A0A3B3V6Y8_9TELE Loading...

Medium-chain specific acyl-CoA dehydrogenase, mitochondrial

Medium-chain specific acyl-CoA dehydrogenase is one of the acyl-CoA dehydrogenases that catalyze the first step of mitochondrial fatty acid beta-oxidation, an aerobic process breaking down fatty acids into acetyl-CoA and allowing the production of energy from fats. The first step of fatty acid beta-oxidation consists in the removal of one hydrogen from C-2 and C-3 of the straight-chain fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Electron transfer flavoprotein (ETF) is the electron acceptor that transfers electrons to the main mitochondrial respiratory chain via ETF-ubiquinone oxidoreductase (ETF dehydrogenase). Among the different mitochondrial acyl-CoA dehydrogenases, medium-chain specific acyl-CoA dehydrogenase acts specifically on acyl-CoAs with saturated 6 to 12 carbons long primary chains.

AlphaFold DB , UniProt , Accession A0A3B3V6Y8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 422 aa.

Structure Viewer

Loading PAE data...

(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	45.8	Very low	37.1	Very low	222 Å²	222	137.3 Å²	137.3	100%	1.094	70%	0.696	S	S	*	*				0	-27.4	0	-108.5	173.3	160.4	0	0	114.7
2	L	33	Very low	37.2	Very low	145 Å²	145	142.5 Å²	142.5	76%	0.759	70%	0.701	S	S	*	*			trans	-80.1	-32.9	176.7	-107.2	76.2	0	0	0	114.9	N4 K5	L2-N4 PolarHBondContact O-N 3.2Å; L2-K5 PolarHBondContact O-N 3.16Å
3	L	32.6	Very low	37	Very low	150 Å²	150	136.2 Å²	136.2	79%	0.785	68%	0.679	S	S	*	*	H	α-helix	trans	-65	-33.3	-177.8	-97.5	82.3	0	0	0	114.1	K5 V6 F7	L3-K5 VanDerWaalsContact C-N 3.31Å; L3-K5 PolarHBondContact O-N 2.89Å; L3-V6 PolarHBondContact O-N 3.21Å; L3-F7 PolarHBondContact O-N 3.07Å
4	N	36	Very low	36.7	Very low	131 Å²	131	130.4 Å²	130.4	70%	0.701	67%	0.671	S	S	*	*	H	α-helix	trans	-71.8	-20.9	179.2	-86.6	-1.7	0	0	0	113.9	L2 R8	L2-N4 PolarHBondContact O-N 3.2Å; N4-R8 PolarHBondContact O-N 3.44Å
5	K	37.1	Very low	37	Very low	167 Å²	167	130.5 Å²	130.5	73%	0.726	67%	0.671	S	S	*	*	H	α-helix	trans	-79.3	-32.4	175.3	-79.6	-175.1	174.9	-178.7	0	112	L2 L3 A9	L2-K5 PolarHBondContact O-N 3.16Å; L3-K5 VanDerWaalsContact C-N 3.31Å; L3-K5 PolarHBondContact O-N 2.89Å; K5-A9 PolarHBondContact O-N 3.4Å; K5-A9 VanDerWaalsContact O-N 3.15Å
6	V	38.2	Very low	36.8	Very low	104 Å²	104	135.1 Å²	135.1	63%	0.63	68%	0.678	S	S	*	*	H	α-helix	trans	-73	-37.3	179.7	-178.4	0	0	0	0	111.1	L3 A9 S10	L3-V6 PolarHBondContact O-N 3.21Å; V6-A9 PolarHBondContact O-N 3.3Å; V6-S10 PolarHBondContact O-N 3.16Å
7	F	35.8	Very low	36.6	Very low	152 Å²	152	135.9 Å²	135.9	67%	0.667	68%	0.684	S	S	*	*	H	α-helix	trans	-67.9	-37.3	174.4	-123.7	-92.6	0	0	0	113	L3 A9 S10 L11	L3-F7 PolarHBondContact O-N 3.07Å; F7-A9 VanDerWaalsContact C-N 3.3Å; F7-A9 PolarHBondContact O-N 3.26Å; F7-S10 PolarHBondContact O-N 3Å; F7-S10 PolarHBondContact O-OG 2.87Å; F7-L11 HydrophobicContact CD1-CD1 4.43Å; F7-L11 PolarHBondContact O-N 3.35Å
8	R	41.2	Very low	36.8	Very low	201 Å²	201	137.4 Å²	137.4	76%	0.758	69%	0.688	S	S	*	*	H	α-helix	trans	-69.2	-26.3	173.8	-81.4	-176.6	172.1	-173.9	-2.7	113.2	N4 R12	N4-R8 PolarHBondContact O-N 3.44Å; R8-R12 PolarHBondContact O-N 2.78Å
9	A	37	Very low	36.9	Very low	57 Å²	57	135.2 Å²	135.2	47%	0.471	69%	0.687	S	S	.	*	H	α-helix	trans	-75.3	-38.3	176	0	0	0	0	0	112.2	K5 V6 F7 R12 S13	K5-A9 PolarHBondContact O-N 3.4Å; K5-A9 VanDerWaalsContact O-N 3.15Å; V6-A9 PolarHBondContact O-N 3.3Å; F7-A9 VanDerWaalsContact C-N 3.3Å; F7-A9 PolarHBondContact O-N 3.26Å; A9-R12 PolarHBondContact O-N 3.06Å; A9-S13 PolarHBondContact O-N 2.92Å; A9-S13 PolarHBondContact O-OG 3.41Å
10	S	34.2	Very low	37	Very low	65 Å²	65	133.8 Å²	133.8	46%	0.455	69%	0.69	S	S	.	*	H	α-helix	trans	-69.9	-35.8	-179.8	79.3	0	0	0	0	113.1	V6 F7 S13 G14	V6-S10 PolarHBondContact O-N 3.16Å; F7-S10 PolarHBondContact O-N 3Å; F7-S10 PolarHBondContact O-OG 2.87Å; S10-S13 VanDerWaalsContact CA-OG 3.28Å; S10-S13 WeakPolarHBondContact CA-OG 3.25Å; S10-S13 PolarHBondContact O-N 3.14Å; S10-S13 PolarHBondContact O-OG 3.5Å; S10-G14 PolarHBondContact O-N 3.09Å; S10-G14 VanDerWaalsContact O-N 3.13Å
11	L	37.8	Very low	36.9	Very low	116 Å²	116	129.1 Å²	129.1	61%	0.607	67%	0.674	S	S	*	*	H	α-helix	trans	-68.2	-35.5	173	-87.1	148.1	0	0	0	112.5	F7	F7-L11 HydrophobicContact CD1-CD1 4.43Å; F7-L11 PolarHBondContact O-N 3.35Å
12	R	37.5	Very low	36.6	Very low	200 Å²	200	122 Å²	122	76%	0.755	65%	0.652	S	S	*	*	H	α-helix	trans	-72.6	-30.9	173.3	-80.5	-176.3	174	-171.4	-2	113.2	R8 A9 R16	R8-R12 PolarHBondContact O-N 2.78Å; A9-R12 PolarHBondContact O-N 3.06Å; R12-R16 PolarHBondContact O-N 3.27Å
13	S	35	Very low	36.8	Very low	60 Å²	60	119.4 Å²	119.4	42%	0.42	65%	0.651	S	S	.	*	H	α-helix	trans	-74.1	-30.4	175.4	50.4	0	0	0	0	113.3	A9 S10 I15 R16 L17	A9-S13 PolarHBondContact O-N 2.92Å; A9-S13 PolarHBondContact O-OG 3.41Å; S10-S13 VanDerWaalsContact CA-OG 3.28Å; S10-S13 WeakPolarHBondContact CA-OG 3.25Å; S10-S13 PolarHBondContact O-N 3.14Å; S10-S13 PolarHBondContact O-OG 3.5Å; S13-I15 VanDerWaalsContact C-N 3.26Å; S13-I15 PolarHBondContact O-N 3.26Å; S13-R16 PolarHBondContact O-N 3.16Å; S13-L17 PolarHBondContact O-N 3.11Å
14	G	33.3	Very low	36.8	Very low	55 Å²	55	115.3 Å²	115.3	57%	0.567	64%	0.639	S	S	*	*	H	α-helix	trans	-62.7	-32.9	172.9	0	0	0	0	0	113	S10	S10-G14 PolarHBondContact O-N 3.09Å; S10-G14 VanDerWaalsContact O-N 3.13Å
15	I	40.2	Very low	36.9	Very low	132 Å²	132	112 Å²	112	68%	0.677	63%	0.629	S	S	*	*	H	α-helix	trans	-82.6	-25.6	176.9	-63	170.4	0	0	0	111.6	S13	S13-I15 VanDerWaalsContact C-N 3.26Å; S13-I15 PolarHBondContact O-N 3.26Å
16	R	34	Very low	36.8	Very low	204 Å²	204	107.7 Å²	107.7	77%	0.77	63%	0.625	S	S	*	*	H	α-helix	trans	-80.7	-12	-179	-116.4	179.4	-176.2	-170.6	-0.5	115.2	R12 S13 Q18 S19	R12-R16 PolarHBondContact O-N 3.27Å; S13-R16 PolarHBondContact O-N 3.16Å; R16-Q18 VanDerWaalsContact C-N 3.25Å; R16-Q18 PolarHBondContact O-N 2.9Å; R16-S19 PolarHBondContact O-OG 3.47Å
17	L	33.8	Very low	36.6	Very low	149 Å²	149	106.1 Å²	106.1	78%	0.78	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	2.8	174.4	-99.2	131.5	0	0	0	114.2	S13	S13-L17 PolarHBondContact O-N 3.11Å
18	Q	39.8	Very low	36.5	Very low	164 Å²	164	102.6 Å²	102.6	77%	0.766	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	5.4	170.1	-75.4	-176.4	-19	0	0	114.1	R16 S20 G21	R16-Q18 VanDerWaalsContact C-N 3.25Å; R16-Q18 PolarHBondContact O-N 2.9Å; Q18-S20 VanDerWaalsContact C-N 3.29Å; Q18-S20 PolarHBondContact O-N 2.9Å; Q18-G21 PolarHBondContact O-N 3.14Å
19	S	39.1	Very low	36.4	Very low	94 Å²	94	97.7 Å²	97.7	66%	0.657	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	3.4	-177.3	72.4	0	0	0	0	115.4	R16	R16-S19 PolarHBondContact O-OG 3.47Å
20	S	37.9	Very low	36.5	Very low	107 Å²	107	99.4 Å²	99.4	75%	0.748	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-2.5	168.8	54.2	0	0	0	0	113.5	Q18	Q18-S20 VanDerWaalsContact C-N 3.29Å; Q18-S20 PolarHBondContact O-N 2.9Å
21	G	35.1	Very low	36.8	Very low	36 Å²	36	106.8 Å²	106.8	37%	0.371	65%	0.645	S	S	.	*	S	Bend	trans	-88.7	-13.8	177.1	0	0	0	0	0	115	Q18 A23 A24 A25	Q18-G21 PolarHBondContact O-N 3.14Å; G21-A23 VanDerWaalsContact C-N 3.31Å; G21-A23 PolarHBondContact O-N 3.19Å; G21-A24 CarbonylContact O-C 3.52Å; G21-A24 PolarHBondContact O-N 3.27Å; G21-A25 WeakPolarHBondContact O-CB 3.19Å; G21-A25 PolarHBondContact O-N 3.42Å
22	A	40.8	Very low	37.2	Very low	74 Å²	74	110.1 Å²	110.1	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-66.5	-27.9	-170.5	0	0	0	0	0	114.1
23	A	35.9	Very low	37.9	Very low	90 Å²	90	105.3 Å²	105.3	74%	0.744	66%	0.66	S	S	*	*	H	α-helix	trans	-80.3	-24.2	173.1	0	0	0	0	0	113	G21	G21-A23 VanDerWaalsContact C-N 3.31Å; G21-A23 PolarHBondContact O-N 3.19Å
24	A	34	Very low	38.9	Very low	64 Å²	64	105.5 Å²	105.5	53%	0.529	67%	0.671	S	S	.	*	H	α-helix	trans	-85.6	-28.4	174.5	0	0	0	0	0	112.4	G21 A26 A27 A28	G21-A24 CarbonylContact O-C 3.52Å; G21-A24 PolarHBondContact O-N 3.27Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 2.94Å; A24-A27 PolarHBondContact O-N 3.31Å; A24-A27 VanDerWaalsContact O-N 3.17Å; A24-A28 PolarHBondContact O-N 3.07Å; A24-A28 VanDerWaalsContact O-N 3.07Å
25	A	36.8	Very low	40.1	Very low	60 Å²	60	107.1 Å²	107.1	50%	0.496	68%	0.679	S	S	.	*	H	α-helix	trans	-68.5	-30.1	175.6	0	0	0	0	0	112.7	G21 A27 S29	G21-A25 WeakPolarHBondContact O-CB 3.19Å; G21-A25 PolarHBondContact O-N 3.42Å; A25-A27 PolarHBondContact O-N 3.39Å; A25-S29 PolarHBondContact O-N 3.19Å
26	A	35.2	Very low	41.7	Very low	78 Å²	78	107.6 Å²	107.6	65%	0.645	69%	0.691	S	S	*	*	H	α-helix	trans	-70.3	-18.8	172.3	0	0	0	0	0	113.5	A24	A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 2.94Å
27	A	34.4	Very low	44.3	Very low	71 Å²	71	101.1 Å²	101.1	59%	0.587	69%	0.687	S	S	*	*	H	α-helix	trans	-98.7	-21.2	177.1	0	0	0	0	0	113.1	A24 A25 S30	A24-A27 PolarHBondContact O-N 3.31Å; A24-A27 VanDerWaalsContact O-N 3.17Å; A25-A27 PolarHBondContact O-N 3.39Å; A27-S30 PolarHBondContact O-OG 2.98Å
28	A	33.7	Very low	47.2	Very low	77 Å²	77	102.8 Å²	102.8	64%	0.636	69%	0.689	S	S	*	*	H	α-helix	trans	-89.6	-11.5	178.3	0	0	0	0	0	114.2	A24 S30	A24-A28 PolarHBondContact O-N 3.07Å; A24-A28 VanDerWaalsContact O-N 3.07Å; A28-S30 PolarHBondContact O-N 2.83Å; A28-S30 VanDerWaalsContact O-N 3.15Å
29	S	38.2	Very low	49.9	Very low	99 Å²	99	99.2 Å²	99.2	69%	0.692	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	8.4	178.1	69.6	0	0	0	0	114.8	A25	A25-S29 PolarHBondContact O-N 3.19Å
30	S	38.8	Very low	52.6	Low	92 Å²	92	101.9 Å²	101.9	64%	0.643	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	7	-174.8	64.8	0	0	0	0	115.2	A27 A28	A27-S30 PolarHBondContact O-OG 2.98Å; A28-S30 PolarHBondContact O-N 2.83Å; A28-S30 VanDerWaalsContact O-N 3.15Å
31	R	41.3	Very low	55.4	Low	221 Å²	221	103 Å²	103	83%	0.834	68%	0.676	S	S	*	*	S	Bend	trans	-117.9	21.2	-174.5	-72.6	-162	-172.4	-169.3	3.7	117.1
32	H	47.1	Very low	58.4	Low	186 Å²	186	102.7 Å²	102.7	86%	0.861	67%	0.665	S	S	*	*			trans	-139.3	48.4	162.5	-90.3	61.9	0	0	0	110.7	G34	H32-G34 PolarHBondContact O-N 3.26Å
33	A	51.4	Low	61.1	Low	99 Å²	99	102.8 Å²	102.8	82%	0.818	66%	0.658	S	S	*	*			trans	-67.4	88.4	154.1	0	0	0	0	0	106.4
34	G	55.8	Low	64.1	Low	64 Å²	64	103.8 Å²	103.8	66%	0.66	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-49.3	145.3	171.6	0	0	0	0	0	109.5	H32	H32-G34 PolarHBondContact O-N 3.26Å
35	A	59.1	Low	67.1	Low	89 Å²	89	106.1 Å²	106.1	74%	0.736	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-47.2	143.3	177.7	0	0	0	0	0	110.6	G37	A35-G37 PolarHBondContact O-N 2.98Å; A35-G37 VanDerWaalsContact O-N 3.08Å
36	P	74.3	Confident	70	Confident	141 Å²	141	104.5 Å²	104.5	92%	0.916	63%	0.633	S	S	*	*	S	Bend	trans	-56.9	119.5	-179.8	22.9	-32.4	0	0	0	110
37	G	88.6	Confident	73.1	Confident	68 Å²	68	103.6 Å²	103.6	70%	0.701	61%	0.614	S	S	*	*	S	Bend	trans	152.4	-168.2	-177.7	0	0	0	0	0	114.5	A35	A35-G37 PolarHBondContact O-N 2.98Å; A35-G37 VanDerWaalsContact O-N 3.08Å
38	F	94	Very high	76.1	Confident	184 Å²	184	106.3 Å²	106.3	81%	0.807	62%	0.615	S	S	*	*			trans	-70.4	140.2	174.3	-82.4	-104.3	0	0	0	110.8
39	S	95.6	Very high	79.2	Confident	90 Å²	90	104 Å²	104	63%	0.629	59%	0.59	S	S	*	*			trans	-133.4	136.5	170.8	-177.7	0	0	0	0	110.1	E41	S39-E41 PolarHBondContact OG-N 2.85Å; S39-E41 VanDerWaalsContact OG-N 3.12Å
40	F	96.8	Very high	82	Confident	150 Å²	150	101.1 Å²	101.1	66%	0.658	57%	0.566	S	S	*	*			trans	-107.2	2.8	168	-64.6	-85	0	0	0	111.7	M336	F40-M336 HydrophobicContact CE1-CG 4.44Å; F40-M336 HydrophobicContact CE1-SD 4.24Å
41	E	97.3	Very high	84.9	Confident	131 Å²	131	101.5 Å²	101.5	61%	0.612	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-77	124.9	-179.9	-169.2	64.6	-158.7	0	0	109.8	S39 K47	S39-E41 PolarHBondContact OG-N 2.85Å; S39-E41 VanDerWaalsContact OG-N 3.12Å; E41-K47 VanDerWaalsContact OE1-CE 3.32Å; E41-K47 WeakPolarHBondContact OE1-CE 3.47Å; E41-K47 IonicContact OE1-NZ 2.82Å; E41-K47 PolarHBondContact OE1-NZ 3.32Å
42	L	97.9	Very high	87.6	Confident	29 Å²	29	93.2 Å²	93.2	15%	0.152	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-70.1	145.9	171.9	-62.4	-174.5	0	0	0	110.5	Q46 K47 F104 L108	L42-Q46 HydrophobicContact CB-CB 4.01Å; L42-Q46 HydrophobicContact CD2-CB 4.5Å; L42-K47 HydrophobicContact CB-CG 3.9Å; L42-K47 HydrophobicContact CD1-CG 4.49Å; L42-K47 VanDerWaalsContact O-CE 3.31Å; L42-K47 WeakPolarHBondContact O-CE 3.42Å; L42-F104 HydrophobicContact CD2-CE1 3.65Å; L42-F104 HydrophobicContact CD2-CZ 4.13Å; L42-L108 HydrophobicContact CD1-CD1 4.16Å; L42-L108 HydrophobicContact CD1-CD2 4.34Å; L42-L108 HydrophobicContact CD2-CD1 3.96Å; L42-L108 HydrophobicContact CD2-CD2 4.18Å
43	T	97.8	Very high	90.1	Very high	75 Å²	75	84.3 Å²	84.3	46%	0.46	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-65.2	159.2	168.6	71.1	0	0	0	0	110.6	Q45 Q46 K47	T43-Q45 PolarHBondContact O-N 3.08Å; T43-Q46 WeakPolarHBondContact O-CB 3.31Å; T43-Q46 PolarHBondContact O-N 3.14Å; T43-Q46 VanDerWaalsContact O-N 3.08Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.43Å; T43-Q46 VanDerWaalsContact OG1-CG 3.3Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.17Å; T43-Q46 PolarHBondContact OG1-N 3.29Å; T43-Q46 VanDerWaalsContact OG1-N 3.14Å; T43-Q46 PolarHBondContact OG1-OE1 3Å; T43-K47 WeakPolarHBondContact O-CG 3.46Å; T43-K47 PolarHBondContact O-N 3.47Å
44	D	97.9	Very high	92.4	Very high	111 Å²	111	83.7 Å²	83.7	59%	0.594	47%	0.465	S	S	*	.	H	α-helix	trans	-59.5	-39.4	177.6	-65.5	-28.8	0	0	0	111.7	Q46 K47 E48	D44-Q46 VanDerWaalsContact C-N 3.35Å; D44-Q46 PolarHBondContact O-N 3.02Å; D44-K47 WeakPolarHBondContact O-CB 3.3Å; D44-K47 PolarHBondContact O-N 3.2Å; D44-K47 IonicContact OD1-NZ 3.23Å; D44-E48 WeakPolarHBondContact O-CG 3.5Å; D44-E48 PolarHBondContact O-N 3.37Å
45	Q	97.1	Very high	94.4	Very high	114 Å²	114	86.8 Å²	86.8	53%	0.533	46%	0.457	S	S	.	.	H	α-helix	trans	-62.1	-40.8	174.6	-170.4	179.6	30.9	0	0	112.3	T43 E48 F49	T43-Q45 PolarHBondContact O-N 3.08Å; Q45-E48 WeakPolarHBondContact O-CB 3.14Å; Q45-E48 PolarHBondContact O-N 3.24Å; Q45-F49 HydrophobicContact CG-CD2 4.14Å; Q45-F49 HydrophobicContact CG-CE2 3.56Å; Q45-F49 HydrophobicContact CG-CZ 4.01Å; Q45-F49 VanDerWaalsContact O-CD2 3.31Å; Q45-F49 WeakPolarHBondContact O-CD2 3.46Å; Q45-F49 PolarHBondContact O-N 3.12Å
46	Q	98.5	Very high	96.3	Very high	26 Å²	26	82.9 Å²	82.9	12%	0.121	42%	0.424	C	S	.	.	H	α-helix	trans	-64.5	-39.8	175.1	-79.8	170.8	-17.9	0	0	112.2	L42 T43 D44 E48 F49 Q50 D105 L108	L42-Q46 HydrophobicContact CB-CB 4.01Å; L42-Q46 HydrophobicContact CD2-CB 4.5Å; T43-Q46 WeakPolarHBondContact O-CB 3.31Å; T43-Q46 PolarHBondContact O-N 3.14Å; T43-Q46 VanDerWaalsContact O-N 3.08Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.43Å; T43-Q46 VanDerWaalsContact OG1-CG 3.3Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.17Å; T43-Q46 PolarHBondContact OG1-N 3.29Å; T43-Q46 VanDerWaalsContact OG1-N 3.14Å; T43-Q46 PolarHBondContact OG1-OE1 3Å; D44-Q46 VanDerWaalsContact C-N 3.35Å; D44-Q46 PolarHBondContact O-N 3.02Å; Q46-E48 VanDerWaalsContact C-N 3.32Å; Q46-F49 PolarHBondContact O-N 3.22Å; Q46-Q50 WeakPolarHBondContact O-CB 3.15Å; Q46-Q50 PolarHBondContact O-N 3.35Å; Q46-D105 WeakPolarHBondContact CG-OD1 3.23Å; Q46-D105 PolarHBondContact NE2-OD1 3.08Å; Q46-L108 HydrophobicContact CB-CD1 3.73Å; Q46-L108 HydrophobicContact CG-CD1 3.87Å
47	K	98.6	Very high	97.5	Very high	58 Å²	58	76.2 Å²	76.2	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-40.3	173.9	-67.8	170.2	-176.9	165.6	0	111.2	E41 L42 T43 D44 Q50 Q51	E41-K47 VanDerWaalsContact OE1-CE 3.32Å; E41-K47 WeakPolarHBondContact OE1-CE 3.47Å; E41-K47 IonicContact OE1-NZ 2.82Å; E41-K47 PolarHBondContact OE1-NZ 3.32Å; L42-K47 HydrophobicContact CB-CG 3.9Å; L42-K47 HydrophobicContact CD1-CG 4.49Å; L42-K47 VanDerWaalsContact O-CE 3.31Å; L42-K47 WeakPolarHBondContact O-CE 3.42Å; T43-K47 WeakPolarHBondContact O-CG 3.46Å; T43-K47 PolarHBondContact O-N 3.47Å; D44-K47 WeakPolarHBondContact O-CB 3.3Å; D44-K47 PolarHBondContact O-N 3.2Å; D44-K47 IonicContact OD1-NZ 3.23Å; K47-Q50 PolarHBondContact O-N 3.19Å; K47-Q51 WeakPolarHBondContact O-CB 2.97Å; K47-Q51 WeakPolarHBondContact O-CG 3.28Å; K47-Q51 PolarHBondContact O-N 3.08Å
48	E	98.4	Very high	98	Very high	129 Å²	129	79 Å²	79	60%	0.603	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-47.5	175.7	-72.9	175.7	-177.2	0	0	112.1	D44 Q45 Q46 Q50 Q51 L52	D44-E48 WeakPolarHBondContact O-CG 3.5Å; D44-E48 PolarHBondContact O-N 3.37Å; Q45-E48 WeakPolarHBondContact O-CB 3.14Å; Q45-E48 PolarHBondContact O-N 3.24Å; Q46-E48 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 2.9Å; E48-Q51 PolarHBondContact O-N 3.31Å; E48-L52 WeakPolarHBondContact O-CB 3.43Å; E48-L52 PolarHBondContact O-N 2.74Å
49	F	98.1	Very high	98.2	Very high	27 Å²	27	76.4 Å²	76.4	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-61.2	-44.5	175.7	-68.9	-43.8	0	0	0	112.1	Q45 Q46 L52 A53 M99 L101 I109	Q45-F49 HydrophobicContact CG-CD2 4.14Å; Q45-F49 HydrophobicContact CG-CE2 3.56Å; Q45-F49 HydrophobicContact CG-CZ 4.01Å; Q45-F49 VanDerWaalsContact O-CD2 3.31Å; Q45-F49 WeakPolarHBondContact O-CD2 3.46Å; Q45-F49 PolarHBondContact O-N 3.12Å; Q46-F49 PolarHBondContact O-N 3.22Å; F49-L52 PolarHBondContact O-N 2.61Å; F49-A53 WeakPolarHBondContact O-CB 3.48Å; F49-A53 PolarHBondContact O-N 3.37Å; F49-M99 HydrophobicContact CD1-CE 4.47Å; F49-M99 HydrophobicContact CE1-CE 3.48Å; F49-M99 VanDerWaalsContact CE1-CE 3.48Å; F49-M99 HydrophobicContact CZ-CE 3.72Å; F49-L101 HydrophobicContact CD2-CD1 4.32Å; F49-L101 HydrophobicContact CE1-CD1 4.44Å; F49-L101 HydrophobicContact CE2-CD1 3.99Å; F49-L101 HydrophobicContact CE2-CD2 3.69Å; F49-L101 HydrophobicContact CZ-CD1 4.07Å; F49-L101 HydrophobicContact CZ-CD2 3.76Å; F49-I109 HydrophobicContact CB-CD1 4.36Å; F49-I109 HydrophobicContact CB-CG1 4.23Å
50	Q	98.6	Very high	98.3	Very high	39 Å²	39	75.1 Å²	75.1	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-47	176.6	-174.4	-175.9	59.7	0	0	111.2	Q46 K47 E48 L52 A53 R54 E112	Q46-Q50 WeakPolarHBondContact O-CB 3.15Å; Q46-Q50 PolarHBondContact O-N 3.35Å; K47-Q50 PolarHBondContact O-N 3.19Å; E48-Q50 PolarHBondContact O-N 2.9Å; Q50-L52 PolarHBondContact O-N 3.38Å; Q50-A53 PolarHBondContact O-N 3.39Å; Q50-R54 VanDerWaalsContact O-CB 3.23Å; Q50-R54 WeakPolarHBondContact O-CB 3.29Å; Q50-R54 PolarHBondContact O-N 3.25Å; Q50-E112 HydrophobicContact CG-CG 3.91Å; Q50-E112 VanDerWaalsContact CG-OE1 3.3Å; Q50-E112 WeakPolarHBondContact CG-OE1 3.42Å; Q50-E112 PolarHBondContact NE2-OE1 3.18Å
51	Q	98.8	Very high	98.4	Very high	100 Å²	100	68 Å²	68	47%	0.467	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-40.3	179.7	-74.1	173.5	27	0	0	112.3	K47 E48 R54 R55	K47-Q51 WeakPolarHBondContact O-CB 2.97Å; K47-Q51 WeakPolarHBondContact O-CG 3.28Å; K47-Q51 PolarHBondContact O-N 3.08Å; E48-Q51 PolarHBondContact O-N 3.31Å; Q51-R54 PolarHBondContact O-N 3.14Å; Q51-R55 WeakPolarHBondContact O-CG 3.39Å; Q51-R55 PolarHBondContact O-N 2.69Å
52	L	98.7	Very high	98.5	Very high	47 Å²	47	64 Å²	64	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-50.6	175.8	178.3	61.7	0	0	0	111	E48 F49 Q50 R54 R55 F56 L85 L87	E48-L52 WeakPolarHBondContact O-CB 3.43Å; E48-L52 PolarHBondContact O-N 2.74Å; F49-L52 PolarHBondContact O-N 2.61Å; Q50-L52 PolarHBondContact O-N 3.38Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.27Å; L52-R55 PolarHBondContact O-N 3.36Å; L52-F56 WeakPolarHBondContact O-CB 3.46Å; L52-F56 PolarHBondContact O-N 3.05Å; L52-L85 HydrophobicContact CD1-CD2 4.42Å; L52-L87 HydrophobicContact CD2-CD2 4.13Å; L52-L87 HydrophobicContact CG-CD2 4.24Å
53	A	98.9	Very high	98.5	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-41.7	178.2	0	0	0	0	0	111.6	F49 Q50 F56 A57 L87 I109 E112	F49-A53 WeakPolarHBondContact O-CB 3.48Å; F49-A53 PolarHBondContact O-N 3.37Å; Q50-A53 PolarHBondContact O-N 3.39Å; A53-F56 PolarHBondContact O-N 2.72Å; A53-A57 WeakPolarHBondContact O-CB 3.28Å; A53-A57 PolarHBondContact O-N 3.46Å; A53-L87 HydrophobicContact CB-CD2 4.13Å; A53-I109 HydrophobicContact CB-CB 4.43Å; A53-I109 HydrophobicContact CB-CG1 4.46Å; A53-I109 HydrophobicContact CB-CG2 4.14Å; A53-E112 HydrophobicContact CB-CB 3.75Å; A53-E112 HydrophobicContact CB-CG 4.22Å
54	R	98.9	Very high	98.6	Very high	86 Å²	86	65.9 Å²	65.9	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-46.9	176.9	-173.7	173.4	-65.3	157.5	3.6	112.8	Q50 Q51 L52 A57 R58 E112	Q50-R54 VanDerWaalsContact O-CB 3.23Å; Q50-R54 WeakPolarHBondContact O-CB 3.29Å; Q50-R54 PolarHBondContact O-N 3.25Å; Q51-R54 PolarHBondContact O-N 3.14Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.27Å; R54-A57 PolarHBondContact O-N 3.41Å; R54-R58 WeakPolarHBondContact O-CB 3.39Å; R54-R58 WeakPolarHBondContact O-CG 3.34Å; R54-R58 PolarHBondContact O-N 3.05Å; R54-E112 HydrophobicContact CB-CG 4.29Å; R54-E112 WeakPolarHBondContact CB-OE2 3.26Å; R54-E112 VanDerWaalsContact CG-OE2 3.26Å; R54-E112 WeakPolarHBondContact CG-OE2 3.48Å; R54-E112 IonicContact CZ-OE1 3.72Å; R54-E112 IonicContact CZ-OE2 2.71Å; R54-E112 IonicContact NE-OE1 3.72Å; R54-E112 PolarHBondContact NE-OE1 2.91Å; R54-E112 IonicContact NE-OE2 3.93Å; R54-E112 PolarHBondContact NE-OE2 2.93Å; R54-E112 IonicContact NH2-OE1 2.65Å; R54-E112 PolarHBondContact NH2-OE1 3.42Å; R54-E112 IonicContact NH2-OE2 3.45Å
55	R	98.8	Very high	98.6	Very high	129 Å²	129	61 Å²	61	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-49.5	176.6	-76.6	-169.1	-59.1	-125.8	-2.3	110.5	Q51 L52 A57 R58 E59	Q51-R55 WeakPolarHBondContact O-CG 3.39Å; Q51-R55 PolarHBondContact O-N 2.69Å; L52-R55 PolarHBondContact O-N 3.36Å; R55-A57 VanDerWaalsContact C-N 3.34Å; R55-A57 PolarHBondContact O-N 3.46Å; R55-R58 PolarHBondContact O-N 3.33Å; R55-E59 VanDerWaalsContact O-CB 3.29Å; R55-E59 WeakPolarHBondContact O-CB 3.29Å; R55-E59 WeakPolarHBondContact O-CG 3.39Å; R55-E59 PolarHBondContact O-N 3.24Å
56	F	98.9	Very high	98.7	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-46.1	177.4	177.1	-107	0	0	0	112.2	L52 A53 R58 E60 M61 I78 K81 A82 L85 L87 L113	L52-F56 WeakPolarHBondContact O-CB 3.46Å; L52-F56 PolarHBondContact O-N 3.05Å; A53-F56 PolarHBondContact O-N 2.72Å; F56-R58 PolarHBondContact O-N 3.22Å; F56-E60 HydrophobicContact CD2-CB 3.77Å; F56-E60 HydrophobicContact CD2-CG 3.64Å; F56-E60 HydrophobicContact CE2-CB 3.69Å; F56-E60 HydrophobicContact CE2-CG 3.88Å; F56-E60 HydrophobicContact CZ-CB 4.42Å; F56-E60 WeakPolarHBondContact O-CA 3.42Å; F56-E60 VanDerWaalsContact O-CB 3.26Å; F56-E60 WeakPolarHBondContact O-CB 3.46Å; F56-E60 PolarHBondContact O-N 3.17Å; F56-M61 HydrophobicContact CD1-CG 4.16Å; F56-M61 HydrophobicContact CD1-SD 3.79Å; F56-M61 HydrophobicContact CE1-CG 3.73Å; F56-M61 HydrophobicContact CE1-SD 3.53Å; F56-M61 VanDerWaalsContact CE1-SD 3.53Å; F56-M61 HydrophobicContact CZ-CG 4.18Å; F56-M61 HydrophobicContact CZ-SD 4.5Å; F56-M61 PolarHBondContact O-N 2.91Å; F56-I78 HydrophobicContact CE1-CG2 4.25Å; F56-I78 HydrophobicContact CZ-CG2 3.83Å; F56-K81 HydrophobicContact CD2-CG 4.42Å; F56-K81 HydrophobicContact CE2-CB 3.96Å; F56-K81 HydrophobicContact CE2-CD 3.97Å; F56-K81 HydrophobicContact CE2-CG 3.73Å; F56-K81 HydrophobicContact CZ-CB 4.41Å; F56-A82 HydrophobicContact CE1-CB 3.84Å; F56-A82 HydrophobicContact CZ-CB 3.9Å; F56-L85 HydrophobicContact CB-CD1 4.2Å; F56-L85 HydrophobicContact CD2-CD1 3.54Å; F56-L85 HydrophobicContact CE2-CD1 4.16Å; F56-L85 HydrophobicContact CG-CD1 3.99Å; F56-L87 HydrophobicContact CB-CD1 3.92Å; F56-L87 HydrophobicContact CD1-CD1 3.75Å; F56-L87 HydrophobicContact CE1-CD1 4.49Å; F56-L87 HydrophobicContact CG-CD1 3.9Å; F56-L113 HydrophobicContact CD1-CD2 3.6Å; F56-L113 HydrophobicContact CE1-CD2 4.01Å
57	A	98.8	Very high	98.7	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	29%	0.291	C	S	.	.	I	π-helix	trans	-57.7	-48	177	0	0	0	0	0	111.8	A53 R54 R55 M61 I62 E112 A116	A53-A57 WeakPolarHBondContact O-CB 3.28Å; A53-A57 PolarHBondContact O-N 3.46Å; R54-A57 PolarHBondContact O-N 3.41Å; R55-A57 VanDerWaalsContact C-N 3.34Å; R55-A57 PolarHBondContact O-N 3.46Å; A57-M61 HydrophobicContact CB-SD 4.42Å; A57-M61 WeakPolarHBondContact O-CB 3.45Å; A57-M61 PolarHBondContact O-N 3.33Å; A57-I62 WeakPolarHBondContact O-CG1 3.34Å; A57-I62 PolarHBondContact O-N 3.19Å; A57-E112 WeakPolarHBondContact CB-O 3.36Å; A57-A116 HydrophobicContact CB-CB 3.82Å; A57-A116 WeakPolarHBondContact O-CB 3.46Å
58	R	98.7	Very high	98.7	Very high	127 Å²	127	57.5 Å²	57.5	48%	0.479	29%	0.285	S	S	.	.	I	π-helix	trans	-74.2	-40	-176.6	-69.5	-179.1	177.2	-151.4	-4.6	113.8	R54 R55 F56 I62	R54-R58 WeakPolarHBondContact O-CB 3.39Å; R54-R58 WeakPolarHBondContact O-CG 3.34Å; R54-R58 PolarHBondContact O-N 3.05Å; R55-R58 PolarHBondContact O-N 3.33Å; F56-R58 PolarHBondContact O-N 3.22Å; R58-I62 HydrophobicContact CG-CD1 4.22Å
59	E	98.8	Very high	98.7	Very high	128 Å²	128	51.8 Å²	51.8	60%	0.598	26%	0.258	S	S	*	.	I	π-helix	trans	-89.7	-29.6	-172	-64.9	173.3	-166.5	0	0	112.7	R55	R55-E59 VanDerWaalsContact O-CB 3.29Å; R55-E59 WeakPolarHBondContact O-CB 3.29Å; R55-E59 WeakPolarHBondContact O-CG 3.39Å; R55-E59 PolarHBondContact O-N 3.24Å
60	E	98.8	Very high	98.8	Very high	63 Å²	63	58 Å²	58	29%	0.294	28%	0.281	S	S	.	.	I	π-helix	trans	-114.9	-38.9	-172	-55.5	-69.2	163.9	0	0	113.1	F56 V64 I78 K81	F56-E60 HydrophobicContact CD2-CB 3.77Å; F56-E60 HydrophobicContact CD2-CG 3.64Å; F56-E60 HydrophobicContact CE2-CB 3.69Å; F56-E60 HydrophobicContact CE2-CG 3.88Å; F56-E60 HydrophobicContact CZ-CB 4.42Å; F56-E60 WeakPolarHBondContact O-CA 3.42Å; F56-E60 VanDerWaalsContact O-CB 3.26Å; F56-E60 WeakPolarHBondContact O-CB 3.46Å; F56-E60 PolarHBondContact O-N 3.17Å; E60-V64 WeakPolarHBondContact O-CG2 3.49Å; E60-I78 HydrophobicContact CB-CD1 4.43Å; E60-I78 WeakPolarHBondContact O-CD1 3.39Å; E60-K81 HydrophobicContact CG-CD 4.31Å; E60-K81 IonicContact OE1-NZ 3.28Å; E60-K81 PolarHBondContact OE1-NZ 3.23Å; E60-K81 IonicContact OE2-NZ 3.15Å; E60-K81 PolarHBondContact OE2-NZ 3.47Å
61	M	98.8	Very high	98.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-89.2	-48.9	-174.3	-62.1	174.9	64.3	0	0	112.8	F56 A57 V64 A65 I78 L113 A116 C117 M120	F56-M61 HydrophobicContact CD1-CG 4.16Å; F56-M61 HydrophobicContact CD1-SD 3.79Å; F56-M61 HydrophobicContact CE1-CG 3.73Å; F56-M61 HydrophobicContact CE1-SD 3.53Å; F56-M61 VanDerWaalsContact CE1-SD 3.53Å; F56-M61 HydrophobicContact CZ-CG 4.18Å; F56-M61 HydrophobicContact CZ-SD 4.5Å; F56-M61 PolarHBondContact O-N 2.91Å; A57-M61 HydrophobicContact CB-SD 4.42Å; A57-M61 WeakPolarHBondContact O-CB 3.45Å; A57-M61 PolarHBondContact O-N 3.33Å; M61-V64 WeakPolarHBondContact O-CG2 3.4Å; M61-V64 PolarHBondContact O-N 2.94Å; M61-A65 WeakPolarHBondContact O-CB 3.45Å; M61-A65 PolarHBondContact O-N 2.86Å; M61-I78 HydrophobicContact CG-CG2 3.77Å; M61-L113 HydrophobicContact CE-CB 4.27Å; M61-L113 WeakPolarHBondContact CE-O 3.4Å; M61-L113 HydrophobicContact SD-CB 4.3Å; M61-L113 HydrophobicContact SD-CD2 3.63Å; M61-A116 HydrophobicContact CB-CB 3.5Å; M61-A116 VanDerWaalsContact CB-CB 3.5Å; M61-A116 HydrophobicContact CE-CB 4.15Å; M61-A116 HydrophobicContact CG-CB 4.47Å; M61-A116 HydrophobicContact SD-CB 4.26Å; M61-C117 HydrophobicContact CE-CB 4.48Å; M61-M120 HydrophobicContact CB-SD 4.03Å; M61-M120 HydrophobicContact CE-CB 3.66Å; M61-M120 HydrophobicContact CE-CG 4.46Å; M61-M120 HydrophobicContact CE-SD 3.98Å; M61-M120 HydrophobicContact CG-SD 4.24Å
62	I	98.8	Very high	98.7	Very high	47 Å²	47	55.3 Å²	55.3	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-54.5	-48.9	-178.4	-72.6	-179.7	0	0	0	112.4	A57 R58 V64 A65 Y115 A116	A57-I62 WeakPolarHBondContact O-CG1 3.34Å; A57-I62 PolarHBondContact O-N 3.19Å; R58-I62 HydrophobicContact CG-CD1 4.22Å; I62-V64 PolarHBondContact O-N 3.4Å; I62-V64 VanDerWaalsContact O-N 3.08Å; I62-A65 PolarHBondContact O-N 2.75Å; I62-Y115 HydrophobicContact CD1-CD1 4.12Å; I62-Y115 HydrophobicContact CD1-CE1 3.9Å; I62-A116 HydrophobicContact CD1-CB 4.42Å; I62-A116 HydrophobicContact CG1-CB 3.56Å
63	P	98.8	Very high	98.8	Very high	94 Å²	94	58.7 Å²	58.7	61%	0.61	29%	0.293	S	S	*	.	H	α-helix	trans	-60.4	-26.1	-174	-26.9	37.3	0	0	0	114.2
64	V	98.8	Very high	98.8	Very high	50 Å²	50	59.7 Å²	59.7	30%	0.303	30%	0.297	S	S	.	.	H	α-helix	trans	-109	-6.9	-176.3	-59.8	0	0	0	0	113.3	E60 M61 I62 A66 A67 Y68 I78 M120	E60-V64 WeakPolarHBondContact O-CG2 3.49Å; M61-V64 WeakPolarHBondContact O-CG2 3.4Å; M61-V64 PolarHBondContact O-N 2.94Å; I62-V64 PolarHBondContact O-N 3.4Å; I62-V64 VanDerWaalsContact O-N 3.08Å; V64-A66 VanDerWaalsContact C-N 3.35Å; V64-A66 PolarHBondContact O-N 3.4Å; V64-A67 PolarHBondContact O-N 3.11Å; V64-A67 VanDerWaalsContact O-N 3.14Å; V64-Y68 HydrophobicContact CB-CD2 3.93Å; V64-Y68 HydrophobicContact CB-CE2 3.97Å; V64-Y68 HydrophobicContact CG2-CD2 3.83Å; V64-Y68 HydrophobicContact CG2-CE2 3.76Å; V64-Y68 WeakPolarHBondContact O-CD2 3.15Å; V64-Y68 PolarHBondContact O-N 3.03Å; V64-Y68 VanDerWaalsContact O-N 3.08Å; V64-I78 HydrophobicContact CG2-CD1 4.05Å; V64-I78 HydrophobicContact CG2-CG1 4.3Å; V64-M120 HydrophobicContact CG2-CE 3.89Å
65	A	98.8	Very high	98.7	Very high	8 Å²	8	55.6 Å²	55.6	7%	0.066	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-42.4	-174.6	0	0	0	0	0	113.7	M61 I62 D69 C117 M120	M61-A65 WeakPolarHBondContact O-CB 3.45Å; M61-A65 PolarHBondContact O-N 2.86Å; I62-A65 PolarHBondContact O-N 2.75Å; A65-D69 PolarHBondContact O-N 2.67Å; A65-C117 HydrophobicContact CB-CB 3.83Å; A65-M120 HydrophobicContact CB-CE 4.47Å
66	A	98.6	Very high	98.7	Very high	49 Å²	49	54 Å²	54	41%	0.405	28%	0.278	S	S	.	.	H	α-helix	trans	-68.7	-37.6	179.4	0	0	0	0	0	112.1	V64 D69 R70	V64-A66 VanDerWaalsContact C-N 3.35Å; V64-A66 PolarHBondContact O-N 3.4Å; A66-D69 PolarHBondContact O-N 2.94Å; A66-R70 WeakPolarHBondContact O-CG 3.22Å; A66-R70 PolarHBondContact O-N 3.42Å
67	A	98.7	Very high	98.7	Very high	48 Å²	48	57.5 Å²	57.5	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-45.7	177.4	0	0	0	0	0	111.2	V64 R70 S71	V64-A67 PolarHBondContact O-N 3.11Å; V64-A67 VanDerWaalsContact O-N 3.14Å; A67-R70 PolarHBondContact O-N 3.41Å; A67-S71 PolarHBondContact O-N 3.05Å; A67-S71 PolarHBondContact O-OG 3.02Å
68	Y	98.9	Very high	98.7	Very high	29 Å²	29	58 Å²	58	11%	0.114	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-35.3	176.6	-84.2	-69.3	0	0	0	113.4	V64 G72 E73 P75 I78 M120 C245	V64-Y68 HydrophobicContact CB-CD2 3.93Å; V64-Y68 HydrophobicContact CB-CE2 3.97Å; V64-Y68 HydrophobicContact CG2-CD2 3.83Å; V64-Y68 HydrophobicContact CG2-CE2 3.76Å; V64-Y68 WeakPolarHBondContact O-CD2 3.15Å; V64-Y68 PolarHBondContact O-N 3.03Å; V64-Y68 VanDerWaalsContact O-N 3.08Å; Y68-G72 WeakPolarHBondContact O-CA 3.5Å; Y68-G72 PolarHBondContact O-N 2.74Å; Y68-E73 HydrophobicContact CD1-CB 4.01Å; Y68-E73 VanDerWaalsContact CD1-O 3.31Å; Y68-E73 WeakPolarHBondContact CD1-O 3.37Å; Y68-E73 HydrophobicContact CE1-CB 4.11Å; Y68-E73 HydrophobicContact CE1-CG 4.17Å; Y68-P75 HydrophobicContact CD1-CB 4.03Å; Y68-P75 HydrophobicContact CD2-CB 4.48Å; Y68-P75 HydrophobicContact CE1-CB 3.82Å; Y68-P75 HydrophobicContact CE2-CB 4.28Å; Y68-P75 HydrophobicContact CG-CB 4.34Å; Y68-I78 HydrophobicContact CE2-CG1 4.34Å; Y68-M120 HydrophobicContact CD2-CE 3.24Å; Y68-M120 HydrophobicContact CE2-CE 3.97Å; Y68-M120 HydrophobicContact CG-CE 3.77Å; Y68-C245 HydrophobicContact CD1-CB 4.41Å; Y68-C245 HydrophobicContact CG-CB 4.48Å; Y68-C245 WeakPolarHBondContact O-CB 3.43Å
69	D	98.8	Very high	98.7	Very high	8 Å²	8	52 Å²	52	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-43.6	173.2	178.8	82.1	0	0	0	111.9	A65 A66 K244 K390 R393	A65-D69 PolarHBondContact O-N 2.67Å; A66-D69 PolarHBondContact O-N 2.94Å; D69-K244 WeakPolarHBondContact O-CB 3.17Å; D69-K244 VanDerWaalsContact O-CD 3.23Å; D69-K244 WeakPolarHBondContact O-CD 3.42Å; D69-K244 IonicContact OD2-NZ 3.7Å; D69-K390 HydrophobicContact CB-CD 3.75Å; D69-K390 HydrophobicContact CB-CG 4.41Å; D69-R393 IonicContact OD1-CZ 3.74Å; D69-R393 IonicContact OD1-NH1 3.41Å; D69-R393 PolarHBondContact OD1-NH1 3.24Å; D69-R393 IonicContact OD1-NH2 3.83Å; D69-R393 IonicContact OD2-CZ 2.78Å; D69-R393 IonicContact OD2-NH1 3.72Å; D69-R393 PolarHBondContact OD2-NH1 3.14Å; D69-R393 IonicContact OD2-NH2 2.61Å; D69-R393 PolarHBondContact OD2-NH2 2.75Å
70	R	98.6	Very high	98.7	Very high	159 Å²	159	50.3 Å²	50.3	60%	0.6	27%	0.273	S	S	*	.	H	α-helix	trans	-66.8	-45.1	178.6	-73.1	-171.3	-64.7	-109.5	4.1	112.7	A66 A67	A66-R70 WeakPolarHBondContact O-CG 3.22Å; A66-R70 PolarHBondContact O-N 3.42Å; A67-R70 PolarHBondContact O-N 3.41Å
71	S	98.6	Very high	98.7	Very high	71 Å²	71	50.7 Å²	50.7	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-78.3	-27.4	-177.6	69.6	0	0	0	0	113	A67 E73	A67-S71 PolarHBondContact O-N 3.05Å; A67-S71 PolarHBondContact O-OG 3.02Å; S71-E73 PolarHBondContact O-N 3.21Å; S71-E73 VanDerWaalsContact OG-CB 3.28Å; S71-E73 WeakPolarHBondContact OG-CB 3.23Å; S71-E73 PolarHBondContact OG-N 2.83Å; S71-E73 VanDerWaalsContact OG-N 3.14Å
72	G	98.5	Very high	98.7	Very high	11 Å²	11	50.7 Å²	50.7	11%	0.113	27%	0.273	C	S	.	.			trans	66.9	11.2	-170	0	0	0	0	0	113.7	Y68 K237 K244	Y68-G72 WeakPolarHBondContact O-CA 3.5Å; Y68-G72 PolarHBondContact O-N 2.74Å; G72-K237 WeakPolarHBondContact O-CE 3.48Å; G72-K237 PolarHBondContact O-NZ 3.18Å; G72-K244 WeakPolarHBondContact CA-O 3.46Å
73	E	98.8	Very high	98.7	Very high	117 Å²	117	51.5 Å²	51.5	55%	0.547	27%	0.273	S	S	.	.			trans	-63.5	145	179	-173.9	177.5	-179.1	0	0	110.9	Y68 S71 C245	Y68-E73 HydrophobicContact CD1-CB 4.01Å; Y68-E73 VanDerWaalsContact CD1-O 3.31Å; Y68-E73 WeakPolarHBondContact CD1-O 3.37Å; Y68-E73 HydrophobicContact CE1-CB 4.11Å; Y68-E73 HydrophobicContact CE1-CG 4.17Å; S71-E73 PolarHBondContact O-N 3.21Å; S71-E73 VanDerWaalsContact OG-CB 3.28Å; S71-E73 WeakPolarHBondContact OG-CB 3.23Å; S71-E73 PolarHBondContact OG-N 2.83Å; S71-E73 VanDerWaalsContact OG-N 3.14Å; E73-C245 WeakPolarHBondContact O-CA 3.29Å; E73-C245 VanDerWaalsContact O-CB 3.24Å; E73-C245 WeakPolarHBondContact O-CB 3.48Å
74	Y	98.9	Very high	98.7	Very high	22 Å²	22	52.7 Å²	52.7	9%	0.086	27%	0.271	C	S	.	.			trans	-76	125.8	178	-168.9	-109.5	0	0	0	110.3	F76 I79 A123 M156 N195 K198 D247	Y74-F76 HydrophobicContact CD1-CB 4.23Å; Y74-F76 PolarHBondContact O-N 2.72Å; Y74-I79 HydrophobicContact CD1-CD1 4.26Å; Y74-I79 HydrophobicContact CE1-CD1 3.49Å; Y74-I79 VanDerWaalsContact CE1-CD1 3.49Å; Y74-I79 HydrophobicContact CE2-CD1 4.21Å; Y74-I79 VanDerWaalsContact CZ-CD1 3.47Å; Y74-A123 HydrophobicContact CE2-CB 3.79Å; Y74-M156 WeakPolarHBondContact OH-CE 3.47Å; Y74-N195 PolarHBondContact OH-OD1 3.34Å; Y74-K198 HydrophobicContact CD1-CD 3.84Å; Y74-K198 HydrophobicContact CD1-CG 3.91Å; Y74-K198 HydrophobicContact CD2-CG 4.09Å; Y74-K198 HydrophobicContact CE1-CB 4.06Å; Y74-K198 HydrophobicContact CE1-CD 4.07Å; Y74-K198 HydrophobicContact CE1-CG 3.74Å; Y74-K198 HydrophobicContact CE2-CG 3.94Å; Y74-K198 HydrophobicContact CG-CD 4.13Å; Y74-K198 HydrophobicContact CG-CG 4.06Å; Y74-D247 HydrophobicContact CD2-CB 3.75Å; Y74-D247 HydrophobicContact CE2-CB 3.89Å
75	P	98.7	Very high	98.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.			trans	-82.4	50.7	-167.6	35.4	-38.4	0	0	0	112.9	Y68 P77 I78 I79 M120 C245	Y68-P75 HydrophobicContact CD1-CB 4.03Å; Y68-P75 HydrophobicContact CD2-CB 4.48Å; Y68-P75 HydrophobicContact CE1-CB 3.82Å; Y68-P75 HydrophobicContact CE2-CB 4.28Å; Y68-P75 HydrophobicContact CG-CB 4.34Å; P75-P77 VanDerWaalsContact C-CD 3.48Å; P75-I78 HydrophobicContact CB-CB 4.3Å; P75-I78 HydrophobicContact CB-CG1 4.49Å; P75-I78 WeakPolarHBondContact O-CB 3.41Å; P75-I78 PolarHBondContact O-N 3.42Å; P75-I78 VanDerWaalsContact O-N 3.09Å; P75-I79 HydrophobicContact CG-CD1 4.13Å; P75-I79 HydrophobicContact CG-CG1 4.46Å; P75-I79 WeakPolarHBondContact O-CG1 3.44Å; P75-I79 PolarHBondContact O-N 3.48Å; P75-M120 HydrophobicContact CB-CE 4.42Å; P75-M120 HydrophobicContact CB-CG 3.87Å; P75-M120 HydrophobicContact CG-CB 4.27Å; P75-M120 HydrophobicContact CG-CG 3.77Å; P75-C245 WeakPolarHBondContact CD-O 3.49Å
76	F	98.7	Very high	98.6	Very high	94 Å²	94	54 Å²	54	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-39.5	-176.7	-173.2	-105.4	0	0	0	114.3	Y74 I78 I79 K80 P154	Y74-F76 HydrophobicContact CD1-CB 4.23Å; Y74-F76 PolarHBondContact O-N 2.72Å; F76-I78 VanDerWaalsContact C-N 3.29Å; F76-I78 PolarHBondContact O-N 3.01Å; F76-I79 PolarHBondContact O-N 2.9Å; F76-K80 HydrophobicContact CE1-CD 4.43Å; F76-K80 WeakPolarHBondContact O-CB 3.4Å; F76-K80 PolarHBondContact O-N 3.26Å; F76-P154 HydrophobicContact CZ-CG 4.24Å
77	P	98.8	Very high	98.6	Very high	81 Å²	81	52 Å²	52	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-58.2	-39.9	175	-26.2	36	0	0	0	113.3	P75 K81	P75-P77 VanDerWaalsContact C-CD 3.48Å; P77-K81 PolarHBondContact O-N 2.86Å; P77-K81 VanDerWaalsContact O-N 3.15Å
78	I	98.8	Very high	98.5	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-46.9	176.5	-62.6	-61.2	0	0	0	110.3	F56 E60 M61 V64 Y68 P75 F76 K80 K81 A82 M120	F56-I78 HydrophobicContact CE1-CG2 4.25Å; F56-I78 HydrophobicContact CZ-CG2 3.83Å; E60-I78 HydrophobicContact CB-CD1 4.43Å; E60-I78 WeakPolarHBondContact O-CD1 3.39Å; M61-I78 HydrophobicContact CG-CG2 3.77Å; V64-I78 HydrophobicContact CG2-CD1 4.05Å; V64-I78 HydrophobicContact CG2-CG1 4.3Å; Y68-I78 HydrophobicContact CE2-CG1 4.34Å; P75-I78 HydrophobicContact CB-CB 4.3Å; P75-I78 HydrophobicContact CB-CG1 4.49Å; P75-I78 WeakPolarHBondContact O-CB 3.41Å; P75-I78 PolarHBondContact O-N 3.42Å; P75-I78 VanDerWaalsContact O-N 3.09Å; F76-I78 VanDerWaalsContact C-N 3.29Å; F76-I78 PolarHBondContact O-N 3.01Å; I78-K80 VanDerWaalsContact C-N 3.33Å; I78-K80 PolarHBondContact O-N 3.41Å; I78-K81 PolarHBondContact O-N 3.31Å; I78-A82 WeakPolarHBondContact O-CB 3.49Å; I78-A82 PolarHBondContact O-N 2.84Å; I78-M120 HydrophobicContact CG1-SD 4.46Å; I78-M120 HydrophobicContact CG2-SD 4.19Å
79	I	98.8	Very high	98.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-44.9	178.8	-67.6	165.4	0	0	0	110.9	Y74 P75 F76 K81 A82 W83 I88 A123 I124 M156	Y74-I79 HydrophobicContact CD1-CD1 4.26Å; Y74-I79 HydrophobicContact CE1-CD1 3.49Å; Y74-I79 VanDerWaalsContact CE1-CD1 3.49Å; Y74-I79 HydrophobicContact CE2-CD1 4.21Å; Y74-I79 VanDerWaalsContact CZ-CD1 3.47Å; P75-I79 HydrophobicContact CG-CD1 4.13Å; P75-I79 HydrophobicContact CG-CG1 4.46Å; P75-I79 WeakPolarHBondContact O-CG1 3.44Å; P75-I79 PolarHBondContact O-N 3.48Å; F76-I79 PolarHBondContact O-N 2.9Å; I79-K81 VanDerWaalsContact C-N 3.35Å; I79-K81 PolarHBondContact O-N 3.26Å; I79-A82 WeakPolarHBondContact O-CB 3.4Å; I79-A82 PolarHBondContact O-N 3.34Å; I79-W83 PolarHBondContact O-N 2.94Å; I79-I88 HydrophobicContact CG2-CD1 4.19Å; I79-A123 HydrophobicContact CD1-CB 3.94Å; I79-I124 HydrophobicContact CG1-CG1 4.11Å; I79-M156 HydrophobicContact CD1-CE 4.35Å; I79-M156 HydrophobicContact CG2-CE 3.98Å; I79-M156 HydrophobicContact CG2-SD 3.6Å; I79-M156 VanDerWaalsContact CG2-SD 3.6Å
80	K	98.8	Very high	98.2	Very high	92 Å²	92	49.2 Å²	49.2	40%	0.4	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-43.7	177.4	180	177.9	175.9	-170.9	0	111.5	F76 I78 W83 E84 P154	F76-K80 HydrophobicContact CE1-CD 4.43Å; F76-K80 WeakPolarHBondContact O-CB 3.4Å; F76-K80 PolarHBondContact O-N 3.26Å; I78-K80 VanDerWaalsContact C-N 3.33Å; I78-K80 PolarHBondContact O-N 3.41Å; K80-W83 WeakPolarHBondContact O-CB 3.36Å; K80-W83 PolarHBondContact O-N 3.31Å; K80-E84 VanDerWaalsContact CE-OE1 3.23Å; K80-E84 WeakPolarHBondContact CE-OE1 3.5Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.04Å; K80-P154 HydrophobicContact CG-CB 4.49Å; K80-P154 HydrophobicContact CG-CG 4.23Å
81	K	98.8	Very high	98	Very high	70 Å²	70	42.3 Å²	42.3	30%	0.304	22%	0.217	S	C	.	.	H	α-helix	trans	-67.2	-39.2	177.3	-169.5	167	176.2	168	0	112	F56 E60 P77 I78 I79 W83 E84 L85	F56-K81 HydrophobicContact CD2-CG 4.42Å; F56-K81 HydrophobicContact CE2-CB 3.96Å; F56-K81 HydrophobicContact CE2-CD 3.97Å; F56-K81 HydrophobicContact CE2-CG 3.73Å; F56-K81 HydrophobicContact CZ-CB 4.41Å; E60-K81 HydrophobicContact CG-CD 4.31Å; E60-K81 IonicContact OE1-NZ 3.28Å; E60-K81 PolarHBondContact OE1-NZ 3.23Å; E60-K81 IonicContact OE2-NZ 3.15Å; E60-K81 PolarHBondContact OE2-NZ 3.47Å; P77-K81 PolarHBondContact O-N 2.86Å; P77-K81 VanDerWaalsContact O-N 3.15Å; I78-K81 PolarHBondContact O-N 3.31Å; I79-K81 VanDerWaalsContact C-N 3.35Å; I79-K81 PolarHBondContact O-N 3.26Å; K81-W83 VanDerWaalsContact C-N 3.26Å; K81-W83 PolarHBondContact O-N 3.31Å; K81-E84 PolarHBondContact O-N 2.61Å; K81-L85 HydrophobicContact CG-CD1 4.38Å; K81-L85 WeakPolarHBondContact O-CG 3.5Å; K81-L85 PolarHBondContact O-N 3.15Å
82	A	98.7	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-39.4	171.8	0	0	0	0	0	111.5	F56 I78 I79 L85 G86 L87 I124	F56-A82 HydrophobicContact CE1-CB 3.84Å; F56-A82 HydrophobicContact CZ-CB 3.9Å; I78-A82 WeakPolarHBondContact O-CB 3.49Å; I78-A82 PolarHBondContact O-N 2.84Å; I79-A82 WeakPolarHBondContact O-CB 3.4Å; I79-A82 PolarHBondContact O-N 3.34Å; A82-L85 PolarHBondContact O-N 2.93Å; A82-G86 PolarHBondContact O-N 3.09Å; A82-L87 HydrophobicContact CB-CB 4.28Å; A82-L87 PolarHBondContact O-N 2.99Å; A82-I124 HydrophobicContact CB-CD1 3.96Å
83	W	98.7	Very high	98	Very high	64 Å²	64	40.1 Å²	40.1	24%	0.242	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-46.2	173.4	-178.6	91.3	0	0	0	113.1	I79 K80 K81 L85 G86 I88 M150 A151 E152 E153 P154	I79-W83 PolarHBondContact O-N 2.94Å; K80-W83 WeakPolarHBondContact O-CB 3.36Å; K80-W83 PolarHBondContact O-N 3.31Å; K81-W83 VanDerWaalsContact C-N 3.26Å; K81-W83 PolarHBondContact O-N 3.31Å; W83-L85 PolarHBondContact O-N 2.84Å; W83-G86 PolarHBondContact O-N 3.44Å; W83-I88 VanDerWaalsContact CA-CG2 3.45Å; W83-I88 HydrophobicContact CB-CG2 3.62Å; W83-I88 HydrophobicContact CG-CG2 4.06Å; W83-M150 PolarHBondContact NE1-O 3.18Å; W83-A151 WeakPolarHBondContact CZ2-O 3.24Å; W83-E152 WeakPolarHBondContact CH2-O 3.26Å; W83-E152 WeakPolarHBondContact CZ2-O 3.48Å; W83-E153 PolarHBondContact NE1-O 3.23Å; W83-P154 HydrophobicContact CB-CB 3.91Å; W83-P154 HydrophobicContact CD2-CB 3.82Å; W83-P154 HydrophobicContact CE3-CB 4.17Å; W83-P154 HydrophobicContact CE3-CG 4.5Å; W83-P154 HydrophobicContact CG-CB 3.7Å
84	E	98.3	Very high	97.9	Very high	119 Å²	119	41.6 Å²	41.6	56%	0.556	21%	0.206	S	C	*	.	H	α-helix	trans	-60.8	-28.7	176.8	-70	170.4	174.1	0	0	112.6	K80 K81	K80-E84 VanDerWaalsContact CE-OE1 3.23Å; K80-E84 WeakPolarHBondContact CE-OE1 3.5Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.04Å; K81-E84 PolarHBondContact O-N 2.61Å
85	L	98	Very high	97.9	Very high	69 Å²	69	47.1 Å²	47.1	36%	0.361	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.8	177.4	-66.1	175	0	0	0	114.2	L52 F56 K81 A82 W83 L87	L52-L85 HydrophobicContact CD1-CD2 4.42Å; F56-L85 HydrophobicContact CB-CD1 4.2Å; F56-L85 HydrophobicContact CD2-CD1 3.54Å; F56-L85 HydrophobicContact CE2-CD1 4.16Å; F56-L85 HydrophobicContact CG-CD1 3.99Å; K81-L85 HydrophobicContact CG-CD1 4.38Å; K81-L85 WeakPolarHBondContact O-CG 3.5Å; K81-L85 PolarHBondContact O-N 3.15Å; A82-L85 PolarHBondContact O-N 2.93Å; W83-L85 PolarHBondContact O-N 2.84Å; L85-L87 HydrophobicContact CB-CD1 4.09Å; L85-L87 HydrophobicContact CB-CG 3.98Å; L85-L87 HydrophobicContact CD1-CD1 4.21Å
86	G	97.1	Very high	97.8	Very high	18 Å²	18	47.9 Å²	47.9	19%	0.186	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	26.9	-176.8	0	0	0	0	0	114.6	A82 W83	A82-G86 PolarHBondContact O-N 3.09Å; W83-G86 PolarHBondContact O-N 3.44Å
87	L	98.1	Very high	97.7	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.243	C	C	.	.			trans	-97.5	9.1	-178.8	-57.7	177.9	0	0	0	113.7	L52 A53 F56 A82 L85 I109 L113	L52-L87 HydrophobicContact CD2-CD2 4.13Å; L52-L87 HydrophobicContact CG-CD2 4.24Å; A53-L87 HydrophobicContact CB-CD2 4.13Å; F56-L87 HydrophobicContact CB-CD1 3.92Å; F56-L87 HydrophobicContact CD1-CD1 3.75Å; F56-L87 HydrophobicContact CE1-CD1 4.49Å; F56-L87 HydrophobicContact CG-CD1 3.9Å; A82-L87 HydrophobicContact CB-CB 4.28Å; A82-L87 PolarHBondContact O-N 2.99Å; L85-L87 HydrophobicContact CB-CD1 4.09Å; L85-L87 HydrophobicContact CB-CG 3.98Å; L85-L87 HydrophobicContact CD1-CD1 4.21Å; L87-I109 HydrophobicContact CB-CG2 4.25Å; L87-I109 HydrophobicContact CD2-CD1 4.43Å; L87-I109 HydrophobicContact CD2-CG1 4.46Å; L87-I109 HydrophobicContact CD2-CG2 4.08Å; L87-L113 HydrophobicContact CD1-CD2 4.41Å
88	I	97.2	Very high	97.6	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.056	23%	0.227	C	C	.	.	S	Bend	trans	-137.3	157.7	176.9	-169.5	172.3	0	0	0	108.7	I79 W83 S90 I124 N127 M156	I79-I88 HydrophobicContact CG2-CD1 4.19Å; W83-I88 VanDerWaalsContact CA-CG2 3.45Å; W83-I88 HydrophobicContact CB-CG2 3.62Å; W83-I88 HydrophobicContact CG-CG2 4.06Å; I88-S90 PolarHBondContact O-N 2.98Å; I88-S90 VanDerWaalsContact O-N 3.15Å; I88-I124 HydrophobicContact CB-CG2 3.89Å; I88-I124 HydrophobicContact CD1-CB 4.23Å; I88-I124 HydrophobicContact CD1-CG1 4.3Å; I88-I124 HydrophobicContact CD1-CG2 3.94Å; I88-I124 HydrophobicContact CG1-CB 4.47Å; I88-I124 HydrophobicContact CG1-CG2 3.67Å; I88-N127 HydrophobicContact CD1-CB 4.38Å; I88-N127 HydrophobicContact CG1-CB 4.37Å; I88-M156 HydrophobicContact CD1-CE 4.05Å; I88-M156 HydrophobicContact CD1-SD 4.45Å
89	N	97.6	Very high	97.4	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.048	24%	0.239	C	C	.	.	S	Bend	trans	59.1	24.6	179.4	-52.2	-28.5	0	0	0	112.9	H91 I92 N127 Q131 M150	N89-H91 PolarHBondContact O-N 3.39Å; N89-H91 VanDerWaalsContact O-N 3.12Å; N89-I92 HydrophobicContact CB-CD1 3.69Å; N89-I92 HydrophobicContact CB-CG1 4.12Å; N89-I92 WeakPolarHBondContact O-CB 3.24Å; N89-I92 WeakPolarHBondContact O-CG1 3.37Å; N89-I92 PolarHBondContact O-N 3.23Å; N89-N127 WeakPolarHBondContact OD1-CB 3.47Å; N89-N127 PolarHBondContact OD1-ND2 2.86Å; N89-Q131 PolarHBondContact OD1-NE2 2.82Å; N89-M150 PolarHBondContact ND2-O 3.21Å
90	S	94.3	Very high	97.3	Very high	8 Å²	8	47.3 Å²	47.3	6%	0.056	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.7	-172	51.4	0	0	0	0	113.3	I88 I92 G100 L101	I88-S90 PolarHBondContact O-N 2.98Å; I88-S90 VanDerWaalsContact O-N 3.15Å; S90-I92 VanDerWaalsContact C-N 3.35Å; S90-I92 PolarHBondContact O-N 3.29Å; S90-G100 PolarHBondContact O-N 2.95Å; S90-L101 PolarHBondContact O-N 2.94Å
91	H	94.9	Very high	97.2	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.9	-179.5	-60.1	-53.5	0	0	0	115.1	N89 P93 L101 I103 A106 M132 I135	N89-H91 PolarHBondContact O-N 3.39Å; N89-H91 VanDerWaalsContact O-N 3.12Å; H91-P93 VanDerWaalsContact O-CD 3.25Å; H91-P93 WeakPolarHBondContact O-CD 3.38Å; H91-P93 VanDerWaalsContact O-N 3.17Å; H91-L101 PolarHBondContact ND1-O 3.03Å; H91-I103 VanDerWaalsContact CE1-CD1 3.42Å; H91-I103 WeakPolarHBondContact CE1-CD1 3.23Å; H91-A106 WeakPolarHBondContact CE1-CB 3.18Å; H91-A106 WeakPolarHBondContact NE2-CB 3.46Å; H91-M132 HydrophobicContact CB-CE 4.45Å; H91-I135 HydrophobicContact CB-CD1 3.82Å
92	I	98.2	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-61.1	123.7	179.9	-64.8	-176.5	0	0	0	108.4	N89 S90 G98 M99 G100 L147 M150	N89-I92 HydrophobicContact CB-CD1 3.69Å; N89-I92 HydrophobicContact CB-CG1 4.12Å; N89-I92 WeakPolarHBondContact O-CB 3.24Å; N89-I92 WeakPolarHBondContact O-CG1 3.37Å; N89-I92 PolarHBondContact O-N 3.23Å; S90-I92 VanDerWaalsContact C-N 3.35Å; S90-I92 PolarHBondContact O-N 3.29Å; I92-G98 CarbonylContact O-C 3.6Å; I92-G98 VanDerWaalsContact O-CA 3.26Å; I92-G98 WeakPolarHBondContact O-CA 3.31Å; I92-M99 PolarHBondContact O-N 3.2Å; I92-G100 WeakPolarHBondContact O-CA 3.45Å; I92-G100 PolarHBondContact O-N 2.85Å; I92-L147 HydrophobicContact CD1-CB 4.19Å; I92-L147 WeakPolarHBondContact CD1-O 3.32Å; I92-L147 HydrophobicContact CG1-CB 4.35Å; I92-L147 HydrophobicContact CG1-CD2 4.5Å; I92-L147 HydrophobicContact CG2-CB 3.94Å; I92-M150 HydrophobicContact CD1-CB 3.72Å
93	P	98.1	Very high	97.2	Very high	35 Å²	35	42.5 Å²	42.5	23%	0.227	24%	0.243	C	C	.	.			trans	-58.2	146.9	179.5	-26	33.3	0	0	0	112.7	H91 Q95 Y96 G98	H91-P93 VanDerWaalsContact O-CD 3.25Å; H91-P93 WeakPolarHBondContact O-CD 3.38Å; H91-P93 VanDerWaalsContact O-N 3.17Å; P93-Q95 HydrophobicContact CB-CG 4.29Å; P93-Q95 PolarHBondContact O-N 3.47Å; P93-Y96 HydrophobicContact CB-CD2 3.79Å; P93-Y96 HydrophobicContact CB-CE2 4.06Å; P93-Y96 HydrophobicContact CG-CD2 3.9Å; P93-Y96 HydrophobicContact CG-CE2 4.02Å; P93-Y96 PolarHBondContact O-N 3.15Å; P93-G98 PolarHBondContact O-N 3.3Å
94	Q	97.5	Very high	97.2	Very high	148 Å²	148	41 Å²	41	69%	0.692	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-56.7	-35.2	-177.5	-67.2	-179.5	-3.3	0	0	113.5	Y96 G97 G98 M99	Q94-Y96 PolarHBondContact O-N 3.41Å; Q94-Y96 VanDerWaalsContact O-N 3.11Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q94-G98 WeakPolarHBondContact CA-O 3.46Å; Q94-M99 WeakPolarHBondContact CG-O 3.24Å; Q94-M99 PolarHBondContact NE2-O 3.04Å; Q94-M99 VanDerWaalsContact NE2-O 3.16Å
95	Q	97.5	Very high	97.2	Very high	139 Å²	139	36.1 Å²	36.1	65%	0.65	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-63.8	-15.3	177.3	69.1	-175.8	6.8	0	0	114.2	P93	P93-Q95 HydrophobicContact CB-CG 4.29Å; P93-Q95 PolarHBondContact O-N 3.47Å
96	Y	98.1	Very high	97.3	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.063	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-109.2	17.5	173.4	-46.8	-61.4	0	0	0	112.5	P93 Q94 E140 K143 K144 L147 G148	P93-Y96 HydrophobicContact CB-CD2 3.79Å; P93-Y96 HydrophobicContact CB-CE2 4.06Å; P93-Y96 HydrophobicContact CG-CD2 3.9Å; P93-Y96 HydrophobicContact CG-CE2 4.02Å; P93-Y96 PolarHBondContact O-N 3.15Å; Q94-Y96 PolarHBondContact O-N 3.41Å; Q94-Y96 VanDerWaalsContact O-N 3.11Å; Y96-E140 WeakPolarHBondContact CE1-OE2 3.49Å; Y96-E140 PolarHBondContact OH-OE1 3.31Å; Y96-E140 VanDerWaalsContact OH-OE1 3.06Å; Y96-E140 PolarHBondContact OH-OE2 3.48Å; Y96-K143 HydrophobicContact CD1-CB 4.18Å; Y96-K143 HydrophobicContact CD2-CB 4.06Å; Y96-K143 HydrophobicContact CE1-CB 3.68Å; Y96-K143 HydrophobicContact CE2-CB 3.55Å; Y96-K143 HydrophobicContact CE2-CD 3.76Å; Y96-K143 HydrophobicContact CE2-CG 4.12Å; Y96-K143 HydrophobicContact CG-CB 4.35Å; Y96-K143 VanDerWaalsContact OH-CD 3.28Å; Y96-K143 WeakPolarHBondContact OH-CD 3.39Å; Y96-K144 HydrophobicContact CD1-CB 4.16Å; Y96-K144 HydrophobicContact CE1-CB 4.32Å; Y96-L147 HydrophobicContact CD2-CD1 4.22Å; Y96-G148 WeakPolarHBondContact O-CA 3.39Å
97	G	96	Very high	97.3	Very high	56 Å²	56	32 Å²	32	58%	0.577	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	2.4	174.5	0	0	0	0	0	115.7	Q94	Q94-G97 PolarHBondContact O-N 3.46Å
98	G	95.9	Very high	97.4	Very high	19 Å²	19	31.9 Å²	31.9	20%	0.196	19%	0.189	C	C	.	.	S	Bend	trans	-88.2	-170.7	176.2	0	0	0	0	0	114.1	I92 P93 Q94	I92-G98 CarbonylContact O-C 3.6Å; I92-G98 VanDerWaalsContact O-CA 3.26Å; I92-G98 WeakPolarHBondContact O-CA 3.31Å; P93-G98 PolarHBondContact O-N 3.3Å; Q94-G98 WeakPolarHBondContact CA-O 3.46Å
99	M	95.6	Very high	97.5	Very high	62 Å²	62	31.5 Å²	31.5	31%	0.305	19%	0.187	S	C	.	.			trans	-90.6	-24.4	-179.1	-65.6	176.8	72.7	0	0	113.3	F49 I92 Q94 L101	F49-M99 HydrophobicContact CD1-CE 4.47Å; F49-M99 HydrophobicContact CE1-CE 3.48Å; F49-M99 VanDerWaalsContact CE1-CE 3.48Å; F49-M99 HydrophobicContact CZ-CE 3.72Å; I92-M99 PolarHBondContact O-N 3.2Å; Q94-M99 WeakPolarHBondContact CG-O 3.24Å; Q94-M99 PolarHBondContact NE2-O 3.04Å; Q94-M99 VanDerWaalsContact NE2-O 3.16Å; M99-L101 VanDerWaalsContact C-N 3.32Å; M99-L101 HydrophobicContact CB-CD2 4.05Å; M99-L101 HydrophobicContact CB-CG 3.77Å; M99-L101 HydrophobicContact CE-CD1 3.94Å; M99-L101 HydrophobicContact CE-CD2 4.22Å; M99-L101 HydrophobicContact CE-CG 4.26Å; M99-L101 HydrophobicContact SD-CD1 4.37Å
100	G	96.3	Very high	97.5	Very high	40 Å²	40	31.4 Å²	31.4	41%	0.412	19%	0.187	S	C	.	.			trans	63.6	35.6	-175.8	0	0	0	0	0	113.1	S90 I92	S90-G100 PolarHBondContact O-N 2.95Å; I92-G100 WeakPolarHBondContact O-CA 3.45Å; I92-G100 PolarHBondContact O-N 2.85Å
101	L	97.4	Very high	97.7	Very high	20 Å²	20	31.6 Å²	31.6	11%	0.105	19%	0.187	C	C	.	.			trans	-71.3	150	179.6	-60.5	-167.2	0	0	0	111.8	F49 S90 H91 M99 D105 I109	F49-L101 HydrophobicContact CD2-CD1 4.32Å; F49-L101 HydrophobicContact CE1-CD1 4.44Å; F49-L101 HydrophobicContact CE2-CD1 3.99Å; F49-L101 HydrophobicContact CE2-CD2 3.69Å; F49-L101 HydrophobicContact CZ-CD1 4.07Å; F49-L101 HydrophobicContact CZ-CD2 3.76Å; S90-L101 PolarHBondContact O-N 2.94Å; H91-L101 PolarHBondContact ND1-O 3.03Å; M99-L101 VanDerWaalsContact C-N 3.32Å; M99-L101 HydrophobicContact CB-CD2 4.05Å; M99-L101 HydrophobicContact CB-CG 3.77Å; M99-L101 HydrophobicContact CE-CD1 3.94Å; M99-L101 HydrophobicContact CE-CD2 4.22Å; M99-L101 HydrophobicContact CE-CG 4.26Å; M99-L101 HydrophobicContact SD-CD1 4.37Å; L101-D105 HydrophobicContact CB-CB 4.01Å; L101-D105 HydrophobicContact CD1-CB 4.22Å; L101-I109 HydrophobicContact CD1-CD1 3.99Å
102	S	98.3	Very high	97.9	Very high	33 Å²	33	31.5 Å²	31.5	23%	0.231	19%	0.186	C	C	.	.			trans	-69.1	165.2	176.9	71.5	0	0	0	0	112.1	F104 D105 A106 D346	S102-F104 PolarHBondContact O-N 3.4Å; S102-D105 WeakPolarHBondContact CB-OD2 3.31Å; S102-D105 PolarHBondContact N-OD2 2.84Å; S102-D105 VanDerWaalsContact N-OD2 3.09Å; S102-D105 PolarHBondContact O-N 3.24Å; S102-D105 PolarHBondContact OG-N 3.4Å; S102-D105 VanDerWaalsContact OG-N 3.11Å; S102-D105 PolarHBondContact OG-OD1 3.47Å; S102-D105 PolarHBondContact OG-OD2 3.46Å; S102-A106 PolarHBondContact O-N 3.33Å; S102-A106 VanDerWaalsContact O-N 3.15Å; S102-D346 WeakPolarHBondContact CB-OD1 3.41Å; S102-D346 WeakPolarHBondContact CB-OD2 3.26Å
103	I	98.6	Very high	98	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-36.1	172.2	-56.5	-52.1	0	0	0	110.1	H91 A106 C107 M132 N280 P283 P284 A342 V345 D346	H91-I103 VanDerWaalsContact CE1-CD1 3.42Å; H91-I103 WeakPolarHBondContact CE1-CD1 3.23Å; I103-A106 PolarHBondContact O-N 3.09Å; I103-C107 PolarHBondContact O-N 3.23Å; I103-C107 PolarHBondContact O-SG 2.76Å; I103-M132 HydrophobicContact CD1-CE 4.15Å; I103-N280 HydrophobicContact CD1-CB 3.96Å; I103-N280 HydrophobicContact CG1-CB 4.46Å; I103-P283 HydrophobicContact CG2-CB 4.1Å; I103-P283 HydrophobicContact CG2-CG 4.18Å; I103-P284 HydrophobicContact CG2-CG 4.31Å; I103-A342 HydrophobicContact CB-CB 4.37Å; I103-A342 HydrophobicContact CG2-CB 3.91Å; I103-V345 HydrophobicContact CB-CG1 3.81Å; I103-V345 HydrophobicContact CG1-CG1 3.64Å; I103-V345 HydrophobicContact CG2-CG1 3.99Å; I103-D346 WeakPolarHBondContact CB-OD1 3.39Å; I103-D346 PolarHBondContact N-OD1 3.5Å; I103-D346 PolarHBondContact N-OD2 3.24Å
104	F	98.8	Very high	98	Very high	32 Å²	32	30 Å²	30	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-48.1	176.5	-163.9	-80.6	0	0	0	112	L42 S102 A106 C107 L108 Q339 A342 W343 D346	L42-F104 HydrophobicContact CD2-CE1 3.65Å; L42-F104 HydrophobicContact CD2-CZ 4.13Å; S102-F104 PolarHBondContact O-N 3.4Å; F104-A106 VanDerWaalsContact C-N 3.32Å; F104-A106 PolarHBondContact O-N 2.98Å; F104-C107 WeakPolarHBondContact O-CB 3.34Å; F104-C107 PolarHBondContact O-N 2.82Å; F104-C107 VanDerWaalsContact O-N 3.16Å; F104-L108 HydrophobicContact CD1-CD1 4.03Å; F104-L108 HydrophobicContact CD1-CG 4.16Å; F104-L108 HydrophobicContact CE1-CD1 3.92Å; F104-L108 HydrophobicContact CE1-CD2 4.1Å; F104-L108 HydrophobicContact CE1-CG 4.09Å; F104-L108 WeakPolarHBondContact O-CG 3.47Å; F104-L108 PolarHBondContact O-N 2.9Å; F104-L108 VanDerWaalsContact O-N 3.12Å; F104-Q339 HydrophobicContact CE2-CB 3.75Å; F104-Q339 HydrophobicContact CE2-CG 3.9Å; F104-Q339 HydrophobicContact CZ-CB 4.27Å; F104-Q339 HydrophobicContact CZ-CG 3.96Å; F104-A342 HydrophobicContact CB-CB 4.12Å; F104-A342 HydrophobicContact CD2-CB 4.1Å; F104-A342 HydrophobicContact CG-CB 4.49Å; F104-W343 HydrophobicContact CD2-CB 4.3Å; F104-D346 VanDerWaalsContact CB-OD2 3.24Å; F104-D346 WeakPolarHBondContact CB-OD2 3.24Å; F104-D346 PolarHBondContact N-OD2 2.86Å
105	D	98.6	Very high	98.1	Very high	16 Å²	16	24.2 Å²	24.2	9%	0.086	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-41.7	178.5	-55.4	-38.2	0	0	0	111.4	Q46 L101 S102 C107 L108 I109	Q46-D105 WeakPolarHBondContact CG-OD1 3.23Å; Q46-D105 PolarHBondContact NE2-OD1 3.08Å; L101-D105 HydrophobicContact CB-CB 4.01Å; L101-D105 HydrophobicContact CD1-CB 4.22Å; S102-D105 WeakPolarHBondContact CB-OD2 3.31Å; S102-D105 PolarHBondContact N-OD2 2.84Å; S102-D105 VanDerWaalsContact N-OD2 3.09Å; S102-D105 PolarHBondContact O-N 3.24Å; S102-D105 PolarHBondContact OG-N 3.4Å; S102-D105 VanDerWaalsContact OG-N 3.11Å; S102-D105 PolarHBondContact OG-OD1 3.47Å; S102-D105 PolarHBondContact OG-OD2 3.46Å; D105-C107 VanDerWaalsContact C-N 3.33Å; D105-C107 PolarHBondContact O-N 3.36Å; D105-L108 PolarHBondContact O-N 3.18Å; D105-I109 PolarHBondContact O-N 2.71Å; D105-I109 VanDerWaalsContact O-N 3.12Å
106	A	98.5	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-33.7	176.8	0	0	0	0	0	113.1	H91 S102 I103 F104 I109 T110	H91-A106 WeakPolarHBondContact CE1-CB 3.18Å; H91-A106 WeakPolarHBondContact NE2-CB 3.46Å; S102-A106 PolarHBondContact O-N 3.33Å; S102-A106 VanDerWaalsContact O-N 3.15Å; I103-A106 PolarHBondContact O-N 3.09Å; F104-A106 VanDerWaalsContact C-N 3.32Å; F104-A106 PolarHBondContact O-N 2.98Å; A106-I109 PolarHBondContact O-N 3.3Å; A106-T110 WeakPolarHBondContact O-CB 3.42Å; A106-T110 PolarHBondContact O-N 2.86Å; A106-T110 PolarHBondContact O-OG1 2.94Å
107	C	98.9	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-41.6	173.1	-68.1	0	0	0	0	111.6	I103 F104 D105 T110 E111 P284 A287 Y338	I103-C107 PolarHBondContact O-N 3.23Å; I103-C107 PolarHBondContact O-SG 2.76Å; F104-C107 WeakPolarHBondContact O-CB 3.34Å; F104-C107 PolarHBondContact O-N 2.82Å; F104-C107 VanDerWaalsContact O-N 3.16Å; D105-C107 VanDerWaalsContact C-N 3.33Å; D105-C107 PolarHBondContact O-N 3.36Å; C107-T110 PolarHBondContact O-N 2.78Å; C107-E111 PolarHBondContact O-N 3.48Å; C107-P284 VanDerWaalsContact SG-N 3.43Å; C107-A287 HydrophobicContact CB-CB 3.89Å; C107-A287 WeakPolarHBondContact O-CB 3.13Å; C107-Y338 HydrophobicContact CB-CD2 3.55Å; C107-Y338 HydrophobicContact CB-CE2 3.5Å
108	L	98.8	Very high	98.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177	-62.6	177.5	0	0	0	111.6	L42 Q46 F104 D105 T110 E112	L42-L108 HydrophobicContact CD1-CD1 4.16Å; L42-L108 HydrophobicContact CD1-CD2 4.34Å; L42-L108 HydrophobicContact CD2-CD1 3.96Å; L42-L108 HydrophobicContact CD2-CD2 4.18Å; Q46-L108 HydrophobicContact CB-CD1 3.73Å; Q46-L108 HydrophobicContact CG-CD1 3.87Å; F104-L108 HydrophobicContact CD1-CD1 4.03Å; F104-L108 HydrophobicContact CD1-CG 4.16Å; F104-L108 HydrophobicContact CE1-CD1 3.92Å; F104-L108 HydrophobicContact CE1-CD2 4.1Å; F104-L108 HydrophobicContact CE1-CG 4.09Å; F104-L108 WeakPolarHBondContact O-CG 3.47Å; F104-L108 PolarHBondContact O-N 2.9Å; F104-L108 VanDerWaalsContact O-N 3.12Å; D105-L108 PolarHBondContact O-N 3.18Å; L108-T110 VanDerWaalsContact C-N 3.35Å; L108-E112 WeakPolarHBondContact O-CG 3.4Å; L108-E112 PolarHBondContact O-N 3.27Å
109	I	98.9	Very high	98.5	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-46.8	175.9	-66.5	167	0	0	0	109.9	F49 A53 L87 L101 D105 A106 E111 E112 L113	F49-I109 HydrophobicContact CB-CD1 4.36Å; F49-I109 HydrophobicContact CB-CG1 4.23Å; A53-I109 HydrophobicContact CB-CB 4.43Å; A53-I109 HydrophobicContact CB-CG1 4.46Å; A53-I109 HydrophobicContact CB-CG2 4.14Å; L87-I109 HydrophobicContact CB-CG2 4.25Å; L87-I109 HydrophobicContact CD2-CD1 4.43Å; L87-I109 HydrophobicContact CD2-CG1 4.46Å; L87-I109 HydrophobicContact CD2-CG2 4.08Å; L101-I109 HydrophobicContact CD1-CD1 3.99Å; D105-I109 PolarHBondContact O-N 2.71Å; D105-I109 VanDerWaalsContact O-N 3.12Å; A106-I109 PolarHBondContact O-N 3.3Å; I109-E111 PolarHBondContact O-N 2.99Å; I109-E112 PolarHBondContact O-N 3.4Å; I109-L113 HydrophobicContact CG2-CD1 3.88Å; I109-L113 HydrophobicContact CG2-CG 4.19Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.11Å
110	T	98.9	Very high	98.6	Very high	6 Å²	6	10.6 Å²	10.6	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-59.6	-43.9	-177.3	-70.3	0	0	0	0	112.6	A106 C107 L108 E112 L113 A114 Q121 P284 A287	A106-T110 WeakPolarHBondContact O-CB 3.42Å; A106-T110 PolarHBondContact O-N 2.86Å; A106-T110 PolarHBondContact O-OG1 2.94Å; C107-T110 PolarHBondContact O-N 2.78Å; L108-T110 VanDerWaalsContact C-N 3.35Å; T110-E112 VanDerWaalsContact C-N 3.33Å; T110-E112 PolarHBondContact O-N 3.1Å; T110-L113 PolarHBondContact O-N 2.95Å; T110-A114 WeakPolarHBondContact O-CB 3.33Å; T110-A114 PolarHBondContact O-N 2.74Å; T110-Q121 HydrophobicContact CG2-CG 4.26Å; T110-P284 WeakPolarHBondContact CG2-O 3.4Å; T110-A287 HydrophobicContact CG2-CB 4.2Å
111	E	98.9	Very high	98.8	Very high	12 Å²	12	8.9 Å²	8.9	6%	0.056	5%	0.047	C	C	.	.	H	α-helix	trans	-58.9	-45.6	178.3	-172.9	177.9	141.4	0	0	111.4	C107 I109 A114 Y115 A287 G291 R335 Y338	C107-E111 PolarHBondContact O-N 3.48Å; I109-E111 PolarHBondContact O-N 2.99Å; E111-A114 PolarHBondContact O-N 2.98Å; E111-Y115 PolarHBondContact O-N 3.17Å; E111-A287 HydrophobicContact CB-CB 4.41Å; E111-G291 WeakPolarHBondContact O-CA 3.39Å; E111-R335 IonicContact OE1-CZ 3.8Å; E111-R335 IonicContact OE1-NE 2.81Å; E111-R335 PolarHBondContact OE1-NE 2.91Å; E111-R335 IonicContact OE1-NH2 2.95Å; E111-R335 PolarHBondContact OE1-NH2 3.02Å; E111-R335 IonicContact OE2-NE 3.36Å; E111-R335 PolarHBondContact OE2-NE 3.5Å; E111-Y338 WeakPolarHBondContact OE2-CE1 3.44Å; E111-Y338 VanDerWaalsContact OE2-CZ 3.27Å; E111-Y338 PolarHBondContact OE2-OH 3.3Å
112	E	98.9	Very high	98.8	Very high	12 Å²	12	8.3 Å²	8.3	6%	0.056	4%	0.044	C	C	.	.	H	α-helix	trans	-66	-41.6	-179.7	-61	-64.5	158.4	0	0	112	Q50 A53 R54 A57 L108 I109 T110 Y115	Q50-E112 HydrophobicContact CG-CG 3.91Å; Q50-E112 VanDerWaalsContact CG-OE1 3.3Å; Q50-E112 WeakPolarHBondContact CG-OE1 3.42Å; Q50-E112 PolarHBondContact NE2-OE1 3.18Å; A53-E112 HydrophobicContact CB-CB 3.75Å; A53-E112 HydrophobicContact CB-CG 4.22Å; R54-E112 HydrophobicContact CB-CG 4.29Å; R54-E112 WeakPolarHBondContact CB-OE2 3.26Å; R54-E112 VanDerWaalsContact CG-OE2 3.26Å; R54-E112 WeakPolarHBondContact CG-OE2 3.48Å; R54-E112 IonicContact CZ-OE1 3.72Å; R54-E112 IonicContact CZ-OE2 2.71Å; R54-E112 IonicContact NE-OE1 3.72Å; R54-E112 PolarHBondContact NE-OE1 2.91Å; R54-E112 IonicContact NE-OE2 3.93Å; R54-E112 PolarHBondContact NE-OE2 2.93Å; R54-E112 IonicContact NH2-OE1 2.65Å; R54-E112 PolarHBondContact NH2-OE1 3.42Å; R54-E112 IonicContact NH2-OE2 3.45Å; A57-E112 WeakPolarHBondContact CB-O 3.36Å; L108-E112 WeakPolarHBondContact O-CG 3.4Å; L108-E112 PolarHBondContact O-N 3.27Å; I109-E112 PolarHBondContact O-N 3.4Å; T110-E112 VanDerWaalsContact C-N 3.33Å; T110-E112 PolarHBondContact O-N 3.1Å; E112-Y115 WeakPolarHBondContact O-CB 3.23Å; E112-Y115 PolarHBondContact O-N 3.12Å
113	L	98.9	Very high	98.8	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-66.1	-39.9	176.1	-61.3	-178.6	0	0	0	111.8	F56 M61 L87 I109 T110 Y115 A116 C117 Q121 I124	F56-L113 HydrophobicContact CD1-CD2 3.6Å; F56-L113 HydrophobicContact CE1-CD2 4.01Å; M61-L113 HydrophobicContact CE-CB 4.27Å; M61-L113 WeakPolarHBondContact CE-O 3.4Å; M61-L113 HydrophobicContact SD-CB 4.3Å; M61-L113 HydrophobicContact SD-CD2 3.63Å; L87-L113 HydrophobicContact CD1-CD2 4.41Å; I109-L113 HydrophobicContact CG2-CD1 3.88Å; I109-L113 HydrophobicContact CG2-CG 4.19Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.11Å; T110-L113 PolarHBondContact O-N 2.95Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-A116 PolarHBondContact O-N 3.42Å; L113-C117 PolarHBondContact O-N 3.38Å; L113-Q121 HydrophobicContact CB-CB 4.04Å; L113-Q121 HydrophobicContact CB-CG 3.86Å; L113-I124 HydrophobicContact CD1-CD1 4.12Å; L113-I124 HydrophobicContact CD1-CG2 4.35Å
114	A	98.9	Very high	98.8	Very high	2 Å²	2	6.6 Å²	6.6	2%	0.017	3%	0.033	C	C	.	.	H	α-helix	trans	-68.1	-33.3	-180	0	0	0	0	0	112.9	T110 E111 A116 C117 T118 Q121 G288	T110-A114 WeakPolarHBondContact O-CB 3.33Å; T110-A114 PolarHBondContact O-N 2.74Å; E111-A114 PolarHBondContact O-N 2.98Å; A114-A116 PolarHBondContact O-N 3.38Å; A114-C117 PolarHBondContact O-N 3.29Å; A114-T118 HydrophobicContact CB-CG2 3.92Å; A114-Q121 HydrophobicContact CB-CB 4.47Å; A114-Q121 HydrophobicContact CB-CG 4.13Å; A114-G288 VanDerWaalsContact CB-O 3.29Å; A114-G288 WeakPolarHBondContact CB-O 3.44Å
115	Y	98.9	Very high	98.8	Very high	27 Å²	27	5.9 Å²	5.9	11%	0.106	3%	0.03	C	C	.	.	H	α-helix	trans	-53.6	-37	171	179.3	-85.8	0	0	0	112.3	I62 E111 E112 L113 G291 Q294 R295 D298	I62-Y115 HydrophobicContact CD1-CD1 4.12Å; I62-Y115 HydrophobicContact CD1-CE1 3.9Å; E111-Y115 PolarHBondContact O-N 3.17Å; E112-Y115 WeakPolarHBondContact O-CB 3.23Å; E112-Y115 PolarHBondContact O-N 3.12Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-G291 WeakPolarHBondContact CA-O 3.34Å; Y115-Q294 HydrophobicContact CD2-CB 4.09Å; Y115-Q294 HydrophobicContact CD2-CG 3.92Å; Y115-Q294 HydrophobicContact CE2-CB 4.48Å; Y115-Q294 HydrophobicContact CE2-CG 3.97Å; Y115-R295 HydrophobicContact CD2-CB 3.74Å; Y115-R295 VanDerWaalsContact CE2-CA 3.46Å; Y115-R295 HydrophobicContact CE2-CB 3.94Å; Y115-R295 HydrophobicContact CG-CB 4.12Å; Y115-R295 WeakPolarHBondContact O-CB 3.45Å; Y115-R295 WeakPolarHBondContact O-CD 3.36Å; Y115-R295 VanDerWaalsContact O-CG 3.24Å; Y115-R295 WeakPolarHBondContact O-CG 3.36Å; Y115-R295 PolarHBondContact O-NH1 3.08Å; Y115-D298 HydrophobicContact CE2-CB 4.3Å; Y115-D298 WeakPolarHBondContact CE2-OD2 3.36Å; Y115-D298 VanDerWaalsContact CZ-OD2 3.27Å; Y115-D298 PolarHBondContact OH-OD2 3.22Å
116	A	98.9	Very high	98.8	Very high	2 Å²	2	5.5 Å²	5.5	2%	0.017	3%	0.029	C	C	.	.	H	α-helix	trans	-77.5	-56.6	176.4	0	0	0	0	0	112.9	A57 M61 I62 L113 A114	A57-A116 HydrophobicContact CB-CB 3.82Å; A57-A116 WeakPolarHBondContact O-CB 3.46Å; M61-A116 HydrophobicContact CB-CB 3.5Å; M61-A116 VanDerWaalsContact CB-CB 3.5Å; M61-A116 HydrophobicContact CE-CB 4.15Å; M61-A116 HydrophobicContact CG-CB 4.47Å; M61-A116 HydrophobicContact SD-CB 4.26Å; I62-A116 HydrophobicContact CD1-CB 4.42Å; I62-A116 HydrophobicContact CG1-CB 3.56Å; L113-A116 PolarHBondContact O-N 3.42Å; A114-A116 PolarHBondContact O-N 3.38Å
117	C	98.9	Very high	98.8	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.014	3%	0.028	C	C	.	.			trans	-163	111.1	-178.2	-174.8	0	0	0	0	111.9	M61 A65 L113 A114 G119 M120 Q121 K390	M61-C117 HydrophobicContact CE-CB 4.48Å; A65-C117 HydrophobicContact CB-CB 3.83Å; L113-C117 PolarHBondContact O-N 3.38Å; A114-C117 PolarHBondContact O-N 3.29Å; C117-G119 PolarHBondContact O-N 3.42Å; C117-M120 HydrophobicContact CB-CB 4.25Å; C117-M120 HydrophobicContact CB-CG 4.1Å; C117-M120 HydrophobicContact CB-SD 3.77Å; C117-M120 PolarHBondContact O-N 2.99Å; C117-Q121 PolarHBondContact O-N 2.96Å; C117-K390 PolarHBondContact SG-NZ 3.15Å; C117-K390 VanDerWaalsContact SG-NZ 3.42Å
118	T	98.9	Very high	98.7	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.012	3%	0.029	C	C	.	.	H	α-helix	trans	-68.9	-20.3	177.9	61.6	0	0	0	0	113.9	A114 T122 Q243 L292 D394 Y398	A114-T118 HydrophobicContact CB-CG2 3.92Å; T118-T122 WeakPolarHBondContact O-CB 3.39Å; T118-T122 PolarHBondContact O-N 2.92Å; T118-T122 PolarHBondContact O-OG1 3.5Å; T118-Q243 PolarHBondContact O-NE2 3.01Å; T118-Q243 PolarHBondContact OG1-NE2 3.18Å; T118-L292 HydrophobicContact CG2-CB 3.77Å; T118-L292 HydrophobicContact CG2-CD1 3.72Å; T118-L292 HydrophobicContact CG2-CG 4.28Å; T118-D394 WeakPolarHBondContact OG1-CB 3.48Å; T118-Y398 VanDerWaalsContact CB-OH 3.31Å; T118-Y398 WeakPolarHBondContact CB-OH 3.28Å; T118-Y398 HydrophobicContact CG2-CE2 4Å; T118-Y398 WeakPolarHBondContact CG2-OH 3.39Å
119	G	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66	-43	171	0	0	0	0	0	112.9	C117 A123	C117-G119 PolarHBondContact O-N 3.42Å; G119-A123 PolarHBondContact O-N 3.39Å
120	M	98.9	Very high	98.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-71.5	-46	174.5	-65.8	166.7	-176.6	0	0	111	M61 V64 A65 Y68 P75 I78 C117 T122 A123 I124	M61-M120 HydrophobicContact CB-SD 4.03Å; M61-M120 HydrophobicContact CE-CB 3.66Å; M61-M120 HydrophobicContact CE-CG 4.46Å; M61-M120 HydrophobicContact CE-SD 3.98Å; M61-M120 HydrophobicContact CG-SD 4.24Å; V64-M120 HydrophobicContact CG2-CE 3.89Å; A65-M120 HydrophobicContact CB-CE 4.47Å; Y68-M120 HydrophobicContact CD2-CE 3.24Å; Y68-M120 HydrophobicContact CE2-CE 3.97Å; Y68-M120 HydrophobicContact CG-CE 3.77Å; P75-M120 HydrophobicContact CB-CE 4.42Å; P75-M120 HydrophobicContact CB-CG 3.87Å; P75-M120 HydrophobicContact CG-CB 4.27Å; P75-M120 HydrophobicContact CG-CG 3.77Å; I78-M120 HydrophobicContact CG1-SD 4.46Å; I78-M120 HydrophobicContact CG2-SD 4.19Å; C117-M120 HydrophobicContact CB-CB 4.25Å; C117-M120 HydrophobicContact CB-CG 4.1Å; C117-M120 HydrophobicContact CB-SD 3.77Å; C117-M120 PolarHBondContact O-N 2.99Å; M120-T122 VanDerWaalsContact C-N 3.29Å; M120-T122 PolarHBondContact O-N 3.25Å; M120-A123 WeakPolarHBondContact O-CB 3.46Å; M120-A123 PolarHBondContact O-N 3.48Å; M120-I124 WeakPolarHBondContact O-CG1 3.28Å; M120-I124 PolarHBondContact O-N 3.26Å; M120-I124 VanDerWaalsContact O-N 3.12Å
121	Q	98.9	Very high	98.7	Very high	3 Å²	3	6.3 Å²	6.3	1%	0.014	3%	0.033	C	C	.	.	H	α-helix	trans	-61.4	-37.1	178.4	179.4	-80.2	-34	0	0	111.7	T110 L113 A114 C117 A123 I124 E125	T110-Q121 HydrophobicContact CG2-CG 4.26Å; L113-Q121 HydrophobicContact CB-CB 4.04Å; L113-Q121 HydrophobicContact CB-CG 3.86Å; A114-Q121 HydrophobicContact CB-CB 4.47Å; A114-Q121 HydrophobicContact CB-CG 4.13Å; C117-Q121 PolarHBondContact O-N 2.96Å; Q121-A123 VanDerWaalsContact C-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.73Å; Q121-I124 WeakPolarHBondContact O-CB 3.47Å; Q121-I124 PolarHBondContact O-N 3.46Å; Q121-E125 VanDerWaalsContact NE2-CB 3.26Å; Q121-E125 WeakPolarHBondContact O-CB 3.38Å; Q121-E125 PolarHBondContact O-N 3.21Å
122	T	98.9	Very high	98.7	Very high	8 Å²	8	6 Å²	6	5%	0.049	3%	0.031	C	C	.	.	H	α-helix	trans	-66.6	-35.5	176.5	-68.4	0	0	0	0	112.2	T118 M120 I124 E125 A126 T194 Q243 Y401	T118-T122 WeakPolarHBondContact O-CB 3.39Å; T118-T122 PolarHBondContact O-N 2.92Å; T118-T122 PolarHBondContact O-OG1 3.5Å; M120-T122 VanDerWaalsContact C-N 3.29Å; M120-T122 PolarHBondContact O-N 3.25Å; T122-I124 VanDerWaalsContact C-N 3.32Å; T122-E125 PolarHBondContact O-N 3.33Å; T122-A126 WeakPolarHBondContact O-CB 3.29Å; T122-A126 PolarHBondContact O-N 2.92Å; T122-T194 HydrophobicContact CG2-CG2 3.93Å; T122-Q243 PolarHBondContact OG1-NE2 3.5Å; T122-Q243 VanDerWaalsContact OG1-NE2 3.1Å; T122-Q243 PolarHBondContact OG1-OE1 3.1Å; T122-Y401 HydrophobicContact CG2-CE2 4.26Å
123	A	98.8	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.8	-38.2	172.9	0	0	0	0	0	111.8	Y74 I79 G119 M120 Q121 M156 N195	Y74-A123 HydrophobicContact CE2-CB 3.79Å; I79-A123 HydrophobicContact CD1-CB 3.94Å; G119-A123 PolarHBondContact O-N 3.39Å; M120-A123 WeakPolarHBondContact O-CB 3.46Å; M120-A123 PolarHBondContact O-N 3.48Å; Q121-A123 VanDerWaalsContact C-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.73Å; A123-M156 WeakPolarHBondContact O-CE 3.46Å; A123-N195 PolarHBondContact O-ND2 2.81Å
124	I	98.6	Very high	98.7	Very high	6 Å²	6	5.3 Å²	5.3	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-66.2	-50.1	174.4	-68.7	171.6	0	0	0	110.5	I79 A82 I88 L113 M120 Q121 T122 A126 N127	I79-I124 HydrophobicContact CG1-CG1 4.11Å; A82-I124 HydrophobicContact CB-CD1 3.96Å; I88-I124 HydrophobicContact CB-CG2 3.89Å; I88-I124 HydrophobicContact CD1-CB 4.23Å; I88-I124 HydrophobicContact CD1-CG1 4.3Å; I88-I124 HydrophobicContact CD1-CG2 3.94Å; I88-I124 HydrophobicContact CG1-CB 4.47Å; I88-I124 HydrophobicContact CG1-CG2 3.67Å; L113-I124 HydrophobicContact CD1-CD1 4.12Å; L113-I124 HydrophobicContact CD1-CG2 4.35Å; M120-I124 WeakPolarHBondContact O-CG1 3.28Å; M120-I124 PolarHBondContact O-N 3.26Å; M120-I124 VanDerWaalsContact O-N 3.12Å; Q121-I124 WeakPolarHBondContact O-CB 3.47Å; Q121-I124 PolarHBondContact O-N 3.46Å; T122-I124 VanDerWaalsContact C-N 3.32Å; I124-A126 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.22Å; I124-N127 WeakPolarHBondContact O-CB 3.47Å; I124-N127 PolarHBondContact O-N 3.22Å
125	E	98.1	Very high	98.6	Very high	17 Å²	17	6.6 Å²	6.6	8%	0.079	3%	0.034	C	C	.	.	H	α-helix	trans	-73.9	-23.8	-172.5	-178.2	56.3	-165.2	0	0	113.8	Q121 T122 N127 S128 L129 P284	Q121-E125 VanDerWaalsContact NE2-CB 3.26Å; Q121-E125 WeakPolarHBondContact O-CB 3.38Å; Q121-E125 PolarHBondContact O-N 3.21Å; T122-E125 PolarHBondContact O-N 3.33Å; E125-N127 PolarHBondContact O-N 3.49Å; E125-N127 VanDerWaalsContact O-N 3.13Å; E125-S128 WeakPolarHBondContact O-CA 3.48Å; E125-S128 WeakPolarHBondContact O-CB 3.18Å; E125-S128 PolarHBondContact O-N 2.96Å; E125-S128 WeakPolarHBondContact OE1-CB 3.49Å; E125-S128 WeakPolarHBondContact OE2-CB 3.49Å; E125-S128 PolarHBondContact OE2-OG 3.21Å; E125-L129 PolarHBondContact O-N 2.77Å; E125-L129 VanDerWaalsContact O-N 3.07Å; E125-P284 VanDerWaalsContact OE1-CB 3.31Å; E125-P284 WeakPolarHBondContact OE1-CB 3.33Å
126	A	98.4	Very high	98.6	Very high	8 Å²	8	9.2 Å²	9.2	7%	0.066	5%	0.05	C	C	.	.	H	α-helix	trans	-59.7	-22.6	171.5	0	0	0	0	0	112.9	T122 I124 G130 T194 N195	T122-A126 WeakPolarHBondContact O-CB 3.29Å; T122-A126 PolarHBondContact O-N 2.92Å; I124-A126 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.22Å; A126-G130 PolarHBondContact O-N 2.9Å; A126-T194 HydrophobicContact CB-CG2 3.46Å; A126-T194 VanDerWaalsContact CB-CG2 3.46Å; A126-N195 WeakPolarHBondContact CB-ND2 3.45Å
127	N	98.6	Very high	98.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.9	-50.1	168.5	-87.3	17.7	0	0	0	111.8	I88 N89 I124 E125 L129 G130 Q131 M150 L155 M156 C157	I88-N127 HydrophobicContact CD1-CB 4.38Å; I88-N127 HydrophobicContact CG1-CB 4.37Å; N89-N127 WeakPolarHBondContact OD1-CB 3.47Å; N89-N127 PolarHBondContact OD1-ND2 2.86Å; I124-N127 WeakPolarHBondContact O-CB 3.47Å; I124-N127 PolarHBondContact O-N 3.22Å; E125-N127 PolarHBondContact O-N 3.49Å; E125-N127 VanDerWaalsContact O-N 3.13Å; N127-L129 PolarHBondContact O-N 3.39Å; N127-G130 PolarHBondContact O-N 2.94Å; N127-G130 VanDerWaalsContact O-N 3.15Å; N127-Q131 VanDerWaalsContact O-CB 3.31Å; N127-Q131 WeakPolarHBondContact O-CB 3.3Å; N127-Q131 VanDerWaalsContact O-CD 3.3Å; N127-Q131 WeakPolarHBondContact O-CG 3.18Å; N127-Q131 PolarHBondContact O-N 3.28Å; N127-M150 WeakPolarHBondContact ND2-CE 3.19Å; N127-L155 PolarHBondContact ND2-O 3.18Å; N127-M156 WeakPolarHBondContact OD1-CA 3.45Å; N127-M156 WeakPolarHBondContact OD1-CE 3.23Å; N127-C157 VanDerWaalsContact CA-SG 3.59Å; N127-C157 PolarHBondContact O-SG 3.3Å; N127-C157 PolarHBondContact OD1-N 3.46Å; N127-C157 PolarHBondContact OD1-O 2.83Å
128	S	97.5	Very high	98.6	Very high	3 Å²	3	10 Å²	10	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-54.5	-43	176	-52.9	0	0	0	0	110.8	E125 Q131 M132	E125-S128 WeakPolarHBondContact O-CA 3.48Å; E125-S128 WeakPolarHBondContact O-CB 3.18Å; E125-S128 PolarHBondContact O-N 2.96Å; E125-S128 WeakPolarHBondContact OE1-CB 3.49Å; E125-S128 WeakPolarHBondContact OE2-CB 3.49Å; E125-S128 PolarHBondContact OE2-OG 3.21Å; S128-Q131 PolarHBondContact O-N 3.41Å; S128-M132 WeakPolarHBondContact O-CB 3.37Å; S128-M132 PolarHBondContact O-N 3.43Å
129	L	98.3	Very high	98.5	Very high	26 Å²	26	13.4 Å²	13.4	14%	0.136	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-44.6	177.5	-176.5	63	0	0	0	113	E125 N127 P133 Y159 T281 E402	E125-L129 PolarHBondContact O-N 2.77Å; E125-L129 VanDerWaalsContact O-N 3.07Å; N127-L129 PolarHBondContact O-N 3.39Å; L129-P133 WeakPolarHBondContact O-CD 3.42Å; L129-Y159 HydrophobicContact CD1-CD1 4.4Å; L129-Y159 HydrophobicContact CD1-CD2 4.37Å; L129-Y159 HydrophobicContact CD1-CG 4.25Å; L129-Y159 HydrophobicContact CD2-CD1 4.14Å; L129-Y159 HydrophobicContact CD2-CG 4.11Å; L129-Y159 HydrophobicContact CG-CD1 4.17Å; L129-Y159 HydrophobicContact CG-CD2 4.19Å; L129-Y159 HydrophobicContact CG-CG 3.77Å; L129-T281 HydrophobicContact CD1-CG2 3.83Å; L129-E402 WeakPolarHBondContact CD2-OE1 3.49Å
130	G	98.6	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69	-35.2	176.2	0	0	0	0	0	113.4	A126 N127 W201	A126-G130 PolarHBondContact O-N 2.9Å; N127-G130 PolarHBondContact O-N 2.94Å; N127-G130 VanDerWaalsContact O-N 3.15Å; G130-W201 VanDerWaalsContact O-CH2 3.27Å; G130-W201 WeakPolarHBondContact O-CH2 3.46Å; G130-W201 WeakPolarHBondContact O-CZ3 3.34Å
131	Q	98.8	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.7	-35.7	-179.7	-71.9	161.3	19.6	0	0	113.3	N89 N127 S128 V134 I135 L147 W201	N89-Q131 PolarHBondContact OD1-NE2 2.82Å; N127-Q131 VanDerWaalsContact O-CB 3.31Å; N127-Q131 WeakPolarHBondContact O-CB 3.3Å; N127-Q131 VanDerWaalsContact O-CD 3.3Å; N127-Q131 WeakPolarHBondContact O-CG 3.18Å; N127-Q131 PolarHBondContact O-N 3.28Å; S128-Q131 PolarHBondContact O-N 3.41Å; Q131-V134 WeakPolarHBondContact O-CA 3.49Å; Q131-V134 WeakPolarHBondContact O-CB 3.31Å; Q131-V134 PolarHBondContact O-N 2.86Å; Q131-I135 HydrophobicContact CB-CD1 4.07Å; Q131-I135 WeakPolarHBondContact O-CG1 3.4Å; Q131-I135 PolarHBondContact O-N 3.47Å; Q131-L147 HydrophobicContact CB-CD2 4Å; Q131-L147 HydrophobicContact CG-CD2 3.9Å; Q131-W201 HydrophobicContact CG-CH2 4.14Å; Q131-W201 HydrophobicContact CG-CZ2 4.02Å
132	M	98.7	Very high	98.5	Very high	5 Å²	5	26 Å²	26	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-44	-171.1	-169	59.9	61.3	0	0	113.8	H91 I103 S128 V134 I135 L136 A277 N280 T281	H91-M132 HydrophobicContact CB-CE 4.45Å; I103-M132 HydrophobicContact CD1-CE 4.15Å; S128-M132 WeakPolarHBondContact O-CB 3.37Å; S128-M132 PolarHBondContact O-N 3.43Å; M132-V134 VanDerWaalsContact C-N 3.28Å; M132-V134 PolarHBondContact O-N 2.85Å; M132-I135 PolarHBondContact O-N 3.46Å; M132-L136 HydrophobicContact CG-CD1 3.88Å; M132-L136 HydrophobicContact CG-CG 4.24Å; M132-L136 WeakPolarHBondContact O-CB 3.4Å; M132-L136 VanDerWaalsContact O-CG 3.31Å; M132-L136 WeakPolarHBondContact O-CG 3.47Å; M132-L136 PolarHBondContact O-N 3.34Å; M132-L136 HydrophobicContact SD-CD1 4.14Å; M132-L136 HydrophobicContact SD-CD2 4.37Å; M132-L136 HydrophobicContact SD-CG 3.99Å; M132-A277 HydrophobicContact CB-CB 4.16Å; M132-A277 HydrophobicContact CG-CB 3.92Å; M132-N280 HydrophobicContact CE-CB 3.61Å; M132-N280 HydrophobicContact CG-CB 3.88Å; M132-N280 HydrophobicContact SD-CB 3.56Å; M132-N280 VanDerWaalsContact SD-CB 3.56Å; M132-T281 HydrophobicContact CB-CG2 4.04Å; M132-T281 HydrophobicContact CG-CG2 4.19Å
133	P	98.8	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54	-41.3	171	-29.9	37.6	0	0	0	114	L129 A137 Y159 F203 L264 I273 A277	L129-P133 WeakPolarHBondContact O-CD 3.42Å; P133-A137 WeakPolarHBondContact O-CA 3.45Å; P133-A137 WeakPolarHBondContact O-CB 3.46Å; P133-A137 PolarHBondContact O-N 3.39Å; P133-Y159 HydrophobicContact CG-CD2 4.03Å; P133-Y159 HydrophobicContact CG-CE2 3.77Å; P133-F203 HydrophobicContact CB-CD2 3.36Å; P133-F203 HydrophobicContact CB-CE2 3.56Å; P133-F203 HydrophobicContact CB-CG 3.95Å; P133-F203 HydrophobicContact CB-CZ 4.3Å; P133-F203 HydrophobicContact CG-CB 4.29Å; P133-F203 HydrophobicContact CG-CD1 4.09Å; P133-F203 HydrophobicContact CG-CD2 3.66Å; P133-F203 HydrophobicContact CG-CE1 4.32Å; P133-F203 HydrophobicContact CG-CE2 3.92Å; P133-F203 HydrophobicContact CG-CG 3.73Å; P133-F203 HydrophobicContact CG-CZ 4.23Å; P133-L264 HydrophobicContact CB-CD1 3.92Å; P133-I273 HydrophobicContact CB-CG2 3.72Å; P133-A277 HydrophobicContact CG-CB 4.17Å
134	V	98.8	Very high	98.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.2	-38.3	-179.7	-174.7	0	0	0	0	111	Q131 M132 G138 K143 L147 W201 I224 L264	Q131-V134 WeakPolarHBondContact O-CA 3.49Å; Q131-V134 WeakPolarHBondContact O-CB 3.31Å; Q131-V134 PolarHBondContact O-N 2.86Å; M132-V134 VanDerWaalsContact C-N 3.28Å; M132-V134 PolarHBondContact O-N 2.85Å; V134-G138 VanDerWaalsContact O-CA 3.25Å; V134-G138 WeakPolarHBondContact O-CA 3.35Å; V134-G138 PolarHBondContact O-N 3.38Å; V134-K143 HydrophobicContact CG1-CG 4.2Å; V134-K143 WeakPolarHBondContact O-CE 3.32Å; V134-L147 HydrophobicContact CB-CD2 4.16Å; V134-L147 HydrophobicContact CG1-CD1 4.39Å; V134-L147 HydrophobicContact CG1-CD2 4.15Å; V134-L147 HydrophobicContact CG1-CG 4.07Å; V134-W201 HydrophobicContact CG2-CH2 4.02Å; V134-W201 HydrophobicContact CG2-CZ3 4.08Å; V134-I224 HydrophobicContact CG1-CD1 4.07Å; V134-I224 HydrophobicContact CG2-CD1 3.69Å; V134-I224 HydrophobicContact CG2-CG1 3.95Å; V134-L264 HydrophobicContact CG2-CD2 4.44Å
135	I	98.5	Very high	98.5	Very high	29 Å²	29	39 Å²	39	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-48.1	174.9	-68.4	168.4	0	0	0	110.4	H91 Q131 M132 K143 L147	H91-I135 HydrophobicContact CB-CD1 3.82Å; Q131-I135 HydrophobicContact CB-CD1 4.07Å; Q131-I135 WeakPolarHBondContact O-CG1 3.4Å; Q131-I135 PolarHBondContact O-N 3.47Å; M132-I135 PolarHBondContact O-N 3.46Å; I135-K143 WeakPolarHBondContact O-CE 3.48Å; I135-K143 PolarHBondContact O-NZ 3.38Å; I135-K143 VanDerWaalsContact O-NZ 3.13Å; I135-L147 HydrophobicContact CG1-CD1 3.7Å; I135-L147 HydrophobicContact CG1-CD2 4.23Å
136	L	97.9	Very high	98.5	Very high	83 Å²	83	38.2 Å²	38.2	44%	0.435	19%	0.186	S	C	.	.	H	α-helix	trans	-75.1	-36	-176.2	-65.5	175.7	0	0	0	113.3	M132	M132-L136 HydrophobicContact CG-CD1 3.88Å; M132-L136 HydrophobicContact CG-CG 4.24Å; M132-L136 WeakPolarHBondContact O-CB 3.4Å; M132-L136 VanDerWaalsContact O-CG 3.31Å; M132-L136 WeakPolarHBondContact O-CG 3.47Å; M132-L136 PolarHBondContact O-N 3.34Å; M132-L136 HydrophobicContact SD-CD1 4.14Å; M132-L136 HydrophobicContact SD-CD2 4.37Å; M132-L136 HydrophobicContact SD-CG 3.99Å
137	A	98.4	Very high	98.5	Very high	11 Å²	11	37.9 Å²	37.9	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-127.4	-8.8	-161.2	0	0	0	0	0	114.2	P133 L264 I265 I273	P133-A137 WeakPolarHBondContact O-CA 3.45Å; P133-A137 WeakPolarHBondContact O-CB 3.46Å; P133-A137 PolarHBondContact O-N 3.39Å; A137-L264 HydrophobicContact CB-CB 4.35Å; A137-I265 HydrophobicContact CB-CD1 3.66Å; A137-I265 HydrophobicContact CB-CG1 3.79Å; A137-I265 WeakPolarHBondContact O-CG1 3.47Å; A137-I273 HydrophobicContact CB-CB 4.43Å; A137-I273 HydrophobicContact CB-CD1 3.76Å; A137-I273 HydrophobicContact CB-CG1 3.72Å; A137-I273 HydrophobicContact CB-CG2 3.85Å
138	G	98.5	Very high	98.5	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	19%	0.186	C	C	.	.			trans	-74.4	145.2	179.3	0	0	0	0	0	112.7	V134 Q142 K143	V134-G138 VanDerWaalsContact O-CA 3.25Å; V134-G138 WeakPolarHBondContact O-CA 3.35Å; V134-G138 PolarHBondContact O-N 3.38Å; G138-Q142 VanDerWaalsContact CA-OE1 3.24Å; G138-K143 WeakPolarHBondContact O-CD 3.47Å; G138-K143 WeakPolarHBondContact O-CE 3.21Å; G138-K143 PolarHBondContact O-NZ 3.39Å
139	N	98.6	Very high	98.6	Very high	75 Å²	75	40.2 Å²	40.2	40%	0.401	19%	0.194	S	C	.	.			trans	-75.4	175.2	165.9	69.9	33.3	0	0	0	111	E141 Q142 K143	N139-E141 PolarHBondContact O-N 3.06Å; N139-E141 PolarHBondContact OD1-N 3.22Å; N139-E141 VanDerWaalsContact OD1-N 3.12Å; N139-Q142 PolarHBondContact O-N 3.25Å; N139-Q142 WeakPolarHBondContact OD1-CB 3.49Å; N139-Q142 VanDerWaalsContact OD1-CG 3.27Å; N139-Q142 WeakPolarHBondContact OD1-CG 3.32Å; N139-Q142 PolarHBondContact OD1-N 3.2Å; N139-K143 WeakPolarHBondContact O-CB 3.42Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 2.94Å
140	E	98.5	Very high	98.6	Very high	112 Å²	112	39 Å²	39	52%	0.523	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-41.6	-177.5	-71.1	-55	133.7	0	0	113.5	Y96 K144	Y96-E140 WeakPolarHBondContact CE1-OE2 3.49Å; Y96-E140 PolarHBondContact OH-OE1 3.31Å; Y96-E140 VanDerWaalsContact OH-OE1 3.06Å; Y96-E140 PolarHBondContact OH-OE2 3.48Å; E140-K144 VanDerWaalsContact O-CB 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 2.91Å
141	E	98.6	Very high	98.5	Very high	150 Å²	150	40.4 Å²	40.4	70%	0.701	20%	0.199	S	C	*	.	H	α-helix	trans	-66.9	-44.3	-179.5	-64.7	-179.7	165.2	0	0	111.4	N139 K145	N139-E141 PolarHBondContact O-N 3.06Å; N139-E141 PolarHBondContact OD1-N 3.22Å; N139-E141 VanDerWaalsContact OD1-N 3.12Å; E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 PolarHBondContact O-N 3.49Å
142	Q	98.8	Very high	98.5	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.028	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-48.8	176.1	-70.9	167.5	-19.7	0	0	111	G138 N139 K145 Y146 I224 E261 V263	G138-Q142 VanDerWaalsContact CA-OE1 3.24Å; N139-Q142 PolarHBondContact O-N 3.25Å; N139-Q142 WeakPolarHBondContact OD1-CB 3.49Å; N139-Q142 VanDerWaalsContact OD1-CG 3.27Å; N139-Q142 WeakPolarHBondContact OD1-CG 3.32Å; N139-Q142 PolarHBondContact OD1-N 3.2Å; Q142-K145 PolarHBondContact O-N 2.98Å; Q142-Y146 HydrophobicContact CB-CD2 4.45Å; Q142-Y146 WeakPolarHBondContact O-CB 3.2Å; Q142-Y146 VanDerWaalsContact O-CD2 3.29Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.23Å; Q142-Y146 PolarHBondContact O-N 2.83Å; Q142-I224 HydrophobicContact CB-CD1 4.1Å; Q142-I224 HydrophobicContact CG-CD1 4.26Å; Q142-E261 PolarHBondContact NE2-O 2.93Å; Q142-V263 PolarHBondContact NE2-O 2.85Å
143	K	98.8	Very high	98.5	Very high	35 Å²	35	52.7 Å²	52.7	15%	0.152	26%	0.256	C	S	.	.	I	π-helix	trans	-62.7	-47.3	179.7	-73.6	170.2	169.7	166.9	0	111.4	Y96 V134 I135 G138 N139 K145 L147 G148	Y96-K143 HydrophobicContact CD1-CB 4.18Å; Y96-K143 HydrophobicContact CD2-CB 4.06Å; Y96-K143 HydrophobicContact CE1-CB 3.68Å; Y96-K143 HydrophobicContact CE2-CB 3.55Å; Y96-K143 HydrophobicContact CE2-CD 3.76Å; Y96-K143 HydrophobicContact CE2-CG 4.12Å; Y96-K143 HydrophobicContact CG-CB 4.35Å; Y96-K143 VanDerWaalsContact OH-CD 3.28Å; Y96-K143 WeakPolarHBondContact OH-CD 3.39Å; V134-K143 HydrophobicContact CG1-CG 4.2Å; V134-K143 WeakPolarHBondContact O-CE 3.32Å; I135-K143 WeakPolarHBondContact O-CE 3.48Å; I135-K143 PolarHBondContact O-NZ 3.38Å; I135-K143 VanDerWaalsContact O-NZ 3.13Å; G138-K143 WeakPolarHBondContact O-CD 3.47Å; G138-K143 WeakPolarHBondContact O-CE 3.21Å; G138-K143 PolarHBondContact O-NZ 3.39Å; N139-K143 WeakPolarHBondContact O-CB 3.42Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 2.94Å; K143-K145 PolarHBondContact O-N 3.38Å; K143-L147 HydrophobicContact CB-CD1 4.09Å; K143-L147 HydrophobicContact CG-CD1 4.05Å; K143-L147 WeakPolarHBondContact O-CA 3.09Å; K143-L147 WeakPolarHBondContact O-CB 3.15Å; K143-L147 PolarHBondContact O-N 3.39Å; K143-G148 PolarHBondContact O-N 3.42Å
144	K	98.6	Very high	98.5	Very high	157 Å²	157	54 Å²	54	68%	0.683	26%	0.264	S	S	*	.	I	π-helix	trans	-59.7	-44.7	176.6	-173.3	178	179.8	-179	0	112	Y96 E140 G148	Y96-K144 HydrophobicContact CD1-CB 4.16Å; Y96-K144 HydrophobicContact CE1-CB 4.32Å; E140-K144 VanDerWaalsContact O-CB 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 2.91Å; K144-G148 WeakPolarHBondContact O-CA 3.36Å; K144-G148 PolarHBondContact O-N 3.33Å
145	K	98.7	Very high	98.5	Very high	94 Å²	94	55.9 Å²	55.9	41%	0.409	27%	0.274	S	S	.	.	I	π-helix	trans	-70.4	-49.2	-177.8	-175.4	-175.5	179.6	-163.5	0	112.9	E141 Q142 K143 R149 D226	E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 PolarHBondContact O-N 3.49Å; Q142-K145 PolarHBondContact O-N 2.98Å; K143-K145 PolarHBondContact O-N 3.38Å; K145-R149 PolarHBondContact O-NE 2.91Å; K145-D226 IonicContact NZ-OD2 3.42Å
146	Y	98.8	Very high	98.5	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.269	C	S	.	.	I	π-helix	trans	-94.6	-32.4	-169.5	-65.7	-78.3	0	0	0	113.6	Q142 R149 M150 W201 I224 D226 N262	Q142-Y146 HydrophobicContact CB-CD2 4.45Å; Q142-Y146 WeakPolarHBondContact O-CB 3.2Å; Q142-Y146 VanDerWaalsContact O-CD2 3.29Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.23Å; Q142-Y146 PolarHBondContact O-N 2.83Å; Y146-R149 WeakPolarHBondContact O-CG 3.45Å; Y146-M150 WeakPolarHBondContact O-CG 3.39Å; Y146-W201 HydrophobicContact CD1-CB 4.32Å; Y146-W201 HydrophobicContact CD1-CD2 4.28Å; Y146-W201 AromaticContact CD1-CG 3.98Å; Y146-W201 HydrophobicContact CD1-CG 3.98Å; Y146-W201 PolarHBondContact O-NE1 3Å; Y146-I224 HydrophobicContact CD1-CG2 3.44Å; Y146-I224 VanDerWaalsContact CD1-CG2 3.44Å; Y146-I224 HydrophobicContact CD2-CB 4.37Å; Y146-I224 HydrophobicContact CD2-CD1 3.38Å; Y146-I224 HydrophobicContact CD2-CG1 4.45Å; Y146-I224 HydrophobicContact CD2-CG2 3.89Å; Y146-I224 HydrophobicContact CE1-CB 4.37Å; Y146-I224 HydrophobicContact CE1-CG2 3.39Å; Y146-I224 HydrophobicContact CE2-CB 4.1Å; Y146-I224 HydrophobicContact CE2-CD1 3.69Å; Y146-I224 HydrophobicContact CE2-CG2 3.84Å; Y146-I224 HydrophobicContact CG-CD1 4Å; Y146-I224 HydrophobicContact CG-CG2 3.71Å; Y146-D226 WeakPolarHBondContact CE1-OD1 3.5Å; Y146-D226 PolarHBondContact OH-OD2 3.3Å; Y146-N262 PolarHBondContact OH-ND2 2.95Å; Y146-N262 PolarHBondContact OH-OD1 3.16Å
147	L	98.8	Very high	98.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-83	-39.7	173.5	-52.3	178.6	0	0	0	110.8	I92 Y96 Q131 V134 I135 K143 R149 M150 A151	I92-L147 HydrophobicContact CD1-CB 4.19Å; I92-L147 WeakPolarHBondContact CD1-O 3.32Å; I92-L147 HydrophobicContact CG1-CB 4.35Å; I92-L147 HydrophobicContact CG1-CD2 4.5Å; I92-L147 HydrophobicContact CG2-CB 3.94Å; Y96-L147 HydrophobicContact CD2-CD1 4.22Å; Q131-L147 HydrophobicContact CB-CD2 4Å; Q131-L147 HydrophobicContact CG-CD2 3.9Å; V134-L147 HydrophobicContact CB-CD2 4.16Å; V134-L147 HydrophobicContact CG1-CD1 4.39Å; V134-L147 HydrophobicContact CG1-CD2 4.15Å; V134-L147 HydrophobicContact CG1-CG 4.07Å; I135-L147 HydrophobicContact CG1-CD1 3.7Å; I135-L147 HydrophobicContact CG1-CD2 4.23Å; K143-L147 HydrophobicContact CB-CD1 4.09Å; K143-L147 HydrophobicContact CG-CD1 4.05Å; K143-L147 WeakPolarHBondContact O-CA 3.09Å; K143-L147 WeakPolarHBondContact O-CB 3.15Å; K143-L147 PolarHBondContact O-N 3.39Å; L147-R149 PolarHBondContact O-N 3.4Å; L147-M150 WeakPolarHBondContact O-CB 3.32Å; L147-M150 PolarHBondContact O-N 3.29Å; L147-A151 PolarHBondContact O-N 2.96Å
148	G	98.5	Very high	98.5	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	24%	0.244	C	C	.	.	H	α-helix	trans	-54.8	-46.8	179.6	0	0	0	0	0	113.3	Y96 K143 K144 M150 A151 E152	Y96-G148 WeakPolarHBondContact O-CA 3.39Å; K143-G148 PolarHBondContact O-N 3.42Å; K144-G148 WeakPolarHBondContact O-CA 3.36Å; K144-G148 PolarHBondContact O-N 3.33Å; G148-M150 PolarHBondContact O-N 3.14Å; G148-M150 VanDerWaalsContact O-N 3.15Å; G148-A151 WeakPolarHBondContact O-CB 3.2Å; G148-A151 PolarHBondContact O-N 3.13Å; G148-E152 WeakPolarHBondContact O-CG 3.23Å; G148-E152 PolarHBondContact O-N 3.27Å; G148-E152 VanDerWaalsContact O-N 3.08Å
149	R	98.4	Very high	98.6	Very high	46 Å²	46	50.9 Å²	50.9	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-26.6	178.3	70.2	174.5	89.1	172	6.8	113.9	K145 Y146 L147 A151 E152 E153 L155 N200 D226	K145-R149 PolarHBondContact O-NE 2.91Å; Y146-R149 WeakPolarHBondContact O-CG 3.45Å; L147-R149 PolarHBondContact O-N 3.4Å; R149-A151 VanDerWaalsContact C-N 3.34Å; R149-E152 PolarHBondContact O-N 2.91Å; R149-E153 PolarHBondContact O-N 2.85Å; R149-E153 VanDerWaalsContact O-N 3.16Å; R149-L155 HydrophobicContact CB-CD1 4.17Å; R149-L155 HydrophobicContact CG-CD1 4.11Å; R149-N200 WeakPolarHBondContact CD-OD1 3.48Å; R149-N200 PolarHBondContact NH1-OD1 3.36Å; R149-D226 IonicContact CZ-OD1 3.95Å; R149-D226 IonicContact NH1-OD1 3.79Å; R149-D226 PolarHBondContact NH1-OD1 3.44Å; R149-D226 IonicContact NH2-OD1 2.81Å; R149-D226 PolarHBondContact NH2-OD1 2.76Å; R149-D226 VanDerWaalsContact NH2-OD1 3.15Å
150	M	98.5	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-77.6	-23.2	177.3	-50.4	-63.3	-72.4	0	0	112.1	W83 N89 I92 N127 Y146 L147 G148 E153 L155 C157 W201	W83-M150 PolarHBondContact NE1-O 3.18Å; N89-M150 PolarHBondContact ND2-O 3.21Å; I92-M150 HydrophobicContact CD1-CB 3.72Å; N127-M150 WeakPolarHBondContact ND2-CE 3.19Å; Y146-M150 WeakPolarHBondContact O-CG 3.39Å; L147-M150 WeakPolarHBondContact O-CB 3.32Å; L147-M150 PolarHBondContact O-N 3.29Å; G148-M150 PolarHBondContact O-N 3.14Å; G148-M150 VanDerWaalsContact O-N 3.15Å; M150-E153 CarbonylContact C-O 3.5Å; M150-E153 VanDerWaalsContact O-O 3.07Å; M150-L155 HydrophobicContact CE-CB 4.25Å; M150-L155 WeakPolarHBondContact CE-O 3.38Å; M150-L155 HydrophobicContact SD-CB 3.74Å; M150-C157 HydrophobicContact CE-CB 3.91Å; M150-W201 HydrophobicContact CG-CZ2 4.4Å; M150-W201 HydrophobicContact SD-CZ2 4.47Å; M150-W201 PolarHBondContact SD-NE1 2.83Å
151	A	97.1	Very high	98.6	Very high	30 Å²	30	42.2 Å²	42.2	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-85.2	-23	172.5	0	0	0	0	0	112.2	W83 L147 G148 R149	W83-A151 WeakPolarHBondContact CZ2-O 3.24Å; L147-A151 PolarHBondContact O-N 2.96Å; G148-A151 WeakPolarHBondContact O-CB 3.2Å; G148-A151 PolarHBondContact O-N 3.13Å; R149-A151 VanDerWaalsContact C-N 3.34Å
152	E	98.1	Very high	98.6	Very high	147 Å²	147	37.3 Å²	37.3	69%	0.687	18%	0.181	S	C	*	.	H	α-helix	trans	-83.7	-36.9	179.5	-70.8	171.9	179.2	0	0	113.1	W83 G148 R149	W83-E152 WeakPolarHBondContact CH2-O 3.26Å; W83-E152 WeakPolarHBondContact CZ2-O 3.48Å; G148-E152 WeakPolarHBondContact O-CG 3.23Å; G148-E152 PolarHBondContact O-N 3.27Å; G148-E152 VanDerWaalsContact O-N 3.08Å; R149-E152 PolarHBondContact O-N 2.91Å
153	E	98.4	Very high	98.6	Very high	116 Å²	116	37.6 Å²	37.6	54%	0.542	18%	0.183	S	C	.	.	S	Bend	trans	-136.7	155.2	-178.5	-69.1	-170.4	-168.5	0	0	111.3	W83 R149 M150 L155	W83-E153 PolarHBondContact NE1-O 3.23Å; R149-E153 PolarHBondContact O-N 2.85Å; R149-E153 VanDerWaalsContact O-N 3.16Å; M150-E153 CarbonylContact C-O 3.5Å; M150-E153 VanDerWaalsContact O-O 3.07Å; E153-L155 HydrophobicContact CB-CD1 4.35Å; E153-L155 HydrophobicContact CB-CG 3.9Å; E153-L155 PolarHBondContact O-N 2.86Å
154	P	98.4	Very high	98.5	Very high	26 Å²	26	39.8 Å²	39.8	17%	0.169	20%	0.2	C	C	.	.			trans	-75.3	52.3	177.6	34.4	-38.5	0	0	0	111.7	F76 K80 W83	F76-P154 HydrophobicContact CZ-CG 4.24Å; K80-P154 HydrophobicContact CG-CB 4.49Å; K80-P154 HydrophobicContact CG-CG 4.23Å; W83-P154 HydrophobicContact CB-CB 3.91Å; W83-P154 HydrophobicContact CD2-CB 3.82Å; W83-P154 HydrophobicContact CE3-CB 4.17Å; W83-P154 HydrophobicContact CE3-CG 4.5Å; W83-P154 HydrophobicContact CG-CB 3.7Å
155	L	98.8	Very high	98.4	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.215	21%	0.207	C	C	.	.			trans	-74.3	154.2	176.8	-64.3	176.3	0	0	0	110.5	N127 R149 M150 E153 N200	N127-L155 PolarHBondContact ND2-O 3.18Å; R149-L155 HydrophobicContact CB-CD1 4.17Å; R149-L155 HydrophobicContact CG-CD1 4.11Å; M150-L155 HydrophobicContact CE-CB 4.25Å; M150-L155 WeakPolarHBondContact CE-O 3.38Å; M150-L155 HydrophobicContact SD-CB 3.74Å; E153-L155 HydrophobicContact CB-CD1 4.35Å; E153-L155 HydrophobicContact CB-CG 3.9Å; E153-L155 PolarHBondContact O-N 2.86Å; L155-N200 HydrophobicContact CB-CB 4.22Å; L155-N200 HydrophobicContact CD1-CB 4.27Å; L155-N200 HydrophobicContact CD2-CB 4.32Å
156	M	98.9	Very high	98.3	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	155.8	174.1	-49.4	-51.1	-69.1	0	0	110.5	Y74 I79 I88 A123 N127 N195 K198 A199 N200	Y74-M156 WeakPolarHBondContact OH-CE 3.47Å; I79-M156 HydrophobicContact CD1-CE 4.35Å; I79-M156 HydrophobicContact CG2-CE 3.98Å; I79-M156 HydrophobicContact CG2-SD 3.6Å; I79-M156 VanDerWaalsContact CG2-SD 3.6Å; I88-M156 HydrophobicContact CD1-CE 4.05Å; I88-M156 HydrophobicContact CD1-SD 4.45Å; A123-M156 WeakPolarHBondContact O-CE 3.46Å; N127-M156 WeakPolarHBondContact OD1-CA 3.45Å; N127-M156 WeakPolarHBondContact OD1-CE 3.23Å; M156-N195 HydrophobicContact CB-CB 4.46Å; M156-N195 WeakPolarHBondContact CE-ND2 3.42Å; M156-K198 HydrophobicContact CB-CB 4.5Å; M156-K198 HydrophobicContact CG-CB 4.47Å; M156-A199 CarbonylContact O-C 3.58Å; M156-A199 WeakPolarHBondContact O-CA 3.34Å; M156-N200 PolarHBondContact O-N 2.98Å
157	C	98.9	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	169.5	167.5	63.7	0	0	0	0	109.9	N127 M150 N195 W201	N127-C157 VanDerWaalsContact CA-SG 3.59Å; N127-C157 PolarHBondContact O-SG 3.3Å; N127-C157 PolarHBondContact OD1-N 3.46Å; N127-C157 PolarHBondContact OD1-O 2.83Å; M150-C157 HydrophobicContact CE-CB 3.91Å; C157-N195 PolarHBondContact O-ND2 3.18Å; C157-W201 VanDerWaalsContact CA-O 3.29Å; C157-W201 WeakPolarHBondContact CA-O 3.49Å; C157-W201 HydrophobicContact CB-CD2 3.7Å; C157-W201 VanDerWaalsContact CB-CE2 3.45Å; C157-W201 HydrophobicContact CB-CE3 4Å; C157-W201 HydrophobicContact CB-CG 4.3Å; C157-W201 HydrophobicContact CB-CH2 3.87Å; C157-W201 HydrophobicContact CB-CZ2 3.56Å; C157-W201 HydrophobicContact CB-CZ3 4.08Å; C157-W201 VanDerWaalsContact CB-O 3.31Å; C157-W201 WeakPolarHBondContact CB-O 3.23Å
158	A	98.9	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.8	-175.7	0	0	0	0	0	112.8	I193 T194 N195 A199 W201 Y202 F203	A158-I193 HydrophobicContact CB-CG2 3.81Å; A158-T194 WeakPolarHBondContact CB-O 3.3Å; A158-N195 HydrophobicContact CB-CB 4.27Å; A158-A199 HydrophobicContact CB-CB 3.79Å; A158-W201 PolarHBondContact N-O 2.96Å; A158-Y202 HydrophobicContact CB-CD1 3.66Å; A158-Y202 HydrophobicContact CB-CE1 3.93Å; A158-Y202 CarbonylContact O-C 3.59Å; A158-Y202 WeakPolarHBondContact O-CA 3.47Å; A158-F203 PolarHBondContact O-N 2.9Å
159	Y	98.9	Very high	97.6	Very high	20 Å²	20	41.2 Å²	41.2	8%	0.078	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.3	-174.9	-178.2	-92.8	0	0	0	110.8	L129 P133 V161 F203 A274 F278	L129-Y159 HydrophobicContact CD1-CD1 4.4Å; L129-Y159 HydrophobicContact CD1-CD2 4.37Å; L129-Y159 HydrophobicContact CD1-CG 4.25Å; L129-Y159 HydrophobicContact CD2-CD1 4.14Å; L129-Y159 HydrophobicContact CD2-CG 4.11Å; L129-Y159 HydrophobicContact CG-CD1 4.17Å; L129-Y159 HydrophobicContact CG-CD2 4.19Å; L129-Y159 HydrophobicContact CG-CG 3.77Å; P133-Y159 HydrophobicContact CG-CD2 4.03Å; P133-Y159 HydrophobicContact CG-CE2 3.77Å; Y159-V161 HydrophobicContact CD1-CB 4.14Å; Y159-V161 HydrophobicContact CD1-CG2 3.76Å; Y159-V161 HydrophobicContact CE1-CB 3.59Å; Y159-V161 HydrophobicContact CE1-CG1 4.48Å; Y159-V161 HydrophobicContact CE1-CG2 3.08Å; Y159-V161 HydrophobicContact CE2-CG2 4.12Å; Y159-V161 PolarHBondContact O-N 3.41Å; Y159-V161 WeakPolarHBondContact OH-CG2 3.39Å; Y159-F203 HydrophobicContact CD2-CB 4.17Å; Y159-F203 AromaticContact CD2-CD1 3.15Å; Y159-F203 HydrophobicContact CD2-CD1 3.15Å; Y159-F203 AromaticContact CD2-CE1 3.73Å; Y159-F203 HydrophobicContact CD2-CE1 3.73Å; Y159-F203 AromaticContact CD2-CG 3.91Å; Y159-F203 HydrophobicContact CD2-CG 3.91Å; Y159-F203 AromaticContact CE2-CD1 3.15Å; Y159-F203 HydrophobicContact CE2-CD1 3.15Å; Y159-F203 AromaticContact CE2-CE1 3.16Å; Y159-F203 HydrophobicContact CE2-CE1 3.16Å; Y159-F203 HydrophobicContact CE2-CG 4.09Å; Y159-F203 HydrophobicContact CE2-CZ 4.12Å; Y159-F203 AromaticContact CG-CD1 3.96Å; Y159-F203 HydrophobicContact CG-CD1 3.96Å; Y159-F203 AromaticContact CZ-CD1 4Å; Y159-F203 AromaticContact CZ-CE1 3.68Å; Y159-A274 WeakPolarHBondContact OH-CA 3.46Å; Y159-A274 VanDerWaalsContact OH-CB 3.27Å; Y159-A274 WeakPolarHBondContact OH-CB 3.36Å; Y159-F278 HydrophobicContact CE1-CZ 4.3Å
160	C	98.8	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	83.7	-171.4	-68.9	0	0	0	0	111.8	K190 I193 Y202 F203 L204 L205	C160-K190 HydrophobicContact CB-CG 4.08Å; C160-K190 WeakPolarHBondContact O-CE 3.38Å; C160-I193 HydrophobicContact CB-CD1 4.48Å; C160-Y202 WeakPolarHBondContact SG-CD1 3.28Å; C160-F203 WeakPolarHBondContact CA-O 3.43Å; C160-F203 VanDerWaalsContact CB-O 3.24Å; C160-F203 WeakPolarHBondContact CB-O 3.38Å; C160-F203 PolarHBondContact N-O 3.34Å; C160-L204 HydrophobicContact CB-CB 4.44Å; C160-L204 HydrophobicContact CB-CD1 3.8Å; C160-L205 PolarHBondContact O-N 3.14Å; C160-L205 VanDerWaalsContact O-N 3.11Å
161	V	98.6	Very high	97.1	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	26%	0.261	C	S	.	.			trans	-115.2	-58.6	176.1	172.6	0	0	0	0	112.1	Y159 V170 L173 K190 F203 L205	Y159-V161 HydrophobicContact CD1-CB 4.14Å; Y159-V161 HydrophobicContact CD1-CG2 3.76Å; Y159-V161 HydrophobicContact CE1-CB 3.59Å; Y159-V161 HydrophobicContact CE1-CG1 4.48Å; Y159-V161 HydrophobicContact CE1-CG2 3.08Å; Y159-V161 HydrophobicContact CE2-CG2 4.12Å; Y159-V161 PolarHBondContact O-N 3.41Å; Y159-V161 WeakPolarHBondContact OH-CG2 3.39Å; V161-V170 HydrophobicContact CG1-CG1 3.96Å; V161-V170 HydrophobicContact CG1-CG2 4.21Å; V161-L173 HydrophobicContact CG1-CD1 3.9Å; V161-L173 WeakPolarHBondContact O-CD2 3.45Å; V161-K190 WeakPolarHBondContact O-CD 3.2Å; V161-K190 PolarHBondContact O-NZ 3.29Å; V161-F203 HydrophobicContact CG2-CD1 4.39Å; V161-F203 HydrophobicContact CG2-CE1 3.81Å; V161-L205 HydrophobicContact CG1-CD2 4.2Å; V161-L205 HydrophobicContact CG2-CB 3.77Å; V161-L205 HydrophobicContact CG2-CD2 4.25Å
162	T	98.6	Very high	97	Very high	47 Å²	47	40.8 Å²	40.8	29%	0.288	26%	0.258	S	S	.	.			trans	-58.6	142.8	-175.3	-56.5	0	0	0	0	112.4	K190 M191	T162-K190 CarbonylContact O-C 3.57Å; T162-K190 VanDerWaalsContact O-CA 3.28Å; T162-K190 WeakPolarHBondContact O-CA 3.34Å; T162-K190 WeakPolarHBondContact O-CD 3.08Å; T162-M191 WeakPolarHBondContact CB-O 3.36Å; T162-M191 PolarHBondContact O-N 3.37Å
163	E	98.8	Very high	96.9	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.056	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-124.9	160.9	177.6	-69	178.6	-174.8	0	0	110.1	G165 A166 L173 K174 T175 Q189 K190	E163-G165 PolarHBondContact O-N 3.08Å; E163-G165 VanDerWaalsContact O-N 3.15Å; E163-A166 PolarHBondContact N-O 3.29Å; E163-A166 CarbonylContact O-C 3.5Å; E163-A166 PolarHBondContact O-N 2.66Å; E163-A166 VanDerWaalsContact O-N 3.09Å; E163-A166 VanDerWaalsContact O-O 3.11Å; E163-L173 HydrophobicContact CB-CD2 3.98Å; E163-L173 HydrophobicContact CG-CD2 3.56Å; E163-L173 WeakPolarHBondContact OE2-CA 3.14Å; E163-K174 PolarHBondContact OE1-N 3.41Å; E163-K174 PolarHBondContact OE2-N 3.43Å; E163-T175 WeakPolarHBondContact OE1-CB 3.24Å; E163-T175 PolarHBondContact OE1-N 3.02Å; E163-T175 PolarHBondContact OE1-OG1 3.25Å; E163-Q189 VanDerWaalsContact CG-O 3.3Å; E163-Q189 WeakPolarHBondContact CG-O 3.46Å; E163-K190 HydrophobicContact CG-CD 3.77Å; E163-K190 IonicContact OE1-NZ 3.52Å; E163-K190 PolarHBondContact OE1-NZ 3.14Å
164	P	98	Very high	96.8	Very high	80 Å²	80	35.8 Å²	35.8	52%	0.519	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.5	176.5	-26.4	34.1	0	0	0	113.4	Q189 M191	P164-Q189 VanDerWaalsContact CD-O 3.3Å; P164-Q189 WeakPolarHBondContact CD-O 3.33Å; P164-Q189 HydrophobicContact CG-CG 4.25Å; P164-M191 HydrophobicContact CG-CB 4Å
165	G	96.4	Very high	96.8	Very high	81 Å²	81	34.6 Å²	34.6	84%	0.835	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.8	-179.3	0	0	0	0	0	115.5	E163	E163-G165 PolarHBondContact O-N 3.08Å; E163-G165 VanDerWaalsContact O-N 3.15Å
166	A	95.1	Very high	96.8	Very high	12 Å²	12	38.7 Å²	38.7	10%	0.099	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-157	120.8	-173.6	0	0	0	0	0	113	E163 L173	E163-A166 PolarHBondContact N-O 3.29Å; E163-A166 CarbonylContact O-C 3.5Å; E163-A166 PolarHBondContact O-N 2.66Å; E163-A166 VanDerWaalsContact O-N 3.09Å; E163-A166 VanDerWaalsContact O-O 3.11Å; A166-L173 HydrophobicContact CB-CD2 4.06Å
167	G	94.9	Very high	96.8	Very high	32 Å²	32	38.5 Å²	38.5	33%	0.33	24%	0.236	S	C	.	.	S	Bend	trans	-124.2	-68.1	171.2	0	0	0	0	0	111.8	D169 V170	G167-D169 VanDerWaalsContact C-N 3.28Å; G167-D169 PolarHBondContact O-N 3.23Å; G167-V170 WeakPolarHBondContact O-CG2 3.31Å
168	S	93.7	Very high	96.8	Very high	68 Å²	68	40.1 Å²	40.1	48%	0.476	25%	0.246	S	C	.	.	S	Bend	trans	-58.2	-39.2	175.2	-62.8	0	0	0	0	112.8	V170	S168-V170 PolarHBondContact O-N 3.1Å
169	D	94.3	Very high	96.7	Very high	97 Å²	97	45.8 Å²	45.8	52%	0.519	27%	0.27	S	S	.	.			trans	-90.4	76.3	176	-178.6	18.4	0	0	0	111.2	G167 A171 G172	G167-D169 VanDerWaalsContact C-N 3.28Å; G167-D169 PolarHBondContact O-N 3.23Å; D169-A171 PolarHBondContact O-N 2.77Å; D169-A171 VanDerWaalsContact O-N 3.15Å; D169-A171 WeakPolarHBondContact OD1-CB 3.22Å; D169-A171 PolarHBondContact OD1-N 3.48Å; D169-G172 PolarHBondContact O-N 3.23Å; D169-G172 PolarHBondContact OD1-N 2.82Å
170	V	92.2	Very high	96.7	Very high	18 Å²	18	50 Å²	50	11%	0.109	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.1	-22.6	176.7	179.1	0	0	0	0	112	V161 G167 S168 G172 L173 L205 F271 M275	V161-V170 HydrophobicContact CG1-CG1 3.96Å; V161-V170 HydrophobicContact CG1-CG2 4.21Å; G167-V170 WeakPolarHBondContact O-CG2 3.31Å; S168-V170 PolarHBondContact O-N 3.1Å; V170-G172 VanDerWaalsContact C-N 3.26Å; V170-G172 PolarHBondContact O-N 2.94Å; V170-L173 HydrophobicContact CG1-CD1 3.83Å; V170-L173 VanDerWaalsContact O-CD1 3.27Å; V170-L173 WeakPolarHBondContact O-CD1 3.33Å; V170-L173 WeakPolarHBondContact O-CG 3.4Å; V170-L205 HydrophobicContact CG1-CD2 3.83Å; V170-F271 HydrophobicContact CB-CE2 4.08Å; V170-F271 HydrophobicContact CG1-CD2 4.1Å; V170-F271 HydrophobicContact CG1-CE2 3.83Å; V170-M275 HydrophobicContact CB-CE 4.48Å; V170-M275 HydrophobicContact CG1-CE 4.24Å; V170-M275 HydrophobicContact CG2-CE 4.37Å
171	A	93.4	Very high	96.5	Very high	31 Å²	31	53 Å²	53	26%	0.256	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-74.6	-19	175.7	0	0	0	0	0	112.8	D169 L173 T216 F220	D169-A171 PolarHBondContact O-N 2.77Å; D169-A171 VanDerWaalsContact O-N 3.15Å; D169-A171 WeakPolarHBondContact OD1-CB 3.22Å; D169-A171 PolarHBondContact OD1-N 3.48Å; A171-L173 VanDerWaalsContact C-N 3.35Å; A171-T216 HydrophobicContact CB-CG2 3.56Å; A171-F220 WeakPolarHBondContact O-CZ 3.46Å
172	G	94.7	Very high	96.4	Very high	17 Å²	17	57.6 Å²	57.6	18%	0.175	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-81.6	-6.3	-179.7	0	0	0	0	0	115.3	D169 V170 K174	D169-G172 PolarHBondContact O-N 3.23Å; D169-G172 PolarHBondContact OD1-N 2.82Å; V170-G172 VanDerWaalsContact C-N 3.26Å; V170-G172 PolarHBondContact O-N 2.94Å; G172-K174 WeakPolarHBondContact O-CD 3.42Å; G172-K174 VanDerWaalsContact O-CE 3.22Å; G172-K174 WeakPolarHBondContact O-CE 3.09Å
173	L	95.6	Very high	96.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	35%	0.346	C	S	.	.			trans	-56.1	142.7	-177.2	-62	173.1	0	0	0	112.9	V161 E163 A166 V170 A171 L205 F220	V161-L173 HydrophobicContact CG1-CD1 3.9Å; V161-L173 WeakPolarHBondContact O-CD2 3.45Å; E163-L173 HydrophobicContact CB-CD2 3.98Å; E163-L173 HydrophobicContact CG-CD2 3.56Å; E163-L173 WeakPolarHBondContact OE2-CA 3.14Å; A166-L173 HydrophobicContact CB-CD2 4.06Å; V170-L173 HydrophobicContact CG1-CD1 3.83Å; V170-L173 VanDerWaalsContact O-CD1 3.27Å; V170-L173 WeakPolarHBondContact O-CD1 3.33Å; V170-L173 WeakPolarHBondContact O-CG 3.4Å; A171-L173 VanDerWaalsContact C-N 3.35Å; L173-L205 HydrophobicContact CD1-CD2 3.89Å; L173-L205 HydrophobicContact CD1-CG 4.5Å; L173-F220 HydrophobicContact CB-CE1 3.89Å; L173-F220 HydrophobicContact CB-CZ 4.44Å
174	K	97.3	Very high	96.4	Very high	157 Å²	157	57.8 Å²	57.8	68%	0.683	35%	0.345	S	S	*	.			trans	-117.2	-15.8	-171.8	-57.4	-56.4	-178.2	-171	0	114.3	E163 G172 R176	E163-K174 PolarHBondContact OE1-N 3.41Å; E163-K174 PolarHBondContact OE2-N 3.43Å; G172-K174 WeakPolarHBondContact O-CD 3.42Å; G172-K174 VanDerWaalsContact O-CE 3.22Å; G172-K174 WeakPolarHBondContact O-CE 3.09Å; K174-R176 PolarHBondContact O-N 2.86Å; K174-R176 VanDerWaalsContact O-N 3.12Å
175	T	98.7	Very high	96.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	33%	0.327	C	S	.	.			trans	-53.6	122.3	172.3	-60.2	0	0	0	0	108.8	E163 V186 N187 K190 A206 R207	E163-T175 WeakPolarHBondContact OE1-CB 3.24Å; E163-T175 PolarHBondContact OE1-N 3.02Å; E163-T175 PolarHBondContact OE1-OG1 3.25Å; T175-V186 HydrophobicContact CG2-CG1 3.75Å; T175-N187 WeakPolarHBondContact CA-O 3.47Å; T175-K190 WeakPolarHBondContact OG1-CE 3.35Å; T175-K190 PolarHBondContact OG1-NZ 2.74Å; T175-A206 HydrophobicContact CG2-CB 3.97Å; T175-A206 CarbonylContact O-C 3.53Å; T175-A206 WeakPolarHBondContact O-CA 3.49Å; T175-R207 PolarHBondContact O-N 2.95Å
176	R	98.4	Very high	96.5	Very high	128 Å²	128	51.3 Å²	51.3	48%	0.483	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.2	-171.7	-177.1	173.9	178.4	-115.9	-3.4	110.2	K174 V178 V186 N187 R207	K174-R176 PolarHBondContact O-N 2.86Å; K174-R176 VanDerWaalsContact O-N 3.12Å; R176-V178 HydrophobicContact CG-CG2 4.09Å; R176-V186 VanDerWaalsContact O-CA 3.27Å; R176-V186 WeakPolarHBondContact O-CA 3.49Å; R176-N187 PolarHBondContact N-O 3.41Å; R176-N187 PolarHBondContact O-N 3.19Å; R176-R207 WeakPolarHBondContact CA-O 3.1Å
177	A	98.7	Very high	96.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	171.1	0	0	0	0	0	109.3	Y184 V185 V186 A206 R207 T208 F223	A177-Y184 HydrophobicContact CB-CD1 4.28Å; A177-V185 WeakPolarHBondContact CA-O 3.47Å; A177-V186 HydrophobicContact CB-CG2 3.85Å; A177-A206 HydrophobicContact CB-CB 3.82Å; A177-R207 PolarHBondContact N-O 2.95Å; A177-T208 HydrophobicContact CB-CG2 3.74Å; A177-T208 WeakPolarHBondContact O-CA 2.98Å; A177-F223 HydrophobicContact CB-CE2 3.78Å; A177-F223 HydrophobicContact CB-CZ 3.72Å
178	V	98.5	Very high	96.9	Very high	34 Å²	34	53.4 Å²	53.4	21%	0.206	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.4	-178.5	-168.5	0	0	0	0	109.5	R176 M180 Y184 V185	R176-V178 HydrophobicContact CG-CG2 4.09Å; V178-M180 HydrophobicContact CG1-CE 3.91Å; V178-M180 PolarHBondContact O-N 2.9Å; V178-Y184 CarbonylContact O-C 3.47Å; V178-Y184 VanDerWaalsContact O-CA 3.27Å; V178-Y184 WeakPolarHBondContact O-CA 3.37Å; V178-V185 PolarHBondContact N-O 2.83Å; V178-V185 PolarHBondContact O-N 3.5Å
179	K	98.1	Very high	97.1	Very high	119 Å²	119	54.6 Å²	54.6	52%	0.517	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.7	175.4	-164.9	175.8	-176.7	178.7	0	110.5	E183 Y184	K179-E183 CarbonylContact C-O 3.51Å; K179-E183 WeakPolarHBondContact CA-O 3.29Å; K179-Y184 HydrophobicContact CB-CD1 4.02Å; K179-Y184 HydrophobicContact CB-CE1 3.7Å; K179-Y184 HydrophobicContact CD-CE1 4.41Å; K179-Y184 HydrophobicContact CG-CE1 4.08Å; K179-Y184 HydrophobicContact CG-CE2 4.37Å
180	M	97.1	Very high	97.3	Very high	109 Å²	109	50 Å²	50	54%	0.537	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	92.4	177.4	-67.4	-64.4	-170.2	0	0	108.4	V178 D182 E183 V185	V178-M180 HydrophobicContact CG1-CE 3.91Å; V178-M180 PolarHBondContact O-N 2.9Å; M180-D182 PolarHBondContact O-N 3.47Å; M180-E183 PolarHBondContact N-O 2.86Å; M180-E183 PolarHBondContact O-N 3.02Å; M180-V185 HydrophobicContact CB-CG2 4.18Å; M180-V185 HydrophobicContact CG-CG2 3.77Å
181	G	95.8	Very high	97.6	Very high	62 Å²	62	50.3 Å²	50.3	64%	0.639	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	-117.1	-173.4	0	0	0	0	0	111.9
182	D	96.3	Very high	97.9	Very high	103 Å²	103	55 Å²	55	55%	0.551	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	9.6	-177.6	-77.2	-26.9	0	0	0	114.4	M180 K260	M180-D182 PolarHBondContact O-N 3.47Å; D182-K260 HydrophobicContact CB-CD 4.14Å; D182-K260 VanDerWaalsContact O-CB 3.27Å; D182-K260 WeakPolarHBondContact O-CB 3.44Å; D182-K260 WeakPolarHBondContact O-CG 3.42Å; D182-K260 PolarHBondContact O-N 3.1Å; D182-K260 WeakPolarHBondContact OD1-CE 3.41Å; D182-K260 IonicContact OD1-NZ 2.7Å; D182-K260 PolarHBondContact OD1-NZ 3.49Å; D182-K260 IonicContact OD2-NZ 3.21Å
183	E	97.8	Very high	98.1	Very high	54 Å²	54	54.3 Å²	54.3	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	170.4	-179.2	-60.8	177.7	168.3	0	0	111.6	K179 M180 R257 I258	K179-E183 CarbonylContact C-O 3.51Å; K179-E183 WeakPolarHBondContact CA-O 3.29Å; M180-E183 PolarHBondContact N-O 2.86Å; M180-E183 PolarHBondContact O-N 3.02Å; E183-R257 IonicContact OE1-NH2 3.21Å; E183-R257 IonicContact OE2-CZ 3.34Å; E183-R257 IonicContact OE2-NE 2.86Å; E183-R257 PolarHBondContact OE2-NE 3.26Å; E183-R257 IonicContact OE2-NH1 2.7Å; E183-R257 IonicContact OE2-NH2 3.87Å; E183-R257 PolarHBondContact OE2-NH2 2.97Å; E183-I258 CarbonylContact C-O 3.45Å; E183-I258 VanDerWaalsContact CA-O 3.24Å; E183-I258 WeakPolarHBondContact CA-O 3.17Å; E183-I258 WeakPolarHBondContact CB-O 3.17Å
184	Y	98.8	Very high	98.3	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.4	167.8	-69.3	-100.4	0	0	0	109.5	A177 V178 K179 T208 F223 R257 I258 V263 E267	A177-Y184 HydrophobicContact CB-CD1 4.28Å; V178-Y184 CarbonylContact O-C 3.47Å; V178-Y184 VanDerWaalsContact O-CA 3.27Å; V178-Y184 WeakPolarHBondContact O-CA 3.37Å; K179-Y184 HydrophobicContact CB-CD1 4.02Å; K179-Y184 HydrophobicContact CB-CE1 3.7Å; K179-Y184 HydrophobicContact CD-CE1 4.41Å; K179-Y184 HydrophobicContact CG-CE1 4.08Å; K179-Y184 HydrophobicContact CG-CE2 4.37Å; Y184-T208 HydrophobicContact CD1-CG2 4.22Å; Y184-T208 HydrophobicContact CE1-CG2 4.01Å; Y184-F223 HydrophobicContact CD1-CE1 4.03Å; Y184-F223 AromaticContact CD1-CZ 3.89Å; Y184-F223 HydrophobicContact CD1-CZ 3.89Å; Y184-F223 AromaticContact CD2-CE1 3.68Å; Y184-F223 HydrophobicContact CD2-CE1 3.68Å; Y184-F223 HydrophobicContact CD2-CZ 4.37Å; Y184-F223 HydrophobicContact CE1-CE1 4.47Å; Y184-F223 HydrophobicContact CE1-CZ 4.31Å; Y184-F223 HydrophobicContact CE2-CE1 4.15Å; Y184-F223 AromaticContact CG-CE1 3.6Å; Y184-F223 HydrophobicContact CG-CE1 3.6Å; Y184-F223 AromaticContact CG-CZ 3.92Å; Y184-F223 HydrophobicContact CG-CZ 3.92Å; Y184-R257 CarbonylContact O-C 3.59Å; Y184-R257 WeakPolarHBondContact O-CA 3.44Å; Y184-I258 PolarHBondContact N-O 2.75Å; Y184-I258 PolarHBondContact O-N 3.21Å; Y184-V263 HydrophobicContact CD2-CG2 4.06Å; Y184-V263 HydrophobicContact CE2-CG2 3.54Å; Y184-E267 PolarHBondContact OH-OE2 2.76Å
185	V	98.8	Very high	98.3	Very high	24 Å²	24	48.2 Å²	48.2	15%	0.145	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.2	171.4	-176.1	0	0	0	0	108.4	A177 V178 M180 D255 V256 R257	A177-V185 WeakPolarHBondContact CA-O 3.47Å; V178-V185 PolarHBondContact N-O 2.83Å; V178-V185 PolarHBondContact O-N 3.5Å; M180-V185 HydrophobicContact CB-CG2 4.18Å; M180-V185 HydrophobicContact CG-CG2 3.77Å; V185-D255 HydrophobicContact CG1-CB 4.14Å; V185-V256 CarbonylContact C-O 3.59Å; V185-V256 WeakPolarHBondContact CA-O 3.43Å; V185-R257 HydrophobicContact CG2-CG 4.47Å
186	V	98.9	Very high	98.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.8	-176.4	176.3	0	0	0	0	111.3	T175 R176 A177 L204 F253 D255 V256 I258	T175-V186 HydrophobicContact CG2-CG1 3.75Å; R176-V186 VanDerWaalsContact O-CA 3.27Å; R176-V186 WeakPolarHBondContact O-CA 3.49Å; A177-V186 HydrophobicContact CB-CG2 3.85Å; V186-L204 HydrophobicContact CG1-CD2 3.9Å; V186-L204 HydrophobicContact CG2-CD2 4.32Å; V186-F253 HydrophobicContact CG1-CB 3.86Å; V186-F253 HydrophobicContact CG1-CD1 4.48Å; V186-F253 HydrophobicContact CG1-CG 4.23Å; V186-D255 PolarHBondContact O-N 3.39Å; V186-V256 HydrophobicContact CB-CB 4.34Å; V186-V256 PolarHBondContact N-O 2.81Å; V186-V256 PolarHBondContact O-N 2.86Å; V186-V256 VanDerWaalsContact O-N 3.08Å; V186-I258 HydrophobicContact CB-CD1 4.36Å; V186-I258 HydrophobicContact CG2-CD1 3.42Å; V186-I258 VanDerWaalsContact CG2-CD1 3.42Å; V186-I258 HydrophobicContact CG2-CG1 4.29Å
187	N	98.9	Very high	98.3	Very high	65 Å²	65	43.2 Å²	43.2	35%	0.348	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.3	171.4	-80	-76.1	0	0	0	110.9	T175 R176 F253 D255	T175-N187 WeakPolarHBondContact CA-O 3.47Å; R176-N187 PolarHBondContact N-O 3.41Å; R176-N187 PolarHBondContact O-N 3.19Å; N187-F253 CarbonylContact C-O 3.41Å; N187-F253 VanDerWaalsContact CA-O 3.29Å; N187-F253 WeakPolarHBondContact CA-O 3.44Å; N187-D255 PolarHBondContact ND2-OD1 3.23Å; N187-D255 PolarHBondContact OD1-N 3.16Å
188	G	98.6	Very high	98.4	Very high	24 Å²	24	47.6 Å²	47.6	25%	0.247	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-176.2	175.6	0	0	0	0	0	113.5	F253	G188-F253 PolarHBondContact N-O 3.1Å; G188-F253 PolarHBondContact O-N 3.48Å
189	Q	98.8	Very high	98.4	Very high	93 Å²	93	46.5 Å²	46.5	44%	0.435	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.2	-179.3	-172.9	-177.8	18.7	0	0	110.2	E163 P164 I251	E163-Q189 VanDerWaalsContact CG-O 3.3Å; E163-Q189 WeakPolarHBondContact CG-O 3.46Å; P164-Q189 VanDerWaalsContact CD-O 3.3Å; P164-Q189 WeakPolarHBondContact CD-O 3.33Å; P164-Q189 HydrophobicContact CG-CG 4.25Å; Q189-I251 WeakPolarHBondContact CA-O 3.32Å
190	K	98.9	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	152.9	172.6	-61.8	-64.3	-175.6	-170.3	0	110.2	C160 V161 T162 E163 T175 I193 L204 L205 G250 I251 F253	C160-K190 HydrophobicContact CB-CG 4.08Å; C160-K190 WeakPolarHBondContact O-CE 3.38Å; V161-K190 WeakPolarHBondContact O-CD 3.2Å; V161-K190 PolarHBondContact O-NZ 3.29Å; T162-K190 CarbonylContact O-C 3.57Å; T162-K190 VanDerWaalsContact O-CA 3.28Å; T162-K190 WeakPolarHBondContact O-CA 3.34Å; T162-K190 WeakPolarHBondContact O-CD 3.08Å; E163-K190 HydrophobicContact CG-CD 3.77Å; E163-K190 IonicContact OE1-NZ 3.52Å; E163-K190 PolarHBondContact OE1-NZ 3.14Å; T175-K190 WeakPolarHBondContact OG1-CE 3.35Å; T175-K190 PolarHBondContact OG1-NZ 2.74Å; K190-I193 HydrophobicContact CB-CD1 4.07Å; K190-I193 HydrophobicContact CB-CG1 3.99Å; K190-L204 HydrophobicContact CD-CD1 4.36Å; K190-L204 VanDerWaalsContact CE-CD1 3.5Å; K190-L204 HydrophobicContact CG-CD1 4.07Å; K190-L205 WeakPolarHBondContact CE-O 3.36Å; K190-L205 PolarHBondContact NZ-O 3.44Å; K190-G250 CarbonylContact O-C 3.55Å; K190-G250 VanDerWaalsContact O-CA 3.32Å; K190-G250 WeakPolarHBondContact O-CA 3.45Å; K190-I251 PolarHBondContact N-O 3.13Å; K190-I251 PolarHBondContact O-N 3.4Å; K190-F253 HydrophobicContact CB-CE2 4.21Å; K190-F253 HydrophobicContact CG-CD2 4.32Å; K190-F253 HydrophobicContact CG-CE2 3.7Å
191	M	98.8	Very high	98.5	Very high	25 Å²	25	38.1 Å²	38.1	12%	0.123	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.8	-175.3	-167.9	57.6	-174.6	0	0	111.8	T162 P164 I193 E238	T162-M191 WeakPolarHBondContact CB-O 3.36Å; T162-M191 PolarHBondContact O-N 3.37Å; P164-M191 HydrophobicContact CG-CB 4Å; M191-I193 WeakPolarHBondContact O-CD1 3.38Å; M191-E238 HydrophobicContact CE-CG 3.93Å
192	W	98.8	Very high	98.6	Very high	129 Å²	129	35.2 Å²	35.2	49%	0.489	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.2	38	-179.3	-47.3	116.2	0	0	0	113.5	T194 E238 T248 R249	W192-T194 PolarHBondContact O-N 2.87Å; W192-E238 HydrophobicContact CE3-CG 4.4Å; W192-E238 HydrophobicContact CH2-CG 4.49Å; W192-E238 HydrophobicContact CZ3-CB 3.87Å; W192-E238 HydrophobicContact CZ3-CG 3.8Å; W192-T248 HydrophobicContact CB-CG2 4.29Å; W192-T248 HydrophobicContact CE3-CG2 4.08Å; W192-R249 PolarHBondContact N-O 3.2Å
193	I	98.9	Very high	98.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.5	-176.8	-52.8	-46.9	0	0	0	109.8	A158 C160 K190 M191 G196 T248 R249 I251	A158-I193 HydrophobicContact CB-CG2 3.81Å; C160-I193 HydrophobicContact CB-CD1 4.48Å; K190-I193 HydrophobicContact CB-CD1 4.07Å; K190-I193 HydrophobicContact CB-CG1 3.99Å; M191-I193 WeakPolarHBondContact O-CD1 3.38Å; I193-G196 WeakPolarHBondContact O-CA 3.47Å; I193-G196 PolarHBondContact O-N 3.05Å; I193-G196 VanDerWaalsContact O-N 3.08Å; I193-T248 WeakPolarHBondContact O-CA 3.5Å; I193-R249 PolarHBondContact N-O 3.5Å; I193-R249 PolarHBondContact O-N 2.79Å; I193-R249 VanDerWaalsContact O-N 3.14Å; I193-I251 HydrophobicContact CB-CD1 4Å; I193-I251 HydrophobicContact CB-CG1 4.43Å; I193-I251 HydrophobicContact CG1-CD1 4.13Å; I193-I251 HydrophobicContact CG1-CG1 4.35Å; I193-I251 HydrophobicContact CG2-CD1 3.86Å
194	T	98.9	Very high	98.8	Very high	29 Å²	29	27.7 Å²	27.7	18%	0.178	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.9	171.1	-53.8	0	0	0	0	110.6	T122 A126 A158 W192 G196 D247	T122-T194 HydrophobicContact CG2-CG2 3.93Å; A126-T194 HydrophobicContact CB-CG2 3.46Å; A126-T194 VanDerWaalsContact CB-CG2 3.46Å; A158-T194 WeakPolarHBondContact CB-O 3.3Å; W192-T194 PolarHBondContact O-N 2.87Å; T194-G196 PolarHBondContact O-N 3.28Å; T194-D247 CarbonylContact C-O 3.55Å; T194-D247 VanDerWaalsContact CA-O 3.23Å; T194-D247 WeakPolarHBondContact CA-O 3.2Å
195	N	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	16.2	-169.5	-66	-20.8	0	0	0	113.9	Y74 A123 A126 M156 C157 A158 G197 K198 A199 D247	Y74-N195 PolarHBondContact OH-OD1 3.34Å; A123-N195 PolarHBondContact O-ND2 2.81Å; A126-N195 WeakPolarHBondContact CB-ND2 3.45Å; M156-N195 HydrophobicContact CB-CB 4.46Å; M156-N195 WeakPolarHBondContact CE-ND2 3.42Å; C157-N195 PolarHBondContact O-ND2 3.18Å; A158-N195 HydrophobicContact CB-CB 4.27Å; N195-G197 VanDerWaalsContact C-N 3.27Å; N195-G197 PolarHBondContact O-N 3.35Å; N195-G197 VanDerWaalsContact O-N 3.14Å; N195-K198 CarbonylContact O-C 3.32Å; N195-K198 PolarHBondContact O-N 3.02Å; N195-A199 WeakPolarHBondContact O-CB 3.37Å; N195-A199 PolarHBondContact O-N 3.3Å; N195-D247 PolarHBondContact N-O 2.99Å
196	G	98.7	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.2	-172.2	0	0	0	0	0	114.2	I193 T194 Y202 D247	I193-G196 WeakPolarHBondContact O-CA 3.47Å; I193-G196 PolarHBondContact O-N 3.05Å; I193-G196 VanDerWaalsContact O-N 3.08Å; T194-G196 PolarHBondContact O-N 3.28Å; G196-Y202 PolarHBondContact O-OH 3.18Å; G196-D247 PolarHBondContact N-OD2 2.9Å
197	G	98.6	Very high	98.8	Very high	25 Å²	25	28.1 Å²	28.1	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.9	177.1	0	0	0	0	0	115.2	N195 D247	N195-G197 VanDerWaalsContact C-N 3.27Å; N195-G197 PolarHBondContact O-N 3.35Å; N195-G197 VanDerWaalsContact O-N 3.14Å; G197-D247 WeakPolarHBondContact CA-OD2 3.35Å; G197-D247 PolarHBondContact N-OD2 2.68Å
198	K	98.8	Very high	98.8	Very high	92 Å²	92	25.6 Å²	25.6	40%	0.4	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-17	-176.2	-56	-63.4	172.4	-169	0	113.1	Y74 M156 N195 D247	Y74-K198 HydrophobicContact CD1-CD 3.84Å; Y74-K198 HydrophobicContact CD1-CG 3.91Å; Y74-K198 HydrophobicContact CD2-CG 4.09Å; Y74-K198 HydrophobicContact CE1-CB 4.06Å; Y74-K198 HydrophobicContact CE1-CD 4.07Å; Y74-K198 HydrophobicContact CE1-CG 3.74Å; Y74-K198 HydrophobicContact CE2-CG 3.94Å; Y74-K198 HydrophobicContact CG-CD 4.13Å; Y74-K198 HydrophobicContact CG-CG 4.06Å; M156-K198 HydrophobicContact CB-CB 4.5Å; M156-K198 HydrophobicContact CG-CB 4.47Å; N195-K198 CarbonylContact O-C 3.32Å; N195-K198 PolarHBondContact O-N 3.02Å; K198-D247 HydrophobicContact CG-CB 3.9Å
199	A	98.9	Very high	98.7	Very high	11 Å²	11	26.9 Å²	26.9	9%	0.091	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.5	-178.4	0	0	0	0	0	112.4	M156 A158 N195 Y202 A227	M156-A199 CarbonylContact O-C 3.58Å; M156-A199 WeakPolarHBondContact O-CA 3.34Å; A158-A199 HydrophobicContact CB-CB 3.79Å; N195-A199 WeakPolarHBondContact O-CB 3.37Å; N195-A199 PolarHBondContact O-N 3.3Å; A199-Y202 HydrophobicContact CB-CD1 4.06Å; A199-Y202 HydrophobicContact CB-CE1 3.56Å; A199-A227 WeakPolarHBondContact O-CB 3.43Å
200	N	98.9	Very high	98.5	Very high	53 Å²	53	26.9 Å²	26.9	28%	0.283	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-31.7	166.7	178.8	-104.2	0	0	0	111.3	R149 L155 M156 A227	R149-N200 WeakPolarHBondContact CD-OD1 3.48Å; R149-N200 PolarHBondContact NH1-OD1 3.36Å; L155-N200 HydrophobicContact CB-CB 4.22Å; L155-N200 HydrophobicContact CD1-CB 4.27Å; L155-N200 HydrophobicContact CD2-CB 4.32Å; M156-N200 PolarHBondContact O-N 2.98Å; N200-A227 WeakPolarHBondContact O-CB 3.37Å; N200-A227 PolarHBondContact O-N 2.99Å
201	W	98.9	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.2	175.5	59.6	-93.5	0	0	0	111.2	G130 Q131 V134 Y146 M150 C157 A158 I224 V225	G130-W201 VanDerWaalsContact O-CH2 3.27Å; G130-W201 WeakPolarHBondContact O-CH2 3.46Å; G130-W201 WeakPolarHBondContact O-CZ3 3.34Å; Q131-W201 HydrophobicContact CG-CH2 4.14Å; Q131-W201 HydrophobicContact CG-CZ2 4.02Å; V134-W201 HydrophobicContact CG2-CH2 4.02Å; V134-W201 HydrophobicContact CG2-CZ3 4.08Å; Y146-W201 HydrophobicContact CD1-CB 4.32Å; Y146-W201 HydrophobicContact CD1-CD2 4.28Å; Y146-W201 AromaticContact CD1-CG 3.98Å; Y146-W201 HydrophobicContact CD1-CG 3.98Å; Y146-W201 PolarHBondContact O-NE1 3Å; M150-W201 HydrophobicContact CG-CZ2 4.4Å; M150-W201 HydrophobicContact SD-CZ2 4.47Å; M150-W201 PolarHBondContact SD-NE1 2.83Å; C157-W201 VanDerWaalsContact CA-O 3.29Å; C157-W201 WeakPolarHBondContact CA-O 3.49Å; C157-W201 HydrophobicContact CB-CD2 3.7Å; C157-W201 VanDerWaalsContact CB-CE2 3.45Å; C157-W201 HydrophobicContact CB-CE3 4Å; C157-W201 HydrophobicContact CB-CG 4.3Å; C157-W201 HydrophobicContact CB-CH2 3.87Å; C157-W201 HydrophobicContact CB-CZ2 3.56Å; C157-W201 HydrophobicContact CB-CZ3 4.08Å; C157-W201 VanDerWaalsContact CB-O 3.31Å; C157-W201 WeakPolarHBondContact CB-O 3.23Å; A158-W201 PolarHBondContact N-O 2.96Å; W201-I224 HydrophobicContact CD2-CG2 4.26Å; W201-I224 HydrophobicContact CE3-CG2 3.79Å; W201-I224 HydrophobicContact CZ3-CG2 4.43Å; W201-V225 CarbonylContact C-O 3.58Å; W201-V225 WeakPolarHBondContact CA-O 3.45Å; W201-V225 WeakPolarHBondContact CB-O 3.47Å
202	Y	98.9	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.5	-179.5	-53.2	-76.1	0	0	0	110.8	A158 C160 G196 A199 I224 V225 A227 I232 I251	A158-Y202 HydrophobicContact CB-CD1 3.66Å; A158-Y202 HydrophobicContact CB-CE1 3.93Å; A158-Y202 CarbonylContact O-C 3.59Å; A158-Y202 WeakPolarHBondContact O-CA 3.47Å; C160-Y202 WeakPolarHBondContact SG-CD1 3.28Å; G196-Y202 PolarHBondContact O-OH 3.18Å; A199-Y202 HydrophobicContact CB-CD1 4.06Å; A199-Y202 HydrophobicContact CB-CE1 3.56Å; Y202-I224 CarbonylContact O-C 3.6Å; Y202-I224 WeakPolarHBondContact O-CA 3.32Å; Y202-V225 PolarHBondContact N-O 2.92Å; Y202-V225 PolarHBondContact O-N 3.39Å; Y202-A227 HydrophobicContact CD2-CB 4.19Å; Y202-A227 HydrophobicContact CE2-CB 3.44Å; Y202-A227 VanDerWaalsContact CE2-CB 3.44Å; Y202-I232 HydrophobicContact CD2-CD1 4.47Å; Y202-I232 HydrophobicContact CE2-CD1 4.33Å; Y202-I232 HydrophobicContact CE2-CG2 4.44Å; Y202-I251 HydrophobicContact CD1-CD1 4.18Å; Y202-I251 HydrophobicContact CE1-CD1 3.55Å
203	F	98.9	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.8	148.6	166.3	-94.6	0	0	0	107.9	P133 A158 Y159 C160 V161 L205 F223 L264 I273	P133-F203 HydrophobicContact CB-CD2 3.36Å; P133-F203 HydrophobicContact CB-CE2 3.56Å; P133-F203 HydrophobicContact CB-CG 3.95Å; P133-F203 HydrophobicContact CB-CZ 4.3Å; P133-F203 HydrophobicContact CG-CB 4.29Å; P133-F203 HydrophobicContact CG-CD1 4.09Å; P133-F203 HydrophobicContact CG-CD2 3.66Å; P133-F203 HydrophobicContact CG-CE1 4.32Å; P133-F203 HydrophobicContact CG-CE2 3.92Å; P133-F203 HydrophobicContact CG-CG 3.73Å; P133-F203 HydrophobicContact CG-CZ 4.23Å; A158-F203 PolarHBondContact O-N 2.9Å; Y159-F203 HydrophobicContact CD2-CB 4.17Å; Y159-F203 AromaticContact CD2-CD1 3.15Å; Y159-F203 HydrophobicContact CD2-CD1 3.15Å; Y159-F203 AromaticContact CD2-CE1 3.73Å; Y159-F203 HydrophobicContact CD2-CE1 3.73Å; Y159-F203 AromaticContact CD2-CG 3.91Å; Y159-F203 HydrophobicContact CD2-CG 3.91Å; Y159-F203 AromaticContact CE2-CD1 3.15Å; Y159-F203 HydrophobicContact CE2-CD1 3.15Å; Y159-F203 AromaticContact CE2-CE1 3.16Å; Y159-F203 HydrophobicContact CE2-CE1 3.16Å; Y159-F203 HydrophobicContact CE2-CG 4.09Å; Y159-F203 HydrophobicContact CE2-CZ 4.12Å; Y159-F203 AromaticContact CG-CD1 3.96Å; Y159-F203 HydrophobicContact CG-CD1 3.96Å; Y159-F203 AromaticContact CZ-CD1 4Å; Y159-F203 AromaticContact CZ-CE1 3.68Å; C160-F203 WeakPolarHBondContact CA-O 3.43Å; C160-F203 VanDerWaalsContact CB-O 3.24Å; C160-F203 WeakPolarHBondContact CB-O 3.38Å; C160-F203 PolarHBondContact N-O 3.34Å; V161-F203 HydrophobicContact CG2-CD1 4.39Å; V161-F203 HydrophobicContact CG2-CE1 3.81Å; F203-L205 HydrophobicContact CE1-CB 4.13Å; F203-L205 HydrophobicContact CZ-CB 4.3Å; F203-L205 HydrophobicContact CZ-CD1 4.45Å; F203-F223 CarbonylContact C-O 3.59Å; F203-F223 WeakPolarHBondContact CA-O 3.17Å; F203-L264 HydrophobicContact CD2-CD1 3.71Å; F203-L264 HydrophobicContact CE2-CD1 3.8Å; F203-I273 HydrophobicContact CE2-CG2 4.3Å
204	L	98.9	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.2	178.7	174.5	69.4	0	0	0	110.7	C160 V186 K190 G222 F223 V225 F253 I258	C160-L204 HydrophobicContact CB-CB 4.44Å; C160-L204 HydrophobicContact CB-CD1 3.8Å; V186-L204 HydrophobicContact CG1-CD2 3.9Å; V186-L204 HydrophobicContact CG2-CD2 4.32Å; K190-L204 HydrophobicContact CD-CD1 4.36Å; K190-L204 VanDerWaalsContact CE-CD1 3.5Å; K190-L204 HydrophobicContact CG-CD1 4.07Å; L204-G222 CarbonylContact O-C 3.55Å; L204-G222 WeakPolarHBondContact O-CA 3.46Å; L204-F223 HydrophobicContact CB-CB 4.38Å; L204-F223 PolarHBondContact N-O 3.37Å; L204-F223 PolarHBondContact O-N 3.06Å; L204-V225 HydrophobicContact CB-CG2 3.86Å; L204-V225 HydrophobicContact CD2-CG2 4Å; L204-F253 HydrophobicContact CD1-CE1 4.49Å; L204-F253 HydrophobicContact CD1-CE2 4.09Å; L204-F253 HydrophobicContact CD1-CZ 4.01Å; L204-F253 HydrophobicContact CD2-CD1 4.31Å; L204-F253 HydrophobicContact CD2-CE1 4.13Å; L204-F253 HydrophobicContact CD2-CZ 4.46Å; L204-I258 HydrophobicContact CD2-CD1 4.13Å
205	L	98.9	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120	168.5	-169.9	69.8	0	0	0	110.1	C160 V161 V170 L173 K190 F203 F220 G270 A274	C160-L205 PolarHBondContact O-N 3.14Å; C160-L205 VanDerWaalsContact O-N 3.11Å; V161-L205 HydrophobicContact CG1-CD2 4.2Å; V161-L205 HydrophobicContact CG2-CB 3.77Å; V161-L205 HydrophobicContact CG2-CD2 4.25Å; V170-L205 HydrophobicContact CG1-CD2 3.83Å; L173-L205 HydrophobicContact CD1-CD2 3.89Å; L173-L205 HydrophobicContact CD1-CG 4.5Å; K190-L205 WeakPolarHBondContact CE-O 3.36Å; K190-L205 PolarHBondContact NZ-O 3.44Å; F203-L205 HydrophobicContact CE1-CB 4.13Å; F203-L205 HydrophobicContact CZ-CB 4.3Å; F203-L205 HydrophobicContact CZ-CD1 4.45Å; L205-F220 HydrophobicContact CD1-CB 3.77Å; L205-F220 HydrophobicContact CG-CB 4.19Å; L205-F220 HydrophobicContact CG-CD1 4.41Å; L205-G270 VanDerWaalsContact CD1-C 3.42Å; L205-G270 WeakPolarHBondContact CD1-O 3.48Å; L205-A274 HydrophobicContact CD2-CB 4.11Å
206	A	98.8	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.8	178.3	0	0	0	0	0	111.5	T175 A177 T208 F220 T221 F223	T175-A206 HydrophobicContact CG2-CB 3.97Å; T175-A206 CarbonylContact O-C 3.53Å; T175-A206 WeakPolarHBondContact O-CA 3.49Å; A177-A206 HydrophobicContact CB-CB 3.82Å; A206-T208 PolarHBondContact O-N 2.7Å; A206-F220 CarbonylContact O-C 3.59Å; A206-F220 WeakPolarHBondContact O-CA 3.2Å; A206-T221 PolarHBondContact N-O 3.48Å; A206-T221 VanDerWaalsContact N-O 3.12Å; A206-T221 PolarHBondContact O-N 3.24Å; A206-F223 HydrophobicContact CB-CD2 4.42Å; A206-F223 HydrophobicContact CB-CE2 4.09Å
207	R	98.6	Very high	97.2	Very high	41 Å²	41	45.9 Å²	45.9	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.1	176	-168.8	177	-172.3	114.7	1.5	109.4	T175 R176 A177 N209 D211 F220	T175-R207 PolarHBondContact O-N 2.95Å; R176-R207 WeakPolarHBondContact CA-O 3.1Å; A177-R207 PolarHBondContact N-O 2.95Å; R207-N209 WeakPolarHBondContact CG-O 3.16Å; R207-N209 PolarHBondContact NE-O 3.41Å; R207-D211 PolarHBondContact NH2-O 2.86Å; R207-F220 HydrophobicContact CB-CD1 3.96Å; R207-F220 HydrophobicContact CB-CE1 3.78Å; R207-F220 HydrophobicContact CG-CD1 4.44Å; R207-F220 HydrophobicContact CG-CE1 4.14Å
208	T	98.3	Very high	97.2	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.08	28%	0.278	C	S	.	.			trans	-97.4	-31.1	174.9	47.3	0	0	0	0	112.3	A177 Y184 A206 P210 A219 T221 F223 E267	A177-T208 HydrophobicContact CB-CG2 3.74Å; A177-T208 WeakPolarHBondContact O-CA 2.98Å; Y184-T208 HydrophobicContact CD1-CG2 4.22Å; Y184-T208 HydrophobicContact CE1-CG2 4.01Å; A206-T208 PolarHBondContact O-N 2.7Å; T208-P210 WeakPolarHBondContact O-CD 3.47Å; T208-A219 PolarHBondContact N-O 2.86Å; T208-T221 HydrophobicContact CG2-CG2 4.43Å; T208-T221 WeakPolarHBondContact CG2-OG1 3.44Å; T208-T221 PolarHBondContact OG1-OG1 2.95Å; T208-F223 HydrophobicContact CG2-CE2 4.31Å; T208-F223 HydrophobicContact CG2-CZ 3.95Å; T208-E267 HydrophobicContact CG2-CG 4.19Å; T208-E267 WeakPolarHBondContact OG1-CG 3.28Å
209	N	97.3	Very high	97.1	Very high	50 Å²	50	47 Å²	47	27%	0.267	26%	0.259	S	S	.	.			trans	-88.4	116.3	177.5	-164.3	-44.1	0	0	0	111.1	R207 D211 C214 A219	R207-N209 WeakPolarHBondContact CG-O 3.16Å; R207-N209 PolarHBondContact NE-O 3.41Å; N209-D211 VanDerWaalsContact C-N 3.3Å; N209-D211 PolarHBondContact O-N 2.77Å; N209-D211 VanDerWaalsContact OD1-CB 3.28Å; N209-D211 WeakPolarHBondContact OD1-CB 3.43Å; N209-D211 PolarHBondContact OD1-N 3.31Å; N209-C214 HydrophobicContact CB-CB 4.17Å; N209-C214 VanDerWaalsContact CG-SG 3.58Å; N209-C214 PolarHBondContact ND2-SG 3.34Å; N209-A219 PolarHBondContact N-O 2.94Å
210	P	94.9	Very high	97.1	Very high	94 Å²	94	46.6 Å²	46.6	61%	0.61	26%	0.255	S	S	*	.			trans	-75.5	-16.6	-178.2	32.3	-36.1	0	0	0	113.4	T208 P212	T208-P210 WeakPolarHBondContact O-CD 3.47Å; P210-P212 WeakPolarHBondContact O-CD 3.49Å
211	D	96.3	Very high	97.1	Very high	72 Å²	72	44 Å²	44	39%	0.385	24%	0.241	S	C	.	.			trans	-66.6	119.5	-179.2	-179.2	4	0	0	0	110	R207 N209 K213 C214	R207-D211 PolarHBondContact NH2-O 2.86Å; N209-D211 VanDerWaalsContact C-N 3.3Å; N209-D211 PolarHBondContact O-N 2.77Å; N209-D211 VanDerWaalsContact OD1-CB 3.28Å; N209-D211 WeakPolarHBondContact OD1-CB 3.43Å; N209-D211 PolarHBondContact OD1-N 3.31Å; D211-K213 PolarHBondContact O-N 3.05Å; D211-K213 WeakPolarHBondContact OD1-CB 3.35Å; D211-K213 PolarHBondContact OD1-N 3.44Å; D211-C214 HydrophobicContact CB-CB 4.17Å; D211-C214 VanDerWaalsContact O-CB 3.31Å; D211-C214 WeakPolarHBondContact O-CB 3.49Å; D211-C214 PolarHBondContact O-N 2.69Å; D211-C214 VanDerWaalsContact O-N 3.15Å
212	P	90.9	Very high	97.1	Very high	115 Å²	115	44 Å²	44	75%	0.747	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.3	176	26.8	-35.3	0	0	0	113	P210	P210-P212 WeakPolarHBondContact O-CD 3.49Å
213	K	94.5	Very high	97.1	Very high	186 Å²	186	44 Å²	44	81%	0.809	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.3	177.6	-58.5	180	-178.6	177.7	0	113.2	D211	D211-K213 PolarHBondContact O-N 3.05Å; D211-K213 WeakPolarHBondContact OD1-CB 3.35Å; D211-K213 PolarHBondContact OD1-N 3.44Å
214	C	96.5	Very high	97.1	Very high	17 Å²	17	44 Å²	44	12%	0.115	24%	0.241	C	C	.	.	S	Bend	trans	-59.6	128.8	176.8	-179.4	0	0	0	0	109.7	N209 D211 T216 A219	N209-C214 HydrophobicContact CB-CB 4.17Å; N209-C214 VanDerWaalsContact CG-SG 3.58Å; N209-C214 PolarHBondContact ND2-SG 3.34Å; D211-C214 HydrophobicContact CB-CB 4.17Å; D211-C214 VanDerWaalsContact O-CB 3.31Å; D211-C214 WeakPolarHBondContact O-CB 3.49Å; D211-C214 PolarHBondContact O-N 2.69Å; D211-C214 VanDerWaalsContact O-N 3.15Å; C214-T216 PolarHBondContact O-N 2.87Å; C214-A219 HydrophobicContact CB-CB 4.38Å
215	P	96.3	Very high	97.1	Very high	70 Å²	70	44.1 Å²	44.1	46%	0.455	24%	0.242	S	C	.	.			trans	-60	140.1	178.8	25.1	-34.3	0	0	0	110.3	S217 K218 A219	P215-S217 PolarHBondContact O-N 2.92Å; P215-K218 HydrophobicContact CG-CB 4.31Å; P215-K218 HydrophobicContact CG-CD 4.19Å; P215-K218 HydrophobicContact CG-CG 4.27Å; P215-K218 PolarHBondContact O-N 3.44Å; P215-A219 PolarHBondContact O-N 3.02Å
216	T	95	Very high	97.1	Very high	51 Å²	51	45.6 Å²	45.6	31%	0.313	25%	0.25	S	C	.	.	H	α-helix	trans	-50.1	-36.2	-177.9	-51.9	0	0	0	0	112.9	A171 C214 K218 A219 F220 F271	A171-T216 HydrophobicContact CB-CG2 3.56Å; C214-T216 PolarHBondContact O-N 2.87Å; T216-K218 PolarHBondContact O-N 3.49Å; T216-K218 VanDerWaalsContact O-N 3.12Å; T216-A219 PolarHBondContact O-N 3.28Å; T216-F220 HydrophobicContact CG2-CD2 4.37Å; T216-F220 HydrophobicContact CG2-CE2 3.99Å; T216-F271 HydrophobicContact CG2-CD1 3.95Å; T216-F271 HydrophobicContact CG2-CD2 3.42Å; T216-F271 VanDerWaalsContact CG2-CD2 3.42Å; T216-F271 HydrophobicContact CG2-CE1 3.9Å; T216-F271 HydrophobicContact CG2-CE2 3.36Å; T216-F271 HydrophobicContact CG2-CG 3.71Å; T216-F271 HydrophobicContact CG2-CZ 3.62Å; T216-F271 WeakPolarHBondContact O-CB 3.33Å
217	S	94.5	Very high	97.1	Very high	73 Å²	73	46.5 Å²	46.5	51%	0.51	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-9.6	178.4	57.2	0	0	0	0	115.4	P215	P215-S217 PolarHBondContact O-N 2.92Å
218	K	97.2	Very high	97.1	Very high	141 Å²	141	51.1 Å²	51.1	61%	0.613	29%	0.285	S	S	*	.	H	α-helix	trans	-127.5	-3.6	178.9	-60.1	-174.4	-179.6	-177.5	0	113.6	P215 T216 G268	P215-K218 HydrophobicContact CG-CB 4.31Å; P215-K218 HydrophobicContact CG-CD 4.19Å; P215-K218 HydrophobicContact CG-CG 4.27Å; P215-K218 PolarHBondContact O-N 3.44Å; T216-K218 PolarHBondContact O-N 3.49Å; T216-K218 VanDerWaalsContact O-N 3.12Å; K218-G268 WeakPolarHBondContact CA-O 3.31Å; K218-G268 VanDerWaalsContact O-CA 3.3Å; K218-G268 WeakPolarHBondContact O-CA 3.29Å
219	A	97.9	Very high	97.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-83.9	-19.8	-170.8	0	0	0	0	0	114.2	T208 N209 C214 P215 T216	T208-A219 PolarHBondContact N-O 2.86Å; N209-A219 PolarHBondContact N-O 2.94Å; C214-A219 HydrophobicContact CB-CB 4.38Å; P215-A219 PolarHBondContact O-N 3.02Å; T216-A219 PolarHBondContact O-N 3.28Å
220	F	98.6	Very high	97.2	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.5	-168.7	-60.7	-85.3	0	0	0	112.4	A171 L173 L205 A206 R207 T216 G268 A269 G270 F271	A171-F220 WeakPolarHBondContact O-CZ 3.46Å; L173-F220 HydrophobicContact CB-CE1 3.89Å; L173-F220 HydrophobicContact CB-CZ 4.44Å; L205-F220 HydrophobicContact CD1-CB 3.77Å; L205-F220 HydrophobicContact CG-CB 4.19Å; L205-F220 HydrophobicContact CG-CD1 4.41Å; A206-F220 CarbonylContact O-C 3.59Å; A206-F220 WeakPolarHBondContact O-CA 3.2Å; R207-F220 HydrophobicContact CB-CD1 3.96Å; R207-F220 HydrophobicContact CB-CE1 3.78Å; R207-F220 HydrophobicContact CG-CD1 4.44Å; R207-F220 HydrophobicContact CG-CE1 4.14Å; T216-F220 HydrophobicContact CG2-CD2 4.37Å; T216-F220 HydrophobicContact CG2-CE2 3.99Å; F220-G268 CarbonylContact O-C 2.98Å; F220-G268 WeakPolarHBondContact O-CA 3.3Å; F220-G268 PolarHBondContact O-N 3.15Å; F220-A269 PolarHBondContact O-N 3.27Å; F220-G270 WeakPolarHBondContact O-CA 3.3Å; F220-G270 PolarHBondContact O-N 2.79Å; F220-F271 HydrophobicContact CD2-CB 4.27Å; F220-F271 HydrophobicContact CD2-CD2 4.28Å
221	T	98.8	Very high	97.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.2	174.8	-58.7	0	0	0	0	109.6	A206 T208 F223 V263 E267 G268	A206-T221 PolarHBondContact N-O 3.48Å; A206-T221 VanDerWaalsContact N-O 3.12Å; A206-T221 PolarHBondContact O-N 3.24Å; T208-T221 HydrophobicContact CG2-CG2 4.43Å; T208-T221 WeakPolarHBondContact CG2-OG1 3.44Å; T208-T221 PolarHBondContact OG1-OG1 2.95Å; T221-F223 HydrophobicContact CG2-CD2 4.32Å; T221-F223 HydrophobicContact CG2-CE1 3.95Å; T221-F223 HydrophobicContact CG2-CE2 3.69Å; T221-F223 HydrophobicContact CG2-CZ 3.49Å; T221-F223 VanDerWaalsContact CG2-CZ 3.49Å; T221-F223 WeakPolarHBondContact O-CD2 3.19Å; T221-F223 WeakPolarHBondContact O-CE2 3.15Å; T221-V263 HydrophobicContact CG2-CG1 3.64Å; T221-V263 HydrophobicContact CG2-CG2 4.32Å; T221-E267 WeakPolarHBondContact OG1-CA 3.32Å; T221-E267 WeakPolarHBondContact OG1-CG 3.5Å; T221-G268 PolarHBondContact OG1-N 3.2Å
222	G	98.8	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.6	174.1	0	0	0	0	0	110	L204 L264	L204-G222 CarbonylContact O-C 3.55Å; L204-G222 WeakPolarHBondContact O-CA 3.46Å; G222-L264 PolarHBondContact O-N 3.47Å
223	F	98.9	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.5	-179.1	-59.1	-90.8	0	0	0	110.6	A177 Y184 F203 L204 A206 T208 T221 V225 I258 N262 V263	A177-F223 HydrophobicContact CB-CE2 3.78Å; A177-F223 HydrophobicContact CB-CZ 3.72Å; Y184-F223 HydrophobicContact CD1-CE1 4.03Å; Y184-F223 AromaticContact CD1-CZ 3.89Å; Y184-F223 HydrophobicContact CD1-CZ 3.89Å; Y184-F223 AromaticContact CD2-CE1 3.68Å; Y184-F223 HydrophobicContact CD2-CE1 3.68Å; Y184-F223 HydrophobicContact CD2-CZ 4.37Å; Y184-F223 HydrophobicContact CE1-CE1 4.47Å; Y184-F223 HydrophobicContact CE1-CZ 4.31Å; Y184-F223 HydrophobicContact CE2-CE1 4.15Å; Y184-F223 AromaticContact CG-CE1 3.6Å; Y184-F223 HydrophobicContact CG-CE1 3.6Å; Y184-F223 AromaticContact CG-CZ 3.92Å; Y184-F223 HydrophobicContact CG-CZ 3.92Å; F203-F223 CarbonylContact C-O 3.59Å; F203-F223 WeakPolarHBondContact CA-O 3.17Å; L204-F223 HydrophobicContact CB-CB 4.38Å; L204-F223 PolarHBondContact N-O 3.37Å; L204-F223 PolarHBondContact O-N 3.06Å; A206-F223 HydrophobicContact CB-CD2 4.42Å; A206-F223 HydrophobicContact CB-CE2 4.09Å; T208-F223 HydrophobicContact CG2-CE2 4.31Å; T208-F223 HydrophobicContact CG2-CZ 3.95Å; T221-F223 HydrophobicContact CG2-CD2 4.32Å; T221-F223 HydrophobicContact CG2-CE1 3.95Å; T221-F223 HydrophobicContact CG2-CE2 3.69Å; T221-F223 HydrophobicContact CG2-CZ 3.49Å; T221-F223 VanDerWaalsContact CG2-CZ 3.49Å; T221-F223 WeakPolarHBondContact O-CD2 3.19Å; T221-F223 WeakPolarHBondContact O-CE2 3.15Å; F223-V225 HydrophobicContact CB-CG2 4.12Å; F223-I258 HydrophobicContact CB-CD1 4.11Å; F223-I258 HydrophobicContact CB-CG2 4.4Å; F223-I258 HydrophobicContact CD1-CD1 4.22Å; F223-I258 HydrophobicContact CD1-CG2 3.95Å; F223-I258 HydrophobicContact CG-CD1 4.12Å; F223-N262 CarbonylContact C-O 3.54Å; F223-N262 WeakPolarHBondContact CA-O 3.45Å; F223-V263 HydrophobicContact CD1-CG2 3.88Å; F223-V263 HydrophobicContact CE1-CG2 3.6Å
224	I	98.9	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.7	159.7	-47.7	174.2	0	0	0	107.8	V134 Q142 Y146 W201 Y202 N262 L264	V134-I224 HydrophobicContact CG1-CD1 4.07Å; V134-I224 HydrophobicContact CG2-CD1 3.69Å; V134-I224 HydrophobicContact CG2-CG1 3.95Å; Q142-I224 HydrophobicContact CB-CD1 4.1Å; Q142-I224 HydrophobicContact CG-CD1 4.26Å; Y146-I224 HydrophobicContact CD1-CG2 3.44Å; Y146-I224 VanDerWaalsContact CD1-CG2 3.44Å; Y146-I224 HydrophobicContact CD2-CB 4.37Å; Y146-I224 HydrophobicContact CD2-CD1 3.38Å; Y146-I224 HydrophobicContact CD2-CG1 4.45Å; Y146-I224 HydrophobicContact CD2-CG2 3.89Å; Y146-I224 HydrophobicContact CE1-CB 4.37Å; Y146-I224 HydrophobicContact CE1-CG2 3.39Å; Y146-I224 HydrophobicContact CE2-CB 4.1Å; Y146-I224 HydrophobicContact CE2-CD1 3.69Å; Y146-I224 HydrophobicContact CE2-CG2 3.84Å; Y146-I224 HydrophobicContact CG-CD1 4Å; Y146-I224 HydrophobicContact CG-CG2 3.71Å; W201-I224 HydrophobicContact CD2-CG2 4.26Å; W201-I224 HydrophobicContact CE3-CG2 3.79Å; W201-I224 HydrophobicContact CZ3-CG2 4.43Å; Y202-I224 CarbonylContact O-C 3.6Å; Y202-I224 WeakPolarHBondContact O-CA 3.32Å; I224-N262 PolarHBondContact N-O 3.25Å; I224-N262 VanDerWaalsContact O-CB 3.27Å; I224-N262 WeakPolarHBondContact O-CB 3.41Å; I224-N262 PolarHBondContact O-ND2 3.22Å; I224-L264 HydrophobicContact CD1-CD2 3.97Å; I224-L264 HydrophobicContact CG1-CD1 4.41Å; I224-L264 HydrophobicContact CG1-CD2 4.1Å; I224-L264 HydrophobicContact CG1-CG 4.19Å
225	V	98.8	Very high	98.2	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	117	-176.9	-166	0	0	0	0	109.3	W201 Y202 L204 F223 I232 V256 I258	W201-V225 CarbonylContact C-O 3.58Å; W201-V225 WeakPolarHBondContact CA-O 3.45Å; W201-V225 WeakPolarHBondContact CB-O 3.47Å; Y202-V225 PolarHBondContact N-O 2.92Å; Y202-V225 PolarHBondContact O-N 3.39Å; L204-V225 HydrophobicContact CB-CG2 3.86Å; L204-V225 HydrophobicContact CD2-CG2 4Å; F223-V225 HydrophobicContact CB-CG2 4.12Å; V225-I232 HydrophobicContact CG1-CD1 3.76Å; V225-V256 HydrophobicContact CG1-CG1 4.22Å; V225-I258 HydrophobicContact CG1-CD1 4.39Å; V225-I258 HydrophobicContact CG1-CG1 4.26Å; V225-I258 HydrophobicContact CG2-CD1 3.51Å; V225-I258 HydrophobicContact CG2-CG1 4.12Å
226	D	98.8	Very high	98.3	Very high	31 Å²	31	49.1 Å²	49.1	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	136.2	172.7	-68.8	-62.1	0	0	0	109.1	K145 Y146 R149 D228 T229 I232	K145-D226 IonicContact NZ-OD2 3.42Å; Y146-D226 WeakPolarHBondContact CE1-OD1 3.5Å; Y146-D226 PolarHBondContact OH-OD2 3.3Å; R149-D226 IonicContact CZ-OD1 3.95Å; R149-D226 IonicContact NH1-OD1 3.79Å; R149-D226 PolarHBondContact NH1-OD1 3.44Å; R149-D226 IonicContact NH2-OD1 2.81Å; R149-D226 PolarHBondContact NH2-OD1 2.76Å; R149-D226 VanDerWaalsContact NH2-OD1 3.15Å; D226-D228 WeakPolarHBondContact CB-OD1 3.48Å; D226-D228 PolarHBondContact O-N 2.84Å; D226-T229 WeakPolarHBondContact O-CB 3.21Å; D226-T229 PolarHBondContact O-N 2.79Å; D226-T229 VanDerWaalsContact O-N 3.13Å; D226-T229 PolarHBondContact O-OG1 3.24Å; D226-I232 WeakPolarHBondContact O-CD1 3.19Å
227	A	98.7	Very high	98.5	Very high	18 Å²	18	48.8 Å²	48.8	15%	0.149	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.4	-167.4	0	0	0	0	0	114.5	A199 N200 Y202	A199-A227 WeakPolarHBondContact O-CB 3.43Å; N200-A227 WeakPolarHBondContact O-CB 3.37Å; N200-A227 PolarHBondContact O-N 2.99Å; Y202-A227 HydrophobicContact CD2-CB 4.19Å; Y202-A227 HydrophobicContact CE2-CB 3.44Å; Y202-A227 VanDerWaalsContact CE2-CB 3.44Å
228	D	98.5	Very high	98.7	Very high	139 Å²	139	46.9 Å²	46.9	74%	0.743	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3.8	175.5	63.2	-15.1	0	0	0	113.3	D226	D226-D228 WeakPolarHBondContact CB-OD1 3.48Å; D226-D228 PolarHBondContact O-N 2.84Å
229	T	98.8	Very high	98.7	Very high	29 Å²	29	47.9 Å²	47.9	18%	0.178	26%	0.256	C	S	.	.	S	Bend	trans	-58.9	126.3	176.5	-53.1	0	0	0	0	110.2	D226 G231 I232 V256 R257	D226-T229 WeakPolarHBondContact O-CB 3.21Å; D226-T229 PolarHBondContact O-N 2.79Å; D226-T229 VanDerWaalsContact O-N 3.13Å; D226-T229 PolarHBondContact O-OG1 3.24Å; T229-G231 PolarHBondContact O-N 2.89Å; T229-I232 WeakPolarHBondContact O-CG1 3.4Å; T229-I232 PolarHBondContact O-N 3.35Å; T229-V256 HydrophobicContact CG2-CG1 3.74Å; T229-R257 WeakPolarHBondContact CG2-O 3.26Å
230	P	98.8	Very high	98.7	Very high	110 Å²	110	50.7 Å²	50.7	71%	0.714	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	140.7	178.9	-28.1	35.5	0	0	0	112.9
231	G	98.6	Very high	98.7	Very high	28 Å²	28	55.7 Å²	55.7	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-12.4	-176.7	0	0	0	0	0	114.6	T229 E254 V256	T229-G231 PolarHBondContact O-N 2.89Å; G231-E254 VanDerWaalsContact CA-O 3.23Å; G231-E254 WeakPolarHBondContact CA-O 3.46Å; G231-E254 PolarHBondContact O-N 2.87Å; G231-V256 WeakPolarHBondContact O-CG2 3.44Å
232	I	98.9	Very high	98.7	Very high	26 Å²	26	56.2 Å²	56.2	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.4	171.2	-61.8	176.8	0	0	0	109.3	Y202 V225 D226 T229 I234 I251 F253 V256	Y202-I232 HydrophobicContact CD2-CD1 4.47Å; Y202-I232 HydrophobicContact CE2-CD1 4.33Å; Y202-I232 HydrophobicContact CE2-CG2 4.44Å; V225-I232 HydrophobicContact CG1-CD1 3.76Å; D226-I232 WeakPolarHBondContact O-CD1 3.19Å; T229-I232 WeakPolarHBondContact O-CG1 3.4Å; T229-I232 PolarHBondContact O-N 3.35Å; I232-I234 HydrophobicContact CG2-CG1 4.27Å; I232-I251 HydrophobicContact CG2-CG2 3.82Å; I232-F253 HydrophobicContact CD1-CE1 4.18Å; I232-F253 HydrophobicContact CG1-CD1 3.99Å; I232-F253 HydrophobicContact CG1-CE1 4.06Å; I232-V256 HydrophobicContact CD1-CG1 4.43Å; I232-V256 HydrophobicContact CG1-CG1 4.07Å; I232-V256 HydrophobicContact CG1-CG2 3.73Å
233	Q	98.8	Very high	98.7	Very high	95 Å²	95	56.9 Å²	56.9	44%	0.444	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.5	177.5	-60.6	173.8	38.7	0	0	109.3	T252 E254	Q233-T252 PolarHBondContact N-O 2.96Å; Q233-T252 PolarHBondContact O-N 3.05Å; Q233-E254 PolarHBondContact NE2-OE2 3.3Å
234	I	98.8	Very high	98.7	Very high	75 Å²	75	60.2 Å²	60.2	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.2	179.4	-60.7	167.3	0	0	0	108.8	I232 R249	I232-I234 HydrophobicContact CG2-CG1 4.27Å; I234-R249 VanDerWaalsContact CG2-CD 3.5Å
235	G	98.8	Very high	98.7	Very high	32 Å²	32	60.3 Å²	60.3	33%	0.33	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-175.4	178.3	0	0	0	0	0	113.9	R249 G250	G235-R249 WeakPolarHBondContact O-CD 3.49Å; G235-R249 PolarHBondContact O-NH1 3.07Å; G235-G250 WeakPolarHBondContact CA-O 3.49Å; G235-G250 PolarHBondContact N-O 3.13Å
236	R	98.8	Very high	98.7	Very high	180 Å²	180	60.5 Å²	60.5	68%	0.679	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	161.8	171.6	70.2	-178.6	-172.9	176.2	6.5	111.3	E238 R249	R236-E238 VanDerWaalsContact CG-OE1 3.28Å; R236-E238 WeakPolarHBondContact CG-OE1 3.31Å; R236-E238 IonicContact CZ-OE1 2.69Å; R236-E238 IonicContact CZ-OE2 2.89Å; R236-E238 IonicContact NE-OE1 3.25Å; R236-E238 PolarHBondContact NE-OE1 3.18Å; R236-E238 IonicContact NE-OE2 3.9Å; R236-E238 IonicContact NH2-OE1 2.67Å; R236-E238 IonicContact NH2-OE2 2.69Å; R236-E238 PolarHBondContact NH2-OE2 2.86Å; R236-R249 WeakPolarHBondContact O-CG 3.47Å
237	K	98.8	Very high	98.7	Very high	43 Å²	43	59.2 Å²	59.2	19%	0.187	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.2	163.9	-179.6	-177	163.9	89.1	0	108.8	G72 K244 S246	G72-K237 WeakPolarHBondContact O-CE 3.48Å; G72-K237 PolarHBondContact O-NZ 3.18Å; K237-K244 WeakPolarHBondContact CE-O 3.17Å; K237-K244 PolarHBondContact NZ-O 3.4Å; K237-S246 PolarHBondContact NZ-O 3.24Å
238	E	98.8	Very high	98.7	Very high	34 Å²	34	59.1 Å²	59.1	16%	0.159	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-80.9	139.6	174.2	-64.2	-56.4	136.1	0	0	111.3	M191 W192 R236 N240 T248	M191-E238 HydrophobicContact CE-CG 3.93Å; W192-E238 HydrophobicContact CE3-CG 4.4Å; W192-E238 HydrophobicContact CH2-CG 4.49Å; W192-E238 HydrophobicContact CZ3-CB 3.87Å; W192-E238 HydrophobicContact CZ3-CG 3.8Å; R236-E238 VanDerWaalsContact CG-OE1 3.28Å; R236-E238 WeakPolarHBondContact CG-OE1 3.31Å; R236-E238 IonicContact CZ-OE1 2.69Å; R236-E238 IonicContact CZ-OE2 2.89Å; R236-E238 IonicContact NE-OE1 3.25Å; R236-E238 PolarHBondContact NE-OE1 3.18Å; R236-E238 IonicContact NE-OE2 3.9Å; R236-E238 IonicContact NH2-OE1 2.67Å; R236-E238 IonicContact NH2-OE2 2.69Å; R236-E238 PolarHBondContact NH2-OE2 2.86Å; E238-N240 PolarHBondContact O-N 2.75Å; E238-T248 PolarHBondContact N-O 2.89Å
239	M	98.1	Very high	98.8	Very high	161 Å²	161	54.8 Å²	54.8	79%	0.793	29%	0.285	S	S	*	.			trans	-98.2	90.1	-177.7	-63.2	-58.9	-159.6	0	0	110.1
240	N	98.6	Very high	98.8	Very high	60 Å²	60	53.8 Å²	53.8	32%	0.321	28%	0.28	S	S	.	.			trans	-88.2	168.2	-176.6	-61.9	-32	0	0	0	112.6	E238	E238-N240 PolarHBondContact O-N 2.75Å
241	M	98.8	Very high	98.8	Very high	106 Å²	106	48.6 Å²	48.6	52%	0.522	25%	0.246	S	C	.	.	S	Bend	trans	-63	-45.2	179.4	-176.2	175.8	73.5	0	0	113.1	K244 R393 K396	M241-K244 VanDerWaalsContact O-CE 3.22Å; M241-K244 WeakPolarHBondContact O-CE 3.11Å; M241-R393 WeakPolarHBondContact CE-O 3.38Å; M241-R393 HydrophobicContact CG-CB 4.1Å; M241-R393 HydrophobicContact CG-CG 3.97Å; M241-R393 WeakPolarHBondContact O-CD 3.44Å; M241-R393 PolarHBondContact O-NH1 2.88Å; M241-R393 VanDerWaalsContact O-NH1 3.14Å; M241-K396 HydrophobicContact CE-CB 3.24Å; M241-K396 HydrophobicContact CE-CG 3.59Å
242	G	98.8	Very high	98.8	Very high	11 Å²	11	49.3 Å²	49.3	11%	0.113	25%	0.245	C	C	.	.	S	Bend	trans	-133.9	176.1	-178.2	0	0	0	0	0	111.5	K244 D394	G242-K244 PolarHBondContact O-N 2.76Å; G242-D394 VanDerWaalsContact CA-OD1 3.29Å; G242-D394 WeakPolarHBondContact CA-OD1 3.31Å
243	Q	98.9	Very high	98.8	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.065	24%	0.239	C	C	.	.			trans	53.4	35.5	-174.8	-64	-173.2	-17.6	0	0	112.5	T118 T122 C245 S246 D394 I397	T118-Q243 PolarHBondContact O-NE2 3.01Å; T118-Q243 PolarHBondContact OG1-NE2 3.18Å; T122-Q243 PolarHBondContact OG1-NE2 3.5Å; T122-Q243 VanDerWaalsContact OG1-NE2 3.1Å; T122-Q243 PolarHBondContact OG1-OE1 3.1Å; Q243-C245 PolarHBondContact O-N 2.92Å; Q243-C245 VanDerWaalsContact O-N 3.11Å; Q243-S246 WeakPolarHBondContact O-CB 3.46Å; Q243-S246 PolarHBondContact O-N 3.13Å; Q243-D394 HydrophobicContact CG-CB 4.38Å; Q243-D394 PolarHBondContact N-OD1 3.2Å; Q243-I397 HydrophobicContact CG-CG2 4.29Å
244	K	98.8	Very high	98.8	Very high	71 Å²	71	48.9 Å²	48.9	31%	0.309	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.9	-166.5	-66	176	-179.2	163.4	0	114.5	D69 G72 K237 M241 G242 S246 R393	D69-K244 WeakPolarHBondContact O-CB 3.17Å; D69-K244 VanDerWaalsContact O-CD 3.23Å; D69-K244 WeakPolarHBondContact O-CD 3.42Å; D69-K244 IonicContact OD2-NZ 3.7Å; G72-K244 WeakPolarHBondContact CA-O 3.46Å; K237-K244 WeakPolarHBondContact CE-O 3.17Å; K237-K244 PolarHBondContact NZ-O 3.4Å; M241-K244 VanDerWaalsContact O-CE 3.22Å; M241-K244 WeakPolarHBondContact O-CE 3.11Å; G242-K244 PolarHBondContact O-N 2.76Å; K244-S246 VanDerWaalsContact C-N 3.29Å; K244-R393 VanDerWaalsContact CE-NH1 3.31Å
245	C	98.8	Very high	98.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.7	176.7	64.5	0	0	0	0	113.6	Y68 E73 P75 Q243	Y68-C245 HydrophobicContact CD1-CB 4.41Å; Y68-C245 HydrophobicContact CG-CB 4.48Å; Y68-C245 WeakPolarHBondContact O-CB 3.43Å; E73-C245 WeakPolarHBondContact O-CA 3.29Å; E73-C245 VanDerWaalsContact O-CB 3.24Å; E73-C245 WeakPolarHBondContact O-CB 3.48Å; P75-C245 WeakPolarHBondContact CD-O 3.49Å; Q243-C245 PolarHBondContact O-N 2.92Å; Q243-C245 VanDerWaalsContact O-N 3.11Å
246	S	98.8	Very high	98.8	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.042	23%	0.233	C	C	.	.	S	Bend	trans	-66.3	143.4	168.7	-172.1	0	0	0	0	110.4	K237 Q243 K244	K237-S246 PolarHBondContact NZ-O 3.24Å; Q243-S246 WeakPolarHBondContact O-CB 3.46Å; Q243-S246 PolarHBondContact O-N 3.13Å; K244-S246 VanDerWaalsContact C-N 3.29Å
247	D	98.9	Very high	98.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.227	C	C	.	.			trans	-88.4	120.9	173.6	-175	84.4	0	0	0	109	Y74 T194 N195 G196 G197 K198 R249	Y74-D247 HydrophobicContact CD2-CB 3.75Å; Y74-D247 HydrophobicContact CE2-CB 3.89Å; T194-D247 CarbonylContact C-O 3.55Å; T194-D247 VanDerWaalsContact CA-O 3.23Å; T194-D247 WeakPolarHBondContact CA-O 3.2Å; N195-D247 PolarHBondContact N-O 2.99Å; G196-D247 PolarHBondContact N-OD2 2.9Å; G197-D247 WeakPolarHBondContact CA-OD2 3.35Å; G197-D247 PolarHBondContact N-OD2 2.68Å; K198-D247 HydrophobicContact CG-CB 3.9Å; D247-R249 IonicContact OD1-CZ 3.17Å; D247-R249 IonicContact OD1-NE 3.04Å; D247-R249 PolarHBondContact OD1-NE 3.04Å; D247-R249 IonicContact OD1-NH2 2.74Å; D247-R249 PolarHBondContact OD1-NH2 2.97Å; D247-R249 IonicContact OD2-NE 2.72Å; D247-R249 PolarHBondContact OD2-NE 3.41Å
248	T	98.9	Very high	98.8	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.6	177.6	-55	0	0	0	0	109.2	W192 I193 E238	W192-T248 HydrophobicContact CB-CG2 4.29Å; W192-T248 HydrophobicContact CE3-CG2 4.08Å; I193-T248 WeakPolarHBondContact O-CA 3.5Å; E238-T248 PolarHBondContact N-O 2.89Å
249	R	98.9	Very high	98.7	Very high	49 Å²	49	45 Å²	45	19%	0.185	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.5	-171	-54.3	-166.5	175.1	-131.1	-0.2	113.2	W192 I193 I234 G235 R236 D247	W192-R249 PolarHBondContact N-O 3.2Å; I193-R249 PolarHBondContact N-O 3.5Å; I193-R249 PolarHBondContact O-N 2.79Å; I193-R249 VanDerWaalsContact O-N 3.14Å; I234-R249 VanDerWaalsContact CG2-CD 3.5Å; G235-R249 WeakPolarHBondContact O-CD 3.49Å; G235-R249 PolarHBondContact O-NH1 3.07Å; R236-R249 WeakPolarHBondContact O-CG 3.47Å; D247-R249 IonicContact OD1-CZ 3.17Å; D247-R249 IonicContact OD1-NE 3.04Å; D247-R249 PolarHBondContact OD1-NE 3.04Å; D247-R249 IonicContact OD1-NH2 2.74Å; D247-R249 PolarHBondContact OD1-NH2 2.97Å; D247-R249 IonicContact OD2-NE 2.72Å; D247-R249 PolarHBondContact OD2-NE 3.41Å
250	G	98.9	Very high	98.7	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	150.9	155.5	0	0	0	0	0	111	K190 G235	K190-G250 CarbonylContact O-C 3.55Å; K190-G250 VanDerWaalsContact O-CA 3.32Å; K190-G250 WeakPolarHBondContact O-CA 3.45Å; G235-G250 WeakPolarHBondContact CA-O 3.49Å; G235-G250 PolarHBondContact N-O 3.13Å
251	I	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	121.8	175.8	-52.9	178.5	0	0	0	108.3	Q189 K190 I193 Y202 I232 F253	Q189-I251 WeakPolarHBondContact CA-O 3.32Å; K190-I251 PolarHBondContact N-O 3.13Å; K190-I251 PolarHBondContact O-N 3.4Å; I193-I251 HydrophobicContact CB-CD1 4Å; I193-I251 HydrophobicContact CB-CG1 4.43Å; I193-I251 HydrophobicContact CG1-CD1 4.13Å; I193-I251 HydrophobicContact CG1-CG1 4.35Å; I193-I251 HydrophobicContact CG2-CD1 3.86Å; Y202-I251 HydrophobicContact CD1-CD1 4.18Å; Y202-I251 HydrophobicContact CE1-CD1 3.55Å; I232-I251 HydrophobicContact CG2-CG2 3.82Å; I251-F253 HydrophobicContact CB-CE2 4.08Å; I251-F253 HydrophobicContact CB-CZ 4.48Å; I251-F253 HydrophobicContact CG2-CD2 4.31Å; I251-F253 HydrophobicContact CG2-CE1 4.49Å; I251-F253 HydrophobicContact CG2-CE2 3.66Å; I251-F253 HydrophobicContact CG2-CZ 3.75Å
252	T	98.9	Very high	98.7	Very high	44 Å²	44	40.2 Å²	40.2	27%	0.27	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.3	174	-58.3	0	0	0	0	109.3	Q233	Q233-T252 PolarHBondContact N-O 2.96Å; Q233-T252 PolarHBondContact O-N 3.05Å
253	F	98.9	Very high	98.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.3	172.6	-60.1	-99.2	0	0	0	106.4	V186 N187 G188 K190 L204 I232 I251 V256	V186-F253 HydrophobicContact CG1-CB 3.86Å; V186-F253 HydrophobicContact CG1-CD1 4.48Å; V186-F253 HydrophobicContact CG1-CG 4.23Å; N187-F253 CarbonylContact C-O 3.41Å; N187-F253 VanDerWaalsContact CA-O 3.29Å; N187-F253 WeakPolarHBondContact CA-O 3.44Å; G188-F253 PolarHBondContact N-O 3.1Å; G188-F253 PolarHBondContact O-N 3.48Å; K190-F253 HydrophobicContact CB-CE2 4.21Å; K190-F253 HydrophobicContact CG-CD2 4.32Å; K190-F253 HydrophobicContact CG-CE2 3.7Å; L204-F253 HydrophobicContact CD1-CE1 4.49Å; L204-F253 HydrophobicContact CD1-CE2 4.09Å; L204-F253 HydrophobicContact CD1-CZ 4.01Å; L204-F253 HydrophobicContact CD2-CD1 4.31Å; L204-F253 HydrophobicContact CD2-CE1 4.13Å; L204-F253 HydrophobicContact CD2-CZ 4.46Å; I232-F253 HydrophobicContact CD1-CE1 4.18Å; I232-F253 HydrophobicContact CG1-CD1 3.99Å; I232-F253 HydrophobicContact CG1-CE1 4.06Å; I251-F253 HydrophobicContact CB-CE2 4.08Å; I251-F253 HydrophobicContact CB-CZ 4.48Å; I251-F253 HydrophobicContact CG2-CD2 4.31Å; I251-F253 HydrophobicContact CG2-CE1 4.49Å; I251-F253 HydrophobicContact CG2-CE2 3.66Å; I251-F253 HydrophobicContact CG2-CZ 3.75Å; F253-V256 HydrophobicContact CB-CB 4.36Å; F253-V256 HydrophobicContact CB-CG2 3.85Å; F253-V256 HydrophobicContact CD1-CB 4.28Å; F253-V256 HydrophobicContact CD1-CG1 4.31Å; F253-V256 HydrophobicContact CD1-CG2 3.96Å; F253-V256 HydrophobicContact CG-CG2 4.38Å
254	E	98.8	Very high	98.7	Very high	109 Å²	109	39.8 Å²	39.8	51%	0.509	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.2	177.6	-174.2	172.7	-171.4	0	0	108.7	G231 Q233 V256	G231-E254 VanDerWaalsContact CA-O 3.23Å; G231-E254 WeakPolarHBondContact CA-O 3.46Å; G231-E254 PolarHBondContact O-N 2.87Å; Q233-E254 PolarHBondContact NE2-OE2 3.3Å; E254-V256 PolarHBondContact O-N 3.16Å; E254-V256 VanDerWaalsContact O-N 3.12Å
255	D	98.6	Very high	98.7	Very high	97 Å²	97	42 Å²	42	52%	0.519	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.9	36.4	-175.8	-65.8	-38.9	0	0	0	115	V185 V186 N187 R257	V185-D255 HydrophobicContact CG1-CB 4.14Å; V186-D255 PolarHBondContact O-N 3.39Å; N187-D255 PolarHBondContact ND2-OD1 3.23Å; N187-D255 PolarHBondContact OD1-N 3.16Å; D255-R257 PolarHBondContact O-N 3.34Å
256	V	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	121	-179.6	175.2	0	0	0	0	109.7	V185 V186 V225 T229 G231 I232 F253 E254 I258	V185-V256 CarbonylContact C-O 3.59Å; V185-V256 WeakPolarHBondContact CA-O 3.43Å; V186-V256 HydrophobicContact CB-CB 4.34Å; V186-V256 PolarHBondContact N-O 2.81Å; V186-V256 PolarHBondContact O-N 2.86Å; V186-V256 VanDerWaalsContact O-N 3.08Å; V225-V256 HydrophobicContact CG1-CG1 4.22Å; T229-V256 HydrophobicContact CG2-CG1 3.74Å; G231-V256 WeakPolarHBondContact O-CG2 3.44Å; I232-V256 HydrophobicContact CD1-CG1 4.43Å; I232-V256 HydrophobicContact CG1-CG1 4.07Å; I232-V256 HydrophobicContact CG1-CG2 3.73Å; F253-V256 HydrophobicContact CB-CB 4.36Å; F253-V256 HydrophobicContact CB-CG2 3.85Å; F253-V256 HydrophobicContact CD1-CB 4.28Å; F253-V256 HydrophobicContact CD1-CG1 4.31Å; F253-V256 HydrophobicContact CD1-CG2 3.96Å; F253-V256 HydrophobicContact CG-CG2 4.38Å; E254-V256 PolarHBondContact O-N 3.16Å; E254-V256 VanDerWaalsContact O-N 3.12Å; V256-I258 HydrophobicContact CG1-CG1 4.19Å
257	R	98.8	Very high	98.6	Very high	144 Å²	144	48.5 Å²	48.5	54%	0.543	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118	-177.3	-54.9	-176.6	74.5	-159.5	-0.2	110.4	E183 Y184 V185 T229 D255	E183-R257 IonicContact OE1-NH2 3.21Å; E183-R257 IonicContact OE2-CZ 3.34Å; E183-R257 IonicContact OE2-NE 2.86Å; E183-R257 PolarHBondContact OE2-NE 3.26Å; E183-R257 IonicContact OE2-NH1 2.7Å; E183-R257 IonicContact OE2-NH2 3.87Å; E183-R257 PolarHBondContact OE2-NH2 2.97Å; Y184-R257 CarbonylContact O-C 3.59Å; Y184-R257 WeakPolarHBondContact O-CA 3.44Å; V185-R257 HydrophobicContact CG2-CG 4.47Å; T229-R257 WeakPolarHBondContact CG2-O 3.26Å; D255-R257 PolarHBondContact O-N 3.34Å
258	I	98.6	Very high	98.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.9	-178	-54.8	169.5	0	0	0	108.9	E183 Y184 V186 L204 F223 V225 V256 N262	E183-I258 CarbonylContact C-O 3.45Å; E183-I258 VanDerWaalsContact CA-O 3.24Å; E183-I258 WeakPolarHBondContact CA-O 3.17Å; E183-I258 WeakPolarHBondContact CB-O 3.17Å; Y184-I258 PolarHBondContact N-O 2.75Å; Y184-I258 PolarHBondContact O-N 3.21Å; V186-I258 HydrophobicContact CB-CD1 4.36Å; V186-I258 HydrophobicContact CG2-CD1 3.42Å; V186-I258 VanDerWaalsContact CG2-CD1 3.42Å; V186-I258 HydrophobicContact CG2-CG1 4.29Å; L204-I258 HydrophobicContact CD2-CD1 4.13Å; F223-I258 HydrophobicContact CB-CD1 4.11Å; F223-I258 HydrophobicContact CB-CG2 4.4Å; F223-I258 HydrophobicContact CD1-CD1 4.22Å; F223-I258 HydrophobicContact CD1-CG2 3.95Å; F223-I258 HydrophobicContact CG-CD1 4.12Å; V225-I258 HydrophobicContact CG1-CD1 4.39Å; V225-I258 HydrophobicContact CG1-CG1 4.26Å; V225-I258 HydrophobicContact CG2-CD1 3.51Å; V225-I258 HydrophobicContact CG2-CG1 4.12Å; V256-I258 HydrophobicContact CG1-CG1 4.19Å; I258-N262 HydrophobicContact CG2-CB 3.69Å
259	P	98.3	Very high	98.5	Very high	39 Å²	39	49.1 Å²	49.1	25%	0.253	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	148.1	179.1	29.6	-35.8	0	0	0	111.8	E261 N262	P259-E261 HydrophobicContact CB-CG 3.97Å; P259-E261 HydrophobicContact CG-CG 4.03Å; P259-E261 PolarHBondContact O-N 3.4Å; P259-E261 VanDerWaalsContact O-N 3.1Å; P259-N262 HydrophobicContact CG-CB 4.25Å; P259-N262 WeakPolarHBondContact O-CB 3.31Å; P259-N262 PolarHBondContact O-N 2.91Å
260	K	98	Very high	98.4	Very high	102 Å²	102	46.8 Å²	46.8	44%	0.443	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-56.5	-28.8	-179.8	66.7	-176.9	175.1	-170.6	0	113.5	D182 N262 V263	D182-K260 HydrophobicContact CB-CD 4.14Å; D182-K260 VanDerWaalsContact O-CB 3.27Å; D182-K260 WeakPolarHBondContact O-CB 3.44Å; D182-K260 WeakPolarHBondContact O-CG 3.42Å; D182-K260 PolarHBondContact O-N 3.1Å; D182-K260 WeakPolarHBondContact OD1-CE 3.41Å; D182-K260 IonicContact OD1-NZ 2.7Å; D182-K260 PolarHBondContact OD1-NZ 3.49Å; D182-K260 IonicContact OD2-NZ 3.21Å; K260-N262 PolarHBondContact O-N 3.32Å; K260-V263 WeakPolarHBondContact O-CB 3.31Å; K260-V263 WeakPolarHBondContact O-CG2 3.32Å; K260-V263 PolarHBondContact O-N 3.44Å; K260-V263 VanDerWaalsContact O-N 3.15Å
261	E	98.3	Very high	98.3	Very high	119 Å²	119	48.6 Å²	48.6	56%	0.556	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-67.4	-15.1	177.2	70.6	-155.4	-144	0	0	113.6	Q142 P259	Q142-E261 PolarHBondContact NE2-O 2.93Å; P259-E261 HydrophobicContact CB-CG 3.97Å; P259-E261 HydrophobicContact CG-CG 4.03Å; P259-E261 PolarHBondContact O-N 3.4Å; P259-E261 VanDerWaalsContact O-N 3.1Å
262	N	98.7	Very high	98.3	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.032	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-90.2	2.6	174.5	-81.7	13.2	0	0	0	113.2	Y146 F223 I224 I258 P259 K260	Y146-N262 PolarHBondContact OH-ND2 2.95Å; Y146-N262 PolarHBondContact OH-OD1 3.16Å; F223-N262 CarbonylContact C-O 3.54Å; F223-N262 WeakPolarHBondContact CA-O 3.45Å; I224-N262 PolarHBondContact N-O 3.25Å; I224-N262 VanDerWaalsContact O-CB 3.27Å; I224-N262 WeakPolarHBondContact O-CB 3.41Å; I224-N262 PolarHBondContact O-ND2 3.22Å; I258-N262 HydrophobicContact CG2-CB 3.69Å; P259-N262 HydrophobicContact CG-CB 4.25Å; P259-N262 WeakPolarHBondContact O-CB 3.31Å; P259-N262 PolarHBondContact O-N 2.91Å; K260-N262 PolarHBondContact O-N 3.32Å
263	V	98.8	Very high	98.2	Very high	16 Å²	16	55 Å²	55	10%	0.097	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-74.3	127.5	171.8	174.3	0	0	0	0	110	Q142 Y184 T221 F223 K260	Q142-V263 PolarHBondContact NE2-O 2.85Å; Y184-V263 HydrophobicContact CD2-CG2 4.06Å; Y184-V263 HydrophobicContact CE2-CG2 3.54Å; T221-V263 HydrophobicContact CG2-CG1 3.64Å; T221-V263 HydrophobicContact CG2-CG2 4.32Å; F223-V263 HydrophobicContact CD1-CG2 3.88Å; F223-V263 HydrophobicContact CE1-CG2 3.6Å; K260-V263 WeakPolarHBondContact O-CB 3.31Å; K260-V263 WeakPolarHBondContact O-CG2 3.32Å; K260-V263 PolarHBondContact O-N 3.44Å; K260-V263 VanDerWaalsContact O-N 3.15Å
264	L	98.7	Very high	98.1	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-80.9	122.1	173.3	-68.1	172.3	0	0	0	110.4	P133 V134 A137 F203 G222 I224 A266 I273	P133-L264 HydrophobicContact CB-CD1 3.92Å; V134-L264 HydrophobicContact CG2-CD2 4.44Å; A137-L264 HydrophobicContact CB-CB 4.35Å; F203-L264 HydrophobicContact CD2-CD1 3.71Å; F203-L264 HydrophobicContact CE2-CD1 3.8Å; G222-L264 PolarHBondContact O-N 3.47Å; I224-L264 HydrophobicContact CD1-CD2 3.97Å; I224-L264 HydrophobicContact CG1-CD1 4.41Å; I224-L264 HydrophobicContact CG1-CD2 4.1Å; I224-L264 HydrophobicContact CG1-CG 4.19Å; L264-A266 VanDerWaalsContact C-N 3.29Å; L264-A266 PolarHBondContact O-N 3.06Å; L264-I273 HydrophobicContact CB-CD1 3.77Å
265	I	98.1	Very high	97.8	Very high	117 Å²	117	52.7 Å²	52.7	60%	0.6	26%	0.261	S	S	*	.	S	Bend	trans	62.6	-77.1	-174.4	-57.1	176.4	0	0	0	113.2	A137 A269 I273	A137-I265 HydrophobicContact CB-CD1 3.66Å; A137-I265 HydrophobicContact CB-CG1 3.79Å; A137-I265 WeakPolarHBondContact O-CG1 3.47Å; I265-A269 HydrophobicContact CB-CB 3.97Å; I265-A269 HydrophobicContact CG2-CB 4.08Å; I265-I273 HydrophobicContact CB-CD1 4.4Å; I265-I273 HydrophobicContact CD1-CD1 3.95Å; I265-I273 HydrophobicContact CD1-CG1 3.98Å; I265-I273 HydrophobicContact CG1-CD1 4.15Å
266	A	97.5	Very high	97.7	Very high	47 Å²	47	49.3 Å²	49.3	39%	0.388	25%	0.249	S	C	.	.	S	Bend	trans	-168.3	163.9	-173.4	0	0	0	0	0	110.4	L264 G268 A269	L264-A266 VanDerWaalsContact C-N 3.29Å; L264-A266 PolarHBondContact O-N 3.06Å; A266-G268 PolarHBondContact O-N 2.83Å; A266-A269 WeakPolarHBondContact O-CB 3.29Å; A266-A269 PolarHBondContact O-N 3.38Å
267	E	97.8	Very high	97.6	Very high	98 Å²	98	49.3 Å²	49.3	46%	0.458	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	132.9	169.6	-164.5	-175.4	140.1	0	0	110.7	Y184 T208 T221 A269	Y184-E267 PolarHBondContact OH-OE2 2.76Å; T208-E267 HydrophobicContact CG2-CG 4.19Å; T208-E267 WeakPolarHBondContact OG1-CG 3.28Å; T221-E267 WeakPolarHBondContact OG1-CA 3.32Å; T221-E267 WeakPolarHBondContact OG1-CG 3.5Å; E267-A269 VanDerWaalsContact C-N 3.35Å; E267-A269 PolarHBondContact O-N 3.28Å
268	G	97.6	Very high	97.5	Very high	10 Å²	10	43.3 Å²	43.3	10%	0.103	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-9.8	-179.2	0	0	0	0	0	115.3	K218 F220 T221 A266 G270	K218-G268 WeakPolarHBondContact CA-O 3.31Å; K218-G268 VanDerWaalsContact O-CA 3.3Å; K218-G268 WeakPolarHBondContact O-CA 3.29Å; F220-G268 CarbonylContact O-C 2.98Å; F220-G268 WeakPolarHBondContact O-CA 3.3Å; F220-G268 PolarHBondContact O-N 3.15Å; T221-G268 PolarHBondContact OG1-N 3.2Å; A266-G268 PolarHBondContact O-N 2.83Å; G268-G270 VanDerWaalsContact C-N 3.32Å; G268-G270 PolarHBondContact O-N 3.29Å
269	A	98.1	Very high	97.4	Very high	22 Å²	22	44.1 Å²	44.1	18%	0.182	23%	0.231	C	C	.	.			trans	-79.7	-10.9	179.9	0	0	0	0	0	114.2	F220 I265 A266 E267 F271 K272 I273	F220-A269 PolarHBondContact O-N 3.27Å; I265-A269 HydrophobicContact CB-CB 3.97Å; I265-A269 HydrophobicContact CG2-CB 4.08Å; A266-A269 WeakPolarHBondContact O-CB 3.29Å; A266-A269 PolarHBondContact O-N 3.38Å; E267-A269 VanDerWaalsContact C-N 3.35Å; E267-A269 PolarHBondContact O-N 3.28Å; A269-F271 PolarHBondContact O-N 2.77Å; A269-K272 PolarHBondContact O-N 3.28Å; A269-I273 HydrophobicContact CB-CD1 4.08Å; A269-I273 WeakPolarHBondContact O-CG1 3.39Å; A269-I273 PolarHBondContact O-N 2.89Å
270	G	98.2	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-40.9	-166.1	0	0	0	0	0	114.6	L205 F220 G268 K272 I273 A274	L205-G270 VanDerWaalsContact CD1-C 3.42Å; L205-G270 WeakPolarHBondContact CD1-O 3.48Å; F220-G270 WeakPolarHBondContact O-CA 3.3Å; F220-G270 PolarHBondContact O-N 2.79Å; G268-G270 VanDerWaalsContact C-N 3.32Å; G268-G270 PolarHBondContact O-N 3.29Å; G270-K272 PolarHBondContact O-N 2.86Å; G270-I273 PolarHBondContact O-N 2.97Å; G270-A274 WeakPolarHBondContact O-CB 3.46Å; G270-A274 PolarHBondContact O-N 2.81Å
271	F	96.9	Very high	97.4	Very high	46 Å²	46	38.5 Å²	38.5	20%	0.202	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-40.9	-178.4	-170.2	-96.6	0	0	0	112	V170 T216 F220 A269 I273 A274 M275	V170-F271 HydrophobicContact CB-CE2 4.08Å; V170-F271 HydrophobicContact CG1-CD2 4.1Å; V170-F271 HydrophobicContact CG1-CE2 3.83Å; T216-F271 HydrophobicContact CG2-CD1 3.95Å; T216-F271 HydrophobicContact CG2-CD2 3.42Å; T216-F271 VanDerWaalsContact CG2-CD2 3.42Å; T216-F271 HydrophobicContact CG2-CE1 3.9Å; T216-F271 HydrophobicContact CG2-CE2 3.36Å; T216-F271 HydrophobicContact CG2-CG 3.71Å; T216-F271 HydrophobicContact CG2-CZ 3.62Å; T216-F271 WeakPolarHBondContact O-CB 3.33Å; F220-F271 HydrophobicContact CD2-CB 4.27Å; F220-F271 HydrophobicContact CD2-CD2 4.28Å; A269-F271 PolarHBondContact O-N 2.77Å; F271-I273 VanDerWaalsContact C-N 3.34Å; F271-A274 PolarHBondContact O-N 3.31Å; F271-M275 HydrophobicContact CD1-CG 3.96Å; F271-M275 HydrophobicContact CE1-CG 3.62Å; F271-M275 HydrophobicContact CE1-SD 4.34Å; F271-M275 HydrophobicContact CE2-CE 4.29Å; F271-M275 HydrophobicContact CZ-CE 4.34Å; F271-M275 HydrophobicContact CZ-CG 3.95Å; F271-M275 HydrophobicContact CZ-SD 4.1Å; F271-M275 WeakPolarHBondContact O-CB 3.35Å; F271-M275 VanDerWaalsContact O-CG 3.29Å; F271-M275 WeakPolarHBondContact O-CG 3.37Å; F271-M275 PolarHBondContact O-N 2.98Å
272	K	97.1	Very high	97.5	Very high	170 Å²	170	33.5 Å²	33.5	74%	0.739	18%	0.18	S	C	*	.	H	α-helix	trans	-65.4	-39.6	177.3	-175.3	179.6	176	-175.1	0	111.2	A269 G270 M275 G276	A269-K272 PolarHBondContact O-N 3.28Å; G270-K272 PolarHBondContact O-N 2.86Å; K272-M275 PolarHBondContact O-N 3.15Å; K272-G276 PolarHBondContact O-N 3.46Å
273	I	97.9	Very high	97.5	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-51.1	177.1	-62.5	165.6	0	0	0	110.2	P133 A137 F203 L264 I265 A269 G270 F271 M275 G276 A277	P133-I273 HydrophobicContact CB-CG2 3.72Å; A137-I273 HydrophobicContact CB-CB 4.43Å; A137-I273 HydrophobicContact CB-CD1 3.76Å; A137-I273 HydrophobicContact CB-CG1 3.72Å; A137-I273 HydrophobicContact CB-CG2 3.85Å; F203-I273 HydrophobicContact CE2-CG2 4.3Å; L264-I273 HydrophobicContact CB-CD1 3.77Å; I265-I273 HydrophobicContact CB-CD1 4.4Å; I265-I273 HydrophobicContact CD1-CD1 3.95Å; I265-I273 HydrophobicContact CD1-CG1 3.98Å; I265-I273 HydrophobicContact CG1-CD1 4.15Å; A269-I273 HydrophobicContact CB-CD1 4.08Å; A269-I273 WeakPolarHBondContact O-CG1 3.39Å; A269-I273 PolarHBondContact O-N 2.89Å; G270-I273 PolarHBondContact O-N 2.97Å; F271-I273 VanDerWaalsContact C-N 3.34Å; I273-M275 VanDerWaalsContact C-N 3.35Å; I273-M275 PolarHBondContact O-N 3.02Å; I273-G276 PolarHBondContact O-N 3.16Å; I273-A277 PolarHBondContact O-N 2.95Å
274	A	95.5	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-45.6	177.8	0	0	0	0	0	112.2	Y159 L205 G270 F271 A277 F278	Y159-A274 WeakPolarHBondContact OH-CA 3.46Å; Y159-A274 VanDerWaalsContact OH-CB 3.27Å; Y159-A274 WeakPolarHBondContact OH-CB 3.36Å; L205-A274 HydrophobicContact CD2-CB 4.11Å; G270-A274 WeakPolarHBondContact O-CB 3.46Å; G270-A274 PolarHBondContact O-N 2.81Å; F271-A274 PolarHBondContact O-N 3.31Å; A274-A277 PolarHBondContact O-N 3.02Å; A274-F278 VanDerWaalsContact O-CD2 3.28Å; A274-F278 WeakPolarHBondContact O-CD2 3.28Å
275	M	93.3	Very high	97.5	Very high	62 Å²	62	32.9 Å²	32.9	31%	0.305	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-37.5	177.5	-66.4	-56.2	101.8	0	0	112.8	V170 F271 K272 I273 A277 F278	V170-M275 HydrophobicContact CB-CE 4.48Å; V170-M275 HydrophobicContact CG1-CE 4.24Å; V170-M275 HydrophobicContact CG2-CE 4.37Å; F271-M275 HydrophobicContact CD1-CG 3.96Å; F271-M275 HydrophobicContact CE1-CG 3.62Å; F271-M275 HydrophobicContact CE1-SD 4.34Å; F271-M275 HydrophobicContact CE2-CE 4.29Å; F271-M275 HydrophobicContact CZ-CE 4.34Å; F271-M275 HydrophobicContact CZ-CG 3.95Å; F271-M275 HydrophobicContact CZ-SD 4.1Å; F271-M275 WeakPolarHBondContact O-CB 3.35Å; F271-M275 VanDerWaalsContact O-CG 3.29Å; F271-M275 WeakPolarHBondContact O-CG 3.37Å; F271-M275 PolarHBondContact O-N 2.98Å; K272-M275 PolarHBondContact O-N 3.15Å; I273-M275 VanDerWaalsContact C-N 3.35Å; I273-M275 PolarHBondContact O-N 3.02Å; M275-A277 VanDerWaalsContact C-N 3.34Å; M275-F278 HydrophobicContact CE-CD2 3.86Å; M275-F278 HydrophobicContact CE-CE2 3.57Å; M275-F278 PolarHBondContact O-N 3.34Å; M275-F278 HydrophobicContact SD-CD2 4.27Å
276	G	95.7	Very high	97.5	Very high	26 Å²	26	27.4 Å²	27.4	27%	0.268	15%	0.148	S	C	.	.	H	α-helix	trans	-68.5	-31.5	177.2	0	0	0	0	0	113.3	K272 I273 F278 D279 N280	K272-G276 PolarHBondContact O-N 3.46Å; I273-G276 PolarHBondContact O-N 3.16Å; G276-F278 VanDerWaalsContact C-N 3.31Å; G276-F278 PolarHBondContact O-N 3.15Å; G276-D279 PolarHBondContact O-N 3.12Å; G276-N280 PolarHBondContact O-ND2 3.33Å; G276-N280 VanDerWaalsContact O-ND2 3.14Å
277	A	97.5	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-40.8	173.5	0	0	0	0	0	111.5	M132 P133 I273 A274 M275 D279 N280 T281	M132-A277 HydrophobicContact CB-CB 4.16Å; M132-A277 HydrophobicContact CG-CB 3.92Å; P133-A277 HydrophobicContact CG-CB 4.17Å; I273-A277 PolarHBondContact O-N 2.95Å; A274-A277 PolarHBondContact O-N 3.02Å; M275-A277 VanDerWaalsContact C-N 3.34Å; A277-D279 VanDerWaalsContact C-N 3.27Å; A277-D279 PolarHBondContact O-N 3.49Å; A277-N280 PolarHBondContact O-N 3.02Å; A277-T281 WeakPolarHBondContact O-CG2 3.24Å; A277-T281 PolarHBondContact O-N 3.12Å; A277-T281 PolarHBondContact O-OG1 2.97Å
278	F	97	Very high	97.6	Very high	17 Å²	17	20.5 Å²	20.5	8%	0.075	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-28.3	-179.3	-71	-51.4	0	0	0	115	Y159 A274 M275 G276 N280 T281 R282 E402	Y159-F278 HydrophobicContact CE1-CZ 4.3Å; A274-F278 VanDerWaalsContact O-CD2 3.28Å; A274-F278 WeakPolarHBondContact O-CD2 3.28Å; M275-F278 HydrophobicContact CE-CD2 3.86Å; M275-F278 HydrophobicContact CE-CE2 3.57Å; M275-F278 PolarHBondContact O-N 3.34Å; M275-F278 HydrophobicContact SD-CD2 4.27Å; G276-F278 VanDerWaalsContact C-N 3.31Å; G276-F278 PolarHBondContact O-N 3.15Å; F278-N280 PolarHBondContact O-N 3.06Å; F278-T281 WeakPolarHBondContact CA-OG1 3.43Å; F278-T281 PolarHBondContact O-N 3.45Å; F278-R282 HydrophobicContact CB-CG 4.4Å; F278-R282 VanDerWaalsContact O-CB 3.26Å; F278-R282 WeakPolarHBondContact O-CB 3.43Å; F278-R282 VanDerWaalsContact O-CG 3.28Å; F278-R282 WeakPolarHBondContact O-CG 3.39Å; F278-R282 PolarHBondContact O-N 3.16Å; F278-E402 VanDerWaalsContact CD1-OE2 3.3Å; F278-E402 WeakPolarHBondContact CD1-OE2 2.98Å; F278-E402 WeakPolarHBondContact CE1-OE1 3.17Å; F278-E402 WeakPolarHBondContact CE1-OE2 3.02Å
279	D	97.3	Very high	97.7	Very high	20 Å²	20	20 Å²	20	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-64.6	-26	174.8	-84.4	7.2	0	0	0	111.3	G276 A277 R350 N351 T352	G276-D279 PolarHBondContact O-N 3.12Å; A277-D279 VanDerWaalsContact C-N 3.27Å; A277-D279 PolarHBondContact O-N 3.49Å; D279-R350 WeakPolarHBondContact OD2-CG 3.26Å; D279-N351 WeakPolarHBondContact CA-OD1 3.41Å; D279-N351 WeakPolarHBondContact CB-OD1 3.41Å; D279-N351 VanDerWaalsContact CG-OD1 3.29Å; D279-N351 PolarHBondContact O-ND2 3.08Å; D279-N351 PolarHBondContact O-OD1 3.1Å; D279-N351 VanDerWaalsContact O-OD1 3.04Å; D279-T352 VanDerWaalsContact CG-OG1 3.22Å; D279-T352 VanDerWaalsContact OD1-CA 3.24Å; D279-T352 WeakPolarHBondContact OD1-CA 3.27Å; D279-T352 WeakPolarHBondContact OD1-CB 3.46Å; D279-T352 PolarHBondContact OD1-OG1 2.95Å; D279-T352 PolarHBondContact OD2-OG1 2.91Å
280	N	98.3	Very high	97.7	Very high	22 Å²	22	19 Å²	19	12%	0.118	10%	0.095	C	C	.	.	H	α-helix	trans	-97	-28.1	178.8	-64.5	-91.4	0	0	0	113	I103 M132 G276 A277 F278 P284 V345	I103-N280 HydrophobicContact CD1-CB 3.96Å; I103-N280 HydrophobicContact CG1-CB 4.46Å; M132-N280 HydrophobicContact CE-CB 3.61Å; M132-N280 HydrophobicContact CG-CB 3.88Å; M132-N280 HydrophobicContact SD-CB 3.56Å; M132-N280 VanDerWaalsContact SD-CB 3.56Å; G276-N280 PolarHBondContact O-ND2 3.33Å; G276-N280 VanDerWaalsContact O-ND2 3.14Å; A277-N280 PolarHBondContact O-N 3.02Å; F278-N280 PolarHBondContact O-N 3.06Å; N280-P284 VanDerWaalsContact O-CD 3.23Å; N280-P284 WeakPolarHBondContact O-CD 3.24Å; N280-V345 VanDerWaalsContact OD1-CG2 3.26Å; N280-V345 WeakPolarHBondContact OD1-CG2 3.49Å
281	T	98.1	Very high	97.8	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-96.5	-23.5	-174.8	64.4	0	0	0	0	114.1	L129 M132 A277 F278 P284 V285 E402	L129-T281 HydrophobicContact CD1-CG2 3.83Å; M132-T281 HydrophobicContact CB-CG2 4.04Å; M132-T281 HydrophobicContact CG-CG2 4.19Å; A277-T281 WeakPolarHBondContact O-CG2 3.24Å; A277-T281 PolarHBondContact O-N 3.12Å; A277-T281 PolarHBondContact O-OG1 2.97Å; F278-T281 WeakPolarHBondContact CA-OG1 3.43Å; F278-T281 PolarHBondContact O-N 3.45Å; T281-P284 WeakPolarHBondContact O-CD 3.42Å; T281-V285 WeakPolarHBondContact O-CG2 3.3Å; T281-V285 PolarHBondContact O-N 3.41Å; T281-E402 PolarHBondContact OG1-OE2 3.4Å
282	R	98.6	Very high	97.9	Very high	14 Å²	14	16.8 Å²	16.8	5%	0.053	9%	0.085	C	C	.	.	H	α-helix	trans	-66.4	-37.6	176	-76.3	179.7	-172.3	142.3	11.4	114.4	F278 V285 A286 A355 K359 E402	F278-R282 HydrophobicContact CB-CG 4.4Å; F278-R282 VanDerWaalsContact O-CB 3.26Å; F278-R282 WeakPolarHBondContact O-CB 3.43Å; F278-R282 VanDerWaalsContact O-CG 3.28Å; F278-R282 WeakPolarHBondContact O-CG 3.39Å; F278-R282 PolarHBondContact O-N 3.16Å; R282-V285 PolarHBondContact O-N 3.24Å; R282-A286 PolarHBondContact O-N 3.26Å; R282-A355 HydrophobicContact CB-CB 4.1Å; R282-K359 HydrophobicContact CB-CB 4.38Å; R282-K359 HydrophobicContact CG-CG 4.46Å; R282-E402 PolarHBondContact NE-O 3.13Å
283	P	98.9	Very high	98	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.6	-47.2	176.7	-17	28.6	0	0	0	112.8	I103 V285 A286 A287 S341 A342 A355	I103-P283 HydrophobicContact CG2-CB 4.1Å; I103-P283 HydrophobicContact CG2-CG 4.18Å; P283-V285 VanDerWaalsContact C-N 3.34Å; P283-V285 PolarHBondContact O-N 3.12Å; P283-A286 WeakPolarHBondContact O-CB 3.3Å; P283-A286 PolarHBondContact O-N 3.41Å; P283-A286 VanDerWaalsContact O-N 3.13Å; P283-A287 PolarHBondContact O-N 3.44Å; P283-S341 WeakPolarHBondContact CG-OG 3.47Å; P283-A342 HydrophobicContact CB-CB 4.15Å; P283-A355 HydrophobicContact CG-CB 4.47Å
284	P	98.8	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.2	-39.2	172.7	-27.7	35.8	0	0	0	113.8	I103 C107 T110 E125 N280 T281 A286 A287 G288	I103-P284 HydrophobicContact CG2-CG 4.31Å; C107-P284 VanDerWaalsContact SG-N 3.43Å; T110-P284 WeakPolarHBondContact CG2-O 3.4Å; E125-P284 VanDerWaalsContact OE1-CB 3.31Å; E125-P284 WeakPolarHBondContact OE1-CB 3.33Å; N280-P284 VanDerWaalsContact O-CD 3.23Å; N280-P284 WeakPolarHBondContact O-CD 3.24Å; T281-P284 WeakPolarHBondContact O-CD 3.42Å; P284-A286 VanDerWaalsContact C-N 3.31Å; P284-A286 PolarHBondContact O-N 3.21Å; P284-A287 WeakPolarHBondContact O-CB 3.42Å; P284-A287 PolarHBondContact O-N 3.4Å; P284-A287 VanDerWaalsContact O-N 3.16Å; P284-G288 PolarHBondContact O-N 3.15Å
285	V	98.8	Very high	98.2	Very high	9 Å²	9	11.1 Å²	11.1	6%	0.055	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-39.7	175.2	173.7	0	0	0	0	111.5	T281 R282 P283 G288 A289 K359 Y398 Y401 E402	T281-V285 WeakPolarHBondContact O-CG2 3.3Å; T281-V285 PolarHBondContact O-N 3.41Å; R282-V285 PolarHBondContact O-N 3.24Å; P283-V285 VanDerWaalsContact C-N 3.34Å; P283-V285 PolarHBondContact O-N 3.12Å; V285-G288 PolarHBondContact O-N 3.08Å; V285-A289 PolarHBondContact O-N 2.97Å; V285-A289 VanDerWaalsContact O-N 3.1Å; V285-K359 HydrophobicContact CG1-CG 4.37Å; V285-Y398 HydrophobicContact CG1-CD1 4Å; V285-Y398 HydrophobicContact CG1-CE1 4.21Å; V285-Y398 VanDerWaalsContact O-CE1 3.28Å; V285-Y398 WeakPolarHBondContact O-CE1 3.34Å; V285-Y401 HydrophobicContact CG1-CE1 3.69Å; V285-E402 HydrophobicContact CG1-CB 4.33Å; V285-E402 HydrophobicContact CG2-CB 4.34Å; V285-E402 HydrophobicContact CG2-CG 3.84Å
286	A	98.9	Very high	98.4	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-65.1	-41.2	173.7	0	0	0	0	0	111.6	R282 P283 P284 G288 A289 T290 A358 A362	R282-A286 PolarHBondContact O-N 3.26Å; P283-A286 WeakPolarHBondContact O-CB 3.3Å; P283-A286 PolarHBondContact O-N 3.41Å; P283-A286 VanDerWaalsContact O-N 3.13Å; P284-A286 VanDerWaalsContact C-N 3.31Å; P284-A286 PolarHBondContact O-N 3.21Å; A286-G288 VanDerWaalsContact C-N 3.28Å; A286-G288 PolarHBondContact O-N 3.08Å; A286-A289 WeakPolarHBondContact O-CB 3.43Å; A286-A289 PolarHBondContact O-N 3.14Å; A286-T290 PolarHBondContact O-N 2.69Å; A286-T290 PolarHBondContact O-OG1 2.95Å; A286-T290 VanDerWaalsContact O-OG1 3.1Å; A286-A358 HydrophobicContact CB-CB 3.95Å; A286-A362 HydrophobicContact CB-CB 3.97Å; A286-A362 WeakPolarHBondContact O-CB 3.43Å
287	A	98.9	Very high	98.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.8	-37.3	173.2	0	0	0	0	0	112.1	C107 T110 E111 P283 P284 T290 G291 Y338	C107-A287 HydrophobicContact CB-CB 3.89Å; C107-A287 WeakPolarHBondContact O-CB 3.13Å; T110-A287 HydrophobicContact CG2-CB 4.2Å; E111-A287 HydrophobicContact CB-CB 4.41Å; P283-A287 PolarHBondContact O-N 3.44Å; P284-A287 WeakPolarHBondContact O-CB 3.42Å; P284-A287 PolarHBondContact O-N 3.4Å; P284-A287 VanDerWaalsContact O-N 3.16Å; A287-T290 WeakPolarHBondContact O-CB 3.29Å; A287-T290 PolarHBondContact O-N 3.35Å; A287-G291 PolarHBondContact O-N 3.3Å; A287-Y338 HydrophobicContact CB-CD1 3.9Å; A287-Y338 HydrophobicContact CB-CD2 3.93Å; A287-Y338 HydrophobicContact CB-CE1 3.99Å; A287-Y338 HydrophobicContact CB-CE2 4.1Å; A287-Y338 HydrophobicContact CB-CG 3.9Å
288	G	98.9	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.4	-41.8	174.5	0	0	0	0	0	112.7	A114 P284 V285 A286 G291 L292	A114-G288 VanDerWaalsContact CB-O 3.29Å; A114-G288 WeakPolarHBondContact CB-O 3.44Å; P284-G288 PolarHBondContact O-N 3.15Å; V285-G288 PolarHBondContact O-N 3.08Å; A286-G288 VanDerWaalsContact C-N 3.28Å; A286-G288 PolarHBondContact O-N 3.08Å; G288-G291 PolarHBondContact O-N 3.15Å; G288-L292 PolarHBondContact O-N 2.96Å; G288-L292 VanDerWaalsContact O-N 3.16Å
289	A	98.9	Very high	98.8	Very high	1 Å²	1	11 Å²	11	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-63.2	-42.2	173.6	0	0	0	0	0	111.6	V285 A286 L292 A293 A362 A366 Y398	V285-A289 PolarHBondContact O-N 2.97Å; V285-A289 VanDerWaalsContact O-N 3.1Å; A286-A289 WeakPolarHBondContact O-CB 3.43Å; A286-A289 PolarHBondContact O-N 3.14Å; A289-L292 PolarHBondContact O-N 2.82Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 3.32Å; A289-A362 HydrophobicContact CB-CB 3.91Å; A289-A366 HydrophobicContact CB-CB 4Å; A289-A366 WeakPolarHBondContact O-CB 3.42Å; A289-Y398 HydrophobicContact CB-CD1 3.58Å; A289-Y398 HydrophobicContact CB-CD2 4.2Å; A289-Y398 HydrophobicContact CB-CE1 3.97Å; A289-Y398 HydrophobicContact CB-CG 3.72Å
290	T	98.9	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62	-41.9	175.7	-57.2	0	0	0	0	111.9	A286 A287 L292 A293 Q294 V331 A334 R335 Y338	A286-T290 PolarHBondContact O-N 2.69Å; A286-T290 PolarHBondContact O-OG1 2.95Å; A286-T290 VanDerWaalsContact O-OG1 3.1Å; A287-T290 WeakPolarHBondContact O-CB 3.29Å; A287-T290 PolarHBondContact O-N 3.35Å; T290-L292 PolarHBondContact O-N 2.61Å; T290-A293 WeakPolarHBondContact O-CB 3.21Å; T290-A293 PolarHBondContact O-N 3.09Å; T290-Q294 WeakPolarHBondContact O-CB 3.39Å; T290-Q294 PolarHBondContact O-N 3.45Å; T290-V331 HydrophobicContact CG2-CG1 4.24Å; T290-A334 HydrophobicContact CG2-CB 4.46Å; T290-R335 HydrophobicContact CG2-CB 4.01Å; T290-Y338 HydrophobicContact CG2-CE1 4.22Å
291	G	98.9	Very high	98.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.3	-42.7	177.8	0	0	0	0	0	112.6	E111 Y115 A287 G288 Q294 R295	E111-G291 WeakPolarHBondContact O-CA 3.39Å; Y115-G291 WeakPolarHBondContact CA-O 3.34Å; A287-G291 PolarHBondContact O-N 3.3Å; G288-G291 PolarHBondContact O-N 3.15Å; G291-Q294 PolarHBondContact O-N 2.77Å; G291-R295 PolarHBondContact O-N 2.99Å
292	L	98.9	Very high	98.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.8	-45.4	172.1	-175.9	153.5	0	0	0	111.8	T118 G288 A289 T290 Q294 R295 A296 A366 A370 L391 D394 A395 Y398	T118-L292 HydrophobicContact CG2-CB 3.77Å; T118-L292 HydrophobicContact CG2-CD1 3.72Å; T118-L292 HydrophobicContact CG2-CG 4.28Å; G288-L292 PolarHBondContact O-N 2.96Å; G288-L292 VanDerWaalsContact O-N 3.16Å; A289-L292 PolarHBondContact O-N 2.82Å; T290-L292 PolarHBondContact O-N 2.61Å; L292-Q294 VanDerWaalsContact C-N 3.34Å; L292-Q294 PolarHBondContact O-N 3.44Å; L292-R295 WeakPolarHBondContact O-CB 3.41Å; L292-R295 PolarHBondContact O-N 3.08Å; L292-A296 PolarHBondContact O-N 2.88Å; L292-A366 HydrophobicContact CD2-CB 4.35Å; L292-A370 HydrophobicContact CD2-CB 4.1Å; L292-L391 HydrophobicContact CD2-CB 4.32Å; L292-L391 HydrophobicContact CG-CD2 4.33Å; L292-D394 HydrophobicContact CD1-CB 3.66Å; L292-A395 HydrophobicContact CD1-CB 4.2Å; L292-A395 HydrophobicContact CD2-CB 3.76Å; L292-Y398 HydrophobicContact CD1-CE2 4.22Å
293	A	98.9	Very high	98.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-41	179.3	0	0	0	0	0	111.5	A289 T290 R295 A296 L297 V331 I365 A366 V369	A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 3.32Å; T290-A293 WeakPolarHBondContact O-CB 3.21Å; T290-A293 PolarHBondContact O-N 3.09Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.12Å; A293-A296 PolarHBondContact O-N 2.69Å; A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 2.87Å; A293-V331 HydrophobicContact CB-CG2 3.8Å; A293-I365 HydrophobicContact CB-CD1 3.62Å; A293-A366 HydrophobicContact CB-CB 4.33Å; A293-V369 HydrophobicContact CB-CB 4.26Å; A293-V369 HydrophobicContact CB-CG1 4.3Å; A293-V369 VanDerWaalsContact O-CG1 3.31Å; A293-V369 WeakPolarHBondContact O-CG1 3.35Å
294	Q	99	Very high	98.9	Very high	36 Å²	36	14.9 Å²	14.9	17%	0.168	8%	0.081	C	C	.	.	H	α-helix	trans	-60.7	-42.5	173.8	-175.4	65.9	62.2	0	0	111.1	Y115 T290 G291 L292 A296 L297 D298 V331	Y115-Q294 HydrophobicContact CD2-CB 4.09Å; Y115-Q294 HydrophobicContact CD2-CG 3.92Å; Y115-Q294 HydrophobicContact CE2-CB 4.48Å; Y115-Q294 HydrophobicContact CE2-CG 3.97Å; T290-Q294 WeakPolarHBondContact O-CB 3.39Å; T290-Q294 PolarHBondContact O-N 3.45Å; G291-Q294 PolarHBondContact O-N 2.77Å; L292-Q294 VanDerWaalsContact C-N 3.34Å; L292-Q294 PolarHBondContact O-N 3.44Å; Q294-A296 PolarHBondContact O-N 2.95Å; Q294-L297 PolarHBondContact O-N 3.16Å; Q294-D298 PolarHBondContact NE2-OD1 3.25Å; Q294-D298 PolarHBondContact O-N 3.49Å; Q294-V331 HydrophobicContact CB-CG1 4.21Å; Q294-V331 VanDerWaalsContact OE1-CG1 3.25Å
295	R	98.9	Very high	98.9	Very high	24 Å²	24	20 Å²	20	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-45.1	175.4	-179.4	62	-178.8	-74.5	-0.2	112	Y115 G291 L292 A293 L297 D298 E299 L391	Y115-R295 HydrophobicContact CD2-CB 3.74Å; Y115-R295 VanDerWaalsContact CE2-CA 3.46Å; Y115-R295 HydrophobicContact CE2-CB 3.94Å; Y115-R295 HydrophobicContact CG-CB 4.12Å; Y115-R295 WeakPolarHBondContact O-CB 3.45Å; Y115-R295 WeakPolarHBondContact O-CD 3.36Å; Y115-R295 VanDerWaalsContact O-CG 3.24Å; Y115-R295 WeakPolarHBondContact O-CG 3.36Å; Y115-R295 PolarHBondContact O-NH1 3.08Å; G291-R295 PolarHBondContact O-N 2.99Å; L292-R295 WeakPolarHBondContact O-CB 3.41Å; L292-R295 PolarHBondContact O-N 3.08Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.12Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 3.08Å; R295-D298 PolarHBondContact O-N 3.28Å; R295-E299 HydrophobicContact CG-CG 4.35Å; R295-E299 IonicContact CZ-OE1 3.25Å; R295-E299 IonicContact NE-OE1 2.91Å; R295-E299 PolarHBondContact NE-OE1 2.88Å; R295-E299 IonicContact NH2-OE1 3.27Å; R295-E299 PolarHBondContact NH2-OE1 3.26Å; R295-E299 VanDerWaalsContact O-CG 3.23Å; R295-E299 WeakPolarHBondContact O-CG 3.29Å; R295-E299 PolarHBondContact O-N 3.29Å; R295-L391 HydrophobicContact CB-CD1 4.33Å; R295-L391 HydrophobicContact CG-CD1 3.79Å; R295-L391 HydrophobicContact CG-CD2 4.04Å
296	A	98.9	Very high	98.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-41.3	177.9	0	0	0	0	0	112	L292 A293 Q294 A300 V369 A370 A373 L391	L292-A296 PolarHBondContact O-N 2.88Å; A293-A296 PolarHBondContact O-N 2.69Å; Q294-A296 PolarHBondContact O-N 2.95Å; A296-A300 VanDerWaalsContact O-CB 3.23Å; A296-A300 WeakPolarHBondContact O-CB 3.47Å; A296-A300 PolarHBondContact O-N 2.71Å; A296-V369 HydrophobicContact CB-CG1 3.95Å; A296-A370 HydrophobicContact CB-CB 4.43Å; A296-A373 HydrophobicContact CB-CB 3.9Å; A296-A373 WeakPolarHBondContact O-CB 3.48Å; A296-L391 HydrophobicContact CB-CD1 3.91Å
297	L	98.9	Very high	98.9	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-46.6	173.9	172.2	61.2	0	0	0	112.6	A293 Q294 R295 A300 T301 L324 M327 A328 V331 V369	A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 2.87Å; Q294-L297 PolarHBondContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 3.08Å; L297-A300 PolarHBondContact O-N 2.84Å; L297-T301 VanDerWaalsContact O-CB 3.31Å; L297-T301 WeakPolarHBondContact O-CB 3.27Å; L297-T301 PolarHBondContact O-N 3.48Å; L297-T301 PolarHBondContact O-OG1 2.71Å; L297-L324 HydrophobicContact CD1-CD2 4.24Å; L297-M327 HydrophobicContact CB-CE 4.33Å; L297-M327 HydrophobicContact CD1-CB 3.82Å; L297-M327 HydrophobicContact CD1-CE 4.26Å; L297-A328 HydrophobicContact CD2-CB 4.1Å; L297-V331 HydrophobicContact CD2-CG2 4.3Å; L297-V369 HydrophobicContact CB-CG1 4.34Å
298	D	98.9	Very high	98.9	Very high	45 Å²	45	39 Å²	39	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-48.9	-179.5	-75.2	11	0	0	0	111.2	Y115 Q294 R295 A300 T301 S302	Y115-D298 HydrophobicContact CE2-CB 4.3Å; Y115-D298 WeakPolarHBondContact CE2-OD2 3.36Å; Y115-D298 VanDerWaalsContact CZ-OD2 3.27Å; Y115-D298 PolarHBondContact OH-OD2 3.22Å; Q294-D298 PolarHBondContact NE2-OD1 3.25Å; Q294-D298 PolarHBondContact O-N 3.49Å; R295-D298 PolarHBondContact O-N 3.28Å; D298-A300 VanDerWaalsContact C-N 3.34Å; D298-A300 PolarHBondContact O-N 2.74Å; D298-T301 PolarHBondContact O-N 3.11Å; D298-S302 WeakPolarHBondContact O-CB 3.34Å; D298-S302 PolarHBondContact O-N 3.03Å; D298-S302 PolarHBondContact O-OG 3.01Å
299	E	98.9	Very high	98.9	Very high	44 Å²	44	41.3 Å²	41.3	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-46.1	177.7	-67.2	-69.8	170.9	0	0	111.2	R295 Y303 F377 P387 V388	R295-E299 HydrophobicContact CG-CG 4.35Å; R295-E299 IonicContact CZ-OE1 3.25Å; R295-E299 IonicContact NE-OE1 2.91Å; R295-E299 PolarHBondContact NE-OE1 2.88Å; R295-E299 IonicContact NH2-OE1 3.27Å; R295-E299 PolarHBondContact NH2-OE1 3.26Å; R295-E299 VanDerWaalsContact O-CG 3.23Å; R295-E299 WeakPolarHBondContact O-CG 3.29Å; R295-E299 PolarHBondContact O-N 3.29Å; E299-Y303 WeakPolarHBondContact O-CB 3.23Å; E299-Y303 PolarHBondContact O-N 2.98Å; E299-F377 HydrophobicContact CB-CE2 4.21Å; E299-F377 HydrophobicContact CB-CZ 4.25Å; E299-F377 VanDerWaalsContact O-CE2 3.29Å; E299-F377 WeakPolarHBondContact O-CE2 3.28Å; E299-F377 WeakPolarHBondContact O-CZ 3.18Å; E299-P387 HydrophobicContact CG-CG 4Å; E299-P387 WeakPolarHBondContact OE2-CG 3.22Å; E299-V388 HydrophobicContact CB-CG1 3.9Å
300	A	98.9	Very high	98.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-42.8	178.2	0	0	0	0	0	112.3	A296 L297 D298 A304 L324 M327 A373 I376	A296-A300 VanDerWaalsContact O-CB 3.23Å; A296-A300 WeakPolarHBondContact O-CB 3.47Å; A296-A300 PolarHBondContact O-N 2.71Å; L297-A300 PolarHBondContact O-N 2.84Å; D298-A300 VanDerWaalsContact C-N 3.34Å; D298-A300 PolarHBondContact O-N 2.74Å; A300-A304 WeakPolarHBondContact O-CB 3.41Å; A300-A304 PolarHBondContact O-N 2.96Å; A300-L324 HydrophobicContact CB-CD2 4.16Å; A300-M327 HydrophobicContact CB-CE 3.86Å; A300-A373 HydrophobicContact CB-CB 3.97Å; A300-I376 HydrophobicContact CB-CB 4.34Å; A300-I376 HydrophobicContact CB-CD1 3.82Å; A300-I376 HydrophobicContact CB-CG2 4.29Å
301	T	98.9	Very high	98.8	Very high	47 Å²	47	54.6 Å²	54.6	29%	0.288	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-49.1	179.5	-57.6	0	0	0	0	110.9	L297 D298 Y303 A304 L305	L297-T301 VanDerWaalsContact O-CB 3.31Å; L297-T301 WeakPolarHBondContact O-CB 3.27Å; L297-T301 PolarHBondContact O-N 3.48Å; L297-T301 PolarHBondContact O-OG1 2.71Å; D298-T301 PolarHBondContact O-N 3.11Å; T301-Y303 PolarHBondContact O-N 3.46Å; T301-A304 PolarHBondContact O-N 3.35Å; T301-L305 HydrophobicContact CG2-CD1 4.19Å; T301-L305 WeakPolarHBondContact O-CG 3.45Å; T301-L305 PolarHBondContact O-N 3.42Å; T301-L305 VanDerWaalsContact O-N 3.12Å
302	S	98.8	Very high	98.8	Very high	66 Å²	66	58.1 Å²	58.1	46%	0.462	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-49.5	177.2	-72.4	0	0	0	0	111.4	D298 A304 L305 E306	D298-S302 WeakPolarHBondContact O-CB 3.34Å; D298-S302 PolarHBondContact O-N 3.03Å; D298-S302 PolarHBondContact O-OG 3.01Å; S302-A304 VanDerWaalsContact C-N 3.29Å; S302-A304 PolarHBondContact O-N 2.99Å; S302-L305 PolarHBondContact O-N 2.87Å; S302-E306 PolarHBondContact O-N 2.89Å
303	Y	98.9	Very high	98.7	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.098	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-37.3	177.9	-172.4	-98.6	0	0	0	112.5	E299 T301 L305 E306 R307 I314 I376 F377 N380	E299-Y303 WeakPolarHBondContact O-CB 3.23Å; E299-Y303 PolarHBondContact O-N 2.98Å; T301-Y303 PolarHBondContact O-N 3.46Å; Y303-L305 VanDerWaalsContact C-N 3.27Å; Y303-L305 PolarHBondContact O-N 3.48Å; Y303-E306 PolarHBondContact O-N 2.85Å; Y303-R307 HydrophobicContact CD1-CB 4.04Å; Y303-R307 HydrophobicContact CE1-CB 3.69Å; Y303-R307 HydrophobicContact CE1-CG 3.8Å; Y303-R307 HydrophobicContact CE2-CB 4.43Å; Y303-R307 VanDerWaalsContact O-CB 3.31Å; Y303-R307 WeakPolarHBondContact O-CB 3.46Å; Y303-R307 PolarHBondContact O-N 2.84Å; Y303-I314 HydrophobicContact CD1-CD1 4.13Å; Y303-I314 HydrophobicContact CE1-CD1 4.26Å; Y303-I376 HydrophobicContact CD1-CG2 4.43Å; Y303-F377 VanDerWaalsContact CB-CE2 3.47Å; Y303-F377 VanDerWaalsContact CB-CZ 3.42Å; Y303-F377 HydrophobicContact CD1-CB 4.43Å; Y303-F377 HydrophobicContact CD1-CD1 4.18Å; Y303-F377 HydrophobicContact CD1-CD2 4.02Å; Y303-F377 HydrophobicContact CD1-CE1 4.48Å; Y303-F377 HydrophobicContact CD1-CE2 4.38Å; Y303-F377 AromaticContact CD1-CG 3.95Å; Y303-F377 HydrophobicContact CD1-CG 3.95Å; Y303-F377 AromaticContact CD2-CD1 3.73Å; Y303-F377 HydrophobicContact CD2-CD1 3.73Å; Y303-F377 AromaticContact CD2-CE1 3.5Å; Y303-F377 HydrophobicContact CD2-CE1 3.5Å; Y303-F377 HydrophobicContact CD2-CG 4.32Å; Y303-F377 AromaticContact CD2-CZ 3.97Å; Y303-F377 HydrophobicContact CD2-CZ 3.97Å; Y303-F377 HydrophobicContact CE1-CB 4.32Å; Y303-F377 HydrophobicContact CE1-CD1 4.36Å; Y303-F377 HydrophobicContact CE1-CG 4.22Å; Y303-F377 AromaticContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CE1 4.1Å; Y303-F377 AromaticContact CG-CD1 3.84Å; Y303-F377 HydrophobicContact CG-CD1 3.84Å; Y303-F377 AromaticContact CG-CD2 3.98Å; Y303-F377 HydrophobicContact CG-CD2 3.98Å; Y303-F377 AromaticContact CG-CE1 3.71Å; Y303-F377 HydrophobicContact CG-CE1 3.71Å; Y303-F377 AromaticContact CG-CE2 3.9Å; Y303-F377 HydrophobicContact CG-CE2 3.9Å; Y303-F377 AromaticContact CG-CG 3.98Å; Y303-F377 HydrophobicContact CG-CG 3.98Å; Y303-F377 AromaticContact CG-CZ 3.77Å; Y303-F377 HydrophobicContact CG-CZ 3.77Å; Y303-F377 PolarHBondContact OH-O 3.45Å; Y303-N380 PolarHBondContact OH-ND2 3.24Å; Y303-N380 VanDerWaalsContact OH-ND2 3.07Å
304	A	98.8	Very high	98.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-28.1	180	0	0	0	0	0	113.9	A300 T301 S302 I314 A315 V320 L324 I376	A300-A304 WeakPolarHBondContact O-CB 3.41Å; A300-A304 PolarHBondContact O-N 2.96Å; T301-A304 PolarHBondContact O-N 3.35Å; S302-A304 VanDerWaalsContact C-N 3.29Å; S302-A304 PolarHBondContact O-N 2.99Å; A304-I314 HydrophobicContact CB-CD1 4.2Å; A304-I314 HydrophobicContact CB-CG1 3.82Å; A304-I314 WeakPolarHBondContact O-CG1 3.1Å; A304-I314 PolarHBondContact O-N 3.49Å; A304-A315 HydrophobicContact CB-CB 4.09Å; A304-A315 WeakPolarHBondContact O-CB 3.43Å; A304-A315 PolarHBondContact O-N 2.92Å; A304-V320 HydrophobicContact CB-CG1 4.21Å; A304-L324 HydrophobicContact CB-CD1 4.05Å; A304-I376 HydrophobicContact CB-CG2 4.13Å
305	L	98.8	Very high	98.7	Very high	108 Å²	108	59.2 Å²	59.2	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-81.2	-19.1	176.1	-69.1	170	0	0	0	113.1	T301 S302 Y303 V313 A315	T301-L305 HydrophobicContact CG2-CD1 4.19Å; T301-L305 WeakPolarHBondContact O-CG 3.45Å; T301-L305 PolarHBondContact O-N 3.42Å; T301-L305 VanDerWaalsContact O-N 3.12Å; S302-L305 PolarHBondContact O-N 2.87Å; Y303-L305 VanDerWaalsContact C-N 3.27Å; Y303-L305 PolarHBondContact O-N 3.48Å; L305-V313 VanDerWaalsContact O-CG1 3.3Å; L305-V313 WeakPolarHBondContact O-CG1 3.42Å; L305-A315 HydrophobicContact CD2-CB 4.02Å
306	E	98.7	Very high	98.7	Very high	148 Å²	148	63.7 Å²	63.7	69%	0.692	33%	0.332	S	S	*	.	H	α-helix	trans	-99	-45.9	-179.9	-68.2	177.6	-176.8	0	0	112.6	S302 Y303	S302-E306 PolarHBondContact O-N 2.89Å; Y303-E306 PolarHBondContact O-N 2.85Å
307	R	98.6	Very high	98.7	Very high	122 Å²	122	65.5 Å²	65.5	46%	0.46	34%	0.34	S	S	.	.			trans	-69.7	133.5	-174	-179.1	63.2	-177.3	-152.8	0.2	110.6	Y303 V313 I314	Y303-R307 HydrophobicContact CD1-CB 4.04Å; Y303-R307 HydrophobicContact CE1-CB 3.69Å; Y303-R307 HydrophobicContact CE1-CG 3.8Å; Y303-R307 HydrophobicContact CE2-CB 4.43Å; Y303-R307 VanDerWaalsContact O-CB 3.31Å; Y303-R307 WeakPolarHBondContact O-CB 3.46Å; Y303-R307 PolarHBondContact O-N 2.84Å; R307-V313 CarbonylContact O-C 3.55Å; R307-V313 VanDerWaalsContact O-CA 3.28Å; R307-V313 WeakPolarHBondContact O-CA 3.25Å; R307-I314 HydrophobicContact CB-CD1 4.06Å; R307-I314 HydrophobicContact CB-CG1 4.23Å; R307-I314 HydrophobicContact CB-CG2 4.44Å; R307-I314 HydrophobicContact CG-CD1 4.23Å; R307-I314 HydrophobicContact CG-CG2 4.09Å; R307-I314 PolarHBondContact O-N 2.76Å
308	K	98.7	Very high	98.7	Very high	139 Å²	139	71.2 Å²	71.2	60%	0.604	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	175.3	-62.6	-175.2	179.7	-177.3	0	112.9	K312 V313	K308-K312 CarbonylContact C-O 3.57Å; K308-K312 WeakPolarHBondContact CA-O 3.16Å; K308-K312 WeakPolarHBondContact CB-O 3.43Å; K308-V313 HydrophobicContact CG-CG1 3.95Å
309	T	98.6	Very high	98.7	Very high	49 Å²	49	73 Å²	73	30%	0.301	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	146.6	167.5	63.5	0	0	0	0	108.8	G311 K312 I314 H317	T309-G311 PolarHBondContact O-N 2.9Å; T309-G311 VanDerWaalsContact O-N 3.16Å; T309-K312 PolarHBondContact N-O 3.12Å; T309-K312 PolarHBondContact O-N 3.15Å; T309-K312 VanDerWaalsContact O-O 3.09Å; T309-I314 HydrophobicContact CG2-CG2 3.89Å; T309-I314 WeakPolarHBondContact OG1-CG2 3.26Å; T309-H317 PolarHBondContact O-NE2 3.39Å; T309-H317 PolarHBondContact OG1-NE2 3.48Å
310	F	98.2	Very high	98.7	Very high	199 Å²	199	72.2 Å²	72.2	87%	0.873	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	39.5	-177.7	-52	-78.3	0	0	0	113.3	K312	F310-K312 PolarHBondContact O-N 3.03Å
311	G	98	Very high	98.6	Very high	81 Å²	81	74.3 Å²	74.3	84%	0.835	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.6	173.1	0	0	0	0	0	116.9	T309	T309-G311 PolarHBondContact O-N 2.9Å; T309-G311 VanDerWaalsContact O-N 3.16Å
312	K	98.4	Very high	98.6	Very high	73 Å²	73	77.9 Å²	77.9	32%	0.317	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	164.8	-179	61.6	-173.1	-174.3	166.7	0	112.8	K308 T309 F310 E316 H317	K308-K312 CarbonylContact C-O 3.57Å; K308-K312 WeakPolarHBondContact CA-O 3.16Å; K308-K312 WeakPolarHBondContact CB-O 3.43Å; T309-K312 PolarHBondContact N-O 3.12Å; T309-K312 PolarHBondContact O-N 3.15Å; T309-K312 VanDerWaalsContact O-O 3.09Å; F310-K312 PolarHBondContact O-N 3.03Å; K312-E316 HydrophobicContact CB-CB 4.35Å; K312-E316 WeakPolarHBondContact CB-OE2 3.2Å; K312-E316 HydrophobicContact CD-CB 3.72Å; K312-E316 HydrophobicContact CG-CB 4.15Å; K312-E316 PolarHBondContact NZ-O 3.21Å; K312-H317 WeakPolarHBondContact CE-CE1 3.45Å; K312-H317 WeakPolarHBondContact CE-ND1 3.5Å
313	V	98.7	Very high	98.6	Very high	24 Å²	24	76.6 Å²	76.6	15%	0.145	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	145.9	173.8	-60.8	0	0	0	0	109.5	L305 R307 K308 A315 E316	L305-V313 VanDerWaalsContact O-CG1 3.3Å; L305-V313 WeakPolarHBondContact O-CG1 3.42Å; R307-V313 CarbonylContact O-C 3.55Å; R307-V313 VanDerWaalsContact O-CA 3.28Å; R307-V313 WeakPolarHBondContact O-CA 3.25Å; K308-V313 HydrophobicContact CG-CG1 3.95Å; V313-A315 HydrophobicContact CG2-CB 4.34Å; V313-A315 PolarHBondContact O-N 3.13Å; V313-E316 HydrophobicContact CG2-CB 4.45Å; V313-E316 HydrophobicContact CG2-CG 3.77Å; V313-E316 WeakPolarHBondContact O-CB 3.22Å; V313-E316 PolarHBondContact O-N 2.99Å
314	I	98.8	Very high	98.6	Very high	13 Å²	13	76.5 Å²	76.5	7%	0.067	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-67.3	-23.1	-171.8	63.9	173.7	0	0	0	112.6	Y303 A304 R307 T309 E316 H317 V320 I376	Y303-I314 HydrophobicContact CD1-CD1 4.13Å; Y303-I314 HydrophobicContact CE1-CD1 4.26Å; A304-I314 HydrophobicContact CB-CD1 4.2Å; A304-I314 HydrophobicContact CB-CG1 3.82Å; A304-I314 WeakPolarHBondContact O-CG1 3.1Å; A304-I314 PolarHBondContact O-N 3.49Å; R307-I314 HydrophobicContact CB-CD1 4.06Å; R307-I314 HydrophobicContact CB-CG1 4.23Å; R307-I314 HydrophobicContact CB-CG2 4.44Å; R307-I314 HydrophobicContact CG-CD1 4.23Å; R307-I314 HydrophobicContact CG-CG2 4.09Å; R307-I314 PolarHBondContact O-N 2.76Å; T309-I314 HydrophobicContact CG2-CG2 3.89Å; T309-I314 WeakPolarHBondContact OG1-CG2 3.26Å; I314-E316 PolarHBondContact O-N 2.86Å; I314-H317 VanDerWaalsContact CA-CD2 3.5Å; I314-H317 WeakPolarHBondContact CA-CD2 3.36Å; I314-H317 WeakPolarHBondContact O-CB 3.24Å; I314-H317 PolarHBondContact O-CD2 3.42Å; I314-H317 PolarHBondContact O-N 3.36Å; I314-V320 HydrophobicContact CB-CG2 4.48Å; I314-V320 HydrophobicContact CG1-CG1 4.49Å; I314-V320 VanDerWaalsContact O-CB 3.24Å; I314-V320 WeakPolarHBondContact O-CB 3.41Å; I314-V320 WeakPolarHBondContact O-CG2 3.42Å; I314-I376 HydrophobicContact CD1-CG2 4.02Å
315	A	98.6	Very high	98.6	Very high	23 Å²	23	78.9 Å²	78.9	19%	0.19	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-59.1	-23.1	170.6	0	0	0	0	0	113.9	A304 L305 V313 H317	A304-A315 HydrophobicContact CB-CB 4.09Å; A304-A315 WeakPolarHBondContact O-CB 3.43Å; A304-A315 PolarHBondContact O-N 2.92Å; L305-A315 HydrophobicContact CD2-CB 4.02Å; V313-A315 HydrophobicContact CG2-CB 4.34Å; V313-A315 PolarHBondContact O-N 3.13Å; A315-H317 VanDerWaalsContact C-N 3.31Å
316	E	98.7	Very high	98.6	Very high	118 Å²	118	78.5 Å²	78.5	55%	0.551	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-84.1	-3.6	175.6	-68.9	177	-144.2	0	0	113.4	K312 V313 I314	K312-E316 HydrophobicContact CB-CB 4.35Å; K312-E316 WeakPolarHBondContact CB-OE2 3.2Å; K312-E316 HydrophobicContact CD-CB 3.72Å; K312-E316 HydrophobicContact CG-CB 4.15Å; K312-E316 PolarHBondContact NZ-O 3.21Å; V313-E316 HydrophobicContact CG2-CB 4.45Å; V313-E316 HydrophobicContact CG2-CG 3.77Å; V313-E316 WeakPolarHBondContact O-CB 3.22Å; V313-E316 PolarHBondContact O-N 2.99Å; I314-E316 PolarHBondContact O-N 2.86Å
317	H	98.8	Very high	98.6	Very high	37 Å²	37	71.5 Å²	71.5	17%	0.171	38%	0.383	C	S	.	.	S	Bend	trans	-81.8	120.8	168.2	-60.6	-55.2	0	0	0	108.5	T309 K312 I314 A315 A319 V320 S321	T309-H317 PolarHBondContact O-NE2 3.39Å; T309-H317 PolarHBondContact OG1-NE2 3.48Å; K312-H317 WeakPolarHBondContact CE-CE1 3.45Å; K312-H317 WeakPolarHBondContact CE-ND1 3.5Å; I314-H317 VanDerWaalsContact CA-CD2 3.5Å; I314-H317 WeakPolarHBondContact CA-CD2 3.36Å; I314-H317 WeakPolarHBondContact O-CB 3.24Å; I314-H317 PolarHBondContact O-CD2 3.42Å; I314-H317 PolarHBondContact O-N 3.36Å; A315-H317 VanDerWaalsContact C-N 3.31Å; H317-A319 PolarHBondContact O-N 3.04Å; H317-A319 VanDerWaalsContact O-N 3.09Å; H317-V320 HydrophobicContact CB-CB 4.43Å; H317-V320 HydrophobicContact CB-CG2 4.12Å; H317-V320 WeakPolarHBondContact O-CA 3.3Å; H317-V320 WeakPolarHBondContact O-CB 3.42Å; H317-V320 PolarHBondContact O-N 3.26Å; H317-S321 PolarHBondContact O-N 3.11Å
318	Q	98.6	Very high	98.7	Very high	135 Å²	135	67.5 Å²	67.5	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-53.9	-36.5	-175.3	-171.8	177.8	41.2	0	0	113.3	V320 S321 F322	Q318-V320 VanDerWaalsContact C-N 3.3Å; Q318-V320 PolarHBondContact O-N 2.96Å; Q318-S321 WeakPolarHBondContact CA-OG 3.22Å; Q318-S321 PolarHBondContact O-N 2.92Å; Q318-S321 PolarHBondContact O-OG 3.44Å; Q318-S321 VanDerWaalsContact O-OG 3.11Å; Q318-F322 HydrophobicContact CG-CD1 3.98Å; Q318-F322 HydrophobicContact CG-CE1 3.69Å; Q318-F322 HydrophobicContact CG-CE2 4.32Å; Q318-F322 HydrophobicContact CG-CG 4.44Å; Q318-F322 HydrophobicContact CG-CZ 3.88Å; Q318-F322 WeakPolarHBondContact O-CB 3.48Å; Q318-F322 WeakPolarHBondContact O-CD1 3.12Å; Q318-F322 WeakPolarHBondContact O-CG 3.4Å; Q318-F322 PolarHBondContact O-N 3.37Å
319	A	98.5	Very high	98.7	Very high	82 Å²	82	66.6 Å²	66.6	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-61.9	-36.2	176.4	0	0	0	0	0	112.9	H317 L323	H317-A319 PolarHBondContact O-N 3.04Å; H317-A319 VanDerWaalsContact O-N 3.09Å; A319-L323 PolarHBondContact O-N 3.33Å
320	V	98.8	Very high	98.7	Very high	27 Å²	27	66 Å²	66	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-76.7	-43.6	177.8	176.6	0	0	0	0	110.5	A304 I314 H317 Q318 F322 L323 L324 I376	A304-V320 HydrophobicContact CB-CG1 4.21Å; I314-V320 HydrophobicContact CB-CG2 4.48Å; I314-V320 HydrophobicContact CG1-CG1 4.49Å; I314-V320 VanDerWaalsContact O-CB 3.24Å; I314-V320 WeakPolarHBondContact O-CB 3.41Å; I314-V320 WeakPolarHBondContact O-CG2 3.42Å; H317-V320 HydrophobicContact CB-CB 4.43Å; H317-V320 HydrophobicContact CB-CG2 4.12Å; H317-V320 WeakPolarHBondContact O-CA 3.3Å; H317-V320 WeakPolarHBondContact O-CB 3.42Å; H317-V320 PolarHBondContact O-N 3.26Å; Q318-V320 VanDerWaalsContact C-N 3.3Å; Q318-V320 PolarHBondContact O-N 2.96Å; V320-F322 VanDerWaalsContact C-N 3.31Å; V320-F322 PolarHBondContact O-N 2.89Å; V320-L323 WeakPolarHBondContact O-CB 3.39Å; V320-L323 PolarHBondContact O-N 3.44Å; V320-L324 HydrophobicContact CG1-CD1 4.31Å; V320-L324 WeakPolarHBondContact O-CG 3.17Å; V320-L324 PolarHBondContact O-N 3.11Å; V320-I376 HydrophobicContact CG1-CG1 4.5Å
321	S	98.5	Very high	98.7	Very high	45 Å²	45	56.6 Å²	56.6	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-33.6	178.9	62	0	0	0	0	112.8	H317 Q318 L324 A325	H317-S321 PolarHBondContact O-N 3.11Å; Q318-S321 WeakPolarHBondContact CA-OG 3.22Å; Q318-S321 PolarHBondContact O-N 2.92Å; Q318-S321 PolarHBondContact O-OG 3.44Å; Q318-S321 VanDerWaalsContact O-OG 3.11Å; S321-L324 PolarHBondContact O-N 3.43Å; S321-A325 WeakPolarHBondContact O-CB 3.45Å; S321-A325 PolarHBondContact O-N 2.87Å
322	F	98.8	Very high	98.8	Very high	122 Å²	122	57.2 Å²	57.2	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-41.7	171.8	-80.9	16.9	0	0	0	111.7	Q318 V320 A325 E326	Q318-F322 HydrophobicContact CG-CD1 3.98Å; Q318-F322 HydrophobicContact CG-CE1 3.69Å; Q318-F322 HydrophobicContact CG-CE2 4.32Å; Q318-F322 HydrophobicContact CG-CG 4.44Å; Q318-F322 HydrophobicContact CG-CZ 3.88Å; Q318-F322 WeakPolarHBondContact O-CB 3.48Å; Q318-F322 WeakPolarHBondContact O-CD1 3.12Å; Q318-F322 WeakPolarHBondContact O-CG 3.4Å; Q318-F322 PolarHBondContact O-N 3.37Å; V320-F322 VanDerWaalsContact C-N 3.31Å; V320-F322 PolarHBondContact O-N 2.89Å; F322-A325 PolarHBondContact O-N 2.84Å; F322-E326 PolarHBondContact O-N 3.35Å
323	L	98.7	Very high	98.8	Very high	39 Å²	39	58 Å²	58	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-46.3	176.6	-164.3	63.6	0	0	0	111.4	A319 V320 A325 E326 M327 D372 I376	A319-L323 PolarHBondContact O-N 3.33Å; V320-L323 WeakPolarHBondContact O-CB 3.39Å; V320-L323 PolarHBondContact O-N 3.44Å; L323-A325 VanDerWaalsContact C-N 3.32Å; L323-A325 PolarHBondContact O-N 3.5Å; L323-E326 PolarHBondContact O-N 3.26Å; L323-M327 HydrophobicContact CG-SD 4.21Å; L323-M327 WeakPolarHBondContact O-CB 3.11Å; L323-M327 WeakPolarHBondContact O-CG 3.45Å; L323-M327 PolarHBondContact O-N 3.38Å; L323-D372 HydrophobicContact CD1-CB 4.13Å; L323-D372 HydrophobicContact CD2-CB 3.95Å; L323-D372 HydrophobicContact CG-CB 4.04Å; L323-I376 HydrophobicContact CD2-CD1 3.91Å; L323-I376 HydrophobicContact CD2-CG1 3.85Å; L323-I376 HydrophobicContact CG-CD1 4.37Å
324	L	98.9	Very high	98.8	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-40.7	175.1	-69.8	173.6	0	0	0	112.2	L297 A300 A304 V320 S321 M327 A328 I376	L297-L324 HydrophobicContact CD1-CD2 4.24Å; A300-L324 HydrophobicContact CB-CD2 4.16Å; A304-L324 HydrophobicContact CB-CD1 4.05Å; V320-L324 HydrophobicContact CG1-CD1 4.31Å; V320-L324 WeakPolarHBondContact O-CG 3.17Å; V320-L324 PolarHBondContact O-N 3.11Å; S321-L324 PolarHBondContact O-N 3.43Å; L324-M327 HydrophobicContact CD2-SD 4.25Å; L324-M327 PolarHBondContact O-N 3.39Å; L324-A328 WeakPolarHBondContact O-CB 3.44Å; L324-A328 PolarHBondContact O-N 2.88Å; L324-I376 HydrophobicContact CD2-CD1 3.72Å; L324-I376 HydrophobicContact CG-CD1 4.14Å
325	A	98.9	Very high	98.8	Very high	50 Å²	50	57.7 Å²	57.7	41%	0.413	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-44.8	176.6	0	0	0	0	0	112	S321 F322 L323 A328 M329	S321-A325 WeakPolarHBondContact O-CB 3.45Å; S321-A325 PolarHBondContact O-N 2.87Å; F322-A325 PolarHBondContact O-N 2.84Å; L323-A325 VanDerWaalsContact C-N 3.32Å; L323-A325 PolarHBondContact O-N 3.5Å; A325-A328 PolarHBondContact O-N 3.3Å; A325-M329 WeakPolarHBondContact O-CG 3.16Å; A325-M329 PolarHBondContact O-N 3.42Å
326	E	98.9	Very high	98.8	Very high	100 Å²	100	60.4 Å²	60.4	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-40.5	176.2	-73.3	-170.6	-172.3	0	0	112.4	F322 L323 M329 K330	F322-E326 PolarHBondContact O-N 3.35Å; L323-E326 PolarHBondContact O-N 3.26Å; E326-M329 PolarHBondContact O-N 2.8Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CG 3.48Å; E326-K330 PolarHBondContact O-N 3.27Å; E326-K330 IonicContact OE2-NZ 3.52Å
327	M	98.9	Very high	98.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-47.9	174.7	-69.4	164.7	74	0	0	110.6	L297 A300 L323 L324 K330 V331 V369 D372 A373 I376	L297-M327 HydrophobicContact CB-CE 4.33Å; L297-M327 HydrophobicContact CD1-CB 3.82Å; L297-M327 HydrophobicContact CD1-CE 4.26Å; A300-M327 HydrophobicContact CB-CE 3.86Å; L323-M327 HydrophobicContact CG-SD 4.21Å; L323-M327 WeakPolarHBondContact O-CB 3.11Å; L323-M327 WeakPolarHBondContact O-CG 3.45Å; L323-M327 PolarHBondContact O-N 3.38Å; L324-M327 HydrophobicContact CD2-SD 4.25Å; L324-M327 PolarHBondContact O-N 3.39Å; M327-K330 PolarHBondContact O-N 3.17Å; M327-V331 WeakPolarHBondContact O-CG2 3.49Å; M327-V331 PolarHBondContact O-N 2.93Å; M327-V369 HydrophobicContact CB-CG1 4.19Å; M327-V369 HydrophobicContact CB-CG2 4.26Å; M327-V369 HydrophobicContact CE-CG1 3.57Å; M327-V369 HydrophobicContact CG-CG1 4.14Å; M327-V369 HydrophobicContact CG-CG2 4.23Å; M327-D372 HydrophobicContact CE-CB 4.32Å; M327-D372 HydrophobicContact CG-CB 4.14Å; M327-D372 HydrophobicContact SD-CB 3.81Å; M327-A373 HydrophobicContact CE-CB 4.28Å; M327-I376 HydrophobicContact SD-CD1 3.91Å
328	A	98.9	Very high	98.8	Very high	38 Å²	38	54 Å²	54	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-47.2	177.5	0	0	0	0	0	112.4	L297 L324 A325 K330 V331 E332	L297-A328 HydrophobicContact CD2-CB 4.1Å; L324-A328 WeakPolarHBondContact O-CB 3.44Å; L324-A328 PolarHBondContact O-N 2.88Å; A325-A328 PolarHBondContact O-N 3.3Å; A328-K330 VanDerWaalsContact C-N 3.31Å; A328-K330 PolarHBondContact O-N 2.9Å; A328-V331 PolarHBondContact O-N 2.62Å; A328-E332 PolarHBondContact O-N 3.09Å
329	M	98.9	Very high	98.9	Very high	120 Å²	120	49.3 Å²	49.3	59%	0.591	28%	0.275	S	S	*	.	H	α-helix	trans	-56.2	-45.8	176.3	-72.7	171.6	58.9	0	0	111.9	A325 E326 L333	A325-M329 WeakPolarHBondContact O-CG 3.16Å; A325-M329 PolarHBondContact O-N 3.42Å; E326-M329 PolarHBondContact O-N 2.8Å; M329-L333 WeakPolarHBondContact O-CB 3.43Å; M329-L333 WeakPolarHBondContact O-CD1 3.49Å; M329-L333 WeakPolarHBondContact O-CG 3.27Å; M329-L333 PolarHBondContact O-N 3.12Å
330	K	98.9	Very high	98.9	Very high	38 Å²	38	49.5 Å²	49.5	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-43.8	-179.6	-72.7	169.6	-166.3	176.1	0	111.9	E326 M327 A328 L333 A334 I365 V369	E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CG 3.48Å; E326-K330 PolarHBondContact O-N 3.27Å; E326-K330 IonicContact OE2-NZ 3.52Å; M327-K330 PolarHBondContact O-N 3.17Å; A328-K330 VanDerWaalsContact C-N 3.31Å; A328-K330 PolarHBondContact O-N 2.9Å; K330-L333 PolarHBondContact O-N 2.94Å; K330-A334 WeakPolarHBondContact O-CB 3.36Å; K330-A334 PolarHBondContact O-N 3.4Å; K330-I365 HydrophobicContact CB-CB 3.92Å; K330-I365 HydrophobicContact CB-CG1 4.35Å; K330-I365 HydrophobicContact CB-CG2 3.9Å; K330-I365 HydrophobicContact CD-CB 4.36Å; K330-I365 HydrophobicContact CD-CG2 4.15Å; K330-I365 HydrophobicContact CG-CB 4.38Å; K330-I365 HydrophobicContact CG-CG2 3.95Å; K330-V369 HydrophobicContact CB-CG2 4.41Å; K330-V369 HydrophobicContact CD-CG2 4.39Å
331	V	98.9	Very high	98.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-47.4	179.6	173.3	0	0	0	0	110.9	T290 A293 Q294 L297 M327 A328 L333 A334 R335 V369	T290-V331 HydrophobicContact CG2-CG1 4.24Å; A293-V331 HydrophobicContact CB-CG2 3.8Å; Q294-V331 HydrophobicContact CB-CG1 4.21Å; Q294-V331 VanDerWaalsContact OE1-CG1 3.25Å; L297-V331 HydrophobicContact CD2-CG2 4.3Å; M327-V331 WeakPolarHBondContact O-CG2 3.49Å; M327-V331 PolarHBondContact O-N 2.93Å; A328-V331 PolarHBondContact O-N 2.62Å; V331-L333 PolarHBondContact O-N 3.11Å; V331-A334 PolarHBondContact O-N 3.35Å; V331-R335 WeakPolarHBondContact O-CB 3.27Å; V331-R335 PolarHBondContact O-N 2.81Å; V331-V369 HydrophobicContact CG2-CG1 4.48Å; V331-V369 HydrophobicContact CG2-CG2 4.43Å
332	E	98.9	Very high	98.9	Very high	95 Å²	95	46.1 Å²	46.1	44%	0.444	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-40.6	178.6	-67.8	-55.6	154.6	0	0	112.7	A328 R335 M336	A328-E332 PolarHBondContact O-N 3.09Å; E332-R335 WeakPolarHBondContact O-CB 3.19Å; E332-R335 PolarHBondContact O-N 3.17Å; E332-R335 IonicContact OE1-NH1 2.86Å; E332-R335 PolarHBondContact OE1-NH1 3.48Å; E332-R335 IonicContact OE2-NH1 2.98Å; E332-R335 PolarHBondContact OE2-NH1 3.07Å; E332-M336 WeakPolarHBondContact O-CE 3.32Å; E332-M336 PolarHBondContact O-N 2.91Å
333	L	98.9	Very high	98.9	Very high	89 Å²	89	45.4 Å²	45.4	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-38.1	176.2	-71.1	169.8	0	0	0	112.2	M329 K330 V331 R335 M336 G337 F361	M329-L333 WeakPolarHBondContact O-CB 3.43Å; M329-L333 WeakPolarHBondContact O-CD1 3.49Å; M329-L333 WeakPolarHBondContact O-CG 3.27Å; M329-L333 PolarHBondContact O-N 3.12Å; K330-L333 PolarHBondContact O-N 2.94Å; V331-L333 PolarHBondContact O-N 3.11Å; L333-R335 VanDerWaalsContact C-N 3.34Å; L333-M336 HydrophobicContact CD2-CE 3.88Å; L333-G337 PolarHBondContact O-N 3.16Å; L333-F361 HydrophobicContact CB-CE1 3.7Å; L333-F361 HydrophobicContact CB-CZ 3.95Å; L333-F361 HydrophobicContact CD1-CZ 4.44Å
334	A	98.9	Very high	98.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-39.3	175.5	0	0	0	0	0	111.4	T290 K330 V331 G337 Y338 F361 A362 I365	T290-A334 HydrophobicContact CG2-CB 4.46Å; K330-A334 WeakPolarHBondContact O-CB 3.36Å; K330-A334 PolarHBondContact O-N 3.4Å; V331-A334 PolarHBondContact O-N 3.35Å; A334-G337 PolarHBondContact O-N 3.15Å; A334-Y338 PolarHBondContact O-N 3.27Å; A334-Y338 VanDerWaalsContact O-N 3.12Å; A334-F361 HydrophobicContact CB-CD1 3.93Å; A334-F361 HydrophobicContact CB-CE1 4.02Å; A334-A362 HydrophobicContact CB-CB 4.05Å; A334-I365 HydrophobicContact CB-CD1 3.88Å; A334-I365 HydrophobicContact CB-CG1 3.86Å
335	R	98.9	Very high	98.8	Very high	31 Å²	31	44.1 Å²	44.1	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-53.3	175.5	-171.5	171.1	-64.3	110.5	-0.4	112.1	E111 T290 V331 E332 L333 G337 Y338 Q339	E111-R335 IonicContact OE1-CZ 3.8Å; E111-R335 IonicContact OE1-NE 2.81Å; E111-R335 PolarHBondContact OE1-NE 2.91Å; E111-R335 IonicContact OE1-NH2 2.95Å; E111-R335 PolarHBondContact OE1-NH2 3.02Å; E111-R335 IonicContact OE2-NE 3.36Å; E111-R335 PolarHBondContact OE2-NE 3.5Å; T290-R335 HydrophobicContact CG2-CB 4.01Å; V331-R335 WeakPolarHBondContact O-CB 3.27Å; V331-R335 PolarHBondContact O-N 2.81Å; E332-R335 WeakPolarHBondContact O-CB 3.19Å; E332-R335 PolarHBondContact O-N 3.17Å; E332-R335 IonicContact OE1-NH1 2.86Å; E332-R335 PolarHBondContact OE1-NH1 3.48Å; E332-R335 IonicContact OE2-NH1 2.98Å; E332-R335 PolarHBondContact OE2-NH1 3.07Å; L333-R335 VanDerWaalsContact C-N 3.34Å; R335-G337 PolarHBondContact O-N 3.12Å; R335-Y338 VanDerWaalsContact CA-CE1 3.42Å; R335-Y338 HydrophobicContact CB-CE1 4.02Å; R335-Y338 HydrophobicContact CG-CE1 3.68Å; R335-Y338 WeakPolarHBondContact CG-OH 3.28Å; R335-Y338 VanDerWaalsContact O-CD1 3.29Å; R335-Y338 WeakPolarHBondContact O-CD1 3.44Å; R335-Y338 WeakPolarHBondContact O-CE1 3.44Å; R335-Y338 PolarHBondContact O-N 2.86Å; R335-Q339 WeakPolarHBondContact O-CB 3.27Å; R335-Q339 VanDerWaalsContact O-CG 3.26Å; R335-Q339 WeakPolarHBondContact O-CG 3.49Å; R335-Q339 PolarHBondContact O-N 2.95Å
336	M	98.9	Very high	98.8	Very high	79 Å²	79	44.4 Å²	44.4	39%	0.389	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-34.1	175.7	-71.4	-173.9	-78	0	0	112.5	F40 E332 L333 Q339 R340	F40-M336 HydrophobicContact CE1-CG 4.44Å; F40-M336 HydrophobicContact CE1-SD 4.24Å; E332-M336 WeakPolarHBondContact O-CE 3.32Å; E332-M336 PolarHBondContact O-N 2.91Å; L333-M336 HydrophobicContact CD2-CE 3.88Å; M336-Q339 PolarHBondContact O-N 3.15Å; M336-R340 WeakPolarHBondContact O-CB 3.46Å; M336-R340 PolarHBondContact O-N 2.86Å
337	G	98.8	Very high	98.8	Very high	20 Å²	20	44.6 Å²	44.6	21%	0.206	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-52.6	176.6	0	0	0	0	0	113	L333 A334 R335 S341	L333-G337 PolarHBondContact O-N 3.16Å; A334-G337 PolarHBondContact O-N 3.15Å; R335-G337 PolarHBondContact O-N 3.12Å; G337-S341 PolarHBondContact O-N 2.96Å
338	Y	98.9	Very high	98.6	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-36.8	178.6	82	-109.6	0	0	0	111.5	C107 E111 A287 T290 A334 R335 R340 S341 A342	C107-Y338 HydrophobicContact CB-CD2 3.55Å; C107-Y338 HydrophobicContact CB-CE2 3.5Å; E111-Y338 WeakPolarHBondContact OE2-CE1 3.44Å; E111-Y338 VanDerWaalsContact OE2-CZ 3.27Å; E111-Y338 PolarHBondContact OE2-OH 3.3Å; A287-Y338 HydrophobicContact CB-CD1 3.9Å; A287-Y338 HydrophobicContact CB-CD2 3.93Å; A287-Y338 HydrophobicContact CB-CE1 3.99Å; A287-Y338 HydrophobicContact CB-CE2 4.1Å; A287-Y338 HydrophobicContact CB-CG 3.9Å; T290-Y338 HydrophobicContact CG2-CE1 4.22Å; A334-Y338 PolarHBondContact O-N 3.27Å; A334-Y338 VanDerWaalsContact O-N 3.12Å; R335-Y338 VanDerWaalsContact CA-CE1 3.42Å; R335-Y338 HydrophobicContact CB-CE1 4.02Å; R335-Y338 HydrophobicContact CG-CE1 3.68Å; R335-Y338 WeakPolarHBondContact CG-OH 3.28Å; R335-Y338 VanDerWaalsContact O-CD1 3.29Å; R335-Y338 WeakPolarHBondContact O-CD1 3.44Å; R335-Y338 WeakPolarHBondContact O-CE1 3.44Å; R335-Y338 PolarHBondContact O-N 2.86Å; Y338-R340 VanDerWaalsContact C-N 3.33Å; Y338-R340 PolarHBondContact O-N 3.35Å; Y338-S341 PolarHBondContact O-N 2.71Å; Y338-S341 VanDerWaalsContact O-N 3.11Å; Y338-A342 WeakPolarHBondContact O-CB 3.18Å; Y338-A342 PolarHBondContact O-N 2.81Å
339	Q	98.9	Very high	98.6	Very high	36 Å²	36	51.1 Å²	51.1	17%	0.168	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-45	177.9	-76.4	175.2	-11.9	0	0	111.1	F104 R335 M336 S341 A342 W343	F104-Q339 HydrophobicContact CE2-CB 3.75Å; F104-Q339 HydrophobicContact CE2-CG 3.9Å; F104-Q339 HydrophobicContact CZ-CB 4.27Å; F104-Q339 HydrophobicContact CZ-CG 3.96Å; R335-Q339 WeakPolarHBondContact O-CB 3.27Å; R335-Q339 VanDerWaalsContact O-CG 3.26Å; R335-Q339 WeakPolarHBondContact O-CG 3.49Å; R335-Q339 PolarHBondContact O-N 2.95Å; M336-Q339 PolarHBondContact O-N 3.15Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-S341 PolarHBondContact O-N 2.95Å; Q339-A342 PolarHBondContact O-N 2.94Å; Q339-W343 WeakPolarHBondContact O-CB 3.28Å; Q339-W343 PolarHBondContact O-N 2.78Å
340	R	98.8	Very high	98.5	Very high	86 Å²	86	52.9 Å²	52.9	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-46.2	174.1	174.7	55.7	-179.5	-136.6	4.4	111.3	M336 Y338 E344 Y354	M336-R340 WeakPolarHBondContact O-CB 3.46Å; M336-R340 PolarHBondContact O-N 2.86Å; Y338-R340 VanDerWaalsContact C-N 3.33Å; Y338-R340 PolarHBondContact O-N 3.35Å; R340-E344 IonicContact CZ-OE1 2.65Å; R340-E344 IonicContact NE-OE1 2.76Å; R340-E344 PolarHBondContact NE-OE1 3.21Å; R340-E344 IonicContact NH2-OE1 3.02Å; R340-E344 PolarHBondContact NH2-OE1 3.44Å; R340-E344 VanDerWaalsContact O-CG 3.26Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.36Å; R340-Y354 HydrophobicContact CG-CD1 3.85Å; R340-Y354 HydrophobicContact CG-CE1 4.21Å; R340-Y354 HydrophobicContact CG-CG 4.17Å; R340-Y354 PolarHBondContact NH2-OH 3.01Å
341	S	98.8	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-41.8	-177.6	-168.6	0	0	0	0	113	P283 G337 Y338 Q339 E344 V345 N351 A355	P283-S341 WeakPolarHBondContact CG-OG 3.47Å; G337-S341 PolarHBondContact O-N 2.96Å; Y338-S341 PolarHBondContact O-N 2.71Å; Y338-S341 VanDerWaalsContact O-N 3.11Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-S341 PolarHBondContact O-N 2.95Å; S341-E344 PolarHBondContact O-N 3.22Å; S341-V345 PolarHBondContact O-N 2.81Å; S341-N351 PolarHBondContact O-ND2 3.41Å; S341-N351 PolarHBondContact OG-ND2 2.88Å; S341-N351 VanDerWaalsContact OG-ND2 3.1Å; S341-A355 WeakPolarHBondContact OG-CA 3.11Å; S341-A355 VanDerWaalsContact OG-CB 3.31Å; S341-A355 WeakPolarHBondContact OG-CB 3.48Å; S341-A355 PolarHBondContact OG-N 3.23Å
342	A	98.8	Very high	98.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-47.7	178.1	0	0	0	0	0	110.7	I103 F104 P283 Y338 Q339 E344 V345 D346	I103-A342 HydrophobicContact CB-CB 4.37Å; I103-A342 HydrophobicContact CG2-CB 3.91Å; F104-A342 HydrophobicContact CB-CB 4.12Å; F104-A342 HydrophobicContact CD2-CB 4.1Å; F104-A342 HydrophobicContact CG-CB 4.49Å; P283-A342 HydrophobicContact CB-CB 4.15Å; Y338-A342 WeakPolarHBondContact O-CB 3.18Å; Y338-A342 PolarHBondContact O-N 2.81Å; Q339-A342 PolarHBondContact O-N 2.94Å; A342-E344 VanDerWaalsContact C-N 3.29Å; A342-E344 PolarHBondContact O-N 3.12Å; A342-V345 WeakPolarHBondContact O-CG1 3.4Å; A342-V345 PolarHBondContact O-N 3.14Å; A342-D346 PolarHBondContact O-N 2.88Å
343	W	98.7	Very high	98.5	Very high	107 Å²	107	49 Å²	49	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-57.4	-40.5	175.7	176.9	83.5	0	0	0	112.6	F104 Q339 V345 D346 Q347	F104-W343 HydrophobicContact CD2-CB 4.3Å; Q339-W343 WeakPolarHBondContact O-CB 3.28Å; Q339-W343 PolarHBondContact O-N 2.78Å; W343-V345 PolarHBondContact O-N 3.4Å; W343-D346 PolarHBondContact O-N 2.65Å; W343-Q347 HydrophobicContact CD2-CG 4.07Å; W343-Q347 HydrophobicContact CG-CG 4.44Å; W343-Q347 HydrophobicContact CZ2-CG 3.92Å; W343-Q347 WeakPolarHBondContact O-CG 3.31Å; W343-Q347 PolarHBondContact O-N 2.81Å; W343-Q347 VanDerWaalsContact O-N 3.12Å
344	E	98.7	Very high	98.5	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-44.5	178.7	-75	-77.9	-165.8	0	0	113.3	R340 S341 A342 Q347 R349 N351 Y354	R340-E344 IonicContact CZ-OE1 2.65Å; R340-E344 IonicContact NE-OE1 2.76Å; R340-E344 PolarHBondContact NE-OE1 3.21Å; R340-E344 IonicContact NH2-OE1 3.02Å; R340-E344 PolarHBondContact NH2-OE1 3.44Å; R340-E344 VanDerWaalsContact O-CG 3.26Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.36Å; S341-E344 PolarHBondContact O-N 3.22Å; A342-E344 VanDerWaalsContact C-N 3.29Å; A342-E344 PolarHBondContact O-N 3.12Å; E344-Q347 PolarHBondContact O-N 2.82Å; E344-R349 WeakPolarHBondContact O-CB 3.36Å; E344-R349 PolarHBondContact O-N 2.95Å; E344-R349 VanDerWaalsContact O-N 3.12Å; E344-R349 IonicContact OE2-CZ 2.72Å; E344-R349 IonicContact OE2-NE 2.8Å; E344-R349 PolarHBondContact OE2-NE 3.28Å; E344-R349 IonicContact OE2-NH2 3.17Å; E344-R349 PolarHBondContact OE2-NH2 2.84Å; E344-N351 HydrophobicContact CB-CB 3.62Å; E344-Y354 HydrophobicContact CB-CD2 4.48Å; E344-Y354 HydrophobicContact CG-CD2 3.67Å; E344-Y354 HydrophobicContact CG-CE2 3.96Å; E344-Y354 HydrophobicContact CG-CG 4.39Å; E344-Y354 WeakPolarHBondContact OE1-CE2 3.45Å
345	V	98.2	Very high	98.5	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.145	23%	0.23	C	C	.	.	H	α-helix	trans	-74.8	-34.8	-179.1	62.5	0	0	0	0	112.1	I103 N280 S341 A342 W343 Q347 G348 R349 N351	I103-V345 HydrophobicContact CB-CG1 3.81Å; I103-V345 HydrophobicContact CG1-CG1 3.64Å; I103-V345 HydrophobicContact CG2-CG1 3.99Å; N280-V345 VanDerWaalsContact OD1-CG2 3.26Å; N280-V345 WeakPolarHBondContact OD1-CG2 3.49Å; S341-V345 PolarHBondContact O-N 2.81Å; A342-V345 WeakPolarHBondContact O-CG1 3.4Å; A342-V345 PolarHBondContact O-N 3.14Å; W343-V345 PolarHBondContact O-N 3.4Å; V345-Q347 PolarHBondContact O-N 2.84Å; V345-G348 WeakPolarHBondContact O-CA 3.34Å; V345-G348 PolarHBondContact O-N 3.45Å; V345-R349 WeakPolarHBondContact CA-O 2.98Å; V345-N351 HydrophobicContact CB-CB 4.23Å; V345-N351 WeakPolarHBondContact CB-ND2 3.48Å
346	D	98.3	Very high	98.5	Very high	56 Å²	56	46.4 Å²	46.4	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-25.7	174.4	-69.8	-30.3	0	0	0	112.6	S102 I103 F104 A342 W343 G348	S102-D346 WeakPolarHBondContact CB-OD1 3.41Å; S102-D346 WeakPolarHBondContact CB-OD2 3.26Å; I103-D346 WeakPolarHBondContact CB-OD1 3.39Å; I103-D346 PolarHBondContact N-OD1 3.5Å; I103-D346 PolarHBondContact N-OD2 3.24Å; F104-D346 VanDerWaalsContact CB-OD2 3.24Å; F104-D346 WeakPolarHBondContact CB-OD2 3.24Å; F104-D346 PolarHBondContact N-OD2 2.86Å; A342-D346 PolarHBondContact O-N 2.88Å; W343-D346 PolarHBondContact O-N 2.65Å; D346-G348 PolarHBondContact O-N 3.31Å
347	Q	97.8	Very high	98.5	Very high	105 Å²	105	45.4 Å²	45.4	49%	0.491	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	10.4	172.8	-62.8	-66.4	-57.9	0	0	113.4	W343 E344 V345 R349	W343-Q347 HydrophobicContact CD2-CG 4.07Å; W343-Q347 HydrophobicContact CG-CG 4.44Å; W343-Q347 HydrophobicContact CZ2-CG 3.92Å; W343-Q347 WeakPolarHBondContact O-CG 3.31Å; W343-Q347 PolarHBondContact O-N 2.81Å; W343-Q347 VanDerWaalsContact O-N 3.12Å; E344-Q347 PolarHBondContact O-N 2.82Å; V345-Q347 PolarHBondContact O-N 2.84Å; Q347-R349 VanDerWaalsContact CB-CZ 3.46Å; Q347-R349 PolarHBondContact O-N 2.69Å
348	G	96.4	Very high	98.5	Very high	74 Å²	74	44.5 Å²	44.5	76%	0.763	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	13	179.7	0	0	0	0	0	114.3	V345 D346	V345-G348 WeakPolarHBondContact O-CA 3.34Å; V345-G348 PolarHBondContact O-N 3.45Å; D346-G348 PolarHBondContact O-N 3.31Å
349	R	98.3	Very high	98.5	Very high	101 Å²	101	44.6 Å²	44.6	38%	0.381	21%	0.211	S	C	.	.			trans	-97.7	141.4	178.4	-64.4	-174.3	-61.4	-83.6	-11.3	110.4	E344 V345 Q347 N351	E344-R349 WeakPolarHBondContact O-CB 3.36Å; E344-R349 PolarHBondContact O-N 2.95Å; E344-R349 VanDerWaalsContact O-N 3.12Å; E344-R349 IonicContact OE2-CZ 2.72Å; E344-R349 IonicContact OE2-NE 2.8Å; E344-R349 PolarHBondContact OE2-NE 3.28Å; E344-R349 IonicContact OE2-NH2 3.17Å; E344-R349 PolarHBondContact OE2-NH2 2.84Å; V345-R349 WeakPolarHBondContact CA-O 2.98Å; Q347-R349 VanDerWaalsContact CB-CZ 3.46Å; Q347-R349 PolarHBondContact O-N 2.69Å; R349-N351 PolarHBondContact O-N 3.39Å
350	R	97.5	Very high	98.5	Very high	156 Å²	156	43.3 Å²	43.3	59%	0.589	21%	0.206	S	C	*	.			trans	-61.5	119.6	173.9	-176.4	179.1	171.1	-115.4	-6.8	109.5	D279 T352 E415	D279-R350 WeakPolarHBondContact OD2-CG 3.26Å; R350-T352 VanDerWaalsContact CZ-OG1 3.25Å; R350-T352 PolarHBondContact NE-OG1 2.93Å; R350-T352 PolarHBondContact NH2-OG1 3.05Å; R350-E415 IonicContact CZ-OE1 3.28Å; R350-E415 IonicContact CZ-OE2 3.47Å; R350-E415 IonicContact NH1-OE1 3.45Å; R350-E415 PolarHBondContact NH1-OE1 3.33Å; R350-E415 IonicContact NH1-OE2 2.81Å; R350-E415 PolarHBondContact NH1-OE2 3.25Å; R350-E415 VanDerWaalsContact NH2-CD 3.35Å; R350-E415 IonicContact NH2-OE1 3.48Å; R350-E415 PolarHBondContact NH2-OE1 2.83Å; R350-E415 IonicContact NH2-OE2 2.95Å; R350-E415 PolarHBondContact NH2-OE2 3.3Å
351	N	98.6	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.			trans	-105.5	5.5	-173	76.3	-12.8	0	0	0	114	D279 S341 E344 V345 R349 Y353 Y354 A355	D279-N351 WeakPolarHBondContact CA-OD1 3.41Å; D279-N351 WeakPolarHBondContact CB-OD1 3.41Å; D279-N351 VanDerWaalsContact CG-OD1 3.29Å; D279-N351 PolarHBondContact O-ND2 3.08Å; D279-N351 PolarHBondContact O-OD1 3.1Å; D279-N351 VanDerWaalsContact O-OD1 3.04Å; S341-N351 PolarHBondContact O-ND2 3.41Å; S341-N351 PolarHBondContact OG-ND2 2.88Å; S341-N351 VanDerWaalsContact OG-ND2 3.1Å; E344-N351 HydrophobicContact CB-CB 3.62Å; V345-N351 HydrophobicContact CB-CB 4.23Å; V345-N351 WeakPolarHBondContact CB-ND2 3.48Å; R349-N351 PolarHBondContact O-N 3.39Å; N351-Y353 CarbonylContact O-C 3.55Å; N351-Y353 PolarHBondContact O-N 2.94Å; N351-Y354 PolarHBondContact O-N 3.49Å; N351-A355 PolarHBondContact O-N 3.41Å
352	T	98.6	Very high	98.5	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	21%	0.207	C	C	.	.	H	α-helix	trans	-41.8	-42.3	-172.1	-53.4	0	0	0	0	114.5	D279 R350 S356 I411 E415	D279-T352 VanDerWaalsContact CG-OG1 3.22Å; D279-T352 VanDerWaalsContact OD1-CA 3.24Å; D279-T352 WeakPolarHBondContact OD1-CA 3.27Å; D279-T352 WeakPolarHBondContact OD1-CB 3.46Å; D279-T352 PolarHBondContact OD1-OG1 2.95Å; D279-T352 PolarHBondContact OD2-OG1 2.91Å; R350-T352 VanDerWaalsContact CZ-OG1 3.25Å; R350-T352 PolarHBondContact NE-OG1 2.93Å; R350-T352 PolarHBondContact NH2-OG1 3.05Å; T352-S356 WeakPolarHBondContact O-CB 3.47Å; T352-S356 PolarHBondContact O-N 3.33Å; T352-S356 VanDerWaalsContact O-N 3.08Å; T352-S356 PolarHBondContact O-OG 2.95Å; T352-I411 HydrophobicContact CG2-CG2 3.54Å; T352-E415 HydrophobicContact CG2-CG 4.2Å
353	Y	98.8	Very high	98.5	Very high	43 Å²	43	42.9 Å²	42.9	17%	0.169	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-54	176.5	179.1	-104.3	0	0	0	112.5	N351 S356 I357 I412 E415 H416	N351-Y353 CarbonylContact O-C 3.55Å; N351-Y353 PolarHBondContact O-N 2.94Å; Y353-S356 PolarHBondContact O-N 3.46Å; Y353-I357 HydrophobicContact CD1-CD1 3.8Å; Y353-I357 HydrophobicContact CD2-CD1 4.39Å; Y353-I357 HydrophobicContact CE1-CD1 3.29Å; Y353-I357 HydrophobicContact CE2-CD1 3.96Å; Y353-I357 HydrophobicContact CG-CD1 4.35Å; Y353-I357 WeakPolarHBondContact O-CG1 3.47Å; Y353-I357 PolarHBondContact O-N 2.87Å; Y353-I412 HydrophobicContact CD2-CG2 4.46Å; Y353-I412 HydrophobicContact CE2-CG2 3.94Å; Y353-E415 HydrophobicContact CD2-CB 3.75Å; Y353-E415 HydrophobicContact CG-CB 4.37Å; Y353-H416 HydrophobicContact CE2-CB 4.12Å
354	Y	98.9	Very high	98.5	Very high	66 Å²	66	39 Å²	39	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-67.9	-37.9	-179	-61.9	-69.2	0	0	0	111.7	R340 E344 N351 S356 I357 A358	R340-Y354 HydrophobicContact CG-CD1 3.85Å; R340-Y354 HydrophobicContact CG-CE1 4.21Å; R340-Y354 HydrophobicContact CG-CG 4.17Å; R340-Y354 PolarHBondContact NH2-OH 3.01Å; E344-Y354 HydrophobicContact CB-CD2 4.48Å; E344-Y354 HydrophobicContact CG-CD2 3.67Å; E344-Y354 HydrophobicContact CG-CE2 3.96Å; E344-Y354 HydrophobicContact CG-CG 4.39Å; E344-Y354 WeakPolarHBondContact OE1-CE2 3.45Å; N351-Y354 PolarHBondContact O-N 3.49Å; Y354-S356 VanDerWaalsContact C-N 3.31Å; Y354-S356 PolarHBondContact O-N 3.36Å; Y354-I357 PolarHBondContact O-N 2.95Å; Y354-A358 WeakPolarHBondContact O-CB 3.26Å; Y354-A358 PolarHBondContact O-N 2.89Å
355	A	98.8	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-41.6	177.1	0	0	0	0	0	111.5	R282 P283 S341 N351 K359	R282-A355 HydrophobicContact CB-CB 4.1Å; P283-A355 HydrophobicContact CG-CB 4.47Å; S341-A355 WeakPolarHBondContact OG-CA 3.11Å; S341-A355 VanDerWaalsContact OG-CB 3.31Å; S341-A355 WeakPolarHBondContact OG-CB 3.48Å; S341-A355 PolarHBondContact OG-N 3.23Å; N351-A355 PolarHBondContact O-N 3.41Å; A355-K359 VanDerWaalsContact O-CB 3.3Å; A355-K359 WeakPolarHBondContact O-CB 3.18Å; A355-K359 PolarHBondContact O-N 3.25Å
356	S	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.4	-37.3	178.9	-52	0	0	0	0	112.1	T352 Y353 Y354 A360 Q408 I411	T352-S356 WeakPolarHBondContact O-CB 3.47Å; T352-S356 PolarHBondContact O-N 3.33Å; T352-S356 VanDerWaalsContact O-N 3.08Å; T352-S356 PolarHBondContact O-OG 2.95Å; Y353-S356 PolarHBondContact O-N 3.46Å; Y354-S356 VanDerWaalsContact C-N 3.31Å; Y354-S356 PolarHBondContact O-N 3.36Å; S356-A360 VanDerWaalsContact O-CB 3.24Å; S356-A360 WeakPolarHBondContact O-CB 3.26Å; S356-A360 PolarHBondContact O-N 3.3Å; S356-Q408 VanDerWaalsContact CA-OE1 3.27Å; S356-Q408 VanDerWaalsContact CB-OE1 3.23Å; S356-Q408 PolarHBondContact OG-OE1 3.01Å; S356-I411 WeakPolarHBondContact OG-CG2 3.31Å
357	I	98.9	Very high	98.6	Very high	57 Å²	57	36.2 Å²	36.2	29%	0.292	18%	0.179	S	C	.	.	H	α-helix	trans	-60.6	-52.8	172.2	-72.7	174.3	0	0	0	110.4	Y353 Y354 K359 A360 F361 I412	Y353-I357 HydrophobicContact CD1-CD1 3.8Å; Y353-I357 HydrophobicContact CD2-CD1 4.39Å; Y353-I357 HydrophobicContact CE1-CD1 3.29Å; Y353-I357 HydrophobicContact CE2-CD1 3.96Å; Y353-I357 HydrophobicContact CG-CD1 4.35Å; Y353-I357 WeakPolarHBondContact O-CG1 3.47Å; Y353-I357 PolarHBondContact O-N 2.87Å; Y354-I357 PolarHBondContact O-N 2.95Å; I357-K359 VanDerWaalsContact C-N 3.34Å; I357-K359 PolarHBondContact O-N 2.92Å; I357-A360 PolarHBondContact O-N 2.93Å; I357-F361 VanDerWaalsContact O-CB 3.29Å; I357-F361 WeakPolarHBondContact O-CB 3.44Å; I357-F361 PolarHBondContact O-N 2.96Å; I357-I412 HydrophobicContact CG1-CD1 3.86Å; I357-I412 HydrophobicContact CG1-CG1 3.92Å; I357-I412 HydrophobicContact CG1-CG2 4.29Å
358	A	98.9	Very high	98.7	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-49.3	-178.7	0	0	0	0	0	110.8	A286 Y354 F361 A362	A286-A358 HydrophobicContact CB-CB 3.95Å; Y354-A358 WeakPolarHBondContact O-CB 3.26Å; Y354-A358 PolarHBondContact O-N 2.89Å; A358-F361 PolarHBondContact O-N 3.1Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 2.9Å
359	K	98.9	Very high	98.8	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-44	-179	-163.1	-86.4	175.2	-179.5	0	112.4	R282 V285 A355 I357 G363 Y398 Y401 G403 Q408	R282-K359 HydrophobicContact CB-CB 4.38Å; R282-K359 HydrophobicContact CG-CG 4.46Å; V285-K359 HydrophobicContact CG1-CG 4.37Å; A355-K359 VanDerWaalsContact O-CB 3.3Å; A355-K359 WeakPolarHBondContact O-CB 3.18Å; A355-K359 PolarHBondContact O-N 3.25Å; I357-K359 VanDerWaalsContact C-N 3.34Å; I357-K359 PolarHBondContact O-N 2.92Å; K359-G363 PolarHBondContact O-N 2.83Å; K359-G363 VanDerWaalsContact O-N 3.1Å; K359-Y398 VanDerWaalsContact CE-O 3.28Å; K359-Y398 WeakPolarHBondContact CE-O 3.39Å; K359-Y398 PolarHBondContact NZ-O 2.72Å; K359-Y401 VanDerWaalsContact CE-O 3.26Å; K359-Y401 WeakPolarHBondContact CE-O 3.49Å; K359-Y401 PolarHBondContact NZ-O 3.06Å; K359-G403 PolarHBondContact NZ-O 3.41Å; K359-Q408 HydrophobicContact CD-CG 3.72Å
360	A	98.9	Very high	98.8	Very high	9 Å²	9	27.1 Å²	27.1	7%	0.074	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-51.6	177.6	0	0	0	0	0	111.5	S356 I357 D364 Q408 I412	S356-A360 VanDerWaalsContact O-CB 3.24Å; S356-A360 WeakPolarHBondContact O-CB 3.26Å; S356-A360 PolarHBondContact O-N 3.3Å; I357-A360 PolarHBondContact O-N 2.93Å; A360-D364 WeakPolarHBondContact O-CB 3.28Å; A360-D364 PolarHBondContact O-N 3.47Å; A360-Q408 HydrophobicContact CB-CB 3.73Å; A360-Q408 HydrophobicContact CB-CG 4.28Å; A360-I412 HydrophobicContact CB-CD1 4.27Å
361	F	98.9	Very high	98.9	Very high	76 Å²	76	21.3 Å²	21.3	33%	0.333	11%	0.106	S	C	.	.	H	α-helix	trans	-67.2	-49.8	-175.2	-174.7	-98.2	0	0	0	111.7	L333 A334 I357 A358 G363 D364 I365	L333-F361 HydrophobicContact CB-CE1 3.7Å; L333-F361 HydrophobicContact CB-CZ 3.95Å; L333-F361 HydrophobicContact CD1-CZ 4.44Å; A334-F361 HydrophobicContact CB-CD1 3.93Å; A334-F361 HydrophobicContact CB-CE1 4.02Å; I357-F361 VanDerWaalsContact O-CB 3.29Å; I357-F361 WeakPolarHBondContact O-CB 3.44Å; I357-F361 PolarHBondContact O-N 2.96Å; A358-F361 PolarHBondContact O-N 3.1Å; F361-G363 VanDerWaalsContact C-N 3.33Å; F361-G363 PolarHBondContact O-N 2.84Å; F361-D364 PolarHBondContact O-N 3.42Å; F361-I365 HydrophobicContact CD1-CG1 4.48Å; F361-I365 HydrophobicContact CD1-CG2 4.34Å; F361-I365 HydrophobicContact CD2-CG2 4.41Å; F361-I365 HydrophobicContact CE1-CG1 4.34Å; F361-I365 HydrophobicContact CE1-CG2 3.94Å; F361-I365 HydrophobicContact CE2-CG2 4.03Å; F361-I365 HydrophobicContact CZ-CG2 3.78Å; F361-I365 WeakPolarHBondContact O-CG1 3.11Å; F361-I365 WeakPolarHBondContact O-CG2 3.41Å; F361-I365 PolarHBondContact O-N 3.4Å
362	A	98.9	Very high	98.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-41.1	179.1	0	0	0	0	0	111.7	A286 A289 A334 A358 A366	A286-A362 HydrophobicContact CB-CB 3.97Å; A286-A362 WeakPolarHBondContact O-CB 3.43Å; A289-A362 HydrophobicContact CB-CB 3.91Å; A334-A362 HydrophobicContact CB-CB 4.05Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 2.9Å; A362-A366 VanDerWaalsContact O-CB 3.23Å; A362-A366 WeakPolarHBondContact O-CB 3.43Å; A362-A366 PolarHBondContact O-N 3.45Å
363	G	98.9	Very high	98.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-41.2	175.3	0	0	0	0	0	113.3	K359 F361 N367	K359-G363 PolarHBondContact O-N 2.83Å; K359-G363 VanDerWaalsContact O-N 3.1Å; F361-G363 VanDerWaalsContact C-N 3.33Å; F361-G363 PolarHBondContact O-N 2.84Å; G363-N367 PolarHBondContact O-ND2 2.85Å
364	D	98.9	Very high	98.9	Very high	25 Å²	25	21.5 Å²	21.5	13%	0.134	11%	0.111	C	C	.	.	H	α-helix	trans	-67.3	-45.7	177.7	-72	-18.2	0	0	0	111.7	A360 F361 N367 Q368 Q399 R409	A360-D364 WeakPolarHBondContact O-CB 3.28Å; A360-D364 PolarHBondContact O-N 3.47Å; F361-D364 PolarHBondContact O-N 3.42Å; D364-N367 PolarHBondContact O-N 3.24Å; D364-Q368 PolarHBondContact O-N 3.39Å; D364-Q399 PolarHBondContact OD1-NE2 2.65Å; D364-R409 IonicContact OD2-CZ 3.73Å; D364-R409 IonicContact OD2-NH1 3.73Å; D364-R409 PolarHBondContact OD2-NH1 3.45Å; D364-R409 IonicContact OD2-NH2 2.86Å; D364-R409 PolarHBondContact OD2-NH2 3.3Å
365	I	98.9	Very high	98.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-73.3	-31.3	-178.4	68.6	75.7	0	0	0	112.8	A293 K330 A334 F361 N367 Q368 V369	A293-I365 HydrophobicContact CB-CD1 3.62Å; K330-I365 HydrophobicContact CB-CB 3.92Å; K330-I365 HydrophobicContact CB-CG1 4.35Å; K330-I365 HydrophobicContact CB-CG2 3.9Å; K330-I365 HydrophobicContact CD-CB 4.36Å; K330-I365 HydrophobicContact CD-CG2 4.15Å; K330-I365 HydrophobicContact CG-CB 4.38Å; K330-I365 HydrophobicContact CG-CG2 3.95Å; A334-I365 HydrophobicContact CB-CD1 3.88Å; A334-I365 HydrophobicContact CB-CG1 3.86Å; F361-I365 HydrophobicContact CD1-CG1 4.48Å; F361-I365 HydrophobicContact CD1-CG2 4.34Å; F361-I365 HydrophobicContact CD2-CG2 4.41Å; F361-I365 HydrophobicContact CE1-CG1 4.34Å; F361-I365 HydrophobicContact CE1-CG2 3.94Å; F361-I365 HydrophobicContact CE2-CG2 4.03Å; F361-I365 HydrophobicContact CZ-CG2 3.78Å; F361-I365 WeakPolarHBondContact O-CG1 3.11Å; F361-I365 WeakPolarHBondContact O-CG2 3.41Å; F361-I365 PolarHBondContact O-N 3.4Å; I365-N367 PolarHBondContact O-N 3.06Å; I365-Q368 PolarHBondContact O-N 2.94Å; I365-Q368 VanDerWaalsContact O-N 3.14Å; I365-V369 WeakPolarHBondContact O-CB 3.5Å; I365-V369 VanDerWaalsContact O-CG2 3.24Å; I365-V369 WeakPolarHBondContact O-CG2 3.35Å; I365-V369 PolarHBondContact O-N 3.28Å
366	A	98.9	Very high	98.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-36.2	176.6	0	0	0	0	0	111.4	A289 L292 A293 A362 A370 A395	A289-A366 HydrophobicContact CB-CB 4Å; A289-A366 WeakPolarHBondContact O-CB 3.42Å; L292-A366 HydrophobicContact CD2-CB 4.35Å; A293-A366 HydrophobicContact CB-CB 4.33Å; A362-A366 VanDerWaalsContact O-CB 3.23Å; A362-A366 WeakPolarHBondContact O-CB 3.43Å; A362-A366 PolarHBondContact O-N 3.45Å; A366-A370 WeakPolarHBondContact O-CB 3.23Å; A366-A370 PolarHBondContact O-N 2.91Å; A366-A370 VanDerWaalsContact O-N 3.1Å; A366-A395 HydrophobicContact CB-CB 4.48Å
367	N	98.9	Very high	98.9	Very high	28 Å²	28	26.3 Å²	26.3	15%	0.15	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-43.5	174.6	-82.1	-96.9	0	0	0	112.3	G363 D364 I365 A371 A395 K396	G363-N367 PolarHBondContact O-ND2 2.85Å; D364-N367 PolarHBondContact O-N 3.24Å; I365-N367 PolarHBondContact O-N 3.06Å; N367-A371 WeakPolarHBondContact O-CB 3.5Å; N367-A371 PolarHBondContact O-N 3.06Å; N367-A395 PolarHBondContact ND2-O 2.73Å; N367-K396 VanDerWaalsContact OD1-CA 3.24Å; N367-K396 WeakPolarHBondContact OD1-CA 3.49Å
368	Q	98.9	Very high	98.9	Very high	89 Å²	89	25.2 Å²	25.2	42%	0.416	14%	0.139	S	C	.	.	H	α-helix	trans	-65.2	-54.1	178.6	-67	173.8	19.8	0	0	111	D364 I365 A370 A371 D372	D364-Q368 PolarHBondContact O-N 3.39Å; I365-Q368 PolarHBondContact O-N 2.94Å; I365-Q368 VanDerWaalsContact O-N 3.14Å; Q368-A370 VanDerWaalsContact C-N 3.29Å; Q368-A370 PolarHBondContact O-N 3.04Å; Q368-A371 PolarHBondContact O-N 2.88Å; Q368-A371 VanDerWaalsContact O-N 3.08Å; Q368-D372 WeakPolarHBondContact O-CB 3.37Å; Q368-D372 PolarHBondContact O-N 2.93Å
369	V	98.9	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-37.2	-177.1	178.8	0	0	0	0	111.4	A293 A296 L297 M327 K330 V331 I365 A373	A293-V369 HydrophobicContact CB-CB 4.26Å; A293-V369 HydrophobicContact CB-CG1 4.3Å; A293-V369 VanDerWaalsContact O-CG1 3.31Å; A293-V369 WeakPolarHBondContact O-CG1 3.35Å; A296-V369 HydrophobicContact CB-CG1 3.95Å; L297-V369 HydrophobicContact CB-CG1 4.34Å; M327-V369 HydrophobicContact CB-CG1 4.19Å; M327-V369 HydrophobicContact CB-CG2 4.26Å; M327-V369 HydrophobicContact CE-CG1 3.57Å; M327-V369 HydrophobicContact CG-CG1 4.14Å; M327-V369 HydrophobicContact CG-CG2 4.23Å; K330-V369 HydrophobicContact CB-CG2 4.41Å; K330-V369 HydrophobicContact CD-CG2 4.39Å; V331-V369 HydrophobicContact CG2-CG1 4.48Å; V331-V369 HydrophobicContact CG2-CG2 4.43Å; I365-V369 WeakPolarHBondContact O-CB 3.5Å; I365-V369 VanDerWaalsContact O-CG2 3.24Å; I365-V369 WeakPolarHBondContact O-CG2 3.35Å; I365-V369 PolarHBondContact O-N 3.28Å; V369-A373 WeakPolarHBondContact O-CB 3.44Å; V369-A373 PolarHBondContact O-N 2.99Å
370	A	98.9	Very high	98.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-39.9	174.9	0	0	0	0	0	113.1	L292 A296 A366 Q368 A373 V374 L391 M392 A395	L292-A370 HydrophobicContact CD2-CB 4.1Å; A296-A370 HydrophobicContact CB-CB 4.43Å; A366-A370 WeakPolarHBondContact O-CB 3.23Å; A366-A370 PolarHBondContact O-N 2.91Å; A366-A370 VanDerWaalsContact O-N 3.1Å; Q368-A370 VanDerWaalsContact C-N 3.29Å; Q368-A370 PolarHBondContact O-N 3.04Å; A370-A373 PolarHBondContact O-N 2.6Å; A370-V374 PolarHBondContact O-N 3.25Å; A370-V374 VanDerWaalsContact O-N 3.17Å; A370-L391 HydrophobicContact CB-CB 4.32Å; A370-M392 HydrophobicContact CB-CB 4.33Å; A370-A395 HydrophobicContact CB-CB 4.06Å
371	A	98.9	Very high	98.9	Very high	35 Å²	35	30.1 Å²	30.1	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-67.9	-40.3	175	0	0	0	0	0	112	N367 Q368 A373 V374 Q375 M392	N367-A371 WeakPolarHBondContact O-CB 3.5Å; N367-A371 PolarHBondContact O-N 3.06Å; Q368-A371 PolarHBondContact O-N 2.88Å; Q368-A371 VanDerWaalsContact O-N 3.08Å; A371-A373 VanDerWaalsContact C-N 3.31Å; A371-A373 PolarHBondContact O-N 3.38Å; A371-V374 WeakPolarHBondContact O-CB 3.27Å; A371-V374 PolarHBondContact O-N 3.46Å; A371-Q375 PolarHBondContact O-N 3.25Å; A371-M392 HydrophobicContact CB-CE 4.2Å
372	D	98.9	Very high	98.9	Very high	34 Å²	34	35.2 Å²	35.2	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-38	175.9	-67.2	-23.6	0	0	0	111.2	L323 M327 Q368 Q375 I376	L323-D372 HydrophobicContact CD1-CB 4.13Å; L323-D372 HydrophobicContact CD2-CB 3.95Å; L323-D372 HydrophobicContact CG-CB 4.04Å; M327-D372 HydrophobicContact CE-CB 4.32Å; M327-D372 HydrophobicContact CG-CB 4.14Å; M327-D372 HydrophobicContact SD-CB 3.81Å; Q368-D372 WeakPolarHBondContact O-CB 3.37Å; Q368-D372 PolarHBondContact O-N 2.93Å; D372-Q375 WeakPolarHBondContact O-CB 3.47Å; D372-Q375 PolarHBondContact O-N 2.83Å; D372-I376 WeakPolarHBondContact O-CG1 3.44Å; D372-I376 PolarHBondContact O-N 2.93Å
373	A	98.9	Very high	98.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-44.5	173.3	0	0	0	0	0	112.2	A296 A300 M327 V369 A370 A371 Q375 I376 F377 V388	A296-A373 HydrophobicContact CB-CB 3.9Å; A296-A373 WeakPolarHBondContact O-CB 3.48Å; A300-A373 HydrophobicContact CB-CB 3.97Å; M327-A373 HydrophobicContact CE-CB 4.28Å; V369-A373 WeakPolarHBondContact O-CB 3.44Å; V369-A373 PolarHBondContact O-N 2.99Å; A370-A373 PolarHBondContact O-N 2.6Å; A371-A373 VanDerWaalsContact C-N 3.31Å; A371-A373 PolarHBondContact O-N 3.38Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.36Å; A373-I376 PolarHBondContact O-N 3.45Å; A373-F377 VanDerWaalsContact O-CD2 3.29Å; A373-F377 WeakPolarHBondContact O-CD2 3.34Å; A373-F377 PolarHBondContact O-N 2.88Å; A373-F377 VanDerWaalsContact O-N 3.16Å; A373-V388 HydrophobicContact CB-CB 4.29Å; A373-V388 HydrophobicContact CB-CG1 3.92Å
374	V	98.9	Very high	98.8	Very high	22 Å²	22	42 Å²	42	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-44.1	171.6	169.8	0	0	0	0	110.7	A370 A371 I376 F377 G378 V388 M392	A370-V374 PolarHBondContact O-N 3.25Å; A370-V374 VanDerWaalsContact O-N 3.17Å; A371-V374 WeakPolarHBondContact O-CB 3.27Å; A371-V374 PolarHBondContact O-N 3.46Å; V374-I376 PolarHBondContact O-N 3.05Å; V374-F377 PolarHBondContact O-N 3.44Å; V374-G378 PolarHBondContact O-N 2.88Å; V374-G378 VanDerWaalsContact O-N 3.11Å; V374-V388 HydrophobicContact CG2-CB 4.02Å; V374-V388 HydrophobicContact CG2-CG2 3.93Å; V374-M392 HydrophobicContact CG2-CB 4.14Å; V374-M392 HydrophobicContact CG2-SD 4.16Å
375	Q	98.9	Very high	98.8	Very high	141 Å²	141	48.1 Å²	48.1	66%	0.659	27%	0.271	S	S	*	.	H	α-helix	trans	-62.9	-40.9	-179.7	-172.8	60.7	51.1	0	0	112.7	A371 D372 A373 F377 G378	A371-Q375 PolarHBondContact O-N 3.25Å; D372-Q375 WeakPolarHBondContact O-CB 3.47Å; D372-Q375 PolarHBondContact O-N 2.83Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.36Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; Q375-G378 PolarHBondContact O-N 3.39Å; Q375-G378 VanDerWaalsContact O-N 3.14Å
376	I	98.9	Very high	98.8	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-37.6	176.9	-72.9	168.7	0	0	0	111.3	A300 Y303 A304 I314 V320 L323 L324 M327 D372 A373 V374 G378	A300-I376 HydrophobicContact CB-CB 4.34Å; A300-I376 HydrophobicContact CB-CD1 3.82Å; A300-I376 HydrophobicContact CB-CG2 4.29Å; Y303-I376 HydrophobicContact CD1-CG2 4.43Å; A304-I376 HydrophobicContact CB-CG2 4.13Å; I314-I376 HydrophobicContact CD1-CG2 4.02Å; V320-I376 HydrophobicContact CG1-CG1 4.5Å; L323-I376 HydrophobicContact CD2-CD1 3.91Å; L323-I376 HydrophobicContact CD2-CG1 3.85Å; L323-I376 HydrophobicContact CG-CD1 4.37Å; L324-I376 HydrophobicContact CD2-CD1 3.72Å; L324-I376 HydrophobicContact CG-CD1 4.14Å; M327-I376 HydrophobicContact SD-CD1 3.91Å; D372-I376 WeakPolarHBondContact O-CG1 3.44Å; D372-I376 PolarHBondContact O-N 2.93Å; A373-I376 PolarHBondContact O-N 3.45Å; V374-I376 PolarHBondContact O-N 3.05Å; I376-G378 PolarHBondContact O-N 3.45Å
377	F	98.9	Very high	98.7	Very high	11 Å²	11	53.9 Å²	53.9	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-21.1	174.7	-84.9	-113.5	0	0	0	113.1	E299 Y303 A373 V374 Q375 N380 G381 Y386 V388	E299-F377 HydrophobicContact CB-CE2 4.21Å; E299-F377 HydrophobicContact CB-CZ 4.25Å; E299-F377 VanDerWaalsContact O-CE2 3.29Å; E299-F377 WeakPolarHBondContact O-CE2 3.28Å; E299-F377 WeakPolarHBondContact O-CZ 3.18Å; Y303-F377 VanDerWaalsContact CB-CE2 3.47Å; Y303-F377 VanDerWaalsContact CB-CZ 3.42Å; Y303-F377 HydrophobicContact CD1-CB 4.43Å; Y303-F377 HydrophobicContact CD1-CD1 4.18Å; Y303-F377 HydrophobicContact CD1-CD2 4.02Å; Y303-F377 HydrophobicContact CD1-CE1 4.48Å; Y303-F377 HydrophobicContact CD1-CE2 4.38Å; Y303-F377 AromaticContact CD1-CG 3.95Å; Y303-F377 HydrophobicContact CD1-CG 3.95Å; Y303-F377 AromaticContact CD2-CD1 3.73Å; Y303-F377 HydrophobicContact CD2-CD1 3.73Å; Y303-F377 AromaticContact CD2-CE1 3.5Å; Y303-F377 HydrophobicContact CD2-CE1 3.5Å; Y303-F377 HydrophobicContact CD2-CG 4.32Å; Y303-F377 AromaticContact CD2-CZ 3.97Å; Y303-F377 HydrophobicContact CD2-CZ 3.97Å; Y303-F377 HydrophobicContact CE1-CB 4.32Å; Y303-F377 HydrophobicContact CE1-CD1 4.36Å; Y303-F377 HydrophobicContact CE1-CG 4.22Å; Y303-F377 AromaticContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CE1 4.1Å; Y303-F377 AromaticContact CG-CD1 3.84Å; Y303-F377 HydrophobicContact CG-CD1 3.84Å; Y303-F377 AromaticContact CG-CD2 3.98Å; Y303-F377 HydrophobicContact CG-CD2 3.98Å; Y303-F377 AromaticContact CG-CE1 3.71Å; Y303-F377 HydrophobicContact CG-CE1 3.71Å; Y303-F377 AromaticContact CG-CE2 3.9Å; Y303-F377 HydrophobicContact CG-CE2 3.9Å; Y303-F377 AromaticContact CG-CG 3.98Å; Y303-F377 HydrophobicContact CG-CG 3.98Å; Y303-F377 AromaticContact CG-CZ 3.77Å; Y303-F377 HydrophobicContact CG-CZ 3.77Å; Y303-F377 PolarHBondContact OH-O 3.45Å; A373-F377 VanDerWaalsContact O-CD2 3.29Å; A373-F377 WeakPolarHBondContact O-CD2 3.34Å; A373-F377 PolarHBondContact O-N 2.88Å; A373-F377 VanDerWaalsContact O-N 3.16Å; V374-F377 PolarHBondContact O-N 3.44Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; F377-N380 HydrophobicContact CB-CB 4.49Å; F377-N380 HydrophobicContact CD1-CB 4.4Å; F377-G381 VanDerWaalsContact CB-N 3.34Å; F377-Y386 AromaticContact CD1-CD1 3.74Å; F377-Y386 HydrophobicContact CD1-CD1 3.74Å; F377-Y386 HydrophobicContact CD1-CE1 4.29Å; F377-Y386 HydrophobicContact CD1-CG 4.17Å; F377-Y386 AromaticContact CE1-CD1 3.53Å; F377-Y386 HydrophobicContact CE1-CD1 3.53Å; F377-Y386 HydrophobicContact CE1-CE1 4.12Å; F377-Y386 HydrophobicContact CE1-CG 4.3Å; F377-V388 HydrophobicContact CB-CG2 4.25Å; F377-V388 HydrophobicContact CD1-CG2 4.38Å; F377-V388 HydrophobicContact CD2-CG1 4.03Å; F377-V388 HydrophobicContact CD2-CG2 4.12Å; F377-V388 HydrophobicContact CE2-CG1 3.74Å; F377-V388 HydrophobicContact CG-CG2 4.01Å; F377-V388 HydrophobicContact CZ-CG1 4.18Å
378	G	98.8	Very high	98.7	Very high	35 Å²	35	52.6 Å²	52.6	36%	0.361	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	63.9	-135.1	-176.2	0	0	0	0	0	111.5	V374 Q375 I376 N380 G381	V374-G378 PolarHBondContact O-N 2.88Å; V374-G378 VanDerWaalsContact O-N 3.11Å; Q375-G378 PolarHBondContact O-N 3.39Å; Q375-G378 VanDerWaalsContact O-N 3.14Å; I376-G378 PolarHBondContact O-N 3.45Å; G378-N380 PolarHBondContact O-N 2.89Å; G378-N380 VanDerWaalsContact O-N 3.16Å; G378-G381 PolarHBondContact O-N 3.26Å
379	G	98.6	Very high	98.7	Very high	68 Å²	68	50.3 Å²	50.3	70%	0.701	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-56.8	-32.6	-179.7	0	0	0	0	0	114.1	G381 F382	G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 2.81Å; G379-F382 PolarHBondContact O-N 3.46Å
380	N	98.8	Very high	98.7	Very high	50 Å²	50	51.1 Å²	51.1	27%	0.267	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-65.8	-33.5	175.4	-76.1	-7	0	0	0	112.1	Y303 F377 G378 F382 N383 Y386	Y303-N380 PolarHBondContact OH-ND2 3.24Å; Y303-N380 VanDerWaalsContact OH-ND2 3.07Å; F377-N380 HydrophobicContact CB-CB 4.49Å; F377-N380 HydrophobicContact CD1-CB 4.4Å; G378-N380 PolarHBondContact O-N 2.89Å; G378-N380 VanDerWaalsContact O-N 3.16Å; N380-F382 PolarHBondContact O-N 3.2Å; N380-N383 WeakPolarHBondContact O-CB 3.45Å; N380-N383 PolarHBondContact O-N 2.8Å; N380-Y386 HydrophobicContact CB-CD2 3.68Å; N380-Y386 HydrophobicContact CB-CE1 4.34Å; N380-Y386 HydrophobicContact CB-CE2 3.45Å; N380-Y386 VanDerWaalsContact CB-CE2 3.45Å; N380-Y386 HydrophobicContact CB-CG 4.2Å; N380-Y386 VanDerWaalsContact CG-CE2 3.44Å; N380-Y386 PolarHBondContact ND2-OH 2.96Å; N380-Y386 WeakPolarHBondContact O-CB 3.34Å; N380-Y386 WeakPolarHBondContact O-CD2 3.47Å
381	G	98.8	Very high	98.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-70.1	-19.1	-178.8	0	0	0	0	0	113.2	F377 G378 G379 E389	F377-G381 VanDerWaalsContact CB-N 3.34Å; G378-G381 PolarHBondContact O-N 3.26Å; G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 2.81Å; G381-E389 WeakPolarHBondContact O-CB 3.41Å
382	F	98.8	Very high	98.7	Very high	182 Å²	182	54.3 Å²	54.3	80%	0.798	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-88.4	-6.5	174.5	-169.5	-113.2	0	0	0	112.8	G379 N380	G379-F382 PolarHBondContact O-N 3.46Å; N380-F382 PolarHBondContact O-N 3.2Å
383	N	98.7	Very high	98.7	Very high	73 Å²	73	54.4 Å²	54.4	39%	0.39	29%	0.293	S	S	.	.	S	Bend	trans	-99.4	138.9	-176.5	-177.5	-81.4	0	0	0	111.4	N380 E385 Y386	N380-N383 WeakPolarHBondContact O-CB 3.45Å; N380-N383 PolarHBondContact O-N 2.8Å; N383-E385 PolarHBondContact O-N 2.97Å; N383-E385 WeakPolarHBondContact OD1-CB 3.24Å; N383-E385 VanDerWaalsContact OD1-CG 3.25Å; N383-E385 WeakPolarHBondContact OD1-CG 3.41Å; N383-E385 PolarHBondContact OD1-N 3.29Å; N383-Y386 HydrophobicContact CB-CD2 4.46Å; N383-Y386 PolarHBondContact O-N 2.76Å; N383-Y386 VanDerWaalsContact O-N 3.09Å
384	S	97.7	Very high	98.7	Very high	71 Å²	71	54.5 Å²	54.5	50%	0.497	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.8	-175.6	56.8	0	0	0	0	115.6	Y386	S384-Y386 VanDerWaalsContact C-N 3.25Å
385	E	98	Very high	98.7	Very high	153 Å²	153	53.4 Å²	53.4	72%	0.715	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.9	168.6	-60.5	-60.7	153.8	0	0	111.8	N383	N383-E385 PolarHBondContact O-N 2.97Å; N383-E385 WeakPolarHBondContact OD1-CB 3.24Å; N383-E385 VanDerWaalsContact OD1-CG 3.25Å; N383-E385 WeakPolarHBondContact OD1-CG 3.41Å; N383-E385 PolarHBondContact OD1-N 3.29Å
386	Y	98.6	Very high	98.7	Very high	84 Å²	84	50.7 Å²	50.7	33%	0.329	27%	0.273	S	S	.	.	S	Bend	trans	-104.3	148.3	177.2	-70	-85.2	0	0	0	111.7	F377 N380 N383 S384 V388	F377-Y386 AromaticContact CD1-CD1 3.74Å; F377-Y386 HydrophobicContact CD1-CD1 3.74Å; F377-Y386 HydrophobicContact CD1-CE1 4.29Å; F377-Y386 HydrophobicContact CD1-CG 4.17Å; F377-Y386 AromaticContact CE1-CD1 3.53Å; F377-Y386 HydrophobicContact CE1-CD1 3.53Å; F377-Y386 HydrophobicContact CE1-CE1 4.12Å; F377-Y386 HydrophobicContact CE1-CG 4.3Å; N380-Y386 HydrophobicContact CB-CD2 3.68Å; N380-Y386 HydrophobicContact CB-CE1 4.34Å; N380-Y386 HydrophobicContact CB-CE2 3.45Å; N380-Y386 VanDerWaalsContact CB-CE2 3.45Å; N380-Y386 HydrophobicContact CB-CG 4.2Å; N380-Y386 VanDerWaalsContact CG-CE2 3.44Å; N380-Y386 PolarHBondContact ND2-OH 2.96Å; N380-Y386 WeakPolarHBondContact O-CB 3.34Å; N380-Y386 WeakPolarHBondContact O-CD2 3.47Å; N383-Y386 HydrophobicContact CB-CD2 4.46Å; N383-Y386 PolarHBondContact O-N 2.76Å; N383-Y386 VanDerWaalsContact O-N 3.09Å; S384-Y386 VanDerWaalsContact C-N 3.25Å; Y386-V388 PolarHBondContact O-N 3.45Å
387	P	98.6	Very high	98.7	Very high	42 Å²	42	52.5 Å²	52.5	27%	0.273	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.9	-168.4	28	-34.2	0	0	0	114	E299 E389 K390 L391	E299-P387 HydrophobicContact CG-CG 4Å; E299-P387 WeakPolarHBondContact OE2-CG 3.22Å; P387-E389 PolarHBondContact O-N 3.47Å; P387-K390 PolarHBondContact O-N 3.47Å; P387-L391 PolarHBondContact O-N 2.87Å
388	V	98.9	Very high	98.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.9	-27.6	-165.7	-65.8	0	0	0	0	114.2	E299 A373 V374 F377 Y386 K390 L391 M392	E299-V388 HydrophobicContact CB-CG1 3.9Å; A373-V388 HydrophobicContact CB-CB 4.29Å; A373-V388 HydrophobicContact CB-CG1 3.92Å; V374-V388 HydrophobicContact CG2-CB 4.02Å; V374-V388 HydrophobicContact CG2-CG2 3.93Å; F377-V388 HydrophobicContact CB-CG2 4.25Å; F377-V388 HydrophobicContact CD1-CG2 4.38Å; F377-V388 HydrophobicContact CD2-CG1 4.03Å; F377-V388 HydrophobicContact CD2-CG2 4.12Å; F377-V388 HydrophobicContact CE2-CG1 3.74Å; F377-V388 HydrophobicContact CG-CG2 4.01Å; F377-V388 HydrophobicContact CZ-CG1 4.18Å; Y386-V388 PolarHBondContact O-N 3.45Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 2.87Å; V388-L391 HydrophobicContact CG1-CD1 4.48Å; V388-L391 PolarHBondContact O-N 2.95Å; V388-M392 PolarHBondContact O-N 3.28Å
389	E	98.9	Very high	98.7	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-40.1	175.8	73.3	79.7	-162.4	0	0	111.5	G381 P387 L391 M392 R393	G381-E389 WeakPolarHBondContact O-CB 3.41Å; P387-E389 PolarHBondContact O-N 3.47Å; E389-L391 VanDerWaalsContact C-N 3.33Å; E389-L391 PolarHBondContact O-N 2.83Å; E389-M392 WeakPolarHBondContact O-CB 3.34Å; E389-M392 PolarHBondContact O-N 2.98Å; E389-R393 PolarHBondContact O-N 3.41Å; E389-R393 IonicContact OE1-CZ 2.69Å; E389-R393 IonicContact OE1-NE 2.76Å; E389-R393 IonicContact OE1-NH2 3.43Å; E389-R393 PolarHBondContact OE1-NH2 3.49Å; E389-R393 IonicContact OE2-CZ 2.74Å; E389-R393 IonicContact OE2-NE 2.72Å; E389-R393 PolarHBondContact OE2-NE 2.87Å; E389-R393 IonicContact OE2-NH2 3.43Å; E389-R393 PolarHBondContact OE2-NH2 3Å
390	K	98.9	Very high	98.7	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.078	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.2	176.3	-176.5	172.6	-65	0	110.6	D69 C117 P387 V388 M392 R393 D394	D69-K390 HydrophobicContact CB-CD 3.75Å; D69-K390 HydrophobicContact CB-CG 4.41Å; C117-K390 PolarHBondContact SG-NZ 3.15Å; C117-K390 VanDerWaalsContact SG-NZ 3.42Å; P387-K390 PolarHBondContact O-N 3.47Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 2.87Å; K390-M392 VanDerWaalsContact C-N 3.28Å; K390-M392 PolarHBondContact O-N 2.91Å; K390-R393 PolarHBondContact O-N 3.21Å; K390-D394 IonicContact NZ-OD2 3.6Å; K390-D394 PolarHBondContact NZ-OD2 3.28Å; K390-D394 VanDerWaalsContact O-CB 3.3Å; K390-D394 WeakPolarHBondContact O-CB 3.39Å; K390-D394 PolarHBondContact O-N 3.04Å
391	L	98.9	Very high	98.7	Very high	9 Å²	9	53 Å²	53	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-40.5	177.7	-56.7	177.4	0	0	0	111.1	L292 R295 A296 A370 P387 V388 E389 D394 A395	L292-L391 HydrophobicContact CD2-CB 4.32Å; L292-L391 HydrophobicContact CG-CD2 4.33Å; R295-L391 HydrophobicContact CB-CD1 4.33Å; R295-L391 HydrophobicContact CG-CD1 3.79Å; R295-L391 HydrophobicContact CG-CD2 4.04Å; A296-L391 HydrophobicContact CB-CD1 3.91Å; A370-L391 HydrophobicContact CB-CB 4.32Å; P387-L391 PolarHBondContact O-N 2.87Å; V388-L391 HydrophobicContact CG1-CD1 4.48Å; V388-L391 PolarHBondContact O-N 2.95Å; E389-L391 VanDerWaalsContact C-N 3.33Å; E389-L391 PolarHBondContact O-N 2.83Å; L391-D394 PolarHBondContact O-N 2.85Å; L391-A395 VanDerWaalsContact O-CB 3.26Å; L391-A395 WeakPolarHBondContact O-CB 3.29Å; L391-A395 PolarHBondContact O-N 2.91Å
392	M	98.9	Very high	98.7	Very high	93 Å²	93	54.4 Å²	54.4	46%	0.458	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-44	176.3	-172.9	-177.5	-179.7	0	0	112.1	A370 A371 V374 V388 E389 K390	A370-M392 HydrophobicContact CB-CB 4.33Å; A371-M392 HydrophobicContact CB-CE 4.2Å; V374-M392 HydrophobicContact CG2-CB 4.14Å; V374-M392 HydrophobicContact CG2-SD 4.16Å; V388-M392 PolarHBondContact O-N 3.28Å; E389-M392 WeakPolarHBondContact O-CB 3.34Å; E389-M392 PolarHBondContact O-N 2.98Å; K390-M392 VanDerWaalsContact C-N 3.28Å; K390-M392 PolarHBondContact O-N 2.91Å
393	R	98.9	Very high	98.6	Very high	36 Å²	36	46.7 Å²	46.7	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-45.7	175.4	-71	-174.4	-68.5	105.2	-7.1	112.1	D69 M241 K244 E389 K390	D69-R393 IonicContact OD1-CZ 3.74Å; D69-R393 IonicContact OD1-NH1 3.41Å; D69-R393 PolarHBondContact OD1-NH1 3.24Å; D69-R393 IonicContact OD1-NH2 3.83Å; D69-R393 IonicContact OD2-CZ 2.78Å; D69-R393 IonicContact OD2-NH1 3.72Å; D69-R393 PolarHBondContact OD2-NH1 3.14Å; D69-R393 IonicContact OD2-NH2 2.61Å; D69-R393 PolarHBondContact OD2-NH2 2.75Å; M241-R393 WeakPolarHBondContact CE-O 3.38Å; M241-R393 HydrophobicContact CG-CB 4.1Å; M241-R393 HydrophobicContact CG-CG 3.97Å; M241-R393 WeakPolarHBondContact O-CD 3.44Å; M241-R393 PolarHBondContact O-NH1 2.88Å; M241-R393 VanDerWaalsContact O-NH1 3.14Å; K244-R393 VanDerWaalsContact CE-NH1 3.31Å; E389-R393 PolarHBondContact O-N 3.41Å; E389-R393 IonicContact OE1-CZ 2.69Å; E389-R393 IonicContact OE1-NE 2.76Å; E389-R393 IonicContact OE1-NH2 3.43Å; E389-R393 PolarHBondContact OE1-NH2 3.49Å; E389-R393 IonicContact OE2-CZ 2.74Å; E389-R393 IonicContact OE2-NE 2.72Å; E389-R393 PolarHBondContact OE2-NE 2.87Å; E389-R393 IonicContact OE2-NH2 3.43Å; E389-R393 PolarHBondContact OE2-NH2 3Å; K390-R393 PolarHBondContact O-N 3.21Å
394	D	98.9	Very high	98.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-37	-178.3	-74	-0.1	0	0	0	112.1	T118 G242 Q243 L292 K390 L391 K396 I397	T118-D394 WeakPolarHBondContact OG1-CB 3.48Å; G242-D394 VanDerWaalsContact CA-OD1 3.29Å; G242-D394 WeakPolarHBondContact CA-OD1 3.31Å; Q243-D394 HydrophobicContact CG-CB 4.38Å; Q243-D394 PolarHBondContact N-OD1 3.2Å; L292-D394 HydrophobicContact CD1-CB 3.66Å; K390-D394 IonicContact NZ-OD2 3.6Å; K390-D394 PolarHBondContact NZ-OD2 3.28Å; K390-D394 VanDerWaalsContact O-CB 3.3Å; K390-D394 WeakPolarHBondContact O-CB 3.39Å; K390-D394 PolarHBondContact O-N 3.04Å; L391-D394 PolarHBondContact O-N 2.85Å; D394-K396 PolarHBondContact O-N 2.86Å; D394-I397 WeakPolarHBondContact O-CG2 3.27Å
395	A	98.9	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-32.1	-178.1	0	0	0	0	0	112.9	L292 A366 N367 A370 L391 I397 Y398	L292-A395 HydrophobicContact CD1-CB 4.2Å; L292-A395 HydrophobicContact CD2-CB 3.76Å; A366-A395 HydrophobicContact CB-CB 4.48Å; N367-A395 PolarHBondContact ND2-O 2.73Å; A370-A395 HydrophobicContact CB-CB 4.06Å; L391-A395 VanDerWaalsContact O-CB 3.26Å; L391-A395 WeakPolarHBondContact O-CB 3.29Å; L391-A395 PolarHBondContact O-N 2.91Å; A395-I397 VanDerWaalsContact C-N 3.25Å; A395-I397 PolarHBondContact O-N 3.43Å; A395-Y398 PolarHBondContact O-N 2.82Å
396	K	98.9	Very high	98.6	Very high	83 Å²	83	40.4 Å²	40.4	36%	0.361	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.7	-34.5	-170.3	-173.7	66.8	-153.7	170.2	0	113.8	M241 N367 D394 Y398 Q399 I400	M241-K396 HydrophobicContact CE-CB 3.24Å; M241-K396 HydrophobicContact CE-CG 3.59Å; N367-K396 VanDerWaalsContact OD1-CA 3.24Å; N367-K396 WeakPolarHBondContact OD1-CA 3.49Å; D394-K396 PolarHBondContact O-N 2.86Å; K396-Y398 PolarHBondContact O-N 3.17Å; K396-Q399 PolarHBondContact O-N 3.22Å; K396-I400 HydrophobicContact CG-CD1 4.34Å
397	I	98.8	Very high	98.6	Very high	52 Å²	52	38.3 Å²	38.3	27%	0.267	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-66.7	-25.6	-175.7	-161.5	64.8	0	0	0	112.6	Q243 D394 A395 Q399 I400 Y401	Q243-I397 HydrophobicContact CG-CG2 4.29Å; D394-I397 WeakPolarHBondContact O-CG2 3.27Å; A395-I397 VanDerWaalsContact C-N 3.25Å; A395-I397 PolarHBondContact O-N 3.43Å; I397-Q399 PolarHBondContact O-N 2.8Å; I397-I400 HydrophobicContact CD1-CB 4.28Å; I397-I400 WeakPolarHBondContact O-CA 3.36Å; I397-I400 PolarHBondContact O-N 3.02Å; I397-Y401 HydrophobicContact CG1-CD1 4.35Å; I397-Y401 HydrophobicContact CG1-CD2 3.76Å; I397-Y401 HydrophobicContact CG1-CE2 4.16Å; I397-Y401 HydrophobicContact CG1-CG 3.88Å; I397-Y401 HydrophobicContact CG2-CE1 4.38Å; I397-Y401 HydrophobicContact CG2-CE2 4.18Å; I397-Y401 WeakPolarHBondContact O-CD1 3.37Å; I397-Y401 PolarHBondContact O-N 3.4Å
398	Y	98.9	Very high	98.6	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.012	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-64.9	-19.8	177.8	-71.1	-78.9	0	0	0	113.4	T118 V285 A289 L292 K359 A395 K396 I400 Y401	T118-Y398 VanDerWaalsContact CB-OH 3.31Å; T118-Y398 WeakPolarHBondContact CB-OH 3.28Å; T118-Y398 HydrophobicContact CG2-CE2 4Å; T118-Y398 WeakPolarHBondContact CG2-OH 3.39Å; V285-Y398 HydrophobicContact CG1-CD1 4Å; V285-Y398 HydrophobicContact CG1-CE1 4.21Å; V285-Y398 VanDerWaalsContact O-CE1 3.28Å; V285-Y398 WeakPolarHBondContact O-CE1 3.34Å; A289-Y398 HydrophobicContact CB-CD1 3.58Å; A289-Y398 HydrophobicContact CB-CD2 4.2Å; A289-Y398 HydrophobicContact CB-CE1 3.97Å; A289-Y398 HydrophobicContact CB-CG 3.72Å; L292-Y398 HydrophobicContact CD1-CE2 4.22Å; K359-Y398 VanDerWaalsContact CE-O 3.28Å; K359-Y398 WeakPolarHBondContact CE-O 3.39Å; K359-Y398 PolarHBondContact NZ-O 2.72Å; A395-Y398 PolarHBondContact O-N 2.82Å; K396-Y398 PolarHBondContact O-N 3.17Å; Y398-I400 VanDerWaalsContact C-N 3.33Å; Y398-Y401 AromaticContact CD1-CE1 3.67Å; Y398-Y401 HydrophobicContact CD1-CE1 3.67Å; Y398-Y401 WeakPolarHBondContact CD1-OH 3.25Å; Y398-Y401 HydrophobicContact CE1-CE1 4.11Å; Y398-Y401 AromaticContact CE1-CZ 3.97Å; Y398-Y401 WeakPolarHBondContact CE1-OH 3.33Å; Y398-Y401 HydrophobicContact CG-CE1 4.22Å
399	Q	98.9	Very high	98.6	Very high	39 Å²	39	42 Å²	42	18%	0.182	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-84.9	-4.7	171.3	-71.6	-179.3	-40	0	0	113.6	D364 K396 I397 T404 A405	D364-Q399 PolarHBondContact OD1-NE2 2.65Å; K396-Q399 PolarHBondContact O-N 3.22Å; I397-Q399 PolarHBondContact O-N 2.8Å; Q399-T404 CarbonylContact O-C 3.58Å; Q399-T404 WeakPolarHBondContact O-CA 3.13Å; Q399-A405 HydrophobicContact CB-CB 4.38Å; Q399-A405 PolarHBondContact O-N 3.5Å
400	I	98.8	Very high	98.6	Very high	86 Å²	86	44.7 Å²	44.7	44%	0.441	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-65.5	-168.3	-57.7	172.7	0	0	0	111.5	K396 I397 Y398 G403 T404	K396-I400 HydrophobicContact CG-CD1 4.34Å; I397-I400 HydrophobicContact CD1-CB 4.28Å; I397-I400 WeakPolarHBondContact O-CA 3.36Å; I397-I400 PolarHBondContact O-N 3.02Å; Y398-I400 VanDerWaalsContact C-N 3.33Å; I400-G403 CarbonylContact O-C 3.59Å; I400-T404 WeakPolarHBondContact O-CA 3.24Å; I400-T404 WeakPolarHBondContact O-CG2 3.16Å; I400-T404 PolarHBondContact O-N 3.12Å
401	Y	98.4	Very high	98.6	Very high	47 Å²	47	44.4 Å²	44.4	18%	0.184	21%	0.214	C	C	.	.	S	Bend	trans	-72.1	168.1	-174	72.2	-4.4	0	0	0	112.8	T122 V285 K359 I397 Y398 G403	T122-Y401 HydrophobicContact CG2-CE2 4.26Å; V285-Y401 HydrophobicContact CG1-CE1 3.69Å; K359-Y401 VanDerWaalsContact CE-O 3.26Å; K359-Y401 WeakPolarHBondContact CE-O 3.49Å; K359-Y401 PolarHBondContact NZ-O 3.06Å; I397-Y401 HydrophobicContact CG1-CD1 4.35Å; I397-Y401 HydrophobicContact CG1-CD2 3.76Å; I397-Y401 HydrophobicContact CG1-CE2 4.16Å; I397-Y401 HydrophobicContact CG1-CG 3.88Å; I397-Y401 HydrophobicContact CG2-CE1 4.38Å; I397-Y401 HydrophobicContact CG2-CE2 4.18Å; I397-Y401 WeakPolarHBondContact O-CD1 3.37Å; I397-Y401 PolarHBondContact O-N 3.4Å; Y398-Y401 AromaticContact CD1-CE1 3.67Å; Y398-Y401 HydrophobicContact CD1-CE1 3.67Å; Y398-Y401 WeakPolarHBondContact CD1-OH 3.25Å; Y398-Y401 HydrophobicContact CE1-CE1 4.11Å; Y398-Y401 AromaticContact CE1-CZ 3.97Å; Y398-Y401 WeakPolarHBondContact CE1-OH 3.33Å; Y398-Y401 HydrophobicContact CG-CE1 4.22Å; Y401-G403 PolarHBondContact O-N 3.25Å; Y401-G403 VanDerWaalsContact O-N 3.08Å
402	E	97.3	Very high	98.6	Very high	29 Å²	29	45.7 Å²	45.7	14%	0.136	22%	0.22	C	C	.	.	S	Bend	trans	54.2	31.4	-178.7	-68.5	-70	106.9	0	0	113.6	L129 F278 T281 R282 V285 Q408	L129-E402 WeakPolarHBondContact CD2-OE1 3.49Å; F278-E402 VanDerWaalsContact CD1-OE2 3.3Å; F278-E402 WeakPolarHBondContact CD1-OE2 2.98Å; F278-E402 WeakPolarHBondContact CE1-OE1 3.17Å; F278-E402 WeakPolarHBondContact CE1-OE2 3.02Å; T281-E402 PolarHBondContact OG1-OE2 3.4Å; R282-E402 PolarHBondContact NE-O 3.13Å; V285-E402 HydrophobicContact CG1-CB 4.33Å; V285-E402 HydrophobicContact CG2-CB 4.34Å; V285-E402 HydrophobicContact CG2-CG 3.84Å; E402-Q408 PolarHBondContact O-NE2 2.91Å
403	G	97.1	Very high	98.6	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	89.4	117.8	-175.8	0	0	0	0	0	112.4	K359 I400 Y401 Q408	K359-G403 PolarHBondContact NZ-O 3.41Å; I400-G403 CarbonylContact O-C 3.59Å; Y401-G403 PolarHBondContact O-N 3.25Å; Y401-G403 VanDerWaalsContact O-N 3.08Å; G403-Q408 PolarHBondContact O-NE2 3.12Å
404	T	98.7	Very high	98.5	Very high	25 Å²	25	48.5 Å²	48.5	15%	0.153	24%	0.236	C	C	.	.			trans	-58.6	161.4	-175.6	71.1	0	0	0	0	112.9	Q399 I400 Q406 I407 Q408	Q399-T404 CarbonylContact O-C 3.58Å; Q399-T404 WeakPolarHBondContact O-CA 3.13Å; I400-T404 WeakPolarHBondContact O-CA 3.24Å; I400-T404 WeakPolarHBondContact O-CG2 3.16Å; I400-T404 PolarHBondContact O-N 3.12Å; T404-Q406 PolarHBondContact O-N 2.87Å; T404-Q406 VanDerWaalsContact O-N 3.08Å; T404-Q406 PolarHBondContact OG1-N 3.12Å; T404-Q406 PolarHBondContact OG1-OE1 2.93Å; T404-I407 PolarHBondContact O-N 3.46Å; T404-I407 WeakPolarHBondContact OG1-CG1 3.34Å; T404-I407 PolarHBondContact OG1-N 3.08Å; T404-I407 VanDerWaalsContact OG1-N 3.16Å; T404-Q408 WeakPolarHBondContact O-CG 3.48Å; T404-Q408 PolarHBondContact O-N 3.43Å
405	A	98.3	Very high	98.5	Very high	6 Å²	6	50 Å²	50	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-51.2	-34.2	175.1	0	0	0	0	0	113.1	Q399 R409	Q399-A405 HydrophobicContact CB-CB 4.38Å; Q399-A405 PolarHBondContact O-N 3.5Å; A405-R409 WeakPolarHBondContact O-CD 3.41Å; A405-R409 WeakPolarHBondContact O-CG 3.42Å; A405-R409 PolarHBondContact O-N 2.95Å; A405-R409 PolarHBondContact O-NH1 2.9Å
406	Q	98.8	Very high	98.5	Very high	134 Å²	134	53.9 Å²	53.9	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-74.4	-41.6	176	-64.9	71.6	26.8	0	0	111.9	T404 Q408 R409 L410	T404-Q406 PolarHBondContact O-N 2.87Å; T404-Q406 VanDerWaalsContact O-N 3.08Å; T404-Q406 PolarHBondContact OG1-N 3.12Å; T404-Q406 PolarHBondContact OG1-OE1 2.93Å; Q406-Q408 VanDerWaalsContact C-N 3.34Å; Q406-R409 WeakPolarHBondContact O-CB 3.43Å; Q406-R409 PolarHBondContact O-N 3.15Å; Q406-L410 PolarHBondContact O-N 3.44Å
407	I	98.6	Very high	98.5	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.205	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-39.1	176.5	-68.7	-63.8	0	0	0	111.2	T404 R409 L410 I411	T404-I407 PolarHBondContact O-N 3.46Å; T404-I407 WeakPolarHBondContact OG1-CG1 3.34Å; T404-I407 PolarHBondContact OG1-N 3.08Å; T404-I407 VanDerWaalsContact OG1-N 3.16Å; I407-R409 VanDerWaalsContact C-N 3.33Å; I407-R409 PolarHBondContact O-N 3.19Å; I407-L410 WeakPolarHBondContact O-CB 3.33Å; I407-L410 PolarHBondContact O-N 2.82Å; I407-I411 HydrophobicContact CG2-CD1 3.93Å; I407-I411 HydrophobicContact CG2-CG1 4.48Å; I407-I411 VanDerWaalsContact O-CG1 3.32Å; I407-I411 WeakPolarHBondContact O-CG1 3.4Å; I407-I411 PolarHBondContact O-N 3.37Å
408	Q	98.8	Very high	98.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-44.5	173.2	-59.3	-49.8	-36.6	0	0	111.3	S356 K359 A360 E402 G403 T404 Q406 L410 I411 I412	S356-Q408 VanDerWaalsContact CA-OE1 3.27Å; S356-Q408 VanDerWaalsContact CB-OE1 3.23Å; S356-Q408 PolarHBondContact OG-OE1 3.01Å; K359-Q408 HydrophobicContact CD-CG 3.72Å; A360-Q408 HydrophobicContact CB-CB 3.73Å; A360-Q408 HydrophobicContact CB-CG 4.28Å; E402-Q408 PolarHBondContact O-NE2 2.91Å; G403-Q408 PolarHBondContact O-NE2 3.12Å; T404-Q408 WeakPolarHBondContact O-CG 3.48Å; T404-Q408 PolarHBondContact O-N 3.43Å; Q406-Q408 VanDerWaalsContact C-N 3.34Å; Q408-L410 VanDerWaalsContact C-N 3.32Å; Q408-L410 PolarHBondContact O-N 3.21Å; Q408-I411 PolarHBondContact O-N 3.12Å; Q408-I411 VanDerWaalsContact O-N 3.14Å; Q408-I412 WeakPolarHBondContact O-CD1 3.3Å; Q408-I412 WeakPolarHBondContact O-CG1 3.31Å; Q408-I412 PolarHBondContact O-N 2.85Å
409	R	98.8	Very high	98.2	Very high	120 Å²	120	60.5 Å²	60.5	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-39.5	175.5	-73.6	164.4	172.5	74.6	-1.5	112.5	D364 A405 Q406 I407 I412 A413	D364-R409 IonicContact OD2-CZ 3.73Å; D364-R409 IonicContact OD2-NH1 3.73Å; D364-R409 PolarHBondContact OD2-NH1 3.45Å; D364-R409 IonicContact OD2-NH2 2.86Å; D364-R409 PolarHBondContact OD2-NH2 3.3Å; A405-R409 WeakPolarHBondContact O-CD 3.41Å; A405-R409 WeakPolarHBondContact O-CG 3.42Å; A405-R409 PolarHBondContact O-N 2.95Å; A405-R409 PolarHBondContact O-NH1 2.9Å; Q406-R409 WeakPolarHBondContact O-CB 3.43Å; Q406-R409 PolarHBondContact O-N 3.15Å; I407-R409 VanDerWaalsContact C-N 3.33Å; I407-R409 PolarHBondContact O-N 3.19Å; R409-I412 PolarHBondContact O-N 3.42Å; R409-A413 VanDerWaalsContact O-CB 3.28Å; R409-A413 WeakPolarHBondContact O-CB 3.39Å; R409-A413 PolarHBondContact O-N 3.28Å
410	L	98.6	Very high	98.1	Very high	98 Å²	98	65.6 Å²	65.6	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-46	173.4	-175.3	158.9	0	0	0	111.2	Q406 I407 Q408 A413 R414	Q406-L410 PolarHBondContact O-N 3.44Å; I407-L410 WeakPolarHBondContact O-CB 3.33Å; I407-L410 PolarHBondContact O-N 2.82Å; Q408-L410 VanDerWaalsContact C-N 3.32Å; Q408-L410 PolarHBondContact O-N 3.21Å; L410-A413 PolarHBondContact O-N 2.98Å; L410-R414 WeakPolarHBondContact O-CB 3.21Å; L410-R414 PolarHBondContact O-N 3.5Å
411	I	98.4	Very high	97.7	Very high	12 Å²	12	69.2 Å²	69.2	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-47.8	178.9	-63.9	163.8	0	0	0	110.5	T352 S356 I407 Q408 A413 R414 E415	T352-I411 HydrophobicContact CG2-CG2 3.54Å; S356-I411 WeakPolarHBondContact OG-CG2 3.31Å; I407-I411 HydrophobicContact CG2-CD1 3.93Å; I407-I411 HydrophobicContact CG2-CG1 4.48Å; I407-I411 VanDerWaalsContact O-CG1 3.32Å; I407-I411 WeakPolarHBondContact O-CG1 3.4Å; I407-I411 PolarHBondContact O-N 3.37Å; Q408-I411 PolarHBondContact O-N 3.12Å; Q408-I411 VanDerWaalsContact O-N 3.14Å; I411-A413 VanDerWaalsContact C-N 3.34Å; I411-A413 PolarHBondContact O-N 3.45Å; I411-R414 PolarHBondContact O-N 3.42Å; I411-E415 HydrophobicContact CG2-CG 4.18Å; I411-E415 WeakPolarHBondContact O-CB 3.08Å; I411-E415 WeakPolarHBondContact O-CG 3.44Å; I411-E415 PolarHBondContact O-N 3.17Å
412	I	98.8	Very high	95.8	Very high	35 Å²	35	80.3 Å²	80.3	18%	0.179	39%	0.386	C	S	.	.	H	α-helix	trans	-57.1	-48.7	177.3	-65.2	163.3	0	0	0	110.2	Y353 I357 A360 Q408 R409 R414 E415 H416	Y353-I412 HydrophobicContact CD2-CG2 4.46Å; Y353-I412 HydrophobicContact CE2-CG2 3.94Å; I357-I412 HydrophobicContact CG1-CD1 3.86Å; I357-I412 HydrophobicContact CG1-CG1 3.92Å; I357-I412 HydrophobicContact CG1-CG2 4.29Å; A360-I412 HydrophobicContact CB-CD1 4.27Å; Q408-I412 WeakPolarHBondContact O-CD1 3.3Å; Q408-I412 WeakPolarHBondContact O-CG1 3.31Å; Q408-I412 PolarHBondContact O-N 2.85Å; R409-I412 PolarHBondContact O-N 3.42Å; I412-R414 PolarHBondContact O-N 3.38Å; I412-E415 PolarHBondContact O-N 3.24Å; I412-H416 WeakPolarHBondContact O-CB 3.3Å; I412-H416 PolarHBondContact O-N 2.76Å
413	A	98.7	Very high	95.7	Very high	48 Å²	48	82.9 Å²	82.9	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-45.2	179	0	0	0	0	0	111.5	R409 L410 I411 H416 L417	R409-A413 VanDerWaalsContact O-CB 3.28Å; R409-A413 WeakPolarHBondContact O-CB 3.39Å; R409-A413 PolarHBondContact O-N 3.28Å; L410-A413 PolarHBondContact O-N 2.98Å; I411-A413 VanDerWaalsContact C-N 3.34Å; I411-A413 PolarHBondContact O-N 3.45Å; A413-H416 PolarHBondContact O-N 2.81Å; A413-L417 WeakPolarHBondContact O-CB 3.42Å; A413-L417 WeakPolarHBondContact O-CG 3.35Å; A413-L417 PolarHBondContact O-N 3.04Å
414	R	98.1	Very high	95.6	Very high	140 Å²	140	86.2 Å²	86.2	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-48.8	177.8	-177	-179.1	65.8	-165.1	-3.4	112.1	L410 I411 I412 G418	L410-R414 WeakPolarHBondContact O-CB 3.21Å; L410-R414 PolarHBondContact O-N 3.5Å; I411-R414 PolarHBondContact O-N 3.42Å; I412-R414 PolarHBondContact O-N 3.38Å; R414-G418 PolarHBondContact O-N 2.7Å
415	E	98.3	Very high	95.5	Very high	34 Å²	34	89.6 Å²	89.6	16%	0.159	42%	0.423	C	S	.	.	H	α-helix	trans	-66.1	-38.6	179.4	-68.3	-62.6	129.1	0	0	111.7	R350 T352 Y353 I411 I412 R419	R350-E415 IonicContact CZ-OE1 3.28Å; R350-E415 IonicContact CZ-OE2 3.47Å; R350-E415 IonicContact NH1-OE1 3.45Å; R350-E415 PolarHBondContact NH1-OE1 3.33Å; R350-E415 IonicContact NH1-OE2 2.81Å; R350-E415 PolarHBondContact NH1-OE2 3.25Å; R350-E415 VanDerWaalsContact NH2-CD 3.35Å; R350-E415 IonicContact NH2-OE1 3.48Å; R350-E415 PolarHBondContact NH2-OE1 2.83Å; R350-E415 IonicContact NH2-OE2 2.95Å; R350-E415 PolarHBondContact NH2-OE2 3.3Å; T352-E415 HydrophobicContact CG2-CG 4.2Å; Y353-E415 HydrophobicContact CD2-CB 3.75Å; Y353-E415 HydrophobicContact CG-CB 4.37Å; I411-E415 HydrophobicContact CG2-CG 4.18Å; I411-E415 WeakPolarHBondContact O-CB 3.08Å; I411-E415 WeakPolarHBondContact O-CG 3.44Å; I411-E415 PolarHBondContact O-N 3.17Å; I412-E415 PolarHBondContact O-N 3.24Å; E415-R419 WeakPolarHBondContact O-CG 3.48Å
416	H	98.4	Very high	95.3	Very high	81 Å²	81	94.5 Å²	94.5	38%	0.375	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-56.2	175.8	178.9	78	0	0	0	111.1	Y353 I412 A413 G418 R419 F420	Y353-H416 HydrophobicContact CE2-CB 4.12Å; I412-H416 WeakPolarHBondContact O-CB 3.3Å; I412-H416 PolarHBondContact O-N 2.76Å; A413-H416 PolarHBondContact O-N 2.81Å; H416-G418 PolarHBondContact O-N 3.2Å; H416-R419 WeakPolarHBondContact O-CB 3.36Å; H416-R419 PolarHBondContact O-N 3.32Å; H416-F420 AromaticContact CE1-CE2 3.54Å; H416-F420 AromaticContact ND1-CE2 4Å; H416-F420 AromaticContact NE2-CE2 3.81Å; H416-F420 VanDerWaalsContact O-CD2 3.3Å; H416-F420 WeakPolarHBondContact O-CD2 3.28Å
417	L	98.3	Very high	95.1	Very high	97 Å²	97	92.1 Å²	92.1	51%	0.508	43%	0.434	S	S	.	.	H	α-helix	trans	-60.5	-35.1	-179.8	-67.7	172.9	0	0	0	111.9	A413 R419 F420 K421	A413-L417 WeakPolarHBondContact O-CB 3.42Å; A413-L417 WeakPolarHBondContact O-CG 3.35Å; A413-L417 PolarHBondContact O-N 3.04Å; L417-R419 PolarHBondContact O-N 3.27Å; L417-F420 PolarHBondContact O-N 3.08Å; L417-F420 VanDerWaalsContact O-N 3.08Å; L417-K421 PolarHBondContact O-N 3.08Å; L417-K421 VanDerWaalsContact O-N 3.08Å
418	G	97.5	Very high	94.8	Very high	49 Å²	49	95.5 Å²	95.5	51%	0.505	45%	0.449	S	S	.	.	H	α-helix	trans	-59.8	-23.5	176	0	0	0	0	0	114.3	R414 H416 F420	R414-G418 PolarHBondContact O-N 2.7Å; H416-G418 PolarHBondContact O-N 3.2Å; G418-F420 VanDerWaalsContact C-N 3.33Å
419	R	95.6	Very high	94.6	Very high	130 Å²	130	102.4 Å²	102.4	49%	0.491	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.3	176.3	-64.9	168.1	-177.1	-169.8	-2.8	113.7	E415 H416 L417	E415-R419 WeakPolarHBondContact O-CG 3.48Å; H416-R419 WeakPolarHBondContact O-CB 3.36Å; H416-R419 PolarHBondContact O-N 3.32Å; L417-R419 PolarHBondContact O-N 3.27Å
420	F	96.3	Very high	94.2	Very high	146 Å²	146	101 Å²	101	64%	0.64	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-13.8	-175.7	-63.8	-85.3	0	0	0	113.2	H416 L417 G418 K422	H416-F420 AromaticContact CE1-CE2 3.54Å; H416-F420 AromaticContact ND1-CE2 4Å; H416-F420 AromaticContact NE2-CE2 3.81Å; H416-F420 VanDerWaalsContact O-CD2 3.3Å; H416-F420 WeakPolarHBondContact O-CD2 3.28Å; L417-F420 PolarHBondContact O-N 3.08Å; L417-F420 VanDerWaalsContact O-N 3.08Å; G418-F420 VanDerWaalsContact C-N 3.33Å; F420-K422 PolarHBondContact O-N 3.27Å
421	K	89.3	Confident	93.9	Very high	163 Å²	163	101.3 Å²	101.3	71%	0.709	48%	0.481	S	S	*	.			trans	-69.2	116.9	169.6	-74.7	-176.5	177.5	-173.5	0	108.4	L417	L417-K421 PolarHBondContact O-N 3.08Å; L417-K421 VanDerWaalsContact O-N 3.08Å
422	K	59	Low	93.5	Very high	280 Å²	280	109.4 Å²	109.4	100%	1.217	52%	0.519	S	S	*	.			trans	-67.6	0	173.4	-73.6	-176.5	177.2	-178.5	0	111.4	F420	F420-K422 PolarHBondContact O-N 3.27Å

Retrieved 422 of 422 residues in 1597.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).