 VanDerWaalsContact C-N 3.3Å; R79-K81 HydrophobicContact CB-CD 4.22Å; R79-K81 HydrophobicContact CB-CG 4.15Å; R79-K81 PolarHBondContact O-N 2.91Å
80	G	96.1	Very high	97.9	Very high	63 Å²	63	67.3 Å²	67.3	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	10	-178	0	0	0	0	0	114.6	T77 S78	T77-G80 PolarHBondContact O-N 2.95Å; S78-G80 VanDerWaalsContact C-N 3.28Å
81	K	98.1	Very high	98	Very high	19 Å²	19	62.9 Å²	62.9	8%	0.083	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-90.1	142.5	-177.2	-56.8	179	65.8	178.4	0	111.1	H76 R79 R87 D173 M214 Q237	H76-K81 VanDerWaalsContact CE1-CE 3.47Å; H76-K81 WeakPolarHBondContact CE1-CE 3.49Å; H76-K81 WeakPolarHBondContact NE2-CB 3.3Å; R79-K81 VanDerWaalsContact C-N 3.3Å; R79-K81 HydrophobicContact CB-CD 4.22Å; R79-K81 HydrophobicContact CB-CG 4.15Å; R79-K81 PolarHBondContact O-N 2.91Å; K81-R87 VanDerWaalsContact CE-NH2 3.34Å; K81-D173 WeakPolarHBondContact CE-OD2 3.26Å; K81-D173 IonicContact NZ-OD1 3.51Å; K81-D173 PolarHBondContact NZ-OD1 3.39Å; K81-D173 IonicContact NZ-OD2 3.4Å; K81-D173 PolarHBondContact NZ-OD2 2.98Å; K81-M214 WeakPolarHBondContact CE-O 3.43Å; K81-M214 PolarHBondContact NZ-O 3.32Å; K81-Q237 HydrophobicContact CD-CG 4.26Å; K81-Q237 HydrophobicContact CG-CG 4.24Å
82	L	98.6	Very high	98.1	Very high	20 Å²	20	54.6 Å²	54.6	11%	0.105	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-73.7	148.6	168.5	-64.3	-178.6	0	0	0	110.5	H76 E86 R87 D281 L285	H76-L82 PolarHBondContact NE2-O 3.03Å; L82-E86 HydrophobicContact CB-CB 4.42Å; L82-R87 HydrophobicContact CB-CG 3.69Å; L82-R87 HydrophobicContact CD1-CG 4.46Å; L82-R87 PolarHBondContact O-NE 3.33Å; L82-R87 VanDerWaalsContact O-NE 3.13Å; L82-D281 HydrophobicContact CB-CB 4.24Å; L82-D281 WeakPolarHBondContact CB-OD2 3.49Å; L82-D281 HydrophobicContact CD1-CB 3.79Å; L82-D281 HydrophobicContact CG-CB 3.81Å; L82-D281 PolarHBondContact N-OD2 3Å; L82-L285 HydrophobicContact CD1-CD1 4.34Å
83	L	98.6	Very high	98.1	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.068	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-68.3	152.4	172	-68.7	171.3	0	0	0	110.7	R73 H76 T77 R85 E86 R87 T140	R73-L83 HydrophobicContact CB-CD2 4.09Å; R73-L83 HydrophobicContact CG-CD1 4.49Å; R73-L83 HydrophobicContact CG-CD2 4.02Å; H76-L83 HydrophobicContact CB-CD2 4.48Å; T77-L83 HydrophobicContact CG2-CD1 4.46Å; T77-L83 HydrophobicContact CG2-CD2 4.19Å; T77-L83 HydrophobicContact CG2-CG 3.97Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.3Å; L83-E86 HydrophobicContact CB-CB 4.41Å; L83-E86 HydrophobicContact CB-CG 4.02Å; L83-E86 PolarHBondContact N-OE2 2.79Å; L83-E86 WeakPolarHBondContact O-CB 3.35Å; L83-E86 PolarHBondContact O-N 3Å; L83-R87 WeakPolarHBondContact O-CG 3.27Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-T140 HydrophobicContact CD2-CG2 3.98Å
84	P	98.3	Very high	98.1	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-52.4	-43.5	-179.3	-27.1	32.5	0	0	0	114.7	R87 I88 I121 N137 D138	P84-R87 WeakPolarHBondContact O-CB 3.4Å; P84-R87 PolarHBondContact O-N 3.36Å; P84-I88 WeakPolarHBondContact O-CG1 3.37Å; P84-I88 PolarHBondContact O-N 3.42Å; P84-I88 VanDerWaalsContact O-N 3.12Å; P84-I121 HydrophobicContact CB-CD1 3.58Å; P84-N137 WeakPolarHBondContact CG-O 3.37Å; P84-D138 HydrophobicContact CG-CB 4Å
85	R	98.3	Very high	98	Very high	51 Å²	51	54.8 Å²	54.8	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-39.5	177	-66.8	-174.8	176.5	-82	-2	112.2	L83 R87 I88 D89 E100 I121	L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.3Å; R85-R87 VanDerWaalsContact C-N 3.28Å; R85-R87 PolarHBondContact O-N 2.91Å; R85-I88 PolarHBondContact O-N 2.69Å; R85-D89 PolarHBondContact O-N 2.8Å; R85-E100 IonicContact CZ-OE1 2.85Å; R85-E100 IonicContact CZ-OE2 2.92Å; R85-E100 VanDerWaalsContact NH1-CD 3.34Å; R85-E100 IonicContact NH1-OE1 2.72Å; R85-E100 PolarHBondContact NH1-OE1 2.76Å; R85-E100 IonicContact NH1-OE2 3.28Å; R85-E100 PolarHBondContact NH1-OE2 3.01Å; R85-E100 IonicContact NH2-OE1 3.16Å; R85-E100 PolarHBondContact NH2-OE1 3Å; R85-E100 IonicContact NH2-OE2 3.74Å; R85-E100 PolarHBondContact NH2-OE2 2.81Å; R85-I121 HydrophobicContact CG-CD1 3.5Å; R85-I121 VanDerWaalsContact CG-CD1 3.5Å; R85-I121 HydrophobicContact CG-CG1 4.29Å
86	E	98.4	Very high	98	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-35	174.5	-62.3	170.8	174.5	0	0	111.9	L82 L83 D89 R90	L82-E86 HydrophobicContact CB-CB 4.42Å; L83-E86 HydrophobicContact CB-CB 4.41Å; L83-E86 HydrophobicContact CB-CG 4.02Å; L83-E86 PolarHBondContact N-OE2 2.79Å; L83-E86 WeakPolarHBondContact O-CB 3.35Å; L83-E86 PolarHBondContact O-N 3Å; E86-D89 PolarHBondContact O-N 2.81Å; E86-R90 WeakPolarHBondContact O-CB 2.9Å; E86-R90 WeakPolarHBondContact O-CG 3.44Å; E86-R90 PolarHBondContact O-N 2.75Å
87	R	98.8	Very high	98	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-43.3	174.2	-67.9	167.6	171.2	171.9	-4.8	111.2	K81 L82 L83 P84 R85 L91 L171 D173 M214 D281 L285	K81-R87 VanDerWaalsContact CE-NH2 3.34Å; L82-R87 HydrophobicContact CB-CG 3.69Å; L82-R87 HydrophobicContact CD1-CG 4.46Å; L82-R87 PolarHBondContact O-NE 3.33Å; L82-R87 VanDerWaalsContact O-NE 3.13Å; L83-R87 WeakPolarHBondContact O-CG 3.27Å; L83-R87 PolarHBondContact O-N 3.24Å; P84-R87 WeakPolarHBondContact O-CB 3.4Å; P84-R87 PolarHBondContact O-N 3.36Å; R85-R87 VanDerWaalsContact C-N 3.28Å; R85-R87 PolarHBondContact O-N 2.91Å; R87-L91 VanDerWaalsContact O-CB 3.31Å; R87-L91 WeakPolarHBondContact O-CB 3.48Å; R87-L91 PolarHBondContact O-N 3.14Å; R87-L171 HydrophobicContact CB-CD1 3.88Å; R87-D173 IonicContact CZ-OD2 2.77Å; R87-D173 IonicContact NH1-OD2 3.15Å; R87-D173 PolarHBondContact NH1-OD2 2.92Å; R87-D173 IonicContact NH2-OD2 3.85Å; R87-D173 PolarHBondContact NH2-OD2 3.25Å; R87-M214 VanDerWaalsContact CD-SD 3.59Å; R87-M214 HydrophobicContact CG-CE 3.88Å; R87-M214 HydrophobicContact CG-SD 4.23Å; R87-M214 PolarHBondContact NH2-O 3.16Å; R87-D281 IonicContact CZ-OD2 3.51Å; R87-D281 VanDerWaalsContact CZ-OD2 3.29Å; R87-D281 IonicContact NE-OD2 2.74Å; R87-D281 PolarHBondContact NE-OD2 2.85Å; R87-D281 IonicContact NH2-OD1 3.71Å; R87-D281 IonicContact NH2-OD2 3.09Å; R87-D281 PolarHBondContact NH2-OD2 3.14Å; R87-L285 HydrophobicContact CB-CD1 4.19Å; R87-L285 HydrophobicContact CB-CD2 4.4Å; R87-L285 HydrophobicContact CG-CD1 4.46Å; R87-L285 WeakPolarHBondContact O-CD1 3.43Å
88	I	98.8	Very high	98	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-51.3	174.7	-65.1	167.4	0	0	0	109.7	P84 R85 R90 L91 L92 F98 I121 V134 A136 L171	P84-I88 WeakPolarHBondContact O-CG1 3.37Å; P84-I88 PolarHBondContact O-N 3.42Å; P84-I88 VanDerWaalsContact O-N 3.12Å; R85-I88 PolarHBondContact O-N 2.69Å; I88-R90 PolarHBondContact O-N 2.8Å; I88-L91 WeakPolarHBondContact O-CA 3.16Å; I88-L91 WeakPolarHBondContact O-CB 3.42Å; I88-L91 PolarHBondContact O-N 2.9Å; I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.09Å; I88-L92 WeakPolarHBondContact O-CG 3.49Å; I88-L92 PolarHBondContact O-N 3.32Å; I88-F98 HydrophobicContact CD1-CE1 4.39Å; I88-F98 HydrophobicContact CD1-CZ 4.11Å; I88-F98 HydrophobicContact CG2-CD1 4.38Å; I88-F98 HydrophobicContact CG2-CD2 4.06Å; I88-F98 HydrophobicContact CG2-CE1 4.2Å; I88-F98 HydrophobicContact CG2-CE2 3.86Å; I88-F98 HydrophobicContact CG2-CG 4.31Å; I88-F98 HydrophobicContact CG2-CZ 3.92Å; I88-I121 HydrophobicContact CD1-CB 3.8Å; I88-I121 HydrophobicContact CD1-CD1 4.42Å; I88-I121 HydrophobicContact CD1-CG2 3.35Å; I88-V134 HydrophobicContact CG1-CG1 4.06Å; I88-A136 HydrophobicContact CD1-CB 3.94Å; I88-A136 HydrophobicContact CG1-CB 4.17Å; I88-L171 HydrophobicContact CG1-CD1 4.17Å
89	D	98.4	Very high	98.1	Very high	115 Å²	115	50.7 Å²	50.7	62%	0.615	29%	0.288	S	S	*	.	H	α-helix	trans	-57.2	-37.4	-178.5	-68.6	-21.6	0	0	0	112.8	R85 E86	R85-D89 PolarHBondContact O-N 2.8Å; E86-D89 PolarHBondContact O-N 2.81Å
90	R	98.6	Very high	98.2	Very high	126 Å²	126	44.2 Å²	44.2	48%	0.475	26%	0.264	S	S	.	.	H	α-helix	trans	-79.5	-20.1	176.3	-66.9	-174.9	-160.2	-155.2	-0.5	113.9	E86 I88 N282 L285	E86-R90 WeakPolarHBondContact O-CB 2.9Å; E86-R90 WeakPolarHBondContact O-CG 3.44Å; E86-R90 PolarHBondContact O-N 2.75Å; I88-R90 PolarHBondContact O-N 2.8Å; R90-N282 VanDerWaalsContact CD-OD1 3.23Å; R90-N282 WeakPolarHBondContact CD-OD1 3.4Å; R90-N282 PolarHBondContact NH1-ND2 3.45Å; R90-N282 PolarHBondContact NH1-OD1 3.09Å; R90-L285 HydrophobicContact CB-CD1 3.78Å
91	L	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-76.6	-40.7	175.4	-179	61.9	0	0	0	111.4	R87 I88 V127 V134 I169 L171 L285 A288 R289	R87-L91 VanDerWaalsContact O-CB 3.31Å; R87-L91 WeakPolarHBondContact O-CB 3.48Å; R87-L91 PolarHBondContact O-N 3.14Å; I88-L91 WeakPolarHBondContact O-CA 3.16Å; I88-L91 WeakPolarHBondContact O-CB 3.42Å; I88-L91 PolarHBondContact O-N 2.9Å; L91-V127 HydrophobicContact CD1-CG1 4.1Å; L91-V127 HydrophobicContact CD2-CG2 4.37Å; L91-V127 HydrophobicContact CG-CG1 4.39Å; L91-V127 HydrophobicContact CG-CG2 3.95Å; L91-V134 HydrophobicContact CD2-CG1 4.07Å; L91-V134 HydrophobicContact CD2-CG2 4Å; L91-I169 HydrophobicContact CD2-CB 4.5Å; L91-I169 HydrophobicContact CD2-CD1 4.07Å; L91-I169 HydrophobicContact CD2-CG2 3.96Å; L91-L171 HydrophobicContact CD2-CD1 4.43Å; L91-L171 HydrophobicContact CD2-CD2 4.44Å; L91-L285 HydrophobicContact CB-CD2 4.16Å; L91-L285 HydrophobicContact CD1-CD2 4.28Å; L91-A288 HydrophobicContact CD1-CB 3.92Å; L91-R289 HydrophobicContact CD1-CG 4.03Å; L91-R289 WeakPolarHBondContact O-CD 3.46Å; L91-R289 PolarHBondContact O-NH1 3.02Å
92	L	98.8	Very high	98.3	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.079	23%	0.229	C	C	.	.	S	Bend	trans	-70.6	157.2	-173.3	-63.1	-179.3	0	0	0	112.8	I88 F98 R126 V127 R289	I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.09Å; I88-L92 WeakPolarHBondContact O-CG 3.49Å; I88-L92 PolarHBondContact O-N 3.32Å; L92-F98 HydrophobicContact CD1-CB 3.71Å; L92-F98 HydrophobicContact CD1-CD2 3.74Å; L92-F98 HydrophobicContact CD1-CG 3.96Å; L92-F98 HydrophobicContact CD2-CD2 4.47Å; L92-R126 CarbonylContact C-O 3.52Å; L92-R126 WeakPolarHBondContact CA-O 3.35Å; L92-V127 HydrophobicContact CD2-CG2 4Å; L92-R289 PolarHBondContact O-NH1 2.89Å
93	D	98.8	Very high	98.3	Very high	22 Å²	22	41 Å²	41	12%	0.118	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-68.9	136.2	172.7	-72.1	-17.9	0	0	0	110.6	G95 T96 R126 S128 G129 R289	D93-G95 PolarHBondContact O-N 2.76Å; D93-T96 HydrophobicContact CB-CG2 3.63Å; D93-T96 WeakPolarHBondContact O-CB 3.4Å; D93-T96 PolarHBondContact O-N 3.15Å; D93-T96 VanDerWaalsContact O-N 3.13Å; D93-T96 PolarHBondContact O-OG1 3.43Å; D93-R126 HydrophobicContact CB-CB 4.44Å; D93-R126 PolarHBondContact N-O 3.22Å; D93-R126 WeakPolarHBondContact OD2-CG 3.28Å; D93-S128 PolarHBondContact OD1-N 2.91Å; D93-S128 PolarHBondContact OD2-N 3.19Å; D93-G129 PolarHBondContact OD2-N 2.87Å; D93-R289 IonicContact OD1-CZ 2.8Å; D93-R289 VanDerWaalsContact OD1-CZ 3.24Å; D93-R289 IonicContact OD1-NH1 3.56Å; D93-R289 PolarHBondContact OD1-NH1 3.26Å; D93-R289 IonicContact OD1-NH2 2.8Å; D93-R289 PolarHBondContact OD1-NH2 3.33Å
94	P	97.9	Very high	98.3	Very high	124 Å²	124	40.4 Å²	40.4	81%	0.805	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	132.1	-178.8	-27.7	34.9	0	0	0	113.3	T96	P94-T96 PolarHBondContact O-N 3.43Å
95	G	95.9	Very high	98.3	Very high	90 Å²	90	40.3 Å²	40.3	93%	0.928	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	6	178.1	0	0	0	0	0	115	D93	D93-G95 PolarHBondContact O-N 2.76Å
96	T	97.8	Very high	98.3	Very high	33 Å²	33	37.9 Å²	37.9	20%	0.202	22%	0.219	C	C	.	.			trans	-90.1	149	176.2	68.1	0	0	0	0	111.4	D93 P94 R126	D93-T96 HydrophobicContact CB-CG2 3.63Å; D93-T96 WeakPolarHBondContact O-CB 3.4Å; D93-T96 PolarHBondContact O-N 3.15Å; D93-T96 VanDerWaalsContact O-N 3.13Å; D93-T96 PolarHBondContact O-OG1 3.43Å; P94-T96 PolarHBondContact O-N 3.43Å; T96-R126 HydrophobicContact CG2-CB 4.05Å
97	P	97.3	Very high	98.3	Very high	68 Å²	68	36.9 Å²	36.9	44%	0.442	21%	0.213	S	C	.	.			trans	-74.5	157.7	180	29.7	-33.9	0	0	0	111.9	L544	P97-L544 HydrophobicContact CB-CD1 3.98Å; P97-L544 HydrophobicContact CB-CD2 4.25Å; P97-L544 HydrophobicContact CG-CD1 4.18Å; P97-L544 HydrophobicContact CG-CD2 3.52Å
98	F	98.6	Very high	98.2	Very high	53 Å²	53	43.7 Å²	43.7	23%	0.232	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.2	167.5	-174.8	-118.2	0	0	0	109.4	I88 L92 E100 I121 G123 I124 V134	I88-F98 HydrophobicContact CD1-CE1 4.39Å; I88-F98 HydrophobicContact CD1-CZ 4.11Å; I88-F98 HydrophobicContact CG2-CD1 4.38Å; I88-F98 HydrophobicContact CG2-CD2 4.06Å; I88-F98 HydrophobicContact CG2-CE1 4.2Å; I88-F98 HydrophobicContact CG2-CE2 3.86Å; I88-F98 HydrophobicContact CG2-CG 4.31Å; I88-F98 HydrophobicContact CG2-CZ 3.92Å; L92-F98 HydrophobicContact CD1-CB 3.71Å; L92-F98 HydrophobicContact CD1-CD2 3.74Å; L92-F98 HydrophobicContact CD1-CG 3.96Å; L92-F98 HydrophobicContact CD2-CD2 4.47Å; F98-E100 HydrophobicContact CD1-CB 3.94Å; F98-E100 HydrophobicContact CE1-CB 3.75Å; F98-E100 HydrophobicContact CE1-CG 4.01Å; F98-E100 PolarHBondContact O-N 2.68Å; F98-I121 HydrophobicContact CE1-CG2 3.96Å; F98-I121 HydrophobicContact CZ-CG2 4.2Å; F98-G123 VanDerWaalsContact CZ-CA 3.41Å; F98-I124 WeakPolarHBondContact CA-O 3.15Å; F98-V134 HydrophobicContact CE2-CB 4.35Å
99	L	98.7	Very high	98.1	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	85.3	174.3	-179.3	64	0	0	0	108.5	G123 I124 V541 L544	L99-G123 CarbonylContact O-C 3.53Å; L99-G123 WeakPolarHBondContact O-CA 3.32Å; L99-I124 HydrophobicContact CB-CB 4.41Å; L99-I124 PolarHBondContact N-O 3.44Å; L99-I124 PolarHBondContact O-N 3.48Å; L99-V541 HydrophobicContact CD1-CG1 4.22Å; L99-V541 HydrophobicContact CD1-CG2 4.48Å; L99-L544 HydrophobicContact CB-CD1 4.29Å; L99-L544 HydrophobicContact CD1-CD1 4.5Å; L99-L544 HydrophobicContact CD2-CB 4.03Å
100	E	98.7	Very high	98.1	Very high	28 Å²	28	41.8 Å²	41.8	13%	0.131	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.4	173.6	-167.5	176.7	176.5	0	0	110.4	R85 F98 Q103 I121 T122	R85-E100 IonicContact CZ-OE1 2.85Å; R85-E100 IonicContact CZ-OE2 2.92Å; R85-E100 VanDerWaalsContact NH1-CD 3.34Å; R85-E100 IonicContact NH1-OE1 2.72Å; R85-E100 PolarHBondContact NH1-OE1 2.76Å; R85-E100 IonicContact NH1-OE2 3.28Å; R85-E100 PolarHBondContact NH1-OE2 3.01Å; R85-E100 IonicContact NH2-OE1 3.16Å; R85-E100 PolarHBondContact NH2-OE1 3Å; R85-E100 IonicContact NH2-OE2 3.74Å; R85-E100 PolarHBondContact NH2-OE2 2.81Å; F98-E100 HydrophobicContact CD1-CB 3.94Å; F98-E100 HydrophobicContact CE1-CB 3.75Å; F98-E100 HydrophobicContact CE1-CG 4.01Å; F98-E100 PolarHBondContact O-N 2.68Å; E100-Q103 HydrophobicContact CB-CG 4.32Å; E100-Q103 HydrophobicContact CG-CG 3.69Å; E100-Q103 WeakPolarHBondContact OE1-CG 3.42Å; E100-Q103 PolarHBondContact OE2-NE2 2.78Å; E100-I121 HydrophobicContact CG-CG2 4.25Å; E100-T122 WeakPolarHBondContact CA-O 3.31Å; E100-T122 WeakPolarHBondContact CG-O 3.2Å
101	F	98.4	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.3	176.4	55.3	-99.6	0	0	0	112.6	Q103 T122 I124 V133 A157 I160 D530	F101-Q103 VanDerWaalsContact C-N 3.35Å; F101-Q103 PolarHBondContact O-N 3.32Å; F101-T122 VanDerWaalsContact CD2-OG1 3.28Å; F101-T122 WeakPolarHBondContact CD2-OG1 3.37Å; F101-T122 HydrophobicContact CE2-CG2 4.29Å; F101-T122 WeakPolarHBondContact CE2-OG1 3.47Å; F101-T122 PolarHBondContact N-O 3.42Å; F101-T122 PolarHBondContact O-OG1 3.31Å; F101-T122 VanDerWaalsContact O-OG1 3.05Å; F101-I124 HydrophobicContact CE1-CG1 4.21Å; F101-V133 HydrophobicContact CZ-CG1 4.48Å; F101-A157 HydrophobicContact CE2-CB 3.83Å; F101-A157 HydrophobicContact CZ-CB 3.75Å; F101-I160 HydrophobicContact CD1-CD1 4.19Å; F101-I160 HydrophobicContact CD2-CD1 3.96Å; F101-I160 HydrophobicContact CE1-CD1 4.07Å; F101-I160 HydrophobicContact CE2-CD1 3.82Å; F101-I160 HydrophobicContact CG-CD1 4.15Å; F101-I160 HydrophobicContact CZ-CD1 3.89Å; F101-D530 CarbonylContact C-O 3.56Å; F101-D530 WeakPolarHBondContact CA-O 3.31Å; F101-D530 HydrophobicContact CB-CB 4.21Å; F101-D530 WeakPolarHBondContact CB-O 3.15Å
102	S	98.5	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.289	C	S	.	.			trans	55.8	43.5	-178.5	-52	0	0	0	0	113.1	F104 A105 K153 D530	S102-F104 PolarHBondContact O-N 3.33Å; S102-A105 VanDerWaalsContact O-CB 3.31Å; S102-A105 WeakPolarHBondContact O-CB 3.45Å; S102-A105 PolarHBondContact O-N 3.44Å; S102-K153 WeakPolarHBondContact O-CE 3.32Å; S102-K153 PolarHBondContact O-NZ 2.79Å; S102-D530 PolarHBondContact N-O 3.27Å
103	Q	98.1	Very high	97.3	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.164	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37	177.7	-76.7	178	-38.4	0	0	112.5	I64 E100 F101 A105 A117	I64-Q103 WeakPolarHBondContact CG2-O 3.34Å; E100-Q103 HydrophobicContact CB-CG 4.32Å; E100-Q103 HydrophobicContact CG-CG 3.69Å; E100-Q103 WeakPolarHBondContact OE1-CG 3.42Å; E100-Q103 PolarHBondContact OE2-NE2 2.78Å; F101-Q103 VanDerWaalsContact C-N 3.35Å; F101-Q103 PolarHBondContact O-N 3.32Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.48Å; Q103-A117 VanDerWaalsContact O-CA 3.23Å; Q103-A117 WeakPolarHBondContact O-CA 3.44Å; Q103-A117 WeakPolarHBondContact O-CB 3.46Å
104	F	98.7	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.8	-177.5	-76.1	-86.9	0	0	0	114.6	L57 R60 I64 S102 G106 Y107 Y521 A525 I532	L57-F104 HydrophobicContact CD1-CE2 3.49Å; L57-F104 VanDerWaalsContact CD1-CE2 3.49Å; L57-F104 HydrophobicContact CD1-CZ 3.72Å; R60-F104 HydrophobicContact CB-CE1 3.69Å; R60-F104 HydrophobicContact CB-CZ 3.89Å; I64-F104 HydrophobicContact CD1-CD1 3.42Å; I64-F104 VanDerWaalsContact CD1-CD1 3.42Å; I64-F104 HydrophobicContact CD1-CD2 4.47Å; I64-F104 HydrophobicContact CD1-CE1 3.44Å; I64-F104 VanDerWaalsContact CD1-CE1 3.44Å; I64-F104 HydrophobicContact CD1-CE2 4.47Å; I64-F104 HydrophobicContact CD1-CG 3.96Å; I64-F104 HydrophobicContact CD1-CZ 3.99Å; S102-F104 PolarHBondContact O-N 3.33Å; F104-G106 PolarHBondContact O-N 2.79Å; F104-Y107 HydrophobicContact CD1-CD2 4.08Å; F104-Y107 HydrophobicContact CD1-CG 4.04Å; F104-Y107 HydrophobicContact CE1-CD2 4.45Å; F104-Y107 WeakPolarHBondContact O-CB 3.29Å; F104-Y107 PolarHBondContact O-N 2.94Å; F104-Y521 AromaticContact CD1-CD1 3.73Å; F104-Y521 HydrophobicContact CD1-CD1 3.73Å; F104-Y521 HydrophobicContact CD1-CE1 4.15Å; F104-Y521 AromaticContact CE1-CD1 3.6Å; F104-Y521 HydrophobicContact CE1-CD1 3.6Å; F104-Y521 AromaticContact CE1-CE1 3.55Å; F104-Y521 HydrophobicContact CE1-CE1 3.55Å; F104-Y521 HydrophobicContact CE2-CE1 4.4Å; F104-Y521 HydrophobicContact CG-CD1 4.36Å; F104-Y521 HydrophobicContact CZ-CD1 4.16Å; F104-Y521 AromaticContact CZ-CE1 3.72Å; F104-Y521 HydrophobicContact CZ-CE1 3.72Å; F104-A525 WeakPolarHBondContact O-CA 3.47Å; F104-I532 HydrophobicContact CD2-CD1 4.09Å; F104-I532 HydrophobicContact CD2-CG1 4.38Å; F104-I532 HydrophobicContact CE2-CD1 4.32Å; F104-I532 HydrophobicContact CG-CD1 4.41Å
105	A	98.8	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	129.1	177.6	0	0	0	0	0	111.5	S102 Q103 Y107 A117 G118 I149 K153 L527	S102-A105 VanDerWaalsContact O-CB 3.31Å; S102-A105 WeakPolarHBondContact O-CB 3.45Å; S102-A105 PolarHBondContact O-N 3.44Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.48Å; A105-Y107 PolarHBondContact O-N 2.79Å; A105-A117 CarbonylContact O-C 3.47Å; A105-A117 WeakPolarHBondContact O-CA 3.35Å; A105-A117 PolarHBondContact O-N 3.45Å; A105-G118 PolarHBondContact O-N 2.99Å; A105-I149 HydrophobicContact CB-CG1 4.17Å; A105-K153 HydrophobicContact CB-CD 3.71Å; A105-L527 HydrophobicContact CB-CD1 3.56Å
106	G	98.2	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-2.7	179.8	0	0	0	0	0	115.8	F104 E108 L109 A525	F104-G106 PolarHBondContact O-N 2.79Å; G106-E108 PolarHBondContact O-N 2.64Å; G106-L109 WeakPolarHBondContact O-CB 3.21Å; G106-L109 PolarHBondContact O-N 3.44Å; G106-L109 VanDerWaalsContact O-N 3.09Å; G106-A525 PolarHBondContact N-O 3.34Å
107	Y	98.3	Very high	97.2	Very high	47 Å²	47	44.4 Å²	44.4	18%	0.184	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	119.4	177.9	-177.5	-93.1	0	0	0	110.9	I64 F104 A105 L109 A525	I64-Y107 HydrophobicContact CD1-CD2 4.34Å; F104-Y107 HydrophobicContact CD1-CD2 4.08Å; F104-Y107 HydrophobicContact CD1-CG 4.04Å; F104-Y107 HydrophobicContact CE1-CD2 4.45Å; F104-Y107 WeakPolarHBondContact O-CB 3.29Å; F104-Y107 PolarHBondContact O-N 2.94Å; A105-Y107 PolarHBondContact O-N 2.79Å; Y107-L109 PolarHBondContact O-N 3.47Å; Y107-A525 WeakPolarHBondContact O-CB 3.11Å
108	E	96.7	Very high	97.2	Very high	145 Å²	145	41.1 Å²	41.1	68%	0.678	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	19.6	-177.8	-64.4	175.4	-171.2	0	0	114.8	G106	G106-E108 PolarHBondContact O-N 2.64Å
109	L	97.1	Very high	97.2	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.246	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-28.7	-172.4	-173.5	60.6	0	0	0	113.5	G106 Y107 I149 R526	G106-L109 WeakPolarHBondContact O-CB 3.21Å; G106-L109 PolarHBondContact O-N 3.44Å; G106-L109 VanDerWaalsContact O-N 3.09Å; Y107-L109 PolarHBondContact O-N 3.47Å; L109-I149 HydrophobicContact CD2-CB 4.01Å; L109-I149 HydrophobicContact CD2-CD1 4.03Å; L109-I149 HydrophobicContact CD2-CG1 4.06Å; L109-R526 HydrophobicContact CD1-CG 4.17Å
110	Y	96.8	Very high	97.2	Very high	31 Å²	31	38.1 Å²	38.1	12%	0.122	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-112.7	32.8	-170.4	-60.1	-66.6	0	0	0	113.6	K112 E113 V115 Y147 P148 I149	Y110-K112 PolarHBondContact O-N 2.84Å; Y110-K112 VanDerWaalsContact O-N 3.14Å; Y110-E113 PolarHBondContact O-N 3.45Å; Y110-E113 VanDerWaalsContact O-N 3.15Å; Y110-V115 HydrophobicContact CD2-CB 4.22Å; Y110-V115 HydrophobicContact CD2-CG2 3.74Å; Y110-V115 HydrophobicContact CE2-CG2 4.33Å; Y110-Y147 HydrophobicContact CD1-CD1 4.2Å; Y110-Y147 AromaticContact CD2-CD1 3.8Å; Y110-Y147 HydrophobicContact CD2-CD1 3.8Å; Y110-Y147 HydrophobicContact CD2-CE1 4.28Å; Y110-Y147 HydrophobicContact CE1-CD1 4.13Å; Y110-Y147 AromaticContact CE2-CD1 3.69Å; Y110-Y147 HydrophobicContact CE2-CD1 3.69Å; Y110-Y147 HydrophobicContact CE2-CG 4.21Å; Y110-Y147 HydrophobicContact CG-CD1 4.04Å; Y110-Y147 HydrophobicContact CG-CE1 4.31Å; Y110-Y147 AromaticContact CZ-CD1 3.87Å; Y110-P148 WeakPolarHBondContact OH-CD 3.42Å; Y110-I149 HydrophobicContact CE2-CB 4.3Å; Y110-I149 HydrophobicContact CE2-CG2 3.67Å; Y110-I149 VanDerWaalsContact OH-CB 3.29Å; Y110-I149 WeakPolarHBondContact OH-CB 3.26Å; Y110-I149 WeakPolarHBondContact OH-CG2 3.47Å; Y110-I149 PolarHBondContact OH-N 3.48Å
111	G	92.6	Very high	97.2	Very high	70 Å²	70	36.9 Å²	36.9	72%	0.722	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-112.1	178	0	0	0	0	0	111.6	E113	G111-E113 VanDerWaalsContact C-N 3.34Å
112	K	92.1	Very high	97.2	Very high	215 Å²	215	36.9 Å²	36.9	94%	0.935	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.3	-179.6	-62.3	-176.5	-178.8	179.5	0	113.5	Y110	Y110-K112 PolarHBondContact O-N 2.84Å; Y110-K112 VanDerWaalsContact O-N 3.14Å
113	E	94.9	Very high	97.2	Very high	60 Å²	60	36.9 Å²	36.9	28%	0.28	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-86	116.7	179.4	-64.5	-177.8	-112.6	0	0	110.2	Y110 G111 Y147 R181	Y110-E113 PolarHBondContact O-N 3.45Å; Y110-E113 VanDerWaalsContact O-N 3.15Å; G111-E113 VanDerWaalsContact C-N 3.34Å; E113-Y147 PolarHBondContact OE2-OH 2.79Å; E113-R181 IonicContact OE1-CZ 3.9Å; E113-R181 VanDerWaalsContact OE1-CZ 3.28Å; E113-R181 IonicContact OE1-NH1 2.69Å; E113-R181 PolarHBondContact OE1-NH1 3.46Å; E113-R181 IonicContact OE1-NH2 3.42Å; E113-R181 PolarHBondContact OE1-NH2 3Å; E113-R181 IonicContact OE2-NH1 2.68Å
114	D	95.2	Very high	97.3	Very high	104 Å²	104	35.7 Å²	35.7	56%	0.556	19%	0.187	S	C	*	.			trans	-83.5	130.3	170.2	-163.9	6.5	0	0	0	110.5	P116 K142	D114-P116 WeakPolarHBondContact OD1-CD 3.46Å; D114-P116 WeakPolarHBondContact OD1-CG 3.47Å; D114-K142 VanDerWaalsContact O-CE 3.31Å; D114-K142 WeakPolarHBondContact O-CE 3.46Å
115	V	97.6	Very high	97.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.189	C	C	.	.			trans	-134.9	68.6	179.2	-168.4	0	0	0	0	108.8	Y110 A117 G118 V141 Y147	Y110-V115 HydrophobicContact CD2-CB 4.22Å; Y110-V115 HydrophobicContact CD2-CG2 3.74Å; Y110-V115 HydrophobicContact CE2-CG2 4.33Å; V115-A117 PolarHBondContact O-N 3.46Å; V115-G118 PolarHBondContact O-N 3.13Å; V115-V141 HydrophobicContact CB-CG1 4.44Å; V115-V141 HydrophobicContact CG1-CG1 3.88Å; V115-Y147 HydrophobicContact CG1-CD2 4.12Å; V115-Y147 HydrophobicContact CG1-CE2 4.49Å; V115-Y147 HydrophobicContact CG1-CG 4.27Å; V115-Y147 HydrophobicContact CG2-CD1 3.94Å; V115-Y147 HydrophobicContact CG2-CD2 4.32Å; V115-Y147 HydrophobicContact CG2-CE1 3.71Å; V115-Y147 HydrophobicContact CG2-CE2 4.14Å; V115-Y147 HydrophobicContact CG2-CG 4.25Å
116	P	97.7	Very high	97.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.058	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.7	135.4	-174.9	-29.9	40.1	0	0	0	112.3	I64 G67 D114 G118 G119	I64-P116 HydrophobicContact CG2-CB 4.3Å; G67-P116 WeakPolarHBondContact O-CG 3.48Å; D114-P116 WeakPolarHBondContact OD1-CD 3.46Å; D114-P116 WeakPolarHBondContact OD1-CG 3.47Å; P116-G118 PolarHBondContact O-N 3.05Å; P116-G119 PolarHBondContact O-N 3.2Å
117	A	98.4	Very high	97.3	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.041	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	52.6	20.8	-176.4	0	0	0	0	0	114.7	I64 Q103 A105 V115 G119 M120 K153	I64-A117 HydrophobicContact CG2-CB 3.88Å; Q103-A117 VanDerWaalsContact O-CA 3.23Å; Q103-A117 WeakPolarHBondContact O-CA 3.44Å; Q103-A117 WeakPolarHBondContact O-CB 3.46Å; A105-A117 CarbonylContact O-C 3.47Å; A105-A117 WeakPolarHBondContact O-CA 3.35Å; A105-A117 PolarHBondContact O-N 3.45Å; V115-A117 PolarHBondContact O-N 3.46Å; A117-G119 PolarHBondContact O-N 3.3Å; A117-M120 PolarHBondContact O-N 2.99Å; A117-K153 WeakPolarHBondContact O-CD 3.42Å; A117-K153 PolarHBondContact O-NZ 3.09Å
118	G	98.2	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	68.7	20	-175.3	0	0	0	0	0	113	A105 V115 P116 M120 T150	A105-G118 PolarHBondContact O-N 2.99Å; V115-G118 PolarHBondContact O-N 3.13Å; P116-G118 PolarHBondContact O-N 3.05Å; G118-M120 VanDerWaalsContact C-N 3.27Å; G118-M120 PolarHBondContact O-N 2.54Å; G118-T150 VanDerWaalsContact O-CB 3.26Å; G118-T150 WeakPolarHBondContact O-CB 3.39Å; G118-T150 WeakPolarHBondContact O-CG2 3.42Å; G118-T150 PolarHBondContact O-OG1 2.79Å
119	G	98.3	Very high	97.4	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	72.3	16.7	-177.8	0	0	0	0	0	114.4	P116 A117 D138	P116-G119 PolarHBondContact O-N 3.2Å; A117-G119 PolarHBondContact O-N 3.3Å; G119-D138 PolarHBondContact O-N 3.06Å
120	M	98.1	Very high	97.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.3	172.9	70.4	178	3.5	0	0	112.4	A117 G118 T122 V135 A136 Y146 T150 K153 H154	A117-M120 PolarHBondContact O-N 2.99Å; G118-M120 VanDerWaalsContact C-N 3.27Å; G118-M120 PolarHBondContact O-N 2.54Å; M120-T122 HydrophobicContact CG-CG2 4.13Å; M120-T122 HydrophobicContact SD-CG2 3.86Å; M120-V135 HydrophobicContact CE-CG1 3.39Å; M120-V135 HydrophobicContact SD-CG1 4.3Å; M120-A136 CarbonylContact C-O 3.59Å; M120-A136 VanDerWaalsContact CA-O 3.25Å; M120-A136 WeakPolarHBondContact CA-O 3.5Å; M120-A136 WeakPolarHBondContact CB-O 3.49Å; M120-Y146 HydrophobicContact CE-CE1 4.31Å; M120-T150 HydrophobicContact CE-CG2 4.27Å; M120-T150 HydrophobicContact CG-CG2 4.39Å; M120-T150 HydrophobicContact SD-CG2 4.25Å; M120-K153 HydrophobicContact CG-CB 4.45Å; M120-K153 HydrophobicContact CG-CD 3.7Å; M120-K153 HydrophobicContact CG-CG 4.03Å; M120-K153 WeakPolarHBondContact O-CE 3.45Å; M120-K153 PolarHBondContact O-NZ 3.05Å; M120-K153 HydrophobicContact SD-CB 3.94Å; M120-K153 HydrophobicContact SD-CD 4.2Å; M120-K153 HydrophobicContact SD-CG 3.83Å; M120-H154 HydrophobicContact CE-CB 3.84Å; M120-H154 HydrophobicContact SD-CB 3.94Å
121	I	98.9	Very high	97.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.3	170.1	-60.8	133.5	0	0	0	107.9	P84 R85 I88 F98 E100 A136	P84-I121 HydrophobicContact CB-CD1 3.58Å; R85-I121 HydrophobicContact CG-CD1 3.5Å; R85-I121 VanDerWaalsContact CG-CD1 3.5Å; R85-I121 HydrophobicContact CG-CG1 4.29Å; I88-I121 HydrophobicContact CD1-CB 3.8Å; I88-I121 HydrophobicContact CD1-CD1 4.42Å; I88-I121 HydrophobicContact CD1-CG2 3.35Å; F98-I121 HydrophobicContact CE1-CG2 3.96Å; F98-I121 HydrophobicContact CZ-CG2 4.2Å; E100-I121 HydrophobicContact CG-CG2 4.25Å; I121-A136 PolarHBondContact N-O 2.92Å; I121-A136 PolarHBondContact O-N 2.72Å
122	T	98.9	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.5	178.6	52.6	0	0	0	0	109.2	E100 F101 M120 V134 V135 K153 A157	E100-T122 WeakPolarHBondContact CA-O 3.31Å; E100-T122 WeakPolarHBondContact CG-O 3.2Å; F101-T122 VanDerWaalsContact CD2-OG1 3.28Å; F101-T122 WeakPolarHBondContact CD2-OG1 3.37Å; F101-T122 HydrophobicContact CE2-CG2 4.29Å; F101-T122 WeakPolarHBondContact CE2-OG1 3.47Å; F101-T122 PolarHBondContact N-O 3.42Å; F101-T122 PolarHBondContact O-OG1 3.31Å; F101-T122 VanDerWaalsContact O-OG1 3.05Å; M120-T122 HydrophobicContact CG-CG2 4.13Å; M120-T122 HydrophobicContact SD-CG2 3.86Å; T122-V134 VanDerWaalsContact CA-O 3.31Å; T122-V134 WeakPolarHBondContact CA-O 3.28Å; T122-V135 HydrophobicContact CG2-CG1 4.17Å; T122-V135 HydrophobicContact CG2-CG2 4.25Å; T122-K153 HydrophobicContact CG2-CG 4.12Å; T122-K153 WeakPolarHBondContact OG1-CE 3.47Å; T122-A157 HydrophobicContact CG2-CB 3.92Å
123	G	98.8	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	175	178.8	0	0	0	0	0	113	F98 L99 V133 V134	F98-G123 VanDerWaalsContact CZ-CA 3.41Å; L99-G123 CarbonylContact O-C 3.53Å; L99-G123 WeakPolarHBondContact O-CA 3.32Å; G123-V133 WeakPolarHBondContact O-CA 3.31Å; G123-V134 PolarHBondContact N-O 3.23Å; G123-V134 VanDerWaalsContact N-O 3.1Å; G123-V134 PolarHBondContact O-N 3.14Å
124	I	98.9	Very high	98.4	Very high	10 Å²	10	18 Å²	18	5%	0.051	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.6	174.1	-55	173.4	0	0	0	108.2	F98 L99 F101 E131 C132 V133 I160 L166 F462 A548	F98-I124 WeakPolarHBondContact CA-O 3.15Å; L99-I124 HydrophobicContact CB-CB 4.41Å; L99-I124 PolarHBondContact N-O 3.44Å; L99-I124 PolarHBondContact O-N 3.48Å; F101-I124 HydrophobicContact CE1-CG1 4.21Å; I124-E131 HydrophobicContact CG2-CB 4.32Å; I124-C132 WeakPolarHBondContact CA-O 3.31Å; I124-V133 HydrophobicContact CG1-CG2 4.13Å; I124-I160 HydrophobicContact CD1-CG2 3.94Å; I124-L166 HydrophobicContact CD1-CD1 3.64Å; I124-L166 HydrophobicContact CG1-CD1 4.12Å; I124-L166 HydrophobicContact CG2-CD1 4.32Å; I124-F462 HydrophobicContact CD1-CE1 3.82Å; I124-F462 HydrophobicContact CD1-CZ 3.6Å; I124-A548 HydrophobicContact CD1-CB 3.83Å
125	G	98.7	Very high	98.5	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	166.2	174.4	0	0	0	0	0	111.4	C132	G125-C132 PolarHBondContact N-O 3.46Å; G125-C132 VanDerWaalsContact N-O 3.11Å; G125-C132 PolarHBondContact O-N 2.85Å
126	R	98.8	Very high	98.6	Very high	113 Å²	113	13.1 Å²	13.1	43%	0.426	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.5	179.3	-161.5	179.8	-72.3	176.6	-4.6	110.3	L92 D93 T96 V130	L92-R126 CarbonylContact C-O 3.52Å; L92-R126 WeakPolarHBondContact CA-O 3.35Å; D93-R126 HydrophobicContact CB-CB 4.44Å; D93-R126 PolarHBondContact N-O 3.22Å; D93-R126 WeakPolarHBondContact OD2-CG 3.28Å; T96-R126 HydrophobicContact CG2-CB 4.05Å; R126-V130 CarbonylContact C-O 3.26Å; R126-V130 WeakPolarHBondContact CA-O 3.48Å
127	V	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.1	176.1	-175.7	0	0	0	0	107.8	L91 L92 G129 V130 C132 I169 R289 V292	L91-V127 HydrophobicContact CD1-CG1 4.1Å; L91-V127 HydrophobicContact CD2-CG2 4.37Å; L91-V127 HydrophobicContact CG-CG1 4.39Å; L91-V127 HydrophobicContact CG-CG2 3.95Å; L92-V127 HydrophobicContact CD2-CG2 4Å; V127-G129 PolarHBondContact O-N 3.17Å; V127-V130 PolarHBondContact N-O 3.28Å; V127-V130 PolarHBondContact O-N 3.49Å; V127-C132 HydrophobicContact CG2-CB 4.43Å; V127-I169 HydrophobicContact CB-CD1 4.25Å; V127-I169 HydrophobicContact CG1-CD1 4.22Å; V127-I169 HydrophobicContact CG2-CD1 3.9Å; V127-R289 HydrophobicContact CG1-CB 4.4Å; V127-R289 HydrophobicContact CG1-CG 3.86Å; V127-V292 HydrophobicContact CB-CG1 4.31Å; V127-V292 HydrophobicContact CB-CG2 4.38Å; V127-V292 HydrophobicContact CG1-CB 4.1Å; V127-V292 HydrophobicContact CG1-CG1 4.32Å; V127-V292 HydrophobicContact CG1-CG2 3.9Å; V127-V292 WeakPolarHBondContact O-CG1 3.33Å
128	S	98.4	Very high	98.7	Very high	36 Å²	36	13.4 Å²	13.4	25%	0.252	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.9	-178.7	-64.1	0	0	0	0	113.1	D93 V130 R289	D93-S128 PolarHBondContact OD1-N 2.91Å; D93-S128 PolarHBondContact OD2-N 3.19Å; S128-V130 VanDerWaalsContact C-N 3.34Å; S128-R289 PolarHBondContact OG-O 3.35Å
129	G	97.9	Very high	98.6	Very high	52 Å²	52	14.3 Å²	14.3	54%	0.536	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-9.6	-178.4	0	0	0	0	0	115.6	D93 V127	D93-G129 PolarHBondContact OD2-N 2.87Å; V127-G129 PolarHBondContact O-N 3.17Å
130	V	98.7	Very high	98.7	Very high	13 Å²	13	14.8 Å²	14.8	8%	0.079	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133	-172.2	-177.3	0	0	0	0	111.1	R126 V127 S128 C132 P167 V292 Y297	R126-V130 CarbonylContact C-O 3.26Å; R126-V130 WeakPolarHBondContact CA-O 3.48Å; V127-V130 PolarHBondContact N-O 3.28Å; V127-V130 PolarHBondContact O-N 3.49Å; S128-V130 VanDerWaalsContact C-N 3.34Å; V130-C132 PolarHBondContact O-N 3.15Å; V130-C132 PolarHBondContact O-SG 2.92Å; V130-P167 HydrophobicContact CG1-CG 4.02Å; V130-V292 HydrophobicContact CB-CG1 3.76Å; V130-V292 HydrophobicContact CG1-CG1 4.42Å; V130-V292 HydrophobicContact CG2-CG1 3.92Å; V130-Y297 HydrophobicContact CB-CD1 4.42Å; V130-Y297 HydrophobicContact CG1-CD1 3.62Å; V130-Y297 HydrophobicContact CG1-CD2 4.2Å; V130-Y297 HydrophobicContact CG1-CE1 3.88Å; V130-Y297 HydrophobicContact CG1-CE2 4.43Å; V130-Y297 HydrophobicContact CG1-CG 3.78Å; V130-Y297 HydrophobicContact CG2-CD1 4.07Å; V130-Y297 HydrophobicContact CG2-CG 4.2Å
131	E	98.8	Very high	98.7	Very high	24 Å²	24	14.9 Å²	14.9	11%	0.112	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	115	171.8	-68.8	165.9	129.1	0	0	109.3	I124 L166 K299 S547 N551	I124-E131 HydrophobicContact CG2-CB 4.32Å; E131-L166 HydrophobicContact CB-CD2 4.07Å; E131-K299 IonicContact OE1-NZ 2.76Å; E131-K299 IonicContact OE2-NZ 3.61Å; E131-K299 PolarHBondContact OE2-NZ 3.07Å; E131-S547 WeakPolarHBondContact OE1-CB 3.18Å; E131-S547 PolarHBondContact OE1-OG 2.91Å; E131-N551 PolarHBondContact OE2-ND2 3.49Å
132	C	98.9	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.6	-176.9	-58.1	0	0	0	0	110.4	I124 G125 V127 V130 P167 I169	I124-C132 WeakPolarHBondContact CA-O 3.31Å; G125-C132 PolarHBondContact N-O 3.46Å; G125-C132 VanDerWaalsContact N-O 3.11Å; G125-C132 PolarHBondContact O-N 2.85Å; V127-C132 HydrophobicContact CG2-CB 4.43Å; V130-C132 PolarHBondContact O-N 3.15Å; V130-C132 PolarHBondContact O-SG 2.92Å; C132-P167 CarbonylContact C-O 3.54Å; C132-P167 WeakPolarHBondContact CA-O 3.42Å; C132-I169 HydrophobicContact CB-CD1 3.9Å; C132-I169 HydrophobicContact CB-CG1 4.3Å
133	V	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.4	163.2	171	0	0	0	0	108.1	F101 G123 I124 V135 A157 I160 A161 L166 P167 C168 I169	F101-V133 HydrophobicContact CZ-CG1 4.48Å; G123-V133 WeakPolarHBondContact O-CA 3.31Å; I124-V133 HydrophobicContact CG1-CG2 4.13Å; V133-V135 HydrophobicContact CG1-CG2 4.07Å; V133-A157 HydrophobicContact CG1-CB 4.09Å; V133-I160 HydrophobicContact CG2-CG2 4.27Å; V133-A161 HydrophobicContact CB-CB 4.17Å; V133-A161 HydrophobicContact CG2-CB 3.85Å; V133-L166 HydrophobicContact CG2-CB 3.95Å; V133-L166 HydrophobicContact CG2-CD1 3.74Å; V133-P167 PolarHBondContact N-O 2.63Å; V133-C168 CarbonylContact O-C 3.45Å; V133-C168 WeakPolarHBondContact O-CA 3.43Å; V133-I169 PolarHBondContact O-N 3.43Å
134	V	98.9	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130	174.9	-175.3	0	0	0	0	108.8	I88 L91 F98 T122 G123 I169 L171	I88-V134 HydrophobicContact CG1-CG1 4.06Å; L91-V134 HydrophobicContact CD2-CG1 4.07Å; L91-V134 HydrophobicContact CD2-CG2 4Å; F98-V134 HydrophobicContact CE2-CB 4.35Å; T122-V134 VanDerWaalsContact CA-O 3.31Å; T122-V134 WeakPolarHBondContact CA-O 3.28Å; G123-V134 PolarHBondContact N-O 3.23Å; G123-V134 VanDerWaalsContact N-O 3.1Å; G123-V134 PolarHBondContact O-N 3.14Å; V134-I169 WeakPolarHBondContact CA-O 3.47Å; V134-L171 HydrophobicContact CG1-CD1 4.2Å; V134-L171 HydrophobicContact CG1-CG 4.37Å
135	V	98.9	Very high	98.1	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	108.7	175.9	-178.7	0	0	0	0	107.8	M120 T122 V133 A157 I169 Y170 L171	M120-V135 HydrophobicContact CE-CG1 3.39Å; M120-V135 HydrophobicContact SD-CG1 4.3Å; T122-V135 HydrophobicContact CG2-CG1 4.17Å; T122-V135 HydrophobicContact CG2-CG2 4.25Å; V133-V135 HydrophobicContact CG1-CG2 4.07Å; V135-A157 HydrophobicContact CG2-CB 3.73Å; V135-I169 PolarHBondContact N-O 3.4Å; V135-Y170 HydrophobicContact CB-CD1 3.82Å; V135-Y170 HydrophobicContact CB-CE1 4.24Å; V135-Y170 HydrophobicContact CG1-CD1 4.31Å; V135-Y170 HydrophobicContact CG2-CD1 4.12Å; V135-Y170 HydrophobicContact CG2-CE1 4.03Å; V135-Y170 CarbonylContact O-C 3.46Å; V135-Y170 WeakPolarHBondContact O-CA 3.34Å; V135-L171 PolarHBondContact O-N 2.66Å
136	A	98.8	Very high	98.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.6	-178.2	0	0	0	0	0	111.1	I88 M120 I121 L171	I88-A136 HydrophobicContact CD1-CB 3.94Å; I88-A136 HydrophobicContact CG1-CB 4.17Å; M120-A136 CarbonylContact C-O 3.59Å; M120-A136 VanDerWaalsContact CA-O 3.25Å; M120-A136 WeakPolarHBondContact CA-O 3.5Å; M120-A136 WeakPolarHBondContact CB-O 3.49Å; I121-A136 PolarHBondContact N-O 2.92Å; I121-A136 PolarHBondContact O-N 2.72Å; A136-L171 HydrophobicContact CB-CB 3.86Å; A136-L171 HydrophobicContact CB-CD1 3.93Å; A136-L171 HydrophobicContact CB-CG 4.26Å
137	N	98.7	Very high	98.1	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.027	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.1	172.4	-61.7	116.1	0	0	0	110.5	P84 Y146 L171 D173	P84-N137 WeakPolarHBondContact CG-O 3.37Å; N137-Y146 PolarHBondContact ND2-OH 3.08Å; N137-Y146 VanDerWaalsContact ND2-OH 3.12Å; N137-L171 PolarHBondContact N-O 2.79Å; N137-L171 VanDerWaalsContact N-O 3.09Å; N137-D173 HydrophobicContact CB-CB 4.4Å; N137-D173 VanDerWaalsContact CB-O 3.31Å; N137-D173 WeakPolarHBondContact CB-O 3.22Å; N137-D173 PolarHBondContact OD1-N 3.19Å
138	D	98.6	Very high	98.1	Very high	15 Å²	15	18.6 Å²	18.6	8%	0.08	12%	0.124	C	C	.	.			trans	-99.9	93.3	170.3	-167.3	-16.7	0	0	0	111.1	G67 P84 G119 T140 V141 G144	G67-D138 WeakPolarHBondContact CA-OD2 3.37Å; P84-D138 HydrophobicContact CG-CB 4Å; G119-D138 PolarHBondContact O-N 3.06Å; D138-T140 VanDerWaalsContact CG-OG1 3.28Å; D138-T140 PolarHBondContact O-N 3.36Å; D138-T140 VanDerWaalsContact O-N 3.09Å; D138-T140 WeakPolarHBondContact OD1-CA 3.26Å; D138-T140 VanDerWaalsContact OD1-CB 3.25Å; D138-T140 WeakPolarHBondContact OD1-CB 3.41Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.37Å; D138-T140 PolarHBondContact OD1-N 2.84Å; D138-T140 PolarHBondContact OD1-OG1 3.22Å; D138-T140 PolarHBondContact OD2-OG1 2.97Å; D138-V141 HydrophobicContact CB-CB 4.4Å; D138-V141 HydrophobicContact CB-CG2 4.05Å; D138-V141 PolarHBondContact O-N 3.47Å; D138-G144 WeakPolarHBondContact O-CA 3.47Å; D138-G144 PolarHBondContact O-N 3.48Å
139	A	97.8	Very high	98.1	Very high	18 Å²	18	17.3 Å²	17.3	15%	0.149	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.7	177.6	0	0	0	0	0	113.7	G143 D173	A139-G143 CarbonylContact O-C 3.55Å; A139-G143 WeakPolarHBondContact O-CA 3.14Å; A139-G143 PolarHBondContact O-N 3.17Å; A139-D173 HydrophobicContact CB-CB 4.3Å
140	T	98.4	Very high	98.1	Very high	12 Å²	12	14.8 Å²	14.8	7%	0.074	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-28.6	174.9	76	0	0	0	0	111.5	G68 R73 H76 L83 D138 K142	G68-T140 WeakPolarHBondContact CA-O 3.22Å; G68-T140 PolarHBondContact N-OG1 2.85Å; R73-T140 HydrophobicContact CG-CG2 4.28Å; H76-T140 HydrophobicContact CB-CG2 3.88Å; L83-T140 HydrophobicContact CD2-CG2 3.98Å; D138-T140 VanDerWaalsContact CG-OG1 3.28Å; D138-T140 PolarHBondContact O-N 3.36Å; D138-T140 VanDerWaalsContact O-N 3.09Å; D138-T140 WeakPolarHBondContact OD1-CA 3.26Å; D138-T140 VanDerWaalsContact OD1-CB 3.25Å; D138-T140 WeakPolarHBondContact OD1-CB 3.41Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.37Å; D138-T140 PolarHBondContact OD1-N 2.84Å; D138-T140 PolarHBondContact OD1-OG1 3.22Å; D138-T140 PolarHBondContact OD2-OG1 2.97Å; T140-K142 PolarHBondContact O-N 3.4Å
141	V	98.3	Very high	98.1	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.018	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	101.7	179.2	-179.3	0	0	0	0	109.3	V115 D138 G143 G144	V115-V141 HydrophobicContact CB-CG1 4.44Å; V115-V141 HydrophobicContact CG1-CG1 3.88Å; D138-V141 HydrophobicContact CB-CB 4.4Å; D138-V141 HydrophobicContact CB-CG2 4.05Å; D138-V141 PolarHBondContact O-N 3.47Å; V141-G143 PolarHBondContact O-N 2.97Å; V141-G144 PolarHBondContact O-N 3.38Å
142	K	96.8	Very high	98.1	Very high	100 Å²	100	17.4 Å²	17.4	44%	0.435	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	53.3	31	177.5	-53.8	-66.7	-175.2	178.6	0	113.4	D114 T140 G144 T145 Y147	D114-K142 VanDerWaalsContact O-CE 3.31Å; D114-K142 WeakPolarHBondContact O-CE 3.46Å; T140-K142 PolarHBondContact O-N 3.4Å; K142-G144 VanDerWaalsContact C-N 3.29Å; K142-G144 PolarHBondContact O-N 3.02Å; K142-T145 WeakPolarHBondContact O-CG2 3.33Å; K142-T145 PolarHBondContact O-OG1 3.27Å; K142-Y147 HydrophobicContact CB-CE2 4.01Å; K142-Y147 HydrophobicContact CG-CE2 3.92Å
143	G	94.8	Very high	98.1	Very high	40 Å²	40	17.4 Å²	17.4	41%	0.412	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	73.3	17.9	-176.7	0	0	0	0	0	114.3	A139 V141 T145 G175	A139-G143 CarbonylContact O-C 3.55Å; A139-G143 WeakPolarHBondContact O-CA 3.14Å; A139-G143 PolarHBondContact O-N 3.17Å; V141-G143 PolarHBondContact O-N 2.97Å; G143-T145 VanDerWaalsContact C-N 3.28Å; G143-T145 PolarHBondContact O-N 2.93Å; G143-G175 PolarHBondContact O-N 3.12Å
144	G	95.6	Very high	98.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	72.2	18.8	-177.2	0	0	0	0	0	113.6	D138 V141 K142 S174	D138-G144 WeakPolarHBondContact O-CA 3.47Å; D138-G144 PolarHBondContact O-N 3.48Å; V141-G144 PolarHBondContact O-N 3.38Å; K142-G144 VanDerWaalsContact C-N 3.29Å; K142-G144 PolarHBondContact O-N 3.02Å; G144-S174 WeakPolarHBondContact O-CB 3.28Å; G144-S174 PolarHBondContact O-OG 3.39Å
145	T	96.6	Very high	98.1	Very high	26 Å²	26	18.5 Å²	18.5	16%	0.16	11%	0.105	C	C	.	.			trans	-70	144.1	-178	58.1	0	0	0	0	112.2	K142 G143 Y147 G176	K142-T145 WeakPolarHBondContact O-CG2 3.33Å; K142-T145 PolarHBondContact O-OG1 3.27Å; G143-T145 VanDerWaalsContact C-N 3.28Å; G143-T145 PolarHBondContact O-N 2.93Å; T145-Y147 PolarHBondContact O-N 3.36Å; T145-G176 CarbonylContact C-O 3.39Å; T145-G176 WeakPolarHBondContact CA-O 3.33Å
146	Y	98.3	Very high	98.1	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.027	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-77.2	110	178.3	-80.8	-106.2	0	0	0	112	M120 N137 T150 V151 H154 S174 G176 N178 F192 I195	M120-Y146 HydrophobicContact CE-CE1 4.31Å; N137-Y146 PolarHBondContact ND2-OH 3.08Å; N137-Y146 VanDerWaalsContact ND2-OH 3.12Å; Y146-T150 HydrophobicContact CD1-CG2 3.43Å; Y146-T150 VanDerWaalsContact CD1-CG2 3.43Å; Y146-T150 HydrophobicContact CD2-CG2 4.43Å; Y146-T150 HydrophobicContact CE1-CG2 3.68Å; Y146-T150 HydrophobicContact CG-CG2 3.84Å; Y146-V151 HydrophobicContact CD1-CG2 4.02Å; Y146-H154 HydrophobicContact CE1-CB 4.23Å; Y146-H154 AromaticContact CE1-ND1 3.67Å; Y146-H154 AromaticContact CZ-ND1 3.81Å; Y146-H154 PolarHBondContact OH-ND1 3.49Å; Y146-H154 VanDerWaalsContact OH-ND1 3.13Å; Y146-S174 WeakPolarHBondContact CD2-OG 3.48Å; Y146-S174 WeakPolarHBondContact CE2-OG 3.41Å; Y146-G176 PolarHBondContact N-O 2.94Å; Y146-N178 WeakPolarHBondContact O-CB 3.17Å; Y146-N178 PolarHBondContact O-N 2.69Å; Y146-F192 AromaticContact CD1-CD2 3.75Å; Y146-F192 HydrophobicContact CD1-CD2 3.75Å; Y146-F192 AromaticContact CD1-CE2 3.46Å; Y146-F192 HydrophobicContact CD1-CE2 3.46Å; Y146-F192 VanDerWaalsContact CD1-CE2 3.46Å; Y146-F192 AromaticContact CD2-CE2 3.57Å; Y146-F192 HydrophobicContact CD2-CE2 3.57Å; Y146-F192 HydrophobicContact CD2-CZ 4.22Å; Y146-F192 HydrophobicContact CE1-CD2 4.24Å; Y146-F192 AromaticContact CE1-CE2 3.71Å; Y146-F192 HydrophobicContact CE1-CE2 3.71Å; Y146-F192 AromaticContact CE2-CE2 3.81Å; Y146-F192 HydrophobicContact CE2-CE2 3.81Å; Y146-F192 HydrophobicContact CE2-CZ 4.34Å; Y146-F192 AromaticContact CG-CD2 3.91Å; Y146-F192 HydrophobicContact CG-CD2 3.91Å; Y146-F192 AromaticContact CG-CE2 3.39Å; Y146-F192 HydrophobicContact CG-CE2 3.39Å; Y146-F192 HydrophobicContact CG-CZ 4.41Å; Y146-F192 AromaticContact CZ-CE2 3.89Å; Y146-I195 HydrophobicContact CE1-CD1 4.06Å
147	Y	98.6	Very high	98.1	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.016	10%	0.104	C	C	.	.			trans	-81.4	165.7	162.7	-78.9	-114.2	0	0	0	109.6	Y110 E113 V115 K142 T145 I149 T150 V151 N178	Y110-Y147 HydrophobicContact CD1-CD1 4.2Å; Y110-Y147 AromaticContact CD2-CD1 3.8Å; Y110-Y147 HydrophobicContact CD2-CD1 3.8Å; Y110-Y147 HydrophobicContact CD2-CE1 4.28Å; Y110-Y147 HydrophobicContact CE1-CD1 4.13Å; Y110-Y147 AromaticContact CE2-CD1 3.69Å; Y110-Y147 HydrophobicContact CE2-CD1 3.69Å; Y110-Y147 HydrophobicContact CE2-CG 4.21Å; Y110-Y147 HydrophobicContact CG-CD1 4.04Å; Y110-Y147 HydrophobicContact CG-CE1 4.31Å; Y110-Y147 AromaticContact CZ-CD1 3.87Å; E113-Y147 PolarHBondContact OE2-OH 2.79Å; V115-Y147 HydrophobicContact CG1-CD2 4.12Å; V115-Y147 HydrophobicContact CG1-CE2 4.49Å; V115-Y147 HydrophobicContact CG1-CG 4.27Å; V115-Y147 HydrophobicContact CG2-CD1 3.94Å; V115-Y147 HydrophobicContact CG2-CD2 4.32Å; V115-Y147 HydrophobicContact CG2-CE1 3.71Å; V115-Y147 HydrophobicContact CG2-CE2 4.14Å; V115-Y147 HydrophobicContact CG2-CG 4.25Å; K142-Y147 HydrophobicContact CB-CE2 4.01Å; K142-Y147 HydrophobicContact CG-CE2 3.92Å; T145-Y147 PolarHBondContact O-N 3.36Å; Y147-I149 PolarHBondContact O-N 2.85Å; Y147-I149 VanDerWaalsContact O-N 3.14Å; Y147-T150 PolarHBondContact N-OG1 2.85Å; Y147-T150 WeakPolarHBondContact O-CA 3.37Å; Y147-T150 VanDerWaalsContact O-CB 3.28Å; Y147-T150 WeakPolarHBondContact O-CB 3.35Å; Y147-T150 PolarHBondContact O-N 2.88Å; Y147-T150 PolarHBondContact O-OG1 2.97Å; Y147-V151 PolarHBondContact O-N 3.15Å; Y147-V151 VanDerWaalsContact O-N 3.15Å; Y147-N178 HydrophobicContact CD2-CB 4.08Å; Y147-N178 HydrophobicContact CE2-CB 4.21Å; Y147-N178 HydrophobicContact CG-CB 4.32Å; Y147-N178 PolarHBondContact OH-ND2 3.41Å
148	P	98.6	Very high	98.1	Very high	31 Å²	31	18.4 Å²	18.4	20%	0.201	10%	0.103	C	C	.	.	H	α-helix	trans	-50.5	-40.2	174.7	-29.5	35.6	0	0	0	113	Y110 V151 K152 R181 D184 V185	Y110-P148 WeakPolarHBondContact OH-CD 3.42Å; P148-V151 PolarHBondContact O-N 2.99Å; P148-K152 PolarHBondContact O-N 3.08Å; P148-K152 VanDerWaalsContact O-N 3.12Å; P148-R181 HydrophobicContact CG-CB 4.24Å; P148-D184 HydrophobicContact CB-CB 4.14Å; P148-D184 WeakPolarHBondContact CB-O 3.42Å; P148-D184 HydrophobicContact CG-CB 3.6Å; P148-V185 HydrophobicContact CG-CG2 3.87Å
149	I	98.7	Very high	98.1	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-71	-31.2	178.4	-156.6	63.4	0	0	0	113.1	A105 L109 Y110 Y147 V151 K152 K153 A525 L527	A105-I149 HydrophobicContact CB-CG1 4.17Å; L109-I149 HydrophobicContact CD2-CB 4.01Å; L109-I149 HydrophobicContact CD2-CD1 4.03Å; L109-I149 HydrophobicContact CD2-CG1 4.06Å; Y110-I149 HydrophobicContact CE2-CB 4.3Å; Y110-I149 HydrophobicContact CE2-CG2 3.67Å; Y110-I149 VanDerWaalsContact OH-CB 3.29Å; Y110-I149 WeakPolarHBondContact OH-CB 3.26Å; Y110-I149 WeakPolarHBondContact OH-CG2 3.47Å; Y110-I149 PolarHBondContact OH-N 3.48Å; Y147-I149 PolarHBondContact O-N 2.85Å; Y147-I149 VanDerWaalsContact O-N 3.14Å; I149-V151 VanDerWaalsContact C-N 3.33Å; I149-K152 HydrophobicContact CD1-CD 4.29Å; I149-K152 PolarHBondContact O-N 3.17Å; I149-K153 VanDerWaalsContact O-CB 3.32Å; I149-K153 WeakPolarHBondContact O-CB 3.21Å; I149-K153 PolarHBondContact O-N 2.89Å; I149-A525 VanDerWaalsContact CD1-O 3.32Å; I149-A525 WeakPolarHBondContact CD1-O 3.41Å; I149-A525 WeakPolarHBondContact CG1-O 3.41Å; I149-L527 HydrophobicContact CD1-CD1 3.46Å; I149-L527 VanDerWaalsContact CD1-CD1 3.46Å; I149-L527 HydrophobicContact CG1-CD1 3.72Å
150	T	98.8	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.2	-43.4	0	0	0	0	110.1	G118 M120 Y146 Y147 K153 H154	G118-T150 VanDerWaalsContact O-CB 3.26Å; G118-T150 WeakPolarHBondContact O-CB 3.39Å; G118-T150 WeakPolarHBondContact O-CG2 3.42Å; G118-T150 PolarHBondContact O-OG1 2.79Å; M120-T150 HydrophobicContact CE-CG2 4.27Å; M120-T150 HydrophobicContact CG-CG2 4.39Å; M120-T150 HydrophobicContact SD-CG2 4.25Å; Y146-T150 HydrophobicContact CD1-CG2 3.43Å; Y146-T150 VanDerWaalsContact CD1-CG2 3.43Å; Y146-T150 HydrophobicContact CD2-CG2 4.43Å; Y146-T150 HydrophobicContact CE1-CG2 3.68Å; Y146-T150 HydrophobicContact CG-CG2 3.84Å; Y147-T150 PolarHBondContact N-OG1 2.85Å; Y147-T150 WeakPolarHBondContact O-CA 3.37Å; Y147-T150 VanDerWaalsContact O-CB 3.28Å; Y147-T150 WeakPolarHBondContact O-CB 3.35Å; Y147-T150 PolarHBondContact O-N 2.88Å; Y147-T150 PolarHBondContact O-OG1 2.97Å; T150-K153 PolarHBondContact O-N 3.13Å; T150-H154 WeakPolarHBondContact O-CB 3.45Å; T150-H154 PolarHBondContact O-N 3Å
151	V	98.8	Very high	98.2	Very high	3 Å²	3	19 Å²	19	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-60.7	-52.9	175.1	-177	0	0	0	0	110	Y146 Y147 P148 I149 K153 H154 L155 V185 F192	Y146-V151 HydrophobicContact CD1-CG2 4.02Å; Y147-V151 PolarHBondContact O-N 3.15Å; Y147-V151 VanDerWaalsContact O-N 3.15Å; P148-V151 PolarHBondContact O-N 2.99Å; I149-V151 VanDerWaalsContact C-N 3.33Å; V151-K153 VanDerWaalsContact C-N 3.26Å; V151-K153 PolarHBondContact O-N 3.49Å; V151-H154 PolarHBondContact O-N 3.37Å; V151-H154 VanDerWaalsContact O-N 3.13Å; V151-L155 HydrophobicContact CG1-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 2.9Å; V151-V185 HydrophobicContact CG2-CG1 3.93Å; V151-F192 HydrophobicContact CG2-CB 4.42Å; V151-F192 HydrophobicContact CG2-CD2 4.11Å
152	K	98.9	Very high	98.2	Very high	88 Å²	88	22.2 Å²	22.2	38%	0.383	12%	0.117	S	C	.	.	H	α-helix	trans	-55.9	-41.1	179.3	-169.8	177.3	-177.1	179.6	0	112.3	P148 I149 R156 R526 L527	P148-K152 PolarHBondContact O-N 3.08Å; P148-K152 VanDerWaalsContact O-N 3.12Å; I149-K152 HydrophobicContact CD1-CD 4.29Å; I149-K152 PolarHBondContact O-N 3.17Å; K152-R156 WeakPolarHBondContact O-CB 3.35Å; K152-R156 PolarHBondContact O-N 3.09Å; K152-R526 WeakPolarHBondContact CE-O 3.12Å; K152-R526 PolarHBondContact NZ-O 3.03Å; K152-L527 HydrophobicContact CD-CB 4.29Å; K152-L527 HydrophobicContact CG-CD2 4.29Å
153	K	98.9	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-41.7	177.7	-174.4	170.6	176.4	174.7	0	112.8	S102 A105 A117 M120 T122 I149 T150 V151 R156 A157 L527	S102-K153 WeakPolarHBondContact O-CE 3.32Å; S102-K153 PolarHBondContact O-NZ 2.79Å; A105-K153 HydrophobicContact CB-CD 3.71Å; A117-K153 WeakPolarHBondContact O-CD 3.42Å; A117-K153 PolarHBondContact O-NZ 3.09Å; M120-K153 HydrophobicContact CG-CB 4.45Å; M120-K153 HydrophobicContact CG-CD 3.7Å; M120-K153 HydrophobicContact CG-CG 4.03Å; M120-K153 WeakPolarHBondContact O-CE 3.45Å; M120-K153 PolarHBondContact O-NZ 3.05Å; M120-K153 HydrophobicContact SD-CB 3.94Å; M120-K153 HydrophobicContact SD-CD 4.2Å; M120-K153 HydrophobicContact SD-CG 3.83Å; T122-K153 HydrophobicContact CG2-CG 4.12Å; T122-K153 WeakPolarHBondContact OG1-CE 3.47Å; I149-K153 VanDerWaalsContact O-CB 3.32Å; I149-K153 WeakPolarHBondContact O-CB 3.21Å; I149-K153 PolarHBondContact O-N 2.89Å; T150-K153 PolarHBondContact O-N 3.13Å; V151-K153 VanDerWaalsContact C-N 3.26Å; V151-K153 PolarHBondContact O-N 3.49Å; K153-R156 PolarHBondContact O-N 2.82Å; K153-A157 PolarHBondContact O-N 3.48Å; K153-L527 HydrophobicContact CB-CD2 3.73Å; K153-L527 HydrophobicContact CG-CD2 4.17Å
154	H	98.9	Very high	98.5	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-45.7	174.9	-163.2	170.2	0	0	0	111.1	M120 Y146 T150 V151 R156 A157 Q158 Y170 I195	M120-H154 HydrophobicContact CE-CB 3.84Å; M120-H154 HydrophobicContact SD-CB 3.94Å; Y146-H154 HydrophobicContact CE1-CB 4.23Å; Y146-H154 AromaticContact CE1-ND1 3.67Å; Y146-H154 AromaticContact CZ-ND1 3.81Å; Y146-H154 PolarHBondContact OH-ND1 3.49Å; Y146-H154 VanDerWaalsContact OH-ND1 3.13Å; T150-H154 WeakPolarHBondContact O-CB 3.45Å; T150-H154 PolarHBondContact O-N 3Å; V151-H154 PolarHBondContact O-N 3.37Å; V151-H154 VanDerWaalsContact O-N 3.13Å; H154-R156 VanDerWaalsContact C-N 3.33Å; H154-R156 PolarHBondContact O-N 2.57Å; H154-A157 WeakPolarHBondContact O-CB 3.4Å; H154-A157 PolarHBondContact O-N 2.86Å; H154-A157 VanDerWaalsContact O-N 3.16Å; H154-Q158 PolarHBondContact O-N 2.83Å; H154-Q158 VanDerWaalsContact O-N 3.08Å; H154-Y170 AromaticContact NE2-CD1 3.55Å; H154-Y170 AromaticContact NE2-CE1 3.24Å; H154-Y170 WeakPolarHBondContact NE2-CE1 3.45Å; H154-I195 HydrophobicContact CB-CD1 4.19Å; H154-I195 HydrophobicContact CB-CG1 4.38Å; H154-I195 VanDerWaalsContact CE1-CG2 3.48Å; H154-I195 WeakPolarHBondContact CE1-CG2 3.32Å; H154-I195 VanDerWaalsContact ND1-CD1 3.31Å; H154-I195 WeakPolarHBondContact ND1-CD1 3.43Å
155	L	98.9	Very high	98.6	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.105	10%	0.095	C	C	.	.	H	α-helix	trans	-63.4	-38.4	177.4	-64.5	-177.6	0	0	0	112.3	V151 A157 Q158 E159 D190 R194 I195	V151-L155 HydrophobicContact CG1-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 2.9Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 2.86Å; L155-Q158 PolarHBondContact O-N 3.45Å; L155-E159 WeakPolarHBondContact O-CB 3.46Å; L155-E159 PolarHBondContact O-N 2.99Å; L155-D190 HydrophobicContact CD1-CB 4.1Å; L155-D190 WeakPolarHBondContact CD1-O 3.43Å; L155-R194 HydrophobicContact CD1-CB 3.92Å; L155-R194 HydrophobicContact CD1-CG 4.01Å; L155-R194 HydrophobicContact CD2-CB 3.68Å; L155-R194 HydrophobicContact CD2-CG 3.72Å; L155-R194 HydrophobicContact CG-CB 4.48Å; L155-I195 HydrophobicContact CD2-CB 4.47Å; L155-I195 HydrophobicContact CD2-CG1 3.71Å; L155-I195 HydrophobicContact CG-CG1 4.47Å
156	R	98.9	Very high	98.7	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.019	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-40	173.6	-179.9	50.4	175	158.8	13.4	112.1	K152 K153 H154 Q158 E159 I160 R461 L527 D530	K152-R156 WeakPolarHBondContact O-CB 3.35Å; K152-R156 PolarHBondContact O-N 3.09Å; K153-R156 PolarHBondContact O-N 2.82Å; H154-R156 VanDerWaalsContact C-N 3.33Å; H154-R156 PolarHBondContact O-N 2.57Å; R156-Q158 VanDerWaalsContact C-N 3.33Å; R156-Q158 PolarHBondContact O-N 3.42Å; R156-E159 VanDerWaalsContact CD-OE2 3.27Å; R156-E159 WeakPolarHBondContact CD-OE2 3.42Å; R156-E159 IonicContact CZ-OE2 3.29Å; R156-E159 IonicContact NE-OE2 3.24Å; R156-E159 IonicContact NH1-OE1 2.84Å; R156-E159 IonicContact NH1-OE2 3.75Å; R156-E159 PolarHBondContact NH1-OE2 3.06Å; R156-E159 PolarHBondContact O-N 3.41Å; R156-I160 HydrophobicContact CG-CD1 4.2Å; R156-I160 WeakPolarHBondContact O-CG1 3.39Å; R156-I160 PolarHBondContact O-N 2.99Å; R156-R461 PolarHBondContact NH2-O 3.35Å; R156-L527 HydrophobicContact CB-CD2 4.2Å; R156-D530 IonicContact CZ-OD1 3.88Å; R156-D530 IonicContact CZ-OD2 2.85Å; R156-D530 IonicContact NE-OD1 2.7Å; R156-D530 PolarHBondContact NE-OD1 2.94Å; R156-D530 IonicContact NE-OD2 2.74Å; R156-D530 IonicContact NH2-OD1 3.65Å; R156-D530 PolarHBondContact NH2-OD1 2.77Å; R156-D530 IonicContact NH2-OD2 2.98Å; R156-D530 PolarHBondContact NH2-OD2 2.6Å
157	A	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.2	-42.3	175.1	0	0	0	0	0	112	F101 T122 V133 V135 K153 H154 L155 I160 A161	F101-A157 HydrophobicContact CE2-CB 3.83Å; F101-A157 HydrophobicContact CZ-CB 3.75Å; T122-A157 HydrophobicContact CG2-CB 3.92Å; V133-A157 HydrophobicContact CG1-CB 4.09Å; V135-A157 HydrophobicContact CG2-CB 3.73Å; K153-A157 PolarHBondContact O-N 3.48Å; H154-A157 WeakPolarHBondContact O-CB 3.4Å; H154-A157 PolarHBondContact O-N 2.86Å; H154-A157 VanDerWaalsContact O-N 3.16Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 2.86Å; A157-I160 PolarHBondContact O-N 3.12Å; A157-A161 PolarHBondContact O-N 2.89Å
158	Q	98.9	Very high	98.8	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-36.8	174.9	-72.7	-179.6	-37.4	0	0	112.7	H154 L155 R156 A161 Q162 Y170 I195 N198 L202	H154-Q158 PolarHBondContact O-N 2.83Å; H154-Q158 VanDerWaalsContact O-N 3.08Å; L155-Q158 PolarHBondContact O-N 3.45Å; R156-Q158 VanDerWaalsContact C-N 3.33Å; R156-Q158 PolarHBondContact O-N 3.42Å; Q158-A161 WeakPolarHBondContact O-CB 3.45Å; Q158-A161 PolarHBondContact O-N 2.91Å; Q158-Q162 WeakPolarHBondContact O-CB 3.25Å; Q158-Q162 PolarHBondContact O-N 3.19Å; Q158-Y170 PolarHBondContact NE2-OH 3.39Å; Q158-I195 PolarHBondContact NE2-O 3.04Å; Q158-N198 HydrophobicContact CB-CB 4.28Å; Q158-N198 HydrophobicContact CG-CB 4.5Å; Q158-N198 PolarHBondContact OE1-ND2 3.2Å; Q158-L202 HydrophobicContact CB-CD1 4.28Å; Q158-L202 HydrophobicContact CG-CD1 4.35Å
159	E	98.9	Very high	98.8	Very high	59 Å²	59	16.7 Å²	16.7	28%	0.276	8%	0.077	S	C	.	.	H	α-helix	trans	-62.6	-44.8	174	-173.9	-170.8	-172.2	0	0	111.1	L155 R156 A161 Q162 Q163	L155-E159 WeakPolarHBondContact O-CB 3.46Å; L155-E159 PolarHBondContact O-N 2.99Å; R156-E159 VanDerWaalsContact CD-OE2 3.27Å; R156-E159 WeakPolarHBondContact CD-OE2 3.42Å; R156-E159 IonicContact CZ-OE2 3.29Å; R156-E159 IonicContact NE-OE2 3.24Å; R156-E159 IonicContact NH1-OE1 2.84Å; R156-E159 IonicContact NH1-OE2 3.75Å; R156-E159 PolarHBondContact NH1-OE2 3.06Å; R156-E159 PolarHBondContact O-N 3.41Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 3.01Å; E159-Q162 PolarHBondContact O-N 3.45Å; E159-Q163 HydrophobicContact CG-CG 4.34Å; E159-Q163 WeakPolarHBondContact O-CB 3.48Å; E159-Q163 VanDerWaalsContact O-CG 3.27Å; E159-Q163 WeakPolarHBondContact O-CG 3.39Å; E159-Q163 PolarHBondContact O-N 2.82Å; E159-Q163 PolarHBondContact OE1-NE2 2.92Å
160	I	98.9	Very high	98.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-43.5	174.1	-71.9	170	0	0	0	110.3	F101 I124 V133 R156 A157 N164 F462	F101-I160 HydrophobicContact CD1-CD1 4.19Å; F101-I160 HydrophobicContact CD2-CD1 3.96Å; F101-I160 HydrophobicContact CE1-CD1 4.07Å; F101-I160 HydrophobicContact CE2-CD1 3.82Å; F101-I160 HydrophobicContact CG-CD1 4.15Å; F101-I160 HydrophobicContact CZ-CD1 3.89Å; I124-I160 HydrophobicContact CD1-CG2 3.94Å; V133-I160 HydrophobicContact CG2-CG2 4.27Å; R156-I160 HydrophobicContact CG-CD1 4.2Å; R156-I160 WeakPolarHBondContact O-CG1 3.39Å; R156-I160 PolarHBondContact O-N 2.99Å; A157-I160 PolarHBondContact O-N 3.12Å; I160-N164 VanDerWaalsContact O-CB 3.32Å; I160-N164 WeakPolarHBondContact O-CB 3.41Å; I160-N164 PolarHBondContact O-N 3.25Å; I160-N164 VanDerWaalsContact O-N 3.13Å; I160-N164 PolarHBondContact O-ND2 3.01Å; I160-F462 HydrophobicContact CD1-CD1 4.37Å; I160-F462 HydrophobicContact CD1-CE1 4.13Å; I160-F462 HydrophobicContact CG1-CE1 4.36Å; I160-F462 HydrophobicContact CG2-CE1 3.73Å; I160-F462 HydrophobicContact CG2-CZ 3.86Å
161	A	98.9	Very high	98.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.3	-47	176.2	0	0	0	0	0	111.8	V133 A157 Q158 E159 N164 H165 L166 C168	V133-A161 HydrophobicContact CB-CB 4.17Å; V133-A161 HydrophobicContact CG2-CB 3.85Å; A157-A161 PolarHBondContact O-N 2.89Å; Q158-A161 WeakPolarHBondContact O-CB 3.45Å; Q158-A161 PolarHBondContact O-N 2.91Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 3.01Å; A161-N164 PolarHBondContact O-N 3.43Å; A161-H165 WeakPolarHBondContact O-CA 3.4Å; A161-H165 PolarHBondContact O-N 3.47Å; A161-L166 PolarHBondContact O-N 3.13Å; A161-C168 WeakPolarHBondContact CB-SG 3.5Å
162	Q	98.7	Very high	98.8	Very high	70 Å²	70	16.6 Å²	16.6	33%	0.327	8%	0.077	S	C	.	.	H	α-helix	trans	-62	-53.5	179.7	-168.5	176.4	24.4	0	0	111.7	Q158 E159 N164 H165 L202 E205	Q158-Q162 WeakPolarHBondContact O-CB 3.25Å; Q158-Q162 PolarHBondContact O-N 3.19Å; E159-Q162 PolarHBondContact O-N 3.45Å; Q162-N164 PolarHBondContact O-N 2.91Å; Q162-H165 PolarHBondContact O-N 3.31Å; Q162-H165 PolarHBondContact O-ND1 2.92Å; Q162-L202 HydrophobicContact CB-CD2 3.57Å; Q162-L202 HydrophobicContact CG-CD2 3.84Å; Q162-E205 PolarHBondContact NE2-OE2 2.93Å; Q162-E205 VanDerWaalsContact NE2-OE2 3.16Å
163	Q	98.3	Very high	98.8	Very high	40 Å²	40	12.7 Å²	12.7	19%	0.187	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-32.1	-174.6	-71.3	177	-2.4	0	0	111.2	E159 R461 A552	E159-Q163 HydrophobicContact CG-CG 4.34Å; E159-Q163 WeakPolarHBondContact O-CB 3.48Å; E159-Q163 VanDerWaalsContact O-CG 3.27Å; E159-Q163 WeakPolarHBondContact O-CG 3.39Å; E159-Q163 PolarHBondContact O-N 2.82Å; E159-Q163 PolarHBondContact OE1-NE2 2.92Å; Q163-R461 VanDerWaalsContact O-CZ 3.26Å; Q163-R461 PolarHBondContact O-NH1 3.32Å; Q163-A552 VanDerWaalsContact O-CB 3.3Å; Q163-A552 WeakPolarHBondContact O-CB 3.48Å
164	N	98.6	Very high	98.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-106.8	3.7	-174.8	-55	-57.8	0	0	0	114.1	I160 A161 Q162 L166 R461 A549 N551 A552	I160-N164 VanDerWaalsContact O-CB 3.32Å; I160-N164 WeakPolarHBondContact O-CB 3.41Å; I160-N164 PolarHBondContact O-N 3.25Å; I160-N164 VanDerWaalsContact O-N 3.13Å; I160-N164 PolarHBondContact O-ND2 3.01Å; A161-N164 PolarHBondContact O-N 3.43Å; Q162-N164 PolarHBondContact O-N 2.91Å; N164-L166 HydrophobicContact CB-CD1 3.87Å; N164-L166 HydrophobicContact CB-CD2 4.5Å; N164-L166 HydrophobicContact CB-CG 3.85Å; N164-L166 PolarHBondContact O-N 2.93Å; N164-R461 WeakPolarHBondContact OD1-CD 3.06Å; N164-R461 PolarHBondContact OD1-NH1 2.82Å; N164-A549 VanDerWaalsContact OD1-CA 3.25Å; N164-A549 WeakPolarHBondContact OD1-CA 3.35Å; N164-A549 WeakPolarHBondContact OD1-CB 3.32Å; N164-N551 WeakPolarHBondContact O-CB 3.44Å; N164-A552 PolarHBondContact O-N 3.12Å
165	H	98.2	Very high	98.3	Very high	48 Å²	48	14.9 Å²	14.9	22%	0.222	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	48.7	-179.8	-68.1	48	0	0	0	113.7	A161 Q162 Y297 A552 P553	A161-H165 WeakPolarHBondContact O-CA 3.4Å; A161-H165 PolarHBondContact O-N 3.47Å; Q162-H165 PolarHBondContact O-N 3.31Å; Q162-H165 PolarHBondContact O-ND1 2.92Å; H165-Y297 PolarHBondContact O-OH 3.19Å; H165-A552 HydrophobicContact CB-CB 4.33Å; H165-P553 VanDerWaalsContact CD2-CD 3.45Å; H165-P553 WeakPolarHBondContact CD2-CD 3.27Å; H165-P553 WeakPolarHBondContact NE2-CD 3.32Å
166	L	98.8	Very high	98	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.			trans	-104.3	127.7	-178.2	-55.1	173.3	0	0	0	110.1	I124 E131 V133 A161 N164 I207 A548 N551	I124-L166 HydrophobicContact CD1-CD1 3.64Å; I124-L166 HydrophobicContact CG1-CD1 4.12Å; I124-L166 HydrophobicContact CG2-CD1 4.32Å; E131-L166 HydrophobicContact CB-CD2 4.07Å; V133-L166 HydrophobicContact CG2-CB 3.95Å; V133-L166 HydrophobicContact CG2-CD1 3.74Å; A161-L166 PolarHBondContact O-N 3.13Å; N164-L166 HydrophobicContact CB-CD1 3.87Å; N164-L166 HydrophobicContact CB-CD2 4.5Å; N164-L166 HydrophobicContact CB-CG 3.85Å; N164-L166 PolarHBondContact O-N 2.93Å; L166-I207 WeakPolarHBondContact O-CG2 3.24Å; L166-A548 HydrophobicContact CD1-CB 4.29Å; L166-N551 HydrophobicContact CD2-CB 3.96Å; L166-N551 WeakPolarHBondContact CD2-ND2 3.34Å
167	P	98.9	Very high	97.8	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.019	9%	0.094	C	C	.	.			trans	-53.1	143.8	169.8	-27.6	37	0	0	0	112.2	V130 C132 V133 A208 L295 Y297	V130-P167 HydrophobicContact CG1-CG 4.02Å; C132-P167 CarbonylContact C-O 3.54Å; C132-P167 WeakPolarHBondContact CA-O 3.42Å; V133-P167 PolarHBondContact N-O 2.63Å; P167-A208 WeakPolarHBondContact CA-O 3.47Å; P167-A208 HydrophobicContact CB-CB 4.27Å; P167-L295 HydrophobicContact CB-CD1 4.06Å; P167-L295 HydrophobicContact CG-CD1 3.96Å; P167-Y297 HydrophobicContact CG-CD2 3.99Å; P167-Y297 HydrophobicContact CG-CE2 3.89Å
168	C	98.9	Very high	97.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.4	-179.8	-65.1	0	0	0	0	110.8	V133 A161 Y170 A208 I210	V133-C168 CarbonylContact O-C 3.45Å; V133-C168 WeakPolarHBondContact O-CA 3.43Å; A161-C168 WeakPolarHBondContact CB-SG 3.5Å; C168-Y170 HydrophobicContact CB-CD2 4.39Å; C168-Y170 HydrophobicContact CB-CE1 4.33Å; C168-Y170 HydrophobicContact CB-CE2 3.58Å; C168-Y170 WeakPolarHBondContact CB-OH 3.25Å; C168-Y170 PolarHBondContact SG-OH 3.15Å; C168-A208 PolarHBondContact N-O 3Å; C168-I210 PolarHBondContact O-N 2.82Å
169	I	98.9	Very high	97.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.2	171	-53.6	171.3	0	0	0	108.8	L91 V127 C132 V133 V134 V135 L171 I210 V212 V292	L91-I169 HydrophobicContact CD2-CB 4.5Å; L91-I169 HydrophobicContact CD2-CD1 4.07Å; L91-I169 HydrophobicContact CD2-CG2 3.96Å; V127-I169 HydrophobicContact CB-CD1 4.25Å; V127-I169 HydrophobicContact CG1-CD1 4.22Å; V127-I169 HydrophobicContact CG2-CD1 3.9Å; C132-I169 HydrophobicContact CB-CD1 3.9Å; C132-I169 HydrophobicContact CB-CG1 4.3Å; V133-I169 PolarHBondContact O-N 3.43Å; V134-I169 WeakPolarHBondContact CA-O 3.47Å; V135-I169 PolarHBondContact N-O 3.4Å; I169-L171 HydrophobicContact CG2-CD2 4.03Å; I169-I210 CarbonylContact C-O 3.54Å; I169-I210 WeakPolarHBondContact CA-O 3.48Å; I169-I210 HydrophobicContact CG1-CB 4.44Å; I169-I210 HydrophobicContact CG1-CD1 4.33Å; I169-V212 HydrophobicContact CG2-CG2 4.31Å; I169-V292 HydrophobicContact CD1-CG2 3.78Å; I169-V292 HydrophobicContact CG1-CG2 4.41Å
170	Y	98.9	Very high	97.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.6	179.4	-55.8	-73.8	0	0	0	110.1	V135 H154 Q158 C168 V172 Q209 I210 V212 V224	V135-Y170 HydrophobicContact CB-CD1 3.82Å; V135-Y170 HydrophobicContact CB-CE1 4.24Å; V135-Y170 HydrophobicContact CG1-CD1 4.31Å; V135-Y170 HydrophobicContact CG2-CD1 4.12Å; V135-Y170 HydrophobicContact CG2-CE1 4.03Å; V135-Y170 CarbonylContact O-C 3.46Å; V135-Y170 WeakPolarHBondContact O-CA 3.34Å; H154-Y170 AromaticContact NE2-CD1 3.55Å; H154-Y170 AromaticContact NE2-CE1 3.24Å; H154-Y170 WeakPolarHBondContact NE2-CE1 3.45Å; Q158-Y170 PolarHBondContact NE2-OH 3.39Å; C168-Y170 HydrophobicContact CB-CD2 4.39Å; C168-Y170 HydrophobicContact CB-CE1 4.33Å; C168-Y170 HydrophobicContact CB-CE2 3.58Å; C168-Y170 WeakPolarHBondContact CB-OH 3.25Å; C168-Y170 PolarHBondContact SG-OH 3.15Å; Y170-V172 PolarHBondContact O-N 3.17Å; Y170-Q209 HydrophobicContact CE2-CB 4.49Å; Y170-Q209 PolarHBondContact OH-OE1 3.05Å; Y170-I210 WeakPolarHBondContact CD2-O 3.43Å; Y170-I210 PolarHBondContact N-O 2.85Å; Y170-V212 PolarHBondContact O-N 3.01Å; Y170-V224 HydrophobicContact CD1-CG1 4.45Å; Y170-V224 HydrophobicContact CD2-CG1 4.2Å; Y170-V224 HydrophobicContact CG-CG1 3.93Å
171	L	98.9	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	91	170.9	-51.3	-179.4	0	0	0	108.4	R87 I88 L91 V134 V135 A136 N137 I169 V212 M214 L285	R87-L171 HydrophobicContact CB-CD1 3.88Å; I88-L171 HydrophobicContact CG1-CD1 4.17Å; L91-L171 HydrophobicContact CD2-CD1 4.43Å; L91-L171 HydrophobicContact CD2-CD2 4.44Å; V134-L171 HydrophobicContact CG1-CD1 4.2Å; V134-L171 HydrophobicContact CG1-CG 4.37Å; V135-L171 PolarHBondContact O-N 2.66Å; A136-L171 HydrophobicContact CB-CB 3.86Å; A136-L171 HydrophobicContact CB-CD1 3.93Å; A136-L171 HydrophobicContact CB-CG 4.26Å; N137-L171 PolarHBondContact N-O 2.79Å; N137-L171 VanDerWaalsContact N-O 3.09Å; I169-L171 HydrophobicContact CG2-CD2 4.03Å; L171-V212 HydrophobicContact CD2-CB 3.77Å; L171-V212 HydrophobicContact CD2-CG1 4.39Å; L171-V212 HydrophobicContact CD2-CG2 3.76Å; L171-M214 HydrophobicContact CB-SD 4.25Å; L171-M214 HydrophobicContact CD2-SD 4.16Å; L171-L285 HydrophobicContact CD1-CD2 4.43Å; L171-L285 HydrophobicContact CD2-CD2 4Å
172	V	98.6	Very high	97.2	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.4	-167.9	-175.4	0	0	0	0	111	Y170 V212 V213 M214 C217 V224	Y170-V172 PolarHBondContact O-N 3.17Å; V172-V212 PolarHBondContact N-O 2.79Å; V172-V213 HydrophobicContact CB-CG2 4.46Å; V172-M214 PolarHBondContact O-N 3.4Å; V172-C217 HydrophobicContact CG1-CB 4.04Å; V172-V224 HydrophobicContact CG2-CB 4.36Å; V172-V224 HydrophobicContact CG2-CG1 3.71Å
173	D	97.8	Very high	97.1	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	72.8	178.3	-162.2	-4.5	0	0	0	109.8	H76 K81 R87 N137 A139 G215	H76-D173 IonicContact CE1-OD2 2.78Å; K81-D173 WeakPolarHBondContact CE-OD2 3.26Å; K81-D173 IonicContact NZ-OD1 3.51Å; K81-D173 PolarHBondContact NZ-OD1 3.39Å; K81-D173 IonicContact NZ-OD2 3.4Å; K81-D173 PolarHBondContact NZ-OD2 2.98Å; R87-D173 IonicContact CZ-OD2 2.77Å; R87-D173 IonicContact NH1-OD2 3.15Å; R87-D173 PolarHBondContact NH1-OD2 2.92Å; R87-D173 IonicContact NH2-OD2 3.85Å; R87-D173 PolarHBondContact NH2-OD2 3.25Å; N137-D173 HydrophobicContact CB-CB 4.4Å; N137-D173 VanDerWaalsContact CB-O 3.31Å; N137-D173 WeakPolarHBondContact CB-O 3.22Å; N137-D173 PolarHBondContact OD1-N 3.19Å; A139-D173 HydrophobicContact CB-CB 4.3Å; D173-G215 WeakPolarHBondContact OD1-CA 3.48Å
174	S	95.2	Very high	97.1	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.4	-168.9	179.2	0	0	0	0	112.9	G144 Y146 G176 S216	G144-S174 WeakPolarHBondContact O-CB 3.28Å; G144-S174 PolarHBondContact O-OG 3.39Å; Y146-S174 WeakPolarHBondContact CD2-OG 3.48Å; Y146-S174 WeakPolarHBondContact CE2-OG 3.41Å; S174-G176 PolarHBondContact O-N 3.38Å; S174-G176 PolarHBondContact OG-N 2.88Å; S174-S216 CarbonylContact C-O 3.57Å; S174-S216 PolarHBondContact N-O 2.84Å; S174-S216 CarbonylContact O-C 3.48Å
175	G	92.1	Very high	97.1	Very high	39 Å²	39	34.7 Å²	34.7	40%	0.402	21%	0.206	S	C	.	.			trans	-72.1	2.3	172.4	0	0	0	0	0	115.7	G143 T218	G143-G175 PolarHBondContact O-N 3.12Å; G175-T218 WeakPolarHBondContact O-CG2 3.44Å
176	G	93.2	Very high	97	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	23%	0.226	C	C	.	.			trans	105.3	-153.2	-179.6	0	0	0	0	0	113.6	T145 Y146 S174	T145-G176 CarbonylContact C-O 3.39Å; T145-G176 WeakPolarHBondContact CA-O 3.33Å; Y146-G176 PolarHBondContact N-O 2.94Å; S174-G176 PolarHBondContact O-N 3.38Å; S174-G176 PolarHBondContact OG-N 2.88Å
177	A	95.3	Very high	97	Very high	37 Å²	37	43.5 Å²	43.5	31%	0.306	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-85.2	151.1	-179.4	0	0	0	0	0	112.6	L179 V185	A177-L179 PolarHBondContact O-N 3.14Å; A177-V185 HydrophobicContact CB-CG1 3.93Å
178	N	95.9	Very high	97	Very high	14 Å²	14	48.6 Å²	48.6	8%	0.075	28%	0.28	C	S	.	.			trans	-70.4	93	168.9	-173.4	-106.6	0	0	0	109.8	Y146 Y147 P180 R181 Q182	Y146-N178 WeakPolarHBondContact O-CB 3.17Å; Y146-N178 PolarHBondContact O-N 2.69Å; Y147-N178 HydrophobicContact CD2-CB 4.08Å; Y147-N178 HydrophobicContact CE2-CB 4.21Å; Y147-N178 HydrophobicContact CG-CB 4.32Å; Y147-N178 PolarHBondContact OH-ND2 3.41Å; N178-P180 VanDerWaalsContact C-CD 3.44Å; N178-R181 CarbonylContact O-C 3.45Å; N178-R181 PolarHBondContact O-N 2.99Å; N178-R181 WeakPolarHBondContact OD1-CB 3.29Å; N178-R181 WeakPolarHBondContact OD1-CG 3.08Å; N178-R181 PolarHBondContact OD1-NH1 3.2Å; N178-Q182 PolarHBondContact O-N 2.95Å
179	L	94.4	Very high	96.9	Very high	135 Å²	135	56.7 Å²	56.7	71%	0.707	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-53.1	-40.5	-174.3	-61.6	178	0	0	0	114.8	A177 R181 Q182	A177-L179 PolarHBondContact O-N 3.14Å; L179-R181 PolarHBondContact O-N 3.35Å; L179-R181 VanDerWaalsContact O-N 3.12Å; L179-Q182 WeakPolarHBondContact O-CB 3.36Å; L179-Q182 WeakPolarHBondContact O-CG 3.44Å; L179-Q182 PolarHBondContact O-N 3.32Å
180	P	96.8	Very high	96.9	Very high	115 Å²	115	60 Å²	60	75%	0.747	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.3	177.1	-25.7	36.4	0	0	0	114.3	N178	N178-P180 VanDerWaalsContact C-CD 3.44Å
181	R	97.1	Very high	96.9	Very high	54 Å²	54	61.4 Å²	61.4	20%	0.204	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-114.3	22.9	-179.4	-64	178.1	177.7	82.1	-0.9	112.5	E113 P148 N178 L179 A183 D184 V185	E113-R181 IonicContact OE1-CZ 3.9Å; E113-R181 VanDerWaalsContact OE1-CZ 3.28Å; E113-R181 IonicContact OE1-NH1 2.69Å; E113-R181 PolarHBondContact OE1-NH1 3.46Å; E113-R181 IonicContact OE1-NH2 3.42Å; E113-R181 PolarHBondContact OE1-NH2 3Å; E113-R181 IonicContact OE2-NH1 2.68Å; P148-R181 HydrophobicContact CG-CB 4.24Å; N178-R181 CarbonylContact O-C 3.45Å; N178-R181 PolarHBondContact O-N 2.99Å; N178-R181 WeakPolarHBondContact OD1-CB 3.29Å; N178-R181 WeakPolarHBondContact OD1-CG 3.08Å; N178-R181 PolarHBondContact OD1-NH1 3.2Å; L179-R181 PolarHBondContact O-N 3.35Å; L179-R181 VanDerWaalsContact O-N 3.12Å; R181-A183 PolarHBondContact O-N 3.24Å; R181-A183 VanDerWaalsContact O-N 3.08Å; R181-D184 PolarHBondContact O-N 3.3Å; R181-V185 WeakPolarHBondContact O-CG2 3.31Å; R181-V185 PolarHBondContact O-N 3.04Å
182	Q	97.2	Very high	96.8	Very high	98 Å²	98	62 Å²	62	46%	0.458	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-55.6	-32.2	-173.6	68.4	77.7	24.6	0	0	113.7	N178 L179 D184 V185 F186	N178-Q182 PolarHBondContact O-N 2.95Å; L179-Q182 WeakPolarHBondContact O-CB 3.36Å; L179-Q182 WeakPolarHBondContact O-CG 3.44Å; L179-Q182 PolarHBondContact O-N 3.32Å; Q182-D184 PolarHBondContact O-N 3.09Å; Q182-V185 PolarHBondContact O-N 2.87Å; Q182-F186 WeakPolarHBondContact O-CB 3.41Å; Q182-F186 PolarHBondContact O-N 3.21Å
183	A	97.8	Very high	96.8	Very high	53 Å²	53	63.6 Å²	63.6	44%	0.438	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-63	-28.4	179.2	0	0	0	0	0	112.9	R181 P187 H191	R181-A183 PolarHBondContact O-N 3.24Å; R181-A183 VanDerWaalsContact O-N 3.08Å; A183-P187 WeakPolarHBondContact O-CD 3.49Å; A183-P187 WeakPolarHBondContact O-CG 3.23Å; A183-H191 PolarHBondContact O-CE1 3.05Å; A183-H191 VanDerWaalsContact O-CE1 3.3Å
184	D	97.3	Very high	96.9	Very high	99 Å²	99	66.8 Å²	66.8	53%	0.529	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-99.5	9	178	-57.5	-41.2	0	0	0	112.2	P148 R181 Q182 H191	P148-D184 HydrophobicContact CB-CB 4.14Å; P148-D184 WeakPolarHBondContact CB-O 3.42Å; P148-D184 HydrophobicContact CG-CB 3.6Å; R181-D184 PolarHBondContact O-N 3.3Å; Q182-D184 PolarHBondContact O-N 3.09Å; D184-H191 VanDerWaalsContact C-CE1 3.4Å
185	V	97.8	Very high	97.1	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-29.3	-176.8	173.5	0	0	0	0	112	P148 V151 A177 R181 Q182 H191 F192	P148-V185 HydrophobicContact CG-CG2 3.87Å; V151-V185 HydrophobicContact CG2-CG1 3.93Å; A177-V185 HydrophobicContact CB-CG1 3.93Å; R181-V185 WeakPolarHBondContact O-CG2 3.31Å; R181-V185 PolarHBondContact O-N 3.04Å; Q182-V185 PolarHBondContact O-N 2.87Å; V185-H191 VanDerWaalsContact O-CB 3.26Å; V185-H191 WeakPolarHBondContact O-CB 3.47Å; V185-F192 HydrophobicContact CG1-CB 4.33Å; V185-F192 WeakPolarHBondContact O-CB 3.44Å; V185-F192 PolarHBondContact O-N 3.48Å
186	F	97.8	Very high	97.4	Very high	146 Å²	146	65.6 Å²	65.6	64%	0.64	35%	0.349	S	S	*	.	S	Bend	trans	-108.4	-52.2	-167.7	179.8	-102.4	0	0	0	116.1	Q182 H191	Q182-F186 WeakPolarHBondContact O-CB 3.41Å; Q182-F186 PolarHBondContact O-N 3.21Å; F186-H191 PolarHBondContact N-ND1 3.32Å; F186-H191 WeakPolarHBondContact O-CB 3.34Å
187	P	97.8	Very high	97.6	Very high	87 Å²	87	71 Å²	71	57%	0.565	37%	0.369	S	S	*	.	S	Bend	trans	-83.6	-29	-158	29.3	-38.4	0	0	0	117.6	A183 H191	A183-P187 WeakPolarHBondContact O-CD 3.49Å; A183-P187 WeakPolarHBondContact O-CG 3.23Å; P187-H191 VanDerWaalsContact CD-ND1 3.31Å; P187-H191 WeakPolarHBondContact CD-ND1 3.41Å
188	D	98.4	Very high	97.8	Very high	111 Å²	111	70.1 Å²	70.1	59%	0.594	36%	0.359	S	S	*	.	S	Bend	trans	-86.9	169.1	-167.5	-159.8	8.6	0	0	0	113.4	D190 H191	D188-D190 PolarHBondContact O-N 3.23Å; D188-H191 PolarHBondContact N-ND1 3.25Å; D188-H191 VanDerWaalsContact O-CB 3.26Å; D188-H191 WeakPolarHBondContact O-CB 3.4Å; D188-H191 PolarHBondContact O-N 3.08Å
189	R	98.4	Very high	97.9	Very high	170 Å²	170	69.4 Å²	69.4	64%	0.642	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-42.1	-176.8	-174.7	-167.2	74.3	-162.1	-4	113.2	R194	R189-R194 WeakPolarHBondContact O-CB 3.32Å; R189-R194 WeakPolarHBondContact O-CD 3.36Å
190	D	98.1	Very high	98.1	Very high	69 Å²	69	65.1 Å²	65.1	37%	0.369	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	28.4	-175.9	-58	-26.5	0	0	0	111.5	L155 D188	L155-D190 HydrophobicContact CD1-CB 4.1Å; L155-D190 WeakPolarHBondContact CD1-O 3.43Å; D188-D190 PolarHBondContact O-N 3.23Å
191	H	98.7	Very high	98.2	Very high	33 Å²	33	64.6 Å²	64.6	15%	0.153	32%	0.323	C	S	.	.	S	Bend	trans	-94.8	-172	173.1	-76.9	-172.6	0	0	0	111.7	A183 D184 V185 F186 P187 D188 G193 R194	A183-H191 PolarHBondContact O-CE1 3.05Å; A183-H191 VanDerWaalsContact O-CE1 3.3Å; D184-H191 VanDerWaalsContact C-CE1 3.4Å; V185-H191 VanDerWaalsContact O-CB 3.26Å; V185-H191 WeakPolarHBondContact O-CB 3.47Å; F186-H191 PolarHBondContact N-ND1 3.32Å; F186-H191 WeakPolarHBondContact O-CB 3.34Å; P187-H191 VanDerWaalsContact CD-ND1 3.31Å; P187-H191 WeakPolarHBondContact CD-ND1 3.41Å; D188-H191 PolarHBondContact N-ND1 3.25Å; D188-H191 VanDerWaalsContact O-CB 3.26Å; D188-H191 WeakPolarHBondContact O-CB 3.4Å; D188-H191 PolarHBondContact O-N 3.08Å; H191-G193 PolarHBondContact O-N 3.02Å; H191-G193 VanDerWaalsContact O-N 3.07Å; H191-R194 WeakPolarHBondContact O-CB 3.31Å; H191-R194 PolarHBondContact O-N 3.46Å
192	F	98.1	Very high	98.3	Very high	13 Å²	13	62.1 Å²	62.1	6%	0.057	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.7	-166.3	-165.5	-108.9	0	0	0	114.2	Y146 V151 V185 R194 I195 F196	Y146-F192 AromaticContact CD1-CD2 3.75Å; Y146-F192 HydrophobicContact CD1-CD2 3.75Å; Y146-F192 AromaticContact CD1-CE2 3.46Å; Y146-F192 HydrophobicContact CD1-CE2 3.46Å; Y146-F192 VanDerWaalsContact CD1-CE2 3.46Å; Y146-F192 AromaticContact CD2-CE2 3.57Å; Y146-F192 HydrophobicContact CD2-CE2 3.57Å; Y146-F192 HydrophobicContact CD2-CZ 4.22Å; Y146-F192 HydrophobicContact CE1-CD2 4.24Å; Y146-F192 AromaticContact CE1-CE2 3.71Å; Y146-F192 HydrophobicContact CE1-CE2 3.71Å; Y146-F192 AromaticContact CE2-CE2 3.81Å; Y146-F192 HydrophobicContact CE2-CE2 3.81Å; Y146-F192 HydrophobicContact CE2-CZ 4.34Å; Y146-F192 AromaticContact CG-CD2 3.91Å; Y146-F192 HydrophobicContact CG-CD2 3.91Å; Y146-F192 AromaticContact CG-CE2 3.39Å; Y146-F192 HydrophobicContact CG-CE2 3.39Å; Y146-F192 HydrophobicContact CG-CZ 4.41Å; Y146-F192 AromaticContact CZ-CE2 3.89Å; V151-F192 HydrophobicContact CG2-CB 4.42Å; V151-F192 HydrophobicContact CG2-CD2 4.11Å; V185-F192 HydrophobicContact CG1-CB 4.33Å; V185-F192 WeakPolarHBondContact O-CB 3.44Å; V185-F192 PolarHBondContact O-N 3.48Å; F192-R194 PolarHBondContact O-N 3.23Å; F192-I195 HydrophobicContact CD2-CD1 3.7Å; F192-I195 HydrophobicContact CE2-CD1 3.91Å; F192-I195 HydrophobicContact CG-CD1 4.34Å; F192-I195 WeakPolarHBondContact O-CB 3.43Å; F192-I195 WeakPolarHBondContact O-CG1 3.45Å; F192-I195 PolarHBondContact O-N 3Å; F192-F196 HydrophobicContact CD1-CE2 4.06Å; F192-F196 AromaticContact CD1-CZ 3.94Å; F192-F196 HydrophobicContact CD1-CZ 3.94Å; F192-F196 HydrophobicContact CE1-CE2 4.23Å; F192-F196 AromaticContact CE1-CZ 3.67Å; F192-F196 HydrophobicContact CE1-CZ 3.67Å; F192-F196 HydrophobicContact CZ-CZ 4.38Å
193	G	98.4	Very high	98.4	Very high	40 Å²	40	59.5 Å²	59.5	41%	0.412	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-23.7	176.8	0	0	0	0	0	114.5	H191 I195 F196 Y197	H191-G193 PolarHBondContact O-N 3.02Å; H191-G193 VanDerWaalsContact O-N 3.07Å; G193-I195 PolarHBondContact O-N 3.19Å; G193-F196 PolarHBondContact O-N 3.32Å; G193-Y197 PolarHBondContact O-N 3.05Å
194	R	98.8	Very high	98.4	Very high	73 Å²	73	60.6 Å²	60.6	28%	0.275	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-24.8	178.2	-170.2	62.7	-176.1	-165.1	-2	112.7	L155 R189 H191 F192 F196 Y197 N198	L155-R194 HydrophobicContact CD1-CB 3.92Å; L155-R194 HydrophobicContact CD1-CG 4.01Å; L155-R194 HydrophobicContact CD2-CB 3.68Å; L155-R194 HydrophobicContact CD2-CG 3.72Å; L155-R194 HydrophobicContact CG-CB 4.48Å; R189-R194 WeakPolarHBondContact O-CB 3.32Å; R189-R194 WeakPolarHBondContact O-CD 3.36Å; H191-R194 WeakPolarHBondContact O-CB 3.31Å; H191-R194 PolarHBondContact O-N 3.46Å; F192-R194 PolarHBondContact O-N 3.23Å; R194-F196 VanDerWaalsContact C-N 3.31Å; R194-F196 PolarHBondContact O-N 2.89Å; R194-Y197 VanDerWaalsContact NH1-CE1 3.32Å; R194-Y197 VanDerWaalsContact NH2-CE1 3.32Å; R194-Y197 PolarHBondContact O-N 3.24Å; R194-N198 PolarHBondContact NE-OD1 3.37Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 VanDerWaalsContact O-CG 3.22Å; R194-N198 PolarHBondContact O-N 2.75Å; R194-N198 PolarHBondContact O-ND2 2.92Å
195	I	98.8	Very high	98.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-47.2	175.3	-65.4	162.3	0	0	0	109.8	Y146 H154 L155 Q158 F192 G193 N198 Q199 V224	Y146-I195 HydrophobicContact CE1-CD1 4.06Å; H154-I195 HydrophobicContact CB-CD1 4.19Å; H154-I195 HydrophobicContact CB-CG1 4.38Å; H154-I195 VanDerWaalsContact CE1-CG2 3.48Å; H154-I195 WeakPolarHBondContact CE1-CG2 3.32Å; H154-I195 VanDerWaalsContact ND1-CD1 3.31Å; H154-I195 WeakPolarHBondContact ND1-CD1 3.43Å; L155-I195 HydrophobicContact CD2-CB 4.47Å; L155-I195 HydrophobicContact CD2-CG1 3.71Å; L155-I195 HydrophobicContact CG-CG1 4.47Å; Q158-I195 PolarHBondContact NE2-O 3.04Å; F192-I195 HydrophobicContact CD2-CD1 3.7Å; F192-I195 HydrophobicContact CE2-CD1 3.91Å; F192-I195 HydrophobicContact CG-CD1 4.34Å; F192-I195 WeakPolarHBondContact O-CB 3.43Å; F192-I195 WeakPolarHBondContact O-CG1 3.45Å; F192-I195 PolarHBondContact O-N 3Å; G193-I195 PolarHBondContact O-N 3.19Å; I195-N198 PolarHBondContact O-N 3.12Å; I195-Q199 WeakPolarHBondContact O-CB 3.45Å; I195-Q199 PolarHBondContact O-N 3.07Å; I195-V224 HydrophobicContact CG2-CG2 4.29Å
196	F	98.6	Very high	98.4	Very high	23 Å²	23	62.7 Å²	62.7	10%	0.101	34%	0.336	C	S	.	.	H	α-helix	trans	-70.9	-41.2	-178.4	-47.2	-46.4	0	0	0	111.9	F192 G193 R194 N198 Q199 A200 G220 Y223 V224 M227	F192-F196 HydrophobicContact CD1-CE2 4.06Å; F192-F196 AromaticContact CD1-CZ 3.94Å; F192-F196 HydrophobicContact CD1-CZ 3.94Å; F192-F196 HydrophobicContact CE1-CE2 4.23Å; F192-F196 AromaticContact CE1-CZ 3.67Å; F192-F196 HydrophobicContact CE1-CZ 3.67Å; F192-F196 HydrophobicContact CZ-CZ 4.38Å; G193-F196 PolarHBondContact O-N 3.32Å; R194-F196 VanDerWaalsContact C-N 3.31Å; R194-F196 PolarHBondContact O-N 2.89Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.39Å; F196-Q199 PolarHBondContact O-N 3.14Å; F196-A200 PolarHBondContact O-N 2.83Å; F196-G220 WeakPolarHBondContact CE1-O 3.15Å; F196-G220 WeakPolarHBondContact CZ-O 3.28Å; F196-Y223 VanDerWaalsContact CD1-CB 3.45Å; F196-Y223 HydrophobicContact CD2-CD2 4.28Å; F196-Y223 HydrophobicContact CE2-CD2 4.19Å; F196-Y223 HydrophobicContact CZ-CD2 4.48Å; F196-V224 HydrophobicContact CE1-CG2 3.86Å; F196-M227 HydrophobicContact CB-CE 4.09Å; F196-M227 HydrophobicContact CB-SD 3.71Å; F196-M227 HydrophobicContact CG-SD 4.32Å; F196-M227 VanDerWaalsContact O-CE 3.28Å; F196-M227 WeakPolarHBondContact O-CE 3.47Å
197	Y	98.8	Very high	98.4	Very high	119 Å²	119	56 Å²	56	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-56.4	-50.3	173.1	171.4	-88	0	0	0	110.9	G193 R194 A200 R201	G193-Y197 PolarHBondContact O-N 3.05Å; R194-Y197 VanDerWaalsContact NH1-CE1 3.32Å; R194-Y197 VanDerWaalsContact NH2-CE1 3.32Å; R194-Y197 PolarHBondContact O-N 3.24Å; Y197-A200 PolarHBondContact O-N 2.86Å; Y197-R201 HydrophobicContact CD1-CG 4.24Å; Y197-R201 HydrophobicContact CE1-CG 3.78Å; Y197-R201 HydrophobicContact CE2-CG 4.21Å; Y197-R201 WeakPolarHBondContact O-CB 3.35Å; Y197-R201 VanDerWaalsContact O-CG 3.28Å; Y197-R201 WeakPolarHBondContact O-CG 3.47Å; Y197-R201 PolarHBondContact O-N 2.98Å
198	N	98.9	Very high	98.5	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-43.1	179.5	-73	-11.9	0	0	0	111.1	Q158 R194 I195 F196 A200 R201 L202	Q158-N198 HydrophobicContact CB-CB 4.28Å; Q158-N198 HydrophobicContact CG-CB 4.5Å; Q158-N198 PolarHBondContact OE1-ND2 3.2Å; R194-N198 PolarHBondContact NE-OD1 3.37Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 VanDerWaalsContact O-CG 3.22Å; R194-N198 PolarHBondContact O-N 2.75Å; R194-N198 PolarHBondContact O-ND2 2.92Å; I195-N198 PolarHBondContact O-N 3.12Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.39Å; N198-A200 PolarHBondContact O-N 2.89Å; N198-R201 PolarHBondContact O-N 2.84Å; N198-L202 WeakPolarHBondContact O-CB 3.34Å; N198-L202 WeakPolarHBondContact O-CG 3.07Å; N198-L202 PolarHBondContact O-N 2.85Å
199	Q	98.8	Very high	98.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-46.8	179.1	-171.8	171.8	-32.6	0	0	111.9	I195 F196 R201 L202 S203 Q209 V224 M227 A228	I195-Q199 WeakPolarHBondContact O-CB 3.45Å; I195-Q199 PolarHBondContact O-N 3.07Å; F196-Q199 PolarHBondContact O-N 3.14Å; Q199-R201 PolarHBondContact O-N 3.14Å; Q199-L202 PolarHBondContact O-N 2.86Å; Q199-S203 WeakPolarHBondContact O-CB 3.43Å; Q199-S203 PolarHBondContact O-N 3.1Å; Q199-Q209 HydrophobicContact CG-CB 4.1Å; Q199-Q209 HydrophobicContact CG-CG 3.82Å; Q199-V224 PolarHBondContact NE2-O 2.71Å; Q199-M227 PolarHBondContact NE2-O 2.77Å; Q199-A228 VanDerWaalsContact NE2-CA 3.35Å
200	A	98.8	Very high	98.5	Very high	45 Å²	45	39.3 Å²	39.3	37%	0.372	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-41.4	174.9	0	0	0	0	0	112.4	F196 Y197 N198 S204 M227	F196-A200 PolarHBondContact O-N 2.83Å; Y197-A200 PolarHBondContact O-N 2.86Å; N198-A200 PolarHBondContact O-N 2.89Å; A200-S204 WeakPolarHBondContact O-CB 3.41Å; A200-S204 PolarHBondContact O-N 2.99Å; A200-M227 HydrophobicContact CB-CE 3.71Å
201	R	98.8	Very high	98.6	Very high	104 Å²	104	36 Å²	36	39%	0.392	21%	0.21	S	C	.	.	H	α-helix	trans	-66	-45.2	178	-72.7	-64	-54	159.5	9.3	112.1	Y197 N198 Q199 S204 E205	Y197-R201 HydrophobicContact CD1-CG 4.24Å; Y197-R201 HydrophobicContact CE1-CG 3.78Å; Y197-R201 HydrophobicContact CE2-CG 4.21Å; Y197-R201 WeakPolarHBondContact O-CB 3.35Å; Y197-R201 VanDerWaalsContact O-CG 3.28Å; Y197-R201 WeakPolarHBondContact O-CG 3.47Å; Y197-R201 PolarHBondContact O-N 2.98Å; N198-R201 PolarHBondContact O-N 2.84Å; Q199-R201 PolarHBondContact O-N 3.14Å; R201-S204 PolarHBondContact O-N 2.92Å; R201-S204 PolarHBondContact O-OG 2.92Å; R201-E205 IonicContact CZ-OE1 3.58Å; R201-E205 IonicContact NE-OE1 2.68Å; R201-E205 IonicContact NH2-OE1 3.66Å; R201-E205 PolarHBondContact NH2-OE1 3.39Å; R201-E205 WeakPolarHBondContact O-CG 3.44Å; R201-E205 PolarHBondContact O-N 3.08Å
202	L	98.8	Very high	98.6	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-49.2	177	-73.9	171.3	0	0	0	111.5	Q158 Q162 N198 Q199 S204 E205 G206 I207 Q209	Q158-L202 HydrophobicContact CB-CD1 4.28Å; Q158-L202 HydrophobicContact CG-CD1 4.35Å; Q162-L202 HydrophobicContact CB-CD2 3.57Å; Q162-L202 HydrophobicContact CG-CD2 3.84Å; N198-L202 WeakPolarHBondContact O-CB 3.34Å; N198-L202 WeakPolarHBondContact O-CG 3.07Å; N198-L202 PolarHBondContact O-N 2.85Å; Q199-L202 PolarHBondContact O-N 2.86Å; L202-S204 VanDerWaalsContact C-N 3.32Å; L202-S204 PolarHBondContact O-N 3.29Å; L202-E205 CarbonylContact O-C 3.55Å; L202-E205 WeakPolarHBondContact O-CA 3.47Å; L202-E205 PolarHBondContact O-N 3.46Å; L202-G206 PolarHBondContact O-N 3.42Å; L202-I207 CarbonylContact C-O 3.46Å; L202-I207 HydrophobicContact CB-CB 4.24Å; L202-I207 HydrophobicContact CD2-CB 4.26Å; L202-I207 HydrophobicContact CD2-CD1 3.61Å; L202-I207 HydrophobicContact CD2-CG2 4.28Å; L202-I207 WeakPolarHBondContact O-CB 3.39Å; L202-I207 PolarHBondContact O-N 3.16Å; L202-Q209 HydrophobicContact CB-CG 4.46Å
203	S	98.7	Very high	98.6	Very high	42 Å²	42	33.8 Å²	33.8	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-56.8	-45.8	174.2	172.3	0	0	0	0	111.1	Q199 E205 G206 D229	Q199-S203 WeakPolarHBondContact O-CB 3.43Å; Q199-S203 PolarHBondContact O-N 3.1Å; S203-E205 PolarHBondContact O-N 3.29Å; S203-G206 WeakPolarHBondContact O-CA 3.31Å; S203-G206 PolarHBondContact O-N 2.81Å; S203-D229 WeakPolarHBondContact CB-OD1 3.42Å; S203-D229 PolarHBondContact OG-OD1 3.38Å
204	S	98.4	Very high	98.6	Very high	77 Å²	77	31.9 Å²	31.9	54%	0.538	18%	0.18	S	C	.	.	H	α-helix	trans	-63	-23.8	176.4	80.3	0	0	0	0	114.6	A200 R201 L202 G206	A200-S204 WeakPolarHBondContact O-CB 3.41Å; A200-S204 PolarHBondContact O-N 2.99Å; R201-S204 PolarHBondContact O-N 2.92Å; R201-S204 PolarHBondContact O-OG 2.92Å; L202-S204 VanDerWaalsContact C-N 3.32Å; L202-S204 PolarHBondContact O-N 3.29Å; S204-G206 VanDerWaalsContact C-N 3.28Å
205	E	97.7	Very high	98.5	Very high	72 Å²	72	28.5 Å²	28.5	34%	0.336	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.5	175.8	-72	166.4	-163.2	0	0	111.8	Q162 R201 L202 S203 I207	Q162-E205 PolarHBondContact NE2-OE2 2.93Å; Q162-E205 VanDerWaalsContact NE2-OE2 3.16Å; R201-E205 IonicContact CZ-OE1 3.58Å; R201-E205 IonicContact NE-OE1 2.68Å; R201-E205 IonicContact NH2-OE1 3.66Å; R201-E205 PolarHBondContact NH2-OE1 3.39Å; R201-E205 WeakPolarHBondContact O-CG 3.44Å; R201-E205 PolarHBondContact O-N 3.08Å; L202-E205 CarbonylContact O-C 3.55Å; L202-E205 WeakPolarHBondContact O-CA 3.47Å; L202-E205 PolarHBondContact O-N 3.46Å; S203-E205 PolarHBondContact O-N 3.29Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-I207 HydrophobicContact CB-CD1 4.49Å
206	G	97.3	Very high	98.4	Very high	71 Å²	71	30.5 Å²	30.5	73%	0.732	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	14.8	-178.9	0	0	0	0	0	114.1	L202 S203 S204	L202-G206 PolarHBondContact O-N 3.42Å; S203-G206 WeakPolarHBondContact O-CA 3.31Å; S203-G206 PolarHBondContact O-N 2.81Å; S204-G206 VanDerWaalsContact C-N 3.28Å
207	I	98.6	Very high	98.2	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.036	18%	0.177	C	C	.	.			trans	-92.6	105.1	176.9	-59	169.9	0	0	0	108.1	L166 L202 E205 Q209	L166-I207 WeakPolarHBondContact O-CG2 3.24Å; L202-I207 CarbonylContact C-O 3.46Å; L202-I207 HydrophobicContact CB-CB 4.24Å; L202-I207 HydrophobicContact CD2-CB 4.26Å; L202-I207 HydrophobicContact CD2-CD1 3.61Å; L202-I207 HydrophobicContact CD2-CG2 4.28Å; L202-I207 WeakPolarHBondContact O-CB 3.39Å; L202-I207 PolarHBondContact O-N 3.16Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-I207 HydrophobicContact CB-CD1 4.49Å; I207-Q209 PolarHBondContact O-N 3.5Å; I207-Q209 PolarHBondContact O-NE2 3.34Å
208	A	98.7	Very high	97.8	Very high	14 Å²	14	25 Å²	25	12%	0.116	16%	0.162	C	C	.	.			trans	-57.9	135.6	-172.1	0	0	0	0	0	113.3	P167 C168 D229 L295	P167-A208 WeakPolarHBondContact CA-O 3.47Å; P167-A208 HydrophobicContact CB-CB 4.27Å; C168-A208 PolarHBondContact N-O 3Å; A208-D229 VanDerWaalsContact CA-OD2 3.27Å; A208-D229 WeakPolarHBondContact CA-OD2 3.47Å; A208-L295 HydrophobicContact CB-CD1 3.9Å; A208-L295 HydrophobicContact CB-CD2 3.51Å; A208-L295 HydrophobicContact CB-CG 4.34Å
209	Q	98.9	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.1	178.4	-54.9	-58.9	-70.7	0	0	109.4	Y170 Q199 L202 I207 D229 E230	Y170-Q209 HydrophobicContact CE2-CB 4.49Å; Y170-Q209 PolarHBondContact OH-OE1 3.05Å; Q199-Q209 HydrophobicContact CG-CB 4.1Å; Q199-Q209 HydrophobicContact CG-CG 3.82Å; L202-Q209 HydrophobicContact CB-CG 4.46Å; I207-Q209 PolarHBondContact O-N 3.5Å; I207-Q209 PolarHBondContact O-NE2 3.34Å; Q209-D229 PolarHBondContact N-OD2 3.18Å; Q209-D229 PolarHBondContact O-N 2.74Å; Q209-E230 PolarHBondContact O-N 2.88Å
210	I	98.9	Very high	96.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.3	-177.5	-56.9	166.2	0	0	0	108.7	C168 I169 Y170 E230 I232 T291 V292	C168-I210 PolarHBondContact O-N 2.82Å; I169-I210 CarbonylContact C-O 3.54Å; I169-I210 WeakPolarHBondContact CA-O 3.48Å; I169-I210 HydrophobicContact CG1-CB 4.44Å; I169-I210 HydrophobicContact CG1-CD1 4.33Å; Y170-I210 WeakPolarHBondContact CD2-O 3.43Å; Y170-I210 PolarHBondContact N-O 2.85Å; I210-E230 WeakPolarHBondContact CA-O 3.32Å; I210-I232 HydrophobicContact CG2-CD1 4.5Å; I210-T291 HydrophobicContact CD1-CG2 3.61Å; I210-T291 HydrophobicContact CG1-CG2 3.78Å; I210-T291 HydrophobicContact CG2-CG2 4.21Å; I210-V292 HydrophobicContact CD1-CG2 3.59Å
211	A	98.9	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.6	176.4	0	0	0	0	0	111.9	P225 A228 E230 S231 I232	A211-P225 HydrophobicContact CB-CB 3.99Å; A211-A228 HydrophobicContact CB-CB 3.64Å; A211-E230 PolarHBondContact N-O 3.2Å; A211-S231 WeakPolarHBondContact O-CA 3.49Å; A211-I232 PolarHBondContact O-N 2.96Å
212	V	98.9	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	102.2	177	-165.7	0	0	0	0	108	I169 Y170 L171 V172 M214 I232 A284 A288	I169-V212 HydrophobicContact CG2-CG2 4.31Å; Y170-V212 PolarHBondContact O-N 3.01Å; L171-V212 HydrophobicContact CD2-CB 3.77Å; L171-V212 HydrophobicContact CD2-CG1 4.39Å; L171-V212 HydrophobicContact CD2-CG2 3.76Å; V172-V212 PolarHBondContact N-O 2.79Å; V212-M214 HydrophobicContact CB-CG 4.32Å; V212-M214 HydrophobicContact CB-SD 4.46Å; V212-M214 HydrophobicContact CG1-CG 3.66Å; V212-M214 HydrophobicContact CG1-SD 3.9Å; V212-M214 PolarHBondContact O-N 3.44Å; V212-I232 CarbonylContact C-O 3.46Å; V212-I232 WeakPolarHBondContact CA-O 3.18Å; V212-I232 HydrophobicContact CG1-CB 4.29Å; V212-I232 HydrophobicContact CG1-CG2 4.26Å; V212-I232 HydrophobicContact CG2-CD1 4.13Å; V212-A284 HydrophobicContact CG1-CB 3.72Å; V212-A288 HydrophobicContact CG2-CB 3.86Å
213	V	98.8	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	102.2	-178.5	-175.4	0	0	0	0	109.4	V172 G215 C217 P225 I232 I233 V234 I240	V172-V213 HydrophobicContact CB-CG2 4.46Å; V213-G215 WeakPolarHBondContact CG1-O 3.2Å; V213-C217 HydrophobicContact CG1-CB 4.1Å; V213-P225 HydrophobicContact CG2-CB 3.56Å; V213-P225 HydrophobicContact CG2-CG 3.76Å; V213-I232 PolarHBondContact N-O 2.84Å; V213-I233 HydrophobicContact CB-CB 4.29Å; V213-I233 HydrophobicContact CB-CD1 4.45Å; V213-I233 HydrophobicContact CB-CG1 4.07Å; V213-I233 HydrophobicContact CG1-CD1 4.3Å; V213-I233 HydrophobicContact CG1-CG1 4.23Å; V213-V234 PolarHBondContact O-N 3.03Å; V213-I240 HydrophobicContact CG1-CG1 4.08Å; V213-I240 HydrophobicContact CG2-CD1 4Å; V213-I240 HydrophobicContact CG2-CG1 4.22Å
214	M	98.4	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	17	-173.6	-49.5	179	84.4	0	0	111.7	K81 R87 L171 V172 V212 V234 Q237 D281 A284 L285	K81-M214 WeakPolarHBondContact CE-O 3.43Å; K81-M214 PolarHBondContact NZ-O 3.32Å; R87-M214 VanDerWaalsContact CD-SD 3.59Å; R87-M214 HydrophobicContact CG-CE 3.88Å; R87-M214 HydrophobicContact CG-SD 4.23Å; R87-M214 PolarHBondContact NH2-O 3.16Å; L171-M214 HydrophobicContact CB-SD 4.25Å; L171-M214 HydrophobicContact CD2-SD 4.16Å; V172-M214 PolarHBondContact O-N 3.4Å; V212-M214 HydrophobicContact CB-CG 4.32Å; V212-M214 HydrophobicContact CB-SD 4.46Å; V212-M214 HydrophobicContact CG1-CG 3.66Å; V212-M214 HydrophobicContact CG1-SD 3.9Å; V212-M214 PolarHBondContact O-N 3.44Å; M214-V234 HydrophobicContact CB-CG2 4.43Å; M214-V234 HydrophobicContact CG-CG2 4.27Å; M214-Q237 PolarHBondContact O-NE2 3.34Å; M214-D281 HydrophobicContact CE-CB 3.5Å; M214-A284 HydrophobicContact CE-CB 4.45Å; M214-L285 HydrophobicContact CE-CD1 4.49Å; M214-L285 HydrophobicContact CE-CD2 4.14Å; M214-L285 HydrophobicContact CE-CG 4.1Å; M214-L285 HydrophobicContact SD-CD2 4.4Å
215	G	97.3	Very high	96.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	-149.6	178.3	0	0	0	0	0	111.8	D173 V213 Q237 G238 T239	D173-G215 WeakPolarHBondContact OD1-CA 3.48Å; V213-G215 WeakPolarHBondContact CG1-O 3.2Å; G215-Q237 WeakPolarHBondContact CA-O 3.48Å; G215-G238 WeakPolarHBondContact O-CA 3.45Å; G215-T239 PolarHBondContact O-N 2.89Å
216	S	94.9	Very high	96.3	Very high	42 Å²	42	19.5 Å²	19.5	29%	0.294	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.6	-179.5	-168.7	0	0	0	0	111.3	S174	S174-S216 CarbonylContact C-O 3.57Å; S174-S216 PolarHBondContact N-O 2.84Å; S174-S216 CarbonylContact O-C 3.48Å
217	C	95.4	Very high	96.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	84.7	176.1	-170.1	0	0	0	0	108.5	V172 V213 G221 A222 P225 T239 I240 F241	V172-C217 HydrophobicContact CG1-CB 4.04Å; V213-C217 HydrophobicContact CG1-CB 4.1Å; C217-G221 PolarHBondContact SG-O 2.93Å; C217-A222 VanDerWaalsContact SG-CA 3.58Å; C217-P225 VanDerWaalsContact SG-CD 3.6Å; C217-T239 WeakPolarHBondContact CA-O 3.15Å; C217-T239 VanDerWaalsContact CB-O 3.22Å; C217-T239 WeakPolarHBondContact CB-O 3.39Å; C217-T239 PolarHBondContact N-O 3.11Å; C217-I240 HydrophobicContact CB-CG1 4.18Å; C217-I240 WeakPolarHBondContact O-CA 3.33Å; C217-F241 PolarHBondContact O-N 2.76Å; C217-F241 VanDerWaalsContact O-N 3.16Å
218	T	91.1	Very high	96.4	Very high	26 Å²	26	19.7 Å²	19.7	16%	0.16	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	152.7	-169	-173.5	0	0	0	0	113.4	G175 G220 G221 F241	G175-T218 WeakPolarHBondContact O-CG2 3.44Å; T218-G220 PolarHBondContact O-N 2.84Å; T218-G221 PolarHBondContact O-N 3.26Å; T218-G221 VanDerWaalsContact O-N 3.09Å; T218-F241 CarbonylContact C-O 3.44Å; T218-F241 WeakPolarHBondContact CA-O 3.33Å; T218-F241 VanDerWaalsContact CB-CE2 3.49Å; T218-F241 WeakPolarHBondContact OG1-CD2 3.48Å; T218-F241 VanDerWaalsContact OG1-CE2 3.26Å; T218-F241 WeakPolarHBondContact OG1-CE2 3.37Å
219	A	90.9	Very high	96.4	Very high	42 Å²	42	22.4 Å²	22.4	35%	0.347	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	55.2	-129.2	174.3	0	0	0	0	0	112.1	G221 A222 F241 L242	A219-G221 PolarHBondContact O-N 2.87Å; A219-G221 VanDerWaalsContact O-N 3.14Å; A219-A222 WeakPolarHBondContact O-CB 2.94Å; A219-A222 PolarHBondContact O-N 2.95Å; A219-F241 PolarHBondContact N-O 3.29Å; A219-L242 VanDerWaalsContact CA-O 3.23Å; A219-L242 WeakPolarHBondContact CA-O 3.34Å
220	G	85.2	Confident	96.3	Very high	26 Å²	26	25.1 Å²	25.1	27%	0.268	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-55.4	-33.4	178.4	0	0	0	0	0	112.6	F196 T218 A222 Y223	F196-G220 WeakPolarHBondContact CE1-O 3.15Å; F196-G220 WeakPolarHBondContact CZ-O 3.28Å; T218-G220 PolarHBondContact O-N 2.84Å; G220-A222 PolarHBondContact O-N 3Å; G220-A222 VanDerWaalsContact O-N 3.12Å; G220-Y223 PolarHBondContact O-N 2.99Å; G220-Y223 VanDerWaalsContact O-N 3.11Å
221	G	91.3	Very high	96.3	Very high	9 Å²	9	25.1 Å²	25.1	9%	0.093	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-59.5	-26.3	-179.8	0	0	0	0	0	113.5	C217 T218 A219 Y223 V224 P225	C217-G221 PolarHBondContact SG-O 2.93Å; T218-G221 PolarHBondContact O-N 3.26Å; T218-G221 VanDerWaalsContact O-N 3.09Å; A219-G221 PolarHBondContact O-N 2.87Å; A219-G221 VanDerWaalsContact O-N 3.14Å; G221-Y223 PolarHBondContact O-N 3.09Å; G221-Y223 VanDerWaalsContact O-N 3.1Å; G221-V224 PolarHBondContact O-N 3.18Å; G221-P225 WeakPolarHBondContact O-CD 3.48Å
222	A	96.1	Very high	96.3	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.033	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.9	-23.2	177.2	0	0	0	0	0	113.5	C217 A219 G220 V224 P225 A226 I240 L242	C217-A222 VanDerWaalsContact SG-CA 3.58Å; A219-A222 WeakPolarHBondContact O-CB 2.94Å; A219-A222 PolarHBondContact O-N 2.95Å; G220-A222 PolarHBondContact O-N 3Å; G220-A222 VanDerWaalsContact O-N 3.12Å; A222-V224 VanDerWaalsContact C-N 3.33Å; A222-P225 VanDerWaalsContact O-CD 3.3Å; A222-P225 WeakPolarHBondContact O-CD 3.23Å; A222-P225 WeakPolarHBondContact O-CG 3.32Å; A222-A226 WeakPolarHBondContact O-CB 3.31Å; A222-A226 PolarHBondContact O-N 3.3Å; A222-I240 HydrophobicContact CB-CG2 3.63Å; A222-L242 HydrophobicContact CB-CD2 4.33Å
223	Y	98	Very high	96.3	Very high	104 Å²	104	25.1 Å²	25.1	41%	0.408	15%	0.153	S	C	.	.	H	α-helix	trans	-74.5	-18.8	176.4	-69	-51.7	0	0	0	114	F196 G220 G221 A226 M227 L242	F196-Y223 VanDerWaalsContact CD1-CB 3.45Å; F196-Y223 HydrophobicContact CD2-CD2 4.28Å; F196-Y223 HydrophobicContact CE2-CD2 4.19Å; F196-Y223 HydrophobicContact CZ-CD2 4.48Å; G220-Y223 PolarHBondContact O-N 2.99Å; G220-Y223 VanDerWaalsContact O-N 3.11Å; G221-Y223 PolarHBondContact O-N 3.09Å; G221-Y223 VanDerWaalsContact O-N 3.1Å; Y223-A226 PolarHBondContact O-N 3.48Å; Y223-M227 VanDerWaalsContact O-CB 3.27Å; Y223-M227 WeakPolarHBondContact O-CB 3.45Å; Y223-M227 WeakPolarHBondContact O-CG 3.41Å; Y223-M227 PolarHBondContact O-N 2.74Å; Y223-L242 HydrophobicContact CE1-CD2 4.4Å; Y223-L242 HydrophobicContact CE2-CD2 4.28Å
224	V	98.3	Very high	96.3	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-54.8	174.2	179	0	0	0	0	110.8	Y170 V172 I195 F196 Q199 G221 A222 A228	Y170-V224 HydrophobicContact CD1-CG1 4.45Å; Y170-V224 HydrophobicContact CD2-CG1 4.2Å; Y170-V224 HydrophobicContact CG-CG1 3.93Å; V172-V224 HydrophobicContact CG2-CB 4.36Å; V172-V224 HydrophobicContact CG2-CG1 3.71Å; I195-V224 HydrophobicContact CG2-CG2 4.29Å; F196-V224 HydrophobicContact CE1-CG2 3.86Å; Q199-V224 PolarHBondContact NE2-O 2.71Å; G221-V224 PolarHBondContact O-N 3.18Å; A222-V224 VanDerWaalsContact C-N 3.33Å; V224-A228 PolarHBondContact O-N 2.76Å
225	P	98.3	Very high	96.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-71.7	-38.3	173.7	26.9	-34.2	0	0	0	113.3	A211 V213 C217 G221 A222 M227 A228 S231 I240	A211-P225 HydrophobicContact CB-CB 3.99Å; V213-P225 HydrophobicContact CG2-CB 3.56Å; V213-P225 HydrophobicContact CG2-CG 3.76Å; C217-P225 VanDerWaalsContact SG-CD 3.6Å; G221-P225 WeakPolarHBondContact O-CD 3.48Å; A222-P225 VanDerWaalsContact O-CD 3.3Å; A222-P225 WeakPolarHBondContact O-CD 3.23Å; A222-P225 WeakPolarHBondContact O-CG 3.32Å; P225-M227 PolarHBondContact O-N 2.95Å; P225-A228 PolarHBondContact O-N 3.48Å; P225-A228 VanDerWaalsContact O-N 3.16Å; P225-S231 VanDerWaalsContact C-OG 3.32Å; P225-S231 WeakPolarHBondContact CA-OG 3.39Å; P225-S231 WeakPolarHBondContact CB-OG 3.37Å; P225-S231 PolarHBondContact O-OG 3.18Å; P225-I240 HydrophobicContact CB-CD1 3.94Å; P225-I240 HydrophobicContact CG-CD1 3.69Å; P225-I240 HydrophobicContact CG-CG1 4.04Å; P225-I240 HydrophobicContact CG-CG2 4.26Å
226	A	98.4	Very high	96.3	Very high	54 Å²	54	37 Å²	37	45%	0.446	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-19.1	-175.8	0	0	0	0	0	114.3	A222 Y223 V273	A222-A226 WeakPolarHBondContact O-CB 3.31Å; A222-A226 PolarHBondContact O-N 3.3Å; Y223-A226 PolarHBondContact O-N 3.48Å; A226-V273 HydrophobicContact CB-CG1 4.27Å
227	M	98.4	Very high	96.4	Very high	66 Å²	66	37 Å²	37	33%	0.325	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7.6	176.6	-61.9	179.4	57.7	0	0	113	F196 Q199 A200 Y223 P225	F196-M227 HydrophobicContact CB-CE 4.09Å; F196-M227 HydrophobicContact CB-SD 3.71Å; F196-M227 HydrophobicContact CG-SD 4.32Å; F196-M227 VanDerWaalsContact O-CE 3.28Å; F196-M227 WeakPolarHBondContact O-CE 3.47Å; Q199-M227 PolarHBondContact NE2-O 2.77Å; A200-M227 HydrophobicContact CB-CE 3.71Å; Y223-M227 VanDerWaalsContact O-CB 3.27Å; Y223-M227 WeakPolarHBondContact O-CB 3.45Å; Y223-M227 WeakPolarHBondContact O-CG 3.41Å; Y223-M227 PolarHBondContact O-N 2.74Å; P225-M227 PolarHBondContact O-N 2.95Å
228	A	98.6	Very high	96.5	Very high	17 Å²	17	37 Å²	37	14%	0.14	20%	0.197	C	C	.	.	S	Bend	trans	-77.9	152.7	175.7	0	0	0	0	0	109.4	Q199 A211 V224 P225 E230	Q199-A228 VanDerWaalsContact NE2-CA 3.35Å; A211-A228 HydrophobicContact CB-CB 3.64Å; V224-A228 PolarHBondContact O-N 2.76Å; P225-A228 PolarHBondContact O-N 3.48Å; P225-A228 VanDerWaalsContact O-N 3.16Å; A228-E230 VanDerWaalsContact C-N 3.32Å
229	D	98.7	Very high	96.8	Very high	71 Å²	71	36.4 Å²	36.4	38%	0.38	19%	0.194	S	C	.	.	S	Bend	trans	-68	-37.7	176.4	-57	-36.1	0	0	0	110.6	S203 A208 Q209	S203-D229 WeakPolarHBondContact CB-OD1 3.42Å; S203-D229 PolarHBondContact OG-OD1 3.38Å; A208-D229 VanDerWaalsContact CA-OD2 3.27Å; A208-D229 WeakPolarHBondContact CA-OD2 3.47Å; Q209-D229 PolarHBondContact N-OD2 3.18Å; Q209-D229 PolarHBondContact O-N 2.74Å
230	E	98.8	Very high	97.2	Very high	57 Å²	57	34.8 Å²	34.8	27%	0.266	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.7	170.8	-67.1	-169.9	-118.9	0	0	110.9	Q209 I210 A211 A228 H276 T291	Q209-E230 PolarHBondContact O-N 2.88Å; I210-E230 WeakPolarHBondContact CA-O 3.32Å; A211-E230 PolarHBondContact N-O 3.2Å; A228-E230 VanDerWaalsContact C-N 3.32Å; E230-H276 IonicContact OE2-CD2 2.76Å; E230-H276 IonicContact OE2-CE1 3.65Å; E230-H276 IonicContact OE2-NE2 2.65Å; E230-H276 PolarHBondContact OE2-NE2 3.1Å; E230-T291 HydrophobicContact CB-CG2 3.94Å; E230-T291 HydrophobicContact CG-CG2 4.21Å; E230-T291 WeakPolarHBondContact OE1-CG2 3.5Å
231	S	98.8	Very high	97.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127	-175.3	-94.9	0	0	0	0	112.4	A211 P225 D275 H276	A211-S231 WeakPolarHBondContact O-CA 3.49Å; P225-S231 VanDerWaalsContact C-OG 3.32Å; P225-S231 WeakPolarHBondContact CA-OG 3.39Å; P225-S231 WeakPolarHBondContact CB-OG 3.37Å; P225-S231 PolarHBondContact O-OG 3.18Å; S231-D275 PolarHBondContact N-OD2 3.04Å; S231-D275 PolarHBondContact O-N 2.88Å; S231-H276 PolarHBondContact O-N 2.98Å
232	I	98.9	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.9	177.9	-60.2	150.1	0	0	0	108.6	I210 A211 V212 V213 H276 A278 A284 L287 A288	I210-I232 HydrophobicContact CG2-CD1 4.5Å; A211-I232 PolarHBondContact O-N 2.96Å; V212-I232 CarbonylContact C-O 3.46Å; V212-I232 WeakPolarHBondContact CA-O 3.18Å; V212-I232 HydrophobicContact CG1-CB 4.29Å; V212-I232 HydrophobicContact CG1-CG2 4.26Å; V212-I232 HydrophobicContact CG2-CD1 4.13Å; V213-I232 PolarHBondContact N-O 2.84Å; I232-H276 WeakPolarHBondContact CA-O 3.33Å; I232-H276 HydrophobicContact CB-CB 4.26Å; I232-H276 HydrophobicContact CG1-CB 3.72Å; I232-H276 HydrophobicContact CG2-CB 4.34Å; I232-A278 HydrophobicContact CG2-CB 3.94Å; I232-A284 HydrophobicContact CG2-CB 3.93Å; I232-L287 HydrophobicContact CD1-CB 3.86Å; I232-L287 HydrophobicContact CG1-CB 4.12Å; I232-L287 HydrophobicContact CG2-CB 4.32Å; I232-L287 HydrophobicContact CG2-CD1 4.08Å; I232-A288 HydrophobicContact CD1-CB 3.89Å; I232-A288 VanDerWaalsContact CD1-N 3.34Å
233	I	98.8	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.6	177.6	-172.6	163.2	0	0	0	111.8	V213 I240 A264 C268 T274 H276 A278	V213-I233 HydrophobicContact CB-CB 4.29Å; V213-I233 HydrophobicContact CB-CD1 4.45Å; V213-I233 HydrophobicContact CB-CG1 4.07Å; V213-I233 HydrophobicContact CG1-CD1 4.3Å; V213-I233 HydrophobicContact CG1-CG1 4.23Å; I233-I240 HydrophobicContact CD1-CD1 4.01Å; I233-I240 HydrophobicContact CD1-CG1 4.1Å; I233-A264 HydrophobicContact CB-CB 4.42Å; I233-A264 HydrophobicContact CD1-CB 4.33Å; I233-A264 HydrophobicContact CG1-CB 4Å; I233-A264 HydrophobicContact CG2-CB 3.72Å; I233-C268 VanDerWaalsContact CG2-SG 3.54Å; I233-T274 HydrophobicContact CB-CG2 3.99Å; I233-T274 HydrophobicContact CD1-CG2 4.33Å; I233-T274 HydrophobicContact CG2-CG2 3.96Å; I233-T274 WeakPolarHBondContact CG2-OG1 3.31Å; I233-H276 PolarHBondContact N-O 3.22Å; I233-A278 WeakPolarHBondContact O-CB 3.43Å; I233-A278 PolarHBondContact O-N 2.81Å
234	V	98.8	Very high	97	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.3	176.6	-175.5	0	0	0	0	109.8	V213 M214 Q237 G238 A278 A284	V213-V234 PolarHBondContact O-N 3.03Å; M214-V234 HydrophobicContact CB-CG2 4.43Å; M214-V234 HydrophobicContact CG-CG2 4.27Å; V234-Q237 HydrophobicContact CB-CB 4.23Å; V234-Q237 HydrophobicContact CG1-CB 3.89Å; V234-Q237 HydrophobicContact CG1-CG 4.43Å; V234-G238 WeakPolarHBondContact O-CA 3.49Å; V234-G238 PolarHBondContact O-N 2.91Å; V234-A278 HydrophobicContact CG2-CB 4.3Å; V234-A284 HydrophobicContact CG2-CB 3.72Å
235	R	98.1	Very high	96.7	Very high	99 Å²	99	36.6 Å²	36.6	37%	0.374	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	146.3	179.7	75.3	-178.8	-144.6	140.5	1	113.7	Q237 A264 Y277 A278	R235-Q237 PolarHBondContact O-N 3.45Å; R235-A264 HydrophobicContact CB-CB 4.01Å; R235-Y277 HydrophobicContact CB-CE1 3.8Å; R235-Y277 HydrophobicContact CB-CE2 4.02Å; R235-Y277 VanDerWaalsContact CB-CZ 3.45Å; R235-Y277 WeakPolarHBondContact CB-OH 3.35Å; R235-Y277 WeakPolarHBondContact CD-OH 3.41Å; R235-Y277 HydrophobicContact CG-CE1 4.25Å; R235-A278 WeakPolarHBondContact CG-O 3.45Å; R235-A278 PolarHBondContact N-O 3.41Å
236	K	96.8	Very high	96.4	Very high	152 Å²	152	41.6 Å²	41.6	66%	0.661	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	24.3	177.8	-56.4	-172.7	175.6	-170.1	0	114.1	E259	K236-E259 WeakPolarHBondContact CA-OE2 3.32Å; K236-E259 PolarHBondContact N-OE1 3.47Å
237	Q	96.9	Very high	95.9	Very high	42 Å²	42	43.9 Å²	43.9	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.5	-52.9	-174.1	-175.7	-177.8	-59.2	0	0	111.3	K81 M214 G215 V234 R235 D281	K81-Q237 HydrophobicContact CD-CG 4.26Å; K81-Q237 HydrophobicContact CG-CG 4.24Å; M214-Q237 PolarHBondContact O-NE2 3.34Å; G215-Q237 WeakPolarHBondContact CA-O 3.48Å; V234-Q237 HydrophobicContact CB-CB 4.23Å; V234-Q237 HydrophobicContact CG1-CB 3.89Å; V234-Q237 HydrophobicContact CG1-CG 4.43Å; R235-Q237 PolarHBondContact O-N 3.45Å; Q237-D281 PolarHBondContact NE2-OD1 3.16Å
238	G	97.1	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.			trans	-77.6	132.9	174.8	0	0	0	0	0	110.9	G215 V234	G215-G238 WeakPolarHBondContact O-CA 3.45Å; V234-G238 WeakPolarHBondContact O-CA 3.49Å; V234-G238 PolarHBondContact O-N 2.91Å
239	T	97.8	Very high	95.4	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.5	176.3	60.7	0	0	0	0	111.3	G215 C217 F241 A258 G262	G215-T239 PolarHBondContact O-N 2.89Å; C217-T239 WeakPolarHBondContact CA-O 3.15Å; C217-T239 VanDerWaalsContact CB-O 3.22Å; C217-T239 WeakPolarHBondContact CB-O 3.39Å; C217-T239 PolarHBondContact N-O 3.11Å; T239-F241 HydrophobicContact CG2-CE1 4.45Å; T239-A258 HydrophobicContact CG2-CB 4.14Å; T239-G262 CarbonylContact C-O 3.46Å; T239-G262 WeakPolarHBondContact CA-O 3.39Å
240	I	98.1	Very high	95	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.8	178.4	-52.7	167.3	0	0	0	109.4	V213 C217 A222 P225 I233 G262 H267 V273 T274	V213-I240 HydrophobicContact CG1-CG1 4.08Å; V213-I240 HydrophobicContact CG2-CD1 4Å; V213-I240 HydrophobicContact CG2-CG1 4.22Å; C217-I240 HydrophobicContact CB-CG1 4.18Å; C217-I240 WeakPolarHBondContact O-CA 3.33Å; A222-I240 HydrophobicContact CB-CG2 3.63Å; P225-I240 HydrophobicContact CB-CD1 3.94Å; P225-I240 HydrophobicContact CG-CD1 3.69Å; P225-I240 HydrophobicContact CG-CG1 4.04Å; P225-I240 HydrophobicContact CG-CG2 4.26Å; I233-I240 HydrophobicContact CD1-CD1 4.01Å; I233-I240 HydrophobicContact CD1-CG1 4.1Å; I240-G262 PolarHBondContact N-O 3.17Å; I240-G262 VanDerWaalsContact O-CA 3.31Å; I240-G262 WeakPolarHBondContact O-CA 3.06Å; I240-H267 PolarHBondContact O-NE2 2.76Å; I240-V273 HydrophobicContact CD1-CG1 4.04Å; I240-V273 HydrophobicContact CG2-CG1 4.46Å; I240-T274 HydrophobicContact CD1-CG2 3.42Å; I240-T274 VanDerWaalsContact CD1-CG2 3.42Å
241	F	95	Very high	94.7	Very high	22 Å²	22	48.3 Å²	48.3	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	148.2	173.4	37.6	-109	0	0	0	112.1	C217 T218 A219 T239 G243 G244 A258 L261	C217-F241 PolarHBondContact O-N 2.76Å; C217-F241 VanDerWaalsContact O-N 3.16Å; T218-F241 CarbonylContact C-O 3.44Å; T218-F241 WeakPolarHBondContact CA-O 3.33Å; T218-F241 VanDerWaalsContact CB-CE2 3.49Å; T218-F241 WeakPolarHBondContact OG1-CD2 3.48Å; T218-F241 VanDerWaalsContact OG1-CE2 3.26Å; T218-F241 WeakPolarHBondContact OG1-CE2 3.37Å; A219-F241 PolarHBondContact N-O 3.29Å; T239-F241 HydrophobicContact CG2-CE1 4.45Å; F241-G243 VanDerWaalsContact C-N 3.32Å; F241-G244 VanDerWaalsContact CD2-N 3.31Å; F241-A258 HydrophobicContact CE1-CB 4.22Å; F241-L261 HydrophobicContact CB-CD2 4.33Å; F241-L261 HydrophobicContact CB-CG 4.34Å; F241-L261 HydrophobicContact CD1-CD2 4.17Å; F241-L261 HydrophobicContact CD1-CG 4.32Å; F241-L261 HydrophobicContact CG-CD2 4.23Å
242	L	92.8	Very high	94.4	Very high	110 Å²	110	52.9 Å²	52.9	58%	0.576	30%	0.3	S	S	*	.	S	Bend	trans	-73.1	-25.8	174.3	-68.2	175.8	0	0	0	112.7	A219 A222 Y223	A219-L242 VanDerWaalsContact CA-O 3.23Å; A219-L242 WeakPolarHBondContact CA-O 3.34Å; A222-L242 HydrophobicContact CB-CD2 4.33Å; Y223-L242 HydrophobicContact CE1-CD2 4.4Å; Y223-L242 HydrophobicContact CE2-CD2 4.28Å
243	G	89.3	Confident	94.1	Very high	14 Å²	14	55.5 Å²	55.5	14%	0.144	33%	0.327	C	S	.	.	S	Bend	trans	-140.9	123.4	171.9	0	0	0	0	0	109	F241 L261	F241-G243 VanDerWaalsContact C-N 3.32Å; G243-L261 WeakPolarHBondContact O-CD2 3.22Å
244	G	90.5	Very high	93.8	Very high	8 Å²	8	60.7 Å²	60.7	8%	0.082	35%	0.352	C	S	.	.			trans	-71.1	172.7	178.1	0	0	0	0	0	112.9	F241 P246 L247 V248	F241-G244 VanDerWaalsContact CD2-N 3.31Å; G244-P246 VanDerWaalsContact C-N 3.28Å; G244-P246 VanDerWaalsContact O-N 3.11Å; G244-L247 WeakPolarHBondContact O-CA 3.04Å; G244-L247 PolarHBondContact O-N 3.42Å; G244-V248 PolarHBondContact O-N 3.14Å
245	P	92.1	Very high	93.6	Very high	31 Å²	31	67.7 Å²	67.7	20%	0.201	38%	0.384	C	S	.	.	H	α-helix	trans	-48.4	-40.1	180	-29.3	35.9	0	0	0	115.2	L247 V248 K249 V256 A258 L261	P245-L247 VanDerWaalsContact C-N 3.32Å; P245-L247 PolarHBondContact O-N 3.37Å; P245-V248 PolarHBondContact O-N 3.36Å; P245-K249 WeakPolarHBondContact O-CB 3.47Å; P245-K249 PolarHBondContact O-N 2.93Å; P245-V256 WeakPolarHBondContact CB-O 3.42Å; P245-A258 HydrophobicContact CG-CB 4.05Å; P245-L261 HydrophobicContact CG-CD2 4.1Å
246	P	90.8	Very high	93.5	Very high	106 Å²	106	64.6 Å²	64.6	69%	0.688	38%	0.376	S	S	*	.	H	α-helix	trans	-62.2	-37.1	175.8	-23.6	35.4	0	0	0	113.5	G244 A250	G244-P246 VanDerWaalsContact C-N 3.28Å; G244-P246 VanDerWaalsContact O-N 3.11Å; P246-A250 VanDerWaalsContact O-CB 3.29Å; P246-A250 WeakPolarHBondContact O-CB 3.35Å; P246-A250 PolarHBondContact O-N 2.92Å; P246-A250 VanDerWaalsContact O-N 3.09Å
247	L	89.8	Confident	93.5	Very high	103 Å²	103	59.8 Å²	59.8	54%	0.539	36%	0.362	S	S	.	.	H	α-helix	trans	-75.6	-40.3	179.4	-174.8	61	0	0	0	111.4	G244 P245 A250 A251	G244-L247 WeakPolarHBondContact O-CA 3.04Å; G244-L247 PolarHBondContact O-N 3.42Å; P245-L247 VanDerWaalsContact C-N 3.32Å; P245-L247 PolarHBondContact O-N 3.37Å; L247-A250 PolarHBondContact O-N 2.95Å; L247-A251 VanDerWaalsContact O-CB 3.29Å; L247-A251 WeakPolarHBondContact O-CB 3.5Å; L247-A251 PolarHBondContact O-N 3.31Å
248	V	91.8	Very high	93.4	Very high	25 Å²	25	59.7 Å²	59.7	15%	0.152	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-51.2	174.9	174	0	0	0	0	110	G244 P245 A250 A251 T252 E254 V256 L261	G244-V248 PolarHBondContact O-N 3.14Å; P245-V248 PolarHBondContact O-N 3.36Å; V248-A250 VanDerWaalsContact C-N 3.3Å; V248-A250 PolarHBondContact O-N 3.04Å; V248-A251 PolarHBondContact O-N 2.89Å; V248-A251 VanDerWaalsContact O-N 3.12Å; V248-T252 PolarHBondContact O-N 2.87Å; V248-T252 PolarHBondContact O-OG1 3.46Å; V248-E254 HydrophobicContact CG1-CB 4Å; V248-E254 HydrophobicContact CG1-CG 4.47Å; V248-V256 HydrophobicContact CG1-CG1 4.12Å; V248-L261 HydrophobicContact CG2-CD1 4.29Å; V248-L261 HydrophobicContact CG2-CD2 3.85Å
249	K	93	Very high	93.3	Very high	112 Å²	112	62 Å²	62	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-56.8	-43.2	176.2	-177.7	171.1	178.6	164.9	0	112.3	P245 G253 E254 E255	P245-K249 WeakPolarHBondContact O-CB 3.47Å; P245-K249 PolarHBondContact O-N 2.93Å; K249-G253 VanDerWaalsContact O-CA 3.28Å; K249-G253 WeakPolarHBondContact O-CA 3.45Å; K249-G253 PolarHBondContact O-N 2.76Å; K249-E254 WeakPolarHBondContact CA-O 3.46Å; K249-E255 HydrophobicContact CD-CG 4.25Å; K249-E255 WeakPolarHBondContact CE-OE1 3.38Å; K249-E255 IonicContact NZ-OE1 2.81Å; K249-E255 PolarHBondContact NZ-OE1 3.39Å
250	A	91.1	Very high	93.2	Very high	86 Å²	86	66.9 Å²	66.9	71%	0.711	40%	0.404	S	S	*	.	H	α-helix	trans	-67.3	-33.6	179	0	0	0	0	0	113.3	P246 L247 V248	P246-A250 VanDerWaalsContact O-CB 3.29Å; P246-A250 WeakPolarHBondContact O-CB 3.35Å; P246-A250 PolarHBondContact O-N 2.92Å; P246-A250 VanDerWaalsContact O-N 3.09Å; L247-A250 PolarHBondContact O-N 2.95Å; V248-A250 VanDerWaalsContact C-N 3.3Å; V248-A250 PolarHBondContact O-N 3.04Å
251	A	93.1	Very high	93.2	Very high	80 Å²	80	68.5 Å²	68.5	66%	0.661	41%	0.413	S	S	*	.	H	α-helix	trans	-90.1	-36.6	-174.9	0	0	0	0	0	113.9	L247 V248	L247-A251 VanDerWaalsContact O-CB 3.29Å; L247-A251 WeakPolarHBondContact O-CB 3.5Å; L247-A251 PolarHBondContact O-N 3.31Å; V248-A251 PolarHBondContact O-N 2.89Å; V248-A251 VanDerWaalsContact O-N 3.12Å
252	T	91.4	Very high	93.3	Very high	97 Å²	97	67.4 Å²	67.4	60%	0.595	41%	0.408	S	S	*	.	H	α-helix	trans	-120.7	-15.1	-171.7	69	0	0	0	0	113.8	V248 E254	V248-T252 PolarHBondContact O-N 2.87Å; V248-T252 PolarHBondContact O-OG1 3.46Å; T252-E254 PolarHBondContact O-N 3.17Å; T252-E254 VanDerWaalsContact OG1-CB 3.3Å; T252-E254 WeakPolarHBondContact OG1-CB 3.47Å; T252-E254 PolarHBondContact OG1-N 2.99Å
253	G	92.2	Very high	93.5	Very high	56 Å²	56	62.2 Å²	62.2	58%	0.577	38%	0.381	S	S	*	.			trans	78.2	-1.6	-171.4	0	0	0	0	0	114.4	K249	K249-G253 VanDerWaalsContact O-CA 3.28Å; K249-G253 WeakPolarHBondContact O-CA 3.45Å; K249-G253 PolarHBondContact O-N 2.76Å
254	E	93.6	Very high	93.9	Very high	109 Å²	109	61.5 Å²	61.5	51%	0.509	37%	0.374	S	S	.	.			trans	-72	130.4	178.5	-177.2	-176.8	171.1	0	0	111.3	V248 K249 T252	V248-E254 HydrophobicContact CG1-CB 4Å; V248-E254 HydrophobicContact CG1-CG 4.47Å; K249-E254 WeakPolarHBondContact CA-O 3.46Å; T252-E254 PolarHBondContact O-N 3.17Å; T252-E254 VanDerWaalsContact OG1-CB 3.3Å; T252-E254 WeakPolarHBondContact OG1-CB 3.47Å; T252-E254 PolarHBondContact OG1-N 2.99Å
255	E	94.9	Very high	94.3	Very high	148 Å²	148	63.7 Å²	63.7	69%	0.692	38%	0.383	S	S	*	.			trans	-98.2	113.5	170.8	-63.3	-162.6	155.3	0	0	109.8	K249	K249-E255 HydrophobicContact CD-CG 4.25Å; K249-E255 WeakPolarHBondContact CE-OE1 3.38Å; K249-E255 IonicContact NZ-OE1 2.81Å; K249-E255 PolarHBondContact NZ-OE1 3.39Å
256	V	95.8	Very high	94.6	Very high	33 Å²	33	64.3 Å²	64.3	20%	0.2	39%	0.385	C	S	.	.			trans	-137.2	144.2	-178.7	64.4	0	0	0	0	109.7	P245 V248 D260 L261	P245-V256 WeakPolarHBondContact CB-O 3.42Å; V248-V256 HydrophobicContact CG1-CG1 4.12Å; V256-D260 HydrophobicContact CG2-CB 3.84Å; V256-L261 HydrophobicContact CG1-CB 4Å; V256-L261 HydrophobicContact CG1-CD1 4.15Å; V256-L261 HydrophobicContact CG1-CD2 4.07Å; V256-L261 HydrophobicContact CG1-CG 4.3Å; V256-L261 HydrophobicContact CG2-CB 3.94Å
257	S	95.8	Very high	94.9	Very high	52 Å²	52	60 Å²	60	36%	0.364	36%	0.355	S	S	.	.			trans	-76.2	159.9	175.5	84.6	0	0	0	0	111	E259 D260 L261	S257-E259 VanDerWaalsContact C-N 3.25Å; S257-E259 PolarHBondContact O-N 2.84Å; S257-E259 PolarHBondContact OG-N 3.04Å; S257-D260 WeakPolarHBondContact CB-OD2 3.2Å; S257-D260 PolarHBondContact O-N 3.48Å; S257-D260 WeakPolarHBondContact OG-CB 3.2Å; S257-D260 PolarHBondContact OG-N 3.29Å; S257-D260 PolarHBondContact OG-OD2 2.81Å; S257-L261 WeakPolarHBondContact O-CB 3.45Å; S257-L261 PolarHBondContact O-N 3.13Å
258	A	94.6	Very high	95.3	Very high	39 Å²	39	56.9 Å²	56.9	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-33.3	176.1	0	0	0	0	0	112.5	T239 F241 P245 G262	T239-A258 HydrophobicContact CG2-CB 4.14Å; F241-A258 HydrophobicContact CE1-CB 4.22Å; P245-A258 HydrophobicContact CG-CB 4.05Å; A258-G262 PolarHBondContact O-N 3.43Å; A258-G262 VanDerWaalsContact O-N 3.11Å
259	E	96	Very high	95.6	Very high	50 Å²	50	63 Å²	63	23%	0.234	37%	0.366	C	S	.	.	H	α-helix	trans	-71.2	-42.1	178.1	-171.2	67.1	-168.5	0	0	111.3	K236 S257 G263	K236-E259 WeakPolarHBondContact CA-OE2 3.32Å; K236-E259 PolarHBondContact N-OE1 3.47Å; S257-E259 VanDerWaalsContact C-N 3.25Å; S257-E259 PolarHBondContact O-N 2.84Å; S257-E259 PolarHBondContact OG-N 3.04Å; E259-G263 VanDerWaalsContact O-CA 3.24Å; E259-G263 WeakPolarHBondContact O-CA 3.37Å; E259-G263 PolarHBondContact O-N 3.47Å
260	D	96.4	Very high	95.9	Very high	115 Å²	115	66.2 Å²	66.2	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-72.2	-33.3	179.6	-60.5	-46	0	0	0	111.9	V256 S257	V256-D260 HydrophobicContact CG2-CB 3.84Å; S257-D260 WeakPolarHBondContact CB-OD2 3.2Å; S257-D260 PolarHBondContact O-N 3.48Å; S257-D260 WeakPolarHBondContact OG-CB 3.2Å; S257-D260 PolarHBondContact OG-N 3.29Å; S257-D260 PolarHBondContact OG-OD2 2.81Å
261	L	96.4	Very high	96.2	Very high	42 Å²	42	64.9 Å²	64.9	22%	0.22	37%	0.366	C	S	.	.	H	α-helix	trans	-74.9	-36.6	179.9	-179.5	60.4	0	0	0	113.2	F241 G243 P245 V248 V256 S257 L266	F241-L261 HydrophobicContact CB-CD2 4.33Å; F241-L261 HydrophobicContact CB-CG 4.34Å; F241-L261 HydrophobicContact CD1-CD2 4.17Å; F241-L261 HydrophobicContact CD1-CG 4.32Å; F241-L261 HydrophobicContact CG-CD2 4.23Å; G243-L261 WeakPolarHBondContact O-CD2 3.22Å; P245-L261 HydrophobicContact CG-CD2 4.1Å; V248-L261 HydrophobicContact CG2-CD1 4.29Å; V248-L261 HydrophobicContact CG2-CD2 3.85Å; V256-L261 HydrophobicContact CG1-CB 4Å; V256-L261 HydrophobicContact CG1-CD1 4.15Å; V256-L261 HydrophobicContact CG1-CD2 4.07Å; V256-L261 HydrophobicContact CG1-CG 4.3Å; V256-L261 HydrophobicContact CG2-CB 3.94Å; S257-L261 WeakPolarHBondContact O-CB 3.45Å; S257-L261 PolarHBondContact O-N 3.13Å; L261-L266 WeakPolarHBondContact O-CD2 3.27Å
262	G	97.3	Very high	96.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-160.7	22.6	-167.7	0	0	0	0	0	115.3	T239 I240 A258 H267	T239-G262 CarbonylContact C-O 3.46Å; T239-G262 WeakPolarHBondContact CA-O 3.39Å; I240-G262 PolarHBondContact N-O 3.17Å; I240-G262 VanDerWaalsContact O-CA 3.31Å; I240-G262 WeakPolarHBondContact O-CA 3.06Å; A258-G262 PolarHBondContact O-N 3.43Å; A258-G262 VanDerWaalsContact O-N 3.11Å; G262-H267 WeakPolarHBondContact CA-NE2 3.15Å; G262-H267 PolarHBondContact O-CD2 3.28Å; G262-H267 PolarHBondContact O-NE2 2.77Å
263	G	97.9	Very high	96.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-73.9	175.5	179.3	0	0	0	0	0	113.9	E259 D265 L266 H267	E259-G263 VanDerWaalsContact O-CA 3.24Å; E259-G263 WeakPolarHBondContact O-CA 3.37Å; E259-G263 PolarHBondContact O-N 3.47Å; G263-D265 VanDerWaalsContact C-N 3.3Å; G263-D265 PolarHBondContact O-N 3.23Å; G263-L266 PolarHBondContact O-N 2.93Å; G263-H267 PolarHBondContact O-CD2 3.45Å; G263-H267 PolarHBondContact O-N 3.21Å; G263-H267 VanDerWaalsContact O-N 3.17Å
264	A	98.1	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-39.3	180	0	0	0	0	0	113.2	I233 R235 L266 H267 C268 Y277	I233-A264 HydrophobicContact CB-CB 4.42Å; I233-A264 HydrophobicContact CD1-CB 4.33Å; I233-A264 HydrophobicContact CG1-CB 4Å; I233-A264 HydrophobicContact CG2-CB 3.72Å; R235-A264 HydrophobicContact CB-CB 4.01Å; A264-L266 VanDerWaalsContact C-N 3.32Å; A264-L266 PolarHBondContact O-N 3.25Å; A264-H267 PolarHBondContact O-N 2.89Å; A264-C268 WeakPolarHBondContact O-CB 3.32Å; A264-C268 PolarHBondContact O-N 3.39Å; A264-Y277 HydrophobicContact CB-CD2 3.89Å; A264-Y277 HydrophobicContact CB-CE2 3.65Å
265	D	98.1	Very high	97.3	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-40.7	179.8	-83.6	-79.5	0	0	0	111.6	G263 K269 Y277	G263-D265 VanDerWaalsContact C-N 3.3Å; G263-D265 PolarHBondContact O-N 3.23Å; D265-K269 WeakPolarHBondContact O-CB 3.44Å; D265-K269 WeakPolarHBondContact O-CG 3.41Å; D265-K269 PolarHBondContact O-N 2.79Å; D265-K269 VanDerWaalsContact OD1-CE 3.24Å; D265-K269 WeakPolarHBondContact OD1-CE 3.26Å; D265-K269 IonicContact OD1-NZ 2.65Å; D265-K269 PolarHBondContact OD1-NZ 2.95Å; D265-Y277 PolarHBondContact OD1-OH 2.91Å; D265-Y277 PolarHBondContact OD2-OH 3.06Å
266	L	98	Very high	97.5	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-50.6	175.8	-177.9	72.5	0	0	0	111.2	L261 G263 A264 K270 S271	L261-L266 WeakPolarHBondContact O-CD2 3.27Å; G263-L266 PolarHBondContact O-N 2.93Å; A264-L266 VanDerWaalsContact C-N 3.32Å; A264-L266 PolarHBondContact O-N 3.25Å; L266-K270 HydrophobicContact CD1-CB 4.22Å; L266-K270 HydrophobicContact CD1-CD 3.9Å; L266-K270 WeakPolarHBondContact O-CA 3.47Å; L266-K270 WeakPolarHBondContact O-CB 3.39Å; L266-K270 PolarHBondContact O-N 3.14Å; L266-S271 PolarHBondContact O-N 3.21Å
267	H	98.5	Very high	97.6	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.065	30%	0.301	C	S	.	.	I	π-helix	trans	-76.2	-32.3	-170.5	-68.3	-46.9	0	0	0	114.5	I240 G262 G263 A264 S271 G272 V273 T274	I240-H267 PolarHBondContact O-NE2 2.76Å; G262-H267 WeakPolarHBondContact CA-NE2 3.15Å; G262-H267 PolarHBondContact O-CD2 3.28Å; G262-H267 PolarHBondContact O-NE2 2.77Å; G263-H267 PolarHBondContact O-CD2 3.45Å; G263-H267 PolarHBondContact O-N 3.21Å; G263-H267 VanDerWaalsContact O-N 3.17Å; A264-H267 PolarHBondContact O-N 2.89Å; H267-S271 WeakPolarHBondContact CA-OG 3.38Å; H267-S271 PolarHBondContact ND1-OG 3.15Å; H267-G272 VanDerWaalsContact O-CA 3.29Å; H267-G272 WeakPolarHBondContact O-CA 3.17Å; H267-G272 PolarHBondContact O-N 3.31Å; H267-V273 HydrophobicContact CB-CB 4.17Å; H267-V273 PolarHBondContact O-N 2.86Å; H267-T274 HydrophobicContact CB-CG2 4Å; H267-T274 VanDerWaalsContact CB-OG1 3.22Å; H267-T274 WeakPolarHBondContact CB-OG1 3.27Å
268	C	98.3	Very high	97.8	Very high	38 Å²	38	52.4 Å²	52.4	26%	0.257	28%	0.284	S	S	.	.	I	π-helix	trans	-83.4	-27.7	175.7	-70.3	0	0	0	0	113.8	I233 A264 T274 Y277	I233-C268 VanDerWaalsContact CG2-SG 3.54Å; A264-C268 WeakPolarHBondContact O-CB 3.32Å; A264-C268 PolarHBondContact O-N 3.39Å; C268-T274 PolarHBondContact N-OG1 2.81Å; C268-T274 PolarHBondContact SG-OG1 2.99Å; C268-Y277 HydrophobicContact CB-CD2 3.91Å
269	K	97.9	Very high	98	Very high	153 Å²	153	55.2 Å²	55.2	67%	0.665	29%	0.293	S	S	*	.	I	π-helix	trans	-105.9	-26.9	-172.9	-57.7	176.1	173.6	171.3	0	114.4	D265	D265-K269 WeakPolarHBondContact O-CB 3.44Å; D265-K269 WeakPolarHBondContact O-CG 3.41Å; D265-K269 PolarHBondContact O-N 2.79Å; D265-K269 VanDerWaalsContact OD1-CE 3.24Å; D265-K269 WeakPolarHBondContact OD1-CE 3.26Å; D265-K269 IonicContact OD1-NZ 2.65Å; D265-K269 PolarHBondContact OD1-NZ 2.95Å
270	K	98.1	Very high	98.1	Very high	180 Å²	180	56.4 Å²	56.4	78%	0.783	30%	0.301	S	S	*	.	I	π-helix	trans	-121.2	-55.2	-171.6	-167.4	-177.9	-178.9	-175.3	0	113	L266	L266-K270 HydrophobicContact CD1-CB 4.22Å; L266-K270 HydrophobicContact CD1-CD 3.9Å; L266-K270 WeakPolarHBondContact O-CA 3.47Å; L266-K270 WeakPolarHBondContact O-CB 3.39Å; L266-K270 PolarHBondContact O-N 3.14Å
271	S	97.9	Very high	98.2	Very high	59 Å²	59	51 Å²	51	41%	0.413	27%	0.273	S	S	.	.	I	π-helix	trans	-85.2	-25.8	-172.3	84.7	0	0	0	0	113.8	L266 H267 V273	L266-S271 PolarHBondContact O-N 3.21Å; H267-S271 WeakPolarHBondContact CA-OG 3.38Å; H267-S271 PolarHBondContact ND1-OG 3.15Å; S271-V273 VanDerWaalsContact C-N 3.3Å; S271-V273 PolarHBondContact O-N 2.96Å; S271-V273 VanDerWaalsContact OG-CG2 3.26Å; S271-V273 WeakPolarHBondContact OG-CG2 3.43Å; S271-V273 PolarHBondContact OG-N 3.4Å
272	G	98	Very high	98.3	Very high	58 Å²	58	52.4 Å²	52.4	60%	0.598	28%	0.28	S	S	*	.			trans	68.5	25	-175.9	0	0	0	0	0	114.2	H267 T274	H267-G272 VanDerWaalsContact O-CA 3.29Å; H267-G272 WeakPolarHBondContact O-CA 3.17Å; H267-G272 PolarHBondContact O-N 3.31Å; G272-T274 VanDerWaalsContact C-N 3.28Å
273	V	98.3	Very high	98.4	Very high	48 Å²	48	55.2 Å²	55.2	29%	0.291	29%	0.293	S	S	.	.	S	Bend	trans	-76.5	-22	177.2	167.5	0	0	0	0	111.3	A226 I240 H267 S271	A226-V273 HydrophobicContact CB-CG1 4.27Å; I240-V273 HydrophobicContact CD1-CG1 4.04Å; I240-V273 HydrophobicContact CG2-CG1 4.46Å; H267-V273 HydrophobicContact CB-CB 4.17Å; H267-V273 PolarHBondContact O-N 2.86Å; S271-V273 VanDerWaalsContact C-N 3.3Å; S271-V273 PolarHBondContact O-N 2.96Å; S271-V273 VanDerWaalsContact OG-CG2 3.26Å; S271-V273 WeakPolarHBondContact OG-CG2 3.43Å; S271-V273 PolarHBondContact OG-N 3.4Å
274	T	98.4	Very high	98.4	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.025	29%	0.293	C	S	.	.			trans	-133.1	139.1	-179.3	56.7	0	0	0	0	110.2	I233 I240 H267 C268 G272	I233-T274 HydrophobicContact CB-CG2 3.99Å; I233-T274 HydrophobicContact CD1-CG2 4.33Å; I233-T274 HydrophobicContact CG2-CG2 3.96Å; I233-T274 WeakPolarHBondContact CG2-OG1 3.31Å; I240-T274 HydrophobicContact CD1-CG2 3.42Å; I240-T274 VanDerWaalsContact CD1-CG2 3.42Å; H267-T274 HydrophobicContact CB-CG2 4Å; H267-T274 VanDerWaalsContact CB-OG1 3.22Å; H267-T274 WeakPolarHBondContact CB-OG1 3.27Å; C268-T274 PolarHBondContact N-OG1 2.81Å; C268-T274 PolarHBondContact SG-OG1 2.99Å; G272-T274 VanDerWaalsContact C-N 3.28Å
275	D	98.7	Very high	98.4	Very high	94 Å²	94	55.4 Å²	55.4	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-90.3	-31.8	-170.5	-48.2	-76.1	0	0	0	113	S231	S231-D275 PolarHBondContact N-OD2 3.04Å; S231-D275 PolarHBondContact O-N 2.88Å
276	H	98.8	Very high	98.5	Very high	48 Å²	48	58.3 Å²	58.3	22%	0.222	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.3	-171.7	-54.5	-83.2	0	0	0	113	E230 S231 I232 I233 L287	E230-H276 IonicContact OE2-CD2 2.76Å; E230-H276 IonicContact OE2-CE1 3.65Å; E230-H276 IonicContact OE2-NE2 2.65Å; E230-H276 PolarHBondContact OE2-NE2 3.1Å; S231-H276 PolarHBondContact O-N 2.98Å; I232-H276 WeakPolarHBondContact CA-O 3.33Å; I232-H276 HydrophobicContact CB-CB 4.26Å; I232-H276 HydrophobicContact CG1-CB 3.72Å; I232-H276 HydrophobicContact CG2-CB 4.34Å; I233-H276 PolarHBondContact N-O 3.22Å; H276-L287 HydrophobicContact CB-CD1 4.14Å
277	Y	98.7	Very high	98.5	Very high	60 Å²	60	57 Å²	57	24%	0.235	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105.9	179.8	-170	-88.3	0	0	0	111.3	R235 A264 D265 C268 L279	R235-Y277 HydrophobicContact CB-CE1 3.8Å; R235-Y277 HydrophobicContact CB-CE2 4.02Å; R235-Y277 VanDerWaalsContact CB-CZ 3.45Å; R235-Y277 WeakPolarHBondContact CB-OH 3.35Å; R235-Y277 WeakPolarHBondContact CD-OH 3.41Å; R235-Y277 HydrophobicContact CG-CE1 4.25Å; A264-Y277 HydrophobicContact CB-CD2 3.89Å; A264-Y277 HydrophobicContact CB-CE2 3.65Å; D265-Y277 PolarHBondContact OD1-OH 2.91Å; D265-Y277 PolarHBondContact OD2-OH 3.06Å; C268-Y277 HydrophobicContact CB-CD2 3.91Å; Y277-L279 HydrophobicContact CE1-CD2 4.29Å
278	A	98.8	Very high	98.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	149.4	178.8	0	0	0	0	0	112.5	I232 I233 V234 R235 A284 L287	I232-A278 HydrophobicContact CG2-CB 3.94Å; I233-A278 WeakPolarHBondContact O-CB 3.43Å; I233-A278 PolarHBondContact O-N 2.81Å; V234-A278 HydrophobicContact CG2-CB 4.3Å; R235-A278 WeakPolarHBondContact CG-O 3.45Å; R235-A278 PolarHBondContact N-O 3.41Å; A278-A284 HydrophobicContact CB-CB 3.62Å; A278-L287 HydrophobicContact CB-CD1 4.07Å
279	L	98.5	Very high	98.6	Very high	99 Å²	99	57.4 Å²	57.4	52%	0.518	29%	0.294	S	S	.	.	S	Bend	trans	-89.3	-33.4	-177.1	-62.4	-179.1	0	0	0	112.5	Y277 H283	Y277-L279 HydrophobicContact CE1-CD2 4.29Å; L279-H283 HydrophobicContact CB-CB 4.36Å; L279-H283 PolarHBondContact N-ND1 3.09Å; L279-H283 VanDerWaalsContact N-ND1 3.17Å
280	D	98.5	Very high	98.6	Very high	74 Å²	74	56.3 Å²	56.3	40%	0.396	29%	0.29	S	S	.	.	S	Bend	trans	-158.9	-179.6	179.1	59.4	43.6	0	0	0	109.1	N282 H283 A284	D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 PolarHBondContact O-N 2.84Å; D280-N282 WeakPolarHBondContact OD1-CA 3.37Å; D280-N282 WeakPolarHBondContact OD1-CB 3.48Å; D280-N282 PolarHBondContact OD1-N 3.39Å; D280-H283 PolarHBondContact O-N 3.39Å; D280-H283 PolarHBondContact OD1-N 3.36Å; D280-A284 PolarHBondContact O-N 3.36Å
281	D	98.6	Very high	98.6	Very high	3 Å²	3	48 Å²	48	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-39.3	178.3	-77.6	13.1	0	0	0	112.7	L82 R87 M214 Q237 A284 L285	L82-D281 HydrophobicContact CB-CB 4.24Å; L82-D281 WeakPolarHBondContact CB-OD2 3.49Å; L82-D281 HydrophobicContact CD1-CB 3.79Å; L82-D281 HydrophobicContact CG-CB 3.81Å; L82-D281 PolarHBondContact N-OD2 3Å; R87-D281 IonicContact CZ-OD2 3.51Å; R87-D281 VanDerWaalsContact CZ-OD2 3.29Å; R87-D281 IonicContact NE-OD2 2.74Å; R87-D281 PolarHBondContact NE-OD2 2.85Å; R87-D281 IonicContact NH2-OD1 3.71Å; R87-D281 IonicContact NH2-OD2 3.09Å; R87-D281 PolarHBondContact NH2-OD2 3.14Å; M214-D281 HydrophobicContact CE-CB 3.5Å; Q237-D281 PolarHBondContact NE2-OD1 3.16Å; D281-A284 PolarHBondContact O-N 3.36Å; D281-L285 WeakPolarHBondContact O-CG 3.44Å; D281-L285 PolarHBondContact O-N 3.13Å
282	N	98.8	Very high	98.7	Very high	70 Å²	70	45.2 Å²	45.2	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-69.3	-42.6	-178.2	-65.8	-68.4	0	0	0	111.7	R90 D280 A284 L285 H286	R90-N282 VanDerWaalsContact CD-OD1 3.23Å; R90-N282 WeakPolarHBondContact CD-OD1 3.4Å; R90-N282 PolarHBondContact NH1-ND2 3.45Å; R90-N282 PolarHBondContact NH1-OD1 3.09Å; D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 PolarHBondContact O-N 2.84Å; D280-N282 WeakPolarHBondContact OD1-CA 3.37Å; D280-N282 WeakPolarHBondContact OD1-CB 3.48Å; D280-N282 PolarHBondContact OD1-N 3.39Å; N282-A284 VanDerWaalsContact C-N 3.3Å; N282-A284 PolarHBondContact O-N 2.81Å; N282-L285 PolarHBondContact O-N 3.18Å; N282-H286 PolarHBondContact O-N 3.34Å
283	H	98.8	Very high	98.7	Very high	60 Å²	60	52.3 Å²	52.3	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-40.4	175.3	-174.8	-155	0	0	0	110.8	L279 D280 L285 H286 L287	L279-H283 HydrophobicContact CB-CB 4.36Å; L279-H283 PolarHBondContact N-ND1 3.09Å; L279-H283 VanDerWaalsContact N-ND1 3.17Å; D280-H283 PolarHBondContact O-N 3.39Å; D280-H283 PolarHBondContact OD1-N 3.36Å; H283-L285 PolarHBondContact O-N 2.7Å; H283-H286 WeakPolarHBondContact O-CB 3.5Å; H283-H286 PolarHBondContact O-N 2.95Å; H283-L287 WeakPolarHBondContact O-CG 3.48Å; H283-L287 PolarHBondContact O-N 2.85Å
284	A	98.9	Very high	98.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176.5	0	0	0	0	0	112.6	V212 M214 I232 V234 A278 D280 D281 N282 H286 L287 A288	V212-A284 HydrophobicContact CG1-CB 3.72Å; M214-A284 HydrophobicContact CE-CB 4.45Å; I232-A284 HydrophobicContact CG2-CB 3.93Å; V234-A284 HydrophobicContact CG2-CB 3.72Å; A278-A284 HydrophobicContact CB-CB 3.62Å; D280-A284 PolarHBondContact O-N 3.36Å; D281-A284 PolarHBondContact O-N 3.36Å; N282-A284 VanDerWaalsContact C-N 3.3Å; N282-A284 PolarHBondContact O-N 2.81Å; A284-H286 VanDerWaalsContact C-N 3.33Å; A284-H286 PolarHBondContact O-N 2.75Å; A284-L287 PolarHBondContact O-N 2.7Å; A284-A288 PolarHBondContact O-N 2.69Å
285	L	98.9	Very high	98.7	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-36.3	176.9	-62.9	171.6	0	0	0	111.9	L82 R87 R90 L91 L171 M214 D281 N282 H283 A288 R289	L82-L285 HydrophobicContact CD1-CD1 4.34Å; R87-L285 HydrophobicContact CB-CD1 4.19Å; R87-L285 HydrophobicContact CB-CD2 4.4Å; R87-L285 HydrophobicContact CG-CD1 4.46Å; R87-L285 WeakPolarHBondContact O-CD1 3.43Å; R90-L285 HydrophobicContact CB-CD1 3.78Å; L91-L285 HydrophobicContact CB-CD2 4.16Å; L91-L285 HydrophobicContact CD1-CD2 4.28Å; L171-L285 HydrophobicContact CD1-CD2 4.43Å; L171-L285 HydrophobicContact CD2-CD2 4Å; M214-L285 HydrophobicContact CE-CD1 4.49Å; M214-L285 HydrophobicContact CE-CD2 4.14Å; M214-L285 HydrophobicContact CE-CG 4.1Å; M214-L285 HydrophobicContact SD-CD2 4.4Å; D281-L285 WeakPolarHBondContact O-CG 3.44Å; D281-L285 PolarHBondContact O-N 3.13Å; N282-L285 PolarHBondContact O-N 3.18Å; H283-L285 PolarHBondContact O-N 2.7Å; L285-A288 PolarHBondContact O-N 2.88Å; L285-R289 VanDerWaalsContact O-CG 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.23Å; L285-R289 PolarHBondContact O-N 3.49Å
286	H	98.8	Very high	98.6	Very high	115 Å²	115	57.9 Å²	57.9	53%	0.532	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-45	171.4	174.2	80.2	0	0	0	112.1	N282 H283 A284 R289 K290	N282-H286 PolarHBondContact O-N 3.34Å; H283-H286 WeakPolarHBondContact O-CB 3.5Å; H283-H286 PolarHBondContact O-N 2.95Å; A284-H286 VanDerWaalsContact C-N 3.33Å; A284-H286 PolarHBondContact O-N 2.75Å; H286-R289 PolarHBondContact O-N 2.72Å; H286-K290 PolarHBondContact O-N 3.3Å
287	L	98.9	Very high	98.4	Very high	17 Å²	17	59 Å²	59	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-39.1	177	-68.2	167.1	0	0	0	111.8	I232 H276 A278 H283 A284 R289 K290 T291	I232-L287 HydrophobicContact CD1-CB 3.86Å; I232-L287 HydrophobicContact CG1-CB 4.12Å; I232-L287 HydrophobicContact CG2-CB 4.32Å; I232-L287 HydrophobicContact CG2-CD1 4.08Å; H276-L287 HydrophobicContact CB-CD1 4.14Å; A278-L287 HydrophobicContact CB-CD1 4.07Å; H283-L287 WeakPolarHBondContact O-CG 3.48Å; H283-L287 PolarHBondContact O-N 2.85Å; A284-L287 PolarHBondContact O-N 2.7Å; L287-R289 PolarHBondContact O-N 3.12Å; L287-K290 WeakPolarHBondContact O-CB 3.46Å; L287-K290 PolarHBondContact O-N 3.2Å; L287-T291 PolarHBondContact O-N 2.94Å; L287-T291 PolarHBondContact O-OG1 2.84Å
288	A	98.9	Very high	98.2	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-44.8	174.3	0	0	0	0	0	111.3	L91 V212 I232 A284 L285 K290 T291 V292	L91-A288 HydrophobicContact CD1-CB 3.92Å; V212-A288 HydrophobicContact CG2-CB 3.86Å; I232-A288 HydrophobicContact CD1-CB 3.89Å; I232-A288 VanDerWaalsContact CD1-N 3.34Å; A284-A288 PolarHBondContact O-N 2.69Å; L285-A288 PolarHBondContact O-N 2.88Å; A288-K290 VanDerWaalsContact C-N 3.32Å; A288-K290 PolarHBondContact O-N 3.22Å; A288-T291 WeakPolarHBondContact O-CB 3.43Å; A288-T291 PolarHBondContact O-N 2.92Å; A288-V292 WeakPolarHBondContact O-CG2 3.22Å; A288-V292 PolarHBondContact O-N 3.11Å
289	R	98.9	Very high	98	Very high	61 Å²	61	68.3 Å²	68.3	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-40.3	173.9	-68.9	176.5	61.6	71.5	6.4	112.4	L91 L92 D93 V127 S128 L285 H286 L287 V292 R293	L91-R289 HydrophobicContact CD1-CG 4.03Å; L91-R289 WeakPolarHBondContact O-CD 3.46Å; L91-R289 PolarHBondContact O-NH1 3.02Å; L92-R289 PolarHBondContact O-NH1 2.89Å; D93-R289 IonicContact OD1-CZ 2.8Å; D93-R289 VanDerWaalsContact OD1-CZ 3.24Å; D93-R289 IonicContact OD1-NH1 3.56Å; D93-R289 PolarHBondContact OD1-NH1 3.26Å; D93-R289 IonicContact OD1-NH2 2.8Å; D93-R289 PolarHBondContact OD1-NH2 3.33Å; V127-R289 HydrophobicContact CG1-CB 4.4Å; V127-R289 HydrophobicContact CG1-CG 3.86Å; S128-R289 PolarHBondContact OG-O 3.35Å; L285-R289 VanDerWaalsContact O-CG 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.23Å; L285-R289 PolarHBondContact O-N 3.49Å; H286-R289 PolarHBondContact O-N 2.72Å; L287-R289 PolarHBondContact O-N 3.12Å; R289-V292 PolarHBondContact O-N 3.48Å; R289-R293 PolarHBondContact O-N 2.91Å; R289-R293 VanDerWaalsContact O-N 3.08Å
290	K	98.7	Very high	97.7	Very high	130 Å²	130	68.9 Å²	68.9	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-43.2	176.2	-175.3	-175.1	175.1	-170.3	0	111.2	H286 L287 A288 R293 S294	H286-K290 PolarHBondContact O-N 3.3Å; L287-K290 WeakPolarHBondContact O-CB 3.46Å; L287-K290 PolarHBondContact O-N 3.2Å; A288-K290 VanDerWaalsContact C-N 3.32Å; A288-K290 PolarHBondContact O-N 3.22Å; K290-R293 WeakPolarHBondContact O-CB 3.31Å; K290-R293 PolarHBondContact O-N 3.28Å; K290-S294 PolarHBondContact O-N 2.89Å; K290-S294 PolarHBondContact O-OG 2.65Å
291	T	98.8	Very high	97.5	Very high	4 Å²	4	68.5 Å²	68.5	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-49.4	176.5	-54.5	0	0	0	0	111.1	I210 E230 L287 A288 R293 S294 L295	I210-T291 HydrophobicContact CD1-CG2 3.61Å; I210-T291 HydrophobicContact CG1-CG2 3.78Å; I210-T291 HydrophobicContact CG2-CG2 4.21Å; E230-T291 HydrophobicContact CB-CG2 3.94Å; E230-T291 HydrophobicContact CG-CG2 4.21Å; E230-T291 WeakPolarHBondContact OE1-CG2 3.5Å; L287-T291 PolarHBondContact O-N 2.94Å; L287-T291 PolarHBondContact O-OG1 2.84Å; A288-T291 WeakPolarHBondContact O-CB 3.43Å; A288-T291 PolarHBondContact O-N 2.92Å; T291-R293 VanDerWaalsContact C-N 3.29Å; T291-R293 PolarHBondContact O-N 2.75Å; T291-S294 PolarHBondContact O-N 2.73Å; T291-S294 VanDerWaalsContact O-N 3.09Å; T291-S294 PolarHBondContact O-OG 2.71Å; T291-L295 PolarHBondContact O-N 3.33Å
292	V	98.8	Very high	97.3	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-60	-39.7	177	177.8	0	0	0	0	111.8	V127 V130 I169 I210 A288 R289 S294 L295	V127-V292 HydrophobicContact CB-CG1 4.31Å; V127-V292 HydrophobicContact CB-CG2 4.38Å; V127-V292 HydrophobicContact CG1-CB 4.1Å; V127-V292 HydrophobicContact CG1-CG1 4.32Å; V127-V292 HydrophobicContact CG1-CG2 3.9Å; V127-V292 WeakPolarHBondContact O-CG1 3.33Å; V130-V292 HydrophobicContact CB-CG1 3.76Å; V130-V292 HydrophobicContact CG1-CG1 4.42Å; V130-V292 HydrophobicContact CG2-CG1 3.92Å; I169-V292 HydrophobicContact CD1-CG2 3.78Å; I169-V292 HydrophobicContact CG1-CG2 4.41Å; I210-V292 HydrophobicContact CD1-CG2 3.59Å; A288-V292 WeakPolarHBondContact O-CG2 3.22Å; A288-V292 PolarHBondContact O-N 3.11Å; R289-V292 PolarHBondContact O-N 3.48Å; V292-S294 PolarHBondContact O-N 3.02Å; V292-L295 HydrophobicContact CB-CD1 4.46Å; V292-L295 HydrophobicContact CG1-CD1 4.23Å; V292-L295 WeakPolarHBondContact O-CB 3.19Å; V292-L295 WeakPolarHBondContact O-CG 3.5Å; V292-L295 PolarHBondContact O-N 2.78Å
293	R	98.2	Very high	97.1	Very high	206 Å²	206	71.5 Å²	71.5	78%	0.777	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-30.5	178	-174.4	-179.5	175.4	-166.4	-0.9	112.6	R289 K290 T291	R289-R293 PolarHBondContact O-N 2.91Å; R289-R293 VanDerWaalsContact O-N 3.08Å; K290-R293 WeakPolarHBondContact O-CB 3.31Å; K290-R293 PolarHBondContact O-N 3.28Å; T291-R293 VanDerWaalsContact C-N 3.29Å; T291-R293 PolarHBondContact O-N 2.75Å
294	S	98	Very high	97	Very high	79 Å²	79	73.1 Å²	73.1	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-87.4	-1.4	-179.9	44.7	0	0	0	0	114.8	K290 T291 V292 N296	K290-S294 PolarHBondContact O-N 2.89Å; K290-S294 PolarHBondContact O-OG 2.65Å; T291-S294 PolarHBondContact O-N 2.73Å; T291-S294 VanDerWaalsContact O-N 3.09Å; T291-S294 PolarHBondContact O-OG 2.71Å; V292-S294 PolarHBondContact O-N 3.02Å; S294-N296 PolarHBondContact O-N 2.93Å
295	L	97.9	Very high	96.9	Very high	49 Å²	49	76.8 Å²	76.8	26%	0.257	37%	0.367	S	S	.	.	S	Bend	trans	-64.7	-12	-177.8	-66	-179.9	0	0	0	114.9	P167 A208 T291 V292 Y297	P167-L295 HydrophobicContact CB-CD1 4.06Å; P167-L295 HydrophobicContact CG-CD1 3.96Å; A208-L295 HydrophobicContact CB-CD1 3.9Å; A208-L295 HydrophobicContact CB-CD2 3.51Å; A208-L295 HydrophobicContact CB-CG 4.34Å; T291-L295 PolarHBondContact O-N 3.33Å; V292-L295 HydrophobicContact CB-CD1 4.46Å; V292-L295 HydrophobicContact CG1-CD1 4.23Å; V292-L295 WeakPolarHBondContact O-CB 3.19Å; V292-L295 WeakPolarHBondContact O-CG 3.5Å; V292-L295 PolarHBondContact O-N 2.78Å; L295-Y297 PolarHBondContact O-N 3.42Å
296	N	96.8	Very high	96.7	Very high	135 Å²	135	81.4 Å²	81.4	72%	0.722	39%	0.388	S	S	*	.			trans	52.8	35.9	-170.2	-173.4	38.3	0	0	0	112	S294	S294-N296 PolarHBondContact O-N 2.93Å
297	Y	96.1	Very high	96.6	Very high	71 Å²	71	81.3 Å²	81.3	28%	0.278	40%	0.398	S	S	.	.			trans	-71.7	135.4	-175.8	-169.2	-90.7	0	0	0	111.5	V130 H165 P167 L295 K299 N551	V130-Y297 HydrophobicContact CB-CD1 4.42Å; V130-Y297 HydrophobicContact CG1-CD1 3.62Å; V130-Y297 HydrophobicContact CG1-CD2 4.2Å; V130-Y297 HydrophobicContact CG1-CE1 3.88Å; V130-Y297 HydrophobicContact CG1-CE2 4.43Å; V130-Y297 HydrophobicContact CG1-CG 3.78Å; V130-Y297 HydrophobicContact CG2-CD1 4.07Å; V130-Y297 HydrophobicContact CG2-CG 4.2Å; H165-Y297 PolarHBondContact O-OH 3.19Å; P167-Y297 HydrophobicContact CG-CD2 3.99Å; P167-Y297 HydrophobicContact CG-CE2 3.89Å; L295-Y297 PolarHBondContact O-N 3.42Å; Y297-K299 HydrophobicContact CE1-CB 4.37Å; Y297-N551 WeakPolarHBondContact OH-CB 3.17Å; Y297-N551 PolarHBondContact OH-OD1 3.21Å; Y297-N551 VanDerWaalsContact OH-OD1 3.04Å
298	R	93.7	Very high	96.5	Very high	196 Å²	196	84.1 Å²	84.1	74%	0.74	42%	0.416	S	S	*	.			trans	-134	124.2	173.7	-67.4	-172.6	-177.5	-163.5	0.2	110.4
299	K	94.6	Very high	96.4	Very high	60 Å²	60	88 Å²	88	26%	0.261	43%	0.434	S	S	.	.			trans	-85.4	118.9	171.3	-177	176.9	-169.3	170.2	0	109.8	E131 Y297 I301 S547 N551	E131-K299 IonicContact OE1-NZ 2.76Å; E131-K299 IonicContact OE2-NZ 3.61Å; E131-K299 PolarHBondContact OE2-NZ 3.07Å; Y297-K299 HydrophobicContact CE1-CB 4.37Å; K299-I301 HydrophobicContact CD-CD1 4.35Å; K299-I301 HydrophobicContact CD-CG1 4.25Å; K299-I301 HydrophobicContact CG-CG1 4.06Å; K299-S547 VanDerWaalsContact CE-O 3.3Å; K299-S547 WeakPolarHBondContact CE-O 3.42Å; K299-S547 PolarHBondContact NZ-O 3.42Å; K299-S547 PolarHBondContact NZ-OG 3.28Å; K299-N551 VanDerWaalsContact CD-OD1 3.22Å; K299-N551 WeakPolarHBondContact CD-OD1 3.44Å; K299-N551 VanDerWaalsContact CG-OD1 3.23Å; K299-N551 WeakPolarHBondContact CG-OD1 3.37Å
300	N	92.1	Very high	96.4	Very high	111 Å²	111	88.7 Å²	88.7	59%	0.594	45%	0.452	S	S	*	.			trans	-106.2	106.9	176	-65	-31.6	0	0	0	109.3	E302	N300-E302 PolarHBondContact O-N 3.05Å
301	I	94.6	Very high	96.4	Very high	67 Å²	67	83.9 Å²	83.9	34%	0.344	43%	0.434	S	S	.	.			trans	-89.3	108.1	179.9	-57.1	177.5	0	0	0	108.8	K299 V303 V305 L550	K299-I301 HydrophobicContact CD-CD1 4.35Å; K299-I301 HydrophobicContact CD-CG1 4.25Å; K299-I301 HydrophobicContact CG-CG1 4.06Å; I301-V303 VanDerWaalsContact C-N 3.28Å; I301-V303 HydrophobicContact CG2-CG2 3.6Å; I301-V303 PolarHBondContact O-N 3.45Å; I301-V305 HydrophobicContact CG2-CG2 3.79Å; I301-L550 HydrophobicContact CG2-CD1 4.25Å
302	E	93.6	Very high	96.3	Very high	112 Å²	112	87.8 Å²	87.8	52%	0.523	46%	0.455	S	S	.	.			trans	-94	30.6	-176.6	-62.6	-177.5	151.2	0	0	113.2	N300 N396 T554	N300-E302 PolarHBondContact O-N 3.05Å; E302-N396 PolarHBondContact O-ND2 3.27Å; E302-T554 WeakPolarHBondContact OE2-CB 3.38Å; E302-T554 PolarHBondContact OE2-N 3.02Å; E302-T554 VanDerWaalsContact OE2-N 3.11Å; E302-T554 PolarHBondContact OE2-OG1 2.93Å
303	V	95.2	Very high	96.2	Very high	24 Å²	24	89.2 Å²	89.2	15%	0.145	46%	0.461	C	S	.	.	S	Bend	trans	-132.5	159.2	174.8	-61.7	0	0	0	0	109.9	I301 V305 P367 N396 L550	I301-V303 VanDerWaalsContact C-N 3.28Å; I301-V303 HydrophobicContact CG2-CG2 3.6Å; I301-V303 PolarHBondContact O-N 3.45Å; V303-V305 PolarHBondContact O-N 3.31Å; V303-P367 HydrophobicContact CB-CG 3.83Å; V303-P367 HydrophobicContact CG1-CG 4.46Å; V303-P367 HydrophobicContact CG2-CG 4.15Å; V303-N396 WeakPolarHBondContact CG1-O 3.3Å; V303-L550 HydrophobicContact CG1-CD2 4.2Å; V303-L550 HydrophobicContact CG2-CD1 3.98Å; V303-L550 HydrophobicContact CG2-CD2 3.89Å
304	T	96.1	Very high	96.2	Very high	94 Å²	94	82.5 Å²	82.5	58%	0.577	44%	0.444	S	S	*	.			trans	-71.4	126.2	175.5	55.3	0	0	0	0	110.1	R362 P367	T304-R362 PolarHBondContact O-NH1 2.88Å; T304-R362 PolarHBondContact OG1-NH2 2.83Å; T304-P367 VanDerWaalsContact O-CD 3.24Å; T304-P367 WeakPolarHBondContact O-CD 3.41Å
305	V	96.6	Very high	96.2	Very high	77 Å²	77	81 Å²	81	47%	0.467	43%	0.433	S	S	.	.			trans	-108.8	125	174.6	-175	0	0	0	0	108.7	I301 V303 Y366	I301-V305 HydrophobicContact CG2-CG2 3.79Å; V303-V305 PolarHBondContact O-N 3.31Å; V305-Y366 HydrophobicContact CG1-CE1 4.43Å; V305-Y366 HydrophobicContact CG2-CD1 4.04Å; V305-Y366 HydrophobicContact CG2-CE1 4.1Å
306	E	95.9	Very high	96.1	Very high	100 Å²	100	81.6 Å²	81.6	47%	0.467	44%	0.437	S	S	.	.			trans	-104.1	162.9	175.4	-81.3	172.7	-148	0	0	111.2	T308 R362 G365	E306-T308 PolarHBondContact O-N 2.91Å; E306-R362 VanDerWaalsContact CD-NH2 3.28Å; E306-R362 IonicContact OE1-CZ 3.96Å; E306-R362 IonicContact OE1-NE 3.88Å; E306-R362 PolarHBondContact OE1-NE 3.32Å; E306-R362 IonicContact OE1-NH2 2.95Å; E306-R362 PolarHBondContact OE1-NH2 3.4Å; E306-R362 VanDerWaalsContact OE2-CD 3.28Å; E306-R362 WeakPolarHBondContact OE2-CD 3.3Å; E306-R362 IonicContact OE2-CZ 3.87Å; E306-R362 IonicContact OE2-NE 3.71Å; E306-R362 PolarHBondContact OE2-NE 2.96Å; E306-G365 PolarHBondContact N-O 3.25Å; E306-G365 VanDerWaalsContact N-O 3.07Å; E306-G365 WeakPolarHBondContact O-CA 3.25Å
307	P	96.8	Very high	96.2	Very high	113 Å²	113	75.6 Å²	75.6	73%	0.734	40%	0.404	S	S	*	.			trans	-54.3	134.7	169.2	-24.5	35.1	0	0	0	111.1	E309	P307-E309 PolarHBondContact O-N 3.2Å
308	T	97.1	Very high	96.3	Very high	76 Å²	76	72.2 Å²	72.2	47%	0.466	39%	0.391	S	S	.	.			trans	-67.7	132.2	177.4	-62.2	0	0	0	0	110.8	E306 F364	E306-T308 PolarHBondContact O-N 2.91Å; T308-F364 HydrophobicContact CG2-CD1 3.81Å; T308-F364 HydrophobicContact CG2-CE1 4.47Å; T308-F364 HydrophobicContact CG2-CG 4.45Å; T308-F364 WeakPolarHBondContact OG1-CA 3.33Å; T308-F364 PolarHBondContact OG1-O 3.04Å
309	E	96.9	Very high	96.5	Very high	82 Å²	82	63.7 Å²	63.7	38%	0.383	36%	0.359	S	S	.	.			trans	-112.4	137.4	166.2	-67.2	177.7	-150.7	0	0	109.6	P307 D341 K344 R539	P307-E309 PolarHBondContact O-N 3.2Å; E309-D341 HydrophobicContact CB-CB 4.24Å; E309-D341 VanDerWaalsContact O-CA 3.28Å; E309-D341 WeakPolarHBondContact O-CA 3.25Å; E309-D341 WeakPolarHBondContact O-CB 3.35Å; E309-K344 IonicContact OE1-NZ 3.71Å; E309-K344 PolarHBondContact OE1-NZ 2.89Å; E309-K344 WeakPolarHBondContact OE2-CE 3.3Å; E309-K344 IonicContact OE2-NZ 2.72Å; E309-K344 PolarHBondContact OE2-NZ 2.69Å; E309-R539 PolarHBondContact O-NH2 2.73Å
310	A	97.6	Very high	96.7	Very high	74 Å²	74	61 Å²	61	61%	0.612	35%	0.348	S	S	*	.			trans	-66.7	150.3	171	0	0	0	0	0	110.6	G342	A310-G342 WeakPolarHBondContact O-CA 3.48Å; A310-G342 PolarHBondContact O-N 3.46Å; A310-G342 VanDerWaalsContact O-N 3.11Å
311	P	98	Very high	96.9	Very high	29 Å²	29	56.8 Å²	56.8	19%	0.188	33%	0.325	C	S	.	.			trans	-58.4	153.5	168	-18.5	31.4	0	0	0	110.9	F313 R338 V340	P311-F313 VanDerWaalsContact C-N 3.28Å; P311-F313 PolarHBondContact O-N 2.86Å; P311-R338 WeakPolarHBondContact CG-O 3.34Å; P311-V340 WeakPolarHBondContact CG-O 3.43Å
312	L	97.6	Very high	97	Very high	86 Å²	86	54 Å²	54	45%	0.45	31%	0.311	S	S	.	.	S	Bend	trans	-74.8	-20.8	178.7	-62.2	176.2	0	0	0	113.1	R31 S343	R31-L312 HydrophobicContact CB-CD1 4.35Å; R31-L312 HydrophobicContact CG-CD1 4.17Å; L312-S343 WeakPolarHBondContact CB-OG 3.35Å; L312-S343 PolarHBondContact N-OG 2.91Å
313	F	97.8	Very high	97.1	Very high	33 Å²	33	48.6 Å²	48.6	15%	0.145	29%	0.286	C	S	.	.	S	Bend	trans	-114.5	141	-175.1	-59.2	-83.5	0	0	0	110.6	L32 G33 S34 Q35 P311 A337 R338	L32-F313 WeakPolarHBondContact O-CE2 3.46Å; G33-F313 VanDerWaalsContact C-CZ 3.46Å; G33-F313 WeakPolarHBondContact O-CZ 3.41Å; S34-F313 WeakPolarHBondContact O-CE1 3.37Å; Q35-F313 HydrophobicContact CG-CE1 4.03Å; P311-F313 VanDerWaalsContact C-N 3.28Å; P311-F313 PolarHBondContact O-N 2.86Å; F313-A337 HydrophobicContact CD2-CB 4.29Å; F313-R338 HydrophobicContact CB-CG 3.69Å
314	P	97.4	Very high	97.1	Very high	65 Å²	65	49.9 Å²	49.9	42%	0.422	29%	0.292	S	S	.	.			trans	-58.1	142.8	174.2	-23.2	33.2	0	0	0	112.6	D316 E317	P314-D316 WeakPolarHBondContact CB-OD1 3.48Å; P314-E317 HydrophobicContact CB-CG 4.23Å; P314-E317 WeakPolarHBondContact O-CB 3.19Å; P314-E317 PolarHBondContact O-N 3.36Å
315	S	97.5	Very high	97	Very high	47 Å²	47	47.8 Å²	47.8	33%	0.329	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-74.3	-24.7	-178	57.3	0	0	0	0	113.6	E317 L318 A536	S315-E317 PolarHBondContact O-N 3.48Å; S315-L318 VanDerWaalsContact O-CB 3.27Å; S315-L318 WeakPolarHBondContact O-CB 3.31Å; S315-L318 WeakPolarHBondContact O-CD1 3.28Å; S315-L318 WeakPolarHBondContact O-CG 3.33Å; S315-L318 PolarHBondContact O-N 2.98Å; S315-A536 WeakPolarHBondContact CB-O 3.07Å; S315-A536 PolarHBondContact OG-O 3.35Å
316	D	96.9	Very high	96.7	Very high	62 Å²	62	46.7 Å²	46.7	33%	0.332	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-70.8	-17	177.6	69.3	-39.1	0	0	0	112.9	Y47 P314 L318 Y319	Y47-D316 WeakPolarHBondContact CE2-O 3.42Å; P314-D316 WeakPolarHBondContact CB-OD1 3.48Å; D316-L318 PolarHBondContact O-N 3.37Å; D316-Y319 HydrophobicContact CB-CE2 4.19Å; D316-Y319 WeakPolarHBondContact O-CB 3.35Å; D316-Y319 WeakPolarHBondContact O-CD2 3.26Å; D316-Y319 PolarHBondContact O-N 3.02Å; D316-Y319 VanDerWaalsContact O-N 3.15Å
317	E	97.9	Very high	96.4	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.037	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-61.6	-20.8	171.1	-67.9	-176.3	172	0	0	112.8	P36 K38 Y43 P314 S315 Y319 G320 I321 R338	P36-E317 WeakPolarHBondContact CD-OE2 3.49Å; P36-E317 HydrophobicContact CG-CB 4.47Å; P36-E317 HydrophobicContact CG-CG 4.37Å; K38-E317 WeakPolarHBondContact CE-OE1 3.36Å; K38-E317 IonicContact NZ-OE1 3.58Å; K38-E317 PolarHBondContact NZ-OE1 3.41Å; Y43-E317 WeakPolarHBondContact OH-CA 3.26Å; P314-E317 HydrophobicContact CB-CG 4.23Å; P314-E317 WeakPolarHBondContact O-CB 3.19Å; P314-E317 PolarHBondContact O-N 3.36Å; S315-E317 PolarHBondContact O-N 3.48Å; E317-Y319 PolarHBondContact O-N 3.46Å; E317-Y319 VanDerWaalsContact O-N 3.15Å; E317-G320 PolarHBondContact O-N 3.22Å; E317-I321 HydrophobicContact CB-CD1 4.2Å; E317-I321 WeakPolarHBondContact O-CD1 3.47Å; E317-I321 WeakPolarHBondContact O-CG1 3.4Å; E317-I321 PolarHBondContact O-N 3.01Å; E317-I321 VanDerWaalsContact O-N 3.17Å; E317-R338 IonicContact OE2-CZ 3.55Å; E317-R338 IonicContact OE2-NE 3.41Å; E317-R338 PolarHBondContact OE2-NE 3.43Å; E317-R338 IonicContact OE2-NH2 2.73Å; E317-R338 PolarHBondContact OE2-NH2 3.38Å
318	L	98.4	Very high	96.2	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-28.9	174.4	-68.2	175	0	0	0	112.6	S315 D316 I321 V322 V335 R338 W466 P535	S315-L318 VanDerWaalsContact O-CB 3.27Å; S315-L318 WeakPolarHBondContact O-CB 3.31Å; S315-L318 WeakPolarHBondContact O-CD1 3.28Å; S315-L318 WeakPolarHBondContact O-CG 3.33Å; S315-L318 PolarHBondContact O-N 2.98Å; D316-L318 PolarHBondContact O-N 3.37Å; L318-I321 PolarHBondContact O-N 3.15Å; L318-V322 PolarHBondContact O-N 3.27Å; L318-V322 VanDerWaalsContact O-N 3.11Å; L318-V335 HydrophobicContact CD2-CB 4.18Å; L318-V335 HydrophobicContact CD2-CG1 4.06Å; L318-V335 HydrophobicContact CD2-CG2 4.09Å; L318-R338 HydrophobicContact CD1-CB 4.46Å; L318-R338 HydrophobicContact CD2-CB 3.96Å; L318-R338 HydrophobicContact CD2-CG 4.44Å; L318-R338 HydrophobicContact CG-CB 4.17Å; L318-W466 HydrophobicContact CB-CH2 4.31Å; L318-W466 HydrophobicContact CD1-CH2 4.16Å; L318-W466 HydrophobicContact CD1-CZ2 4.2Å; L318-W466 HydrophobicContact CD2-CH2 4.24Å; L318-W466 HydrophobicContact CG-CH2 4.48Å; L318-P535 HydrophobicContact CB-CB 4.24Å; L318-P535 VanDerWaalsContact CD1-O 3.26Å; L318-P535 WeakPolarHBondContact CD1-O 3.35Å
319	Y	98.4	Very high	96	Very high	17 Å²	17	50.5 Å²	50.5	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-46	179.2	-57.8	-16.1	0	0	0	111.8	N46 Y47 M50 V54 D316 E317 G323 D534 P535 A536	N46-Y319 CarbonylContact C-O 3.55Å; N46-Y319 VanDerWaalsContact C-O 3.31Å; Y47-Y319 HydrophobicContact CD2-CD2 4.23Å; Y47-Y319 HydrophobicContact CD2-CG 4.45Å; Y47-Y319 AromaticContact CE2-CD2 3.73Å; Y47-Y319 HydrophobicContact CE2-CD2 3.73Å; Y47-Y319 HydrophobicContact CE2-CG 4.33Å; Y47-Y319 AromaticContact CZ-CD2 3.9Å; M50-Y319 HydrophobicContact CB-CG 4.41Å; M50-Y319 HydrophobicContact CG-CD1 3.67Å; M50-Y319 HydrophobicContact CG-CG 3.99Å; V54-Y319 HydrophobicContact CG2-CE1 4.17Å; D316-Y319 HydrophobicContact CB-CE2 4.19Å; D316-Y319 WeakPolarHBondContact O-CB 3.35Å; D316-Y319 WeakPolarHBondContact O-CD2 3.26Å; D316-Y319 PolarHBondContact O-N 3.02Å; D316-Y319 VanDerWaalsContact O-N 3.15Å; E317-Y319 PolarHBondContact O-N 3.46Å; E317-Y319 VanDerWaalsContact O-N 3.15Å; Y319-G323 WeakPolarHBondContact O-CA 2.93Å; Y319-G323 PolarHBondContact O-N 3.03Å; Y319-G323 VanDerWaalsContact O-N 3.11Å; Y319-D534 WeakPolarHBondContact CE1-OD1 3.38Å; Y319-D534 PolarHBondContact OH-OD1 2.7Å; Y319-D534 PolarHBondContact OH-OD2 2.78Å; Y319-P535 HydrophobicContact CD1-CB 4.18Å; Y319-P535 HydrophobicContact CD1-CG 4.33Å; Y319-P535 HydrophobicContact CE1-CB 4.05Å; Y319-P535 HydrophobicContact CE1-CG 4.24Å; Y319-A536 HydrophobicContact CE1-CB 4.07Å; Y319-A536 WeakPolarHBondContact OH-CB 3.49Å
320	G	97.6	Very high	96	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-80.4	-21.6	-179.6	0	0	0	0	0	114	Y43 N46 E317	Y43-G320 WeakPolarHBondContact O-CA 3.37Å; N46-G320 WeakPolarHBondContact CB-O 3.44Å; N46-G320 PolarHBondContact ND2-O 3.27Å; E317-G320 PolarHBondContact O-N 3.22Å
321	I	97.4	Very high	96	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-76.6	-46.5	178	-68.7	160.7	0	0	0	111.5	Y43 E317 L318 F330 E334	Y43-I321 HydrophobicContact CE2-CG1 4.45Å; E317-I321 HydrophobicContact CB-CD1 4.2Å; E317-I321 WeakPolarHBondContact O-CD1 3.47Å; E317-I321 WeakPolarHBondContact O-CG1 3.4Å; E317-I321 PolarHBondContact O-N 3.01Å; E317-I321 VanDerWaalsContact O-N 3.17Å; L318-I321 PolarHBondContact O-N 3.15Å; I321-F330 HydrophobicContact CG2-CB 4.5Å; I321-E334 HydrophobicContact CD1-CB 4.26Å; I321-E334 HydrophobicContact CG2-CB 3.88Å
322	V	97.1	Very high	96	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.048	24%	0.237	C	C	.	.	H	α-helix	trans	-96.9	-43.1	-172.4	178.8	0	0	0	0	112.1	L318 F330 V335 W466 N468	L318-V322 PolarHBondContact O-N 3.27Å; L318-V322 VanDerWaalsContact O-N 3.11Å; V322-F330 HydrophobicContact CB-CE1 4.37Å; V322-F330 HydrophobicContact CG1-CD1 4.25Å; V322-F330 HydrophobicContact CG1-CE1 3.72Å; V322-F330 HydrophobicContact CG1-CZ 3.98Å; V322-F330 HydrophobicContact CG2-CD1 4.36Å; V322-F330 HydrophobicContact CG2-CD2 4.01Å; V322-F330 HydrophobicContact CG2-CE1 4.17Å; V322-F330 HydrophobicContact CG2-CE2 3.81Å; V322-F330 HydrophobicContact CG2-CG 4.29Å; V322-F330 HydrophobicContact CG2-CZ 3.89Å; V322-V335 HydrophobicContact CG2-CG2 3.76Å; V322-W466 HydrophobicContact CB-CZ3 3.86Å; V322-W466 HydrophobicContact CG1-CE3 4.25Å; V322-W466 HydrophobicContact CG1-CZ3 3.89Å; V322-W466 HydrophobicContact CG2-CH2 4.22Å; V322-W466 HydrophobicContact CG2-CZ3 3.67Å; V322-N468 WeakPolarHBondContact CG1-ND2 3.34Å
323	G	95.3	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.			trans	58.6	-166.1	-177.9	0	0	0	0	0	114.5	M50 Y319 N468	M50-G323 WeakPolarHBondContact CE-O 3.37Å; Y319-G323 WeakPolarHBondContact O-CA 2.93Å; Y319-G323 PolarHBondContact O-N 3.03Å; Y319-G323 VanDerWaalsContact O-N 3.11Å; G323-N468 PolarHBondContact O-ND2 3.42Å
324	D	94.3	Very high	96.1	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.273	22%	0.223	S	C	.	.	S	Bend	trans	-101.5	-13.5	179.5	75.1	-25.2	0	0	0	114.1	R49 L53 L326 N468	R49-D324 HydrophobicContact CB-CB 4.29Å; R49-D324 WeakPolarHBondContact CD-OD1 3.29Å; R49-D324 WeakPolarHBondContact CD-OD2 3.42Å; R49-D324 IonicContact NH1-OD1 2.74Å; L53-D324 HydrophobicContact CD1-CB 3.73Å; D324-L326 PolarHBondContact O-N 3.01Å; D324-L326 VanDerWaalsContact O-N 3.16Å; D324-N468 HydrophobicContact CB-CB 4.45Å
325	N	93.8	Very high	96.1	Very high	49 Å²	49	40.8 Å²	40.8	26%	0.262	20%	0.203	S	C	.	.			trans	-84.3	95.3	-174.4	-173.2	-10.6	0	0	0	111.4	K327 R328	N325-K327 PolarHBondContact O-N 3.27Å; N325-K327 WeakPolarHBondContact OD1-CB 3.18Å; N325-K327 PolarHBondContact OD1-N 3.25Å; N325-R328 HydrophobicContact CB-CG 4.14Å; N325-R328 PolarHBondContact O-N 2.96Å
326	L	91.4	Very high	96.2	Very high	54 Å²	54	38.6 Å²	38.6	28%	0.283	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.7	179.1	-59.4	-178.2	0	0	0	115.1	D324 R470	D324-L326 PolarHBondContact O-N 3.01Å; D324-L326 VanDerWaalsContact O-N 3.16Å; L326-R470 HydrophobicContact CD1-CB 3.7Å; L326-R470 HydrophobicContact CD1-CG 3.41Å; L326-R470 VanDerWaalsContact CD1-CG 3.41Å
327	K	89.8	Confident	96.3	Very high	153 Å²	153	35.6 Å²	35.6	67%	0.665	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.9	174.3	-60.3	-177.1	179.2	-176.3	0	112.3	N325 E477	N325-K327 PolarHBondContact O-N 3.27Å; N325-K327 WeakPolarHBondContact OD1-CB 3.18Å; N325-K327 PolarHBondContact OD1-N 3.25Å; K327-E477 IonicContact NZ-OE1 3.63Å; K327-E477 PolarHBondContact NZ-OE1 3.39Å; K327-E477 IonicContact NZ-OE2 3.38Å; K327-E477 PolarHBondContact NZ-OE2 3.33Å
328	R	91.9	Very high	96.3	Very high	69 Å²	69	35.3 Å²	35.3	26%	0.26	17%	0.17	S	C	.	.	S	Bend	trans	-85.1	133.3	175.2	-70.3	-177.7	-179	165.5	-1.9	110	E45 N46 N325	E45-R328 IonicContact OE1-NH2 3.57Å; E45-R328 IonicContact OE2-CZ 3.84Å; E45-R328 VanDerWaalsContact OE2-CZ 3.25Å; E45-R328 IonicContact OE2-NH1 3.59Å; E45-R328 PolarHBondContact OE2-NH1 3.05Å; E45-R328 IonicContact OE2-NH2 2.84Å; E45-R328 PolarHBondContact OE2-NH2 3.4Å; N46-R328 PolarHBondContact OD1-NH1 2.65Å; N325-R328 HydrophobicContact CB-CG 4.14Å; N325-R328 PolarHBondContact O-N 2.96Å
329	N	93.1	Very high	96.3	Very high	148 Å²	148	35.3 Å²	35.3	79%	0.791	17%	0.17	S	C	*	.			trans	-84.3	143.5	173.5	-66.1	-30.8	0	0	0	109.4
330	F	96.1	Very high	96.3	Very high	33 Å²	33	34.5 Å²	34.5	15%	0.145	17%	0.167	C	C	.	.			trans	-135.9	157.2	168.6	64.5	-90.6	0	0	0	108.6	I321 V322 V332 V335 N374 N404 I442	I321-F330 HydrophobicContact CG2-CB 4.5Å; V322-F330 HydrophobicContact CB-CE1 4.37Å; V322-F330 HydrophobicContact CG1-CD1 4.25Å; V322-F330 HydrophobicContact CG1-CE1 3.72Å; V322-F330 HydrophobicContact CG1-CZ 3.98Å; V322-F330 HydrophobicContact CG2-CD1 4.36Å; V322-F330 HydrophobicContact CG2-CD2 4.01Å; V322-F330 HydrophobicContact CG2-CE1 4.17Å; V322-F330 HydrophobicContact CG2-CE2 3.81Å; V322-F330 HydrophobicContact CG2-CG 4.29Å; V322-F330 HydrophobicContact CG2-CZ 3.89Å; F330-V332 PolarHBondContact O-N 3.14Å; F330-V335 HydrophobicContact CD2-CG2 4.27Å; F330-V335 HydrophobicContact CE2-CG2 3.76Å; F330-N374 PolarHBondContact O-OD1 3.46Å; F330-N404 WeakPolarHBondContact CE1-ND2 3.41Å; F330-N404 HydrophobicContact CZ-CB 4.35Å; F330-I442 HydrophobicContact CE2-CD1 4.08Å; F330-I442 HydrophobicContact CZ-CD1 3.89Å; F330-I442 HydrophobicContact CZ-CG1 4.37Å
331	D	97.5	Very high	96.4	Very high	61 Å²	61	34.9 Å²	34.9	33%	0.326	17%	0.168	S	C	.	.			trans	-80.3	117.3	173.8	-169	-18	0	0	0	110.1	R333 E334 N374	D331-R333 PolarHBondContact O-N 3.25Å; D331-R333 VanDerWaalsContact O-N 3.09Å; D331-R333 VanDerWaalsContact OD1-CB 3.25Å; D331-R333 WeakPolarHBondContact OD1-CB 3.27Å; D331-R333 VanDerWaalsContact OD1-CG 3.28Å; D331-R333 WeakPolarHBondContact OD1-CG 3.24Å; D331-R333 PolarHBondContact OD1-N 3.05Å; D331-R333 IonicContact OD1-NH1 3Å; D331-R333 PolarHBondContact OD1-NH1 3.04Å; D331-R333 IonicContact OD2-NH1 3.46Å; D331-R333 PolarHBondContact OD2-NH1 3.01Å; D331-E334 HydrophobicContact CB-CG 4.45Å; D331-E334 WeakPolarHBondContact O-CB 3.38Å; D331-E334 PolarHBondContact O-N 2.9Å; D331-N374 WeakPolarHBondContact CA-OD1 3.39Å; D331-N374 PolarHBondContact OD1-OD1 3.15Å
332	V	98.4	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-21.5	178.3	70.4	0	0	0	0	112.9	F330 E334 V335 I336 V357 N373 N374 L402 I442	F330-V332 PolarHBondContact O-N 3.14Å; V332-E334 PolarHBondContact O-N 3.48Å; V332-V335 WeakPolarHBondContact O-CB 3.4Å; V332-V335 PolarHBondContact O-N 2.77Å; V332-I336 WeakPolarHBondContact O-CG1 3.46Å; V332-I336 PolarHBondContact O-N 3.47Å; V332-V357 HydrophobicContact CG1-CB 3.75Å; V332-V357 HydrophobicContact CG1-CG1 4.49Å; V332-V357 HydrophobicContact CG1-CG2 3.45Å; V332-V357 VanDerWaalsContact CG1-CG2 3.45Å; V332-N373 WeakPolarHBondContact CB-O 3.49Å; V332-N374 HydrophobicContact CG1-CB 4.06Å; V332-N374 PolarHBondContact N-OD1 3.28Å; V332-L402 HydrophobicContact CG2-CB 4.27Å; V332-L402 HydrophobicContact CG2-CD1 4.1Å; V332-I442 HydrophobicContact CG2-CD1 4.1Å
333	R	98.5	Very high	96.4	Very high	38 Å²	38	33.4 Å²	33.4	14%	0.143	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-30.8	172.5	-68.3	175.3	-171.5	79.2	-3.6	112.5	L32 D331 V335 I336 A337 E347 V357	L32-R333 HydrophobicContact CD1-CB 4.02Å; L32-R333 HydrophobicContact CD1-CG 4.21Å; L32-R333 HydrophobicContact CD2-CB 4.48Å; D331-R333 PolarHBondContact O-N 3.25Å; D331-R333 VanDerWaalsContact O-N 3.09Å; D331-R333 VanDerWaalsContact OD1-CB 3.25Å; D331-R333 WeakPolarHBondContact OD1-CB 3.27Å; D331-R333 VanDerWaalsContact OD1-CG 3.28Å; D331-R333 WeakPolarHBondContact OD1-CG 3.24Å; D331-R333 PolarHBondContact OD1-N 3.05Å; D331-R333 IonicContact OD1-NH1 3Å; D331-R333 PolarHBondContact OD1-NH1 3.04Å; D331-R333 IonicContact OD2-NH1 3.46Å; D331-R333 PolarHBondContact OD2-NH1 3.01Å; R333-V335 VanDerWaalsContact C-N 3.31Å; R333-I336 PolarHBondContact O-N 3.27Å; R333-A337 WeakPolarHBondContact O-CB 3.44Å; R333-A337 PolarHBondContact O-N 2.99Å; R333-E347 IonicContact CZ-OE1 3.49Å; R333-E347 IonicContact CZ-OE2 3.43Å; R333-E347 IonicContact NE-OE1 3.81Å; R333-E347 IonicContact NE-OE2 3.53Å; R333-E347 PolarHBondContact NE-OE2 3.39Å; R333-E347 IonicContact NH2-OE1 2.68Å; R333-E347 PolarHBondContact NH2-OE1 2.59Å; R333-E347 IonicContact NH2-OE2 2.84Å; R333-E347 PolarHBondContact NH2-OE2 3.26Å; R333-V357 HydrophobicContact CG-CG1 4.07Å; R333-V357 HydrophobicContact CG-CG2 4.4Å; R333-V357 VanDerWaalsContact CZ-CG2 3.46Å
334	E	98.4	Very high	96.5	Very high	33 Å²	33	36.2 Å²	36.2	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-31.8	175.9	-67.6	-62.7	155.4	0	0	111.8	G33 S34 I321 D331 V332 R338	G33-E334 WeakPolarHBondContact CA-OE2 3.38Å; S34-E334 PolarHBondContact N-OE1 3.31Å; S34-E334 VanDerWaalsContact N-OE1 3.08Å; S34-E334 PolarHBondContact N-OE2 3.02Å; S34-E334 VanDerWaalsContact N-OE2 3.09Å; S34-E334 VanDerWaalsContact OG-CD 3.29Å; S34-E334 PolarHBondContact OG-OE1 3Å; I321-E334 HydrophobicContact CD1-CB 4.26Å; I321-E334 HydrophobicContact CG2-CB 3.88Å; D331-E334 HydrophobicContact CB-CG 4.45Å; D331-E334 WeakPolarHBondContact O-CB 3.38Å; D331-E334 PolarHBondContact O-N 2.9Å; V332-E334 PolarHBondContact O-N 3.48Å; E334-R338 WeakPolarHBondContact O-CD 3.37Å; E334-R338 PolarHBondContact O-NH1 3.35Å; E334-R338 IonicContact OE2-CZ 3.2Å; E334-R338 IonicContact OE2-NH1 2.67Å; E334-R338 PolarHBondContact OE2-NH1 3.34Å; E334-R338 IonicContact OE2-NH2 2.8Å
335	V	98.7	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.8	-47.4	171.1	-179.3	0	0	0	0	110.2	L318 V322 F330 V332 R333 A337 R338 I339 L402 I442 W466	L318-V335 HydrophobicContact CD2-CB 4.18Å; L318-V335 HydrophobicContact CD2-CG1 4.06Å; L318-V335 HydrophobicContact CD2-CG2 4.09Å; V322-V335 HydrophobicContact CG2-CG2 3.76Å; F330-V335 HydrophobicContact CD2-CG2 4.27Å; F330-V335 HydrophobicContact CE2-CG2 3.76Å; V332-V335 WeakPolarHBondContact O-CB 3.4Å; V332-V335 PolarHBondContact O-N 2.77Å; R333-V335 VanDerWaalsContact C-N 3.31Å; V335-A337 VanDerWaalsContact C-N 3.29Å; V335-A337 PolarHBondContact O-N 3.39Å; V335-R338 PolarHBondContact O-N 3.34Å; V335-R338 VanDerWaalsContact O-N 3.11Å; V335-I339 PolarHBondContact O-N 2.92Å; V335-L402 HydrophobicContact CG1-CD1 4.32Å; V335-I442 HydrophobicContact CG1-CD1 4.44Å; V335-I442 HydrophobicContact CG2-CD1 4.27Å; V335-W466 HydrophobicContact CG1-CH2 4.03Å; V335-W466 HydrophobicContact CG1-CZ2 4.3Å; V335-W466 HydrophobicContact CG2-CH2 4.41Å
336	I	98.8	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-45.7	178.5	-64.4	171.6	0	0	0	110.6	L32 V332 R333 R338 I339 V340 F345 V357 I370 L402	L32-I336 HydrophobicContact CD1-CB 4.22Å; L32-I336 HydrophobicContact CD1-CG2 3.92Å; V332-I336 WeakPolarHBondContact O-CG1 3.46Å; V332-I336 PolarHBondContact O-N 3.47Å; R333-I336 PolarHBondContact O-N 3.27Å; I336-R338 PolarHBondContact O-N 3.2Å; I336-R338 VanDerWaalsContact O-N 3.09Å; I336-I339 WeakPolarHBondContact O-CG1 3.39Å; I336-I339 PolarHBondContact O-N 3.2Å; I336-I339 VanDerWaalsContact O-N 3.09Å; I336-V340 HydrophobicContact CG2-CG1 3.84Å; I336-V340 HydrophobicContact CG2-CG2 4.23Å; I336-V340 WeakPolarHBondContact O-CG2 3.31Å; I336-V340 PolarHBondContact O-N 2.88Å; I336-V340 VanDerWaalsContact O-N 3.11Å; I336-F345 HydrophobicContact CD1-CE1 4.44Å; I336-F345 HydrophobicContact CD1-CE2 4.21Å; I336-F345 HydrophobicContact CD1-CZ 3.99Å; I336-F345 HydrophobicContact CG2-CB 4.44Å; I336-F345 HydrophobicContact CG2-CD2 3.7Å; I336-F345 HydrophobicContact CG2-CE2 4.06Å; I336-F345 HydrophobicContact CG2-CG 4.1Å; I336-V357 HydrophobicContact CD1-CG1 4.09Å; I336-I370 HydrophobicContact CD1-CG2 3.99Å; I336-I370 HydrophobicContact CG1-CG2 4.15Å; I336-I370 HydrophobicContact CG2-CD1 4.02Å; I336-L402 HydrophobicContact CG1-CD1 3.8Å
337	A	98.6	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-26.7	-179.6	0	0	0	0	0	113.9	L32 F313 R333 V335 S343	L32-A337 HydrophobicContact CB-CB 3.85Å; F313-A337 HydrophobicContact CD2-CB 4.29Å; R333-A337 WeakPolarHBondContact O-CB 3.44Å; R333-A337 PolarHBondContact O-N 2.99Å; V335-A337 VanDerWaalsContact C-N 3.29Å; V335-A337 PolarHBondContact O-N 3.39Å; A337-S343 VanDerWaalsContact O-CB 3.31Å; A337-S343 WeakPolarHBondContact O-CB 3.44Å; A337-S343 PolarHBondContact O-OG 2.95Å
338	R	98.6	Very high	97.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-95.7	-9.2	-177.8	-74.9	158.9	-176.6	80.9	2.8	113.9	S34 P311 F313 E317 L318 E334 V335 I336	S34-R338 PolarHBondContact O-NH2 2.95Å; P311-R338 WeakPolarHBondContact CG-O 3.34Å; F313-R338 HydrophobicContact CB-CG 3.69Å; E317-R338 IonicContact OE2-CZ 3.55Å; E317-R338 IonicContact OE2-NE 3.41Å; E317-R338 PolarHBondContact OE2-NE 3.43Å; E317-R338 IonicContact OE2-NH2 2.73Å; E317-R338 PolarHBondContact OE2-NH2 3.38Å; L318-R338 HydrophobicContact CD1-CB 4.46Å; L318-R338 HydrophobicContact CD2-CB 3.96Å; L318-R338 HydrophobicContact CD2-CG 4.44Å; L318-R338 HydrophobicContact CG-CB 4.17Å; E334-R338 WeakPolarHBondContact O-CD 3.37Å; E334-R338 PolarHBondContact O-NH1 3.35Å; E334-R338 IonicContact OE2-CZ 3.2Å; E334-R338 IonicContact OE2-NH1 2.67Å; E334-R338 PolarHBondContact OE2-NH1 3.34Å; E334-R338 IonicContact OE2-NH2 2.8Å; V335-R338 PolarHBondContact O-N 3.34Å; V335-R338 VanDerWaalsContact O-N 3.11Å; I336-R338 PolarHBondContact O-N 3.2Å; I336-R338 VanDerWaalsContact O-N 3.09Å
339	I	98.6	Very high	97.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-111.6	-20.8	-179.8	67.8	175.8	0	0	0	113.7	V335 I336 L402 T538 R539 L542	V335-I339 PolarHBondContact O-N 2.92Å; I336-I339 WeakPolarHBondContact O-CG1 3.39Å; I336-I339 PolarHBondContact O-N 3.2Å; I336-I339 VanDerWaalsContact O-N 3.09Å; I339-L402 HydrophobicContact CD1-CD1 4.18Å; I339-L402 HydrophobicContact CD1-CD2 4.33Å; I339-T538 HydrophobicContact CG2-CG2 4.04Å; I339-R539 HydrophobicContact CB-CB 4.3Å; I339-R539 HydrophobicContact CG2-CB 4.47Å; I339-R539 WeakPolarHBondContact O-CD 3.46Å; I339-R539 WeakPolarHBondContact O-CG 3.33Å; I339-R539 PolarHBondContact O-NH1 3.28Å; I339-L542 HydrophobicContact CD1-CD1 4.23Å
340	V	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-98.3	155.1	-176.5	-54.1	0	0	0	0	114.6	P311 I336 G342 S343 K344 S361 R362 I363 I370 R539	P311-V340 WeakPolarHBondContact CG-O 3.43Å; I336-V340 HydrophobicContact CG2-CG1 3.84Å; I336-V340 HydrophobicContact CG2-CG2 4.23Å; I336-V340 WeakPolarHBondContact O-CG2 3.31Å; I336-V340 PolarHBondContact O-N 2.88Å; I336-V340 VanDerWaalsContact O-N 3.11Å; V340-G342 PolarHBondContact O-N 2.89Å; V340-S343 PolarHBondContact O-N 3.38Å; V340-S343 VanDerWaalsContact O-N 3.16Å; V340-K344 WeakPolarHBondContact CG2-O 3.38Å; V340-S361 WeakPolarHBondContact CB-OG 3.19Å; V340-S361 WeakPolarHBondContact CG1-OG 3.36Å; V340-S361 WeakPolarHBondContact CG2-OG 3.3Å; V340-R362 WeakPolarHBondContact CA-O 3.45Å; V340-I363 HydrophobicContact CG1-CG1 4.26Å; V340-I370 HydrophobicContact CG1-CD1 3.47Å; V340-I370 VanDerWaalsContact CG1-CD1 3.47Å; V340-R539 VanDerWaalsContact C-NH1 3.31Å
341	D	98.4	Very high	98.1	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.048	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-61.4	125.6	-176.8	-71.8	11.2	0	0	0	111.8	E309 S343 K344 R362 I363 F364 G365 R539	E309-D341 HydrophobicContact CB-CB 4.24Å; E309-D341 VanDerWaalsContact O-CA 3.28Å; E309-D341 WeakPolarHBondContact O-CA 3.25Å; E309-D341 WeakPolarHBondContact O-CB 3.35Å; D341-S343 PolarHBondContact O-N 2.89Å; D341-K344 PolarHBondContact O-N 2.73Å; D341-R362 HydrophobicContact CB-CB 4.12Å; D341-R362 WeakPolarHBondContact CB-O 3.48Å; D341-R362 PolarHBondContact N-O 2.72Å; D341-I363 WeakPolarHBondContact OD1-CA 3.39Å; D341-F364 PolarHBondContact OD1-N 2.95Å; D341-F364 PolarHBondContact OD2-N 2.56Å; D341-G365 PolarHBondContact OD2-N 2.84Å; D341-R539 IonicContact OD1-CZ 3.65Å; D341-R539 IonicContact OD1-NH1 2.76Å; D341-R539 PolarHBondContact OD1-NH1 2.83Å; D341-R539 IonicContact OD1-NH2 3.52Å; D341-R539 PolarHBondContact OD1-NH2 3.5Å
342	G	97.6	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	58.1	17	-178.5	0	0	0	0	0	114.4	A310 V340 K344	A310-G342 WeakPolarHBondContact O-CA 3.48Å; A310-G342 PolarHBondContact O-N 3.46Å; A310-G342 VanDerWaalsContact O-N 3.11Å; V340-G342 PolarHBondContact O-N 2.89Å; G342-K344 PolarHBondContact O-N 3.32Å; G342-K344 VanDerWaalsContact O-N 3.12Å
343	S	98.1	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	52.5	26.8	-170.2	-52.2	0	0	0	0	113.2	R31 L32 L312 A337 V340 D341	R31-S343 CarbonylContact C-O 3.56Å; R31-S343 WeakPolarHBondContact CA-O 3.42Å; L32-S343 PolarHBondContact N-O 3.02Å; L312-S343 WeakPolarHBondContact CB-OG 3.35Å; L312-S343 PolarHBondContact N-OG 2.91Å; A337-S343 VanDerWaalsContact O-CB 3.31Å; A337-S343 WeakPolarHBondContact O-CB 3.44Å; A337-S343 PolarHBondContact O-OG 2.95Å; V340-S343 PolarHBondContact O-N 3.38Å; V340-S343 VanDerWaalsContact O-N 3.16Å; D341-S343 PolarHBondContact O-N 2.89Å
344	K	97.8	Very high	98	Very high	58 Å²	58	38.3 Å²	38.3	25%	0.252	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-83.6	130	-177.6	-61.8	175.2	-165.7	165.4	0	110.3	V29 A30 R31 E309 V340 D341 G342 S361	V29-K344 HydrophobicContact CB-CB 4.23Å; V29-K344 HydrophobicContact CG1-CB 3.93Å; A30-K344 CarbonylContact O-C 3.59Å; A30-K344 WeakPolarHBondContact O-CA 3.48Å; R31-K344 HydrophobicContact CG-CG 4.43Å; E309-K344 IonicContact OE1-NZ 3.71Å; E309-K344 PolarHBondContact OE1-NZ 2.89Å; E309-K344 WeakPolarHBondContact OE2-CE 3.3Å; E309-K344 IonicContact OE2-NZ 2.72Å; E309-K344 PolarHBondContact OE2-NZ 2.69Å; V340-K344 WeakPolarHBondContact CG2-O 3.38Å; D341-K344 PolarHBondContact O-N 2.73Å; G342-K344 PolarHBondContact O-N 3.32Å; G342-K344 VanDerWaalsContact O-N 3.12Å; K344-S361 WeakPolarHBondContact O-CB 3.35Å; K344-S361 PolarHBondContact O-OG 2.81Å
345	F	98	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.183	C	C	.	.			trans	-145.6	122.2	177.5	-172.3	-111.4	0	0	0	110.5	A30 L32 I336 E347 V357 G359 I370	A30-F345 PolarHBondContact O-N 3.41Å; L32-F345 HydrophobicContact CD1-CB 3.34Å; L32-F345 HydrophobicContact CD1-CD1 3.51Å; L32-F345 HydrophobicContact CD1-CE1 4.37Å; L32-F345 HydrophobicContact CD1-CG 3.56Å; L32-F345 HydrophobicContact CG-CB 3.62Å; L32-F345 HydrophobicContact CG-CD1 4.26Å; L32-F345 HydrophobicContact CG-CG 4.3Å; I336-F345 HydrophobicContact CD1-CE1 4.44Å; I336-F345 HydrophobicContact CD1-CE2 4.21Å; I336-F345 HydrophobicContact CD1-CZ 3.99Å; I336-F345 HydrophobicContact CG2-CB 4.44Å; I336-F345 HydrophobicContact CG2-CD2 3.7Å; I336-F345 HydrophobicContact CG2-CE2 4.06Å; I336-F345 HydrophobicContact CG2-CG 4.1Å; F345-E347 HydrophobicContact CD1-CB 3.87Å; F345-E347 HydrophobicContact CD1-CG 4.44Å; F345-E347 HydrophobicContact CE1-CB 3.79Å; F345-E347 HydrophobicContact CE1-CG 3.89Å; F345-E347 PolarHBondContact O-N 3.46Å; F345-V357 HydrophobicContact CE1-CG1 3.76Å; F345-V357 HydrophobicContact CZ-CG1 4.01Å; F345-G359 VanDerWaalsContact CE2-C 3.46Å; F345-G359 WeakPolarHBondContact CE2-O 3.3Å; F345-G359 VanDerWaalsContact CZ-N 3.31Å; F345-I370 HydrophobicContact CE2-CB 4.03Å; F345-I370 HydrophobicContact CE2-CD1 4.25Å; F345-I370 HydrophobicContact CE2-CG1 4.45Å
346	D	97.3	Very high	97.9	Very high	96 Å²	96	37.5 Å²	37.5	51%	0.513	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	95	173.8	-175	24.4	0	0	0	109.2	V29 F348 G359 F360	V29-D346 HydrophobicContact CG1-CB 4.22Å; D346-F348 PolarHBondContact O-N 2.92Å; D346-G359 CarbonylContact O-C 3.57Å; D346-G359 WeakPolarHBondContact O-CA 3.48Å; D346-F360 HydrophobicContact CB-CB 4.5Å; D346-F360 PolarHBondContact N-O 3.04Å; D346-F360 PolarHBondContact O-N 3.48Å
347	E	98.1	Very high	97.9	Very high	44 Å²	44	37.5 Å²	37.5	21%	0.206	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119	-173.2	-170.6	170.6	172.4	0	0	112	R333 F345 A350	R333-E347 IonicContact CZ-OE1 3.49Å; R333-E347 IonicContact CZ-OE2 3.43Å; R333-E347 IonicContact NE-OE1 3.81Å; R333-E347 IonicContact NE-OE2 3.53Å; R333-E347 PolarHBondContact NE-OE2 3.39Å; R333-E347 IonicContact NH2-OE1 2.68Å; R333-E347 PolarHBondContact NH2-OE1 2.59Å; R333-E347 IonicContact NH2-OE2 2.84Å; R333-E347 PolarHBondContact NH2-OE2 3.26Å; F345-E347 HydrophobicContact CD1-CB 3.87Å; F345-E347 HydrophobicContact CD1-CG 4.44Å; F345-E347 HydrophobicContact CE1-CB 3.79Å; F345-E347 HydrophobicContact CE1-CG 3.89Å; F345-E347 PolarHBondContact O-N 3.46Å; E347-A350 HydrophobicContact CB-CB 4.32Å; E347-A350 HydrophobicContact CG-CB 3.88Å
348	F	98.4	Very high	98	Very high	41 Å²	41	37.5 Å²	37.5	18%	0.18	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.5	175.4	177.9	-108	0	0	0	110.8	D346 A350 T358 K384 H387 F388 L391	D346-F348 PolarHBondContact O-N 2.92Å; F348-A350 VanDerWaalsContact C-N 3.32Å; F348-A350 PolarHBondContact O-N 3.39Å; F348-T358 WeakPolarHBondContact CD1-OG1 3.38Å; F348-T358 PolarHBondContact N-O 3.5Å; F348-T358 PolarHBondContact O-OG1 3.44Å; F348-K384 WeakPolarHBondContact O-CE 3.35Å; F348-H387 AromaticContact CZ-CE1 3.77Å; F348-H387 AromaticContact CZ-CG 3.94Å; F348-H387 AromaticContact CZ-ND1 3.66Å; F348-F388 HydrophobicContact CB-CD2 3.77Å; F348-F388 HydrophobicContact CB-CE2 3.92Å; F348-F388 HydrophobicContact CD1-CB 3.92Å; F348-F388 AromaticContact CD1-CD2 3.56Å; F348-F388 HydrophobicContact CD1-CD2 3.56Å; F348-F388 HydrophobicContact CD1-CG 4.13Å; F348-F388 HydrophobicContact CE1-CB 4.04Å; F348-F388 HydrophobicContact CE1-CD2 4.26Å; F348-F388 AromaticContact CG-CD2 3.75Å; F348-F388 HydrophobicContact CG-CD2 3.75Å; F348-F388 HydrophobicContact CG-CE2 4.34Å; F348-L391 HydrophobicContact CD2-CD1 4.23Å; F348-L391 HydrophobicContact CE1-CD1 4.42Å; F348-L391 HydrophobicContact CE2-CD1 3.64Å; F348-L391 HydrophobicContact CZ-CD1 3.73Å
349	K	98.2	Very high	98	Very high	76 Å²	76	37.4 Å²	37.4	33%	0.33	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	49.2	179.2	-72.7	-170.7	173.1	-163.6	0	112.6	F351 Y352 K384	K349-F351 PolarHBondContact O-N 2.95Å; K349-F351 VanDerWaalsContact O-N 3.1Å; K349-Y352 HydrophobicContact CD-CD1 3.99Å; K349-Y352 PolarHBondContact O-N 3.49Å; K349-Y352 VanDerWaalsContact O-N 3.12Å; K349-Y352 VanDerWaalsContact O-O 3.09Å; K349-K384 HydrophobicContact CB-CD 3.87Å; K349-K384 HydrophobicContact CB-CG 4.23Å; K349-K384 HydrophobicContact CD-CB 4.35Å; K349-K384 HydrophobicContact CD-CG 4.21Å; K349-K384 WeakPolarHBondContact O-CE 3.48Å; K349-K384 PolarHBondContact O-NZ 3.02Å
350	A	96.6	Very high	98	Very high	31 Å²	31	38.9 Å²	38.9	26%	0.256	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.8	-176.5	0	0	0	0	0	114	E347 F348	E347-A350 HydrophobicContact CB-CB 4.32Å; E347-A350 HydrophobicContact CG-CB 3.88Å; F348-A350 VanDerWaalsContact C-N 3.32Å; F348-A350 PolarHBondContact O-N 3.39Å
351	F	97.1	Very high	98	Very high	212 Å²	212	39.6 Å²	39.6	93%	0.93	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	20.7	-177.2	-53.5	-69.4	0	0	0	114.4	K349	K349-F351 PolarHBondContact O-N 2.95Å; K349-F351 VanDerWaalsContact O-N 3.1Å
352	Y	98.1	Very high	98	Very high	86 Å²	86	40.8 Å²	40.8	34%	0.337	20%	0.198	S	C	.	.	S	Bend	trans	-139.2	127.2	178.6	179.8	-94.4	0	0	0	110.2	K349 E380 K383 K384	K349-Y352 HydrophobicContact CD-CD1 3.99Å; K349-Y352 PolarHBondContact O-N 3.49Å; K349-Y352 VanDerWaalsContact O-N 3.12Å; K349-Y352 VanDerWaalsContact O-O 3.09Å; Y352-E380 HydrophobicContact CD1-CB 4.45Å; Y352-E380 HydrophobicContact CE1-CB 3.86Å; Y352-E380 HydrophobicContact CE1-CG 4.44Å; Y352-E380 VanDerWaalsContact CE1-O 3.31Å; Y352-E380 WeakPolarHBondContact CE1-O 3.38Å; Y352-E380 HydrophobicContact CE2-CB 4.07Å; Y352-E380 HydrophobicContact CE2-CG 3.79Å; Y352-K383 WeakPolarHBondContact OH-CE 3.24Å; Y352-K384 HydrophobicContact CD1-CB 4.2Å; Y352-K384 HydrophobicContact CE1-CB 4.4Å; Y352-K384 WeakPolarHBondContact O-CD 3.24Å; Y352-K384 PolarHBondContact O-NZ 3.5Å; Y352-K384 VanDerWaalsContact O-NZ 3.15Å
353	G	96.9	Very high	98	Very high	11 Å²	11	40.8 Å²	40.8	11%	0.113	20%	0.197	C	C	.	.	S	Bend	trans	56.9	57.8	-176.3	0	0	0	0	0	111.9	T355 L356 K384	G353-T355 PolarHBondContact O-N 2.93Å; G353-L356 PolarHBondContact O-N 3.2Å; G353-L356 VanDerWaalsContact O-N 3.09Å; G353-L356 VanDerWaalsContact O-O 3.07Å; G353-K384 PolarHBondContact O-NZ 2.84Å
354	D	96.5	Very high	98	Very high	103 Å²	103	44 Å²	44	55%	0.551	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.3	-173.2	59.3	-12.2	0	0	0	114.5	L356	D354-L356 PolarHBondContact O-N 3.5Å
355	T	97.9	Very high	98	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.092	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-6.3	171.5	67.7	0	0	0	0	114.4	G353 N374 V376 F378 S381	G353-T355 PolarHBondContact O-N 2.93Å; T355-N374 PolarHBondContact O-N 2.87Å; T355-V376 WeakPolarHBondContact CB-O 3.16Å; T355-V376 WeakPolarHBondContact CG2-O 3.23Å; T355-V376 PolarHBondContact OG1-O 2.75Å; T355-F378 HydrophobicContact CG2-CD2 3.91Å; T355-F378 HydrophobicContact CG2-CE2 3.74Å; T355-S381 PolarHBondContact OG1-OG 3.25Å
356	L	98.6	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	107.7	171.6	-170.3	71.9	0	0	0	109.6	G353 D354 T358 I371 L377 S381 K384 M426 M453	G353-L356 PolarHBondContact O-N 3.2Å; G353-L356 VanDerWaalsContact O-N 3.09Å; G353-L356 VanDerWaalsContact O-O 3.07Å; D354-L356 PolarHBondContact O-N 3.5Å; L356-T358 HydrophobicContact CD2-CG2 4.26Å; L356-T358 HydrophobicContact CG-CG2 4.24Å; L356-I371 HydrophobicContact CD1-CG2 3.55Å; L356-I371 HydrophobicContact CD2-CG2 3.97Å; L356-I371 HydrophobicContact CG-CG2 3.88Å; L356-L377 HydrophobicContact CB-CD2 4.27Å; L356-L377 HydrophobicContact CD1-CD2 3.97Å; L356-L377 HydrophobicContact CD2-CD2 4.45Å; L356-L377 HydrophobicContact CG-CD2 4.48Å; L356-S381 WeakPolarHBondContact CD2-O 3.31Å; L356-K384 WeakPolarHBondContact O-CE 3.34Å; L356-K384 PolarHBondContact O-NZ 2.98Å; L356-M426 HydrophobicContact CD2-CE 3.87Å; L356-M453 HydrophobicContact CD1-CE 4.1Å; L356-M453 HydrophobicContact CD1-SD 3.77Å
357	V	98.8	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.8	175.7	-178	0	0	0	0	108.5	V332 R333 I336 F345 I371 G372 N374	V332-V357 HydrophobicContact CG1-CB 3.75Å; V332-V357 HydrophobicContact CG1-CG1 4.49Å; V332-V357 HydrophobicContact CG1-CG2 3.45Å; V332-V357 VanDerWaalsContact CG1-CG2 3.45Å; R333-V357 HydrophobicContact CG-CG1 4.07Å; R333-V357 HydrophobicContact CG-CG2 4.4Å; R333-V357 VanDerWaalsContact CZ-CG2 3.46Å; I336-V357 HydrophobicContact CD1-CG1 4.09Å; F345-V357 HydrophobicContact CE1-CG1 3.76Å; F345-V357 HydrophobicContact CZ-CG1 4.01Å; V357-I371 CarbonylContact O-C 3.57Å; V357-I371 WeakPolarHBondContact O-CA 3.36Å; V357-G372 PolarHBondContact N-O 2.83Å; V357-G372 PolarHBondContact O-N 2.8Å; V357-N374 HydrophobicContact CG2-CB 4.01Å
358	T	98.9	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.9	177.4	57.7	0	0	0	0	109.9	F348 L356 I370 I371 K384 F388	F348-T358 WeakPolarHBondContact CD1-OG1 3.38Å; F348-T358 PolarHBondContact N-O 3.5Å; F348-T358 PolarHBondContact O-OG1 3.44Å; L356-T358 HydrophobicContact CD2-CG2 4.26Å; L356-T358 HydrophobicContact CG-CG2 4.24Å; T358-I370 VanDerWaalsContact CA-O 3.25Å; T358-I370 WeakPolarHBondContact CA-O 3.39Å; T358-I371 HydrophobicContact CG2-CG1 4.24Å; T358-I371 HydrophobicContact CG2-CG2 4.15Å; T358-K384 HydrophobicContact CG2-CG 4.14Å; T358-K384 WeakPolarHBondContact OG1-CE 3.4Å; T358-F388 HydrophobicContact CG2-CB 4.11Å; T358-F388 HydrophobicContact CG2-CD1 4.01Å; T358-F388 HydrophobicContact CG2-CG 4.07Å
359	G	98.6	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	169.1	176.9	0	0	0	0	0	114	F345 D346 I370 F388	F345-G359 VanDerWaalsContact CE2-C 3.46Å; F345-G359 WeakPolarHBondContact CE2-O 3.3Å; F345-G359 VanDerWaalsContact CZ-N 3.31Å; D346-G359 CarbonylContact O-C 3.57Å; D346-G359 WeakPolarHBondContact O-CA 3.48Å; G359-I370 PolarHBondContact N-O 3.29Å; G359-I370 VanDerWaalsContact N-O 3.1Å; G359-I370 PolarHBondContact O-N 3.45Å; G359-F388 VanDerWaalsContact C-CZ 3.48Å; G359-F388 VanDerWaalsContact O-CZ 3.26Å; G359-F388 WeakPolarHBondContact O-CZ 3.32Å
360	F	98.7	Very high	98.2	Very high	32 Å²	32	31.3 Å²	31.3	14%	0.14	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.7	-177.9	-60.5	-74	0	0	0	111.3	D346 V368 F388 L391 I397	D346-F360 HydrophobicContact CB-CB 4.5Å; D346-F360 PolarHBondContact N-O 3.04Å; D346-F360 PolarHBondContact O-N 3.48Å; F360-V368 WeakPolarHBondContact CA-O 3.34Å; F360-F388 HydrophobicContact CD1-CE2 4.2Å; F360-F388 HydrophobicContact CD1-CZ 4.08Å; F360-F388 HydrophobicContact CD2-CE2 4.07Å; F360-F388 AromaticContact CE1-CE2 3.78Å; F360-F388 HydrophobicContact CE1-CE2 3.78Å; F360-F388 AromaticContact CE1-CZ 3.89Å; F360-F388 HydrophobicContact CE1-CZ 3.89Å; F360-F388 HydrophobicContact CE2-CD2 4.44Å; F360-F388 AromaticContact CE2-CE2 3.63Å; F360-F388 HydrophobicContact CE2-CE2 3.63Å; F360-F388 HydrophobicContact CE2-CZ 4.44Å; F360-F388 HydrophobicContact CG-CE2 4.34Å; F360-F388 HydrophobicContact CG-CZ 4.44Å; F360-F388 HydrophobicContact CZ-CD2 4.21Å; F360-F388 AromaticContact CZ-CE2 3.47Å; F360-F388 HydrophobicContact CZ-CE2 3.47Å; F360-F388 VanDerWaalsContact CZ-CE2 3.47Å; F360-F388 HydrophobicContact CZ-CZ 4.08Å; F360-L391 HydrophobicContact CZ-CB 4.29Å; F360-I397 HydrophobicContact CD1-CD1 3.88Å; F360-I397 HydrophobicContact CE1-CD1 3.73Å
361	S	98.4	Very high	98.3	Very high	15 Å²	15	29.8 Å²	29.8	11%	0.105	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-168.9	175.4	-166.2	0	0	0	0	111.4	V340 K344 V368	V340-S361 WeakPolarHBondContact CB-OG 3.19Å; V340-S361 WeakPolarHBondContact CG1-OG 3.36Å; V340-S361 WeakPolarHBondContact CG2-OG 3.3Å; K344-S361 WeakPolarHBondContact O-CB 3.35Å; K344-S361 PolarHBondContact O-OG 2.81Å; S361-V368 PolarHBondContact N-O 2.89Å; S361-V368 WeakPolarHBondContact O-CG2 3.45Å; S361-V368 PolarHBondContact O-N 3.25Å
362	R	98.6	Very high	98.4	Very high	35 Å²	35	19.7 Å²	19.7	13%	0.132	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.2	172.6	-64.9	-174.3	171.9	-82.7	3.4	112	T304 E306 V340 D341 G365 Y366	T304-R362 PolarHBondContact O-NH1 2.88Å; T304-R362 PolarHBondContact OG1-NH2 2.83Å; E306-R362 VanDerWaalsContact CD-NH2 3.28Å; E306-R362 IonicContact OE1-CZ 3.96Å; E306-R362 IonicContact OE1-NE 3.88Å; E306-R362 PolarHBondContact OE1-NE 3.32Å; E306-R362 IonicContact OE1-NH2 2.95Å; E306-R362 PolarHBondContact OE1-NH2 3.4Å; E306-R362 VanDerWaalsContact OE2-CD 3.28Å; E306-R362 WeakPolarHBondContact OE2-CD 3.3Å; E306-R362 IonicContact OE2-CZ 3.87Å; E306-R362 IonicContact OE2-NE 3.71Å; E306-R362 PolarHBondContact OE2-NE 2.96Å; V340-R362 WeakPolarHBondContact CA-O 3.45Å; D341-R362 HydrophobicContact CB-CB 4.12Å; D341-R362 WeakPolarHBondContact CB-O 3.48Å; D341-R362 PolarHBondContact N-O 2.72Å; R362-G365 PolarHBondContact NH1-O 2.86Å; R362-Y366 CarbonylContact C-O 3.32Å; R362-Y366 WeakPolarHBondContact CA-O 3.41Å; R362-Y366 WeakPolarHBondContact CB-O 2.98Å
363	I	98.7	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.4	170.7	-65.1	-178.1	0	0	0	107.4	V340 D341 G365 Y366 V368 I400 L542 L546	V340-I363 HydrophobicContact CG1-CG1 4.26Å; D341-I363 WeakPolarHBondContact OD1-CA 3.39Å; I363-G365 PolarHBondContact O-N 2.95Å; I363-Y366 PolarHBondContact N-O 2.63Å; I363-Y366 WeakPolarHBondContact O-CB 3.15Å; I363-Y366 VanDerWaalsContact O-CD2 3.31Å; I363-Y366 WeakPolarHBondContact O-CD2 3.41Å; I363-Y366 PolarHBondContact O-N 3.08Å; I363-V368 HydrophobicContact CD1-CG2 4.41Å; I363-V368 HydrophobicContact CG1-CG2 4.16Å; I363-I400 HydrophobicContact CD1-CD1 3.45Å; I363-I400 VanDerWaalsContact CD1-CD1 3.45Å; I363-L542 HydrophobicContact CD1-CB 4.36Å; I363-L542 HydrophobicContact CD1-CD1 4.04Å; I363-L546 HydrophobicContact CB-CD1 3.89Å; I363-L546 HydrophobicContact CG2-CD1 4.03Å
364	F	98.5	Very high	98.4	Very high	69 Å²	69	17.6 Å²	17.6	30%	0.303	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	39.8	-173.3	-70.1	-81.4	0	0	0	112.7	T308 D341 Y366 R539 L540	T308-F364 HydrophobicContact CG2-CD1 3.81Å; T308-F364 HydrophobicContact CG2-CE1 4.47Å; T308-F364 HydrophobicContact CG2-CG 4.45Å; T308-F364 WeakPolarHBondContact OG1-CA 3.33Å; T308-F364 PolarHBondContact OG1-O 3.04Å; D341-F364 PolarHBondContact OD1-N 2.95Å; D341-F364 PolarHBondContact OD2-N 2.56Å; F364-Y366 HydrophobicContact CB-CD2 4.25Å; F364-Y366 HydrophobicContact CB-CE2 4.28Å; F364-Y366 PolarHBondContact O-N 2.83Å; F364-R539 HydrophobicContact CD2-CG 4.48Å; F364-R539 HydrophobicContact CE2-CG 3.76Å; F364-R539 WeakPolarHBondContact CE2-O 3.25Å; F364-R539 HydrophobicContact CZ-CG 4.31Å; F364-L540 HydrophobicContact CZ-CD1 4.29Å
365	G	98.2	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-11.3	-178.3	0	0	0	0	0	115	E306 D341 R362 I363	E306-G365 PolarHBondContact N-O 3.25Å; E306-G365 VanDerWaalsContact N-O 3.07Å; E306-G365 WeakPolarHBondContact O-CA 3.25Å; D341-G365 PolarHBondContact OD2-N 2.84Å; R362-G365 PolarHBondContact NH1-O 2.86Å; I363-G365 PolarHBondContact O-N 2.95Å
366	Y	98.5	Very high	98.3	Very high	33 Å²	33	15 Å²	15	13%	0.129	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.8	177.2	-55.6	-62.3	0	0	0	111.1	V305 R362 I363 F364 L546 L550	V305-Y366 HydrophobicContact CG1-CE1 4.43Å; V305-Y366 HydrophobicContact CG2-CD1 4.04Å; V305-Y366 HydrophobicContact CG2-CE1 4.1Å; R362-Y366 CarbonylContact C-O 3.32Å; R362-Y366 WeakPolarHBondContact CA-O 3.41Å; R362-Y366 WeakPolarHBondContact CB-O 2.98Å; I363-Y366 PolarHBondContact N-O 2.63Å; I363-Y366 WeakPolarHBondContact O-CB 3.15Å; I363-Y366 VanDerWaalsContact O-CD2 3.31Å; I363-Y366 WeakPolarHBondContact O-CD2 3.41Å; I363-Y366 PolarHBondContact O-N 3.08Å; F364-Y366 HydrophobicContact CB-CD2 4.25Å; F364-Y366 HydrophobicContact CB-CE2 4.28Å; F364-Y366 PolarHBondContact O-N 2.83Å; Y366-L546 HydrophobicContact CD2-CB 3.89Å; Y366-L546 HydrophobicContact CD2-CD1 4.37Å; Y366-L546 HydrophobicContact CE2-CB 4.43Å; Y366-L546 HydrophobicContact CG-CB 4.43Å; Y366-L550 HydrophobicContact CD1-CD1 3.4Å; Y366-L550 HydrophobicContact CE1-CD1 3.69Å; Y366-L550 HydrophobicContact CG-CD1 3.97Å
367	P	98.5	Very high	98.2	Very high	14 Å²	14	15 Å²	15	9%	0.091	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.1	179.1	31.2	-26.9	0	0	0	109.7	V303 T304 P398	V303-P367 HydrophobicContact CB-CG 3.83Å; V303-P367 HydrophobicContact CG1-CG 4.46Å; V303-P367 HydrophobicContact CG2-CG 4.15Å; T304-P367 VanDerWaalsContact O-CD 3.24Å; T304-P367 WeakPolarHBondContact O-CD 3.41Å; P367-P398 WeakPolarHBondContact O-CD 3.38Å
368	V	98.8	Very high	98.2	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.7	-178.6	-61.8	0	0	0	0	111.2	F360 S361 I363 I370 I397 P398 I400 L546	F360-V368 WeakPolarHBondContact CA-O 3.34Å; S361-V368 PolarHBondContact N-O 2.89Å; S361-V368 WeakPolarHBondContact O-CG2 3.45Å; S361-V368 PolarHBondContact O-N 3.25Å; I363-V368 HydrophobicContact CD1-CG2 4.41Å; I363-V368 HydrophobicContact CG1-CG2 4.16Å; V368-I370 HydrophobicContact CG2-CD1 4.12Å; V368-I370 HydrophobicContact CG2-CG1 3.96Å; V368-I397 VanDerWaalsContact C-CG2 3.46Å; V368-P398 WeakPolarHBondContact CA-O 3.37Å; V368-I400 HydrophobicContact CB-CD1 3.85Å; V368-I400 HydrophobicContact CB-CG1 4.39Å; V368-I400 HydrophobicContact CG1-CD1 3.7Å; V368-I400 HydrophobicContact CG1-CG1 4.41Å; V368-I400 HydrophobicContact CG2-CD1 4.12Å; V368-L546 HydrophobicContact CG1-CD1 3.82Å; V368-L546 HydrophobicContact CG1-CD2 3.91Å
369	G	98.9	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.1	164.1	0	0	0	0	0	108.7	I397 P398 L399 I400	G369-I397 VanDerWaalsContact N-CG2 3.3Å; G369-P398 PolarHBondContact N-O 3.33Å; G369-L399 CarbonylContact O-C 3.51Å; G369-L399 VanDerWaalsContact O-CA 3.32Å; G369-L399 WeakPolarHBondContact O-CA 3.43Å; G369-I400 PolarHBondContact O-N 3.07Å
370	I	98.9	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137	-177.4	-54.1	176.9	0	0	0	109.1	I336 V340 F345 T358 G359 V368 F388 I400 L402	I336-I370 HydrophobicContact CD1-CG2 3.99Å; I336-I370 HydrophobicContact CG1-CG2 4.15Å; I336-I370 HydrophobicContact CG2-CD1 4.02Å; V340-I370 HydrophobicContact CG1-CD1 3.47Å; V340-I370 VanDerWaalsContact CG1-CD1 3.47Å; F345-I370 HydrophobicContact CE2-CB 4.03Å; F345-I370 HydrophobicContact CE2-CD1 4.25Å; F345-I370 HydrophobicContact CE2-CG1 4.45Å; T358-I370 VanDerWaalsContact CA-O 3.25Å; T358-I370 WeakPolarHBondContact CA-O 3.39Å; G359-I370 PolarHBondContact N-O 3.29Å; G359-I370 VanDerWaalsContact N-O 3.1Å; G359-I370 PolarHBondContact O-N 3.45Å; V368-I370 HydrophobicContact CG2-CD1 4.12Å; V368-I370 HydrophobicContact CG2-CG1 3.96Å; I370-F388 WeakPolarHBondContact O-CE1 3.44Å; I370-I400 CarbonylContact C-O 3.53Å; I370-I400 WeakPolarHBondContact CA-O 3.32Å; I370-I400 HydrophobicContact CG1-CB 4.32Å; I370-L402 HydrophobicContact CG2-CD1 4.03Å; I370-L402 HydrophobicContact CG2-CG 4.26Å
371	I	98.9	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.6	173.2	-52.3	-178.5	0	0	0	107.3	L356 V357 T358 F388 I389 L399 I400 F401 L402 M453	L356-I371 HydrophobicContact CD1-CG2 3.55Å; L356-I371 HydrophobicContact CD2-CG2 3.97Å; L356-I371 HydrophobicContact CG-CG2 3.88Å; V357-I371 CarbonylContact O-C 3.57Å; V357-I371 WeakPolarHBondContact O-CA 3.36Å; T358-I371 HydrophobicContact CG2-CG1 4.24Å; T358-I371 HydrophobicContact CG2-CG2 4.15Å; I371-F388 HydrophobicContact CD1-CD1 3.96Å; I371-F388 HydrophobicContact CG1-CD1 3.69Å; I371-F388 HydrophobicContact CG1-CE1 3.96Å; I371-I389 HydrophobicContact CD1-CD1 4.01Å; I371-I389 HydrophobicContact CD1-CG1 3.57Å; I371-L399 HydrophobicContact CD1-CD2 4.14Å; I371-L399 HydrophobicContact CG1-CD2 4.48Å; I371-I400 PolarHBondContact N-O 3.44Å; I371-F401 HydrophobicContact CB-CD1 4.14Å; I371-F401 HydrophobicContact CB-CE1 4.37Å; I371-F401 HydrophobicContact CD1-CD1 4.36Å; I371-F401 HydrophobicContact CD1-CE1 3.73Å; I371-F401 HydrophobicContact CD1-CZ 4.07Å; I371-F401 HydrophobicContact CG2-CD1 4.48Å; I371-F401 CarbonylContact O-C 3.58Å; I371-F401 WeakPolarHBondContact O-CA 3.27Å; I371-L402 PolarHBondContact O-N 2.93Å; I371-M453 HydrophobicContact CB-CE 4.41Å; I371-M453 HydrophobicContact CG2-CE 3.83Å; I371-M453 HydrophobicContact CG2-SD 4.13Å; I371-M453 WeakPolarHBondContact O-CE 3.46Å
372	G	98.6	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.5	-177.3	0	0	0	0	0	112.6	V357	V357-G372 PolarHBondContact N-O 2.83Å; V357-G372 PolarHBondContact O-N 2.8Å
373	N	98.6	Very high	98.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.7	175.9	-59.1	116.6	0	0	0	111.4	V332 L402 Q403 N404 I405 M453	V332-N373 WeakPolarHBondContact CB-O 3.49Å; N373-L402 PolarHBondContact N-O 2.96Å; N373-L402 PolarHBondContact OD1-O 3.25Å; N373-Q403 WeakPolarHBondContact OD1-CA 3.4Å; N373-N404 HydrophobicContact CB-CB 4.33Å; N373-N404 WeakPolarHBondContact CB-O 3.34Å; N373-N404 PolarHBondContact OD1-N 2.81Å; N373-N404 VanDerWaalsContact OD1-N 3.12Å; N373-I405 HydrophobicContact CB-CB 4.47Å; N373-M453 PolarHBondContact ND2-SD 3.25Å; N373-M453 VanDerWaalsContact ND2-SD 3.41Å; N373-M453 WeakPolarHBondContact OD1-CE 3.31Å
374	N	97.1	Very high	98.1	Very high	52 Å²	52	20.1 Å²	20.1	28%	0.278	10%	0.103	S	C	.	.	S	Bend	trans	-127.2	25.6	174.6	-153.1	53.4	0	0	0	110.9	F330 D331 V332 T355 V357	F330-N374 PolarHBondContact O-OD1 3.46Å; D331-N374 WeakPolarHBondContact CA-OD1 3.39Å; D331-N374 PolarHBondContact OD1-OD1 3.15Å; V332-N374 HydrophobicContact CG1-CB 4.06Å; V332-N374 PolarHBondContact N-OD1 3.28Å; T355-N374 PolarHBondContact O-N 2.87Å; V357-N374 HydrophobicContact CG2-CB 4.01Å
375	G	95.3	Very high	98.1	Very high	24 Å²	24	16.8 Å²	16.8	25%	0.247	9%	0.089	C	C	.	.	S	Bend	trans	148.8	-169.9	-173.6	0	0	0	0	0	112.5	I405	G375-I405 WeakPolarHBondContact O-CD1 3.5Å
376	V	95.3	Very high	98.1	Very high	39 Å²	39	17.1 Å²	17.1	24%	0.236	9%	0.091	C	C	.	.	S	Bend	trans	-66.9	152.5	174.1	-67.4	0	0	0	0	112	T355 F378 T406 M409	T355-V376 WeakPolarHBondContact CB-O 3.16Å; T355-V376 WeakPolarHBondContact CG2-O 3.23Å; T355-V376 PolarHBondContact OG1-O 2.75Å; V376-F378 HydrophobicContact CG2-CD2 4.45Å; V376-F378 HydrophobicContact CG2-CE2 3.81Å; V376-F378 HydrophobicContact CG2-CZ 4.01Å; V376-T406 VanDerWaalsContact CG1-OG1 3.27Å; V376-T406 WeakPolarHBondContact CG1-OG1 3.3Å; V376-M409 HydrophobicContact CG2-CE 3.63Å
377	L	97.3	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-83.4	125.2	177.5	-68.5	173	0	0	0	111.4	L356 I405 G407 F408 M409	L356-L377 HydrophobicContact CB-CD2 4.27Å; L356-L377 HydrophobicContact CD1-CD2 3.97Å; L356-L377 HydrophobicContact CD2-CD2 4.45Å; L356-L377 HydrophobicContact CG-CD2 4.48Å; L377-I405 HydrophobicContact CD1-CD1 4.24Å; L377-I405 HydrophobicContact CD1-CG1 4.32Å; L377-I405 HydrophobicContact CG-CD1 3.76Å; L377-I405 HydrophobicContact CG-CG1 4.39Å; L377-G407 PolarHBondContact N-O 3.05Å; L377-F408 HydrophobicContact CB-CD1 3.73Å; L377-F408 HydrophobicContact CB-CD2 4.24Å; L377-F408 HydrophobicContact CB-CE1 3.79Å; L377-F408 HydrophobicContact CB-CE2 4.29Å; L377-F408 HydrophobicContact CB-CG 3.98Å; L377-F408 HydrophobicContact CB-CZ 4.07Å; L377-F408 HydrophobicContact CD1-CD2 4.21Å; L377-F408 HydrophobicContact CD1-CE1 4.23Å; L377-F408 HydrophobicContact CD1-CE2 3.62Å; L377-F408 HydrophobicContact CD1-CZ 3.64Å; L377-F408 CarbonylContact O-C 3.57Å; L377-F408 WeakPolarHBondContact O-CA 3.46Å; L377-M409 PolarHBondContact O-N 2.95Å
378	F	98.1	Very high	98.2	Very high	43 Å²	43	18.5 Å²	18.5	19%	0.189	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-99.9	172.6	167.1	-65.2	-85.4	0	0	0	110.9	T355 V376 E380 S381 A382 M409 Y414	T355-F378 HydrophobicContact CG2-CD2 3.91Å; T355-F378 HydrophobicContact CG2-CE2 3.74Å; V376-F378 HydrophobicContact CG2-CD2 4.45Å; V376-F378 HydrophobicContact CG2-CE2 3.81Å; V376-F378 HydrophobicContact CG2-CZ 4.01Å; F378-E380 VanDerWaalsContact C-N 3.25Å; F378-E380 PolarHBondContact O-N 3.12Å; F378-S381 PolarHBondContact N-OG 3.02Å; F378-S381 WeakPolarHBondContact O-CB 3.4Å; F378-S381 PolarHBondContact O-N 2.8Å; F378-A382 PolarHBondContact O-N 2.73Å; F378-M409 HydrophobicContact CD1-CB 3.72Å; F378-M409 HydrophobicContact CD1-CE 4.45Å; F378-M409 HydrophobicContact CD1-CG 4.02Å; F378-M409 HydrophobicContact CE1-CB 3.74Å; F378-M409 HydrophobicContact CE1-CE 3.35Å; F378-M409 HydrophobicContact CE1-CG 3.61Å; F378-M409 HydrophobicContact CE1-SD 4.35Å; F378-M409 HydrophobicContact CE2-CE 4.32Å; F378-M409 HydrophobicContact CZ-CE 3.27Å; F378-M409 HydrophobicContact CZ-CG 4.46Å; F378-Y414 HydrophobicContact CD1-CD1 4.27Å; F378-Y414 AromaticContact CD1-CE1 3.75Å; F378-Y414 HydrophobicContact CD1-CE1 3.75Å; F378-Y414 AromaticContact CE1-CE1 3.74Å; F378-Y414 HydrophobicContact CE1-CE1 3.74Å; F378-Y414 AromaticContact CE1-CZ 3.94Å
379	S	98.1	Very high	98.2	Very high	8 Å²	8	18.5 Å²	18.5	6%	0.056	10%	0.097	C	C	.	.	H	α-helix	trans	-52.9	-43.9	171.7	-70	0	0	0	0	112.2	A382 K383 I419 D422	S379-A382 PolarHBondContact O-N 3.06Å; S379-K383 WeakPolarHBondContact O-CB 3.49Å; S379-K383 VanDerWaalsContact O-CE 3.24Å; S379-K383 WeakPolarHBondContact O-CE 3.18Å; S379-K383 WeakPolarHBondContact O-CG 3.4Å; S379-K383 PolarHBondContact O-N 3.44Å; S379-I419 WeakPolarHBondContact OG-CA 3.24Å; S379-D422 VanDerWaalsContact CB-OD2 3.29Å; S379-D422 WeakPolarHBondContact CB-OD2 3.4Å
380	E	98.3	Very high	98.2	Very high	72 Å²	72	21.8 Å²	21.8	34%	0.336	11%	0.112	S	C	.	.	H	α-helix	trans	-62.1	-44.5	179.2	-65.8	57.7	-125.6	0	0	110.5	Y352 F378 K383 K384	Y352-E380 HydrophobicContact CD1-CB 4.45Å; Y352-E380 HydrophobicContact CE1-CB 3.86Å; Y352-E380 HydrophobicContact CE1-CG 4.44Å; Y352-E380 VanDerWaalsContact CE1-O 3.31Å; Y352-E380 WeakPolarHBondContact CE1-O 3.38Å; Y352-E380 HydrophobicContact CE2-CB 4.07Å; Y352-E380 HydrophobicContact CE2-CG 3.79Å; F378-E380 VanDerWaalsContact C-N 3.25Å; F378-E380 PolarHBondContact O-N 3.12Å; E380-K383 PolarHBondContact O-N 3.13Å; E380-K383 IonicContact OE1-NZ 2.7Å; E380-K384 VanDerWaalsContact O-CB 3.32Å; E380-K384 WeakPolarHBondContact O-CB 3.44Å; E380-K384 PolarHBondContact O-N 2.76Å
381	S	98.1	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-46.2	176.5	-42.6	0	0	0	0	110.7	T355 L356 F378 K384 G385	T355-S381 PolarHBondContact OG1-OG 3.25Å; L356-S381 WeakPolarHBondContact CD2-O 3.31Å; F378-S381 PolarHBondContact N-OG 3.02Å; F378-S381 WeakPolarHBondContact O-CB 3.4Å; F378-S381 PolarHBondContact O-N 2.8Å; S381-K384 PolarHBondContact O-N 2.99Å; S381-G385 PolarHBondContact O-N 3.3Å
382	A	98.4	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-41.3	179.2	0	0	0	0	0	112.9	F378 S379 G385 T386 F408 D422 M426	F378-A382 PolarHBondContact O-N 2.73Å; S379-A382 PolarHBondContact O-N 3.06Å; A382-G385 PolarHBondContact O-N 2.73Å; A382-T386 WeakPolarHBondContact O-CB 3.33Å; A382-T386 PolarHBondContact O-N 2.82Å; A382-T386 PolarHBondContact O-OG1 2.82Å; A382-F408 HydrophobicContact CB-CE1 4.1Å; A382-D422 HydrophobicContact CB-CB 4.46Å; A382-D422 WeakPolarHBondContact CB-O 3.5Å; A382-M426 HydrophobicContact CB-CB 4.17Å; A382-M426 HydrophobicContact CB-SD 4.29Å
383	K	98.7	Very high	98.1	Very high	66 Å²	66	23.6 Å²	23.6	29%	0.287	12%	0.123	S	C	.	.	H	α-helix	trans	-63.8	-39.6	173.7	-74.1	176.6	-66.2	-142.5	0	112	Y352 S379 E380 H387 D422	Y352-K383 WeakPolarHBondContact OH-CE 3.24Å; S379-K383 WeakPolarHBondContact O-CB 3.49Å; S379-K383 VanDerWaalsContact O-CE 3.24Å; S379-K383 WeakPolarHBondContact O-CE 3.18Å; S379-K383 WeakPolarHBondContact O-CG 3.4Å; S379-K383 PolarHBondContact O-N 3.44Å; E380-K383 PolarHBondContact O-N 3.13Å; E380-K383 IonicContact OE1-NZ 2.7Å; K383-H387 PolarHBondContact O-N 3.07Å; K383-H387 VanDerWaalsContact O-N 3.16Å; K383-D422 WeakPolarHBondContact CD-OD2 3.38Å; K383-D422 VanDerWaalsContact CE-OD2 3.26Å; K383-D422 WeakPolarHBondContact CE-OD2 3.4Å; K383-D422 HydrophobicContact CG-CB 4.23Å; K383-D422 IonicContact NZ-OD2 2.7Å; K383-D422 PolarHBondContact NZ-OD2 3.19Å
384	K	98.8	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-51.4	173.6	170.2	170.3	173.7	-176.9	0	111.6	F348 K349 Y352 G353 L356 T358 E380 S381 T386 H387 F388	F348-K384 WeakPolarHBondContact O-CE 3.35Å; K349-K384 HydrophobicContact CB-CD 3.87Å; K349-K384 HydrophobicContact CB-CG 4.23Å; K349-K384 HydrophobicContact CD-CB 4.35Å; K349-K384 HydrophobicContact CD-CG 4.21Å; K349-K384 WeakPolarHBondContact O-CE 3.48Å; K349-K384 PolarHBondContact O-NZ 3.02Å; Y352-K384 HydrophobicContact CD1-CB 4.2Å; Y352-K384 HydrophobicContact CE1-CB 4.4Å; Y352-K384 WeakPolarHBondContact O-CD 3.24Å; Y352-K384 PolarHBondContact O-NZ 3.5Å; Y352-K384 VanDerWaalsContact O-NZ 3.15Å; G353-K384 PolarHBondContact O-NZ 2.84Å; L356-K384 WeakPolarHBondContact O-CE 3.34Å; L356-K384 PolarHBondContact O-NZ 2.98Å; T358-K384 HydrophobicContact CG2-CG 4.14Å; T358-K384 WeakPolarHBondContact OG1-CE 3.4Å; E380-K384 VanDerWaalsContact O-CB 3.32Å; E380-K384 WeakPolarHBondContact O-CB 3.44Å; E380-K384 PolarHBondContact O-N 2.76Å; S381-K384 PolarHBondContact O-N 2.99Å; K384-T386 VanDerWaalsContact C-N 3.33Å; K384-T386 PolarHBondContact O-N 2.63Å; K384-H387 PolarHBondContact O-N 3.49Å; K384-F388 WeakPolarHBondContact O-CB 3.38Å; K384-F388 PolarHBondContact O-N 3.45Å
385	G	98.8	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-44.3	177.9	0	0	0	0	0	112.1	S381 A382 F388 I389	S381-G385 PolarHBondContact O-N 3.3Å; A382-G385 PolarHBondContact O-N 2.73Å; G385-F388 PolarHBondContact O-N 3.01Å; G385-I389 WeakPolarHBondContact O-CD1 3.38Å; G385-I389 VanDerWaalsContact O-CG1 3.25Å; G385-I389 WeakPolarHBondContact O-CG1 3.07Å; G385-I389 PolarHBondContact O-N 3.48Å
386	T	98.8	Very high	98.2	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-54.8	-57.3	175.6	-57.6	0	0	0	0	111.7	A382 K384 F388 I389 E390 K425 M426 A429 F562	A382-T386 WeakPolarHBondContact O-CB 3.33Å; A382-T386 PolarHBondContact O-N 2.82Å; A382-T386 PolarHBondContact O-OG1 2.82Å; K384-T386 VanDerWaalsContact C-N 3.33Å; K384-T386 PolarHBondContact O-N 2.63Å; T386-F388 VanDerWaalsContact C-N 3.29Å; T386-F388 PolarHBondContact O-N 2.95Å; T386-I389 PolarHBondContact O-N 2.97Å; T386-E390 WeakPolarHBondContact O-CG 3.48Å; T386-E390 PolarHBondContact O-N 3.23Å; T386-K425 HydrophobicContact CG2-CB 4.11Å; T386-K425 VanDerWaalsContact OG1-C 3.26Å; T386-M426 WeakPolarHBondContact OG1-CA 3.12Å; T386-M426 PolarHBondContact OG1-N 3.44Å; T386-A429 HydrophobicContact CG2-CB 4.12Å; T386-F562 HydrophobicContact CG2-CD1 4.16Å; T386-F562 HydrophobicContact CG2-CE1 3.5Å; T386-F562 HydrophobicContact CG2-CZ 4.11Å
387	H	98.9	Very high	98.4	Very high	76 Å²	76	34.8 Å²	34.8	35%	0.352	16%	0.16	S	C	.	.	H	α-helix	trans	-61	-39.9	-178.9	-178.5	-178	0	0	0	111.3	F348 K383 K384 I389 E390 L391	F348-H387 AromaticContact CZ-CE1 3.77Å; F348-H387 AromaticContact CZ-CG 3.94Å; F348-H387 AromaticContact CZ-ND1 3.66Å; K383-H387 PolarHBondContact O-N 3.07Å; K383-H387 VanDerWaalsContact O-N 3.16Å; K384-H387 PolarHBondContact O-N 3.49Å; H387-I389 PolarHBondContact O-N 3.13Å; H387-E390 WeakPolarHBondContact O-CB 3.15Å; H387-E390 PolarHBondContact O-N 3.03Å; H387-L391 WeakPolarHBondContact O-CG 3.32Å; H387-L391 PolarHBondContact O-N 3.22Å
388	F	98.9	Very high	98.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-39.5	178.8	-172.2	-107.1	0	0	0	112.9	F348 T358 G359 F360 I370 I371 K384 G385 T386 E390 L391 C392 L399	F348-F388 HydrophobicContact CB-CD2 3.77Å; F348-F388 HydrophobicContact CB-CE2 3.92Å; F348-F388 HydrophobicContact CD1-CB 3.92Å; F348-F388 AromaticContact CD1-CD2 3.56Å; F348-F388 HydrophobicContact CD1-CD2 3.56Å; F348-F388 HydrophobicContact CD1-CG 4.13Å; F348-F388 HydrophobicContact CE1-CB 4.04Å; F348-F388 HydrophobicContact CE1-CD2 4.26Å; F348-F388 AromaticContact CG-CD2 3.75Å; F348-F388 HydrophobicContact CG-CD2 3.75Å; F348-F388 HydrophobicContact CG-CE2 4.34Å; T358-F388 HydrophobicContact CG2-CB 4.11Å; T358-F388 HydrophobicContact CG2-CD1 4.01Å; T358-F388 HydrophobicContact CG2-CG 4.07Å; G359-F388 VanDerWaalsContact C-CZ 3.48Å; G359-F388 VanDerWaalsContact O-CZ 3.26Å; G359-F388 WeakPolarHBondContact O-CZ 3.32Å; F360-F388 HydrophobicContact CD1-CE2 4.2Å; F360-F388 HydrophobicContact CD1-CZ 4.08Å; F360-F388 HydrophobicContact CD2-CE2 4.07Å; F360-F388 AromaticContact CE1-CE2 3.78Å; F360-F388 HydrophobicContact CE1-CE2 3.78Å; F360-F388 AromaticContact CE1-CZ 3.89Å; F360-F388 HydrophobicContact CE1-CZ 3.89Å; F360-F388 HydrophobicContact CE2-CD2 4.44Å; F360-F388 AromaticContact CE2-CE2 3.63Å; F360-F388 HydrophobicContact CE2-CE2 3.63Å; F360-F388 HydrophobicContact CE2-CZ 4.44Å; F360-F388 HydrophobicContact CG-CE2 4.34Å; F360-F388 HydrophobicContact CG-CZ 4.44Å; F360-F388 HydrophobicContact CZ-CD2 4.21Å; F360-F388 AromaticContact CZ-CE2 3.47Å; F360-F388 HydrophobicContact CZ-CE2 3.47Å; F360-F388 VanDerWaalsContact CZ-CE2 3.47Å; F360-F388 HydrophobicContact CZ-CZ 4.08Å; I370-F388 WeakPolarHBondContact O-CE1 3.44Å; I371-F388 HydrophobicContact CD1-CD1 3.96Å; I371-F388 HydrophobicContact CG1-CD1 3.69Å; I371-F388 HydrophobicContact CG1-CE1 3.96Å; K384-F388 WeakPolarHBondContact O-CB 3.38Å; K384-F388 PolarHBondContact O-N 3.45Å; G385-F388 PolarHBondContact O-N 3.01Å; T386-F388 VanDerWaalsContact C-N 3.29Å; T386-F388 PolarHBondContact O-N 2.95Å; F388-E390 VanDerWaalsContact C-N 3.34Å; F388-L391 PolarHBondContact O-N 3.28Å; F388-C392 PolarHBondContact O-N 3.2Å; F388-C392 PolarHBondContact O-SG 3.12Å; F388-L399 HydrophobicContact CE1-CD2 4.36Å
389	I	98.9	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-42.1	173.8	-68.7	163.8	0	0	0	110.8	I371 G385 T386 H387 L391 C392 C393 L399 F401 A429 V430 A433 F559	I371-I389 HydrophobicContact CD1-CD1 4.01Å; I371-I389 HydrophobicContact CD1-CG1 3.57Å; G385-I389 WeakPolarHBondContact O-CD1 3.38Å; G385-I389 VanDerWaalsContact O-CG1 3.25Å; G385-I389 WeakPolarHBondContact O-CG1 3.07Å; G385-I389 PolarHBondContact O-N 3.48Å; T386-I389 PolarHBondContact O-N 2.97Å; H387-I389 PolarHBondContact O-N 3.13Å; I389-L391 VanDerWaalsContact C-N 3.34Å; I389-L391 PolarHBondContact O-N 3.04Å; I389-C392 PolarHBondContact O-N 3.46Å; I389-C393 WeakPolarHBondContact O-CB 3.45Å; I389-C393 PolarHBondContact O-N 3.14Å; I389-C393 PolarHBondContact O-SG 3.36Å; I389-L399 HydrophobicContact CB-CD1 4.45Å; I389-L399 HydrophobicContact CG1-CD1 4.14Å; I389-L399 HydrophobicContact CG2-CD1 4.04Å; I389-F401 HydrophobicContact CD1-CZ 4.46Å; I389-A429 HydrophobicContact CB-CB 4.05Å; I389-A429 HydrophobicContact CD1-CB 4.08Å; I389-A429 HydrophobicContact CG2-CB 3.81Å; I389-V430 HydrophobicContact CD1-CG2 3.47Å; I389-V430 VanDerWaalsContact CD1-CG2 3.47Å; I389-A433 HydrophobicContact CG2-CB 3.95Å; I389-F559 HydrophobicContact CG2-CE1 4.45Å
390	E	98.8	Very high	98.5	Very high	70 Å²	70	32.4 Å²	32.4	33%	0.327	15%	0.148	S	C	.	.	H	α-helix	trans	-58.5	-45.2	175.4	-69.3	177.6	-100.2	0	0	111.6	T386 H387 F388 C392 C393 Q394 F559 F562	T386-E390 WeakPolarHBondContact O-CG 3.48Å; T386-E390 PolarHBondContact O-N 3.23Å; H387-E390 WeakPolarHBondContact O-CB 3.15Å; H387-E390 PolarHBondContact O-N 3.03Å; F388-E390 VanDerWaalsContact C-N 3.34Å; E390-C392 PolarHBondContact O-N 3.38Å; E390-C393 PolarHBondContact O-N 3.23Å; E390-Q394 WeakPolarHBondContact O-CB 3.15Å; E390-Q394 PolarHBondContact O-N 3.29Å; E390-F559 HydrophobicContact CB-CE2 4.33Å; E390-F559 HydrophobicContact CB-CZ 4.37Å; E390-F559 HydrophobicContact CG-CD2 4.47Å; E390-F559 HydrophobicContact CG-CE1 4.49Å; E390-F559 HydrophobicContact CG-CE2 3.84Å; E390-F559 HydrophobicContact CG-CZ 3.86Å; E390-F562 HydrophobicContact CG-CZ 4.48Å
391	L	98.8	Very high	98.6	Very high	22 Å²	22	29 Å²	29	12%	0.115	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-44.6	176.7	-70	173.5	0	0	0	112.2	F348 F360 H387 F388 I389 C393 Q394 R395	F348-L391 HydrophobicContact CD2-CD1 4.23Å; F348-L391 HydrophobicContact CE1-CD1 4.42Å; F348-L391 HydrophobicContact CE2-CD1 3.64Å; F348-L391 HydrophobicContact CZ-CD1 3.73Å; F360-L391 HydrophobicContact CZ-CB 4.29Å; H387-L391 WeakPolarHBondContact O-CG 3.32Å; H387-L391 PolarHBondContact O-N 3.22Å; F388-L391 PolarHBondContact O-N 3.28Å; I389-L391 VanDerWaalsContact C-N 3.34Å; I389-L391 PolarHBondContact O-N 3.04Å; L391-C393 VanDerWaalsContact C-N 3.35Å; L391-Q394 PolarHBondContact O-N 3.1Å; L391-R395 WeakPolarHBondContact O-CB 3.3Å; L391-R395 VanDerWaalsContact O-CG 3.26Å; L391-R395 WeakPolarHBondContact O-CG 3.38Å; L391-R395 PolarHBondContact O-N 3Å; L391-R395 VanDerWaalsContact O-N 3.1Å
392	C	98.8	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-43.1	177.7	-64.8	0	0	0	0	111.1	F388 I389 E390 Q394 R395 N396 I397 L399	F388-C392 PolarHBondContact O-N 3.2Å; F388-C392 PolarHBondContact O-SG 3.12Å; I389-C392 PolarHBondContact O-N 3.46Å; E390-C392 PolarHBondContact O-N 3.38Å; C392-Q394 PolarHBondContact O-N 3.47Å; C392-R395 CarbonylContact O-C 3.49Å; C392-R395 PolarHBondContact O-N 2.65Å; C392-N396 PolarHBondContact O-N 2.71Å; C392-I397 HydrophobicContact CB-CB 4.27Å; C392-I397 PolarHBondContact O-N 2.94Å; C392-L399 HydrophobicContact CB-CD1 4.45Å; C392-L399 HydrophobicContact CB-CD2 3.65Å; C392-L399 HydrophobicContact CB-CG 4Å; C392-L399 VanDerWaalsContact SG-CD2 3.53Å
393	C	98.6	Very high	98.6	Very high	15 Å²	15	29 Å²	29	10%	0.101	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-43.2	175.9	-71.7	0	0	0	0	112.5	I389 E390 L391 R395 N396 A433 T557 F559	I389-C393 WeakPolarHBondContact O-CB 3.45Å; I389-C393 PolarHBondContact O-N 3.14Å; I389-C393 PolarHBondContact O-SG 3.36Å; E390-C393 PolarHBondContact O-N 3.23Å; L391-C393 VanDerWaalsContact C-N 3.35Å; C393-R395 PolarHBondContact O-N 3.38Å; C393-N396 PolarHBondContact O-N 2.95Å; C393-A433 WeakPolarHBondContact SG-CB 3.39Å; C393-T557 HydrophobicContact CB-CG2 4.07Å; C393-T557 PolarHBondContact SG-OG1 2.98Å; C393-F559 HydrophobicContact CB-CE2 4.31Å; C393-F559 HydrophobicContact CB-CZ 3.88Å
394	Q	97.9	Very high	98.6	Very high	161 Å²	161	27 Å²	27	75%	0.752	13%	0.125	S	C	*	.	H	α-helix	trans	-62.7	-33.3	178.2	-174.5	-178.2	7.5	0	0	112	E390 L391 C392	E390-Q394 WeakPolarHBondContact O-CB 3.15Å; E390-Q394 PolarHBondContact O-N 3.29Å; L391-Q394 PolarHBondContact O-N 3.1Å; C392-Q394 PolarHBondContact O-N 3.47Å
395	R	97.7	Very high	98.4	Very high	138 Å²	138	27 Å²	27	52%	0.521	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	2.9	-175.5	-62.9	173.2	-174.1	-173.5	-0.3	113.8	L391 C392 C393 I397	L391-R395 WeakPolarHBondContact O-CB 3.3Å; L391-R395 VanDerWaalsContact O-CG 3.26Å; L391-R395 WeakPolarHBondContact O-CG 3.38Å; L391-R395 PolarHBondContact O-N 3Å; L391-R395 VanDerWaalsContact O-N 3.1Å; C392-R395 CarbonylContact O-C 3.49Å; C392-R395 PolarHBondContact O-N 2.65Å; C393-R395 PolarHBondContact O-N 3.38Å; R395-I397 VanDerWaalsContact C-N 3.32Å; R395-I397 HydrophobicContact CB-CD1 3.66Å; R395-I397 HydrophobicContact CB-CG1 3.79Å; R395-I397 HydrophobicContact CG-CD1 4.47Å; R395-I397 PolarHBondContact O-N 3.3Å
396	N	97.4	Very high	98.1	Very high	30 Å²	30	30.5 Å²	30.5	16%	0.16	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	44.5	-172.7	-168.6	36.9	0	0	0	113.7	E302 V303 C392 C393 T554	E302-N396 PolarHBondContact O-ND2 3.27Å; V303-N396 WeakPolarHBondContact CG1-O 3.3Å; C392-N396 PolarHBondContact O-N 2.71Å; C393-N396 PolarHBondContact O-N 2.95Å; N396-T554 HydrophobicContact CB-CG2 4.21Å; N396-T554 WeakPolarHBondContact ND2-CG2 3.19Å; N396-T554 PolarHBondContact ND2-OG1 3.31Å; N396-T554 WeakPolarHBondContact OD1-CG2 3.28Å
397	I	98.5	Very high	97.8	Very high	22 Å²	22	30.7 Å²	30.7	11%	0.113	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-100.5	122.7	-180	-62.9	173.2	0	0	0	109.1	F360 V368 G369 C392 R395	F360-I397 HydrophobicContact CD1-CD1 3.88Å; F360-I397 HydrophobicContact CE1-CD1 3.73Å; V368-I397 VanDerWaalsContact C-CG2 3.46Å; G369-I397 VanDerWaalsContact N-CG2 3.3Å; C392-I397 HydrophobicContact CB-CB 4.27Å; C392-I397 PolarHBondContact O-N 2.94Å; R395-I397 VanDerWaalsContact C-N 3.32Å; R395-I397 HydrophobicContact CB-CD1 3.66Å; R395-I397 HydrophobicContact CB-CG1 3.79Å; R395-I397 HydrophobicContact CG-CD1 4.47Å; R395-I397 PolarHBondContact O-N 3.3Å
398	P	98.7	Very high	97.6	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-52.2	141.9	170.5	-28.7	34.8	0	0	0	113.2	P367 V368 G369 P436 M438 L546 L550	P367-P398 WeakPolarHBondContact O-CD 3.38Å; V368-P398 WeakPolarHBondContact CA-O 3.37Å; G369-P398 PolarHBondContact N-O 3.33Å; P398-P436 CarbonylContact C-O 3.59Å; P398-P436 VanDerWaalsContact CA-O 3.32Å; P398-P436 WeakPolarHBondContact CA-O 3.4Å; P398-P436 HydrophobicContact CB-CB 4.19Å; P398-P436 HydrophobicContact CG-CB 4.45Å; P398-P436 HydrophobicContact CG-CG 4.32Å; P398-M438 HydrophobicContact CB-CE 4.18Å; P398-L546 HydrophobicContact CB-CD2 3.76Å; P398-L546 HydrophobicContact CG-CD2 4.11Å; P398-L550 HydrophobicContact CG-CD2 4.47Å
399	L	98.9	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136	179.7	-74.4	166.1	0	0	0	111.5	G369 I371 F388 I389 C392 F401 A433 V435 P436 K437 M438	G369-L399 CarbonylContact O-C 3.51Å; G369-L399 VanDerWaalsContact O-CA 3.32Å; G369-L399 WeakPolarHBondContact O-CA 3.43Å; I371-L399 HydrophobicContact CD1-CD2 4.14Å; I371-L399 HydrophobicContact CG1-CD2 4.48Å; F388-L399 HydrophobicContact CE1-CD2 4.36Å; I389-L399 HydrophobicContact CB-CD1 4.45Å; I389-L399 HydrophobicContact CG1-CD1 4.14Å; I389-L399 HydrophobicContact CG2-CD1 4.04Å; C392-L399 HydrophobicContact CB-CD1 4.45Å; C392-L399 HydrophobicContact CB-CD2 3.65Å; C392-L399 HydrophobicContact CB-CG 4Å; C392-L399 VanDerWaalsContact SG-CD2 3.53Å; L399-F401 HydrophobicContact CB-CD2 4.45Å; L399-F401 HydrophobicContact CB-CE2 3.74Å; L399-F401 HydrophobicContact CB-CZ 4.37Å; L399-F401 HydrophobicContact CD1-CE2 4.4Å; L399-F401 HydrophobicContact CD1-CZ 4.34Å; L399-A433 HydrophobicContact CD1-CB 4.38Å; L399-V435 HydrophobicContact CD1-CG2 3.83Å; L399-V435 HydrophobicContact CG-CG2 4.06Å; L399-P436 PolarHBondContact N-O 2.83Å; L399-K437 HydrophobicContact CB-CG 4.34Å; L399-K437 HydrophobicContact CD1-CG 4.47Å; L399-K437 CarbonylContact O-C 3.57Å; L399-K437 WeakPolarHBondContact O-CA 3.25Å; L399-M438 PolarHBondContact O-N 2.93Å
400	I	98.9	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.5	172.5	-61.7	174.3	0	0	0	108.8	I363 V368 G369 I370 I371 L402 M438 L542	I363-I400 HydrophobicContact CD1-CD1 3.45Å; I363-I400 VanDerWaalsContact CD1-CD1 3.45Å; V368-I400 HydrophobicContact CB-CD1 3.85Å; V368-I400 HydrophobicContact CB-CG1 4.39Å; V368-I400 HydrophobicContact CG1-CD1 3.7Å; V368-I400 HydrophobicContact CG1-CG1 4.41Å; V368-I400 HydrophobicContact CG2-CD1 4.12Å; G369-I400 PolarHBondContact O-N 3.07Å; I370-I400 CarbonylContact C-O 3.53Å; I370-I400 WeakPolarHBondContact CA-O 3.32Å; I370-I400 HydrophobicContact CG1-CB 4.32Å; I371-I400 PolarHBondContact N-O 3.44Å; I400-L402 HydrophobicContact CG2-CD2 4.1Å; I400-L402 HydrophobicContact CG2-CG 4.47Å; I400-M438 CarbonylContact C-O 3.58Å; I400-M438 WeakPolarHBondContact CA-O 3.35Å; I400-M438 HydrophobicContact CG1-CE 3.88Å; I400-L542 HydrophobicContact CD1-CD1 4.3Å; I400-L542 HydrophobicContact CD1-CD2 4.46Å; I400-L542 HydrophobicContact CG2-CD1 4.27Å; I400-L542 HydrophobicContact CG2-CD2 4.37Å
401	F	98.9	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122	176.6	-64.3	-97.7	0	0	0	109.9	I371 I389 L399 V430 K437 M438 T439 V440 M453 C454	I371-F401 HydrophobicContact CB-CD1 4.14Å; I371-F401 HydrophobicContact CB-CE1 4.37Å; I371-F401 HydrophobicContact CD1-CD1 4.36Å; I371-F401 HydrophobicContact CD1-CE1 3.73Å; I371-F401 HydrophobicContact CD1-CZ 4.07Å; I371-F401 HydrophobicContact CG2-CD1 4.48Å; I371-F401 CarbonylContact O-C 3.58Å; I371-F401 WeakPolarHBondContact O-CA 3.27Å; I389-F401 HydrophobicContact CD1-CZ 4.46Å; L399-F401 HydrophobicContact CB-CD2 4.45Å; L399-F401 HydrophobicContact CB-CE2 3.74Å; L399-F401 HydrophobicContact CB-CZ 4.37Å; L399-F401 HydrophobicContact CD1-CE2 4.4Å; L399-F401 HydrophobicContact CD1-CZ 4.34Å; F401-V430 HydrophobicContact CE1-CG2 4.11Å; F401-V430 HydrophobicContact CZ-CG2 4.13Å; F401-K437 HydrophobicContact CE2-CB 4.22Å; F401-K437 HydrophobicContact CE2-CD 4.23Å; F401-K437 HydrophobicContact CE2-CG 4.25Å; F401-M438 PolarHBondContact N-O 2.86Å; F401-T439 HydrophobicContact CB-CG2 4.35Å; F401-T439 WeakPolarHBondContact O-CA 3.35Å; F401-V440 PolarHBondContact O-N 3.14Å; F401-M453 HydrophobicContact CB-CE 4.49Å; F401-M453 WeakPolarHBondContact CB-O 3.11Å; F401-M453 HydrophobicContact CD1-CB 4.49Å; F401-M453 HydrophobicContact CD1-CE 4.08Å; F401-M453 WeakPolarHBondContact CD1-O 3.13Å; F401-M453 HydrophobicContact CD1-SD 4.47Å; F401-M453 WeakPolarHBondContact CG-O 3.22Å; F401-C454 HydrophobicContact CD1-CB 3.92Å; F401-C454 HydrophobicContact CD2-CB 3.51Å; F401-C454 HydrophobicContact CE1-CB 3.91Å; F401-C454 HydrophobicContact CE2-CB 3.52Å; F401-C454 HydrophobicContact CG-CB 3.72Å; F401-C454 HydrophobicContact CZ-CB 3.72Å
402	L	98.9	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	99.9	173.2	-58.2	180	0	0	0	108.6	V332 V335 I336 I339 I370 I371 N373 I400 V440 I442	V332-L402 HydrophobicContact CG2-CB 4.27Å; V332-L402 HydrophobicContact CG2-CD1 4.1Å; V335-L402 HydrophobicContact CG1-CD1 4.32Å; I336-L402 HydrophobicContact CG1-CD1 3.8Å; I339-L402 HydrophobicContact CD1-CD1 4.18Å; I339-L402 HydrophobicContact CD1-CD2 4.33Å; I370-L402 HydrophobicContact CG2-CD1 4.03Å; I370-L402 HydrophobicContact CG2-CG 4.26Å; I371-L402 PolarHBondContact O-N 2.93Å; N373-L402 PolarHBondContact N-O 2.96Å; N373-L402 PolarHBondContact OD1-O 3.25Å; I400-L402 HydrophobicContact CG2-CD2 4.1Å; I400-L402 HydrophobicContact CG2-CG 4.47Å; L402-V440 WeakPolarHBondContact CA-O 3.31Å; L402-V440 HydrophobicContact CD2-CB 4.12Å; L402-V440 HydrophobicContact CD2-CG2 4.44Å; L402-I442 HydrophobicContact CB-CD1 4.04Å
403	Q	98.6	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.9	-173.8	-53.8	-163	-5.4	0	0	111.8	N373 T439 V440 I441 I442 G443 S445 M453	N373-Q403 WeakPolarHBondContact OD1-CA 3.4Å; Q403-T439 HydrophobicContact CG-CG2 3.78Å; Q403-V440 PolarHBondContact N-O 3.16Å; Q403-I441 HydrophobicContact CB-CB 4.45Å; Q403-I441 HydrophobicContact CB-CG1 4.28Å; Q403-I441 HydrophobicContact CB-CG2 4.29Å; Q403-I441 HydrophobicContact CG-CG1 4.43Å; Q403-I442 VanDerWaalsContact O-CG1 3.32Å; Q403-I442 WeakPolarHBondContact O-CG1 3.24Å; Q403-I442 PolarHBondContact O-N 3.37Å; Q403-G443 PolarHBondContact O-N 3.37Å; Q403-S445 PolarHBondContact OE1-OG 3.32Å; Q403-M453 HydrophobicContact CG-CB 3.81Å; Q403-M453 PolarHBondContact NE2-O 3.09Å
404	N	97.6	Very high	96.5	Very high	26 Å²	26	56.4 Å²	56.4	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	71.9	163.6	-176.2	29	0	0	0	108.5	F330 N373 I442 G444	F330-N404 WeakPolarHBondContact CE1-ND2 3.41Å; F330-N404 HydrophobicContact CZ-CB 4.35Å; N373-N404 HydrophobicContact CB-CB 4.33Å; N373-N404 WeakPolarHBondContact CB-O 3.34Å; N373-N404 PolarHBondContact OD1-N 2.81Å; N373-N404 VanDerWaalsContact OD1-N 3.12Å; N404-I442 HydrophobicContact CB-CG1 4.13Å; N404-G444 CarbonylContact C-O 3.52Å; N404-G444 WeakPolarHBondContact CA-O 3.45Å; N404-G444 PolarHBondContact OD1-N 3.21Å
405	I	95.7	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.8	-165.8	-170.5	54.9	0	0	0	112.9	N373 G375 L377 G407 G444 Y446 M453	N373-I405 HydrophobicContact CB-CB 4.47Å; G375-I405 WeakPolarHBondContact O-CD1 3.5Å; L377-I405 HydrophobicContact CD1-CD1 4.24Å; L377-I405 HydrophobicContact CD1-CG1 4.32Å; L377-I405 HydrophobicContact CG-CD1 3.76Å; L377-I405 HydrophobicContact CG-CG1 4.39Å; I405-G407 VanDerWaalsContact CD1-O 3.31Å; I405-G407 WeakPolarHBondContact CD1-O 3.24Å; I405-G444 PolarHBondContact N-O 3.05Å; I405-G444 CarbonylContact O-C 3.31Å; I405-Y446 WeakPolarHBondContact O-CD2 3.48Å; I405-Y446 PolarHBondContact O-N 2.89Å; I405-M453 HydrophobicContact CG2-CG 4.42Å
406	T	91.9	Very high	96.4	Very high	73 Å²	73	51.7 Å²	51.7	45%	0.448	27%	0.271	S	S	.	.			trans	-92.9	-10.8	174.4	51.8	0	0	0	0	113.8	V376 Y446	V376-T406 VanDerWaalsContact CG1-OG1 3.27Å; V376-T406 WeakPolarHBondContact CG1-OG1 3.3Å; T406-Y446 HydrophobicContact CG2-CD2 4.24Å
407	G	92.5	Very high	96.3	Very high	10 Å²	10	52.7 Å²	52.7	10%	0.103	29%	0.289	C	S	.	.			trans	134.6	-167.4	174.7	0	0	0	0	0	112.9	L377 I405	L377-G407 PolarHBondContact N-O 3.05Å; I405-G407 VanDerWaalsContact CD1-O 3.31Å; I405-G407 WeakPolarHBondContact CD1-O 3.24Å
408	F	94.8	Very high	96.3	Very high	40 Å²	40	52.3 Å²	52.3	18%	0.175	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-84.7	153.9	169.5	-78.4	-104.1	0	0	0	110.1	L377 A382 I419 A448	L377-F408 HydrophobicContact CB-CD1 3.73Å; L377-F408 HydrophobicContact CB-CD2 4.24Å; L377-F408 HydrophobicContact CB-CE1 3.79Å; L377-F408 HydrophobicContact CB-CE2 4.29Å; L377-F408 HydrophobicContact CB-CG 3.98Å; L377-F408 HydrophobicContact CB-CZ 4.07Å; L377-F408 HydrophobicContact CD1-CD2 4.21Å; L377-F408 HydrophobicContact CD1-CE1 4.23Å; L377-F408 HydrophobicContact CD1-CE2 3.62Å; L377-F408 HydrophobicContact CD1-CZ 3.64Å; L377-F408 CarbonylContact O-C 3.57Å; L377-F408 WeakPolarHBondContact O-CA 3.46Å; A382-F408 HydrophobicContact CB-CE1 4.1Å; F408-I419 HydrophobicContact CB-CD1 4.31Å; F408-I419 HydrophobicContact CD1-CD1 4.23Å; F408-I419 HydrophobicContact CD1-CG1 3.98Å; F408-A448 HydrophobicContact CD2-CB 3.94Å; F408-A448 HydrophobicContact CE2-CB 4.22Å
409	M	95.8	Very high	96.2	Very high	51 Å²	51	52.6 Å²	52.6	25%	0.251	29%	0.292	S	S	.	.			trans	-59.6	144.2	171.2	-174.5	57.4	77.9	0	0	110.7	V376 L377 F378 Y414 I419	V376-M409 HydrophobicContact CG2-CE 3.63Å; L377-M409 PolarHBondContact O-N 2.95Å; F378-M409 HydrophobicContact CD1-CB 3.72Å; F378-M409 HydrophobicContact CD1-CE 4.45Å; F378-M409 HydrophobicContact CD1-CG 4.02Å; F378-M409 HydrophobicContact CE1-CB 3.74Å; F378-M409 HydrophobicContact CE1-CE 3.35Å; F378-M409 HydrophobicContact CE1-CG 3.61Å; F378-M409 HydrophobicContact CE1-SD 4.35Å; F378-M409 HydrophobicContact CE2-CE 4.32Å; F378-M409 HydrophobicContact CZ-CE 3.27Å; F378-M409 HydrophobicContact CZ-CG 4.46Å; M409-Y414 HydrophobicContact CB-CD1 4.48Å; M409-Y414 HydrophobicContact CB-CD2 4.46Å; M409-Y414 HydrophobicContact CB-CG 4.42Å; M409-Y414 HydrophobicContact CG-CD1 4.02Å; M409-Y414 HydrophobicContact CG-CD2 3.46Å; M409-Y414 VanDerWaalsContact CG-CD2 3.46Å; M409-Y414 HydrophobicContact CG-CE1 3.86Å; M409-Y414 HydrophobicContact CG-CE2 3.28Å; M409-Y414 HydrophobicContact CG-CG 3.84Å; M409-Y414 VanDerWaalsContact CG-CZ 3.49Å; M409-Y414 HydrophobicContact SD-CE2 4.11Å; M409-I419 HydrophobicContact CB-CD1 4.03Å; M409-I419 WeakPolarHBondContact O-CD1 3.42Å
410	V	92.1	Very high	96.2	Very high	117 Å²	117	55.7 Å²	55.7	71%	0.709	32%	0.317	S	S	*	.			trans	-119.1	145.3	179.6	-63	0	0	0	0	110.7
411	G	94	Very high	96.1	Very high	35 Å²	35	59.2 Å²	59.2	36%	0.361	33%	0.332	S	S	.	.	S	Bend	trans	149.4	154.9	175.8	0	0	0	0	0	112.5	E413 Y414 E415	G411-E413 VanDerWaalsContact C-N 3.27Å; G411-E413 PolarHBondContact O-N 2.67Å; G411-Y414 PolarHBondContact O-N 2.76Å; G411-Y414 VanDerWaalsContact O-N 3.15Å; G411-E415 PolarHBondContact O-N 3.49Å
412	R	95.9	Very high	96.1	Very high	229 Å²	229	59.5 Å²	59.5	86%	0.864	33%	0.334	S	S	*	.	H	α-helix	trans	-55	-41.9	-176.4	-178.7	-178.6	176	-174.2	-1	112.7	A416	R412-A416 WeakPolarHBondContact O-CB 3.46Å; R412-A416 PolarHBondContact O-N 2.94Å
413	E	95.8	Very high	96	Very high	166 Å²	166	59.8 Å²	59.8	78%	0.776	34%	0.337	S	S	*	.	H	α-helix	trans	-66.3	-41.6	-179.5	-65.2	179.5	178.3	0	0	111.9	G411 A416 G417	G411-E413 VanDerWaalsContact C-N 3.27Å; G411-E413 PolarHBondContact O-N 2.67Å; E413-A416 PolarHBondContact O-N 2.9Å; E413-G417 PolarHBondContact O-N 3.42Å
414	Y	96.1	Very high	96	Very high	86 Å²	86	61.7 Å²	61.7	34%	0.337	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-39.8	177.8	-59.4	-71.6	0	0	0	112.2	F378 M409 G411 G417 G418 I419	F378-Y414 HydrophobicContact CD1-CD1 4.27Å; F378-Y414 AromaticContact CD1-CE1 3.75Å; F378-Y414 HydrophobicContact CD1-CE1 3.75Å; F378-Y414 AromaticContact CE1-CE1 3.74Å; F378-Y414 HydrophobicContact CE1-CE1 3.74Å; F378-Y414 AromaticContact CE1-CZ 3.94Å; M409-Y414 HydrophobicContact CB-CD1 4.48Å; M409-Y414 HydrophobicContact CB-CD2 4.46Å; M409-Y414 HydrophobicContact CB-CG 4.42Å; M409-Y414 HydrophobicContact CG-CD1 4.02Å; M409-Y414 HydrophobicContact CG-CD2 3.46Å; M409-Y414 VanDerWaalsContact CG-CD2 3.46Å; M409-Y414 HydrophobicContact CG-CE1 3.86Å; M409-Y414 HydrophobicContact CG-CE2 3.28Å; M409-Y414 HydrophobicContact CG-CG 3.84Å; M409-Y414 VanDerWaalsContact CG-CZ 3.49Å; M409-Y414 HydrophobicContact SD-CE2 4.11Å; G411-Y414 PolarHBondContact O-N 2.76Å; G411-Y414 VanDerWaalsContact O-N 3.15Å; Y414-G417 CarbonylContact O-C 3.49Å; Y414-G417 PolarHBondContact O-N 3.14Å; Y414-G418 PolarHBondContact O-N 2.97Å; Y414-I419 WeakPolarHBondContact O-CB 3.3Å; Y414-I419 WeakPolarHBondContact O-CG2 3.45Å; Y414-I419 PolarHBondContact O-N 3.11Å
415	E	96.8	Very high	96.1	Very high	110 Å²	110	61 Å²	61	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-48.7	174.1	-72	-62.3	167	0	0	111.5	G411 G417 G418	G411-E415 PolarHBondContact O-N 3.49Å; E415-G417 PolarHBondContact O-N 3.34Å; E415-G418 PolarHBondContact O-N 2.99Å
416	A	96	Very high	96.2	Very high	90 Å²	90	61 Å²	61	74%	0.744	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-33.6	175.6	0	0	0	0	0	112.4	R412 E413 G418	R412-A416 WeakPolarHBondContact O-CB 3.46Å; R412-A416 PolarHBondContact O-N 2.94Å; E413-A416 PolarHBondContact O-N 2.9Å; A416-G418 PolarHBondContact O-N 3.43Å
417	G	96.3	Very high	96.5	Very high	51 Å²	51	59.1 Å²	59.1	53%	0.526	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.1	173.1	0	0	0	0	0	114.5	E413 Y414 E415	E413-G417 PolarHBondContact O-N 3.42Å; Y414-G417 CarbonylContact O-C 3.49Å; Y414-G417 PolarHBondContact O-N 3.14Å; E415-G417 PolarHBondContact O-N 3.34Å
418	G	97.3	Very high	96.8	Very high	14 Å²	14	60.4 Å²	60.4	14%	0.144	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	30.1	174.7	0	0	0	0	0	114.7	Y414 E415 A416 A420 K421 D422	Y414-G418 PolarHBondContact O-N 2.97Å; E415-G418 PolarHBondContact O-N 2.99Å; A416-G418 PolarHBondContact O-N 3.43Å; G418-A420 PolarHBondContact O-N 2.91Å; G418-A420 VanDerWaalsContact O-N 3.13Å; G418-K421 WeakPolarHBondContact O-CG 3.33Å; G418-K421 PolarHBondContact O-N 3.32Å; G418-D422 PolarHBondContact O-N 2.95Å
419	I	97.6	Very high	97	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-53.4	-35.1	177.6	-165.8	162.1	0	0	0	113	S379 F408 M409 Y414 D422 G423	S379-I419 WeakPolarHBondContact OG-CA 3.24Å; F408-I419 HydrophobicContact CB-CD1 4.31Å; F408-I419 HydrophobicContact CD1-CD1 4.23Å; F408-I419 HydrophobicContact CD1-CG1 3.98Å; M409-I419 HydrophobicContact CB-CD1 4.03Å; M409-I419 WeakPolarHBondContact O-CD1 3.42Å; Y414-I419 WeakPolarHBondContact O-CB 3.3Å; Y414-I419 WeakPolarHBondContact O-CG2 3.45Å; Y414-I419 PolarHBondContact O-N 3.11Å; I419-D422 PolarHBondContact O-N 2.81Å; I419-G423 PolarHBondContact O-N 2.86Å
420	A	97.8	Very high	97.1	Very high	65 Å²	65	56 Å²	56	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-44.4	175.3	0	0	0	0	0	112.9	G418 A424	G418-A420 PolarHBondContact O-N 2.91Å; G418-A420 VanDerWaalsContact O-N 3.13Å; A420-A424 WeakPolarHBondContact O-CB 3.34Å; A420-A424 PolarHBondContact O-N 2.92Å
421	K	98.1	Very high	97.4	Very high	74 Å²	74	53.2 Å²	53.2	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-72.7	-33.8	178.5	65.5	164.4	-176.2	169.5	0	112	G418 A424 K425 R563 M564	G418-K421 WeakPolarHBondContact O-CG 3.33Å; G418-K421 PolarHBondContact O-N 3.32Å; K421-A424 PolarHBondContact O-N 3.46Å; K421-K425 WeakPolarHBondContact O-CG 3.32Å; K421-K425 PolarHBondContact O-N 2.83Å; K421-K425 VanDerWaalsContact O-N 3.09Å; K421-R563 HydrophobicContact CB-CG 3.96Å; K421-M564 WeakPolarHBondContact CE-OXT 3.43Å; K421-M564 PolarHBondContact NZ-O 2.96Å; K421-M564 PolarHBondContact NZ-OXT 3.36Å
422	D	98.4	Very high	97.7	Very high	7 Å²	7	53 Å²	53	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-72	-40	177.6	-76.4	-10.9	0	0	0	111.1	S379 A382 K383 G418 I419 K425 M426	S379-D422 VanDerWaalsContact CB-OD2 3.29Å; S379-D422 WeakPolarHBondContact CB-OD2 3.4Å; A382-D422 HydrophobicContact CB-CB 4.46Å; A382-D422 WeakPolarHBondContact CB-O 3.5Å; K383-D422 WeakPolarHBondContact CD-OD2 3.38Å; K383-D422 VanDerWaalsContact CE-OD2 3.26Å; K383-D422 WeakPolarHBondContact CE-OD2 3.4Å; K383-D422 HydrophobicContact CG-CB 4.23Å; K383-D422 IonicContact NZ-OD2 2.7Å; K383-D422 PolarHBondContact NZ-OD2 3.19Å; G418-D422 PolarHBondContact O-N 2.95Å; I419-D422 PolarHBondContact O-N 2.81Å; D422-K425 WeakPolarHBondContact O-CB 3.45Å; D422-K425 PolarHBondContact O-N 3.36Å; D422-K425 IonicContact OD1-NZ 3.73Å; D422-K425 PolarHBondContact OD1-NZ 3.37Å; D422-M426 PolarHBondContact O-N 2.74Å
423	G	98	Very high	97.8	Very high	6 Å²	6	42.2 Å²	42.2	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-45.9	167.1	0	0	0	0	0	112	I419 K425 M426 V427	I419-G423 PolarHBondContact O-N 2.86Å; G423-K425 VanDerWaalsContact C-N 3.26Å; G423-K425 PolarHBondContact O-N 3.17Å; G423-M426 WeakPolarHBondContact O-CB 3.42Å; G423-M426 PolarHBondContact O-N 2.91Å; G423-V427 VanDerWaalsContact O-CG2 3.3Å; G423-V427 WeakPolarHBondContact O-CG2 3.32Å; G423-V427 PolarHBondContact O-N 3.13Å
424	A	98.4	Very high	97.9	Very high	39 Å²	39	37.4 Å²	37.4	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-33.5	177.8	0	0	0	0	0	113.4	A420 K421 T428	A420-A424 WeakPolarHBondContact O-CB 3.34Å; A420-A424 PolarHBondContact O-N 2.92Å; K421-A424 PolarHBondContact O-N 3.46Å; A424-T428 WeakPolarHBondContact O-CB 3.4Å; A424-T428 PolarHBondContact O-N 3.04Å; A424-T428 PolarHBondContact O-OG1 3.22Å
425	K	98.7	Very high	98	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.057	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-49.2	171.9	-67.7	176.3	179.3	78.5	0	111	T386 K421 D422 G423 V427 T428 A429 F562 R563 M564	T386-K425 HydrophobicContact CG2-CB 4.11Å; T386-K425 VanDerWaalsContact OG1-C 3.26Å; K421-K425 WeakPolarHBondContact O-CG 3.32Å; K421-K425 PolarHBondContact O-N 2.83Å; K421-K425 VanDerWaalsContact O-N 3.09Å; D422-K425 WeakPolarHBondContact O-CB 3.45Å; D422-K425 PolarHBondContact O-N 3.36Å; D422-K425 IonicContact OD1-NZ 3.73Å; D422-K425 PolarHBondContact OD1-NZ 3.37Å; G423-K425 VanDerWaalsContact C-N 3.26Å; G423-K425 PolarHBondContact O-N 3.17Å; K425-V427 PolarHBondContact O-N 2.89Å; K425-T428 WeakPolarHBondContact O-CB 3.39Å; K425-T428 PolarHBondContact O-N 3.4Å; K425-A429 PolarHBondContact O-N 3.31Å; K425-F562 HydrophobicContact CB-CD1 3.93Å; K425-F562 HydrophobicContact CB-CE1 4.4Å; K425-F562 HydrophobicContact CG-CD1 4.09Å; K425-F562 WeakPolarHBondContact O-CE1 3.36Å; K425-R563 WeakPolarHBondContact CE-O 3.47Å; K425-R563 PolarHBondContact NZ-O 3.01Å; K425-M564 PolarHBondContact NZ-OXT 2.94Å
426	M	98.3	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-46.6	-178.8	-176.2	172.6	-176.8	0	0	111.4	L356 A382 T386 D422 G423 T428 A429 V430 G452 M453	L356-M426 HydrophobicContact CD2-CE 3.87Å; A382-M426 HydrophobicContact CB-CB 4.17Å; A382-M426 HydrophobicContact CB-SD 4.29Å; T386-M426 WeakPolarHBondContact OG1-CA 3.12Å; T386-M426 PolarHBondContact OG1-N 3.44Å; D422-M426 PolarHBondContact O-N 2.74Å; G423-M426 WeakPolarHBondContact O-CB 3.42Å; G423-M426 PolarHBondContact O-N 2.91Å; M426-T428 VanDerWaalsContact C-N 3.3Å; M426-T428 PolarHBondContact O-N 3.24Å; M426-A429 WeakPolarHBondContact O-CB 3.49Å; M426-A429 PolarHBondContact O-N 3.03Å; M426-A429 VanDerWaalsContact O-N 3.13Å; M426-V430 WeakPolarHBondContact O-CG2 3.32Å; M426-V430 PolarHBondContact O-N 3.45Å; M426-G452 WeakPolarHBondContact CE-O 3.21Å; M426-M453 HydrophobicContact CE-SD 3.66Å
427	V	98.2	Very high	98.2	Very high	32 Å²	32	25.3 Å²	25.3	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-37.5	-179.7	-173.7	0	0	0	0	111.3	G423 K425 V430 A431 Y458	G423-V427 VanDerWaalsContact O-CG2 3.3Å; G423-V427 WeakPolarHBondContact O-CG2 3.32Å; G423-V427 PolarHBondContact O-N 3.13Å; K425-V427 PolarHBondContact O-N 2.89Å; V427-V430 PolarHBondContact O-N 3.31Å; V427-A431 WeakPolarHBondContact O-CB 3.32Å; V427-A431 PolarHBondContact O-N 3.41Å; V427-Y458 HydrophobicContact CG1-CE1 3.41Å; V427-Y458 VanDerWaalsContact CG1-CE1 3.41Å; V427-Y458 VanDerWaalsContact CG1-CZ 3.43Å; V427-Y458 WeakPolarHBondContact CG1-OH 3.33Å
428	T	98.8	Very high	98.3	Very high	37 Å²	37	22.9 Å²	22.9	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.5	-58.6	0	0	0	0	111.2	A424 K425 M426 A431 C432 F562	A424-T428 WeakPolarHBondContact O-CB 3.4Å; A424-T428 PolarHBondContact O-N 3.04Å; A424-T428 PolarHBondContact O-OG1 3.22Å; K425-T428 WeakPolarHBondContact O-CB 3.39Å; K425-T428 PolarHBondContact O-N 3.4Å; M426-T428 VanDerWaalsContact C-N 3.3Å; M426-T428 PolarHBondContact O-N 3.24Å; T428-A431 PolarHBondContact O-N 3.02Å; T428-C432 WeakPolarHBondContact O-CB 3.43Å; T428-C432 PolarHBondContact O-N 3.35Å; T428-C432 PolarHBondContact O-SG 3.25Å; T428-F562 HydrophobicContact CG2-CD1 4.46Å; T428-F562 HydrophobicContact CG2-CE1 4.27Å
429	A	98.8	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-46.3	178.8	0	0	0	0	0	111.9	T386 I389 K425 M426 A431 C432 A433 F559 F562	T386-A429 HydrophobicContact CG2-CB 4.12Å; I389-A429 HydrophobicContact CB-CB 4.05Å; I389-A429 HydrophobicContact CD1-CB 4.08Å; I389-A429 HydrophobicContact CG2-CB 3.81Å; K425-A429 PolarHBondContact O-N 3.31Å; M426-A429 WeakPolarHBondContact O-CB 3.49Å; M426-A429 PolarHBondContact O-N 3.03Å; M426-A429 VanDerWaalsContact O-N 3.13Å; A429-A431 PolarHBondContact O-N 3.43Å; A429-C432 PolarHBondContact O-N 3.1Å; A429-A433 VanDerWaalsContact O-CB 3.31Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 3.5Å; A429-F559 HydrophobicContact CB-CE1 4.13Å; A429-F562 HydrophobicContact CB-CE1 4.18Å; A429-F562 HydrophobicContact CB-CZ 4.26Å
430	V	98.5	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-45.6	177.9	175.1	0	0	0	0	111.8	I389 F401 M426 V427 C432 K437 G452 C454 Y458	I389-V430 HydrophobicContact CD1-CG2 3.47Å; I389-V430 VanDerWaalsContact CD1-CG2 3.47Å; F401-V430 HydrophobicContact CE1-CG2 4.11Å; F401-V430 HydrophobicContact CZ-CG2 4.13Å; M426-V430 WeakPolarHBondContact O-CG2 3.32Å; M426-V430 PolarHBondContact O-N 3.45Å; V427-V430 PolarHBondContact O-N 3.31Å; V430-C432 PolarHBondContact O-N 2.84Å; V430-K437 PolarHBondContact O-NZ 2.88Å; V430-G452 WeakPolarHBondContact CG2-O 3.36Å; V430-C454 HydrophobicContact CG1-CB 3.63Å; V430-Y458 HydrophobicContact CB-CD1 4.25Å; V430-Y458 HydrophobicContact CG1-CD1 3.73Å; V430-Y458 HydrophobicContact CG1-CG 3.93Å
431	A	98.6	Very high	98.5	Very high	58 Å²	58	18.9 Å²	18.9	48%	0.479	12%	0.116	S	C	.	.	H	α-helix	trans	-63.2	-42	-178.9	0	0	0	0	0	112.2	V427 T428 A429 Y458	V427-A431 WeakPolarHBondContact O-CB 3.32Å; V427-A431 PolarHBondContact O-N 3.41Å; T428-A431 PolarHBondContact O-N 3.02Å; A429-A431 PolarHBondContact O-N 3.43Å; A431-Y458 HydrophobicContact CB-CD1 4.02Å; A431-Y458 HydrophobicContact CB-CE1 4.05Å
432	C	98.6	Very high	98.5	Very high	30 Å²	30	15.3 Å²	15.3	20%	0.203	10%	0.101	C	C	.	.	H	α-helix	trans	-83.8	-19	-176.2	-57.1	0	0	0	0	113.7	T428 A429 V430 N434 T557 F559 G560	T428-C432 WeakPolarHBondContact O-CB 3.43Å; T428-C432 PolarHBondContact O-N 3.35Å; T428-C432 PolarHBondContact O-SG 3.25Å; A429-C432 PolarHBondContact O-N 3.1Å; V430-C432 PolarHBondContact O-N 2.84Å; C432-N434 PolarHBondContact O-N 2.83Å; C432-N434 VanDerWaalsContact O-N 3.13Å; C432-T557 WeakPolarHBondContact O-CG2 3.25Å; C432-F559 HydrophobicContact CB-CD1 3.67Å; C432-F559 HydrophobicContact CB-CE1 4.26Å; C432-F559 HydrophobicContact CB-CG 4.43Å; C432-G560 PolarHBondContact SG-N 2.88Å; C432-G560 VanDerWaalsContact SG-N 3.37Å
433	A	98.5	Very high	98.5	Very high	2 Å²	2	15 Å²	15	2%	0.017	10%	0.1	C	C	.	.			trans	-61	114.7	-176.4	0	0	0	0	0	112.1	I389 C393 L399 A429 V435 K437	I389-A433 HydrophobicContact CG2-CB 3.95Å; C393-A433 WeakPolarHBondContact SG-CB 3.39Å; L399-A433 HydrophobicContact CD1-CB 4.38Å; A429-A433 VanDerWaalsContact O-CB 3.31Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 3.5Å; A433-V435 HydrophobicContact CB-CG2 4.46Å; A433-K437 HydrophobicContact CB-CD 4.24Å; A433-K437 PolarHBondContact O-NZ 3.43Å
434	N	97.5	Very high	98.4	Very high	65 Å²	65	14.8 Å²	14.8	35%	0.348	10%	0.097	S	C	.	.			trans	-90.9	-11.3	-178.2	-83	-28.9	0	0	0	114.3	C432 K555 K556 T557	C432-N434 PolarHBondContact O-N 2.83Å; C432-N434 VanDerWaalsContact O-N 3.13Å; N434-K555 HydrophobicContact CB-CB 3.91Å; N434-K555 WeakPolarHBondContact CB-O 3.48Å; N434-K556 PolarHBondContact ND2-O 3.49Å; N434-T557 PolarHBondContact N-OG1 3.29Å
435	V	98.2	Very high	98.4	Very high	5 Å²	5	13 Å²	13	3%	0.03	8%	0.082	C	C	.	.	S	Bend	trans	-60.9	152.6	169.2	-64.6	0	0	0	0	110.3	L399 A433 K437	L399-V435 HydrophobicContact CD1-CG2 3.83Å; L399-V435 HydrophobicContact CG-CG2 4.06Å; A433-V435 HydrophobicContact CB-CG2 4.46Å; V435-K437 PolarHBondContact O-N 2.84Å
436	P	98.4	Very high	98.3	Very high	12 Å²	12	13.9 Å²	13.9	8%	0.078	9%	0.085	C	C	.	.			trans	-54.5	130.6	173.5	-26	35.4	0	0	0	111.3	P398 L399 M438 R461 A549	P398-P436 CarbonylContact C-O 3.59Å; P398-P436 VanDerWaalsContact CA-O 3.32Å; P398-P436 WeakPolarHBondContact CA-O 3.4Å; P398-P436 HydrophobicContact CB-CB 4.19Å; P398-P436 HydrophobicContact CG-CB 4.45Å; P398-P436 HydrophobicContact CG-CG 4.32Å; L399-P436 PolarHBondContact N-O 2.83Å; P436-M438 HydrophobicContact CB-SD 4.14Å; P436-R461 HydrophobicContact CB-CG 4.22Å; P436-A549 HydrophobicContact CB-CB 3.89Å; P436-A549 HydrophobicContact CG-CB 4.17Å
437	K	98.8	Very high	98.1	Very high	16 Å²	16	14.8 Å²	14.8	7%	0.07	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.6	175.3	-59.1	-176.9	-68.4	-106	0	108.8	L399 F401 V430 A433 V435 Y458 P460 R461	L399-K437 HydrophobicContact CB-CG 4.34Å; L399-K437 HydrophobicContact CD1-CG 4.47Å; L399-K437 CarbonylContact O-C 3.57Å; L399-K437 WeakPolarHBondContact O-CA 3.25Å; F401-K437 HydrophobicContact CE2-CB 4.22Å; F401-K437 HydrophobicContact CE2-CD 4.23Å; F401-K437 HydrophobicContact CE2-CG 4.25Å; V430-K437 PolarHBondContact O-NZ 2.88Å; A433-K437 HydrophobicContact CB-CD 4.24Å; A433-K437 PolarHBondContact O-NZ 3.43Å; V435-K437 PolarHBondContact O-N 2.84Å; K437-Y458 WeakPolarHBondContact CE-O 3.4Å; K437-P460 HydrophobicContact CB-CB 4.43Å; K437-P460 CarbonylContact O-C 3.56Å; K437-P460 WeakPolarHBondContact O-CA 3.33Å; K437-P460 WeakPolarHBondContact O-CB 3.13Å; K437-R461 PolarHBondContact O-N 2.92Å
438	M	98.8	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.8	172.2	-65.6	74.8	63	0	0	109.4	P398 L399 I400 F401 P436 F462 L542 L546	P398-M438 HydrophobicContact CB-CE 4.18Å; L399-M438 PolarHBondContact O-N 2.93Å; I400-M438 CarbonylContact C-O 3.58Å; I400-M438 WeakPolarHBondContact CA-O 3.35Å; I400-M438 HydrophobicContact CG1-CE 3.88Å; F401-M438 PolarHBondContact N-O 2.86Å; P436-M438 HydrophobicContact CB-SD 4.14Å; M438-F462 WeakPolarHBondContact CA-O 3.37Å; M438-F462 HydrophobicContact CG-CB 4.45Å; M438-F462 HydrophobicContact CG-CD2 4.3Å; M438-L542 HydrophobicContact CB-CD2 4.06Å; M438-L546 HydrophobicContact CE-CD2 3.23Å; M438-L546 HydrophobicContact CE-CG 3.71Å
439	T	98.9	Very high	97.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.2	-177	-62.1	0	0	0	0	109.7	F401 Q403 C454 F462 L463 Y464	F401-T439 HydrophobicContact CB-CG2 4.35Å; F401-T439 WeakPolarHBondContact O-CA 3.35Å; Q403-T439 HydrophobicContact CG-CG2 3.78Å; T439-C454 PolarHBondContact OG1-O 3.22Å; T439-F462 PolarHBondContact N-O 3.34Å; T439-L463 HydrophobicContact CG2-CD1 4.17Å; T439-L463 HydrophobicContact CG2-CG 3.97Å; T439-L463 CarbonylContact O-C 3.59Å; T439-L463 WeakPolarHBondContact O-CA 3.39Å; T439-Y464 PolarHBondContact O-N 2.88Å
440	V	98.9	Very high	97.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.8	169.6	-170.3	0	0	0	0	108	F401 L402 Q403 I442 Y464 I533 T538 L542	F401-V440 PolarHBondContact O-N 3.14Å; L402-V440 WeakPolarHBondContact CA-O 3.31Å; L402-V440 HydrophobicContact CD2-CB 4.12Å; L402-V440 HydrophobicContact CD2-CG2 4.44Å; Q403-V440 PolarHBondContact N-O 3.16Å; V440-I442 HydrophobicContact CB-CG2 4.26Å; V440-I442 HydrophobicContact CG1-CG2 3.74Å; V440-I442 PolarHBondContact O-N 2.86Å; V440-Y464 WeakPolarHBondContact CA-O 3.17Å; V440-I533 HydrophobicContact CG1-CD1 4.42Å; V440-T538 HydrophobicContact CG1-CG2 4.42Å; V440-T538 HydrophobicContact CG2-CG2 4.34Å; V440-L542 HydrophobicContact CG2-CD1 4.41Å; V440-L542 HydrophobicContact CG2-CD2 4Å; V440-L542 HydrophobicContact CG2-CG 4.39Å
441	I	98.8	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	106.7	173.2	-49.1	-176.2	0	0	0	108.1	Q403 L463 Y464 M465 W466 I471	Q403-I441 HydrophobicContact CB-CB 4.45Å; Q403-I441 HydrophobicContact CB-CG1 4.28Å; Q403-I441 HydrophobicContact CB-CG2 4.29Å; Q403-I441 HydrophobicContact CG-CG1 4.43Å; I441-L463 HydrophobicContact CD1-CD2 4.05Å; I441-L463 HydrophobicContact CG1-CD2 4.29Å; I441-Y464 PolarHBondContact N-O 2.77Å; I441-M465 HydrophobicContact CB-CG 4.1Å; I441-M465 HydrophobicContact CD1-CE 4.08Å; I441-M465 HydrophobicContact CD1-CG 3.95Å; I441-M465 HydrophobicContact CD1-SD 4.16Å; I441-M465 HydrophobicContact CG1-CG 4.17Å; I441-W466 PolarHBondContact O-N 3.41Å; I441-I471 HydrophobicContact CD1-CD1 4.12Å
442	I	98.6	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-6.2	-175.2	63.4	168.9	0	0	0	112.8	F330 V332 V335 L402 Q403 N404 V440 W466 N468	F330-I442 HydrophobicContact CE2-CD1 4.08Å; F330-I442 HydrophobicContact CZ-CD1 3.89Å; F330-I442 HydrophobicContact CZ-CG1 4.37Å; V332-I442 HydrophobicContact CG2-CD1 4.1Å; V335-I442 HydrophobicContact CG1-CD1 4.44Å; V335-I442 HydrophobicContact CG2-CD1 4.27Å; L402-I442 HydrophobicContact CB-CD1 4.04Å; Q403-I442 VanDerWaalsContact O-CG1 3.32Å; Q403-I442 WeakPolarHBondContact O-CG1 3.24Å; Q403-I442 PolarHBondContact O-N 3.37Å; N404-I442 HydrophobicContact CB-CG1 4.13Å; V440-I442 HydrophobicContact CB-CG2 4.26Å; V440-I442 HydrophobicContact CG1-CG2 3.74Å; V440-I442 PolarHBondContact O-N 2.86Å; I442-W466 HydrophobicContact CB-CD2 3.91Å; I442-W466 HydrophobicContact CB-CE3 3.8Å; I442-W466 HydrophobicContact CB-CH2 4.24Å; I442-W466 HydrophobicContact CB-CZ2 4.34Å; I442-W466 HydrophobicContact CB-CZ3 3.99Å; I442-W466 HydrophobicContact CG2-CD2 3.76Å; I442-W466 HydrophobicContact CG2-CE3 4.11Å; I442-W466 HydrophobicContact CG2-CG 4.33Å; I442-W466 HydrophobicContact CG2-CH2 4.06Å; I442-W466 HydrophobicContact CG2-CZ2 3.71Å; I442-W466 HydrophobicContact CG2-CZ3 4.27Å; I442-N468 PolarHBondContact O-ND2 3.34Å; I442-N468 VanDerWaalsContact O-ND2 3.14Å
443	G	97.7	Very high	97.7	Very high	1 Å²	1	16 Å²	16	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	-121.3	178.3	0	0	0	0	0	111.4	Q403 S469 R470	Q403-G443 PolarHBondContact O-N 3.37Å; G443-S469 CarbonylContact O-C 3.54Å; G443-S469 WeakPolarHBondContact O-CA 3.39Å; G443-S469 VanDerWaalsContact O-CB 3.23Å; G443-S469 WeakPolarHBondContact O-CB 3.41Å; G443-R470 PolarHBondContact O-N 2.97Å
444	G	96.6	Very high	97.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.7	177.3	0	0	0	0	0	113.8	N404 I405 R470	N404-G444 CarbonylContact C-O 3.52Å; N404-G444 WeakPolarHBondContact CA-O 3.45Å; N404-G444 PolarHBondContact OD1-N 3.21Å; I405-G444 PolarHBondContact N-O 3.05Å; I405-G444 CarbonylContact O-C 3.31Å; G444-R470 CarbonylContact C-O 3.55Å
445	S	97.8	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	89.1	167	-170.6	0	0	0	0	109.5	Q403 N450 R470 I471 S472	Q403-S445 PolarHBondContact OE1-OG 3.32Å; S445-N450 PolarHBondContact OG-ND2 3.41Å; S445-R470 PolarHBondContact N-O 3.37Å; S445-I471 WeakPolarHBondContact O-CA 3.22Å; S445-S472 PolarHBondContact O-N 2.77Å
446	Y	96.6	Very high	97.8	Very high	32 Å²	32	15.4 Å²	15.4	13%	0.125	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.5	-170.5	-58.3	-71.8	0	0	0	113.2	I405 T406 G449 R470 S472	I405-Y446 WeakPolarHBondContact O-CD2 3.48Å; I405-Y446 PolarHBondContact O-N 2.89Å; T406-Y446 HydrophobicContact CG2-CD2 4.24Å; Y446-G449 PolarHBondContact O-N 3.04Å; Y446-R470 HydrophobicContact CE1-CB 4.46Å; Y446-R470 VanDerWaalsContact OH-CB 3.24Å; Y446-R470 WeakPolarHBondContact OH-CB 3.46Å; Y446-S472 WeakPolarHBondContact CA-O 3.1Å; Y446-S472 WeakPolarHBondContact CD1-OG 3.35Å; Y446-S472 WeakPolarHBondContact CE1-OG 3.46Å
447	G	95.4	Very high	97.8	Very high	19 Å²	19	18.7 Å²	18.7	20%	0.196	11%	0.108	C	C	.	.	H	α-helix	trans	52.8	-140	168.5	0	0	0	0	0	114.7	G449 N450 S472 V473	G447-G449 PolarHBondContact O-N 3.3Å; G447-G449 VanDerWaalsContact O-N 3.14Å; G447-N450 VanDerWaalsContact O-CB 3.32Å; G447-N450 WeakPolarHBondContact O-CB 3.45Å; G447-N450 PolarHBondContact O-N 3.46Å; G447-N450 VanDerWaalsContact O-N 3.12Å; G447-S472 PolarHBondContact N-O 3.28Å; G447-V473 WeakPolarHBondContact CA-O 3.45Å; G447-V473 PolarHBondContact N-O 3.5Å; G447-V473 VanDerWaalsContact N-O 3.1Å
448	A	94.4	Very high	97.8	Very high	49 Å²	49	20.1 Å²	20.1	41%	0.405	11%	0.113	S	C	.	.	H	α-helix	trans	-63.7	-18.8	-178.6	0	0	0	0	0	113.9	F408 N450 Y451 G452	F408-A448 HydrophobicContact CD2-CB 3.94Å; F408-A448 HydrophobicContact CE2-CB 4.22Å; A448-N450 VanDerWaalsContact C-N 3.3Å; A448-N450 PolarHBondContact O-N 3.25Å; A448-Y451 HydrophobicContact CB-CD2 4.34Å; A448-Y451 WeakPolarHBondContact O-CB 3.4Å; A448-Y451 PolarHBondContact O-N 2.76Å; A448-G452 PolarHBondContact O-N 3.05Å
449	G	95.9	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-38.2	173.6	0	0	0	0	0	112.4	Y446 G447 Y451 G452 M453	Y446-G449 PolarHBondContact O-N 3.04Å; G447-G449 PolarHBondContact O-N 3.3Å; G447-G449 VanDerWaalsContact O-N 3.14Å; G449-Y451 PolarHBondContact O-N 3.12Å; G449-G452 PolarHBondContact O-N 3.4Å; G449-M453 WeakPolarHBondContact O-CB 3.47Å; G449-M453 WeakPolarHBondContact O-CG 3.38Å; G449-M453 PolarHBondContact O-N 3.4Å
450	N	98.3	Very high	97.7	Very high	20 Å²	20	23.1 Å²	23.1	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-55.5	-40.3	174.4	178.1	-87.2	0	0	0	111.5	S445 G447 A448 G455	S445-N450 PolarHBondContact OG-ND2 3.41Å; G447-N450 VanDerWaalsContact O-CB 3.32Å; G447-N450 WeakPolarHBondContact O-CB 3.45Å; G447-N450 PolarHBondContact O-N 3.46Å; G447-N450 VanDerWaalsContact O-N 3.12Å; A448-N450 VanDerWaalsContact C-N 3.3Å; A448-N450 PolarHBondContact O-N 3.25Å; N450-G455 WeakPolarHBondContact O-CA 3.32Å; N450-G455 PolarHBondContact O-N 2.74Å
451	Y	98.1	Very high	97.7	Very high	113 Å²	113	24.6 Å²	24.6	44%	0.443	14%	0.139	S	C	.	.	H	α-helix	trans	-70	-50.5	-178.4	-53.8	-25.4	0	0	0	112	A448 G449 M453 C454 Y458	A448-Y451 HydrophobicContact CB-CD2 4.34Å; A448-Y451 WeakPolarHBondContact O-CB 3.4Å; A448-Y451 PolarHBondContact O-N 2.76Å; G449-Y451 PolarHBondContact O-N 3.12Å; Y451-M453 PolarHBondContact O-N 2.78Å; Y451-C454 PolarHBondContact O-N 3.3Å; Y451-Y458 VanDerWaalsContact CA-CE2 3.41Å; Y451-Y458 AromaticContact CD1-CE2 3.93Å; Y451-Y458 HydrophobicContact CD1-CE2 3.93Å; Y451-Y458 AromaticContact CG-CE2 4Å; Y451-Y458 HydrophobicContact CG-CE2 4Å
452	G	97.2	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-25.8	178.2	0	0	0	0	0	113.1	M426 V430 A448 G449	M426-G452 WeakPolarHBondContact CE-O 3.21Å; V430-G452 WeakPolarHBondContact CG2-O 3.36Å; A448-G452 PolarHBondContact O-N 3.05Å; G449-G452 PolarHBondContact O-N 3.4Å
453	M	98.6	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	23.1	-178.1	-63.8	-59.3	-65.3	0	0	114.1	L356 I371 N373 F401 Q403 I405 M426 G449 Y451	L356-M453 HydrophobicContact CD1-CE 4.1Å; L356-M453 HydrophobicContact CD1-SD 3.77Å; I371-M453 HydrophobicContact CB-CE 4.41Å; I371-M453 HydrophobicContact CG2-CE 3.83Å; I371-M453 HydrophobicContact CG2-SD 4.13Å; I371-M453 WeakPolarHBondContact O-CE 3.46Å; N373-M453 PolarHBondContact ND2-SD 3.25Å; N373-M453 VanDerWaalsContact ND2-SD 3.41Å; N373-M453 WeakPolarHBondContact OD1-CE 3.31Å; F401-M453 HydrophobicContact CB-CE 4.49Å; F401-M453 WeakPolarHBondContact CB-O 3.11Å; F401-M453 HydrophobicContact CD1-CB 4.49Å; F401-M453 HydrophobicContact CD1-CE 4.08Å; F401-M453 WeakPolarHBondContact CD1-O 3.13Å; F401-M453 HydrophobicContact CD1-SD 4.47Å; F401-M453 WeakPolarHBondContact CG-O 3.22Å; Q403-M453 HydrophobicContact CG-CB 3.81Å; Q403-M453 PolarHBondContact NE2-O 3.09Å; I405-M453 HydrophobicContact CG2-CG 4.42Å; M426-M453 HydrophobicContact CE-SD 3.66Å; G449-M453 WeakPolarHBondContact O-CB 3.47Å; G449-M453 WeakPolarHBondContact O-CG 3.38Å; G449-M453 PolarHBondContact O-N 3.4Å; Y451-M453 PolarHBondContact O-N 2.78Å
454	C	98.7	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	49.8	177.1	-166.5	0	0	0	0	113.7	F401 V430 T439 Y451	F401-C454 HydrophobicContact CD1-CB 3.92Å; F401-C454 HydrophobicContact CD2-CB 3.51Å; F401-C454 HydrophobicContact CE1-CB 3.91Å; F401-C454 HydrophobicContact CE2-CB 3.52Å; F401-C454 HydrophobicContact CG-CB 3.72Å; F401-C454 HydrophobicContact CZ-CB 3.72Å; V430-C454 HydrophobicContact CG1-CB 3.63Å; T439-C454 PolarHBondContact OG1-O 3.22Å; Y451-C454 PolarHBondContact O-N 3.3Å
455	G	98.5	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.			trans	-63.5	-179.9	168.4	0	0	0	0	0	113.1	N450 A457 Y458	N450-G455 WeakPolarHBondContact O-CA 3.32Å; N450-G455 PolarHBondContact O-N 2.74Å; G455-A457 PolarHBondContact O-N 2.99Å; G455-Y458 PolarHBondContact O-N 3.03Å
456	R	98.4	Very high	97.9	Very high	61 Å²	61	24.7 Å²	24.7	23%	0.23	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-50.9	-38.9	-169.7	-175.2	56.5	175.5	-138.2	6.8	114.5	Y458 S459 L463 W528 D530	R456-Y458 PolarHBondContact O-N 3.44Å; R456-S459 PolarHBondContact O-N 3.37Å; R456-L463 HydrophobicContact CB-CD1 4.2Å; R456-W528 WeakPolarHBondContact CB-O 3.36Å; R456-W528 VanDerWaalsContact CD-O 3.32Å; R456-W528 WeakPolarHBondContact CD-O 3.42Å; R456-W528 WeakPolarHBondContact CG-O 3.35Å; R456-D530 IonicContact CZ-OD1 2.91Å; R456-D530 IonicContact NH1-OD1 3.18Å; R456-D530 PolarHBondContact NH1-OD1 3.37Å; R456-D530 IonicContact NH2-OD1 2.99Å
457	A	98.3	Very high	98	Very high	80 Å²	80	23.3 Å²	23.3	66%	0.661	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-67.8	-16.7	-178.9	0	0	0	0	0	114.3	G455 S459	G455-A457 PolarHBondContact O-N 2.99Å; A457-S459 VanDerWaalsContact C-N 3.29Å
458	Y	98.4	Very high	98.2	Very high	47 Å²	47	22.5 Å²	22.5	18%	0.184	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-94.6	12.9	-179.4	-68.8	-93	0	0	0	112.9	V427 V430 A431 K437 Y451 G455 R456	V427-Y458 HydrophobicContact CG1-CE1 3.41Å; V427-Y458 VanDerWaalsContact CG1-CE1 3.41Å; V427-Y458 VanDerWaalsContact CG1-CZ 3.43Å; V427-Y458 WeakPolarHBondContact CG1-OH 3.33Å; V430-Y458 HydrophobicContact CB-CD1 4.25Å; V430-Y458 HydrophobicContact CG1-CD1 3.73Å; V430-Y458 HydrophobicContact CG1-CG 3.93Å; A431-Y458 HydrophobicContact CB-CD1 4.02Å; A431-Y458 HydrophobicContact CB-CE1 4.05Å; K437-Y458 WeakPolarHBondContact CE-O 3.4Å; Y451-Y458 VanDerWaalsContact CA-CE2 3.41Å; Y451-Y458 AromaticContact CD1-CE2 3.93Å; Y451-Y458 HydrophobicContact CD1-CE2 3.93Å; Y451-Y458 AromaticContact CG-CE2 4Å; Y451-Y458 HydrophobicContact CG-CE2 4Å; G455-Y458 PolarHBondContact O-N 3.03Å; R456-Y458 PolarHBondContact O-N 3.44Å
459	S	98	Very high	98.3	Very high	61 Å²	61	20.2 Å²	20.2	43%	0.427	11%	0.106	S	C	.	.			trans	50.9	54.7	173.1	-52.4	0	0	0	0	113.4	R456 A457	R456-S459 PolarHBondContact O-N 3.37Å; A457-S459 VanDerWaalsContact C-N 3.29Å
460	P	98.6	Very high	98.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.115	C	C	.	.			trans	-59.7	145.7	163.6	29.6	-33.9	0	0	0	109.1	K437 F462 L463	K437-P460 HydrophobicContact CB-CB 4.43Å; K437-P460 CarbonylContact O-C 3.56Å; K437-P460 WeakPolarHBondContact O-CA 3.33Å; K437-P460 WeakPolarHBondContact O-CB 3.13Å; P460-F462 PolarHBondContact O-N 3Å; P460-L463 HydrophobicContact CG-CB 3.93Å; P460-L463 HydrophobicContact CG-CD1 4.15Å
461	R	98.6	Very high	98.4	Very high	31 Å²	31	22.8 Å²	22.8	12%	0.117	12%	0.116	C	C	.	.	S	Bend	trans	-56.4	-39.8	174.5	-58.9	-56.8	-177.8	86.1	-2.1	110.1	R156 Q163 N164 P436 K437 A549	R156-R461 PolarHBondContact NH2-O 3.35Å; Q163-R461 VanDerWaalsContact O-CZ 3.26Å; Q163-R461 PolarHBondContact O-NH1 3.32Å; N164-R461 WeakPolarHBondContact OD1-CD 3.06Å; N164-R461 PolarHBondContact OD1-NH1 2.82Å; P436-R461 HydrophobicContact CB-CG 4.22Å; K437-R461 PolarHBondContact O-N 2.92Å; R461-A549 HydrophobicContact CG-CB 4.43Å
462	F	98.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.5	175	-56.9	-86.3	0	0	0	110.8	I124 I160 M438 T439 P460 Y464 D530 A548	I124-F462 HydrophobicContact CD1-CE1 3.82Å; I124-F462 HydrophobicContact CD1-CZ 3.6Å; I160-F462 HydrophobicContact CD1-CD1 4.37Å; I160-F462 HydrophobicContact CD1-CE1 4.13Å; I160-F462 HydrophobicContact CG1-CE1 4.36Å; I160-F462 HydrophobicContact CG2-CE1 3.73Å; I160-F462 HydrophobicContact CG2-CZ 3.86Å; M438-F462 WeakPolarHBondContact CA-O 3.37Å; M438-F462 HydrophobicContact CG-CB 4.45Å; M438-F462 HydrophobicContact CG-CD2 4.3Å; T439-F462 PolarHBondContact N-O 3.34Å; P460-F462 PolarHBondContact O-N 3Å; F462-Y464 HydrophobicContact CB-CD2 4.4Å; F462-Y464 HydrophobicContact CB-CE2 3.55Å; F462-Y464 VanDerWaalsContact CD1-OH 3.3Å; F462-Y464 WeakPolarHBondContact CD1-OH 3.32Å; F462-Y464 HydrophobicContact CG-CE2 4.35Å; F462-D530 WeakPolarHBondContact CA-OD2 3.35Å; F462-A548 HydrophobicContact CZ-CB 4.3Å
463	L	98.9	Very high	98.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.5	172	-170.3	157.9	0	0	0	109.4	T439 I441 R456 P460 M465 D529 D530	T439-L463 HydrophobicContact CG2-CD1 4.17Å; T439-L463 HydrophobicContact CG2-CG 3.97Å; T439-L463 CarbonylContact O-C 3.59Å; T439-L463 WeakPolarHBondContact O-CA 3.39Å; I441-L463 HydrophobicContact CD1-CD2 4.05Å; I441-L463 HydrophobicContact CG1-CD2 4.29Å; R456-L463 HydrophobicContact CB-CD1 4.2Å; P460-L463 HydrophobicContact CG-CB 3.93Å; P460-L463 HydrophobicContact CG-CD1 4.15Å; L463-M465 HydrophobicContact CD2-CG 4.25Å; L463-D529 HydrophobicContact CD2-CB 3.52Å; L463-D530 PolarHBondContact N-OD2 3.09Å; L463-D530 WeakPolarHBondContact O-CB 3.23Å; L463-D530 PolarHBondContact O-N 2.73Å
464	Y	98.9	Very high	98	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	160.5	177.6	-55.3	-71.4	0	0	0	111.6	T439 V440 I441 F462 D530 G531 I533 V541 S545	T439-Y464 PolarHBondContact O-N 2.88Å; V440-Y464 WeakPolarHBondContact CA-O 3.17Å; I441-Y464 PolarHBondContact N-O 2.77Å; F462-Y464 HydrophobicContact CB-CD2 4.4Å; F462-Y464 HydrophobicContact CB-CE2 3.55Å; F462-Y464 VanDerWaalsContact CD1-OH 3.3Å; F462-Y464 WeakPolarHBondContact CD1-OH 3.32Å; F462-Y464 HydrophobicContact CG-CE2 4.35Å; Y464-D530 HydrophobicContact CE1-CB 4.27Å; Y464-G531 WeakPolarHBondContact CA-O 3.43Å; Y464-I533 HydrophobicContact CD1-CG2 3.99Å; Y464-I533 HydrophobicContact CG-CD1 4.29Å; Y464-I533 HydrophobicContact CG-CG2 4.32Å; Y464-V541 HydrophobicContact CD1-CG1 4.16Å; Y464-V541 HydrophobicContact CD2-CG1 3.64Å; Y464-V541 HydrophobicContact CE1-CG1 3.88Å; Y464-V541 HydrophobicContact CE2-CG1 3.31Å; Y464-V541 HydrophobicContact CG-CG1 4.04Å; Y464-V541 VanDerWaalsContact CZ-CG1 3.43Å; Y464-S545 WeakPolarHBondContact CE2-OG 3.31Å; Y464-S545 PolarHBondContact OH-OG 3.03Å
465	M	98.8	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.9	176.3	-65.4	-171.9	69.9	0	0	110.7	I441 L463 S469 I471 P520 S523 D529 G531 I532 I533	I441-M465 HydrophobicContact CB-CG 4.1Å; I441-M465 HydrophobicContact CD1-CE 4.08Å; I441-M465 HydrophobicContact CD1-CG 3.95Å; I441-M465 HydrophobicContact CD1-SD 4.16Å; I441-M465 HydrophobicContact CG1-CG 4.17Å; L463-M465 HydrophobicContact CD2-CG 4.25Å; M465-S469 WeakPolarHBondContact CE-OG 3.41Å; M465-I471 HydrophobicContact CE-CB 4.15Å; M465-I471 HydrophobicContact CE-CG2 3.82Å; M465-P520 HydrophobicContact CB-CB 4.46Å; M465-P520 HydrophobicContact CE-CB 4.14Å; M465-S523 PolarHBondContact SD-OG 2.86Å; M465-D529 HydrophobicContact CG-CB 3.71Å; M465-D529 HydrophobicContact SD-CB 3.83Å; M465-D529 VanDerWaalsContact SD-OD2 3.37Å; M465-G531 PolarHBondContact N-O 3.05Å; M465-I532 CarbonylContact O-C 3.57Å; M465-I532 VanDerWaalsContact O-CA 3.25Å; M465-I532 WeakPolarHBondContact O-CA 3.43Å; M465-I533 PolarHBondContact O-N 3.47Å
466	W	98.8	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.			trans	-83.2	156.8	165.6	-74.5	6.2	0	0	0	110.8	M50 L318 V322 V335 I441 I442 N468 S469 P535 T538	M50-W466 HydrophobicContact CE-CE3 4.41Å; L318-W466 HydrophobicContact CB-CH2 4.31Å; L318-W466 HydrophobicContact CD1-CH2 4.16Å; L318-W466 HydrophobicContact CD1-CZ2 4.2Å; L318-W466 HydrophobicContact CD2-CH2 4.24Å; L318-W466 HydrophobicContact CG-CH2 4.48Å; V322-W466 HydrophobicContact CB-CZ3 3.86Å; V322-W466 HydrophobicContact CG1-CE3 4.25Å; V322-W466 HydrophobicContact CG1-CZ3 3.89Å; V322-W466 HydrophobicContact CG2-CH2 4.22Å; V322-W466 HydrophobicContact CG2-CZ3 3.67Å; V335-W466 HydrophobicContact CG1-CH2 4.03Å; V335-W466 HydrophobicContact CG1-CZ2 4.3Å; V335-W466 HydrophobicContact CG2-CH2 4.41Å; I441-W466 PolarHBondContact O-N 3.41Å; I442-W466 HydrophobicContact CB-CD2 3.91Å; I442-W466 HydrophobicContact CB-CE3 3.8Å; I442-W466 HydrophobicContact CB-CH2 4.24Å; I442-W466 HydrophobicContact CB-CZ2 4.34Å; I442-W466 HydrophobicContact CB-CZ3 3.99Å; I442-W466 HydrophobicContact CG2-CD2 3.76Å; I442-W466 HydrophobicContact CG2-CE3 4.11Å; I442-W466 HydrophobicContact CG2-CG 4.33Å; I442-W466 HydrophobicContact CG2-CH2 4.06Å; I442-W466 HydrophobicContact CG2-CZ2 3.71Å; I442-W466 HydrophobicContact CG2-CZ3 4.27Å; W466-N468 WeakPolarHBondContact CB-OD1 3.44Å; W466-N468 PolarHBondContact O-N 2.99Å; W466-S469 WeakPolarHBondContact O-CB 3.4Å; W466-S469 PolarHBondContact O-N 3.13Å; W466-S469 VanDerWaalsContact O-N 3.08Å; W466-S469 PolarHBondContact O-OG 2.93Å; W466-P535 HydrophobicContact CB-CG 4.43Å; W466-P535 HydrophobicContact CD2-CB 3.8Å; W466-P535 HydrophobicContact CD2-CG 3.74Å; W466-P535 HydrophobicContact CE3-CB 3.92Å; W466-P535 HydrophobicContact CE3-CG 3.86Å; W466-P535 HydrophobicContact CG-CB 4.43Å; W466-P535 HydrophobicContact CG-CG 4.01Å; W466-P535 HydrophobicContact CH2-CB 3.91Å; W466-P535 HydrophobicContact CZ2-CB 3.78Å; W466-P535 HydrophobicContact CZ3-CB 3.96Å; W466-P535 HydrophobicContact CZ3-CG 4.33Å; W466-T538 PolarHBondContact NE1-OG1 3.48Å
467	P	98.6	Very high	97	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.019	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.1	-175.2	30.5	-38.3	0	0	0	113.8	M50 L53 V54 P520 I532 I533	M50-P467 HydrophobicContact SD-CG 4.07Å; L53-P467 HydrophobicContact CB-CB 4.04Å; L53-P467 HydrophobicContact CB-CG 4.18Å; V54-P467 HydrophobicContact CG2-CG 4.2Å; P467-P520 WeakPolarHBondContact O-CG 3.49Å; P467-I532 HydrophobicContact CB-CG2 4.07Å; P467-I533 WeakPolarHBondContact CD-O 3.44Å
468	N	98.3	Very high	96.7	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.3	171.9	69.9	-37.2	0	0	0	113.8	M50 L53 V322 G323 D324 I442 W466 R470	M50-N468 HydrophobicContact CE-CB 3.82Å; M50-N468 HydrophobicContact SD-CB 4.2Å; L53-N468 HydrophobicContact CD1-CB 3.94Å; V322-N468 WeakPolarHBondContact CG1-ND2 3.34Å; G323-N468 PolarHBondContact O-ND2 3.42Å; D324-N468 HydrophobicContact CB-CB 4.45Å; I442-N468 PolarHBondContact O-ND2 3.34Å; I442-N468 VanDerWaalsContact O-ND2 3.14Å; W466-N468 WeakPolarHBondContact CB-OD1 3.44Å; W466-N468 PolarHBondContact O-N 2.99Å; N468-R470 PolarHBondContact O-NH1 3.42Å; N468-R470 VanDerWaalsContact O-NH1 3.12Å
469	S	98.1	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.			trans	-65.5	159.4	-168.4	64.3	0	0	0	0	113.1	G443 M465 W466 P520	G443-S469 CarbonylContact O-C 3.54Å; G443-S469 WeakPolarHBondContact O-CA 3.39Å; G443-S469 VanDerWaalsContact O-CB 3.23Å; G443-S469 WeakPolarHBondContact O-CB 3.41Å; M465-S469 WeakPolarHBondContact CE-OG 3.41Å; W466-S469 WeakPolarHBondContact O-CB 3.4Å; W466-S469 PolarHBondContact O-N 3.13Å; W466-S469 VanDerWaalsContact O-N 3.08Å; W466-S469 PolarHBondContact O-OG 2.93Å; S469-P520 WeakPolarHBondContact O-CD 3.35Å
470	R	97.9	Very high	96.2	Very high	47 Å²	47	26.9 Å²	26.9	18%	0.177	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.9	173.4	-67.9	-66.2	-179	-76.9	-3.9	110.8	L326 G443 G444 S445 Y446 N468 E515 G518	L326-R470 HydrophobicContact CD1-CB 3.7Å; L326-R470 HydrophobicContact CD1-CG 3.41Å; L326-R470 VanDerWaalsContact CD1-CG 3.41Å; G443-R470 PolarHBondContact O-N 2.97Å; G444-R470 CarbonylContact C-O 3.55Å; S445-R470 PolarHBondContact N-O 3.37Å; Y446-R470 HydrophobicContact CE1-CB 4.46Å; Y446-R470 VanDerWaalsContact OH-CB 3.24Å; Y446-R470 WeakPolarHBondContact OH-CB 3.46Å; N468-R470 PolarHBondContact O-NH1 3.42Å; N468-R470 VanDerWaalsContact O-NH1 3.12Å; R470-E515 IonicContact CZ-OE1 3.29Å; R470-E515 IonicContact NE-OE1 3.46Å; R470-E515 PolarHBondContact NE-OE1 3.07Å; R470-E515 IonicContact NE-OE2 3.57Å; R470-E515 IonicContact NH2-OE1 2.83Å; R470-E515 PolarHBondContact NH2-OE1 2.91Å; R470-G518 VanDerWaalsContact CA-O 3.28Å; R470-G518 WeakPolarHBondContact CA-O 3.4Å; R470-G518 WeakPolarHBondContact CD-O 3.34Å
471	I	97.8	Very high	96	Very high	27 Å²	27	29.9 Å²	29.9	14%	0.138	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.5	179.3	-173.5	169.4	0	0	0	111.4	I441 S445 M465 G518 W528	I441-I471 HydrophobicContact CD1-CD1 4.12Å; S445-I471 WeakPolarHBondContact O-CA 3.22Å; M465-I471 HydrophobicContact CE-CB 4.15Å; M465-I471 HydrophobicContact CE-CG2 3.82Å; I471-G518 PolarHBondContact N-O 3.39Å; I471-G518 VanDerWaalsContact O-CA 3.26Å; I471-G518 WeakPolarHBondContact O-CA 3.24Å; I471-W528 HydrophobicContact CG2-CE3 4.18Å; I471-W528 HydrophobicContact CG2-CZ3 4.44Å
472	S	96.6	Very high	95.8	Very high	29 Å²	29	32 Å²	32	20%	0.203	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	173.5	175.3	63.9	0	0	0	0	111.3	S445 Y446 G447 M474	S445-S472 PolarHBondContact O-N 2.77Å; Y446-S472 WeakPolarHBondContact CA-O 3.1Å; Y446-S472 WeakPolarHBondContact CD1-OG 3.35Å; Y446-S472 WeakPolarHBondContact CE1-OG 3.46Å; G447-S472 PolarHBondContact N-O 3.28Å; S472-M474 PolarHBondContact O-N 3.22Å; S472-M474 PolarHBondContact OG-O 2.68Å
473	V	95.5	Very high	95.6	Very high	94 Å²	94	35.6 Å²	35.6	57%	0.57	20%	0.196	S	C	*	.	S	Bend	trans	-63.3	-31.8	176.6	66.5	0	0	0	0	112.6	G447 F514	G447-V473 WeakPolarHBondContact CA-O 3.45Å; G447-V473 PolarHBondContact N-O 3.5Å; G447-V473 VanDerWaalsContact N-O 3.1Å; V473-F514 HydrophobicContact CG1-CE1 3.94Å; V473-F514 HydrophobicContact CG1-CZ 4.31Å
474	M	93.4	Very high	95.4	Very high	67 Å²	67	35.5 Å²	35.5	33%	0.33	20%	0.196	S	C	.	.	S	Bend	trans	-164.6	169.8	173.4	66.8	-175.6	69.3	0	0	109.8	S472 A479 F514	S472-M474 PolarHBondContact O-N 3.22Å; S472-M474 PolarHBondContact OG-O 2.68Å; M474-A479 HydrophobicContact CG-CB 3.83Å; M474-A479 HydrophobicContact SD-CB 3.82Å; M474-F514 HydrophobicContact CG-CE1 4.23Å; M474-F514 WeakPolarHBondContact O-CD1 3.49Å
475	G	91.3	Very high	95.1	Very high	14 Å²	14	38.6 Å²	38.6	14%	0.144	22%	0.215	C	C	.	.			trans	-62.4	144.2	177.1	0	0	0	0	0	112.7	E477 Q478 A479	G475-E477 PolarHBondContact O-N 2.74Å; G475-Q478 WeakPolarHBondContact O-CB 3.44Å; G475-Q478 PolarHBondContact O-N 2.95Å; G475-A479 PolarHBondContact O-N 2.97Å
476	G	92.3	Very high	94.9	Very high	16 Å²	16	43 Å²	43	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-43.7	-177.1	0	0	0	0	0	113.7	Q478 A479 A480	G476-Q478 VanDerWaalsContact C-N 3.28Å; G476-Q478 PolarHBondContact O-N 2.94Å; G476-A479 PolarHBondContact O-N 3.04Å; G476-A480 VanDerWaalsContact O-CB 3.3Å; G476-A480 WeakPolarHBondContact O-CB 3.27Å; G476-A480 PolarHBondContact O-N 3.2Å
477	E	91.8	Very high	94.6	Very high	114 Å²	114	44.3 Å²	44.3	53%	0.533	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-38.3	174.9	-68.5	177.8	-172.6	0	0	112.1	K327 G475 T481	K327-E477 IonicContact NZ-OE1 3.63Å; K327-E477 PolarHBondContact NZ-OE1 3.39Å; K327-E477 IonicContact NZ-OE2 3.38Å; K327-E477 PolarHBondContact NZ-OE2 3.33Å; G475-E477 PolarHBondContact O-N 2.74Å; E477-T481 WeakPolarHBondContact O-CB 3.45Å; E477-T481 PolarHBondContact O-N 2.77Å; E477-T481 PolarHBondContact O-OG1 2.91Å
478	Q	90.9	Very high	94.3	Very high	107 Å²	107	48.9 Å²	48.9	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-69	-48	178.2	-62.8	171.4	-10.2	0	0	110.7	G475 G476 A480 T481 V482	G475-Q478 WeakPolarHBondContact O-CB 3.44Å; G475-Q478 PolarHBondContact O-N 2.95Å; G476-Q478 VanDerWaalsContact C-N 3.28Å; G476-Q478 PolarHBondContact O-N 2.94Å; Q478-A480 PolarHBondContact O-N 3.36Å; Q478-T481 PolarHBondContact O-N 2.66Å; Q478-V482 WeakPolarHBondContact O-CG2 3.26Å; Q478-V482 PolarHBondContact O-N 2.78Å
479	A	92.8	Very high	94.1	Very high	6 Å²	6	52.6 Å²	52.6	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-45.8	177.8	0	0	0	0	0	112	M474 G475 G476 T481 V482 L483 I510 F514	M474-A479 HydrophobicContact CG-CB 3.83Å; M474-A479 HydrophobicContact SD-CB 3.82Å; G475-A479 PolarHBondContact O-N 2.97Å; G476-A479 PolarHBondContact O-N 3.04Å; A479-T481 VanDerWaalsContact C-N 3.33Å; A479-T481 PolarHBondContact O-N 2.82Å; A479-V482 PolarHBondContact O-N 3.15Å; A479-L483 WeakPolarHBondContact O-CB 3.4Å; A479-L483 WeakPolarHBondContact O-CG 3.16Å; A479-L483 PolarHBondContact O-N 3.15Å; A479-I510 HydrophobicContact CB-CG2 4.31Å; A479-F514 HydrophobicContact CB-CD1 4.23Å; A479-F514 HydrophobicContact CB-CD2 4.38Å; A479-F514 HydrophobicContact CB-CE1 3.67Å; A479-F514 HydrophobicContact CB-CE2 3.83Å; A479-F514 HydrophobicContact CB-CZ 3.44Å; A479-F514 VanDerWaalsContact CB-CZ 3.44Å
480	A	94.4	Very high	93.9	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-41.9	178.3	0	0	0	0	0	111.6	G476 Q478 A484 K507 I510 V511	G476-A480 VanDerWaalsContact O-CB 3.3Å; G476-A480 WeakPolarHBondContact O-CB 3.27Å; G476-A480 PolarHBondContact O-N 3.2Å; Q478-A480 PolarHBondContact O-N 3.36Å; A480-A484 VanDerWaalsContact O-CB 3.27Å; A480-A484 WeakPolarHBondContact O-CB 3.45Å; A480-A484 PolarHBondContact O-N 2.94Å; A480-K507 HydrophobicContact CB-CB 3.91Å; A480-K507 HydrophobicContact CB-CG 3.89Å; A480-I510 HydrophobicContact CB-CB 4.02Å; A480-I510 HydrophobicContact CB-CG2 3.93Å; A480-V511 HydrophobicContact CB-CG2 3.69Å
481	T	94.4	Very high	93.7	Very high	65 Å²	65	60.2 Å²	60.2	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-64.8	-46.8	177.2	-60.4	0	0	0	0	112	E477 Q478 A479 L483 A484 T485	E477-T481 WeakPolarHBondContact O-CB 3.45Å; E477-T481 PolarHBondContact O-N 2.77Å; E477-T481 PolarHBondContact O-OG1 2.91Å; Q478-T481 PolarHBondContact O-N 2.66Å; A479-T481 VanDerWaalsContact C-N 3.33Å; A479-T481 PolarHBondContact O-N 2.82Å; T481-L483 PolarHBondContact O-N 3.05Å; T481-A484 PolarHBondContact O-N 2.87Å; T481-T485 PolarHBondContact O-N 2.92Å; T481-T485 PolarHBondContact O-OG1 3.5Å; T481-T485 VanDerWaalsContact O-OG1 3.05Å
482	V	94.2	Very high	93.5	Very high	76 Å²	76	63.4 Å²	63.4	46%	0.461	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-46	178.9	171.1	0	0	0	0	111.5	Q478 A479 A484 T485 I486	Q478-V482 WeakPolarHBondContact O-CG2 3.26Å; Q478-V482 PolarHBondContact O-N 2.78Å; A479-V482 PolarHBondContact O-N 3.15Å; V482-A484 VanDerWaalsContact C-N 3.34Å; V482-A484 PolarHBondContact O-N 3.11Å; V482-T485 PolarHBondContact O-N 2.92Å; V482-I486 HydrophobicContact CG1-CD1 3.91Å; V482-I486 WeakPolarHBondContact O-CG1 3.37Å; V482-I486 PolarHBondContact O-N 3.48Å
483	L	93.5	Very high	93.4	Very high	75 Å²	75	72.3 Å²	72.3	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-37.9	179.3	-71.6	172.7	0	0	0	112.3	A479 T481 T487 I510	A479-L483 WeakPolarHBondContact O-CB 3.4Å; A479-L483 WeakPolarHBondContact O-CG 3.16Å; A479-L483 PolarHBondContact O-N 3.15Å; T481-L483 PolarHBondContact O-N 3.05Å; L483-T487 WeakPolarHBondContact O-CB 3.49Å; L483-T487 PolarHBondContact O-N 3.46Å; L483-T487 PolarHBondContact O-OG1 3Å; L483-I510 HydrophobicContact CB-CD1 4.14Å; L483-I510 HydrophobicContact CD1-CD1 3.77Å; L483-I510 HydrophobicContact CD1-CG1 4.47Å; L483-I510 HydrophobicContact CD1-CG2 4.33Å
484	A	94.2	Very high	93.4	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-44.6	172.8	0	0	0	0	0	112	A480 T481 V482 T487 K488 E503 K507	A480-A484 VanDerWaalsContact O-CB 3.27Å; A480-A484 WeakPolarHBondContact O-CB 3.45Å; A480-A484 PolarHBondContact O-N 2.94Å; T481-A484 PolarHBondContact O-N 2.87Å; V482-A484 VanDerWaalsContact C-N 3.34Å; V482-A484 PolarHBondContact O-N 3.11Å; A484-T487 PolarHBondContact O-N 3.1Å; A484-K488 WeakPolarHBondContact O-CB 3.15Å; A484-K488 PolarHBondContact O-N 2.98Å; A484-E503 HydrophobicContact CB-CG 3.89Å; A484-K507 HydrophobicContact CB-CD 4.43Å; A484-K507 HydrophobicContact CB-CG 4.15Å
485	T	93.4	Very high	93.3	Very high	66 Å²	66	72.2 Å²	72.2	41%	0.405	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-47.2	177.4	-56.6	0	0	0	0	111.9	T481 V482 T487 K488 D489	T481-T485 PolarHBondContact O-N 2.92Å; T481-T485 PolarHBondContact O-OG1 3.5Å; T481-T485 VanDerWaalsContact O-OG1 3.05Å; V482-T485 PolarHBondContact O-N 2.92Å; T485-T487 VanDerWaalsContact C-N 3.28Å; T485-T487 PolarHBondContact O-N 2.88Å; T485-K488 WeakPolarHBondContact O-CB 3.49Å; T485-K488 PolarHBondContact O-N 3.46Å; T485-D489 PolarHBondContact O-N 2.95Å
486	I	94.6	Very high	93.4	Very high	94 Å²	94	76.3 Å²	76.3	48%	0.482	39%	0.394	S	S	.	.	H	α-helix	trans	-58.9	-43.1	177.3	-67.6	167.8	0	0	0	110.8	V482 D489 Q490	V482-I486 HydrophobicContact CG1-CD1 3.91Å; V482-I486 WeakPolarHBondContact O-CG1 3.37Å; V482-I486 PolarHBondContact O-N 3.48Å; I486-D489 PolarHBondContact O-N 3.11Å; I486-Q490 WeakPolarHBondContact O-CB 3.45Å; I486-Q490 PolarHBondContact O-N 3.26Å
487	T	92.6	Very high	93.2	Very high	27 Å²	27	83.5 Å²	83.5	17%	0.166	42%	0.423	C	S	.	.	H	α-helix	trans	-64.7	-43	178.8	-57.8	0	0	0	0	111.4	L483 A484 T485 Q490 R491 F498 M506	L483-T487 WeakPolarHBondContact O-CB 3.49Å; L483-T487 PolarHBondContact O-N 3.46Å; L483-T487 PolarHBondContact O-OG1 3Å; A484-T487 PolarHBondContact O-N 3.1Å; T485-T487 VanDerWaalsContact C-N 3.28Å; T485-T487 PolarHBondContact O-N 2.88Å; T487-Q490 PolarHBondContact O-N 3.17Å; T487-R491 HydrophobicContact CG2-CG 4.34Å; T487-R491 WeakPolarHBondContact O-CB 3.43Å; T487-R491 WeakPolarHBondContact O-CG 3.49Å; T487-R491 PolarHBondContact O-N 3.39Å; T487-F498 HydrophobicContact CG2-CD2 4.46Å; T487-F498 HydrophobicContact CG2-CE2 4.05Å; T487-F498 HydrophobicContact CG2-CZ 4.1Å; T487-M506 HydrophobicContact CG2-CE 3.91Å; T487-M506 HydrophobicContact CG2-SD 4.15Å; T487-M506 WeakPolarHBondContact OG1-CE 3.46Å
488	K	93.2	Very high	93.3	Very high	99 Å²	99	79.6 Å²	79.6	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-45.7	175.7	-173.2	176	-178.2	172.2	0	111.5	A484 T485 R491 T492 F498	A484-K488 WeakPolarHBondContact O-CB 3.15Å; A484-K488 PolarHBondContact O-N 2.98Å; T485-K488 WeakPolarHBondContact O-CB 3.49Å; T485-K488 PolarHBondContact O-N 3.46Å; K488-R491 PolarHBondContact O-N 3.3Å; K488-T492 WeakPolarHBondContact O-CB 3.49Å; K488-T492 PolarHBondContact O-N 2.85Å; K488-T492 PolarHBondContact O-OG1 3.33Å; K488-F498 HydrophobicContact CB-CD1 3.69Å; K488-F498 HydrophobicContact CB-CE1 4.3Å; K488-F498 HydrophobicContact CG-CB 4.42Å; K488-F498 HydrophobicContact CG-CD1 4.06Å
489	D	93.3	Very high	93.3	Very high	80 Å²	80	76.9 Å²	76.9	43%	0.428	40%	0.395	S	S	.	.	H	α-helix	trans	-65.2	-41.4	179.2	-71	-12	0	0	0	111.6	T485 I486 T492 R493	T485-D489 PolarHBondContact O-N 2.95Å; I486-D489 PolarHBondContact O-N 3.11Å; D489-T492 PolarHBondContact O-N 3.02Å; D489-R493 VanDerWaalsContact O-CG 3.31Å; D489-R493 WeakPolarHBondContact O-CG 3.04Å; D489-R493 PolarHBondContact O-N 3.02Å
490	Q	94.4	Very high	93.2	Very high	108 Å²	108	80 Å²	80	51%	0.505	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-48.6	174.1	-177.5	-177.7	-7.2	0	0	111.4	I486 T487 T492 R493 E494	I486-Q490 WeakPolarHBondContact O-CB 3.45Å; I486-Q490 PolarHBondContact O-N 3.26Å; T487-Q490 PolarHBondContact O-N 3.17Å; Q490-T492 VanDerWaalsContact C-N 3.3Å; Q490-T492 PolarHBondContact O-N 2.68Å; Q490-R493 WeakPolarHBondContact O-CB 3.31Å; Q490-R493 PolarHBondContact O-N 3.02Å; Q490-R493 VanDerWaalsContact O-N 3.16Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.42Å; Q490-E494 PolarHBondContact NE2-OE1 2.94Å; Q490-E494 WeakPolarHBondContact O-CG 3.43Å; Q490-E494 PolarHBondContact O-N 3.02Å
491	R	93.1	Very high	93.1	Very high	99 Å²	99	86.4 Å²	86.4	37%	0.374	45%	0.451	S	S	.	.	H	α-helix	trans	-59.4	-42.7	178.3	-72.7	-78.9	179.9	152.9	-1.2	111.4	T487 K488 R493 E494 G495 K496 F498	T487-R491 HydrophobicContact CG2-CG 4.34Å; T487-R491 WeakPolarHBondContact O-CB 3.43Å; T487-R491 WeakPolarHBondContact O-CG 3.49Å; T487-R491 PolarHBondContact O-N 3.39Å; K488-R491 PolarHBondContact O-N 3.3Å; R491-R493 PolarHBondContact O-N 3.19Å; R491-E494 CarbonylContact O-C 3.48Å; R491-E494 WeakPolarHBondContact O-CA 3.26Å; R491-E494 PolarHBondContact O-N 2.95Å; R491-E494 VanDerWaalsContact O-N 3.09Å; R491-G495 PolarHBondContact O-N 3.46Å; R491-G495 VanDerWaalsContact O-N 3.14Å; R491-K496 CarbonylContact C-O 3.52Å; R491-K496 VanDerWaalsContact C-O 3.26Å; R491-K496 HydrophobicContact CB-CB 4.33Å; R491-K496 PolarHBondContact O-N 2.84Å; R491-K496 VanDerWaalsContact O-O 3.09Å; R491-F498 HydrophobicContact CB-CB 4.23Å; R491-F498 HydrophobicContact CG-CB 4.35Å
492	T	93.5	Very high	92.9	Very high	94 Å²	94	87.5 Å²	87.5	58%	0.577	45%	0.452	S	S	*	.	H	α-helix	trans	-60.9	-43.3	176.4	-55.8	0	0	0	0	111.4	K488 D489 Q490 E494 G495	K488-T492 WeakPolarHBondContact O-CB 3.49Å; K488-T492 PolarHBondContact O-N 2.85Å; K488-T492 PolarHBondContact O-OG1 3.33Å; D489-T492 PolarHBondContact O-N 3.02Å; Q490-T492 VanDerWaalsContact C-N 3.3Å; Q490-T492 PolarHBondContact O-N 2.68Å; T492-E494 VanDerWaalsContact C-N 3.27Å; T492-E494 PolarHBondContact O-N 3.31Å; T492-G495 PolarHBondContact O-N 3.16Å; T492-G495 VanDerWaalsContact O-N 3.09Å
493	R	94.3	Very high	92.8	Very high	217 Å²	217	86 Å²	86	82%	0.819	44%	0.439	S	S	*	.	H	α-helix	trans	-64.3	-30.7	174.8	-70.7	172.1	-174.4	-179.3	3.9	113.1	D489 Q490 R491 G495	D489-R493 VanDerWaalsContact O-CG 3.31Å; D489-R493 WeakPolarHBondContact O-CG 3.04Å; D489-R493 PolarHBondContact O-N 3.02Å; Q490-R493 WeakPolarHBondContact O-CB 3.31Å; Q490-R493 PolarHBondContact O-N 3.02Å; Q490-R493 VanDerWaalsContact O-N 3.16Å; R491-R493 PolarHBondContact O-N 3.19Å; R493-G495 VanDerWaalsContact C-N 3.27Å
494	E	94.9	Very high	92.8	Very high	86 Å²	86	85.1 Å²	85.1	40%	0.402	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	2.2	175	-67.7	176.4	-162.4	0	0	113.3	Q490 R491 T492 K496	Q490-E494 WeakPolarHBondContact CG-OE1 3.42Å; Q490-E494 PolarHBondContact NE2-OE1 2.94Å; Q490-E494 WeakPolarHBondContact O-CG 3.43Å; Q490-E494 PolarHBondContact O-N 3.02Å; R491-E494 CarbonylContact O-C 3.48Å; R491-E494 WeakPolarHBondContact O-CA 3.26Å; R491-E494 PolarHBondContact O-N 2.95Å; R491-E494 VanDerWaalsContact O-N 3.09Å; T492-E494 VanDerWaalsContact C-N 3.27Å; T492-E494 PolarHBondContact O-N 3.31Å; E494-K496 HydrophobicContact CB-CD 4.19Å; E494-K496 HydrophobicContact CB-CG 4.27Å; E494-K496 PolarHBondContact O-N 3.43Å; E494-K496 WeakPolarHBondContact OE2-CE 3.26Å; E494-K496 IonicContact OE2-NZ 2.83Å; E494-K496 PolarHBondContact OE2-NZ 3.36Å
495	G	93.1	Very high	92.8	Very high	73 Å²	73	88.6 Å²	88.6	75%	0.753	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	20.4	-176.1	0	0	0	0	0	114	R491 T492 R493	R491-G495 PolarHBondContact O-N 3.46Å; R491-G495 VanDerWaalsContact O-N 3.14Å; T492-G495 PolarHBondContact O-N 3.16Å; T492-G495 VanDerWaalsContact O-N 3.09Å; R493-G495 VanDerWaalsContact C-N 3.27Å
496	K	93.1	Very high	92.8	Very high	100 Å²	100	88.6 Å²	88.6	44%	0.435	47%	0.468	S	S	.	.			trans	-103.6	142.8	-179.9	-65.2	173.9	-172.4	159.6	0	110.6	R491 E494	R491-K496 CarbonylContact C-O 3.52Å; R491-K496 VanDerWaalsContact C-O 3.26Å; R491-K496 HydrophobicContact CB-CB 4.33Å; R491-K496 PolarHBondContact O-N 2.84Å; R491-K496 VanDerWaalsContact O-O 3.09Å; E494-K496 HydrophobicContact CB-CD 4.19Å; E494-K496 HydrophobicContact CB-CG 4.27Å; E494-K496 PolarHBondContact O-N 3.43Å; E494-K496 WeakPolarHBondContact OE2-CE 3.26Å; E494-K496 IonicContact OE2-NZ 2.83Å; E494-K496 PolarHBondContact OE2-NZ 3.36Å
497	E	88.5	Confident	92.8	Very high	166 Å²	166	86.4 Å²	86.4	78%	0.776	46%	0.455	S	S	*	.			trans	-74.8	150.2	171.6	-68.2	-170.3	158.9	0	0	111.8
498	F	92	Very high	92.9	Very high	33 Å²	33	91.3 Å²	91.3	15%	0.145	48%	0.476	C	S	.	.			trans	-129.4	101.2	170.2	-172.1	-124.4	0	0	0	108	T487 K488 R491 Q502 E503 M506	T487-F498 HydrophobicContact CG2-CD2 4.46Å; T487-F498 HydrophobicContact CG2-CE2 4.05Å; T487-F498 HydrophobicContact CG2-CZ 4.1Å; K488-F498 HydrophobicContact CB-CD1 3.69Å; K488-F498 HydrophobicContact CB-CE1 4.3Å; K488-F498 HydrophobicContact CG-CB 4.42Å; K488-F498 HydrophobicContact CG-CD1 4.06Å; R491-F498 HydrophobicContact CB-CB 4.23Å; R491-F498 HydrophobicContact CG-CB 4.35Å; F498-Q502 HydrophobicContact CD2-CB 3.83Å; F498-Q502 HydrophobicContact CE2-CB 3.69Å; F498-E503 HydrophobicContact CD1-CB 4.3Å; F498-E503 HydrophobicContact CE1-CB 3.64Å; F498-E503 HydrophobicContact CE1-CG 4Å; F498-E503 HydrophobicContact CZ-CB 3.97Å; F498-M506 HydrophobicContact CZ-SD 4.12Å
499	T	92.1	Very high	93	Very high	49 Å²	49	90.2 Å²	90.2	30%	0.301	48%	0.479	S	S	.	.			trans	-77.8	163.1	-172.7	80.4	0	0	0	0	111.4	E501 Q502 E503	T499-E501 WeakPolarHBondContact CB-OE2 3.48Å; T499-E501 PolarHBondContact O-N 2.89Å; T499-E501 PolarHBondContact OG1-N 2.87Å; T499-E501 PolarHBondContact OG1-OE2 3.33Å; T499-Q502 PolarHBondContact O-N 2.87Å; T499-Q502 PolarHBondContact OG1-N 2.63Å; T499-E503 PolarHBondContact O-N 2.92Å
500	A	90.4	Very high	93.2	Very high	71 Å²	71	87.4 Å²	87.4	59%	0.587	46%	0.464	S	S	*	.	H	α-helix	trans	-61.7	-34	177.7	0	0	0	0	0	112.2	E503 A504	A500-E503 PolarHBondContact O-N 3.41Å; A500-A504 WeakPolarHBondContact O-CB 3.25Å; A500-A504 PolarHBondContact O-N 3.3Å
501	E	92.3	Very high	93.2	Very high	137 Å²	137	84.5 Å²	84.5	64%	0.64	45%	0.453	S	S	*	.	H	α-helix	trans	-67.7	-41.2	176.5	-57.4	74.3	-159.7	0	0	111.3	T499 E503 A504 A505	T499-E501 WeakPolarHBondContact CB-OE2 3.48Å; T499-E501 PolarHBondContact O-N 2.89Å; T499-E501 PolarHBondContact OG1-N 2.87Å; T499-E501 PolarHBondContact OG1-OE2 3.33Å; E501-E503 VanDerWaalsContact C-N 3.33Å; E501-A504 PolarHBondContact O-N 3.43Å; E501-A505 VanDerWaalsContact O-CB 3.24Å; E501-A505 WeakPolarHBondContact O-CB 3.43Å; E501-A505 PolarHBondContact O-N 2.97Å
502	Q	90.9	Very high	93.4	Very high	87 Å²	87	87.3 Å²	87.3	41%	0.407	46%	0.464	S	S	.	.	H	α-helix	trans	-65.9	-38.3	175.2	-67.9	174.6	-24.1	0	0	111.4	F498 T499 M506	F498-Q502 HydrophobicContact CD2-CB 3.83Å; F498-Q502 HydrophobicContact CE2-CB 3.69Å; T499-Q502 PolarHBondContact O-N 2.87Å; T499-Q502 PolarHBondContact OG1-N 2.63Å; Q502-M506 WeakPolarHBondContact O-CB 3.25Å; Q502-M506 PolarHBondContact O-N 3.18Å
503	E	92.1	Very high	93.5	Very high	44 Å²	44	88.7 Å²	88.7	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-62.5	-49.4	174	-177.7	170.3	169.5	0	0	111.5	A484 F498 T499 A500 E501 M506 K507	A484-E503 HydrophobicContact CB-CG 3.89Å; F498-E503 HydrophobicContact CD1-CB 4.3Å; F498-E503 HydrophobicContact CE1-CB 3.64Å; F498-E503 HydrophobicContact CE1-CG 4Å; F498-E503 HydrophobicContact CZ-CB 3.97Å; T499-E503 PolarHBondContact O-N 2.92Å; A500-E503 PolarHBondContact O-N 3.41Å; E501-E503 VanDerWaalsContact C-N 3.33Å; E503-M506 PolarHBondContact O-N 3.34Å; E503-K507 HydrophobicContact CG-CD 4.33Å; E503-K507 WeakPolarHBondContact O-CG 3.43Å; E503-K507 PolarHBondContact O-N 2.91Å; E503-K507 WeakPolarHBondContact OE1-CE 3.37Å; E503-K507 IonicContact OE1-NZ 3.46Å; E503-K507 PolarHBondContact OE1-NZ 3.03Å
504	A	92	Very high	93.6	Very high	58 Å²	58	79.6 Å²	79.6	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-45.4	178.2	0	0	0	0	0	112.1	A500 E501 M506 K507 E508	A500-A504 WeakPolarHBondContact O-CB 3.25Å; A500-A504 PolarHBondContact O-N 3.3Å; E501-A504 PolarHBondContact O-N 3.43Å; A504-M506 PolarHBondContact O-N 3.26Å; A504-K507 PolarHBondContact O-N 2.83Å; A504-K507 VanDerWaalsContact O-N 3.14Å; A504-E508 PolarHBondContact O-N 2.8Å; A504-E508 VanDerWaalsContact O-N 3.15Å
505	A	93.9	Very high	93.6	Very high	73 Å²	73	80.1 Å²	80.1	60%	0.603	43%	0.428	S	S	*	.	H	α-helix	trans	-62.2	-28.9	177.4	0	0	0	0	0	113	E501 P509	E501-A505 VanDerWaalsContact O-CB 3.24Å; E501-A505 WeakPolarHBondContact O-CB 3.43Å; E501-A505 PolarHBondContact O-N 2.97Å; A505-P509 WeakPolarHBondContact O-CD 3.39Å
506	M	93.4	Very high	93.7	Very high	65 Å²	65	81.3 Å²	81.3	32%	0.32	41%	0.414	S	S	.	.	H	α-helix	trans	-76.8	-40.8	173.2	179	178.2	-113.8	0	0	112.2	T487 F498 Q502 E503 A504 P509 I510	T487-M506 HydrophobicContact CG2-CE 3.91Å; T487-M506 HydrophobicContact CG2-SD 4.15Å; T487-M506 WeakPolarHBondContact OG1-CE 3.46Å; F498-M506 HydrophobicContact CZ-SD 4.12Å; Q502-M506 WeakPolarHBondContact O-CB 3.25Å; Q502-M506 PolarHBondContact O-N 3.18Å; E503-M506 PolarHBondContact O-N 3.34Å; A504-M506 PolarHBondContact O-N 3.26Å; M506-P509 WeakPolarHBondContact O-CD 3.21Å; M506-P509 WeakPolarHBondContact O-CG 3.14Å; M506-I510 HydrophobicContact CG-CD1 4.08Å; M506-I510 VanDerWaalsContact O-CD1 3.27Å; M506-I510 WeakPolarHBondContact O-CD1 3.04Å; M506-I510 WeakPolarHBondContact O-CG1 3.48Å
507	K	95.2	Very high	93.9	Very high	48 Å²	48	79.9 Å²	79.9	21%	0.209	41%	0.408	C	S	.	.	H	α-helix	trans	-68.9	-45	-174.6	-74.3	-175.3	-174.9	178.5	0	113.1	A480 A484 E503 A504 I510 V511	A480-K507 HydrophobicContact CB-CB 3.91Å; A480-K507 HydrophobicContact CB-CG 3.89Å; A484-K507 HydrophobicContact CB-CD 4.43Å; A484-K507 HydrophobicContact CB-CG 4.15Å; E503-K507 HydrophobicContact CG-CD 4.33Å; E503-K507 WeakPolarHBondContact O-CG 3.43Å; E503-K507 PolarHBondContact O-N 2.91Å; E503-K507 WeakPolarHBondContact OE1-CE 3.37Å; E503-K507 IonicContact OE1-NZ 3.46Å; E503-K507 PolarHBondContact OE1-NZ 3.03Å; A504-K507 PolarHBondContact O-N 2.83Å; A504-K507 VanDerWaalsContact O-N 3.14Å; K507-I510 WeakPolarHBondContact O-CB 3.37Å; K507-I510 PolarHBondContact O-N 3.31Å; K507-V511 WeakPolarHBondContact O-CG2 3.27Å; K507-V511 PolarHBondContact O-N 2.84Å
508	E	95	Very high	94.4	Very high	131 Å²	131	72 Å²	72	61%	0.612	37%	0.372	S	S	*	.	H	α-helix	trans	-52.1	-53.2	-174.5	-174.9	61.6	-160.6	0	0	114.3	A504 I510 V511 R512	A504-E508 PolarHBondContact O-N 2.8Å; A504-E508 VanDerWaalsContact O-N 3.15Å; E508-I510 PolarHBondContact O-N 3.19Å; E508-V511 PolarHBondContact O-N 3.01Å; E508-R512 PolarHBondContact O-N 3.47Å
509	P	96.3	Very high	94.6	Very high	76 Å²	76	71.8 Å²	71.8	49%	0.494	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-27.9	179.1	25.5	-35.3	0	0	0	113.1	A505 M506 R513	A505-P509 WeakPolarHBondContact O-CD 3.39Å; M506-P509 WeakPolarHBondContact O-CD 3.21Å; M506-P509 WeakPolarHBondContact O-CG 3.14Å; P509-R513 WeakPolarHBondContact O-CB 3.4Å; P509-R513 PolarHBondContact O-N 2.96Å
510	I	95.7	Very high	94.9	Very high	21 Å²	21	69.5 Å²	69.5	11%	0.108	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-48.6	176.9	-61.4	165	0	0	0	109.8	A479 A480 L483 M506 K507 E508 R512 R513 F514	A479-I510 HydrophobicContact CB-CG2 4.31Å; A480-I510 HydrophobicContact CB-CB 4.02Å; A480-I510 HydrophobicContact CB-CG2 3.93Å; L483-I510 HydrophobicContact CB-CD1 4.14Å; L483-I510 HydrophobicContact CD1-CD1 3.77Å; L483-I510 HydrophobicContact CD1-CG1 4.47Å; L483-I510 HydrophobicContact CD1-CG2 4.33Å; M506-I510 HydrophobicContact CG-CD1 4.08Å; M506-I510 VanDerWaalsContact O-CD1 3.27Å; M506-I510 WeakPolarHBondContact O-CD1 3.04Å; M506-I510 WeakPolarHBondContact O-CG1 3.48Å; K507-I510 WeakPolarHBondContact O-CB 3.37Å; K507-I510 PolarHBondContact O-N 3.31Å; E508-I510 PolarHBondContact O-N 3.19Å; I510-R512 VanDerWaalsContact C-N 3.31Å; I510-R512 PolarHBondContact O-N 3.32Å; I510-R513 PolarHBondContact O-N 3.39Å; I510-F514 HydrophobicContact CG2-CD2 3.96Å; I510-F514 HydrophobicContact CG2-CE2 3.95Å; I510-F514 VanDerWaalsContact O-CD2 3.29Å; I510-F514 WeakPolarHBondContact O-CD2 3.24Å; I510-F514 PolarHBondContact O-N 3.11Å
511	V	95.5	Very high	95.3	Very high	46 Å²	46	66.8 Å²	66.8	28%	0.279	34%	0.335	S	S	.	.	H	α-helix	trans	-57.5	-48.2	178	175.3	0	0	0	0	110.1	A480 K507 E508 R513 F514 E515	A480-V511 HydrophobicContact CB-CG2 3.69Å; K507-V511 WeakPolarHBondContact O-CG2 3.27Å; K507-V511 PolarHBondContact O-N 2.84Å; E508-V511 PolarHBondContact O-N 3.01Å; V511-R513 PolarHBondContact O-N 3.47Å; V511-F514 PolarHBondContact O-N 3.37Å; V511-E515 PolarHBondContact O-N 3.48Å
512	R	96.2	Very high	95.6	Very high	158 Å²	158	63.5 Å²	63.5	60%	0.596	32%	0.318	S	S	*	.	H	α-helix	trans	-59.6	-46.3	178.3	-177.1	177.5	172.3	172.3	2.6	112.5	E508 I510 F514 E515 E516	E508-R512 PolarHBondContact O-N 3.47Å; I510-R512 VanDerWaalsContact C-N 3.31Å; I510-R512 PolarHBondContact O-N 3.32Å; R512-F514 VanDerWaalsContact C-N 3.32Å; R512-F514 PolarHBondContact O-N 3.15Å; R512-E515 PolarHBondContact O-N 3.34Å; R512-E516 IonicContact CZ-OE1 3.66Å; R512-E516 IonicContact NE-OE1 2.7Å; R512-E516 PolarHBondContact NE-OE1 3.16Å; R512-E516 IonicContact NH2-OE1 2.77Å; R512-E516 PolarHBondContact NH2-OE1 3.25Å; R512-E516 WeakPolarHBondContact O-CG 3.36Å; R512-E516 PolarHBondContact O-N 2.99Å
513	R	96.6	Very high	96	Very high	123 Å²	123	59.4 Å²	59.4	46%	0.464	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-43.7	178.4	-170	-176.3	81.3	-162.2	1	111.5	P509 I510 V511 E515 E516 E517	P509-R513 WeakPolarHBondContact O-CB 3.4Å; P509-R513 PolarHBondContact O-N 2.96Å; I510-R513 PolarHBondContact O-N 3.39Å; V511-R513 PolarHBondContact O-N 3.47Å; R513-E515 VanDerWaalsContact C-N 3.33Å; R513-E515 PolarHBondContact O-N 2.7Å; R513-E516 PolarHBondContact O-N 3.04Å; R513-E517 HydrophobicContact CG-CG 4.15Å; R513-E517 WeakPolarHBondContact CG-OE1 3.34Å; R513-E517 IonicContact NE-OE1 3.25Å; R513-E517 IonicContact NE-OE2 2.87Å; R513-E517 WeakPolarHBondContact O-CB 3.29Å; R513-E517 VanDerWaalsContact O-CG 3.31Å; R513-E517 WeakPolarHBondContact O-CG 3.26Å; R513-E517 PolarHBondContact O-N 3.11Å
514	F	96.4	Very high	96.3	Very high	26 Å²	26	57.3 Å²	57.3	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-32.6	178.9	-88.8	-111.4	0	0	0	112.9	V473 M474 A479 I510 V511 R512 G518	V473-F514 HydrophobicContact CG1-CE1 3.94Å; V473-F514 HydrophobicContact CG1-CZ 4.31Å; M474-F514 HydrophobicContact CG-CE1 4.23Å; M474-F514 WeakPolarHBondContact O-CD1 3.49Å; A479-F514 HydrophobicContact CB-CD1 4.23Å; A479-F514 HydrophobicContact CB-CD2 4.38Å; A479-F514 HydrophobicContact CB-CE1 3.67Å; A479-F514 HydrophobicContact CB-CE2 3.83Å; A479-F514 HydrophobicContact CB-CZ 3.44Å; A479-F514 VanDerWaalsContact CB-CZ 3.44Å; I510-F514 HydrophobicContact CG2-CD2 3.96Å; I510-F514 HydrophobicContact CG2-CE2 3.95Å; I510-F514 VanDerWaalsContact O-CD2 3.29Å; I510-F514 WeakPolarHBondContact O-CD2 3.24Å; I510-F514 PolarHBondContact O-N 3.11Å; V511-F514 PolarHBondContact O-N 3.37Å; R512-F514 VanDerWaalsContact C-N 3.32Å; R512-F514 PolarHBondContact O-N 3.15Å; F514-G518 WeakPolarHBondContact O-CA 3.38Å; F514-G518 PolarHBondContact O-N 3.09Å
515	E	94	Very high	96.6	Very high	98 Å²	98	54.5 Å²	54.5	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-68.9	-43.9	173.7	-176.6	58	-158	0	0	111.5	R470 V511 R512 R513 S519	R470-E515 IonicContact CZ-OE1 3.29Å; R470-E515 IonicContact NE-OE1 3.46Å; R470-E515 PolarHBondContact NE-OE1 3.07Å; R470-E515 IonicContact NE-OE2 3.57Å; R470-E515 IonicContact NH2-OE1 2.83Å; R470-E515 PolarHBondContact NH2-OE1 2.91Å; V511-E515 PolarHBondContact O-N 3.48Å; R512-E515 PolarHBondContact O-N 3.34Å; R513-E515 VanDerWaalsContact C-N 3.33Å; R513-E515 PolarHBondContact O-N 2.7Å; E515-S519 PolarHBondContact O-N 3.09Å
516	E	96.4	Very high	96.9	Very high	98 Å²	98	53.5 Å²	53.5	46%	0.458	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-50.4	176.7	-71.4	174.9	-174.7	0	0	111.7	R512 R513 G518 S519 Y522	R512-E516 IonicContact CZ-OE1 3.66Å; R512-E516 IonicContact NE-OE1 2.7Å; R512-E516 PolarHBondContact NE-OE1 3.16Å; R512-E516 IonicContact NH2-OE1 2.77Å; R512-E516 PolarHBondContact NH2-OE1 3.25Å; R512-E516 WeakPolarHBondContact O-CG 3.36Å; R512-E516 PolarHBondContact O-N 2.99Å; R513-E516 PolarHBondContact O-N 3.04Å; E516-G518 VanDerWaalsContact C-N 3.3Å; E516-G518 PolarHBondContact O-N 3.01Å; E516-S519 VanDerWaalsContact O-CB 3.31Å; E516-S519 WeakPolarHBondContact O-CB 3.49Å; E516-S519 PolarHBondContact O-N 3.11Å; E516-Y522 WeakPolarHBondContact O-CB 3.39Å
517	E	97.6	Very high	97.1	Very high	69 Å²	69	50.5 Å²	50.5	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-71.9	-23.9	-179.6	-66.9	177.4	169.7	0	0	112.9	R513 Y522	R513-E517 HydrophobicContact CG-CG 4.15Å; R513-E517 WeakPolarHBondContact CG-OE1 3.34Å; R513-E517 IonicContact NE-OE1 3.25Å; R513-E517 IonicContact NE-OE2 2.87Å; R513-E517 WeakPolarHBondContact O-CB 3.29Å; R513-E517 VanDerWaalsContact O-CG 3.31Å; R513-E517 WeakPolarHBondContact O-CG 3.26Å; R513-E517 PolarHBondContact O-N 3.11Å; E517-Y522 HydrophobicContact CB-CD1 4.4Å; E517-Y522 HydrophobicContact CB-CE1 4.2Å; E517-Y522 HydrophobicContact CB-CE2 4.39Å; E517-Y522 HydrophobicContact CG-CD2 4.47Å; E517-Y522 HydrophobicContact CG-CE1 4.26Å; E517-Y522 HydrophobicContact CG-CE2 3.87Å; E517-Y522 VanDerWaalsContact O-CD1 3.26Å; E517-Y522 WeakPolarHBondContact O-CD1 3.5Å
518	G	97.4	Very high	97.3	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-83.9	-11.1	178.3	0	0	0	0	0	114.7	R470 I471 F514 E516	R470-G518 VanDerWaalsContact CA-O 3.28Å; R470-G518 WeakPolarHBondContact CA-O 3.4Å; R470-G518 WeakPolarHBondContact CD-O 3.34Å; I471-G518 PolarHBondContact N-O 3.39Å; I471-G518 VanDerWaalsContact O-CA 3.26Å; I471-G518 WeakPolarHBondContact O-CA 3.24Å; F514-G518 WeakPolarHBondContact O-CA 3.38Å; F514-G518 PolarHBondContact O-N 3.09Å; E516-G518 VanDerWaalsContact C-N 3.3Å; E516-G518 PolarHBondContact O-N 3.01Å
519	S	97.9	Very high	97.5	Very high	27 Å²	27	46.3 Å²	46.3	19%	0.189	21%	0.209	C	C	.	.	S	Bend	trans	-59.5	142.7	179.9	176	0	0	0	0	112.6	E515 E516 Y521 Y522 S523	E515-S519 PolarHBondContact O-N 3.09Å; E516-S519 VanDerWaalsContact O-CB 3.31Å; E516-S519 WeakPolarHBondContact O-CB 3.49Å; E516-S519 PolarHBondContact O-N 3.11Å; S519-Y521 PolarHBondContact O-N 2.61Å; S519-Y521 PolarHBondContact OG-N 3.18Å; S519-Y522 WeakPolarHBondContact O-CB 3.49Å; S519-Y522 PolarHBondContact O-N 3.17Å; S519-S523 PolarHBondContact O-N 3.4Å; S519-S523 VanDerWaalsContact O-N 3.1Å
520	P	98.4	Very high	97.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-27.4	177.4	25.9	-32.6	0	0	0	111.8	M465 P467 S469 S524 I532	M465-P520 HydrophobicContact CB-CB 4.46Å; M465-P520 HydrophobicContact CE-CB 4.14Å; P467-P520 WeakPolarHBondContact O-CG 3.49Å; S469-P520 WeakPolarHBondContact O-CD 3.35Å; P520-S524 VanDerWaalsContact O-CB 3.26Å; P520-S524 WeakPolarHBondContact O-CB 3.5Å; P520-S524 PolarHBondContact O-N 3.47Å; P520-I532 HydrophobicContact CB-CD1 3.9Å; P520-I532 HydrophobicContact CB-CG1 4.12Å; P520-I532 HydrophobicContact CG-CD1 4.41Å
521	Y	98.6	Very high	97.7	Very high	15 Å²	15	42 Å²	42	6%	0.059	18%	0.183	C	C	.	.	H	α-helix	trans	-70.8	-37.9	175.1	-61.4	-77.3	0	0	0	112.4	L57 R60 F104 S519 S523 A525 I532	L57-Y521 WeakPolarHBondContact CA-OH 3.28Å; L57-Y521 HydrophobicContact CD1-CE1 4.44Å; L57-Y521 PolarHBondContact N-OH 3.17Å; R60-Y521 VanDerWaalsContact CD-CE1 3.43Å; R60-Y521 VanDerWaalsContact NH1-CZ 3.31Å; F104-Y521 AromaticContact CD1-CD1 3.73Å; F104-Y521 HydrophobicContact CD1-CD1 3.73Å; F104-Y521 HydrophobicContact CD1-CE1 4.15Å; F104-Y521 AromaticContact CE1-CD1 3.6Å; F104-Y521 HydrophobicContact CE1-CD1 3.6Å; F104-Y521 AromaticContact CE1-CE1 3.55Å; F104-Y521 HydrophobicContact CE1-CE1 3.55Å; F104-Y521 HydrophobicContact CE2-CE1 4.4Å; F104-Y521 HydrophobicContact CG-CD1 4.36Å; F104-Y521 HydrophobicContact CZ-CD1 4.16Å; F104-Y521 AromaticContact CZ-CE1 3.72Å; F104-Y521 HydrophobicContact CZ-CE1 3.72Å; S519-Y521 PolarHBondContact O-N 2.61Å; S519-Y521 PolarHBondContact OG-N 3.18Å; Y521-S523 VanDerWaalsContact C-N 3.34Å; Y521-A525 WeakPolarHBondContact O-CB 3.28Å; Y521-A525 PolarHBondContact O-N 2.94Å; Y521-I532 HydrophobicContact CD1-CD1 3.52Å; Y521-I532 HydrophobicContact CE1-CD1 3.67Å; Y521-I532 HydrophobicContact CG-CD1 4Å
522	Y	98.6	Very high	97.9	Very high	68 Å²	68	40.1 Å²	40.1	27%	0.267	17%	0.171	S	C	.	.	H	α-helix	trans	-65	-41.8	175.3	-170.8	-79.6	0	0	0	111	E516 E517 S519 R526 W528	E516-Y522 WeakPolarHBondContact O-CB 3.39Å; E517-Y522 HydrophobicContact CB-CD1 4.4Å; E517-Y522 HydrophobicContact CB-CE1 4.2Å; E517-Y522 HydrophobicContact CB-CE2 4.39Å; E517-Y522 HydrophobicContact CG-CD2 4.47Å; E517-Y522 HydrophobicContact CG-CE1 4.26Å; E517-Y522 HydrophobicContact CG-CE2 3.87Å; E517-Y522 VanDerWaalsContact O-CD1 3.26Å; E517-Y522 WeakPolarHBondContact O-CD1 3.5Å; S519-Y522 WeakPolarHBondContact O-CB 3.49Å; S519-Y522 PolarHBondContact O-N 3.17Å; Y522-R526 VanDerWaalsContact CE1-CD 3.48Å; Y522-R526 VanDerWaalsContact CG-NH1 3.32Å; Y522-R526 VanDerWaalsContact CZ-NE 3.32Å; Y522-R526 WeakPolarHBondContact O-CD 3.31Å; Y522-R526 PolarHBondContact O-NH1 3.19Å; Y522-R526 PolarHBondContact OH-NE 3.29Å; Y522-R526 PolarHBondContact OH-NH2 2.96Å; Y522-W528 AromaticContact CD1-CH2 3.83Å; Y522-W528 HydrophobicContact CD1-CH2 3.83Å; Y522-W528 HydrophobicContact CD1-CZ3 4.01Å; Y522-W528 AromaticContact CE1-CH2 3.62Å; Y522-W528 HydrophobicContact CE1-CH2 3.62Å; Y522-W528 HydrophobicContact CE1-CZ2 4.2Å; Y522-W528 HydrophobicContact CE1-CZ3 4.27Å
523	S	98.8	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-54.7	174.8	176.4	0	0	0	0	112.3	M465 S519 Y521 A525 R526 L527 W528 D529	M465-S523 PolarHBondContact SD-OG 2.86Å; S519-S523 PolarHBondContact O-N 3.4Å; S519-S523 VanDerWaalsContact O-N 3.1Å; Y521-S523 VanDerWaalsContact C-N 3.34Å; S523-A525 VanDerWaalsContact C-N 3.33Å; S523-A525 PolarHBondContact O-N 2.57Å; S523-R526 CarbonylContact O-C 3.57Å; S523-R526 WeakPolarHBondContact O-CA 3.34Å; S523-R526 PolarHBondContact O-N 2.88Å; S523-L527 PolarHBondContact O-N 3.06Å; S523-L527 VanDerWaalsContact O-N 3.14Å; S523-W528 PolarHBondContact O-N 2.95Å; S523-W528 WeakPolarHBondContact OG-CB 3.48Å; S523-D529 VanDerWaalsContact C-OD2 3.27Å; S523-D529 WeakPolarHBondContact CB-OD2 3.43Å; S523-D529 PolarHBondContact OG-OD2 2.97Å
524	S	98.8	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.6	-30.9	-173.6	-154.5	0	0	0	0	112.1	P520 R526 L527 D529	P520-S524 VanDerWaalsContact O-CB 3.26Å; P520-S524 WeakPolarHBondContact O-CB 3.5Å; P520-S524 PolarHBondContact O-N 3.47Å; S524-R526 PolarHBondContact O-N 3.33Å; S524-R526 VanDerWaalsContact O-N 3.15Å; S524-L527 PolarHBondContact O-N 3.01Å; S524-D529 WeakPolarHBondContact CA-OD2 3.13Å; S524-D529 WeakPolarHBondContact CB-OD1 3.32Å; S524-D529 WeakPolarHBondContact CB-OD2 3.5Å; S524-D529 PolarHBondContact N-OD2 3.4Å; S524-D529 PolarHBondContact OG-OD1 3.39Å
525	A	98.8	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.4	-28	168.6	0	0	0	0	0	113.8	F104 G106 Y107 I149 Y521 S523	F104-A525 WeakPolarHBondContact O-CA 3.47Å; G106-A525 PolarHBondContact N-O 3.34Å; Y107-A525 WeakPolarHBondContact O-CB 3.11Å; I149-A525 VanDerWaalsContact CD1-O 3.32Å; I149-A525 WeakPolarHBondContact CD1-O 3.41Å; I149-A525 WeakPolarHBondContact CG1-O 3.41Å; Y521-A525 WeakPolarHBondContact O-CB 3.28Å; Y521-A525 PolarHBondContact O-N 2.94Å; S523-A525 VanDerWaalsContact C-N 3.33Å; S523-A525 PolarHBondContact O-N 2.57Å
526	R	98.7	Very high	98.4	Very high	52 Å²	52	23 Å²	23	20%	0.196	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.5	-176.3	-68.5	168.2	179.7	68.7	3.5	113.2	L109 K152 Y522 S523 S524 W528	L109-R526 HydrophobicContact CD1-CG 4.17Å; K152-R526 WeakPolarHBondContact CE-O 3.12Å; K152-R526 PolarHBondContact NZ-O 3.03Å; Y522-R526 VanDerWaalsContact CE1-CD 3.48Å; Y522-R526 VanDerWaalsContact CG-NH1 3.32Å; Y522-R526 VanDerWaalsContact CZ-NE 3.32Å; Y522-R526 WeakPolarHBondContact O-CD 3.31Å; Y522-R526 PolarHBondContact O-NH1 3.19Å; Y522-R526 PolarHBondContact OH-NE 3.29Å; Y522-R526 PolarHBondContact OH-NH2 2.96Å; S523-R526 CarbonylContact O-C 3.57Å; S523-R526 WeakPolarHBondContact O-CA 3.34Å; S523-R526 PolarHBondContact O-N 2.88Å; S524-R526 PolarHBondContact O-N 3.33Å; S524-R526 VanDerWaalsContact O-N 3.15Å; R526-W528 VanDerWaalsContact C-N 3.35Å; R526-W528 HydrophobicContact CB-CD2 4.44Å; R526-W528 HydrophobicContact CB-CG 4.47Å; R526-W528 PolarHBondContact O-N 3.05Å
527	L	98.6	Very high	98.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	45.4	-176.5	-71.8	74	0	0	0	112.9	A105 I149 K152 K153 R156 S523 S524 D529	A105-L527 HydrophobicContact CB-CD1 3.56Å; I149-L527 HydrophobicContact CD1-CD1 3.46Å; I149-L527 VanDerWaalsContact CD1-CD1 3.46Å; I149-L527 HydrophobicContact CG1-CD1 3.72Å; K152-L527 HydrophobicContact CD-CB 4.29Å; K152-L527 HydrophobicContact CG-CD2 4.29Å; K153-L527 HydrophobicContact CB-CD2 3.73Å; K153-L527 HydrophobicContact CG-CD2 4.17Å; R156-L527 HydrophobicContact CB-CD2 4.2Å; S523-L527 PolarHBondContact O-N 3.06Å; S523-L527 VanDerWaalsContact O-N 3.14Å; S524-L527 PolarHBondContact O-N 3.01Å; L527-D529 VanDerWaalsContact C-N 3.25Å
528	W	98.7	Very high	98.6	Very high	92 Å²	92	18.8 Å²	18.8	35%	0.348	9%	0.09	S	C	.	.	S	Bend	trans	-78.6	-21.8	163	-55.4	-18	0	0	0	110.9	R456 I471 Y522 S523 R526	R456-W528 WeakPolarHBondContact CB-O 3.36Å; R456-W528 VanDerWaalsContact CD-O 3.32Å; R456-W528 WeakPolarHBondContact CD-O 3.42Å; R456-W528 WeakPolarHBondContact CG-O 3.35Å; I471-W528 HydrophobicContact CG2-CE3 4.18Å; I471-W528 HydrophobicContact CG2-CZ3 4.44Å; Y522-W528 AromaticContact CD1-CH2 3.83Å; Y522-W528 HydrophobicContact CD1-CH2 3.83Å; Y522-W528 HydrophobicContact CD1-CZ3 4.01Å; Y522-W528 AromaticContact CE1-CH2 3.62Å; Y522-W528 HydrophobicContact CE1-CH2 3.62Å; Y522-W528 HydrophobicContact CE1-CZ2 4.2Å; Y522-W528 HydrophobicContact CE1-CZ3 4.27Å; S523-W528 PolarHBondContact O-N 2.95Å; S523-W528 WeakPolarHBondContact OG-CB 3.48Å; R526-W528 VanDerWaalsContact C-N 3.35Å; R526-W528 HydrophobicContact CB-CD2 4.44Å; R526-W528 HydrophobicContact CB-CG 4.47Å; R526-W528 PolarHBondContact O-N 3.05Å
529	D	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-123.4	167.7	169.9	60.7	91.1	0	0	0	111.4	L463 M465 S523 S524 L527 G531	L463-D529 HydrophobicContact CD2-CB 3.52Å; M465-D529 HydrophobicContact CG-CB 3.71Å; M465-D529 HydrophobicContact SD-CB 3.83Å; M465-D529 VanDerWaalsContact SD-OD2 3.37Å; S523-D529 VanDerWaalsContact C-OD2 3.27Å; S523-D529 WeakPolarHBondContact CB-OD2 3.43Å; S523-D529 PolarHBondContact OG-OD2 2.97Å; S524-D529 WeakPolarHBondContact CA-OD2 3.13Å; S524-D529 WeakPolarHBondContact CB-OD1 3.32Å; S524-D529 WeakPolarHBondContact CB-OD2 3.5Å; S524-D529 PolarHBondContact N-OD2 3.4Å; S524-D529 PolarHBondContact OG-OD1 3.39Å; L527-D529 VanDerWaalsContact C-N 3.25Å; D529-G531 VanDerWaalsContact OD1-C 3.31Å; D529-G531 WeakPolarHBondContact OD1-CA 3.38Å; D529-G531 PolarHBondContact OD1-N 2.9Å
530	D	98.9	Very high	98.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-96.1	7.8	176.4	-56.5	-43.8	0	0	0	111.6	F101 S102 R156 R456 F462 L463 Y464	F101-D530 CarbonylContact C-O 3.56Å; F101-D530 WeakPolarHBondContact CA-O 3.31Å; F101-D530 HydrophobicContact CB-CB 4.21Å; F101-D530 WeakPolarHBondContact CB-O 3.15Å; S102-D530 PolarHBondContact N-O 3.27Å; R156-D530 IonicContact CZ-OD1 3.88Å; R156-D530 IonicContact CZ-OD2 2.85Å; R156-D530 IonicContact NE-OD1 2.7Å; R156-D530 PolarHBondContact NE-OD1 2.94Å; R156-D530 IonicContact NE-OD2 2.74Å; R156-D530 IonicContact NH2-OD1 3.65Å; R156-D530 PolarHBondContact NH2-OD1 2.77Å; R156-D530 IonicContact NH2-OD2 2.98Å; R156-D530 PolarHBondContact NH2-OD2 2.6Å; R456-D530 IonicContact CZ-OD1 2.91Å; R456-D530 IonicContact NH1-OD1 3.18Å; R456-D530 PolarHBondContact NH1-OD1 3.37Å; R456-D530 IonicContact NH2-OD1 2.99Å; F462-D530 WeakPolarHBondContact CA-OD2 3.35Å; L463-D530 PolarHBondContact N-OD2 3.09Å; L463-D530 WeakPolarHBondContact O-CB 3.23Å; L463-D530 PolarHBondContact O-N 2.73Å; Y464-D530 HydrophobicContact CE1-CB 4.27Å
531	G	98.3	Very high	98.7	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	11%	0.11	C	C	.	.			trans	147.2	150.3	174.3	0	0	0	0	0	113.7	Y464 M465 D529	Y464-G531 WeakPolarHBondContact CA-O 3.43Å; M465-G531 PolarHBondContact N-O 3.05Å; D529-G531 VanDerWaalsContact OD1-C 3.31Å; D529-G531 WeakPolarHBondContact OD1-CA 3.38Å; D529-G531 PolarHBondContact OD1-N 2.9Å
532	I	98.9	Very high	98.7	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-86.4	127.8	166.2	-47.2	171.9	0	0	0	107.4	L57 F104 M465 P467 P520 Y521	L57-I532 HydrophobicContact CD1-CB 3.83Å; L57-I532 HydrophobicContact CD1-CG2 3.85Å; L57-I532 HydrophobicContact CD2-CG2 3.93Å; L57-I532 HydrophobicContact CG-CG2 4.5Å; F104-I532 HydrophobicContact CD2-CD1 4.09Å; F104-I532 HydrophobicContact CD2-CG1 4.38Å; F104-I532 HydrophobicContact CE2-CD1 4.32Å; F104-I532 HydrophobicContact CG-CD1 4.41Å; M465-I532 CarbonylContact O-C 3.57Å; M465-I532 VanDerWaalsContact O-CA 3.25Å; M465-I532 WeakPolarHBondContact O-CA 3.43Å; P467-I532 HydrophobicContact CB-CG2 4.07Å; P520-I532 HydrophobicContact CB-CD1 3.9Å; P520-I532 HydrophobicContact CB-CG1 4.12Å; P520-I532 HydrophobicContact CG-CD1 4.41Å; Y521-I532 HydrophobicContact CD1-CD1 3.52Å; Y521-I532 HydrophobicContact CE1-CD1 3.67Å; Y521-I532 HydrophobicContact CG-CD1 4Å
533	I	98.8	Very high	98.7	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.097	10%	0.097	C	C	.	.			trans	-118.3	150.7	-178.9	64.4	174.3	0	0	0	111	V440 Y464 M465 P467 V541	V440-I533 HydrophobicContact CG1-CD1 4.42Å; Y464-I533 HydrophobicContact CD1-CG2 3.99Å; Y464-I533 HydrophobicContact CG-CD1 4.29Å; Y464-I533 HydrophobicContact CG-CG2 4.32Å; M465-I533 PolarHBondContact O-N 3.47Å; P467-I533 WeakPolarHBondContact CD-O 3.44Å; I533-V541 HydrophobicContact CD1-CB 4.28Å; I533-V541 HydrophobicContact CD1-CG1 4.18Å; I533-V541 HydrophobicContact CD1-CG2 4.38Å; I533-V541 HydrophobicContact CG2-CG1 4.39Å; I533-V541 HydrophobicContact CG2-CG2 4.14Å
534	D	98.8	Very high	98.7	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.059	11%	0.107	C	C	.	.			trans	-61.5	128.9	166	-172.5	-34.2	0	0	0	108.7	V54 R58 Y319 A536 D537	V54-D534 VanDerWaalsContact CG1-OD2 3.24Å; V54-D534 WeakPolarHBondContact CG1-OD2 3.4Å; R58-D534 IonicContact CZ-OD2 2.77Å; R58-D534 IonicContact NE-OD2 3.59Å; R58-D534 IonicContact NH2-OD2 2.73Å; R58-D534 PolarHBondContact NH2-OD2 3Å; Y319-D534 WeakPolarHBondContact CE1-OD1 3.38Å; Y319-D534 PolarHBondContact OH-OD1 2.7Å; Y319-D534 PolarHBondContact OH-OD2 2.78Å; D534-A536 PolarHBondContact O-N 3.28Å; D534-A536 VanDerWaalsContact O-N 3.13Å; D534-A536 WeakPolarHBondContact OD1-CB 3.2Å; D534-A536 PolarHBondContact OD1-N 2.87Å; D534-D537 HydrophobicContact CB-CB 4.25Å; D534-D537 PolarHBondContact O-N 2.8Å
535	P	98.8	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-49.1	-37.9	175.5	-29.1	35.6	0	0	0	113.6	M50 L318 Y319 W466 D537 T538	M50-P535 HydrophobicContact CE-CG 4.19Å; M50-P535 HydrophobicContact CG-CG 4.36Å; M50-P535 HydrophobicContact SD-CG 3.9Å; L318-P535 HydrophobicContact CB-CB 4.24Å; L318-P535 VanDerWaalsContact CD1-O 3.26Å; L318-P535 WeakPolarHBondContact CD1-O 3.35Å; Y319-P535 HydrophobicContact CD1-CB 4.18Å; Y319-P535 HydrophobicContact CD1-CG 4.33Å; Y319-P535 HydrophobicContact CE1-CB 4.05Å; Y319-P535 HydrophobicContact CE1-CG 4.24Å; W466-P535 HydrophobicContact CB-CG 4.43Å; W466-P535 HydrophobicContact CD2-CB 3.8Å; W466-P535 HydrophobicContact CD2-CG 3.74Å; W466-P535 HydrophobicContact CE3-CB 3.92Å; W466-P535 HydrophobicContact CE3-CG 3.86Å; W466-P535 HydrophobicContact CG-CB 4.43Å; W466-P535 HydrophobicContact CG-CG 4.01Å; W466-P535 HydrophobicContact CH2-CB 3.91Å; W466-P535 HydrophobicContact CZ2-CB 3.78Å; W466-P535 HydrophobicContact CZ3-CB 3.96Å; W466-P535 HydrophobicContact CZ3-CG 4.33Å; P535-D537 VanDerWaalsContact C-N 3.25Å; P535-D537 PolarHBondContact O-N 2.84Å; P535-T538 VanDerWaalsContact O-CB 3.3Å; P535-T538 WeakPolarHBondContact O-CB 3.38Å; P535-T538 PolarHBondContact O-N 2.89Å; P535-T538 PolarHBondContact O-OG1 3.29Å
536	A	98.6	Very high	98.7	Very high	16 Å²	16	21.7 Å²	21.7	13%	0.132	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-67.9	-23.5	-179.5	0	0	0	0	0	113.4	S315 Y319 D534	S315-A536 WeakPolarHBondContact CB-O 3.07Å; S315-A536 PolarHBondContact OG-O 3.35Å; Y319-A536 HydrophobicContact CE1-CB 4.07Å; Y319-A536 WeakPolarHBondContact OH-CB 3.49Å; D534-A536 PolarHBondContact O-N 3.28Å; D534-A536 VanDerWaalsContact O-N 3.13Å; D534-A536 WeakPolarHBondContact OD1-CB 3.2Å; D534-A536 PolarHBondContact OD1-N 2.87Å
537	D	98.5	Very high	98.7	Very high	79 Å²	79	19.8 Å²	19.8	42%	0.422	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-87.7	-6.2	179.3	-71.7	-27	0	0	0	113.1	D534 P535 R539 L540 V541	D534-D537 HydrophobicContact CB-CB 4.25Å; D534-D537 PolarHBondContact O-N 2.8Å; P535-D537 VanDerWaalsContact C-N 3.25Å; P535-D537 PolarHBondContact O-N 2.84Å; D537-R539 PolarHBondContact O-N 3.15Å; D537-R539 VanDerWaalsContact O-N 3.11Å; D537-L540 PolarHBondContact O-N 2.87Å; D537-V541 HydrophobicContact CB-CG2 4.36Å; D537-V541 WeakPolarHBondContact O-CG2 2.94Å; D537-V541 PolarHBondContact O-N 2.85Å
538	T	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-49.3	-44.4	-176.1	-60.8	0	0	0	0	112.6	I339 V440 W466 P535 L542	I339-T538 HydrophobicContact CG2-CG2 4.04Å; V440-T538 HydrophobicContact CG1-CG2 4.42Å; V440-T538 HydrophobicContact CG2-CG2 4.34Å; W466-T538 PolarHBondContact NE1-OG1 3.48Å; P535-T538 VanDerWaalsContact O-CB 3.3Å; P535-T538 WeakPolarHBondContact O-CB 3.38Å; P535-T538 PolarHBondContact O-N 2.89Å; P535-T538 PolarHBondContact O-OG1 3.29Å; T538-L542 HydrophobicContact CG2-CD1 3.76Å; T538-L542 HydrophobicContact CG2-CG 4.34Å; T538-L542 WeakPolarHBondContact O-CB 3.15Å; T538-L542 VanDerWaalsContact O-CG 3.24Å; T538-L542 WeakPolarHBondContact O-CG 3.05Å; T538-L542 PolarHBondContact O-N 2.9Å
539	R	98.7	Very high	98.7	Very high	26 Å²	26	15.5 Å²	15.5	10%	0.098	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-50.2	178.3	176.7	173.6	169.5	87.7	-1.6	111.7	E309 I339 V340 D341 F364 D537 L542 G543	E309-R539 PolarHBondContact O-NH2 2.73Å; I339-R539 HydrophobicContact CB-CB 4.3Å; I339-R539 HydrophobicContact CG2-CB 4.47Å; I339-R539 WeakPolarHBondContact O-CD 3.46Å; I339-R539 WeakPolarHBondContact O-CG 3.33Å; I339-R539 PolarHBondContact O-NH1 3.28Å; V340-R539 VanDerWaalsContact C-NH1 3.31Å; D341-R539 IonicContact OD1-CZ 3.65Å; D341-R539 IonicContact OD1-NH1 2.76Å; D341-R539 PolarHBondContact OD1-NH1 2.83Å; D341-R539 IonicContact OD1-NH2 3.52Å; D341-R539 PolarHBondContact OD1-NH2 3.5Å; F364-R539 HydrophobicContact CD2-CG 4.48Å; F364-R539 HydrophobicContact CE2-CG 3.76Å; F364-R539 WeakPolarHBondContact CE2-O 3.25Å; F364-R539 HydrophobicContact CZ-CG 4.31Å; D537-R539 PolarHBondContact O-N 3.15Å; D537-R539 VanDerWaalsContact O-N 3.11Å; R539-L542 PolarHBondContact O-N 3.09Å; R539-G543 PolarHBondContact O-N 2.77Å
540	L	98.5	Very high	98.6	Very high	86 Å²	86	16.1 Å²	16.1	45%	0.45	9%	0.09	S	C	.	.	H	α-helix	trans	-62.8	-48	-178.5	178.9	60.6	0	0	0	110.8	F364 D537 L542 G543 L544	F364-L540 HydrophobicContact CZ-CD1 4.29Å; D537-L540 PolarHBondContact O-N 2.87Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L540-L542 PolarHBondContact O-N 2.77Å; L540-G543 PolarHBondContact O-N 3.12Å; L540-G543 VanDerWaalsContact O-N 3.14Å; L540-L544 HydrophobicContact CD1-CD1 4.32Å; L540-L544 HydrophobicContact CD1-CG 4.3Å; L540-L544 HydrophobicContact CG-CD1 4.27Å; L540-L544 WeakPolarHBondContact O-CG 3.02Å; L540-L544 PolarHBondContact O-N 2.7Å
541	V	98.8	Very high	98.5	Very high	15 Å²	15	16.8 Å²	16.8	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-58.2	-45.3	178.2	170.1	0	0	0	0	111.4	L99 Y464 I533 D537 L544 S545	L99-V541 HydrophobicContact CD1-CG1 4.22Å; L99-V541 HydrophobicContact CD1-CG2 4.48Å; Y464-V541 HydrophobicContact CD1-CG1 4.16Å; Y464-V541 HydrophobicContact CD2-CG1 3.64Å; Y464-V541 HydrophobicContact CE1-CG1 3.88Å; Y464-V541 HydrophobicContact CE2-CG1 3.31Å; Y464-V541 HydrophobicContact CG-CG1 4.04Å; Y464-V541 VanDerWaalsContact CZ-CG1 3.43Å; I533-V541 HydrophobicContact CD1-CB 4.28Å; I533-V541 HydrophobicContact CD1-CG1 4.18Å; I533-V541 HydrophobicContact CD1-CG2 4.38Å; I533-V541 HydrophobicContact CG2-CG1 4.39Å; I533-V541 HydrophobicContact CG2-CG2 4.14Å; D537-V541 HydrophobicContact CB-CG2 4.36Å; D537-V541 WeakPolarHBondContact O-CG2 2.94Å; D537-V541 PolarHBondContact O-N 2.85Å; V541-L544 PolarHBondContact O-N 2.81Å; V541-S545 VanDerWaalsContact O-CB 3.3Å; V541-S545 WeakPolarHBondContact O-CB 3.32Å; V541-S545 PolarHBondContact O-N 3.05Å; V541-S545 PolarHBondContact O-OG 3.19Å
542	L	98.9	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-41.1	175.6	-73.9	172.2	0	0	0	111.9	I339 I363 I400 M438 V440 T538 R539 L540 S545 L546	I339-L542 HydrophobicContact CD1-CD1 4.23Å; I363-L542 HydrophobicContact CD1-CB 4.36Å; I363-L542 HydrophobicContact CD1-CD1 4.04Å; I400-L542 HydrophobicContact CD1-CD1 4.3Å; I400-L542 HydrophobicContact CD1-CD2 4.46Å; I400-L542 HydrophobicContact CG2-CD1 4.27Å; I400-L542 HydrophobicContact CG2-CD2 4.37Å; M438-L542 HydrophobicContact CB-CD2 4.06Å; V440-L542 HydrophobicContact CG2-CD1 4.41Å; V440-L542 HydrophobicContact CG2-CD2 4Å; V440-L542 HydrophobicContact CG2-CG 4.39Å; T538-L542 HydrophobicContact CG2-CD1 3.76Å; T538-L542 HydrophobicContact CG2-CG 4.34Å; T538-L542 WeakPolarHBondContact O-CB 3.15Å; T538-L542 VanDerWaalsContact O-CG 3.24Å; T538-L542 WeakPolarHBondContact O-CG 3.05Å; T538-L542 PolarHBondContact O-N 2.9Å; R539-L542 PolarHBondContact O-N 3.09Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L540-L542 PolarHBondContact O-N 2.77Å; L542-S545 PolarHBondContact O-N 3.17Å; L542-L546 VanDerWaalsContact O-CB 3.3Å; L542-L546 WeakPolarHBondContact O-CB 3.35Å; L542-L546 WeakPolarHBondContact O-CD1 3.44Å; L542-L546 VanDerWaalsContact O-CG 3.24Å; L542-L546 WeakPolarHBondContact O-CG 3.19Å; L542-L546 PolarHBondContact O-N 3.15Å
543	G	98.6	Very high	98.2	Very high	5 Å²	5	19.9 Å²	19.9	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-46	176.3	0	0	0	0	0	113.3	R539 L540 S547	R539-G543 PolarHBondContact O-N 2.77Å; L540-G543 PolarHBondContact O-N 3.12Å; L540-G543 VanDerWaalsContact O-N 3.14Å; G543-S547 WeakPolarHBondContact O-CB 3.36Å; G543-S547 PolarHBondContact O-N 2.74Å
544	L	98.8	Very high	97.8	Very high	41 Å²	41	21.8 Å²	21.8	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-42.3	176.1	-63.5	175.9	0	0	0	111.5	P97 L99 L540 V541 S547 A548	P97-L544 HydrophobicContact CB-CD1 3.98Å; P97-L544 HydrophobicContact CB-CD2 4.25Å; P97-L544 HydrophobicContact CG-CD1 4.18Å; P97-L544 HydrophobicContact CG-CD2 3.52Å; L99-L544 HydrophobicContact CB-CD1 4.29Å; L99-L544 HydrophobicContact CD1-CD1 4.5Å; L99-L544 HydrophobicContact CD2-CB 4.03Å; L540-L544 HydrophobicContact CD1-CD1 4.32Å; L540-L544 HydrophobicContact CD1-CG 4.3Å; L540-L544 HydrophobicContact CG-CD1 4.27Å; L540-L544 WeakPolarHBondContact O-CG 3.02Å; L540-L544 PolarHBondContact O-N 2.7Å; V541-L544 PolarHBondContact O-N 2.81Å; L544-S547 PolarHBondContact O-N 2.73Å; L544-A548 WeakPolarHBondContact O-CB 3.48Å; L544-A548 PolarHBondContact O-N 3.09Å
545	S	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-41.7	177.5	-59.2	0	0	0	0	112.2	Y464 V541 L542 A548 A549	Y464-S545 WeakPolarHBondContact CE2-OG 3.31Å; Y464-S545 PolarHBondContact OH-OG 3.03Å; V541-S545 VanDerWaalsContact O-CB 3.3Å; V541-S545 WeakPolarHBondContact O-CB 3.32Å; V541-S545 PolarHBondContact O-N 3.05Å; V541-S545 PolarHBondContact O-OG 3.19Å; L542-S545 PolarHBondContact O-N 3.17Å; S545-A548 PolarHBondContact O-N 2.72Å; S545-A549 WeakPolarHBondContact O-CB 3.4Å; S545-A549 PolarHBondContact O-N 3.34Å
546	L	98.6	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-50.6	174.7	-80.5	162.8	0	0	0	110.9	I363 Y366 V368 P398 M438 L542 A548 A549 L550	I363-L546 HydrophobicContact CB-CD1 3.89Å; I363-L546 HydrophobicContact CG2-CD1 4.03Å; Y366-L546 HydrophobicContact CD2-CB 3.89Å; Y366-L546 HydrophobicContact CD2-CD1 4.37Å; Y366-L546 HydrophobicContact CE2-CB 4.43Å; Y366-L546 HydrophobicContact CG-CB 4.43Å; V368-L546 HydrophobicContact CG1-CD1 3.82Å; V368-L546 HydrophobicContact CG1-CD2 3.91Å; P398-L546 HydrophobicContact CB-CD2 3.76Å; P398-L546 HydrophobicContact CG-CD2 4.11Å; M438-L546 HydrophobicContact CE-CD2 3.23Å; M438-L546 HydrophobicContact CE-CG 3.71Å; L542-L546 VanDerWaalsContact O-CB 3.3Å; L542-L546 WeakPolarHBondContact O-CB 3.35Å; L542-L546 WeakPolarHBondContact O-CD1 3.44Å; L542-L546 VanDerWaalsContact O-CG 3.24Å; L542-L546 WeakPolarHBondContact O-CG 3.19Å; L542-L546 PolarHBondContact O-N 3.15Å; L546-A548 VanDerWaalsContact C-N 3.32Å; L546-A548 PolarHBondContact O-N 3.08Å; L546-A549 PolarHBondContact O-N 3.34Å; L546-L550 VanDerWaalsContact O-CG 3.24Å; L546-L550 WeakPolarHBondContact O-CG 3.37Å; L546-L550 PolarHBondContact O-N 3.43Å
547	S	98.4	Very high	97.4	Very high	13 Å²	13	34.9 Å²	34.9	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-54.3	-51.6	176.1	-176.6	0	0	0	0	110.3	E131 K299 G543 L544 A549 L550 N551	E131-S547 WeakPolarHBondContact OE1-CB 3.18Å; E131-S547 PolarHBondContact OE1-OG 2.91Å; K299-S547 VanDerWaalsContact CE-O 3.3Å; K299-S547 WeakPolarHBondContact CE-O 3.42Å; K299-S547 PolarHBondContact NZ-O 3.42Å; K299-S547 PolarHBondContact NZ-OG 3.28Å; G543-S547 WeakPolarHBondContact O-CB 3.36Å; G543-S547 PolarHBondContact O-N 2.74Å; L544-S547 PolarHBondContact O-N 2.73Å; S547-A549 PolarHBondContact O-N 3.46Å; S547-L550 PolarHBondContact O-N 3.48Å; S547-N551 PolarHBondContact O-ND2 3Å
548	A	98.6	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-46.1	179	0	0	0	0	0	112.2	I124 L166 F462 L544 S545 L546 L550 N551	I124-A548 HydrophobicContact CD1-CB 3.83Å; L166-A548 HydrophobicContact CD1-CB 4.29Å; F462-A548 HydrophobicContact CZ-CB 4.3Å; L544-A548 WeakPolarHBondContact O-CB 3.48Å; L544-A548 PolarHBondContact O-N 3.09Å; S545-A548 PolarHBondContact O-N 2.72Å; L546-A548 VanDerWaalsContact C-N 3.32Å; L546-A548 PolarHBondContact O-N 3.08Å; A548-L550 VanDerWaalsContact C-N 3.28Å; A548-L550 PolarHBondContact O-N 3.29Å; A548-N551 WeakPolarHBondContact O-CB 3.42Å; A548-N551 PolarHBondContact O-N 2.84Å; A548-N551 PolarHBondContact O-ND2 2.68Å
549	A	98.4	Very high	97.3	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-28.3	-178	0	0	0	0	0	114.2	N164 P436 R461 S545 L546 S547 N551 A552	N164-A549 VanDerWaalsContact OD1-CA 3.25Å; N164-A549 WeakPolarHBondContact OD1-CA 3.35Å; N164-A549 WeakPolarHBondContact OD1-CB 3.32Å; P436-A549 HydrophobicContact CB-CB 3.89Å; P436-A549 HydrophobicContact CG-CB 4.17Å; R461-A549 HydrophobicContact CG-CB 4.43Å; S545-A549 WeakPolarHBondContact O-CB 3.4Å; S545-A549 PolarHBondContact O-N 3.34Å; L546-A549 PolarHBondContact O-N 3.34Å; S547-A549 PolarHBondContact O-N 3.46Å; A549-N551 PolarHBondContact O-N 3.46Å; A549-A552 PolarHBondContact O-N 3.1Å
550	L	97.5	Very high	97.3	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.073	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5.4	177.2	-67.6	170.9	0	0	0	113.8	I301 V303 Y366 P398 L546 S547 A548	I301-L550 HydrophobicContact CG2-CD1 4.25Å; V303-L550 HydrophobicContact CG1-CD2 4.2Å; V303-L550 HydrophobicContact CG2-CD1 3.98Å; V303-L550 HydrophobicContact CG2-CD2 3.89Å; Y366-L550 HydrophobicContact CD1-CD1 3.4Å; Y366-L550 HydrophobicContact CE1-CD1 3.69Å; Y366-L550 HydrophobicContact CG-CD1 3.97Å; P398-L550 HydrophobicContact CG-CD2 4.47Å; L546-L550 VanDerWaalsContact O-CG 3.24Å; L546-L550 WeakPolarHBondContact O-CG 3.37Å; L546-L550 PolarHBondContact O-N 3.43Å; S547-L550 PolarHBondContact O-N 3.48Å; A548-L550 VanDerWaalsContact C-N 3.28Å; A548-L550 PolarHBondContact O-N 3.29Å
551	N	97.4	Very high	97.3	Very high	14 Å²	14	43.7 Å²	43.7	8%	0.075	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-26.3	164.1	-72.2	-74.9	0	0	0	112.2	E131 N164 L166 Y297 K299 S547 A548 A549	E131-N551 PolarHBondContact OE2-ND2 3.49Å; N164-N551 WeakPolarHBondContact O-CB 3.44Å; L166-N551 HydrophobicContact CD2-CB 3.96Å; L166-N551 WeakPolarHBondContact CD2-ND2 3.34Å; Y297-N551 WeakPolarHBondContact OH-CB 3.17Å; Y297-N551 PolarHBondContact OH-OD1 3.21Å; Y297-N551 VanDerWaalsContact OH-OD1 3.04Å; K299-N551 VanDerWaalsContact CD-OD1 3.22Å; K299-N551 WeakPolarHBondContact CD-OD1 3.44Å; K299-N551 VanDerWaalsContact CG-OD1 3.23Å; K299-N551 WeakPolarHBondContact CG-OD1 3.37Å; S547-N551 PolarHBondContact O-ND2 3Å; A548-N551 WeakPolarHBondContact O-CB 3.42Å; A548-N551 PolarHBondContact O-N 2.84Å; A548-N551 PolarHBondContact O-ND2 2.68Å; A549-N551 PolarHBondContact O-N 3.46Å
552	A	96.3	Very high	97.3	Very high	14 Å²	14	45.1 Å²	45.1	12%	0.116	24%	0.242	C	C	.	.	S	Bend	trans	-76.1	141.2	177.7	0	0	0	0	0	111.2	Q163 N164 H165 A549	Q163-A552 VanDerWaalsContact O-CB 3.3Å; Q163-A552 WeakPolarHBondContact O-CB 3.48Å; N164-A552 PolarHBondContact O-N 3.12Å; H165-A552 HydrophobicContact CB-CB 4.33Å; A549-A552 PolarHBondContact O-N 3.1Å
553	P	92.9	Very high	97.2	Very high	63 Å²	63	53.8 Å²	53.8	41%	0.409	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-63.5	148.5	174.2	27.9	-34.3	0	0	0	111	H165 K555	H165-P553 VanDerWaalsContact CD2-CD 3.45Å; H165-P553 WeakPolarHBondContact CD2-CD 3.27Å; H165-P553 WeakPolarHBondContact NE2-CD 3.32Å; P553-K555 PolarHBondContact O-N 2.73Å
554	T	91.5	Very high	97	Very high	58 Å²	58	61.5 Å²	61.5	36%	0.356	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-63.6	136.7	176.3	-59.5	0	0	0	0	110.8	E302 N396	E302-T554 WeakPolarHBondContact OE2-CB 3.38Å; E302-T554 PolarHBondContact OE2-N 3.02Å; E302-T554 VanDerWaalsContact OE2-N 3.11Å; E302-T554 PolarHBondContact OE2-OG1 2.93Å; N396-T554 HydrophobicContact CB-CG2 4.21Å; N396-T554 WeakPolarHBondContact ND2-CG2 3.19Å; N396-T554 PolarHBondContact ND2-OG1 3.31Å; N396-T554 WeakPolarHBondContact OD1-CG2 3.28Å
555	K	94.4	Very high	96.9	Very high	120 Å²	120	62.6 Å²	62.6	52%	0.522	32%	0.317	S	S	.	.			trans	-114.3	129.9	173.3	-68	-177.6	-176.1	-178.3	0	109.5	N434 P553 T557	N434-K555 HydrophobicContact CB-CB 3.91Å; N434-K555 WeakPolarHBondContact CB-O 3.48Å; P553-K555 PolarHBondContact O-N 2.73Å; K555-T557 PolarHBondContact O-N 2.98Å
556	K	95.3	Very high	96.8	Very high	163 Å²	163	65.8 Å²	65.8	71%	0.709	33%	0.334	S	S	*	.			trans	-63.3	133.6	174.7	-171.3	175	-179	176.8	0	109.9	N434	N434-K556 PolarHBondContact ND2-O 3.49Å
557	T	98	Very high	96.8	Very high	19 Å²	19	69.5 Å²	69.5	12%	0.117	35%	0.352	C	S	.	.			trans	-79.6	132.5	173.1	-63.7	0	0	0	0	110.4	C393 C432 N434 K555 F559	C393-T557 HydrophobicContact CB-CG2 4.07Å; C393-T557 PolarHBondContact SG-OG1 2.98Å; C432-T557 WeakPolarHBondContact O-CG2 3.25Å; N434-T557 PolarHBondContact N-OG1 3.29Å; K555-T557 PolarHBondContact O-N 2.98Å; T557-F559 HydrophobicContact CG2-CD1 4.04Å; T557-F559 HydrophobicContact CG2-CD2 3.99Å; T557-F559 HydrophobicContact CG2-CE1 3.67Å; T557-F559 HydrophobicContact CG2-CE2 3.63Å; T557-F559 HydrophobicContact CG2-CG 4.18Å; T557-F559 HydrophobicContact CG2-CZ 3.46Å; T557-F559 VanDerWaalsContact CG2-CZ 3.46Å
558	H	97.4	Very high	96.7	Very high	136 Å²	136	72.8 Å²	72.8	63%	0.63	37%	0.367	S	S	*	.			trans	-121.7	109.3	168.7	-68.6	-85.5	0	0	0	108
559	F	98.3	Very high	96.5	Very high	63 Å²	63	77.4 Å²	77.4	28%	0.276	39%	0.39	S	S	.	.			trans	-75.5	144.8	179.5	-65.5	-73.8	0	0	0	111.5	I389 E390 C393 A429 C432 T557 F562	I389-F559 HydrophobicContact CG2-CE1 4.45Å; E390-F559 HydrophobicContact CB-CE2 4.33Å; E390-F559 HydrophobicContact CB-CZ 4.37Å; E390-F559 HydrophobicContact CG-CD2 4.47Å; E390-F559 HydrophobicContact CG-CE1 4.49Å; E390-F559 HydrophobicContact CG-CE2 3.84Å; E390-F559 HydrophobicContact CG-CZ 3.86Å; C393-F559 HydrophobicContact CB-CE2 4.31Å; C393-F559 HydrophobicContact CB-CZ 3.88Å; A429-F559 HydrophobicContact CB-CE1 4.13Å; C432-F559 HydrophobicContact CB-CD1 3.67Å; C432-F559 HydrophobicContact CB-CE1 4.26Å; C432-F559 HydrophobicContact CB-CG 4.43Å; T557-F559 HydrophobicContact CG2-CD1 4.04Å; T557-F559 HydrophobicContact CG2-CD2 3.99Å; T557-F559 HydrophobicContact CG2-CE1 3.67Å; T557-F559 HydrophobicContact CG2-CE2 3.63Å; T557-F559 HydrophobicContact CG2-CG 4.18Å; T557-F559 HydrophobicContact CG2-CZ 3.46Å; T557-F559 VanDerWaalsContact CG2-CZ 3.46Å; F559-F562 HydrophobicContact CB-CD2 4.49Å; F559-F562 HydrophobicContact CB-CE2 3.57Å; F559-F562 HydrophobicContact CB-CZ 4.06Å; F559-F562 HydrophobicContact CD1-CE2 4.21Å; F559-F562 AromaticContact CD1-CZ 3.85Å; F559-F562 HydrophobicContact CD1-CZ 3.85Å; F559-F562 HydrophobicContact CD2-CE2 4.4Å; F559-F562 AromaticContact CG-CE2 3.82Å; F559-F562 HydrophobicContact CG-CE2 3.82Å; F559-F562 AromaticContact CG-CZ 3.94Å; F559-F562 HydrophobicContact CG-CZ 3.94Å
560	G	97.6	Very high	96.4	Very high	38 Å²	38	82.4 Å²	82.4	39%	0.392	42%	0.415	S	S	.	.			trans	-68.3	-176.5	164.9	0	0	0	0	0	112.2	C432 F562	C432-G560 PolarHBondContact SG-N 2.88Å; C432-G560 VanDerWaalsContact SG-N 3.37Å; G560-F562 PolarHBondContact O-N 2.75Å
561	V	98.3	Very high	96.3	Very high	140 Å²	140	87.3 Å²	87.3	85%	0.848	44%	0.44	S	S	*	.			trans	-70.5	120.7	179.7	-178.8	0	0	0	0	110.3
562	F	98.3	Very high	96.2	Very high	44 Å²	44	92.9 Å²	92.9	19%	0.193	47%	0.468	C	S	.	.			trans	-77.8	129.6	170.1	-71.7	-81.5	0	0	0	110.9	T386 E390 K425 T428 A429 F559 G560 M564	T386-F562 HydrophobicContact CG2-CD1 4.16Å; T386-F562 HydrophobicContact CG2-CE1 3.5Å; T386-F562 HydrophobicContact CG2-CZ 4.11Å; E390-F562 HydrophobicContact CG-CZ 4.48Å; K425-F562 HydrophobicContact CB-CD1 3.93Å; K425-F562 HydrophobicContact CB-CE1 4.4Å; K425-F562 HydrophobicContact CG-CD1 4.09Å; K425-F562 WeakPolarHBondContact O-CE1 3.36Å; T428-F562 HydrophobicContact CG2-CD1 4.46Å; T428-F562 HydrophobicContact CG2-CE1 4.27Å; A429-F562 HydrophobicContact CB-CE1 4.18Å; A429-F562 HydrophobicContact CB-CZ 4.26Å; F559-F562 HydrophobicContact CB-CD2 4.49Å; F559-F562 HydrophobicContact CB-CE2 3.57Å; F559-F562 HydrophobicContact CB-CZ 4.06Å; F559-F562 HydrophobicContact CD1-CE2 4.21Å; F559-F562 AromaticContact CD1-CZ 3.85Å; F559-F562 HydrophobicContact CD1-CZ 3.85Å; F559-F562 HydrophobicContact CD2-CE2 4.4Å; F559-F562 AromaticContact CG-CE2 3.82Å; F559-F562 HydrophobicContact CG-CE2 3.82Å; F559-F562 AromaticContact CG-CZ 3.94Å; F559-F562 HydrophobicContact CG-CZ 3.94Å; G560-F562 PolarHBondContact O-N 2.75Å; F562-M564 HydrophobicContact CB-SD 4.15Å; F562-M564 PolarHBondContact O-N 2.85Å
563	R	97.4	Very high	96.2	Very high	182 Å²	182	99.5 Å²	99.5	69%	0.687	50%	0.497	S	S	*	.			trans	-82	104.1	174	-176.9	174.3	-68	-97.2	-2.6	109.6	K421 K425	K421-R563 HydrophobicContact CB-CG 3.96Å; K425-R563 WeakPolarHBondContact CE-O 3.47Å; K425-R563 PolarHBondContact NZ-O 3.01Å
564	M	95.6	Very high	96.6	Very high	168 Å²	168	102.8 Å²	102.8	83%	0.828	51%	0.505	S	S	*	.			trans	-76.7	0	-171.8	-63.9	-55.1	-71	0	0	114.7	K421 K425 F562	K421-M564 WeakPolarHBondContact CE-OXT 3.43Å; K421-M564 PolarHBondContact NZ-O 2.96Å; K421-M564 PolarHBondContact NZ-OXT 3.36Å; K425-M564 PolarHBondContact NZ-OXT 2.94Å; F562-M564 HydrophobicContact CB-SD 4.15Å; F562-M564 PolarHBondContact O-N 2.85Å

Retrieved 564 of 564 residues in 1096.3 ms (Link to these results)

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