A0A096MU11_PAPAN 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 A0A096MU11, Species PAPAN (Papio anubis, Olive baboon), Gene ACADM, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	30.6	Very low	256 Å²	256	157.5 Å²	157.5	100%	1.261	90%	0.904	S	S	*	*				0	84.2	0	-78.2	-177.9	-104.4	0	0	108
2	A	31.7	Very low	30.3	Very low	102 Å²	102	157.5 Å²	157.5	84%	0.843	90%	0.897	S	S	*	*			trans	-134.1	122.6	179.7	0	0	0	0	0	106.1
3	A	30.8	Very low	30	Very low	111 Å²	111	164.3 Å²	164.3	92%	0.917	90%	0.9	S	S	*	*			trans	145.8	111.1	164.8	0	0	0	0	0	108.5
4	G	28.5	Very low	29.9	Very low	76 Å²	76	160.4 Å²	160.4	78%	0.784	89%	0.89	S	S	*	*			trans	158.6	-9.9	172	0	0	0	0	0	117.2
5	F	30.1	Very low	30	Very low	227 Å²	227	158.6 Å²	158.6	100%	0.996	88%	0.876	S	S	*	*			trans	-114	88.4	177.3	-94.6	-95.4	0	0	0	110.2
6	G	31.4	Very low	29.8	Very low	71 Å²	71	155.6 Å²	155.6	73%	0.732	87%	0.87	S	S	*	*			trans	179.8	60.1	-179.6	0	0	0	0	0	114.4
7	R	29.2	Very low	29.9	Very low	258 Å²	258	160.4 Å²	160.4	97%	0.974	87%	0.871	S	S	*	*	S	Bend	trans	-164.3	26.7	161.6	-112.6	171.2	-147	-123	7.5	115.7
8	C	27.8	Very low	29.9	Very low	130 Å²	130	160.1 Å²	160.1	88%	0.878	86%	0.861	S	S	*	*	S	Bend	trans	-113.8	16.8	179.8	-142.2	0	0	0	0	114.8
9	C	29	Very low	29.9	Very low	118 Å²	118	160 Å²	160	80%	0.797	85%	0.854	S	S	*	*			trans	-133.9	77.3	-177.8	-90.7	0	0	0	0	111.5
10	R	27.3	Very low	30	Very low	246 Å²	246	160.5 Å²	160.5	93%	0.928	84%	0.844	S	S	*	*	S	Bend	trans	-159.4	24.6	160.1	-118.2	176.5	-158.6	-167.1	5.1	116.8
11	V	30.6	Very low	30.5	Very low	138 Å²	138	158.7 Å²	158.7	84%	0.836	83%	0.826	S	S	*	*			trans	-131.7	50.8	173.9	-164.8	0	0	0	0	110.8
12	L	26.8	Very low	30.4	Very low	157 Å²	157	149.7 Å²	149.7	82%	0.822	79%	0.787	S	S	*	*			trans	-126.6	27.8	179	-87.6	171.3	0	0	0	113.6
13	R	26.2	Very low	30.4	Very low	246 Å²	246	151.9 Å²	151.9	93%	0.928	78%	0.78	S	S	*	*	S	Bend	trans	-140.8	77.7	171.7	-71.9	-170.2	-179.8	-163.1	-0.2	111.3
14	S	29.2	Very low	30.7	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	77%	0.769	S	S	*	*			trans	174.1	52	152.6	178.4	0	0	0	0	111.2
15	I	30.9	Very low	31	Very low	134 Å²	134	154.7 Å²	154.7	69%	0.687	76%	0.761	S	S	*	*			trans	-133.4	78.8	173.3	-50.1	178.2	0	0	0	108.4	F18	I15-F18 HydrophobicContact CG2-CD2 4.07Å
16	S	27.6	Very low	31.5	Very low	111 Å²	111	154 Å²	154	78%	0.776	76%	0.757	S	S	*	*			trans	-141.1	73.2	165	64.3	0	0	0	0	107.9
17	R	30.4	Very low	31.7	Very low	236 Å²	236	154.9 Å²	154.9	89%	0.891	76%	0.758	S	S	*	*			trans	176.5	61.6	164.9	-99.2	171.5	-151.8	-153.7	7.3	109.3
18	F	30.7	Very low	32.3	Very low	156 Å²	156	149.5 Å²	149.5	68%	0.684	75%	0.748	S	S	*	*			trans	-136.5	104.2	172.5	-82.2	-81.3	0	0	0	110.1	I15	I15-F18 HydrophobicContact CG2-CD2 4.07Å
19	H	29.5	Very low	32.7	Very low	158 Å²	158	154.3 Å²	154.3	73%	0.731	75%	0.748	S	S	*	*			trans	-135.7	68.4	167.5	-145.3	82.8	0	0	0	107.2
20	W	32.6	Very low	33.4	Very low	170 Å²	170	158 Å²	158	64%	0.644	75%	0.753	S	S	*	*			trans	-141.5	93.6	177.9	-73.9	106	0	0	0	108.8	K54	W20-K54 HydrophobicContact CE3-CD 4.27Å; W20-K54 HydrophobicContact CH2-CD 4.3Å; W20-K54 VanDerWaalsContact CH2-CE 3.43Å; W20-K54 HydrophobicContact CZ3-CD 3.79Å
21	R	39.1	Very low	34.3	Very low	123 Å²	123	155.6 Å²	155.6	46%	0.464	74%	0.744	S	S	.	*			trans	-176	140.6	144.9	-110	171.7	175.6	-152.9	-11.3	113.8	E83	R21-E83 PolarHBondContact NH2-O 3.43Å
22	S	39.5	Very low	35.3	Very low	66 Å²	66	157.7 Å²	157.7	46%	0.462	75%	0.745	S	S	.	*			trans	-65.4	140.6	171.8	-176.7	0	0	0	0	110.8	H24	S22-H24 PolarHBondContact O-N 2.91Å
23	Q	31.6	Very low	36.6	Very low	148 Å²	148	156.1 Å²	156.1	69%	0.692	74%	0.744	S	S	*	*			trans	-75.6	116.5	167.2	-67.2	176.6	-8.5	0	0	107.3	T25	Q23-T25 HydrophobicContact CB-CG2 4.3Å; Q23-T25 PolarHBondContact O-N 3.08Å
24	H	37.7	Very low	38	Very low	148 Å²	148	147.4 Å²	147.4	69%	0.685	73%	0.731	S	S	*	*			trans	-70	79.8	165.9	-72.6	-63.7	0	0	0	108.6	S22	S22-H24 PolarHBondContact O-N 2.91Å
25	T	34.4	Very low	39.9	Very low	98 Å²	98	151.6 Å²	151.6	60%	0.601	74%	0.744	S	S	*	*			trans	-79	131.4	165	45.5	0	0	0	0	107.5	Q23 A27	Q23-T25 HydrophobicContact CB-CG2 4.3Å; Q23-T25 PolarHBondContact O-N 3.08Å; T25-A27 VanDerWaalsContact C-N 3.31Å; T25-A27 PolarHBondContact O-N 3.29Å
26	K	39.8	Very low	42.6	Very low	213 Å²	213	148 Å²	148	93%	0.926	74%	0.74	S	S	*	*			trans	-55.7	101.6	162.5	-86.2	180	173	177.6	0	106.9	D28	K26-D28 VanDerWaalsContact C-N 3.29Å; K26-D28 PolarHBondContact O-N 3.1Å
27	A	35.5	Very low	45.8	Very low	90 Å²	90	151.5 Å²	151.5	74%	0.744	74%	0.741	S	S	*	*			trans	-73.6	91.6	173.1	0	0	0	0	0	108.2	T25 R29	T25-A27 VanDerWaalsContact C-N 3.31Å; T25-A27 PolarHBondContact O-N 3.29Å; A27-R29 PolarHBondContact O-N 2.94Å
28	D	41.8	Very low	48.9	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	73%	0.73	S	S	*	*			trans	-70.1	112.6	160.2	-171	11.6	0	0	0	108.8	K26	K26-D28 VanDerWaalsContact C-N 3.29Å; K26-D28 PolarHBondContact O-N 3.1Å
29	R	37.2	Very low	52	Low	232 Å²	232	144.2 Å²	144.2	88%	0.875	73%	0.728	S	S	*	*			trans	-175.8	98.4	137.5	-98.5	173.4	-159.7	-159.7	5.6	108	A27 R31	A27-R29 PolarHBondContact O-N 2.94Å; R29-R31 PolarHBondContact O-N 3.2Å
30	Q	42.5	Very low	55.3	Low	194 Å²	194	141.9 Å²	141.9	91%	0.907	72%	0.717	S	S	*	*			trans	-50.2	103.8	161.2	-69.2	176.8	-21.8	0	0	108.9
31	R	45.9	Very low	58.3	Low	197 Å²	197	135.4 Å²	135.4	74%	0.743	69%	0.694	S	S	*	*			trans	-73.6	126.2	152.7	-94.3	-174.7	176.4	175.4	1.1	105.7	R29 E40	R29-R31 PolarHBondContact O-N 3.2Å; R31-E40 IonicContact NH1-OE2 3.99Å; R31-E40 PolarHBondContact NH1-OE2 2.91Å; R31-E40 VanDerWaalsContact NH1-OE2 3.15Å
32	E	51.4	Low	61.1	Low	181 Å²	181	133.1 Å²	133.1	85%	0.846	69%	0.693	S	S	*	*			trans	-51.1	127.9	165.3	-72.8	-163.5	158.7	0	0	107.9	G34	E32-G34 PolarHBondContact O-N 3.29Å
33	P	54.4	Low	63.8	Low	124 Å²	124	135.3 Å²	135.3	81%	0.805	70%	0.696	S	S	*	*			trans	-59.8	111.2	175.9	18.9	-24.5	0	0	0	107.4	L35	P33-L35 PolarHBondContact O-N 3.09Å
34	G	56.9	Low	66.7	Low	64 Å²	64	133.6 Å²	133.6	66%	0.66	69%	0.688	S	S	*	*			trans	-52.4	136.9	170.9	0	0	0	0	0	108.7	E32 G36	E32-G34 PolarHBondContact O-N 3.29Å; G34-G36 PolarHBondContact O-N 3.35Å
35	L	67.6	Low	69.6	Low	197 Å²	197	127.8 Å²	127.8	100%	1.031	66%	0.661	S	S	*	*	S	Bend	trans	-64.5	19.8	-173	-89.1	147.7	0	0	0	115.2	P33	P33-L35 PolarHBondContact O-N 3.09Å
36	G	88.9	Confident	72.6	Confident	58 Å²	58	126.4 Å²	126.4	60%	0.598	65%	0.647	S	S	*	*	S	Bend	trans	-146.5	-169	-172.2	0	0	0	0	0	114.7	G34	G34-G36 PolarHBondContact O-N 3.35Å
37	F	94.2	Very high	75.2	Confident	185 Å²	185	120.2 Å²	120.2	81%	0.811	62%	0.621	S	S	*	*			trans	-66	137.7	179.4	-74.2	-102	0	0	0	111.3	F39	F37-F39 HydrophobicContact CB-CE2 4.38Å
38	S	95.9	Very high	78.1	Confident	92 Å²	92	117 Å²	117	64%	0.643	59%	0.59	S	S	*	*			trans	-128.9	136.4	169.2	-178.3	0	0	0	0	109.9	E40	S38-E40 PolarHBondContact OG-N 3.44Å
39	F	96.6	Very high	80.8	Confident	147 Å²	147	112 Å²	112	65%	0.645	56%	0.563	S	S	*	*			trans	-112.9	8.8	169.6	-64	-91.2	0	0	0	111.1	F37 M368	F37-F39 HydrophobicContact CB-CE2 4.38Å; F39-M368 HydrophobicContact CE1-CG 4.48Å; F39-M368 HydrophobicContact CE1-SD 4.23Å
40	E	97.2	Very high	83.7	Confident	108 Å²	108	103.6 Å²	103.6	51%	0.505	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-85.2	127.3	178.3	-169.7	174.6	-166.1	0	0	110.1	R31 S38 K46	R31-E40 IonicContact NH1-OE2 3.99Å; R31-E40 PolarHBondContact NH1-OE2 2.91Å; R31-E40 VanDerWaalsContact NH1-OE2 3.15Å; S38-E40 PolarHBondContact OG-N 3.44Å; E40-K46 IonicContact OE1-NZ 2.9Å; E40-K46 PolarHBondContact OE1-NZ 2.88Å
41	F	97.2	Very high	86.4	Confident	35 Å²	35	96.9 Å²	96.9	15%	0.154	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-69.9	148.9	170.8	-68.5	-15.3	0	0	0	111.4	Q45 K46 F136	F41-Q45 HydrophobicContact CB-CB 3.87Å; F41-Q45 HydrophobicContact CG-CB 4.29Å; F41-K46 HydrophobicContact CB-CG 4Å; F41-K46 VanDerWaalsContact O-CE 3.31Å; F41-K46 WeakPolarHBondContact O-CE 3.43Å; F41-F136 AromaticContact CD1-CE1 3.8Å; F41-F136 HydrophobicContact CD1-CE1 3.8Å; F41-F136 HydrophobicContact CD1-CZ 4.15Å; F41-F136 AromaticContact CE1-CE1 3.52Å; F41-F136 HydrophobicContact CE1-CE1 3.52Å; F41-F136 AromaticContact CE1-CZ 3.68Å; F41-F136 HydrophobicContact CE1-CZ 3.68Å; F41-F136 HydrophobicContact CZ-CE1 4.43Å
42	T	96.8	Very high	88.9	Confident	74 Å²	74	87.5 Å²	87.5	45%	0.454	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-65.2	160.5	167.7	71.4	0	0	0	0	110.4	Q44 Q45 K46	T42-Q44 VanDerWaalsContact C-N 3.27Å; T42-Q44 PolarHBondContact O-N 3.49Å; T42-Q45 WeakPolarHBondContact O-CB 3.17Å; T42-Q45 PolarHBondContact O-N 3.21Å; T42-Q45 VanDerWaalsContact O-N 3.15Å; T42-Q45 WeakPolarHBondContact OG1-CB 3.18Å; T42-Q45 VanDerWaalsContact OG1-CG 3.28Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.38Å; T42-Q45 PolarHBondContact OG1-N 3.09Å; T42-Q45 VanDerWaalsContact OG1-N 3.13Å; T42-K46 WeakPolarHBondContact O-CG 3.19Å; T42-K46 PolarHBondContact O-N 3.11Å
43	E	95.8	Very high	91.1	Very high	113 Å²	113	83.3 Å²	83.3	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-60.2	-39.4	176.1	-63.7	-53.6	120	0	0	111.7	Q45 K46 E47	E43-Q45 VanDerWaalsContact C-N 3.33Å; E43-Q45 PolarHBondContact O-N 3.16Å; E43-K46 WeakPolarHBondContact O-CB 3.49Å; E43-K46 PolarHBondContact O-N 3.33Å; E43-K46 VanDerWaalsContact O-N 3.15Å; E43-K46 IonicContact OE1-NZ 2.95Å; E43-K46 PolarHBondContact OE1-NZ 2.96Å; E43-E47 WeakPolarHBondContact O-CG 3.44Å; E43-E47 PolarHBondContact O-N 3.13Å
44	Q	94	Very high	93.2	Very high	111 Å²	111	80 Å²	80	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-60.2	-42	174.6	-170.9	-176.8	33.2	0	0	112.1	T42 E47 F48	T42-Q44 VanDerWaalsContact C-N 3.27Å; T42-Q44 PolarHBondContact O-N 3.49Å; Q44-E47 PolarHBondContact O-N 2.97Å; Q44-F48 HydrophobicContact CG-CD2 4Å; Q44-F48 HydrophobicContact CG-CE2 3.62Å; Q44-F48 VanDerWaalsContact O-CD2 3.26Å; Q44-F48 WeakPolarHBondContact O-CD2 3.37Å; Q44-F48 PolarHBondContact O-N 3.39Å
45	Q	97.1	Very high	95.2	Very high	26 Å²	26	77 Å²	77	12%	0.121	40%	0.398	C	S	.	.	H	α-helix	trans	-64.1	-40	175.1	-77.3	172.1	-19.1	0	0	112.2	F41 T42 E43 E47 F48 Q49 D137 L140	F41-Q45 HydrophobicContact CB-CB 3.87Å; F41-Q45 HydrophobicContact CG-CB 4.29Å; T42-Q45 WeakPolarHBondContact O-CB 3.17Å; T42-Q45 PolarHBondContact O-N 3.21Å; T42-Q45 VanDerWaalsContact O-N 3.15Å; T42-Q45 WeakPolarHBondContact OG1-CB 3.18Å; T42-Q45 VanDerWaalsContact OG1-CG 3.28Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.38Å; T42-Q45 PolarHBondContact OG1-N 3.09Å; T42-Q45 VanDerWaalsContact OG1-N 3.13Å; E43-Q45 VanDerWaalsContact C-N 3.33Å; E43-Q45 PolarHBondContact O-N 3.16Å; Q45-E47 VanDerWaalsContact C-N 3.32Å; Q45-E47 PolarHBondContact O-N 3.35Å; Q45-F48 PolarHBondContact O-N 3.2Å; Q45-Q49 WeakPolarHBondContact O-CB 3.16Å; Q45-Q49 PolarHBondContact O-N 3.47Å; Q45-D137 WeakPolarHBondContact CG-OD1 3.39Å; Q45-D137 PolarHBondContact NE2-OD1 3.38Å; Q45-L140 HydrophobicContact CB-CD2 3.74Å; Q45-L140 HydrophobicContact CG-CD2 3.7Å
46	K	97.6	Very high	96.7	Very high	70 Å²	70	67.7 Å²	67.7	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-38.7	174.4	-67	171.4	-172.5	167	0	111.5	E40 F41 T42 E43 Q49 A50	E40-K46 IonicContact OE1-NZ 2.9Å; E40-K46 PolarHBondContact OE1-NZ 2.88Å; F41-K46 HydrophobicContact CB-CG 4Å; F41-K46 VanDerWaalsContact O-CE 3.31Å; F41-K46 WeakPolarHBondContact O-CE 3.43Å; T42-K46 WeakPolarHBondContact O-CG 3.19Å; T42-K46 PolarHBondContact O-N 3.11Å; E43-K46 WeakPolarHBondContact O-CB 3.49Å; E43-K46 PolarHBondContact O-N 3.33Å; E43-K46 VanDerWaalsContact O-N 3.15Å; E43-K46 IonicContact OE1-NZ 2.95Å; E43-K46 PolarHBondContact OE1-NZ 2.96Å; K46-Q49 PolarHBondContact O-N 2.91Å; K46-A50 VanDerWaalsContact O-CB 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.42Å; K46-A50 PolarHBondContact O-N 3.25Å
47	E	95.8	Very high	97.2	Very high	82 Å²	82	69.7 Å²	69.7	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-45.4	176.1	-72.7	178.6	-167.2	0	0	112.8	E43 Q44 Q45 Q49 A50 T51	E43-E47 WeakPolarHBondContact O-CG 3.44Å; E43-E47 PolarHBondContact O-N 3.13Å; Q44-E47 PolarHBondContact O-N 2.97Å; Q45-E47 VanDerWaalsContact C-N 3.32Å; Q45-E47 PolarHBondContact O-N 3.35Å; E47-Q49 VanDerWaalsContact C-N 3.34Å; E47-A50 PolarHBondContact O-N 2.87Å; E47-T51 WeakPolarHBondContact O-CB 3.43Å; E47-T51 PolarHBondContact O-N 2.98Å; E47-T51 PolarHBondContact O-OG1 2.9Å
48	F	96.4	Very high	97.4	Very high	22 Å²	22	66.3 Å²	66.3	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-43.5	174.2	-75.8	-55.8	0	0	0	111.2	Q44 Q45 A50 T51 A52 L133 L140 I141	Q44-F48 HydrophobicContact CG-CD2 4Å; Q44-F48 HydrophobicContact CG-CE2 3.62Å; Q44-F48 VanDerWaalsContact O-CD2 3.26Å; Q44-F48 WeakPolarHBondContact O-CD2 3.37Å; Q44-F48 PolarHBondContact O-N 3.39Å; Q45-F48 PolarHBondContact O-N 3.2Å; F48-A50 PolarHBondContact O-N 3.3Å; F48-T51 PolarHBondContact O-N 3.09Å; F48-A52 WeakPolarHBondContact O-CB 3.5Å; F48-A52 PolarHBondContact O-N 3.17Å; F48-L133 HydrophobicContact CD2-CD1 4.39Å; F48-L133 HydrophobicContact CE1-CD1 4.27Å; F48-L133 HydrophobicContact CE2-CD1 3.86Å; F48-L133 HydrophobicContact CE2-CD2 3.74Å; F48-L133 HydrophobicContact CE2-CG 4.48Å; F48-L133 HydrophobicContact CZ-CD1 3.81Å; F48-L133 HydrophobicContact CZ-CD2 4.01Å; F48-L140 HydrophobicContact CB-CD1 3.85Å; F48-I141 HydrophobicContact CB-CD1 4.32Å; F48-I141 HydrophobicContact CB-CG1 4.23Å; F48-I141 HydrophobicContact CD1-CD1 4.38Å; F48-I141 HydrophobicContact CG-CD1 4.41Å
49	Q	98.1	Very high	97.5	Very high	40 Å²	40	65.1 Å²	65.1	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-48.1	175.5	-170.2	-178.4	51	0	0	111.2	Q45 K46 E47 T51 A52 R53 L140 E144	Q45-Q49 WeakPolarHBondContact O-CB 3.16Å; Q45-Q49 PolarHBondContact O-N 3.47Å; K46-Q49 PolarHBondContact O-N 2.91Å; E47-Q49 VanDerWaalsContact C-N 3.34Å; Q49-T51 VanDerWaalsContact C-N 3.33Å; Q49-T51 PolarHBondContact O-N 3.19Å; Q49-A52 PolarHBondContact O-N 3.37Å; Q49-R53 VanDerWaalsContact NE2-NH2 3.13Å; Q49-R53 WeakPolarHBondContact O-CB 3.38Å; Q49-R53 PolarHBondContact O-N 3.36Å; Q49-L140 HydrophobicContact CB-CD1 3.9Å; Q49-E144 HydrophobicContact CG-CG 3.93Å; Q49-E144 WeakPolarHBondContact CG-OE1 3.47Å; Q49-E144 PolarHBondContact NE2-OE1 3.05Å
50	A	98.1	Very high	97.6	Very high	56 Å²	56	58.1 Å²	58.1	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-42.1	-179.7	0	0	0	0	0	111.7	K46 E47 F48 K54	K46-A50 VanDerWaalsContact O-CB 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.42Å; K46-A50 PolarHBondContact O-N 3.25Å; E47-A50 PolarHBondContact O-N 2.87Å; F48-A50 PolarHBondContact O-N 3.3Å; A50-K54 VanDerWaalsContact O-CB 3.23Å; A50-K54 WeakPolarHBondContact O-CB 3.12Å; A50-K54 PolarHBondContact O-N 3.12Å
51	T	98.1	Very high	97.7	Very high	52 Å²	52	55.1 Å²	55.1	32%	0.319	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-50	177.6	-57.7	0	0	0	0	111.2	E47 F48 Q49 K54 F55 L86	E47-T51 WeakPolarHBondContact O-CB 3.43Å; E47-T51 PolarHBondContact O-N 2.98Å; E47-T51 PolarHBondContact O-OG1 2.9Å; F48-T51 PolarHBondContact O-N 3.09Å; Q49-T51 VanDerWaalsContact C-N 3.33Å; Q49-T51 PolarHBondContact O-N 3.19Å; T51-K54 PolarHBondContact O-N 3.3Å; T51-F55 WeakPolarHBondContact O-CB 3.36Å; T51-F55 PolarHBondContact O-N 3.22Å; T51-L86 HydrophobicContact CG2-CD1 4.49Å; T51-L86 HydrophobicContact CG2-CD2 4.27Å
52	A	98.6	Very high	97.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-43.5	178.7	0	0	0	0	0	112	F48 Q49 K54 F55 A56 L86 I141 E144	F48-A52 WeakPolarHBondContact O-CB 3.5Å; F48-A52 PolarHBondContact O-N 3.17Å; Q49-A52 PolarHBondContact O-N 3.37Å; A52-K54 PolarHBondContact O-N 3.36Å; A52-F55 PolarHBondContact O-N 3.14Å; A52-A56 WeakPolarHBondContact O-CB 3.27Å; A52-A56 PolarHBondContact O-N 3.15Å; A52-L86 HydrophobicContact CB-CD1 4.24Å; A52-L86 HydrophobicContact CB-CD2 4.05Å; A52-I141 HydrophobicContact CB-CG2 4.24Å; A52-E144 HydrophobicContact CB-CB 3.74Å; A52-E144 HydrophobicContact CB-CG 4.27Å
53	R	98.6	Very high	97.9	Very high	93 Å²	93	56.9 Å²	56.9	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-46.7	177.1	-176.8	173.3	-66.8	158.7	3.1	112.1	Q49 A56 R57 E144	Q49-R53 VanDerWaalsContact NE2-NH2 3.13Å; Q49-R53 WeakPolarHBondContact O-CB 3.38Å; Q49-R53 PolarHBondContact O-N 3.36Å; R53-A56 PolarHBondContact O-N 3.49Å; R53-R57 WeakPolarHBondContact O-CB 3.5Å; R53-R57 VanDerWaalsContact O-CG 3.31Å; R53-R57 WeakPolarHBondContact O-CG 3.45Å; R53-R57 PolarHBondContact O-N 2.9Å; R53-E144 HydrophobicContact CB-CG 4.28Å; R53-E144 WeakPolarHBondContact CB-OE2 3.34Å; R53-E144 VanDerWaalsContact CG-OE2 3.28Å; R53-E144 WeakPolarHBondContact CG-OE2 3.36Å; R53-E144 IonicContact CZ-OE1 3.99Å; R53-E144 IonicContact CZ-OE2 2.71Å; R53-E144 IonicContact NE-OE1 3.89Å; R53-E144 PolarHBondContact NE-OE1 3.07Å; R53-E144 IonicContact NE-OE2 3.43Å; R53-E144 PolarHBondContact NE-OE2 2.55Å; R53-E144 IonicContact NH2-OE1 2.74Å; R53-E144 PolarHBondContact NH2-OE1 3.48Å; R53-E144 IonicContact NH2-OE2 3.28Å
54	K	98.4	Very high	98	Very high	54 Å²	54	51.9 Å²	51.9	24%	0.235	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-49	178.4	179.9	-174.3	158.6	68.3	0	110.4	W20 A50 T51 A52 A56 R57 E58	W20-K54 HydrophobicContact CE3-CD 4.27Å; W20-K54 HydrophobicContact CH2-CD 4.3Å; W20-K54 VanDerWaalsContact CH2-CE 3.43Å; W20-K54 HydrophobicContact CZ3-CD 3.79Å; A50-K54 VanDerWaalsContact O-CB 3.23Å; A50-K54 WeakPolarHBondContact O-CB 3.12Å; A50-K54 PolarHBondContact O-N 3.12Å; T51-K54 PolarHBondContact O-N 3.3Å; A52-K54 PolarHBondContact O-N 3.36Å; K54-A56 PolarHBondContact O-N 2.84Å; K54-R57 PolarHBondContact O-N 3.23Å; K54-E58 WeakPolarHBondContact CE-OE2 3.5Å; K54-E58 HydrophobicContact CG-CG 4.38Å; K54-E58 WeakPolarHBondContact CG-OE1 3.43Å; K54-E58 IonicContact NZ-OE1 2.71Å; K54-E58 PolarHBondContact NZ-OE1 2.71Å; K54-E58 IonicContact NZ-OE2 3.23Å; K54-E58 PolarHBondContact NZ-OE2 3.05Å; K54-E58 WeakPolarHBondContact O-CB 3.35Å; K54-E58 PolarHBondContact O-N 2.79Å
55	F	98.8	Very high	98.2	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-45.8	176.9	174.8	-118.8	0	0	0	112.1	T51 A52 R57 E59 I60 L77 R80 A81 L84 L86 L145	T51-F55 WeakPolarHBondContact O-CB 3.36Å; T51-F55 PolarHBondContact O-N 3.22Å; A52-F55 PolarHBondContact O-N 3.14Å; F55-R57 PolarHBondContact O-N 2.69Å; F55-E59 HydrophobicContact CD2-CB 3.64Å; F55-E59 HydrophobicContact CD2-CG 3.8Å; F55-E59 WeakPolarHBondContact CD2-OE1 3.4Å; F55-E59 HydrophobicContact CE2-CB 3.6Å; F55-E59 HydrophobicContact CE2-CG 4.11Å; F55-E59 WeakPolarHBondContact O-CA 3.43Å; F55-E59 WeakPolarHBondContact O-CB 3.47Å; F55-E59 PolarHBondContact O-N 3.42Å; F55-I60 HydrophobicContact CD1-CD1 3.98Å; F55-I60 HydrophobicContact CD1-CG1 4.26Å; F55-I60 HydrophobicContact CE1-CD1 3.65Å; F55-I60 HydrophobicContact CE1-CG1 3.87Å; F55-I60 HydrophobicContact CZ-CD1 4.29Å; F55-I60 HydrophobicContact CZ-CG1 4.03Å; F55-I60 PolarHBondContact O-N 3.04Å; F55-L77 HydrophobicContact CE2-CD2 4.29Å; F55-L77 HydrophobicContact CZ-CB 4.32Å; F55-L77 HydrophobicContact CZ-CD2 4.21Å; F55-L77 WeakPolarHBondContact CZ-O 3.45Å; F55-R80 HydrophobicContact CD2-CG 4Å; F55-R80 HydrophobicContact CE2-CB 3.86Å; F55-R80 HydrophobicContact CE2-CG 3.43Å; F55-R80 VanDerWaalsContact CE2-CG 3.43Å; F55-R80 HydrophobicContact CZ-CB 4.19Å; F55-R80 HydrophobicContact CZ-CG 4.21Å; F55-A81 HydrophobicContact CE1-CB 3.81Å; F55-A81 HydrophobicContact CZ-CB 4.14Å; F55-L84 HydrophobicContact CB-CD1 3.85Å; F55-L84 HydrophobicContact CD1-CD1 4.48Å; F55-L84 HydrophobicContact CD2-CD1 3.62Å; F55-L84 HydrophobicContact CE2-CD1 4.34Å; F55-L84 HydrophobicContact CG-CD1 3.72Å; F55-L86 HydrophobicContact CB-CD1 4.08Å; F55-L86 HydrophobicContact CD1-CD1 3.77Å; F55-L86 HydrophobicContact CG-CD1 4.15Å; F55-L145 HydrophobicContact CD1-CD2 3.56Å; F55-L145 HydrophobicContact CE1-CD2 3.9Å
56	A	98.8	Very high	98.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-59.6	-46.4	177.3	0	0	0	0	0	112.1	A52 R53 K54 I60 I61 E144	A52-A56 WeakPolarHBondContact O-CB 3.27Å; A52-A56 PolarHBondContact O-N 3.15Å; R53-A56 PolarHBondContact O-N 3.49Å; K54-A56 PolarHBondContact O-N 2.84Å; A56-I60 HydrophobicContact CB-CD1 4.37Å; A56-I60 WeakPolarHBondContact O-CB 3.44Å; A56-I60 PolarHBondContact O-N 2.7Å; A56-I61 WeakPolarHBondContact O-CG1 3.22Å; A56-I61 PolarHBondContact O-N 3.15Å; A56-E144 WeakPolarHBondContact CB-O 3.36Å
57	R	98.4	Very high	98.4	Very high	100 Å²	100	51.7 Å²	51.7	38%	0.377	27%	0.27	S	S	.	.	I	π-helix	trans	-74.8	-39.3	-175.9	-68.6	179.2	-174.7	-82.8	-2.2	113.8	R53 K54 F55 I61 Y147	R53-R57 WeakPolarHBondContact O-CB 3.5Å; R53-R57 VanDerWaalsContact O-CG 3.31Å; R53-R57 WeakPolarHBondContact O-CG 3.45Å; R53-R57 PolarHBondContact O-N 2.9Å; K54-R57 PolarHBondContact O-N 3.23Å; F55-R57 PolarHBondContact O-N 2.69Å; R57-I61 HydrophobicContact CG-CD1 4.24Å; R57-Y147 PolarHBondContact NH1-OH 3.29Å; R57-Y147 PolarHBondContact NH2-OH 2.98Å
58	E	98.6	Very high	98.5	Very high	115 Å²	115	48 Å²	48	54%	0.537	25%	0.253	S	S	.	.	I	π-helix	trans	-91.9	-28.2	-174.1	-65.8	-179.4	-166.8	0	0	113.4	K54	K54-E58 WeakPolarHBondContact CE-OE2 3.5Å; K54-E58 HydrophobicContact CG-CG 4.38Å; K54-E58 WeakPolarHBondContact CG-OE1 3.43Å; K54-E58 IonicContact NZ-OE1 2.71Å; K54-E58 PolarHBondContact NZ-OE1 2.71Å; K54-E58 IonicContact NZ-OE2 3.23Å; K54-E58 PolarHBondContact NZ-OE2 3.05Å; K54-E58 WeakPolarHBondContact O-CB 3.35Å; K54-E58 PolarHBondContact O-N 2.79Å
59	E	98.8	Very high	98.6	Very high	67 Å²	67	54.2 Å²	54.2	31%	0.313	28%	0.28	S	S	.	.	I	π-helix	trans	-116.1	-39.9	-173.4	-53.3	-162.5	-130.8	0	0	112.8	F55 V63 L77 R80	F55-E59 HydrophobicContact CD2-CB 3.64Å; F55-E59 HydrophobicContact CD2-CG 3.8Å; F55-E59 WeakPolarHBondContact CD2-OE1 3.4Å; F55-E59 HydrophobicContact CE2-CB 3.6Å; F55-E59 HydrophobicContact CE2-CG 4.11Å; F55-E59 WeakPolarHBondContact O-CA 3.43Å; F55-E59 WeakPolarHBondContact O-CB 3.47Å; F55-E59 PolarHBondContact O-N 3.42Å; E59-V63 WeakPolarHBondContact O-CG2 3.47Å; E59-L77 HydrophobicContact CB-CD2 4.17Å; E59-R80 IonicContact OE1-NE 3.21Å; E59-R80 PolarHBondContact OE1-NE 2.9Å; E59-R80 IonicContact OE1-NH2 3.27Å; E59-R80 WeakPolarHBondContact OE2-CG 3.28Å; E59-R80 IonicContact OE2-NE 3.77Å
60	I	98.8	Very high	98.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-81.3	-55.1	-178.4	-55.3	-179.3	0	0	0	112.1	F55 A56 P62 V63 A64 L77 L145 C149 V152	F55-I60 HydrophobicContact CD1-CD1 3.98Å; F55-I60 HydrophobicContact CD1-CG1 4.26Å; F55-I60 HydrophobicContact CE1-CD1 3.65Å; F55-I60 HydrophobicContact CE1-CG1 3.87Å; F55-I60 HydrophobicContact CZ-CD1 4.29Å; F55-I60 HydrophobicContact CZ-CG1 4.03Å; F55-I60 PolarHBondContact O-N 3.04Å; A56-I60 HydrophobicContact CB-CD1 4.37Å; A56-I60 WeakPolarHBondContact O-CB 3.44Å; A56-I60 PolarHBondContact O-N 2.7Å; I60-P62 VanDerWaalsContact C-CD 3.46Å; I60-V63 WeakPolarHBondContact O-CG2 3.49Å; I60-V63 PolarHBondContact O-N 3.45Å; I60-A64 WeakPolarHBondContact O-CB 3.49Å; I60-A64 PolarHBondContact O-N 3.44Å; I60-L77 HydrophobicContact CG1-CD1 4.36Å; I60-L77 HydrophobicContact CG1-CD2 4.4Å; I60-L77 HydrophobicContact CG2-CD1 4.47Å; I60-L145 HydrophobicContact CD1-CD2 3.96Å; I60-C149 HydrophobicContact CG2-CB 3.5Å; I60-C149 VanDerWaalsContact CG2-CB 3.5Å; I60-V152 HydrophobicContact CD1-CG1 4.37Å; I60-V152 HydrophobicContact CG2-CB 4.49Å; I60-V152 HydrophobicContact CG2-CG2 4.22Å
61	I	98.8	Very high	98.7	Very high	45 Å²	45	53.6 Å²	53.6	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-52.8	-46.4	-174.1	-70.8	179.7	0	0	0	112.9	A56 R57 V63 A64 Y147	A56-I61 WeakPolarHBondContact O-CG1 3.22Å; A56-I61 PolarHBondContact O-N 3.15Å; R57-I61 HydrophobicContact CG-CD1 4.24Å; I61-V63 PolarHBondContact O-N 3.03Å; I61-V63 VanDerWaalsContact O-N 3.12Å; I61-A64 PolarHBondContact O-N 3.14Å; I61-Y147 HydrophobicContact CD1-CD1 4.03Å; I61-Y147 HydrophobicContact CD1-CE1 3.75Å
62	P	98.8	Very high	98.7	Very high	91 Å²	91	56.9 Å²	56.9	59%	0.591	29%	0.287	S	S	*	.	H	α-helix	trans	-62	-23.5	-174.7	-26.5	37.5	0	0	0	114.8	I60	I60-P62 VanDerWaalsContact C-CD 3.46Å
63	V	98.8	Very high	98.7	Very high	55 Å²	55	57.8 Å²	57.8	33%	0.333	29%	0.291	S	S	.	.	H	α-helix	trans	-116.4	-4.6	-175.1	-61.1	0	0	0	0	113.3	E59 I60 I61 A65 E66 Y67 L77	E59-V63 WeakPolarHBondContact O-CG2 3.47Å; I60-V63 WeakPolarHBondContact O-CG2 3.49Å; I60-V63 PolarHBondContact O-N 3.45Å; I61-V63 PolarHBondContact O-N 3.03Å; I61-V63 VanDerWaalsContact O-N 3.12Å; V63-A65 VanDerWaalsContact C-N 3.31Å; V63-A65 PolarHBondContact O-N 3.48Å; V63-E66 PolarHBondContact O-N 3.5Å; V63-Y67 HydrophobicContact CB-CD2 4.06Å; V63-Y67 HydrophobicContact CB-CE2 4.04Å; V63-Y67 HydrophobicContact CG2-CD2 3.83Å; V63-Y67 HydrophobicContact CG2-CE2 3.68Å; V63-Y67 WeakPolarHBondContact O-CD2 3.31Å; V63-Y67 PolarHBondContact O-N 3.25Å; V63-Y67 VanDerWaalsContact O-N 3.09Å; V63-L77 HydrophobicContact CG2-CD1 3.93Å; V63-L77 HydrophobicContact CG2-CD2 4.5Å
64	A	98.8	Very high	98.7	Very high	7 Å²	7	53.4 Å²	53.4	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-36.2	-175	0	0	0	0	0	113.8	I60 I61 D68 C149	I60-A64 WeakPolarHBondContact O-CB 3.49Å; I60-A64 PolarHBondContact O-N 3.44Å; I61-A64 PolarHBondContact O-N 3.14Å; A64-D68 WeakPolarHBondContact O-CB 3.49Å; A64-D68 PolarHBondContact O-N 3.13Å; A64-D68 VanDerWaalsContact O-N 3.11Å; A64-C149 HydrophobicContact CB-CB 3.82Å
65	A	98.6	Very high	98.7	Very high	69 Å²	69	54.5 Å²	54.5	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-68.6	-40	177.9	0	0	0	0	0	111.8	V63 D68 K69	V63-A65 VanDerWaalsContact C-N 3.31Å; V63-A65 PolarHBondContact O-N 3.48Å; A65-D68 PolarHBondContact O-N 3.13Å; A65-K69 WeakPolarHBondContact O-CB 3.34Å; A65-K69 PolarHBondContact O-N 2.89Å
66	E	98.8	Very high	98.7	Very high	106 Å²	106	58.3 Å²	58.3	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-46	178.7	-174.2	59.1	-160.7	0	0	111.1	V63 D68 K69 T70	V63-E66 PolarHBondContact O-N 3.5Å; E66-D68 VanDerWaalsContact C-N 3.28Å; E66-D68 PolarHBondContact O-N 3.45Å; E66-K69 WeakPolarHBondContact O-CB 3.29Å; E66-K69 PolarHBondContact O-N 3.32Å; E66-K69 VanDerWaalsContact O-N 3.13Å; E66-T70 HydrophobicContact CG-CG2 4.29Å; E66-T70 WeakPolarHBondContact O-CG2 3.26Å; E66-T70 PolarHBondContact O-N 3.21Å; E66-T70 PolarHBondContact O-OG1 2.93Å; E66-T70 VanDerWaalsContact O-OG1 3.11Å; E66-T70 WeakPolarHBondContact OE1-CG2 3.3Å
67	Y	98.9	Very high	98.7	Very high	28 Å²	28	58.8 Å²	58.8	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-37	175.1	-83.7	-63	0	0	0	113.1	V63 G71 E72 P74 L77 C277	V63-Y67 HydrophobicContact CB-CD2 4.06Å; V63-Y67 HydrophobicContact CB-CE2 4.04Å; V63-Y67 HydrophobicContact CG2-CD2 3.83Å; V63-Y67 HydrophobicContact CG2-CE2 3.68Å; V63-Y67 WeakPolarHBondContact O-CD2 3.31Å; V63-Y67 PolarHBondContact O-N 3.25Å; V63-Y67 VanDerWaalsContact O-N 3.09Å; Y67-G71 VanDerWaalsContact O-CA 3.31Å; Y67-G71 WeakPolarHBondContact O-CA 3.24Å; Y67-G71 PolarHBondContact O-N 2.9Å; Y67-E72 HydrophobicContact CD1-CB 4.03Å; Y67-E72 HydrophobicContact CD1-CG 4.5Å; Y67-E72 WeakPolarHBondContact CD1-O 3.44Å; Y67-E72 HydrophobicContact CE1-CB 4.2Å; Y67-E72 HydrophobicContact CE1-CG 4.18Å; Y67-P74 HydrophobicContact CD1-CB 4.1Å; Y67-P74 HydrophobicContact CD2-CB 4.41Å; Y67-P74 HydrophobicContact CE1-CB 3.93Å; Y67-P74 HydrophobicContact CE2-CB 4.24Å; Y67-P74 HydrophobicContact CG-CB 4.35Å; Y67-L77 HydrophobicContact CD2-CD1 4.24Å; Y67-L77 HydrophobicContact CE2-CD1 3.91Å; Y67-L77 HydrophobicContact CE2-CG 4.42Å; Y67-C277 WeakPolarHBondContact O-CB 3.39Å
68	D	98.8	Very high	98.7	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.032	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-43.6	174.6	174.4	65.8	0	0	0	111.3	A64 A65 E66 R276 K422 R425	A64-D68 WeakPolarHBondContact O-CB 3.49Å; A64-D68 PolarHBondContact O-N 3.13Å; A64-D68 VanDerWaalsContact O-N 3.11Å; A65-D68 PolarHBondContact O-N 3.13Å; E66-D68 VanDerWaalsContact C-N 3.28Å; E66-D68 PolarHBondContact O-N 3.45Å; D68-R276 VanDerWaalsContact CG-NH2 3.29Å; D68-R276 WeakPolarHBondContact O-CB 3.31Å; D68-R276 PolarHBondContact O-NE 3.07Å; D68-R276 PolarHBondContact O-NH2 3.23Å; D68-R276 VanDerWaalsContact O-NH2 3.15Å; D68-R276 IonicContact OD1-CZ 3.64Å; D68-R276 IonicContact OD1-NE 2.84Å; D68-R276 PolarHBondContact OD1-NE 3.22Å; D68-R276 IonicContact OD1-NH2 3.61Å; D68-R276 IonicContact OD2-CZ 3.49Å; D68-R276 IonicContact OD2-NE 3.49Å; D68-R276 PolarHBondContact OD2-NE 2.86Å; D68-R276 IonicContact OD2-NH2 2.69Å; D68-R276 PolarHBondContact OD2-NH2 3.43Å; D68-K422 HydrophobicContact CB-CD 3.72Å; D68-K422 VanDerWaalsContact CB-CE 3.42Å; D68-K422 HydrophobicContact CB-CG 4.4Å; D68-R425 IonicContact OD1-CZ 3.86Å; D68-R425 IonicContact OD1-NH1 3.04Å; D68-R425 PolarHBondContact OD1-NH1 3.49Å; D68-R425 IonicContact OD1-NH2 3.74Å; D68-R425 IonicContact OD2-CZ 3.5Å; D68-R425 IonicContact OD2-NH1 3.42Å; D68-R425 PolarHBondContact OD2-NH1 3.06Å; D68-R425 IonicContact OD2-NH2 2.71Å; D68-R425 PolarHBondContact OD2-NH2 2.83Å
69	K	98.7	Very high	98.7	Very high	152 Å²	152	55.5 Å²	55.5	66%	0.661	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-47.1	177.8	-178.2	-176.2	176.8	-173.8	0	112.8	A65 E66	A65-K69 WeakPolarHBondContact O-CB 3.34Å; A65-K69 PolarHBondContact O-N 2.89Å; E66-K69 WeakPolarHBondContact O-CB 3.29Å; E66-K69 PolarHBondContact O-N 3.32Å; E66-K69 VanDerWaalsContact O-N 3.13Å
70	T	98.7	Very high	98.6	Very high	70 Å²	70	55.6 Å²	55.6	43%	0.429	29%	0.294	S	S	.	.	H	α-helix	trans	-81.1	-26.2	-176.6	63.3	0	0	0	0	112.6	E66 E72	E66-T70 HydrophobicContact CG-CG2 4.29Å; E66-T70 WeakPolarHBondContact O-CG2 3.26Å; E66-T70 PolarHBondContact O-N 3.21Å; E66-T70 PolarHBondContact O-OG1 2.93Å; E66-T70 VanDerWaalsContact O-OG1 3.11Å; E66-T70 WeakPolarHBondContact OE1-CG2 3.3Å; T70-E72 PolarHBondContact O-N 3.4Å; T70-E72 WeakPolarHBondContact OG1-CB 3.42Å; T70-E72 PolarHBondContact OG1-N 2.98Å
71	G	98.6	Very high	98.5	Very high	13 Å²	13	55.6 Å²	55.6	13%	0.134	29%	0.294	C	S	.	.			trans	68	12.6	-170.7	0	0	0	0	0	113.6	Y67 K269 R276	Y67-G71 VanDerWaalsContact O-CA 3.31Å; Y67-G71 WeakPolarHBondContact O-CA 3.24Å; Y67-G71 PolarHBondContact O-N 2.9Å; G71-K269 WeakPolarHBondContact O-CE 3.33Å; G71-K269 PolarHBondContact O-NZ 3.11Å; G71-R276 WeakPolarHBondContact CA-O 3.38Å
72	E	98.8	Very high	98.5	Very high	121 Å²	121	55.9 Å²	55.9	57%	0.565	29%	0.292	S	S	*	.			trans	-62.3	142	177.9	-176.1	176.8	-175.9	0	0	110.6	Y67 T70 C277	Y67-E72 HydrophobicContact CD1-CB 4.03Å; Y67-E72 HydrophobicContact CD1-CG 4.5Å; Y67-E72 WeakPolarHBondContact CD1-O 3.44Å; Y67-E72 HydrophobicContact CE1-CB 4.2Å; Y67-E72 HydrophobicContact CE1-CG 4.18Å; T70-E72 PolarHBondContact O-N 3.4Å; T70-E72 WeakPolarHBondContact OG1-CB 3.42Å; T70-E72 PolarHBondContact OG1-N 2.98Å; E72-C277 VanDerWaalsContact O-CB 3.24Å; E72-C277 WeakPolarHBondContact O-CB 3.48Å
73	Y	98.8	Very high	98.3	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.075	28%	0.28	C	S	.	.			trans	-75.1	127.1	177.3	-166.7	-111.8	0	0	0	109.8	V75 I78 A155 M188 N227 K230 D279	Y73-V75 HydrophobicContact CD1-CG2 3.8Å; Y73-V75 PolarHBondContact O-N 3.33Å; Y73-I78 HydrophobicContact CD1-CD1 4.02Å; Y73-I78 HydrophobicContact CE1-CD1 3.3Å; Y73-I78 HydrophobicContact CE2-CD1 4.19Å; Y73-I78 VanDerWaalsContact CZ-CD1 3.41Å; Y73-A155 HydrophobicContact CE2-CB 3.86Å; Y73-M188 WeakPolarHBondContact OH-CE 3.31Å; Y73-N227 PolarHBondContact OH-OD1 3.48Å; Y73-K230 HydrophobicContact CD1-CD 3.78Å; Y73-K230 HydrophobicContact CD1-CG 3.84Å; Y73-K230 HydrophobicContact CD2-CG 4.19Å; Y73-K230 HydrophobicContact CE1-CB 3.97Å; Y73-K230 HydrophobicContact CE1-CD 3.97Å; Y73-K230 HydrophobicContact CE1-CG 3.63Å; Y73-K230 HydrophobicContact CE2-CG 4Å; Y73-K230 HydrophobicContact CG-CD 4.18Å; Y73-K230 HydrophobicContact CG-CG 4.1Å; Y73-D279 HydrophobicContact CD2-CB 3.73Å; Y73-D279 HydrophobicContact CE2-CB 3.78Å
74	P	98.6	Very high	98.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.			trans	-81	56	-165.3	34	-37.9	0	0	0	113.4	Y67 P76 L77 I78 V152 C277	Y67-P74 HydrophobicContact CD1-CB 4.1Å; Y67-P74 HydrophobicContact CD2-CB 4.41Å; Y67-P74 HydrophobicContact CE1-CB 3.93Å; Y67-P74 HydrophobicContact CE2-CB 4.24Å; Y67-P74 HydrophobicContact CG-CB 4.35Å; P74-P76 VanDerWaalsContact C-CD 3.46Å; P74-L77 HydrophobicContact CB-CB 4.31Å; P74-L77 HydrophobicContact CB-CD1 4.2Å; P74-L77 PolarHBondContact O-N 3.49Å; P74-I78 HydrophobicContact CG-CD1 4.17Å; P74-I78 HydrophobicContact CG-CG1 4.32Å; P74-I78 WeakPolarHBondContact O-CG1 3.35Å; P74-I78 PolarHBondContact O-N 3.41Å; P74-V152 HydrophobicContact CB-CG2 4.04Å; P74-V152 HydrophobicContact CG-CB 4.39Å; P74-V152 HydrophobicContact CG-CG1 4.29Å; P74-V152 HydrophobicContact CG-CG2 3.95Å; P74-C277 WeakPolarHBondContact CD-O 3.44Å
75	V	98.6	Very high	97.9	Very high	77 Å²	77	53.9 Å²	53.9	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-50.5	-45.4	-176.4	177.6	0	0	0	0	113.3	Y73 L77 I78 R79	Y73-V75 HydrophobicContact CD1-CG2 3.8Å; Y73-V75 PolarHBondContact O-N 3.33Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 3.27Å; V75-I78 PolarHBondContact O-N 3.41Å; V75-R79 PolarHBondContact O-N 3.03Å
76	P	98.6	Very high	97.8	Very high	83 Å²	83	50.7 Å²	50.7	54%	0.539	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-41.1	178.9	-23.4	35.1	0	0	0	112.9	P74 R80	P74-P76 VanDerWaalsContact C-CD 3.46Å; P76-R80 VanDerWaalsContact O-CB 3.28Å; P76-R80 WeakPolarHBondContact O-CB 3.23Å; P76-R80 PolarHBondContact O-N 3.12Å
77	L	98.7	Very high	97.6	Very high	11 Å²	11	46 Å²	46	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-71	-38	179.3	-64	177.5	0	0	0	111.7	F55 E59 I60 V63 Y67 P74 V75 R80 A81 V152	F55-L77 HydrophobicContact CE2-CD2 4.29Å; F55-L77 HydrophobicContact CZ-CB 4.32Å; F55-L77 HydrophobicContact CZ-CD2 4.21Å; F55-L77 WeakPolarHBondContact CZ-O 3.45Å; E59-L77 HydrophobicContact CB-CD2 4.17Å; I60-L77 HydrophobicContact CG1-CD1 4.36Å; I60-L77 HydrophobicContact CG1-CD2 4.4Å; I60-L77 HydrophobicContact CG2-CD1 4.47Å; V63-L77 HydrophobicContact CG2-CD1 3.93Å; V63-L77 HydrophobicContact CG2-CD2 4.5Å; Y67-L77 HydrophobicContact CD2-CD1 4.24Å; Y67-L77 HydrophobicContact CE2-CD1 3.91Å; Y67-L77 HydrophobicContact CE2-CG 4.42Å; P74-L77 HydrophobicContact CB-CB 4.31Å; P74-L77 HydrophobicContact CB-CD1 4.2Å; P74-L77 PolarHBondContact O-N 3.49Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 3.27Å; L77-R80 PolarHBondContact O-N 3.14Å; L77-A81 WeakPolarHBondContact O-CB 3.39Å; L77-A81 PolarHBondContact O-N 2.73Å; L77-V152 HydrophobicContact CB-CG1 4.09Å; L77-V152 HydrophobicContact CD1-CG1 4.2Å; L77-V152 HydrophobicContact CD1-CG2 3.85Å
78	I	98.4	Very high	97.5	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-51.6	176.2	-68.3	173.2	0	0	0	110.2	Y73 P74 V75 R80 A81 W82 M87 A155 M188	Y73-I78 HydrophobicContact CD1-CD1 4.02Å; Y73-I78 HydrophobicContact CE1-CD1 3.3Å; Y73-I78 HydrophobicContact CE2-CD1 4.19Å; Y73-I78 VanDerWaalsContact CZ-CD1 3.41Å; P74-I78 HydrophobicContact CG-CD1 4.17Å; P74-I78 HydrophobicContact CG-CG1 4.32Å; P74-I78 WeakPolarHBondContact O-CG1 3.35Å; P74-I78 PolarHBondContact O-N 3.41Å; V75-I78 PolarHBondContact O-N 3.41Å; I78-R80 PolarHBondContact O-N 3.48Å; I78-A81 PolarHBondContact O-N 3.02Å; I78-W82 PolarHBondContact O-N 3.04Å; I78-M87 HydrophobicContact CG2-CE 3.95Å; I78-M87 HydrophobicContact CG2-SD 3.71Å; I78-A155 HydrophobicContact CD1-CB 4.05Å; I78-M188 HydrophobicContact CD1-CE 4.36Å; I78-M188 HydrophobicContact CG2-CE 4.18Å; I78-M188 HydrophobicContact CG2-SD 3.54Å; I78-M188 VanDerWaalsContact CG2-SD 3.54Å
79	R	97.9	Very high	97.3	Very high	140 Å²	140	45.2 Å²	45.2	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-57	-42.3	176.4	178.5	175.9	-72	169.3	-3.1	110.9	V75 W82 E83 P186	V75-R79 PolarHBondContact O-N 3.03Å; R79-W82 WeakPolarHBondContact O-CB 3.48Å; R79-W82 PolarHBondContact O-N 3.24Å; R79-E83 WeakPolarHBondContact O-CG 3.46Å; R79-E83 PolarHBondContact O-N 2.99Å; R79-P186 HydrophobicContact CG-CG 4.34Å
80	R	97.1	Very high	97.1	Very high	69 Å²	69	38.6 Å²	38.6	26%	0.26	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-42.8	178.9	-173.7	62.2	176.7	157.6	4.3	113	F55 E59 P76 L77 I78 W82 E83 L84	F55-R80 HydrophobicContact CD2-CG 4Å; F55-R80 HydrophobicContact CE2-CB 3.86Å; F55-R80 HydrophobicContact CE2-CG 3.43Å; F55-R80 VanDerWaalsContact CE2-CG 3.43Å; F55-R80 HydrophobicContact CZ-CB 4.19Å; F55-R80 HydrophobicContact CZ-CG 4.21Å; E59-R80 IonicContact OE1-NE 3.21Å; E59-R80 PolarHBondContact OE1-NE 2.9Å; E59-R80 IonicContact OE1-NH2 3.27Å; E59-R80 WeakPolarHBondContact OE2-CG 3.28Å; E59-R80 IonicContact OE2-NE 3.77Å; P76-R80 VanDerWaalsContact O-CB 3.28Å; P76-R80 WeakPolarHBondContact O-CB 3.23Å; P76-R80 PolarHBondContact O-N 3.12Å; L77-R80 PolarHBondContact O-N 3.14Å; I78-R80 PolarHBondContact O-N 3.48Å; R80-W82 VanDerWaalsContact C-N 3.29Å; R80-W82 PolarHBondContact O-N 2.8Å; R80-E83 WeakPolarHBondContact CD-OE2 3.36Å; R80-E83 IonicContact CZ-OE2 3.97Å; R80-E83 IonicContact NH1-OE2 2.71Å; R80-E83 PolarHBondContact NH1-OE2 3.01Å; R80-E83 PolarHBondContact O-N 2.93Å; R80-L84 HydrophobicContact CG-CD1 4.14Å; R80-L84 HydrophobicContact CG-CG 4.5Å; R80-L84 WeakPolarHBondContact O-CB 3.41Å; R80-L84 VanDerWaalsContact O-CG 3.26Å; R80-L84 WeakPolarHBondContact O-CG 3.34Å; R80-L84 PolarHBondContact O-N 3.48Å
81	A	97.8	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-41.1	175.1	0	0	0	0	0	111.2	F55 L77 I78 L84 G85 L86 M87 I156	F55-A81 HydrophobicContact CE1-CB 3.81Å; F55-A81 HydrophobicContact CZ-CB 4.14Å; L77-A81 WeakPolarHBondContact O-CB 3.39Å; L77-A81 PolarHBondContact O-N 2.73Å; I78-A81 PolarHBondContact O-N 3.02Å; A81-L84 PolarHBondContact O-N 3.45Å; A81-G85 PolarHBondContact O-N 3.29Å; A81-L86 HydrophobicContact CB-CB 4.36Å; A81-L86 WeakPolarHBondContact O-CB 3.45Å; A81-L86 PolarHBondContact O-N 3.01Å; A81-M87 HydrophobicContact CB-CG 3.74Å; A81-M87 HydrophobicContact CB-SD 4.07Å; A81-I156 HydrophobicContact CB-CD1 3.65Å; A81-I156 HydrophobicContact CB-CG1 4.48Å
82	W	97.3	Very high	96.7	Very high	51 Å²	51	36.1 Å²	36.1	19%	0.193	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-48.9	174.1	178	91.1	0	0	0	112.1	I78 R79 R80 L84 G85 M87 M182 T183 E184 E185 P186	I78-W82 PolarHBondContact O-N 3.04Å; R79-W82 WeakPolarHBondContact O-CB 3.48Å; R79-W82 PolarHBondContact O-N 3.24Å; R80-W82 VanDerWaalsContact C-N 3.29Å; R80-W82 PolarHBondContact O-N 2.8Å; W82-L84 PolarHBondContact O-N 3.1Å; W82-G85 PolarHBondContact O-N 3.38Å; W82-M87 HydrophobicContact CB-CB 4.35Å; W82-M87 HydrophobicContact CB-CG 4.3Å; W82-M87 HydrophobicContact CB-SD 3.88Å; W82-M182 PolarHBondContact NE1-O 3.47Å; W82-T183 VanDerWaalsContact CZ2-O 3.3Å; W82-T183 WeakPolarHBondContact CZ2-O 3.44Å; W82-E184 WeakPolarHBondContact CZ2-O 3.44Å; W82-E185 PolarHBondContact NE1-O 2.94Å; W82-P186 HydrophobicContact CB-CB 3.9Å; W82-P186 HydrophobicContact CD2-CB 3.84Å; W82-P186 HydrophobicContact CE3-CB 4.2Å; W82-P186 HydrophobicContact CG-CB 3.7Å
83	E	94.8	Very high	96.2	Very high	74 Å²	74	36.9 Å²	36.9	35%	0.346	18%	0.18	S	C	.	.	H	α-helix	trans	-55.6	-40.8	176.5	-74.9	169.7	-170.6	0	0	111.3	R21 R79 R80 G85	R21-E83 PolarHBondContact NH2-O 3.43Å; R79-E83 WeakPolarHBondContact O-CG 3.46Å; R79-E83 PolarHBondContact O-N 2.99Å; R80-E83 WeakPolarHBondContact CD-OE2 3.36Å; R80-E83 IonicContact CZ-OE2 3.97Å; R80-E83 IonicContact NH1-OE2 2.71Å; R80-E83 PolarHBondContact NH1-OE2 3.01Å; R80-E83 PolarHBondContact O-N 2.93Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.02Å
84	L	94.4	Very high	95.4	Very high	29 Å²	29	41.1 Å²	41.1	15%	0.152	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.8	-179.9	-71.2	177.7	0	0	0	114.5	F55 R80 A81 W82 L86	F55-L84 HydrophobicContact CB-CD1 3.85Å; F55-L84 HydrophobicContact CD1-CD1 4.48Å; F55-L84 HydrophobicContact CD2-CD1 3.62Å; F55-L84 HydrophobicContact CE2-CD1 4.34Å; F55-L84 HydrophobicContact CG-CD1 3.72Å; R80-L84 HydrophobicContact CG-CD1 4.14Å; R80-L84 HydrophobicContact CG-CG 4.5Å; R80-L84 WeakPolarHBondContact O-CB 3.41Å; R80-L84 VanDerWaalsContact O-CG 3.26Å; R80-L84 WeakPolarHBondContact O-CG 3.34Å; R80-L84 PolarHBondContact O-N 3.48Å; A81-L84 PolarHBondContact O-N 3.45Å; W82-L84 PolarHBondContact O-N 3.1Å; L84-L86 HydrophobicContact CB-CD1 4Å; L84-L86 HydrophobicContact CB-CG 3.89Å; L84-L86 HydrophobicContact CD1-CD1 4.15Å
85	G	94.5	Very high	94.1	Very high	7 Å²	7	41.2 Å²	41.2	7%	0.072	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	29.2	-175.5	0	0	0	0	0	113.3	A81 W82 E83 L131	A81-G85 PolarHBondContact O-N 3.29Å; W82-G85 PolarHBondContact O-N 3.38Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.02Å; G85-L131 VanDerWaalsContact O-CD1 3.24Å; G85-L131 WeakPolarHBondContact O-CD1 3.41Å
86	L	96.5	Very high	92.5	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.19	C	C	.	.			trans	-103.8	8.5	178.8	-54.3	178.3	0	0	0	112.4	T51 A52 F55 A81 L84 I141 L145	T51-L86 HydrophobicContact CG2-CD1 4.49Å; T51-L86 HydrophobicContact CG2-CD2 4.27Å; A52-L86 HydrophobicContact CB-CD1 4.24Å; A52-L86 HydrophobicContact CB-CD2 4.05Å; F55-L86 HydrophobicContact CB-CD1 4.08Å; F55-L86 HydrophobicContact CD1-CD1 3.77Å; F55-L86 HydrophobicContact CG-CD1 4.15Å; A81-L86 HydrophobicContact CB-CB 4.36Å; A81-L86 WeakPolarHBondContact O-CB 3.45Å; A81-L86 PolarHBondContact O-N 3.01Å; L84-L86 HydrophobicContact CB-CD1 4Å; L84-L86 HydrophobicContact CB-CG 3.89Å; L84-L86 HydrophobicContact CD1-CD1 4.15Å; L86-I141 HydrophobicContact CB-CG2 4.11Å; L86-I141 HydrophobicContact CD2-CD1 4.43Å; L86-I141 HydrophobicContact CD2-CG1 4.45Å; L86-I141 HydrophobicContact CD2-CG2 4.09Å; L86-L145 HydrophobicContact CD1-CD2 4.3Å
87	M	95.1	Very high	90.2	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.044	18%	0.184	C	C	.	.	S	Bend	trans	-121.8	154.7	175.9	-65.8	-166.2	57.3	0	0	110.8	I78 A81 W82 P89 I156 M188	I78-M87 HydrophobicContact CG2-CE 3.95Å; I78-M87 HydrophobicContact CG2-SD 3.71Å; A81-M87 HydrophobicContact CB-CG 3.74Å; A81-M87 HydrophobicContact CB-SD 4.07Å; W82-M87 HydrophobicContact CB-CB 4.35Å; W82-M87 HydrophobicContact CB-CG 4.3Å; W82-M87 HydrophobicContact CB-SD 3.88Å; M87-P89 VanDerWaalsContact C-CD 3.46Å; M87-P89 VanDerWaalsContact C-N 3.34Å; M87-I156 HydrophobicContact CB-CG2 4.46Å; M87-I156 HydrophobicContact CE-CB 4.47Å; M87-I156 HydrophobicContact CE-CG1 4.22Å; M87-I156 HydrophobicContact CE-CG2 4.36Å; M87-I156 HydrophobicContact CG-CB 4.48Å; M87-I156 HydrophobicContact CG-CD1 4.49Å; M87-I156 HydrophobicContact CG-CG1 4.13Å; M87-I156 HydrophobicContact CG-CG2 3.73Å; M87-I156 HydrophobicContact SD-CG1 3.97Å; M87-I156 HydrophobicContact SD-CG2 4.48Å; M87-M188 HydrophobicContact CE-CE 3.87Å; M87-M188 HydrophobicContact CE-SD 3.9Å
88	N	96.2	Very high	87.6	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.043	21%	0.206	C	C	.	.			trans	52.4	42.4	176.3	-40.9	-25.6	0	0	0	113.7	H90 I91 N159 E163 M182	N88-H90 PolarHBondContact O-N 3.43Å; N88-H90 VanDerWaalsContact O-N 3.14Å; N88-I91 HydrophobicContact CB-CD1 3.55Å; N88-I91 HydrophobicContact CB-CG1 3.93Å; N88-I91 PolarHBondContact O-N 2.96Å; N88-N159 WeakPolarHBondContact OD1-CB 3.25Å; N88-N159 PolarHBondContact OD1-ND2 3.2Å; N88-E163 PolarHBondContact OD1-OE1 3.42Å; N88-E163 VanDerWaalsContact OD1-OE1 3.09Å; N88-M182 PolarHBondContact ND2-O 2.91Å; N88-M182 VanDerWaalsContact ND2-O 3.09Å
89	P	94.4	Very high	84.9	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27	-167.8	27.9	-36.4	0	0	0	113.2	M87 G132 L133 A138	M87-P89 VanDerWaalsContact C-CD 3.46Å; M87-P89 VanDerWaalsContact C-N 3.34Å; P89-G132 PolarHBondContact O-N 2.98Å; P89-L133 HydrophobicContact CB-CB 4.19Å; P89-L133 HydrophobicContact CB-CD1 3.96Å; P89-L133 HydrophobicContact CB-CG 4.47Å; P89-L133 WeakPolarHBondContact O-CB 3.38Å; P89-L133 PolarHBondContact O-N 3.05Å; P89-A138 HydrophobicContact CG-CB 3.8Å
90	H	96.3	Very high	82	Confident	13 Å²	13	41.6 Å²	41.6	6%	0.06	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.7	-176.8	-58.7	104.3	0	0	0	114	N88 P92 A138 M164 I167	N88-H90 PolarHBondContact O-N 3.43Å; N88-H90 VanDerWaalsContact O-N 3.14Å; H90-P92 WeakPolarHBondContact O-CD 3.46Å; H90-P92 VanDerWaalsContact O-N 3.15Å; H90-A138 WeakPolarHBondContact CE1-CB 3.44Å; H90-A138 WeakPolarHBondContact NE2-CB 3.48Å; H90-M164 HydrophobicContact CB-CE 4.25Å; H90-I167 HydrophobicContact CB-CD1 3.63Å
91	I	95.7	Very high	79.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-61.5	121	178.9	-64.7	-176.1	0	0	0	107.8	N88 C95 G130 L131 G132 L179 M182 T183	N88-I91 HydrophobicContact CB-CD1 3.55Å; N88-I91 HydrophobicContact CB-CG1 3.93Å; N88-I91 PolarHBondContact O-N 2.96Å; I91-C95 HydrophobicContact CG2-CB 3.72Å; I91-G130 CarbonylContact O-C 3.59Å; I91-G130 VanDerWaalsContact O-CA 3.26Å; I91-G130 WeakPolarHBondContact O-CA 3.47Å; I91-L131 PolarHBondContact O-N 2.89Å; I91-G132 WeakPolarHBondContact O-CA 3.35Å; I91-G132 PolarHBondContact O-N 3.25Å; I91-L179 HydrophobicContact CD1-CB 4.18Å; I91-L179 HydrophobicContact CG1-CB 4.33Å; I91-L179 HydrophobicContact CG1-CD2 4.49Å; I91-L179 HydrophobicContact CG2-CB 3.97Å; I91-M182 HydrophobicContact CD1-CB 3.7Å; I91-M182 HydrophobicContact CD1-CG 4.38Å; I91-T183 HydrophobicContact CB-CG2 4.44Å; I91-T183 HydrophobicContact CD1-CG2 4.04Å; I91-T183 HydrophobicContact CG2-CG2 3.85Å
92	P	92.4	Very high	76.8	Confident	31 Å²	31	49.5 Å²	49.5	20%	0.201	27%	0.266	C	S	.	.			trans	-59.4	148	-179.6	-26.8	36.1	0	0	0	112.9	H90 N94 C95	H90-P92 WeakPolarHBondContact O-CD 3.46Å; H90-P92 VanDerWaalsContact O-N 3.15Å; P92-N94 WeakPolarHBondContact CB-OD1 3.47Å; P92-N94 PolarHBondContact O-N 3.33Å; P92-N94 VanDerWaalsContact O-N 3.07Å; P92-C95 WeakPolarHBondContact O-CB 3.42Å; P92-C95 PolarHBondContact O-N 3.41Å; P92-C95 VanDerWaalsContact O-N 3.09Å
93	E	88.6	Confident	74.4	Confident	137 Å²	137	51.4 Å²	51.4	64%	0.64	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.1	178.6	-62.9	-176.4	-178.3	0	0	113.6	C95 G130	E93-C95 VanDerWaalsContact C-N 3.35Å; E93-G130 WeakPolarHBondContact CA-O 3.49Å
94	N	81.8	Confident	71.9	Confident	108 Å²	108	52.5 Å²	52.5	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	3.8	-178.2	73	-27.1	0	0	0	114.1	P92 D96	P92-N94 WeakPolarHBondContact CB-OD1 3.47Å; P92-N94 PolarHBondContact O-N 3.33Å; P92-N94 VanDerWaalsContact O-N 3.07Å; N94-D96 PolarHBondContact O-N 3.29Å
95	C	71.7	Confident	69.5	Low	2 Å²	2	53.4 Å²	53.4	1%	0.014	30%	0.296	C	S	.	.			trans	-84.5	16.1	-177.1	-72.1	0	0	0	0	114.3	I91 P92 E93 Y97 L179 G180	I91-C95 HydrophobicContact CG2-CB 3.72Å; P92-C95 WeakPolarHBondContact O-CB 3.42Å; P92-C95 PolarHBondContact O-N 3.41Å; P92-C95 VanDerWaalsContact O-N 3.09Å; E93-C95 VanDerWaalsContact C-N 3.35Å; C95-Y97 PolarHBondContact O-N 3.01Å; C95-L179 HydrophobicContact CB-CB 4.26Å; C95-G180 WeakPolarHBondContact O-CA 3.45Å
96	D	63.5	Low	67	Low	32 Å²	32	56.1 Å²	56.1	17%	0.171	31%	0.314	C	S	.	.			trans	-53.1	120.6	177	-68.2	4.1	0	0	0	111.4	N94 S98 R129 K176	N94-D96 PolarHBondContact O-N 3.29Å; D96-S98 PolarHBondContact O-N 2.88Å; D96-R129 WeakPolarHBondContact OD1-CA 3.41Å; D96-R129 WeakPolarHBondContact OD1-CB 3.46Å; D96-R129 VanDerWaalsContact OD1-CG 3.27Å; D96-R129 WeakPolarHBondContact OD1-CG 3.44Å; D96-R129 WeakPolarHBondContact OD2-CD 3.36Å; D96-R129 WeakPolarHBondContact OD2-CG 3.37Å; D96-R129 IonicContact OD2-CZ 3.82Å; D96-R129 IonicContact OD2-NE 2.83Å; D96-R129 PolarHBondContact OD2-NE 3.2Å; D96-R129 IonicContact OD2-NH2 3.2Å; D96-K176 VanDerWaalsContact O-CE 3.25Å; D96-K176 WeakPolarHBondContact O-CE 3.45Å
97	Y	51.8	Low	64.6	Low	107 Å²	107	59.1 Å²	59.1	42%	0.42	33%	0.332	S	S	.	.			trans	-66.7	129.6	161.7	-153.2	-100.7	0	0	0	106.7	C95 V99 K176 E184	C95-Y97 PolarHBondContact O-N 3.01Å; Y97-V99 PolarHBondContact O-N 2.91Å; Y97-K176 HydrophobicContact CD2-CG 4.42Å; Y97-K176 WeakPolarHBondContact CD2-O 3.33Å; Y97-E184 VanDerWaalsContact CB-OE1 3.31Å; Y97-E184 WeakPolarHBondContact CB-OE1 3.38Å
98	S	42.9	Very low	62.3	Low	74 Å²	74	64.8 Å²	64.8	52%	0.517	36%	0.362	S	S	.	.			trans	-56.3	102.2	-169.8	24.4	0	0	0	0	111.4	D96 C100 K176	D96-S98 PolarHBondContact O-N 2.88Å; S98-C100 PolarHBondContact O-N 3.43Å; S98-K176 WeakPolarHBondContact OG-CE 3.45Å; S98-K176 PolarHBondContact OG-NZ 3.21Å; S98-K176 VanDerWaalsContact OG-NZ 3.14Å
99	V	41.5	Very low	59.8	Low	49 Å²	49	73.2 Å²	73.2	30%	0.297	40%	0.395	S	S	.	.			trans	-61.5	131.5	153.1	-146.1	0	0	0	0	105.5	Y97 L103 L128	Y97-V99 PolarHBondContact O-N 2.91Å; V99-L103 HydrophobicContact CB-CB 4.28Å; V99-L103 HydrophobicContact CG1-CB 3.4Å; V99-L103 HydrophobicContact CG1-CD1 3.92Å; V99-L103 HydrophobicContact CG1-CD2 4.1Å; V99-L103 HydrophobicContact CG1-CG 4Å; V99-L128 HydrophobicContact CG2-CD1 4.39Å
100	C	37.2	Very low	57.5	Low	63 Å²	63	77.5 Å²	77.5	43%	0.426	42%	0.416	S	S	.	.			trans	-42.3	139.7	177.8	-173.2	0	0	0	0	110.3	S98 L102 L103 E104	S98-C100 PolarHBondContact O-N 3.43Å; C100-L102 PolarHBondContact O-N 2.67Å; C100-L103 HydrophobicContact CB-CB 4.48Å; C100-L103 HydrophobicContact CB-CD1 4.49Å; C100-L103 WeakPolarHBondContact O-CA 3.38Å; C100-L103 WeakPolarHBondContact O-CB 3.35Å; C100-L103 PolarHBondContact O-N 3.19Å; C100-E104 PolarHBondContact O-N 2.86Å
101	P	46.5	Very low	55	Low	101 Å²	101	81 Å²	81	66%	0.656	44%	0.436	S	S	*	.	H	α-helix	trans	-53.5	-26.3	177.2	-25.9	32.6	0	0	0	113.4	L103 A105	P101-L103 VanDerWaalsContact C-N 3.35Å; P101-A105 PolarHBondContact O-N 3.49Å; P101-A105 VanDerWaalsContact O-N 3.15Å
102	L	40.8	Very low	52.5	Low	134 Å²	134	83.6 Å²	83.6	70%	0.702	46%	0.457	S	S	*	.	H	α-helix	trans	-66.2	-32.1	172.3	-81.2	150.3	0	0	0	113.4	C100 C106	C100-L102 PolarHBondContact O-N 2.67Å; L102-C106 PolarHBondContact O-N 2.81Å; L102-C106 PolarHBondContact O-SG 2.87Å
103	L	45.3	Very low	50	Low	92 Å²	92	88.2 Å²	88.2	48%	0.482	47%	0.474	S	S	.	.	H	α-helix	trans	-82.4	-33.3	177	-105.4	142.6	0	0	0	112.6	V99 C100 P101 A105 C106 T107	V99-L103 HydrophobicContact CB-CB 4.28Å; V99-L103 HydrophobicContact CG1-CB 3.4Å; V99-L103 HydrophobicContact CG1-CD1 3.92Å; V99-L103 HydrophobicContact CG1-CD2 4.1Å; V99-L103 HydrophobicContact CG1-CG 4Å; C100-L103 HydrophobicContact CB-CB 4.48Å; C100-L103 HydrophobicContact CB-CD1 4.49Å; C100-L103 WeakPolarHBondContact O-CA 3.38Å; C100-L103 WeakPolarHBondContact O-CB 3.35Å; C100-L103 PolarHBondContact O-N 3.19Å; P101-L103 VanDerWaalsContact C-N 3.35Å; L103-A105 VanDerWaalsContact C-N 3.27Å; L103-A105 PolarHBondContact O-N 3.17Å; L103-C106 CarbonylContact O-C 3.54Å; L103-C106 WeakPolarHBondContact O-CA 3.33Å; L103-C106 PolarHBondContact O-N 2.89Å; L103-C106 VanDerWaalsContact O-N 3.09Å; L103-T107 PolarHBondContact O-N 2.93Å; L103-T107 PolarHBondContact O-OG1 3.27Å; L103-T107 VanDerWaalsContact O-OG1 3.06Å
104	E	43	Very low	47.7	Very low	97 Å²	97	86.9 Å²	86.9	45%	0.453	47%	0.466	S	S	.	.	H	α-helix	trans	-59.7	-40.8	167.3	-87.4	-172.8	144.9	0	0	111.1	C100 T107 L108	C100-E104 PolarHBondContact O-N 2.86Å; E104-T107 WeakPolarHBondContact CA-OG1 3.26Å; E104-T107 PolarHBondContact O-N 3.07Å; E104-T107 PolarHBondContact O-OG1 3.35Å; E104-L108 PolarHBondContact O-N 3.45Å; E104-L108 VanDerWaalsContact O-N 3.14Å
105	A	43.5	Very low	45.9	Very low	47 Å²	47	88.8 Å²	88.8	39%	0.388	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-38.4	171.2	0	0	0	0	0	112	P101 L103 Y109	P101-A105 PolarHBondContact O-N 3.49Å; P101-A105 VanDerWaalsContact O-N 3.15Å; L103-A105 VanDerWaalsContact C-N 3.27Å; L103-A105 PolarHBondContact O-N 3.17Å; A105-Y109 WeakPolarHBondContact O-CB 3.22Å; A105-Y109 WeakPolarHBondContact O-CD2 3.31Å; A105-Y109 PolarHBondContact O-N 3.24Å
106	C	42.2	Very low	44.6	Very low	64 Å²	64	95.3 Å²	95.3	43%	0.432	51%	0.51	S	S	.	.	H	α-helix	trans	-69.8	-34.5	175.1	-72.7	0	0	0	0	113.8	L102 L103 Y109 L110	L102-C106 PolarHBondContact O-N 2.81Å; L102-C106 PolarHBondContact O-SG 2.87Å; L103-C106 CarbonylContact O-C 3.54Å; L103-C106 WeakPolarHBondContact O-CA 3.33Å; L103-C106 PolarHBondContact O-N 2.89Å; L103-C106 VanDerWaalsContact O-N 3.09Å; C106-Y109 CarbonylContact O-C 3.55Å; C106-Y109 PolarHBondContact O-N 3.13Å; C106-L110 VanDerWaalsContact O-CB 3.3Å; C106-L110 WeakPolarHBondContact O-CB 3.28Å; C106-L110 VanDerWaalsContact O-CG 3.3Å; C106-L110 WeakPolarHBondContact O-CG 3.5Å; C106-L110 PolarHBondContact O-N 3.18Å
107	T	46.9	Very low	43.5	Very low	66 Å²	66	99.2 Å²	99.2	41%	0.405	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-40.5	175.2	40	0	0	0	0	111.4	L103 E104 Y109 L110 D111	L103-T107 PolarHBondContact O-N 2.93Å; L103-T107 PolarHBondContact O-OG1 3.27Å; L103-T107 VanDerWaalsContact O-OG1 3.06Å; E104-T107 WeakPolarHBondContact CA-OG1 3.26Å; E104-T107 PolarHBondContact O-N 3.07Å; E104-T107 PolarHBondContact O-OG1 3.35Å; T107-Y109 VanDerWaalsContact C-N 3.3Å; T107-Y109 PolarHBondContact O-N 2.9Å; T107-L110 PolarHBondContact O-N 3.49Å; T107-D111 WeakPolarHBondContact O-CB 3.48Å; T107-D111 PolarHBondContact O-N 3.1Å
108	L	46.1	Very low	43	Very low	127 Å²	127	102.1 Å²	102.1	67%	0.665	55%	0.553	S	S	*	*	H	α-helix	trans	-62.7	-36.4	171.8	-78	162.5	0	0	0	112.2	E104 A112	E104-L108 PolarHBondContact O-N 3.45Å; E104-L108 VanDerWaalsContact O-N 3.14Å; L108-A112 WeakPolarHBondContact O-CB 3.28Å; L108-A112 PolarHBondContact O-N 3.35Å
109	Y	44.4	Very low	42.7	Very low	186 Å²	186	102.3 Å²	102.3	73%	0.729	57%	0.566	S	S	*	*	H	α-helix	trans	-73.7	-34.6	174.2	-99.1	-91.4	0	0	0	113.3	A105 C106 T107 A112 F113	A105-Y109 WeakPolarHBondContact O-CB 3.22Å; A105-Y109 WeakPolarHBondContact O-CD2 3.31Å; A105-Y109 PolarHBondContact O-N 3.24Å; C106-Y109 CarbonylContact O-C 3.55Å; C106-Y109 PolarHBondContact O-N 3.13Å; T107-Y109 VanDerWaalsContact C-N 3.3Å; T107-Y109 PolarHBondContact O-N 2.9Å; Y109-A112 PolarHBondContact O-N 3.47Å; Y109-F113 VanDerWaalsContact O-CB 3.28Å; Y109-F113 WeakPolarHBondContact O-CB 3.26Å; Y109-F113 PolarHBondContact O-N 3.26Å
110	L	46.3	Very low	42.3	Very low	97 Å²	97	104.8 Å²	104.8	51%	0.508	59%	0.586	S	S	.	*	H	α-helix	trans	-72.6	-38	177.7	-81.6	161.6	0	0	0	111.8	C106 T107 A112 F113 F114	C106-L110 VanDerWaalsContact O-CB 3.3Å; C106-L110 WeakPolarHBondContact O-CB 3.28Å; C106-L110 VanDerWaalsContact O-CG 3.3Å; C106-L110 WeakPolarHBondContact O-CG 3.5Å; C106-L110 PolarHBondContact O-N 3.18Å; T107-L110 PolarHBondContact O-N 3.49Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-F113 PolarHBondContact O-N 3.42Å; L110-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 PolarHBondContact O-N 2.83Å
111	D	42.8	Very low	42.2	Very low	87 Å²	87	107.9 Å²	107.9	47%	0.465	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-39.7	172.7	-73.1	-23.2	0	0	0	111	T107 L115	T107-D111 WeakPolarHBondContact O-CB 3.48Å; T107-D111 PolarHBondContact O-N 3.1Å; D111-L115 PolarHBondContact O-N 3.03Å
112	A	43.8	Very low	41.6	Very low	54 Å²	54	108.7 Å²	108.7	45%	0.446	60%	0.596	S	S	.	*	H	α-helix	trans	-67.6	-33.4	172.8	0	0	0	0	0	113	L108 Y109 L110	L108-A112 WeakPolarHBondContact O-CB 3.28Å; L108-A112 PolarHBondContact O-N 3.35Å; Y109-A112 PolarHBondContact O-N 3.47Å; L110-A112 VanDerWaalsContact C-N 3.34Å
113	F	39.4	Very low	41.2	Very low	129 Å²	129	106.7 Å²	106.7	57%	0.566	59%	0.587	S	S	*	*	H	α-helix	trans	-77.6	-32.2	178.2	-157.4	-97.7	0	0	0	112.7	Y109 L110 L116 L117	Y109-F113 VanDerWaalsContact O-CB 3.28Å; Y109-F113 WeakPolarHBondContact O-CB 3.26Å; Y109-F113 PolarHBondContact O-N 3.26Å; L110-F113 PolarHBondContact O-N 3.42Å; F113-L116 PolarHBondContact O-N 2.95Å; F113-L117 HydrophobicContact CD1-CD1 4.04Å; F113-L117 HydrophobicContact CE1-CD1 3.78Å
114	F	41	Very low	40.7	Very low	108 Å²	108	108.7 Å²	108.7	47%	0.474	60%	0.597	S	S	.	*	H	α-helix	trans	-71.3	-34.6	175.1	-109.9	-87.9	0	0	0	112.7	L110 L116 L117 L122	L110-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 PolarHBondContact O-N 2.83Å; F114-L116 PolarHBondContact O-N 3.23Å; F114-L117 PolarHBondContact O-N 2.84Å; F114-L122 HydrophobicContact CE1-CB 4.27Å; F114-L122 HydrophobicContact CZ-CB 4.15Å
115	L	43.8	Very low	40.6	Very low	148 Å²	148	109.9 Å²	109.9	78%	0.775	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-20.9	172.8	-83.4	160.8	0	0	0	113.3	D111	D111-L115 PolarHBondContact O-N 3.03Å
116	L	43.7	Very low	40.4	Very low	139 Å²	139	113.3 Å²	113.3	73%	0.728	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-16.3	177.5	-82.8	158.6	0	0	0	113.8	F113 F114	F113-L116 PolarHBondContact O-N 2.95Å; F114-L116 PolarHBondContact O-N 3.23Å
117	L	40.4	Very low	40.5	Very low	115 Å²	115	112.9 Å²	112.9	60%	0.602	61%	0.607	S	S	*	*	S	Bend	trans	-111.5	73.1	-176.7	-67.7	172.7	0	0	0	111.1	F113 F114 G119	F113-L117 HydrophobicContact CD1-CD1 4.04Å; F113-L117 HydrophobicContact CE1-CD1 3.78Å; F114-L117 PolarHBondContact O-N 2.84Å; L117-G119 PolarHBondContact O-N 2.73Å
118	N	42.1	Very low	40.7	Very low	167 Å²	167	112.1 Å²	112.1	89%	0.893	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	119.4	168.1	-87.6	-45.8	0	0	0	111.4
119	G	36	Very low	41.8	Very low	78 Å²	78	113.2 Å²	113.2	80%	0.804	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	131.1	10.5	151.4	0	0	0	0	0	119.7	L117	L117-G119 PolarHBondContact O-N 2.73Å
120	S	33.2	Very low	43.5	Very low	101 Å²	101	104.7 Å²	104.7	71%	0.706	56%	0.564	S	S	*	*			trans	-144.4	117.4	166.3	38.1	0	0	0	0	112.9	L122	S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 2.92Å
121	N	35	Very low	45.5	Very low	129 Å²	129	102.3 Å²	102.3	69%	0.69	55%	0.552	S	S	*	*			trans	-64.2	84.1	177.9	-82.6	-31.2	0	0	0	111.2
122	L	33.3	Very low	47.9	Very low	117 Å²	117	100.1 Å²	100.1	61%	0.613	55%	0.55	S	S	*	.			trans	-110.8	72.2	165.8	-149.9	84.1	0	0	0	108.5	F114 S120 L124	F114-L122 HydrophobicContact CE1-CB 4.27Å; F114-L122 HydrophobicContact CZ-CB 4.15Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 2.92Å; L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 2.77Å
123	N	32.3	Very low	50.3	Low	93 Å²	93	98.5 Å²	98.5	50%	0.497	53%	0.533	S	S	.	.			trans	-73.7	82.3	172.2	-88.6	-32.1	0	0	0	109.5	H125	N123-H125 VanDerWaalsContact C-N 3.29Å; N123-H125 PolarHBondContact O-N 3.12Å
124	L	35.4	Very low	53	Low	134 Å²	134	93.3 Å²	93.3	70%	0.702	52%	0.516	S	S	*	.			trans	-92	61.8	166.7	-154.6	88.9	0	0	0	109.2	L122 L126	L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 2.77Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 HydrophobicContact CD2-CD1 4.38Å; L124-L126 PolarHBondContact O-N 2.71Å; L124-L126 VanDerWaalsContact O-N 3.08Å
125	H	40.2	Very low	55.8	Low	121 Å²	121	88.2 Å²	88.2	56%	0.56	49%	0.494	S	S	*	.			trans	-77.1	94.2	164.7	-79.6	-40	0	0	0	108.1	N123 N127	N123-H125 VanDerWaalsContact C-N 3.29Å; N123-H125 PolarHBondContact O-N 3.12Å; H125-N127 PolarHBondContact O-N 3.47Å; H125-N127 VanDerWaalsContact O-N 3.12Å
126	L	40.2	Very low	58.4	Low	119 Å²	119	82.8 Å²	82.8	62%	0.623	46%	0.464	S	S	*	.			trans	-53.3	107.5	158.5	-86.6	142.9	0	0	0	107.5	L124 L128	L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 HydrophobicContact CD2-CD1 4.38Å; L124-L126 PolarHBondContact O-N 2.71Å; L124-L126 VanDerWaalsContact O-N 3.08Å; L126-L128 HydrophobicContact CB-CD1 3.86Å; L126-L128 HydrophobicContact CB-CG 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.47Å; L126-L128 PolarHBondContact O-N 2.67Å
127	N	45.1	Very low	61	Low	55 Å²	55	77.1 Å²	77.1	29%	0.294	44%	0.435	S	S	.	.			trans	-69.9	64.9	173.1	-86.3	-18.9	0	0	0	109.7	H125 R129	H125-N127 PolarHBondContact O-N 3.47Å; H125-N127 VanDerWaalsContact O-N 3.12Å; N127-R129 PolarHBondContact O-N 2.87Å
128	L	51.4	Low	63.7	Low	51 Å²	51	72 Å²	72	27%	0.267	41%	0.409	S	S	.	.			trans	-76.3	-2.9	179.3	-70.2	161.8	0	0	0	112.5	V99 L126 T183 E184	V99-L128 HydrophobicContact CG2-CD1 4.39Å; L126-L128 HydrophobicContact CB-CD1 3.86Å; L126-L128 HydrophobicContact CB-CG 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.47Å; L126-L128 PolarHBondContact O-N 2.67Å; L128-T183 PolarHBondContact O-OG1 2.85Å; L128-E184 HydrophobicContact CD2-CG 4.2Å
129	R	67.8	Low	66.4	Low	149 Å²	149	64 Å²	64	56%	0.562	37%	0.366	S	S	*	.	S	Bend	trans	-113.1	147.3	-177.1	-50.5	-156.3	159.7	156.7	0.5	112.7	D96 N127	D96-R129 WeakPolarHBondContact OD1-CA 3.41Å; D96-R129 WeakPolarHBondContact OD1-CB 3.46Å; D96-R129 VanDerWaalsContact OD1-CG 3.27Å; D96-R129 WeakPolarHBondContact OD1-CG 3.44Å; D96-R129 WeakPolarHBondContact OD2-CD 3.36Å; D96-R129 WeakPolarHBondContact OD2-CG 3.37Å; D96-R129 IonicContact OD2-CZ 3.82Å; D96-R129 IonicContact OD2-NE 2.83Å; D96-R129 PolarHBondContact OD2-NE 3.2Å; D96-R129 IonicContact OD2-NH2 3.2Å; N127-R129 PolarHBondContact O-N 2.87Å
130	G	80.1	Confident	69.4	Low	7 Å²	7	60.5 Å²	60.5	7%	0.072	33%	0.329	C	S	.	.			trans	-62.6	151.1	168	0	0	0	0	0	111.3	I91 E93	I91-G130 CarbonylContact O-C 3.59Å; I91-G130 VanDerWaalsContact O-CA 3.26Å; I91-G130 WeakPolarHBondContact O-CA 3.47Å; E93-G130 WeakPolarHBondContact CA-O 3.49Å
131	L	88.8	Confident	72.5	Confident	47 Å²	47	55.9 Å²	55.9	25%	0.246	30%	0.297	C	S	.	.			trans	-84.4	-17.4	-179.6	-62.2	175.5	0	0	0	113.2	G85 I91 L133	G85-L131 VanDerWaalsContact O-CD1 3.24Å; G85-L131 WeakPolarHBondContact O-CD1 3.41Å; I91-L131 PolarHBondContact O-N 2.89Å; L131-L133 HydrophobicContact CB-CD1 4.12Å; L131-L133 HydrophobicContact CB-CD2 4.44Å; L131-L133 HydrophobicContact CB-CG 3.75Å; L131-L133 HydrophobicContact CD1-CD1 4.12Å; L131-L133 PolarHBondContact O-N 3.37Å; L131-L133 VanDerWaalsContact O-N 3.13Å
132	G	92.8	Very high	75.5	Confident	41 Å²	41	50.1 Å²	50.1	42%	0.423	27%	0.266	S	S	.	.			trans	59.7	23.7	177.9	0	0	0	0	0	114.9	P89 I91	P89-G132 PolarHBondContact O-N 2.98Å; I91-G132 WeakPolarHBondContact O-CA 3.35Å; I91-G132 PolarHBondContact O-N 3.25Å
133	L	94.8	Very high	78.7	Confident	20 Å²	20	45.1 Å²	45.1	11%	0.105	24%	0.24	C	C	.	.			trans	-75	155.7	-174.1	-57.8	179.9	0	0	0	112.4	F48 P89 L131 D137 I141	F48-L133 HydrophobicContact CD2-CD1 4.39Å; F48-L133 HydrophobicContact CE1-CD1 4.27Å; F48-L133 HydrophobicContact CE2-CD1 3.86Å; F48-L133 HydrophobicContact CE2-CD2 3.74Å; F48-L133 HydrophobicContact CE2-CG 4.48Å; F48-L133 HydrophobicContact CZ-CD1 3.81Å; F48-L133 HydrophobicContact CZ-CD2 4.01Å; P89-L133 HydrophobicContact CB-CB 4.19Å; P89-L133 HydrophobicContact CB-CD1 3.96Å; P89-L133 HydrophobicContact CB-CG 4.47Å; P89-L133 WeakPolarHBondContact O-CB 3.38Å; P89-L133 PolarHBondContact O-N 3.05Å; L131-L133 HydrophobicContact CB-CD1 4.12Å; L131-L133 HydrophobicContact CB-CD2 4.44Å; L131-L133 HydrophobicContact CB-CG 3.75Å; L131-L133 HydrophobicContact CD1-CD1 4.12Å; L131-L133 PolarHBondContact O-N 3.37Å; L131-L133 VanDerWaalsContact O-N 3.13Å; L133-D137 HydrophobicContact CB-CB 3.88Å; L133-D137 HydrophobicContact CD1-CB 4.2Å; L133-D137 HydrophobicContact CG-CB 4.45Å; L133-I141 HydrophobicContact CD1-CD1 4.32Å
134	G	96.4	Very high	81.8	Confident	20 Å²	20	41.2 Å²	41.2	21%	0.206	22%	0.218	C	C	.	.			trans	-76.1	171	175.5	0	0	0	0	0	113.1	F136 D137 A138	G134-F136 PolarHBondContact O-N 3.25Å; G134-D137 PolarHBondContact N-OD2 3.33Å; G134-D137 PolarHBondContact O-N 2.7Å; G134-A138 PolarHBondContact O-N 3.29Å
135	T	98.3	Very high	84.9	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-34.3	173.4	-45.2	0	0	0	0	111	A138 C139 K312 P315 A374 V377 D378	T135-A138 PolarHBondContact O-N 3.3Å; T135-C139 PolarHBondContact O-N 2.99Å; T135-C139 PolarHBondContact O-SG 2.95Å; T135-K312 WeakPolarHBondContact CG2-O 3.34Å; T135-P315 HydrophobicContact CG2-CB 3.95Å; T135-P315 HydrophobicContact CG2-CG 4.09Å; T135-A374 HydrophobicContact CG2-CB 4.01Å; T135-V377 HydrophobicContact CG2-CG1 3.96Å; T135-V377 VanDerWaalsContact OG1-CG1 3.31Å; T135-V377 WeakPolarHBondContact OG1-CG1 3.35Å; T135-D378 WeakPolarHBondContact CB-OD1 3.38Å; T135-D378 VanDerWaalsContact N-CG 3.29Å; T135-D378 PolarHBondContact N-OD1 3.13Å; T135-D378 PolarHBondContact N-OD2 2.89Å; T135-D378 PolarHBondContact OG1-OD1 3.18Å
136	F	98.6	Very high	87.7	Confident	34 Å²	34	29.3 Å²	29.3	15%	0.149	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-43.7	178.6	-164.3	-79.8	0	0	0	111.6	F41 G134 C139 L140 Q371 A374 W375 D378	F41-F136 AromaticContact CD1-CE1 3.8Å; F41-F136 HydrophobicContact CD1-CE1 3.8Å; F41-F136 HydrophobicContact CD1-CZ 4.15Å; F41-F136 AromaticContact CE1-CE1 3.52Å; F41-F136 HydrophobicContact CE1-CE1 3.52Å; F41-F136 AromaticContact CE1-CZ 3.68Å; F41-F136 HydrophobicContact CE1-CZ 3.68Å; F41-F136 HydrophobicContact CZ-CE1 4.43Å; G134-F136 PolarHBondContact O-N 3.25Å; F136-C139 WeakPolarHBondContact O-CB 3.31Å; F136-C139 PolarHBondContact O-N 3.44Å; F136-L140 PolarHBondContact O-N 3.26Å; F136-Q371 HydrophobicContact CE2-CB 3.83Å; F136-Q371 HydrophobicContact CE2-CG 4.02Å; F136-Q371 HydrophobicContact CZ-CB 4.35Å; F136-Q371 HydrophobicContact CZ-CG 4.08Å; F136-A374 HydrophobicContact CB-CB 4.13Å; F136-A374 HydrophobicContact CD2-CB 4.14Å; F136-W375 HydrophobicContact CD2-CB 4.3Å; F136-D378 WeakPolarHBondContact CB-OD2 3.32Å; F136-D378 PolarHBondContact N-OD2 3.18Å
137	D	98.1	Very high	90.5	Very high	21 Å²	21	24 Å²	24	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-69	-36.9	176.8	-48.9	-49.8	0	0	0	111.3	Q45 L133 G134 C139 L140 I141	Q45-D137 WeakPolarHBondContact CG-OD1 3.39Å; Q45-D137 PolarHBondContact NE2-OD1 3.38Å; L133-D137 HydrophobicContact CB-CB 3.88Å; L133-D137 HydrophobicContact CD1-CB 4.2Å; L133-D137 HydrophobicContact CG-CB 4.45Å; G134-D137 PolarHBondContact N-OD2 3.33Å; G134-D137 PolarHBondContact O-N 2.7Å; D137-C139 VanDerWaalsContact C-N 3.3Å; D137-C139 PolarHBondContact O-N 3.31Å; D137-L140 HydrophobicContact CB-CD2 4.45Å; D137-L140 WeakPolarHBondContact O-CG 3.41Å; D137-L140 PolarHBondContact O-N 2.93Å; D137-I141 WeakPolarHBondContact O-CG1 3.45Å; D137-I141 PolarHBondContact O-N 3.35Å
138	A	98.3	Very high	93	Very high	7 Å²	7	21.5 Å²	21.5	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-38.2	172.3	0	0	0	0	0	111.9	P89 H90 G134 T135 S142 T316	P89-A138 HydrophobicContact CG-CB 3.8Å; H90-A138 WeakPolarHBondContact CE1-CB 3.44Å; H90-A138 WeakPolarHBondContact NE2-CB 3.48Å; G134-A138 PolarHBondContact O-N 3.29Å; T135-A138 PolarHBondContact O-N 3.3Å; A138-S142 WeakPolarHBondContact O-CB 3.45Å; A138-S142 PolarHBondContact O-N 3.17Å; A138-T316 HydrophobicContact CB-CG2 3.72Å
139	C	98.8	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.1	-43.1	178.2	-68.5	0	0	0	0	112.9	T135 F136 D137 I141 S142 E143 P315 S319 Y370	T135-C139 PolarHBondContact O-N 2.99Å; T135-C139 PolarHBondContact O-SG 2.95Å; F136-C139 WeakPolarHBondContact O-CB 3.31Å; F136-C139 PolarHBondContact O-N 3.44Å; D137-C139 VanDerWaalsContact C-N 3.3Å; D137-C139 PolarHBondContact O-N 3.31Å; C139-I141 VanDerWaalsContact C-N 3.3Å; C139-I141 PolarHBondContact O-N 3.49Å; C139-S142 PolarHBondContact O-N 3.36Å; C139-E143 PolarHBondContact O-N 2.92Å; C139-P315 PolarHBondContact SG-O 2.74Å; C139-S319 WeakPolarHBondContact CA-OG 3.46Å; C139-S319 WeakPolarHBondContact O-CB 3.41Å; C139-S319 PolarHBondContact O-OG 3.25Å; C139-Y370 HydrophobicContact CB-CD2 3.58Å; C139-Y370 HydrophobicContact CB-CE2 3.51Å
140	L	98	Very high	96.8	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-64.3	-37.8	178.9	75.9	86.1	0	0	0	111.4	Q45 F48 Q49 F136 D137 E144	Q45-L140 HydrophobicContact CB-CD2 3.74Å; Q45-L140 HydrophobicContact CG-CD2 3.7Å; F48-L140 HydrophobicContact CB-CD1 3.85Å; Q49-L140 HydrophobicContact CB-CD1 3.9Å; F136-L140 PolarHBondContact O-N 3.26Å; D137-L140 HydrophobicContact CB-CD2 4.45Å; D137-L140 WeakPolarHBondContact O-CG 3.41Å; D137-L140 PolarHBondContact O-N 2.93Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å
141	I	98.8	Very high	97.7	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.026	8%	0.077	C	C	.	.	H	α-helix	trans	-67.3	-47.4	175.8	-66.1	168.3	0	0	0	109.4	F48 A52 L86 L133 D137 C139 E143 E144 L145	F48-I141 HydrophobicContact CB-CD1 4.32Å; F48-I141 HydrophobicContact CB-CG1 4.23Å; F48-I141 HydrophobicContact CD1-CD1 4.38Å; F48-I141 HydrophobicContact CG-CD1 4.41Å; A52-I141 HydrophobicContact CB-CG2 4.24Å; L86-I141 HydrophobicContact CB-CG2 4.11Å; L86-I141 HydrophobicContact CD2-CD1 4.43Å; L86-I141 HydrophobicContact CD2-CG1 4.45Å; L86-I141 HydrophobicContact CD2-CG2 4.09Å; L133-I141 HydrophobicContact CD1-CD1 4.32Å; D137-I141 WeakPolarHBondContact O-CG1 3.45Å; D137-I141 PolarHBondContact O-N 3.35Å; C139-I141 VanDerWaalsContact C-N 3.3Å; C139-I141 PolarHBondContact O-N 3.49Å; I141-E143 PolarHBondContact O-N 2.72Å; I141-E144 PolarHBondContact O-N 3.49Å; I141-L145 HydrophobicContact CG2-CD1 3.87Å; I141-L145 HydrophobicContact CG2-CG 4.21Å; I141-L145 WeakPolarHBondContact O-CG 3.31Å; I141-L145 PolarHBondContact O-N 3.42Å
142	S	98.9	Very high	98.1	Very high	8 Å²	8	9.6 Å²	9.6	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-56.4	-45.3	-179.6	-175.8	0	0	0	0	112.5	A138 C139 E144 L145 A146 Q153 T316	A138-S142 WeakPolarHBondContact O-CB 3.45Å; A138-S142 PolarHBondContact O-N 3.17Å; C139-S142 PolarHBondContact O-N 3.36Å; S142-E144 PolarHBondContact O-N 2.99Å; S142-L145 PolarHBondContact O-N 3.04Å; S142-A146 WeakPolarHBondContact O-CB 3.28Å; S142-A146 PolarHBondContact O-N 3.19Å; S142-Q153 PolarHBondContact OG-NE2 2.95Å; S142-T316 PolarHBondContact OG-O 3.22Å
143	E	98.9	Very high	98.4	Very high	12 Å²	12	7.9 Å²	7.9	6%	0.056	5%	0.046	C	C	.	.	H	α-helix	trans	-58.7	-46.5	178.6	-172.1	177.6	140.9	0	0	112	C139 I141 A146 Y147 V322 G323 R367 Y370	C139-E143 PolarHBondContact O-N 2.92Å; I141-E143 PolarHBondContact O-N 2.72Å; E143-A146 PolarHBondContact O-N 2.83Å; E143-Y147 PolarHBondContact O-N 2.96Å; E143-V322 HydrophobicContact CG-CG1 4.3Å; E143-G323 WeakPolarHBondContact O-CA 3.22Å; E143-R367 IonicContact OE1-CZ 3.36Å; E143-R367 VanDerWaalsContact OE1-CZ 3.23Å; E143-R367 IonicContact OE1-NE 2.67Å; E143-R367 PolarHBondContact OE1-NE 3.05Å; E143-R367 IonicContact OE1-NH2 2.95Å; E143-R367 PolarHBondContact OE1-NH2 2.94Å; E143-R367 IonicContact OE2-NE 3.66Å; E143-R367 PolarHBondContact OE2-NE 2.87Å; E143-Y370 WeakPolarHBondContact OE2-CE1 3.17Å; E143-Y370 VanDerWaalsContact OE2-CZ 3.31Å; E143-Y370 PolarHBondContact OE2-OH 2.98Å
144	E	98.9	Very high	98.6	Very high	10 Å²	10	7.1 Å²	7.1	5%	0.047	4%	0.043	C	C	.	.	H	α-helix	trans	-67.6	-40.1	-178.9	-61.7	-66.1	160.3	0	0	111.8	Q49 A52 R53 A56 L140 I141 S142 Y147	Q49-E144 HydrophobicContact CG-CG 3.93Å; Q49-E144 WeakPolarHBondContact CG-OE1 3.47Å; Q49-E144 PolarHBondContact NE2-OE1 3.05Å; A52-E144 HydrophobicContact CB-CB 3.74Å; A52-E144 HydrophobicContact CB-CG 4.27Å; R53-E144 HydrophobicContact CB-CG 4.28Å; R53-E144 WeakPolarHBondContact CB-OE2 3.34Å; R53-E144 VanDerWaalsContact CG-OE2 3.28Å; R53-E144 WeakPolarHBondContact CG-OE2 3.36Å; R53-E144 IonicContact CZ-OE1 3.99Å; R53-E144 IonicContact CZ-OE2 2.71Å; R53-E144 IonicContact NE-OE1 3.89Å; R53-E144 PolarHBondContact NE-OE1 3.07Å; R53-E144 IonicContact NE-OE2 3.43Å; R53-E144 PolarHBondContact NE-OE2 2.55Å; R53-E144 IonicContact NH2-OE1 2.74Å; R53-E144 PolarHBondContact NH2-OE1 3.48Å; R53-E144 IonicContact NH2-OE2 3.28Å; A56-E144 WeakPolarHBondContact CB-O 3.36Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å; I141-E144 PolarHBondContact O-N 3.49Å; S142-E144 PolarHBondContact O-N 2.99Å; E144-Y147 WeakPolarHBondContact O-CB 3.37Å; E144-Y147 PolarHBondContact O-N 3.06Å
145	L	98.9	Very high	98.7	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.016	3%	0.033	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.3	-63.9	179.8	0	0	0	111.7	F55 I60 L86 I141 S142 Y147 G148 C149 Q153 I156	F55-L145 HydrophobicContact CD1-CD2 3.56Å; F55-L145 HydrophobicContact CE1-CD2 3.9Å; I60-L145 HydrophobicContact CD1-CD2 3.96Å; L86-L145 HydrophobicContact CD1-CD2 4.3Å; I141-L145 HydrophobicContact CG2-CD1 3.87Å; I141-L145 HydrophobicContact CG2-CG 4.21Å; I141-L145 WeakPolarHBondContact O-CG 3.31Å; I141-L145 PolarHBondContact O-N 3.42Å; S142-L145 PolarHBondContact O-N 3.04Å; L145-Y147 VanDerWaalsContact C-N 3.34Å; L145-Y147 PolarHBondContact O-N 2.81Å; L145-G148 WeakPolarHBondContact O-CA 3.26Å; L145-G148 PolarHBondContact O-N 2.84Å; L145-G148 VanDerWaalsContact O-N 3.07Å; L145-C149 PolarHBondContact O-N 3.46Å; L145-Q153 HydrophobicContact CB-CB 3.92Å; L145-Q153 HydrophobicContact CB-CG 3.94Å; L145-I156 HydrophobicContact CD1-CD1 4.03Å; L145-I156 HydrophobicContact CD1-CG2 4.41Å
146	A	98.9	Very high	98.8	Very high	2 Å²	2	6.6 Å²	6.6	2%	0.017	4%	0.035	C	C	.	.	H	α-helix	trans	-65.3	-34.5	179.2	0	0	0	0	0	113.1	S142 E143 G148 C149 T150 Q153 G320	S142-A146 WeakPolarHBondContact O-CB 3.28Å; S142-A146 PolarHBondContact O-N 3.19Å; E143-A146 PolarHBondContact O-N 2.83Å; A146-G148 PolarHBondContact O-N 3.28Å; A146-C149 PolarHBondContact O-N 3.35Å; A146-T150 HydrophobicContact CB-CG2 3.85Å; A146-Q153 HydrophobicContact CB-CB 4.37Å; A146-Q153 HydrophobicContact CB-CG 4.09Å; A146-G320 VanDerWaalsContact CB-O 3.25Å; A146-G320 WeakPolarHBondContact CB-O 3.21Å
147	Y	98.9	Very high	98.7	Very high	9 Å²	9	5.9 Å²	5.9	4%	0.035	3%	0.032	C	C	.	.	H	α-helix	trans	-56.6	-36	170.5	179.3	-84.4	0	0	0	112.1	R57 I61 E143 E144 L145 G323 Q326 R327 D330	R57-Y147 PolarHBondContact NH1-OH 3.29Å; R57-Y147 PolarHBondContact NH2-OH 2.98Å; I61-Y147 HydrophobicContact CD1-CD1 4.03Å; I61-Y147 HydrophobicContact CD1-CE1 3.75Å; E143-Y147 PolarHBondContact O-N 2.96Å; E144-Y147 WeakPolarHBondContact O-CB 3.37Å; E144-Y147 PolarHBondContact O-N 3.06Å; L145-Y147 VanDerWaalsContact C-N 3.34Å; L145-Y147 PolarHBondContact O-N 2.81Å; Y147-G323 WeakPolarHBondContact CA-O 3.38Å; Y147-Q326 HydrophobicContact CD2-CB 4.17Å; Y147-Q326 HydrophobicContact CD2-CG 3.96Å; Y147-Q326 HydrophobicContact CE2-CG 4.05Å; Y147-R327 HydrophobicContact CD2-CB 3.73Å; Y147-R327 HydrophobicContact CE2-CB 3.98Å; Y147-R327 HydrophobicContact CG-CB 4.18Å; Y147-R327 WeakPolarHBondContact O-CD 3.41Å; Y147-R327 WeakPolarHBondContact O-CG 3.47Å; Y147-R327 PolarHBondContact O-NH1 3.01Å; Y147-D330 HydrophobicContact CE2-CB 4.24Å; Y147-D330 WeakPolarHBondContact CE2-OD2 3.45Å; Y147-D330 VanDerWaalsContact CZ-OD2 3.26Å; Y147-D330 PolarHBondContact OH-OD2 3.03Å
148	G	98.9	Very high	98.7	Very high	2 Å²	2	5.1 Å²	5.1	2%	0.021	3%	0.029	C	C	.	.	H	α-helix	trans	-69	-64.7	172.8	0	0	0	0	0	112.1	L145 A146 R327	L145-G148 WeakPolarHBondContact O-CA 3.26Å; L145-G148 PolarHBondContact O-N 2.84Å; L145-G148 VanDerWaalsContact O-N 3.07Å; A146-G148 PolarHBondContact O-N 3.28Å; G148-R327 PolarHBondContact O-NH1 3.44Å
149	C	98.9	Very high	98.7	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.014	3%	0.027	C	C	.	.			trans	-162.4	118.6	177.2	-177	0	0	0	0	111.4	I60 A64 L145 A146 G151 V152 Q153 K422	I60-C149 HydrophobicContact CG2-CB 3.5Å; I60-C149 VanDerWaalsContact CG2-CB 3.5Å; A64-C149 HydrophobicContact CB-CB 3.82Å; L145-C149 PolarHBondContact O-N 3.46Å; A146-C149 PolarHBondContact O-N 3.35Å; C149-G151 VanDerWaalsContact C-N 3.27Å; C149-G151 PolarHBondContact O-N 3.49Å; C149-V152 HydrophobicContact CB-CB 4.29Å; C149-V152 HydrophobicContact CB-CG2 3.95Å; C149-V152 PolarHBondContact O-N 3.23Å; C149-Q153 PolarHBondContact O-N 3.44Å; C149-K422 PolarHBondContact SG-NZ 3.37Å
150	T	98.9	Very high	98.6	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.012	3%	0.03	C	C	.	.	H	α-helix	trans	-67.5	-24.6	177.4	58	0	0	0	0	113.6	A146 T154 Q275 L324 D426 Y430	A146-T150 HydrophobicContact CB-CG2 3.85Å; T150-T154 WeakPolarHBondContact O-CB 3.48Å; T150-T154 PolarHBondContact O-N 3.3Å; T150-T154 PolarHBondContact O-OG1 3.33Å; T150-Q275 PolarHBondContact O-NE2 3.04Å; T150-Q275 PolarHBondContact OG1-NE2 3.48Å; T150-L324 HydrophobicContact CG2-CB 3.79Å; T150-L324 HydrophobicContact CG2-CD1 3.77Å; T150-L324 HydrophobicContact CG2-CG 4.31Å; T150-D426 WeakPolarHBondContact OG1-CB 3.38Å; T150-D426 PolarHBondContact OG1-OD2 3.4Å; T150-Y430 WeakPolarHBondContact CB-OH 3.22Å; T150-Y430 HydrophobicContact CG2-CE2 4.01Å; T150-Y430 WeakPolarHBondContact CG2-OH 3.22Å
151	G	98.9	Very high	98.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.9	-39.2	171.5	0	0	0	0	0	113.3	C149 A155	C149-G151 VanDerWaalsContact C-N 3.27Å; C149-G151 PolarHBondContact O-N 3.49Å; G151-A155 PolarHBondContact O-N 2.97Å
152	V	98.9	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-72.9	-47.9	174.6	-179.8	0	0	0	0	110	I60 P74 L77 C149 T154 A155 I156	I60-V152 HydrophobicContact CD1-CG1 4.37Å; I60-V152 HydrophobicContact CG2-CB 4.49Å; I60-V152 HydrophobicContact CG2-CG2 4.22Å; P74-V152 HydrophobicContact CB-CG2 4.04Å; P74-V152 HydrophobicContact CG-CB 4.39Å; P74-V152 HydrophobicContact CG-CG1 4.29Å; P74-V152 HydrophobicContact CG-CG2 3.95Å; L77-V152 HydrophobicContact CB-CG1 4.09Å; L77-V152 HydrophobicContact CD1-CG1 4.2Å; L77-V152 HydrophobicContact CD1-CG2 3.85Å; C149-V152 HydrophobicContact CB-CB 4.29Å; C149-V152 HydrophobicContact CB-CG2 3.95Å; C149-V152 PolarHBondContact O-N 3.23Å; V152-T154 VanDerWaalsContact C-N 3.29Å; V152-T154 PolarHBondContact O-N 2.9Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3Å; V152-A155 VanDerWaalsContact O-N 3.17Å; V152-I156 HydrophobicContact CG1-CD1 4.2Å; V152-I156 PolarHBondContact O-N 2.96Å; V152-I156 VanDerWaalsContact O-N 3.14Å
153	Q	98.9	Very high	98.6	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-59.7	-38.6	178.8	175.4	-79.5	-20.5	0	0	111.8	S142 L145 A146 C149 A155 I156 E157	S142-Q153 PolarHBondContact OG-NE2 2.95Å; L145-Q153 HydrophobicContact CB-CB 3.92Å; L145-Q153 HydrophobicContact CB-CG 3.94Å; A146-Q153 HydrophobicContact CB-CB 4.37Å; A146-Q153 HydrophobicContact CB-CG 4.09Å; C149-Q153 PolarHBondContact O-N 3.44Å; Q153-A155 PolarHBondContact O-N 3.41Å; Q153-I156 CarbonylContact O-C 3.58Å; Q153-I156 WeakPolarHBondContact O-CB 3.23Å; Q153-I156 PolarHBondContact O-N 3.41Å; Q153-I156 VanDerWaalsContact O-N 3.17Å; Q153-E157 PolarHBondContact NE2-OE2 3.27Å; Q153-E157 WeakPolarHBondContact O-CB 3.39Å; Q153-E157 PolarHBondContact O-N 3.37Å
154	T	98.9	Very high	98.5	Very high	5 Å²	5	5.1 Å²	5.1	3%	0.031	3%	0.029	C	C	.	.	H	α-helix	trans	-69.4	-32.1	178.5	-70.2	0	0	0	0	112.2	T150 V152 I156 G158 T226 Q275 Y433	T150-T154 WeakPolarHBondContact O-CB 3.48Å; T150-T154 PolarHBondContact O-N 3.3Å; T150-T154 PolarHBondContact O-OG1 3.33Å; V152-T154 VanDerWaalsContact C-N 3.29Å; V152-T154 PolarHBondContact O-N 2.9Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-G158 PolarHBondContact O-N 3.44Å; T154-T226 HydrophobicContact CG2-CG2 4.03Å; T154-Q275 PolarHBondContact OG1-NE2 3.46Å; T154-Q275 PolarHBondContact OG1-OE1 2.79Å; T154-Y433 HydrophobicContact CG2-CE2 4.23Å
155	A	98.8	Very high	98.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.6	-41.8	170.2	0	0	0	0	0	111.2	Y73 I78 G151 V152 Q153 M188 N227	Y73-A155 HydrophobicContact CE2-CB 3.86Å; I78-A155 HydrophobicContact CD1-CB 4.05Å; G151-A155 PolarHBondContact O-N 2.97Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3Å; V152-A155 VanDerWaalsContact O-N 3.17Å; Q153-A155 PolarHBondContact O-N 3.41Å; A155-M188 WeakPolarHBondContact O-CE 3.36Å; A155-N227 PolarHBondContact O-ND2 2.94Å
156	I	98.6	Very high	98.5	Very high	10 Å²	10	4.5 Å²	4.5	5%	0.051	3%	0.026	C	C	.	.	H	α-helix	trans	-66.6	-47.3	175.9	-68.9	167	0	0	0	111.6	A81 M87 L145 V152 Q153 T154 G158 N159	A81-I156 HydrophobicContact CB-CD1 3.65Å; A81-I156 HydrophobicContact CB-CG1 4.48Å; M87-I156 HydrophobicContact CB-CG2 4.46Å; M87-I156 HydrophobicContact CE-CB 4.47Å; M87-I156 HydrophobicContact CE-CG1 4.22Å; M87-I156 HydrophobicContact CE-CG2 4.36Å; M87-I156 HydrophobicContact CG-CB 4.48Å; M87-I156 HydrophobicContact CG-CD1 4.49Å; M87-I156 HydrophobicContact CG-CG1 4.13Å; M87-I156 HydrophobicContact CG-CG2 3.73Å; M87-I156 HydrophobicContact SD-CG1 3.97Å; M87-I156 HydrophobicContact SD-CG2 4.48Å; L145-I156 HydrophobicContact CD1-CD1 4.03Å; L145-I156 HydrophobicContact CD1-CG2 4.41Å; V152-I156 HydrophobicContact CG1-CD1 4.2Å; V152-I156 PolarHBondContact O-N 2.96Å; V152-I156 VanDerWaalsContact O-N 3.14Å; Q153-I156 CarbonylContact O-C 3.58Å; Q153-I156 WeakPolarHBondContact O-CB 3.23Å; Q153-I156 PolarHBondContact O-N 3.41Å; Q153-I156 VanDerWaalsContact O-N 3.17Å; T154-I156 VanDerWaalsContact C-N 3.34Å; I156-G158 VanDerWaalsContact C-N 3.26Å; I156-G158 PolarHBondContact O-N 2.84Å; I156-N159 WeakPolarHBondContact O-CB 3.07Å; I156-N159 PolarHBondContact O-N 2.93Å
157	E	97.9	Very high	98.5	Very high	18 Å²	18	5.4 Å²	5.4	8%	0.084	3%	0.03	C	C	.	.	H	α-helix	trans	-66.2	-28.4	-179.9	179.9	172.2	-146.5	0	0	112.4	Q153 N159 S160 L161 T316 V317	Q153-E157 PolarHBondContact NE2-OE2 3.27Å; Q153-E157 WeakPolarHBondContact O-CB 3.39Å; Q153-E157 PolarHBondContact O-N 3.37Å; E157-N159 PolarHBondContact O-N 3.29Å; E157-N159 VanDerWaalsContact O-N 3.13Å; E157-S160 WeakPolarHBondContact O-CB 3.14Å; E157-S160 PolarHBondContact O-N 3.2Å; E157-L161 PolarHBondContact O-N 2.93Å; E157-T316 VanDerWaalsContact OE1-CB 3.23Å; E157-T316 WeakPolarHBondContact OE1-CB 3.41Å; E157-T316 PolarHBondContact OE1-OG1 3.25Å; E157-V317 WeakPolarHBondContact OE1-CA 3.44Å; E157-V317 VanDerWaalsContact OE1-CG2 3.25Å; E157-V317 WeakPolarHBondContact OE1-CG2 3.32Å; E157-V317 PolarHBondContact OE1-N 3.34Å
158	G	98.1	Very high	98.4	Very high	6 Å²	6	8.2 Å²	8.2	6%	0.062	5%	0.045	C	C	.	.	H	α-helix	trans	-52.6	-32.4	172.5	0	0	0	0	0	113.2	T154 I156 G162	T154-G158 PolarHBondContact O-N 3.44Å; I156-G158 VanDerWaalsContact C-N 3.26Å; I156-G158 PolarHBondContact O-N 2.84Å; G158-G162 PolarHBondContact O-N 2.91Å; G158-G162 VanDerWaalsContact O-N 3.15Å
159	N	98.4	Very high	98.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.1	-51.3	171.8	-82.5	18	0	0	0	111.9	N88 I156 E157 L161 G162 E163 M182 L187 M188 C189	N88-N159 WeakPolarHBondContact OD1-CB 3.25Å; N88-N159 PolarHBondContact OD1-ND2 3.2Å; I156-N159 WeakPolarHBondContact O-CB 3.07Å; I156-N159 PolarHBondContact O-N 2.93Å; E157-N159 PolarHBondContact O-N 3.29Å; E157-N159 VanDerWaalsContact O-N 3.13Å; N159-L161 PolarHBondContact O-N 3.15Å; N159-L161 VanDerWaalsContact O-N 3.15Å; N159-G162 PolarHBondContact O-N 3.49Å; N159-E163 WeakPolarHBondContact O-CB 3.49Å; N159-E163 WeakPolarHBondContact O-CG 3.49Å; N159-E163 PolarHBondContact O-N 3.36Å; N159-M182 WeakPolarHBondContact ND2-CE 3.47Å; N159-L187 PolarHBondContact ND2-O 3.18Å; N159-M188 WeakPolarHBondContact OD1-CA 3.05Å; N159-M188 VanDerWaalsContact OD1-CE 3.24Å; N159-M188 WeakPolarHBondContact OD1-CE 3.2Å; N159-C189 VanDerWaalsContact CA-SG 3.58Å; N159-C189 PolarHBondContact O-SG 3.46Å; N159-C189 PolarHBondContact OD1-N 3.35Å
160	S	96.8	Very high	98.3	Very high	9 Å²	9	9 Å²	9	6%	0.063	5%	0.052	C	C	.	.	H	α-helix	trans	-56.2	-36.4	178.9	-65.7	0	0	0	0	111.6	E157 M164	E157-S160 WeakPolarHBondContact O-CB 3.14Å; E157-S160 PolarHBondContact O-N 3.2Å; S160-M164 VanDerWaalsContact O-CB 3.3Å; S160-M164 WeakPolarHBondContact O-CB 3.49Å; S160-M164 PolarHBondContact O-N 2.83Å
161	L	97.5	Very high	98.2	Very high	25 Å²	25	12.5 Å²	12.5	13%	0.131	7%	0.071	C	C	.	.	H	α-helix	trans	-67.3	-42.4	176.4	-174.8	63.1	0	0	0	112.9	E157 N159 P165 Y191 T313 E434	E157-L161 PolarHBondContact O-N 2.93Å; N159-L161 PolarHBondContact O-N 3.15Å; N159-L161 VanDerWaalsContact O-N 3.15Å; L161-P165 VanDerWaalsContact O-CD 3.24Å; L161-P165 WeakPolarHBondContact O-CD 3.41Å; L161-Y191 HydrophobicContact CD1-CD1 4.45Å; L161-Y191 HydrophobicContact CD1-CD2 4.39Å; L161-Y191 HydrophobicContact CD1-CG 4.27Å; L161-Y191 HydrophobicContact CD2-CD1 4.07Å; L161-Y191 HydrophobicContact CD2-CG 4.06Å; L161-Y191 HydrophobicContact CG-CD1 4.15Å; L161-Y191 HydrophobicContact CG-CD2 4.17Å; L161-Y191 HydrophobicContact CG-CG 3.75Å; L161-Y191 WeakPolarHBondContact O-CD2 3.37Å; L161-T313 HydrophobicContact CD1-CG2 3.87Å; L161-E434 WeakPolarHBondContact CD1-OE1 3.32Å; L161-E434 WeakPolarHBondContact CD2-OE1 3.27Å
162	G	98.2	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-71.3	-35	175.8	0	0	0	0	0	113.5	G158 N159 P165 W233	G158-G162 PolarHBondContact O-N 2.91Å; G158-G162 VanDerWaalsContact O-N 3.15Å; N159-G162 PolarHBondContact O-N 3.49Å; G162-P165 WeakPolarHBondContact O-CD 3.46Å; G162-W233 WeakPolarHBondContact O-CH2 3.27Å; G162-W233 WeakPolarHBondContact O-CZ3 3.29Å
163	E	98.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-72.3	-37	179.3	-70.4	163.9	-177.9	0	0	112.7	N88 N159 I166 I167 L179 W233	N88-E163 PolarHBondContact OD1-OE1 3.42Å; N88-E163 VanDerWaalsContact OD1-OE1 3.09Å; N159-E163 WeakPolarHBondContact O-CB 3.49Å; N159-E163 WeakPolarHBondContact O-CG 3.49Å; N159-E163 PolarHBondContact O-N 3.36Å; E163-I166 WeakPolarHBondContact O-CA 3.37Å; E163-I166 WeakPolarHBondContact O-CB 3.4Å; E163-I166 PolarHBondContact O-N 3.13Å; E163-I167 HydrophobicContact CB-CD1 4.01Å; E163-I167 WeakPolarHBondContact O-CG1 3.46Å; E163-I167 PolarHBondContact O-N 3.35Å; E163-L179 HydrophobicContact CB-CD2 3.89Å; E163-L179 HydrophobicContact CG-CD2 3.82Å; E163-W233 HydrophobicContact CG-CH2 4.1Å; E163-W233 HydrophobicContact CG-CZ2 4.17Å
164	M	98.5	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.2	-44.2	-170.7	-166.4	60.6	63.4	0	0	114.2	H90 S160 I166 I167 I168 A309 K312 T313	H90-M164 HydrophobicContact CB-CE 4.25Å; S160-M164 VanDerWaalsContact O-CB 3.3Å; S160-M164 WeakPolarHBondContact O-CB 3.49Å; S160-M164 PolarHBondContact O-N 2.83Å; M164-I166 VanDerWaalsContact C-N 3.29Å; M164-I166 PolarHBondContact O-N 2.79Å; M164-I167 PolarHBondContact O-N 3.16Å; M164-I167 HydrophobicContact SD-CB 4.44Å; M164-I167 HydrophobicContact SD-CG2 4.47Å; M164-I168 HydrophobicContact CG-CG2 4.38Å; M164-I168 WeakPolarHBondContact O-CG1 3.37Å; M164-I168 PolarHBondContact O-N 3.19Å; M164-I168 HydrophobicContact SD-CG2 4.02Å; M164-A309 HydrophobicContact CB-CB 4.1Å; M164-A309 HydrophobicContact CG-CB 3.9Å; M164-K312 HydrophobicContact CE-CB 3.58Å; M164-K312 HydrophobicContact CE-CD 4.07Å; M164-K312 HydrophobicContact CE-CG 4.47Å; M164-K312 HydrophobicContact CG-CB 4.08Å; M164-K312 HydrophobicContact SD-CB 3.62Å; M164-K312 HydrophobicContact SD-CD 3.35Å; M164-K312 WeakPolarHBondContact SD-CD 3.27Å; M164-K312 HydrophobicContact SD-CG 4.08Å; M164-T313 HydrophobicContact CB-CG2 4.06Å; M164-T313 HydrophobicContact CG-CG2 4.2Å
165	P	98.6	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-53.6	-41.7	171.7	-30.4	38.4	0	0	0	114	L161 G162 A169 Y191 F235 L296 I305 A309	L161-P165 VanDerWaalsContact O-CD 3.24Å; L161-P165 WeakPolarHBondContact O-CD 3.41Å; G162-P165 WeakPolarHBondContact O-CD 3.46Å; P165-A169 VanDerWaalsContact O-CB 3.22Å; P165-A169 WeakPolarHBondContact O-CB 3.4Å; P165-A169 PolarHBondContact O-N 3.41Å; P165-Y191 HydrophobicContact CG-CD2 4.06Å; P165-Y191 HydrophobicContact CG-CE2 3.9Å; P165-F235 HydrophobicContact CB-CD2 3.37Å; P165-F235 HydrophobicContact CB-CE2 3.59Å; P165-F235 HydrophobicContact CB-CG 3.96Å; P165-F235 HydrophobicContact CB-CZ 4.35Å; P165-F235 HydrophobicContact CG-CB 4.24Å; P165-F235 HydrophobicContact CG-CD1 4.09Å; P165-F235 HydrophobicContact CG-CD2 3.62Å; P165-F235 HydrophobicContact CG-CE1 4.33Å; P165-F235 HydrophobicContact CG-CE2 3.9Å; P165-F235 HydrophobicContact CG-CG 3.7Å; P165-F235 HydrophobicContact CG-CZ 4.24Å; P165-L296 HydrophobicContact CB-CD1 3.89Å; P165-I305 HydrophobicContact CB-CG2 3.7Å; P165-A309 HydrophobicContact CG-CB 4.17Å
166	I	98.5	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-72.7	-38.7	179.8	-51.1	-179.2	0	0	0	110.3	E163 M164 I168 G170 K175 Y178 L179 W233 I256 L296	E163-I166 WeakPolarHBondContact O-CA 3.37Å; E163-I166 WeakPolarHBondContact O-CB 3.4Å; E163-I166 PolarHBondContact O-N 3.13Å; M164-I166 VanDerWaalsContact C-N 3.29Å; M164-I166 PolarHBondContact O-N 2.79Å; I166-I168 PolarHBondContact O-N 2.66Å; I166-G170 WeakPolarHBondContact O-CA 3.33Å; I166-G170 PolarHBondContact O-N 2.79Å; I166-K175 HydrophobicContact CG2-CG 4.11Å; I166-K175 WeakPolarHBondContact O-CE 3.19Å; I166-Y178 HydrophobicContact CD1-CG 4.39Å; I166-L179 HydrophobicContact CB-CD2 4.16Å; I166-L179 HydrophobicContact CB-CG 4.42Å; I166-L179 HydrophobicContact CD1-CD2 4.47Å; I166-L179 HydrophobicContact CG2-CD1 4.17Å; I166-L179 HydrophobicContact CG2-CD2 4.28Å; I166-L179 HydrophobicContact CG2-CG 4.01Å; I166-W233 HydrophobicContact CD1-CE3 4.11Å; I166-W233 HydrophobicContact CD1-CH2 3.46Å; I166-W233 VanDerWaalsContact CD1-CH2 3.46Å; I166-W233 HydrophobicContact CD1-CZ2 4.09Å; I166-W233 HydrophobicContact CD1-CZ3 3.47Å; I166-W233 VanDerWaalsContact CD1-CZ3 3.47Å; I166-W233 HydrophobicContact CG1-CH2 4.45Å; I166-W233 HydrophobicContact CG1-CZ3 4.41Å; I166-I256 HydrophobicContact CD1-CD1 3.66Å; I166-I256 HydrophobicContact CD1-CG1 3.9Å; I166-I256 HydrophobicContact CD1-CG2 4.36Å; I166-I256 HydrophobicContact CG1-CD1 3.92Å; I166-I256 HydrophobicContact CG1-CG1 4.1Å; I166-I256 HydrophobicContact CG2-CD1 4.42Å; I166-L296 HydrophobicContact CG1-CD2 4.46Å
167	I	97.8	Very high	97.3	Very high	21 Å²	21	32.1 Å²	32.1	11%	0.108	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-46.6	177.4	-68	168.4	0	0	0	110.7	H90 E163 M164 K175 L179	H90-I167 HydrophobicContact CB-CD1 3.63Å; E163-I167 HydrophobicContact CB-CD1 4.01Å; E163-I167 WeakPolarHBondContact O-CG1 3.46Å; E163-I167 PolarHBondContact O-N 3.35Å; M164-I167 PolarHBondContact O-N 3.16Å; M164-I167 HydrophobicContact SD-CB 4.44Å; M164-I167 HydrophobicContact SD-CG2 4.47Å; I167-K175 VanDerWaalsContact O-CE 3.3Å; I167-K175 WeakPolarHBondContact O-CE 3.14Å; I167-L179 HydrophobicContact CG1-CD1 3.65Å; I167-L179 HydrophobicContact CG1-CD2 4.37Å
168	I	97.3	Very high	97.3	Very high	68 Å²	68	31.3 Å²	31.3	35%	0.349	16%	0.155	S	C	.	.	H	α-helix	trans	-85.3	-23	-174.5	71.2	-177.2	0	0	0	114.2	M164 I166 A309 K312	M164-I168 HydrophobicContact CG-CG2 4.38Å; M164-I168 WeakPolarHBondContact O-CG1 3.37Å; M164-I168 PolarHBondContact O-N 3.19Å; M164-I168 HydrophobicContact SD-CG2 4.02Å; I166-I168 PolarHBondContact O-N 2.66Å; I168-A309 HydrophobicContact CD1-CB 4.28Å; I168-K312 HydrophobicContact CG2-CD 4.25Å
169	A	98	Very high	97.2	Very high	13 Å²	13	31 Å²	31	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-133.6	-11.4	-168.3	0	0	0	0	0	114.7	P165 I297 I305	P165-A169 VanDerWaalsContact O-CB 3.22Å; P165-A169 WeakPolarHBondContact O-CB 3.4Å; P165-A169 PolarHBondContact O-N 3.41Å; A169-I297 HydrophobicContact CB-CD1 3.58Å; A169-I297 HydrophobicContact CB-CG1 3.83Å; A169-I297 WeakPolarHBondContact O-CG1 3.14Å; A169-I305 HydrophobicContact CB-CD1 3.86Å; A169-I305 HydrophobicContact CB-CG1 3.75Å; A169-I305 HydrophobicContact CB-CG2 3.99Å
170	G	97.8	Very high	97	Very high	7 Å²	7	31 Å²	31	7%	0.072	15%	0.152	C	C	.	.			trans	-72.3	144.5	179.1	0	0	0	0	0	112.5	I166 Q174 K175	I166-G170 WeakPolarHBondContact O-CA 3.33Å; I166-G170 PolarHBondContact O-N 2.79Å; G170-Q174 VanDerWaalsContact CA-OE1 3.27Å; G170-K175 WeakPolarHBondContact O-CE 3.35Å; G170-K175 PolarHBondContact O-NZ 3.06Å
171	N	97.4	Very high	96.9	Very high	77 Å²	77	32.6 Å²	32.6	41%	0.412	16%	0.157	S	C	.	.			trans	-75.3	171.8	166.9	68.7	43.3	0	0	0	111	Q173 Q174 K175	N171-Q173 VanDerWaalsContact C-N 3.32Å; N171-Q173 PolarHBondContact O-N 3.2Å; N171-Q173 WeakPolarHBondContact OD1-CB 3.38Å; N171-Q173 PolarHBondContact OD1-N 3.43Å; N171-Q174 PolarHBondContact ND2-OE1 3.49Å; N171-Q174 PolarHBondContact O-N 3.49Å; N171-Q174 WeakPolarHBondContact OD1-CG 3.44Å; N171-Q174 PolarHBondContact OD1-N 3.08Å; N171-K175 WeakPolarHBondContact O-CG 3.44Å; N171-K175 PolarHBondContact O-N 3.41Å
172	E	95.4	Very high	96.8	Very high	121 Å²	121	31.4 Å²	31.4	57%	0.565	15%	0.15	S	C	*	.	H	α-helix	trans	-58.6	-39.8	-177.5	-65.2	-56.1	117.7	0	0	113.2	K176	E172-K176 VanDerWaalsContact O-CB 3.26Å; E172-K176 WeakPolarHBondContact O-CB 3.13Å; E172-K176 PolarHBondContact O-N 2.97Å
173	Q	95.7	Very high	96.5	Very high	118 Å²	118	31.8 Å²	31.8	55%	0.551	15%	0.153	S	C	*	.	H	α-helix	trans	-65.4	-43.4	178.5	-175	-174.7	-4.7	0	0	111.4	N171 K177	N171-Q173 VanDerWaalsContact C-N 3.32Å; N171-Q173 PolarHBondContact O-N 3.2Å; N171-Q173 WeakPolarHBondContact OD1-CB 3.38Å; N171-Q173 PolarHBondContact OD1-N 3.43Å; Q173-K177 WeakPolarHBondContact O-CB 3.38Å; Q173-K177 PolarHBondContact O-N 3.48Å
174	Q	97.7	Very high	96.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-47.8	177.3	-70.9	167.1	-22.1	0	0	111.1	G170 N171 K177 Y178 I256 E293 V295	G170-Q174 VanDerWaalsContact CA-OE1 3.27Å; N171-Q174 PolarHBondContact ND2-OE1 3.49Å; N171-Q174 PolarHBondContact O-N 3.49Å; N171-Q174 WeakPolarHBondContact OD1-CG 3.44Å; N171-Q174 PolarHBondContact OD1-N 3.08Å; Q174-K177 PolarHBondContact O-N 2.82Å; Q174-Y178 HydrophobicContact CB-CD2 4.43Å; Q174-Y178 WeakPolarHBondContact O-CB 3.41Å; Q174-Y178 VanDerWaalsContact O-CD2 3.29Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.48Å; Q174-Y178 PolarHBondContact O-N 2.96Å; Q174-I256 HydrophobicContact CB-CD1 4.08Å; Q174-I256 HydrophobicContact CG-CD1 4.16Å; Q174-E293 PolarHBondContact NE2-O 3.21Å; Q174-V295 PolarHBondContact NE2-O 3.44Å
175	K	96.3	Very high	95.8	Very high	39 Å²	39	40.8 Å²	40.8	17%	0.17	20%	0.195	C	C	.	.	I	π-helix	trans	-58.8	-52	177.9	-74.7	173.5	176.3	166.2	0	111.1	I166 I167 G170 N171 K177 L179 G180	I166-K175 HydrophobicContact CG2-CG 4.11Å; I166-K175 WeakPolarHBondContact O-CE 3.19Å; I167-K175 VanDerWaalsContact O-CE 3.3Å; I167-K175 WeakPolarHBondContact O-CE 3.14Å; G170-K175 WeakPolarHBondContact O-CE 3.35Å; G170-K175 PolarHBondContact O-NZ 3.06Å; N171-K175 WeakPolarHBondContact O-CG 3.44Å; N171-K175 PolarHBondContact O-N 3.41Å; K175-K177 PolarHBondContact O-N 3.2Å; K175-L179 HydrophobicContact CB-CD1 4.18Å; K175-L179 HydrophobicContact CG-CD1 4.06Å; K175-L179 WeakPolarHBondContact O-CA 3.42Å; K175-L179 WeakPolarHBondContact O-CB 3.4Å; K175-L179 PolarHBondContact O-N 2.95Å; K175-G180 PolarHBondContact O-N 3.46Å
176	K	93	Very high	95.7	Very high	85 Å²	85	42.7 Å²	42.7	37%	0.37	21%	0.207	S	C	.	.	I	π-helix	trans	-57.5	-47.8	177.7	-171.4	172.6	179.5	179.5	0	111.6	D96 Y97 S98 E172 G180	D96-K176 VanDerWaalsContact O-CE 3.25Å; D96-K176 WeakPolarHBondContact O-CE 3.45Å; Y97-K176 HydrophobicContact CD2-CG 4.42Å; Y97-K176 WeakPolarHBondContact CD2-O 3.33Å; S98-K176 WeakPolarHBondContact OG-CE 3.45Å; S98-K176 PolarHBondContact OG-NZ 3.21Å; S98-K176 VanDerWaalsContact OG-NZ 3.14Å; E172-K176 VanDerWaalsContact O-CB 3.26Å; E172-K176 WeakPolarHBondContact O-CB 3.13Å; E172-K176 PolarHBondContact O-N 2.97Å; K176-G180 WeakPolarHBondContact O-CA 3.25Å; K176-G180 PolarHBondContact O-N 2.89Å
177	K	95.5	Very high	95.7	Very high	62 Å²	62	44.8 Å²	44.8	27%	0.27	22%	0.218	S	C	.	.	I	π-helix	trans	-67.8	-46.2	-177.1	-177.4	-179.9	176.9	-169.5	0	113.9	Q173 Q174 K175 R181 E258	Q173-K177 WeakPolarHBondContact O-CB 3.38Å; Q173-K177 PolarHBondContact O-N 3.48Å; Q174-K177 PolarHBondContact O-N 2.82Å; K175-K177 PolarHBondContact O-N 3.2Å; K177-R181 PolarHBondContact O-NE 2.85Å; K177-E258 IonicContact NZ-OE1 2.78Å
178	Y	97.4	Very high	95.7	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.215	C	C	.	.	I	π-helix	trans	-98.1	-32.7	-169.5	-65.9	-79.2	0	0	0	113.5	I166 Q174 R181 M182 W233 I256 E258 N294	I166-Y178 HydrophobicContact CD1-CG 4.39Å; Q174-Y178 HydrophobicContact CB-CD2 4.43Å; Q174-Y178 WeakPolarHBondContact O-CB 3.41Å; Q174-Y178 VanDerWaalsContact O-CD2 3.29Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.48Å; Q174-Y178 PolarHBondContact O-N 2.96Å; Y178-R181 WeakPolarHBondContact O-CG 3.24Å; Y178-M182 WeakPolarHBondContact O-CG 3.18Å; Y178-W233 HydrophobicContact CD1-CB 4.38Å; Y178-W233 HydrophobicContact CD1-CD2 4.32Å; Y178-W233 HydrophobicContact CD1-CG 4.03Å; Y178-W233 PolarHBondContact O-NE1 3.23Å; Y178-I256 HydrophobicContact CD1-CG2 3.4Å; Y178-I256 VanDerWaalsContact CD1-CG2 3.4Å; Y178-I256 HydrophobicContact CD2-CB 4.46Å; Y178-I256 HydrophobicContact CD2-CD1 3.41Å; Y178-I256 VanDerWaalsContact CD2-CD1 3.41Å; Y178-I256 HydrophobicContact CD2-CG1 4.49Å; Y178-I256 HydrophobicContact CD2-CG2 3.97Å; Y178-I256 HydrophobicContact CE1-CB 4.35Å; Y178-I256 HydrophobicContact CE1-CG2 3.34Å; Y178-I256 HydrophobicContact CE2-CB 4.2Å; Y178-I256 HydrophobicContact CE2-CD1 3.66Å; Y178-I256 HydrophobicContact CE2-CG2 3.92Å; Y178-I256 HydrophobicContact CG-CD1 4.03Å; Y178-I256 HydrophobicContact CG-CG2 3.75Å; Y178-E258 WeakPolarHBondContact CE1-OE1 3.41Å; Y178-N294 PolarHBondContact OH-ND2 3.35Å; Y178-N294 PolarHBondContact OH-OD1 3.26Å
179	L	96.8	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-85.3	-38.6	174.3	-53.2	178.5	0	0	0	111	I91 C95 E163 I166 I167 K175 R181 M182	I91-L179 HydrophobicContact CD1-CB 4.18Å; I91-L179 HydrophobicContact CG1-CB 4.33Å; I91-L179 HydrophobicContact CG1-CD2 4.49Å; I91-L179 HydrophobicContact CG2-CB 3.97Å; C95-L179 HydrophobicContact CB-CB 4.26Å; E163-L179 HydrophobicContact CB-CD2 3.89Å; E163-L179 HydrophobicContact CG-CD2 3.82Å; I166-L179 HydrophobicContact CB-CD2 4.16Å; I166-L179 HydrophobicContact CB-CG 4.42Å; I166-L179 HydrophobicContact CD1-CD2 4.47Å; I166-L179 HydrophobicContact CG2-CD1 4.17Å; I166-L179 HydrophobicContact CG2-CD2 4.28Å; I166-L179 HydrophobicContact CG2-CG 4.01Å; I167-L179 HydrophobicContact CG1-CD1 3.65Å; I167-L179 HydrophobicContact CG1-CD2 4.37Å; K175-L179 HydrophobicContact CB-CD1 4.18Å; K175-L179 HydrophobicContact CG-CD1 4.06Å; K175-L179 WeakPolarHBondContact O-CA 3.42Å; K175-L179 WeakPolarHBondContact O-CB 3.4Å; K175-L179 PolarHBondContact O-N 2.95Å; L179-R181 PolarHBondContact O-N 3.47Å; L179-M182 VanDerWaalsContact O-CB 3.27Å; L179-M182 WeakPolarHBondContact O-CB 3.07Å; L179-M182 PolarHBondContact O-N 2.9Å
180	G	94.3	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-43.1	179.6	0	0	0	0	0	113.4	C95 K175 K176 M182 T183 E184	C95-G180 WeakPolarHBondContact O-CA 3.45Å; K175-G180 PolarHBondContact O-N 3.46Å; K176-G180 WeakPolarHBondContact O-CA 3.25Å; K176-G180 PolarHBondContact O-N 2.89Å; G180-M182 PolarHBondContact O-N 2.71Å; G180-M182 VanDerWaalsContact O-N 3.09Å; G180-T183 PolarHBondContact O-N 3.42Å; G180-T183 PolarHBondContact O-OG1 3.49Å; G180-E184 PolarHBondContact O-N 3.17Å
181	R	94.6	Very high	95.9	Very high	41 Å²	41	41 Å²	41	16%	0.155	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-23.2	176.3	71.4	174.9	91.9	174.4	6.2	114	K177 Y178 L179 T183 E185 L187 E258	K177-R181 PolarHBondContact O-NE 2.85Å; Y178-R181 WeakPolarHBondContact O-CG 3.24Å; L179-R181 PolarHBondContact O-N 3.47Å; R181-T183 VanDerWaalsContact C-N 3.31Å; R181-E185 PolarHBondContact O-N 2.94Å; R181-L187 HydrophobicContact CB-CD1 4.12Å; R181-L187 HydrophobicContact CG-CD1 3.94Å; R181-E258 IonicContact CZ-OE1 3.47Å; R181-E258 IonicContact CZ-OE2 3.26Å; R181-E258 IonicContact NH1-OE1 3.52Å; R181-E258 PolarHBondContact NH1-OE1 2.94Å; R181-E258 IonicContact NH1-OE2 3.15Å; R181-E258 PolarHBondContact NH1-OE2 3.46Å; R181-E258 IonicContact NH2-OE1 2.84Å; R181-E258 PolarHBondContact NH2-OE1 3.03Å; R181-E258 IonicContact NH2-OE2 3.47Å
182	M	95.8	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-78.8	-18.3	178.4	-48.1	-65.4	-70.6	0	0	111.8	W82 N88 I91 N159 Y178 L179 G180 E185 L187 C189 W233	W82-M182 PolarHBondContact NE1-O 3.47Å; N88-M182 PolarHBondContact ND2-O 2.91Å; N88-M182 VanDerWaalsContact ND2-O 3.09Å; I91-M182 HydrophobicContact CD1-CB 3.7Å; I91-M182 HydrophobicContact CD1-CG 4.38Å; N159-M182 WeakPolarHBondContact ND2-CE 3.47Å; Y178-M182 WeakPolarHBondContact O-CG 3.18Å; L179-M182 VanDerWaalsContact O-CB 3.27Å; L179-M182 WeakPolarHBondContact O-CB 3.07Å; L179-M182 PolarHBondContact O-N 2.9Å; G180-M182 PolarHBondContact O-N 2.71Å; G180-M182 VanDerWaalsContact O-N 3.09Å; M182-E185 CarbonylContact C-O 3.45Å; M182-L187 HydrophobicContact CE-CB 4.28Å; M182-L187 WeakPolarHBondContact CE-O 3.2Å; M182-L187 HydrophobicContact SD-CB 3.82Å; M182-C189 HydrophobicContact CE-CB 3.93Å; M182-W233 HydrophobicContact CE-CZ2 4.43Å; M182-W233 HydrophobicContact CG-CZ2 4.25Å; M182-W233 HydrophobicContact SD-CZ2 4.09Å; M182-W233 PolarHBondContact SD-NE1 2.9Å
183	T	91.4	Very high	96.1	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-90.4	-22	172.3	70.1	0	0	0	0	111.7	W82 I91 L128 G180 R181	W82-T183 VanDerWaalsContact CZ2-O 3.3Å; W82-T183 WeakPolarHBondContact CZ2-O 3.44Å; I91-T183 HydrophobicContact CB-CG2 4.44Å; I91-T183 HydrophobicContact CD1-CG2 4.04Å; I91-T183 HydrophobicContact CG2-CG2 3.85Å; L128-T183 PolarHBondContact O-OG1 2.85Å; G180-T183 PolarHBondContact O-N 3.42Å; G180-T183 PolarHBondContact O-OG1 3.49Å; R181-T183 VanDerWaalsContact C-N 3.31Å
184	E	89.9	Confident	96.3	Very high	71 Å²	71	28.5 Å²	28.5	33%	0.332	14%	0.137	S	C	.	.	H	α-helix	trans	-80.5	-41.1	177.3	-66.2	-178.9	140.9	0	0	113	W82 Y97 L128 G180	W82-E184 WeakPolarHBondContact CZ2-O 3.44Å; Y97-E184 VanDerWaalsContact CB-OE1 3.31Å; Y97-E184 WeakPolarHBondContact CB-OE1 3.38Å; L128-E184 HydrophobicContact CD2-CG 4.2Å; G180-E184 PolarHBondContact O-N 3.17Å
185	E	93.4	Very high	96.3	Very high	117 Å²	117	28.9 Å²	28.9	55%	0.547	14%	0.139	S	C	.	.	S	Bend	trans	-133.8	154.2	-177.4	-70.6	-172.8	-175.6	0	0	110.8	W82 R181 M182 L187	W82-E185 PolarHBondContact NE1-O 2.94Å; R181-E185 PolarHBondContact O-N 2.94Å; M182-E185 CarbonylContact C-O 3.45Å; E185-L187 HydrophobicContact CB-CD1 4.46Å; E185-L187 HydrophobicContact CB-CD2 4.36Å; E185-L187 HydrophobicContact CB-CG 3.9Å; E185-L187 PolarHBondContact O-N 2.79Å
186	P	96.1	Very high	96.4	Very high	40 Å²	40	30.9 Å²	30.9	26%	0.26	16%	0.156	S	C	.	.			trans	-74.8	54.7	176	33.8	-37.6	0	0	0	111.3	R79 W82	R79-P186 HydrophobicContact CG-CG 4.34Å; W82-P186 HydrophobicContact CB-CB 3.9Å; W82-P186 HydrophobicContact CD2-CB 3.84Å; W82-P186 HydrophobicContact CE3-CB 4.2Å; W82-P186 HydrophobicContact CG-CB 3.7Å
187	L	98.3	Very high	96.6	Very high	44 Å²	44	30.6 Å²	30.6	23%	0.23	18%	0.177	C	C	.	.			trans	-73	153.8	176.3	-63.4	178.3	0	0	0	110.4	N159 R181 M182 E185	N159-L187 PolarHBondContact ND2-O 3.18Å; R181-L187 HydrophobicContact CB-CD1 4.12Å; R181-L187 HydrophobicContact CG-CD1 3.94Å; M182-L187 HydrophobicContact CE-CB 4.28Å; M182-L187 WeakPolarHBondContact CE-O 3.2Å; M182-L187 HydrophobicContact SD-CB 3.82Å; E185-L187 HydrophobicContact CB-CD1 4.46Å; E185-L187 HydrophobicContact CB-CD2 4.36Å; E185-L187 HydrophobicContact CB-CG 3.9Å; E185-L187 PolarHBondContact O-N 2.79Å
188	M	98.8	Very high	96.6	Very high	10 Å²	10	28 Å²	28	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.7	171.7	-50.7	-52.3	-69.2	0	0	110.1	Y73 I78 M87 A155 N159 N227 K230 A231 S232	Y73-M188 WeakPolarHBondContact OH-CE 3.31Å; I78-M188 HydrophobicContact CD1-CE 4.36Å; I78-M188 HydrophobicContact CG2-CE 4.18Å; I78-M188 HydrophobicContact CG2-SD 3.54Å; I78-M188 VanDerWaalsContact CG2-SD 3.54Å; M87-M188 HydrophobicContact CE-CE 3.87Å; M87-M188 HydrophobicContact CE-SD 3.9Å; A155-M188 WeakPolarHBondContact O-CE 3.36Å; N159-M188 WeakPolarHBondContact OD1-CA 3.05Å; N159-M188 VanDerWaalsContact OD1-CE 3.24Å; N159-M188 WeakPolarHBondContact OD1-CE 3.2Å; M188-N227 HydrophobicContact CB-CB 4.5Å; M188-K230 HydrophobicContact CB-CB 4.48Å; M188-K230 HydrophobicContact CG-CB 4.46Å; M188-A231 CarbonylContact O-C 3.57Å; M188-A231 WeakPolarHBondContact O-CA 3.23Å; M188-S232 PolarHBondContact O-N 2.82Å; M188-S232 PolarHBondContact O-OG 3.25Å
189	C	98.8	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	173	166.3	72.2	0	0	0	0	110	N159 M182 N227 W233	N159-C189 VanDerWaalsContact CA-SG 3.58Å; N159-C189 PolarHBondContact O-SG 3.46Å; N159-C189 PolarHBondContact OD1-N 3.35Å; M182-C189 HydrophobicContact CE-CB 3.93Å; C189-N227 PolarHBondContact O-ND2 3.44Å; C189-W233 WeakPolarHBondContact CA-O 3.46Å; C189-W233 HydrophobicContact CB-CD2 3.65Å; C189-W233 VanDerWaalsContact CB-CE2 3.41Å; C189-W233 HydrophobicContact CB-CE3 3.85Å; C189-W233 HydrophobicContact CB-CG 4.35Å; C189-W233 HydrophobicContact CB-CH2 3.59Å; C189-W233 HydrophobicContact CB-CZ2 3.4Å; C189-W233 HydrophobicContact CB-CZ3 3.82Å; C189-W233 WeakPolarHBondContact CB-O 3.4Å; C189-W233 WeakPolarHBondContact SG-CH2 3.36Å; C189-W233 VanDerWaalsContact SG-CZ2 3.54Å
190	A	98.9	Very high	96.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	160	-175.6	0	0	0	0	0	113.1	I225 T226 N227 A231 W233 Y234 F235	A190-I225 HydrophobicContact CB-CG2 3.85Å; A190-T226 WeakPolarHBondContact CB-O 3.37Å; A190-N227 HydrophobicContact CB-CB 4.26Å; A190-A231 HydrophobicContact CB-CB 3.74Å; A190-W233 PolarHBondContact N-O 2.77Å; A190-Y234 HydrophobicContact CB-CD1 3.65Å; A190-Y234 HydrophobicContact CB-CE1 3.92Å; A190-Y234 CarbonylContact O-C 3.55Å; A190-Y234 VanDerWaalsContact O-CA 3.3Å; A190-Y234 WeakPolarHBondContact O-CA 3.44Å; A190-F235 PolarHBondContact O-N 2.84Å
191	Y	98.8	Very high	96.5	Very high	20 Å²	20	37.6 Å²	37.6	8%	0.078	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.7	-175.8	179.6	-91	0	0	0	110.8	L161 P165 V193 F235 A306 F310	L161-Y191 HydrophobicContact CD1-CD1 4.45Å; L161-Y191 HydrophobicContact CD1-CD2 4.39Å; L161-Y191 HydrophobicContact CD1-CG 4.27Å; L161-Y191 HydrophobicContact CD2-CD1 4.07Å; L161-Y191 HydrophobicContact CD2-CG 4.06Å; L161-Y191 HydrophobicContact CG-CD1 4.15Å; L161-Y191 HydrophobicContact CG-CD2 4.17Å; L161-Y191 HydrophobicContact CG-CG 3.75Å; L161-Y191 WeakPolarHBondContact O-CD2 3.37Å; P165-Y191 HydrophobicContact CG-CD2 4.06Å; P165-Y191 HydrophobicContact CG-CE2 3.9Å; Y191-V193 HydrophobicContact CD1-CB 4.27Å; Y191-V193 HydrophobicContact CD1-CG2 3.85Å; Y191-V193 HydrophobicContact CE1-CB 3.65Å; Y191-V193 HydrophobicContact CE1-CG2 3.12Å; Y191-V193 HydrophobicContact CE2-CG2 4.12Å; Y191-V193 WeakPolarHBondContact OH-CG2 3.46Å; Y191-F235 HydrophobicContact CD2-CB 4.22Å; Y191-F235 AromaticContact CD2-CD1 3.12Å; Y191-F235 HydrophobicContact CD2-CD1 3.12Å; Y191-F235 AromaticContact CD2-CE1 3.66Å; Y191-F235 HydrophobicContact CD2-CE1 3.66Å; Y191-F235 AromaticContact CD2-CG 3.91Å; Y191-F235 HydrophobicContact CD2-CG 3.91Å; Y191-F235 AromaticContact CE2-CD1 3.17Å; Y191-F235 HydrophobicContact CE2-CD1 3.17Å; Y191-F235 AromaticContact CE2-CE1 3.14Å; Y191-F235 HydrophobicContact CE2-CE1 3.14Å; Y191-F235 HydrophobicContact CE2-CG 4.14Å; Y191-F235 HydrophobicContact CE2-CZ 4.09Å; Y191-F235 AromaticContact CG-CD1 3.92Å; Y191-F235 HydrophobicContact CG-CD1 3.92Å; Y191-F235 AromaticContact CZ-CE1 3.7Å; Y191-A306 VanDerWaalsContact OH-CB 3.31Å; Y191-A306 WeakPolarHBondContact OH-CB 3.2Å; Y191-F310 HydrophobicContact CE1-CZ 4.44Å
192	C	98.8	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	89.5	-171	-66.3	0	0	0	0	111.8	K222 I225 Y234 F235 L236 L237	C192-K222 HydrophobicContact CB-CB 4.46Å; C192-K222 HydrophobicContact CB-CD 4.45Å; C192-K222 HydrophobicContact CB-CG 4.04Å; C192-I225 HydrophobicContact CB-CD1 4.41Å; C192-Y234 VanDerWaalsContact SG-CD1 3.55Å; C192-F235 WeakPolarHBondContact CA-O 3.37Å; C192-F235 VanDerWaalsContact CB-O 3.26Å; C192-F235 WeakPolarHBondContact CB-O 3.45Å; C192-F235 PolarHBondContact N-O 3.17Å; C192-L236 HydrophobicContact CB-CB 4.42Å; C192-L236 HydrophobicContact CB-CD1 3.59Å; C192-L237 PolarHBondContact O-N 3.29Å
193	V	98.7	Very high	96.6	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	24%	0.244	C	C	.	.			trans	-119.9	-55.8	175.8	173.2	0	0	0	0	112.2	Y191 V202 K222 F235 L237	Y191-V193 HydrophobicContact CD1-CB 4.27Å; Y191-V193 HydrophobicContact CD1-CG2 3.85Å; Y191-V193 HydrophobicContact CE1-CB 3.65Å; Y191-V193 HydrophobicContact CE1-CG2 3.12Å; Y191-V193 HydrophobicContact CE2-CG2 4.12Å; Y191-V193 WeakPolarHBondContact OH-CG2 3.46Å; V193-V202 HydrophobicContact CG1-CG1 3.76Å; V193-V202 HydrophobicContact CG1-CG2 4.14Å; V193-K222 WeakPolarHBondContact O-CD 3.45Å; V193-K222 PolarHBondContact O-NZ 3.15Å; V193-F235 HydrophobicContact CG2-CD1 4.47Å; V193-F235 HydrophobicContact CG2-CE1 3.84Å; V193-L237 HydrophobicContact CG1-CD2 4.17Å; V193-L237 HydrophobicContact CG2-CB 3.73Å; V193-L237 HydrophobicContact CG2-CD2 4.26Å
194	T	98.6	Very high	96.8	Very high	47 Å²	47	38.5 Å²	38.5	29%	0.288	25%	0.248	S	C	.	.			trans	-60.4	142	-175.2	-59.6	0	0	0	0	111.9	K222 M223	T194-K222 CarbonylContact O-C 3.55Å; T194-K222 VanDerWaalsContact O-CA 3.26Å; T194-K222 WeakPolarHBondContact O-CA 3.33Å; T194-K222 WeakPolarHBondContact O-CD 3.25Å; T194-M223 WeakPolarHBondContact CB-O 3.37Å; T194-M223 PolarHBondContact O-N 3.41Å
195	E	98.8	Very high	97.2	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.065	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-124.7	161.6	178.2	-60.9	-169.9	171.8	0	0	109.7	G197 A198 I205 K206 T207 Q221 K222	E195-G197 PolarHBondContact O-N 3.43Å; E195-G197 VanDerWaalsContact O-N 3.12Å; E195-A198 HydrophobicContact CB-CB 4.46Å; E195-A198 PolarHBondContact N-O 3.48Å; E195-A198 CarbonylContact O-C 3.56Å; E195-A198 PolarHBondContact O-N 3.45Å; E195-A198 VanDerWaalsContact O-N 3.09Å; E195-I205 HydrophobicContact CG-CB 4.23Å; E195-I205 HydrophobicContact CG-CG2 4.08Å; E195-I205 WeakPolarHBondContact OE1-CB 3.3Å; E195-I205 WeakPolarHBondContact OE2-CA 3.31Å; E195-K206 VanDerWaalsContact CD-N 3.33Å; E195-K206 PolarHBondContact OE1-N 2.77Å; E195-K206 PolarHBondContact OE2-N 2.9Å; E195-T207 WeakPolarHBondContact OE1-CB 3.3Å; E195-T207 PolarHBondContact OE1-N 3.06Å; E195-T207 PolarHBondContact OE1-OG1 2.99Å; E195-Q221 VanDerWaalsContact CG-O 3.31Å; E195-Q221 WeakPolarHBondContact CG-O 3.45Å; E195-K222 HydrophobicContact CG-CD 3.92Å; E195-K222 IonicContact OE1-NZ 3.7Å; E195-K222 PolarHBondContact OE1-NZ 3.49Å
196	P	98.3	Very high	97.5	Very high	81 Å²	81	36.4 Å²	36.4	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.7	175.5	-26.6	34.6	0	0	0	113.4	Q221 M223	P196-Q221 HydrophobicContact CG-CG 4.13Å; P196-M223 HydrophobicContact CG-CB 4.04Å
197	G	96.9	Very high	97.6	Very high	80 Å²	80	34.6 Å²	34.6	83%	0.825	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-6	-179.8	0	0	0	0	0	115.7	E195	E195-G197 PolarHBondContact O-N 3.43Å; E195-G197 VanDerWaalsContact O-N 3.12Å
198	A	96.3	Very high	97.6	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-152.9	112.3	-172.4	0	0	0	0	0	112.5	E195 I205	E195-A198 HydrophobicContact CB-CB 4.46Å; E195-A198 PolarHBondContact N-O 3.48Å; E195-A198 CarbonylContact O-C 3.56Å; E195-A198 PolarHBondContact O-N 3.45Å; E195-A198 VanDerWaalsContact O-N 3.09Å; A198-I205 HydrophobicContact CB-CG2 4.01Å
199	G	95.9	Very high	97.6	Very high	34 Å²	34	39 Å²	39	35%	0.351	24%	0.243	S	C	.	.	S	Bend	trans	-117.9	-78.1	172.2	0	0	0	0	0	111.5	D201	G199-D201 VanDerWaalsContact C-N 3.26Å; G199-D201 PolarHBondContact O-N 2.88Å
200	S	95.1	Very high	97.6	Very high	67 Å²	67	44.2 Å²	44.2	47%	0.469	27%	0.267	S	S	.	.	S	Bend	trans	-56.7	-38.9	176.7	-63.4	0	0	0	0	113.3	V202	S200-V202 PolarHBondContact O-N 2.95Å
201	D	95.2	Very high	97.6	Very high	100 Å²	100	49.8 Å²	49.8	54%	0.535	29%	0.291	S	S	.	.			trans	-87.4	78.3	173.9	-178.8	17.9	0	0	0	110.5	G199 A203 G204	G199-D201 VanDerWaalsContact C-N 3.26Å; G199-D201 PolarHBondContact O-N 2.88Å; D201-A203 PolarHBondContact O-N 2.78Å; D201-A203 PolarHBondContact OD1-N 2.77Å; D201-G204 WeakPolarHBondContact O-CA 3.48Å; D201-G204 PolarHBondContact O-N 3.36Å; D201-G204 PolarHBondContact OD1-N 3.17Å
202	V	95.1	Very high	97.5	Very high	20 Å²	20	53.6 Å²	53.6	12%	0.121	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27.8	177.7	177.2	0	0	0	0	111.8	V193 S200 G204 I205 L237 F303 M307	V193-V202 HydrophobicContact CG1-CG1 3.76Å; V193-V202 HydrophobicContact CG1-CG2 4.14Å; S200-V202 PolarHBondContact O-N 2.95Å; V202-G204 PolarHBondContact O-N 3.14Å; V202-I205 WeakPolarHBondContact O-CG1 3.3Å; V202-I205 WeakPolarHBondContact O-CG2 3.43Å; V202-L237 HydrophobicContact CG1-CD2 3.75Å; V202-F303 HydrophobicContact CB-CE2 4.18Å; V202-F303 HydrophobicContact CG1-CD2 4.29Å; V202-F303 HydrophobicContact CG1-CE2 4.01Å; V202-M307 HydrophobicContact CB-CE 4.39Å; V202-M307 HydrophobicContact CG1-CE 4.24Å; V202-M307 HydrophobicContact CG2-CE 4.25Å
203	A	95.9	Very high	97.3	Very high	36 Å²	36	56.6 Å²	56.6	30%	0.298	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-73	-13.4	175.2	0	0	0	0	0	112.7	D201 A248 F252 F303	D201-A203 PolarHBondContact O-N 2.78Å; D201-A203 PolarHBondContact OD1-N 2.77Å; A203-A248 HydrophobicContact CB-CB 4.09Å; A203-F252 HydrophobicContact CB-CE2 4.43Å; A203-F252 HydrophobicContact CB-CZ 4.5Å; A203-F252 WeakPolarHBondContact O-CZ 3.43Å; A203-F303 HydrophobicContact CB-CE2 4.27Å
204	G	97	Very high	97.2	Very high	13 Å²	13	61.7 Å²	61.7	13%	0.134	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-80.5	-11.6	178	0	0	0	0	0	114.9	D201 V202 K206	D201-G204 WeakPolarHBondContact O-CA 3.48Å; D201-G204 PolarHBondContact O-N 3.36Å; D201-G204 PolarHBondContact OD1-N 3.17Å; V202-G204 PolarHBondContact O-N 3.14Å; G204-K206 WeakPolarHBondContact O-CD 3.28Å; G204-K206 WeakPolarHBondContact O-CE 3.22Å; G204-K206 PolarHBondContact O-NZ 3.36Å
205	I	98.3	Very high	97.2	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	37%	0.366	C	S	.	.			trans	-58.7	146.9	-175.4	69.7	171.1	0	0	0	112.6	E195 A198 V202 L237 F252	E195-I205 HydrophobicContact CG-CB 4.23Å; E195-I205 HydrophobicContact CG-CG2 4.08Å; E195-I205 WeakPolarHBondContact OE1-CB 3.3Å; E195-I205 WeakPolarHBondContact OE2-CA 3.31Å; A198-I205 HydrophobicContact CB-CG2 4.01Å; V202-I205 WeakPolarHBondContact O-CG1 3.3Å; V202-I205 WeakPolarHBondContact O-CG2 3.43Å; I205-L237 HydrophobicContact CD1-CB 4.21Å; I205-L237 HydrophobicContact CD1-CD2 3.83Å; I205-L237 HydrophobicContact CD1-CG 3.8Å; I205-L237 WeakPolarHBondContact CD1-O 3.43Å; I205-F252 HydrophobicContact CD1-CD1 3.79Å; I205-F252 HydrophobicContact CD1-CE1 3.92Å; I205-F252 HydrophobicContact CG1-CD1 3.82Å; I205-F252 HydrophobicContact CG1-CE1 3.4Å; I205-F252 VanDerWaalsContact CG1-CE1 3.4Å; I205-F252 HydrophobicContact CG1-CZ 4.28Å
206	K	98.4	Very high	97.2	Very high	144 Å²	144	62.1 Å²	62.1	63%	0.626	37%	0.365	S	S	*	.			trans	-119.8	-12	-170.3	-57.5	-55.6	-179.3	-161.2	0	114.4	E195 G204 K208	E195-K206 VanDerWaalsContact CD-N 3.33Å; E195-K206 PolarHBondContact OE1-N 2.77Å; E195-K206 PolarHBondContact OE2-N 2.9Å; G204-K206 WeakPolarHBondContact O-CD 3.28Å; G204-K206 WeakPolarHBondContact O-CE 3.22Å; G204-K206 PolarHBondContact O-NZ 3.36Å; K206-K208 WeakPolarHBondContact O-CG 3.46Å; K206-K208 PolarHBondContact O-N 3.38Å; K206-K208 VanDerWaalsContact O-N 3.17Å
207	T	98.8	Very high	97.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	34%	0.342	C	S	.	.			trans	-53.3	123.1	171	-61.1	0	0	0	0	108.8	E195 I218 N219 K222 A238 R239	E195-T207 WeakPolarHBondContact OE1-CB 3.3Å; E195-T207 PolarHBondContact OE1-N 3.06Å; E195-T207 PolarHBondContact OE1-OG1 2.99Å; T207-I218 HydrophobicContact CG2-CG2 3.82Å; T207-N219 CarbonylContact C-O 3.57Å; T207-N219 WeakPolarHBondContact CA-O 3.46Å; T207-K222 WeakPolarHBondContact OG1-CE 3.46Å; T207-K222 PolarHBondContact OG1-NZ 3.43Å; T207-A238 HydrophobicContact CG2-CB 3.94Å; T207-A238 CarbonylContact O-C 3.58Å; T207-A238 WeakPolarHBondContact O-CA 3.48Å; T207-R239 PolarHBondContact O-N 3.47Å
208	K	98.7	Very high	97.3	Very high	142 Å²	142	55 Å²	55	62%	0.617	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	147.7	-174.6	-61.7	-177.1	-177.3	174.8	0	110.6	K206 I218 N219 R239	K206-K208 WeakPolarHBondContact O-CG 3.46Å; K206-K208 PolarHBondContact O-N 3.38Å; K206-K208 VanDerWaalsContact O-N 3.17Å; K208-I218 VanDerWaalsContact O-CA 3.31Å; K208-I218 WeakPolarHBondContact O-CA 3.22Å; K208-N219 PolarHBondContact N-O 2.84Å; K208-N219 PolarHBondContact O-N 2.85Å; K208-R239 CarbonylContact C-O 3.49Å; K208-R239 WeakPolarHBondContact CA-O 3.37Å
209	A	98.8	Very high	97.4	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.8	167.7	0	0	0	0	0	109.4	Y216 I217 I218 A238 R239 F255	A209-Y216 HydrophobicContact CB-CD1 4.19Å; A209-I217 WeakPolarHBondContact CA-O 3.3Å; A209-I218 HydrophobicContact CB-CD1 3.38Å; A209-A238 HydrophobicContact CB-CB 3.87Å; A209-R239 PolarHBondContact N-O 3.12Å; A209-F255 HydrophobicContact CB-CE2 3.64Å; A209-F255 HydrophobicContact CB-CZ 3.54Å
210	E	98.6	Very high	97.5	Very high	109 Å²	109	56.8 Å²	56.8	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.2	178.6	-172.1	-168.9	166.5	0	0	110	K212 Y216 I217	E210-K212 PolarHBondContact O-N 2.99Å; E210-K212 WeakPolarHBondContact OE1-CE 3.38Å; E210-K212 IonicContact OE1-NZ 2.7Å; E210-K212 WeakPolarHBondContact OE2-CE 3.49Å; E210-K212 IonicContact OE2-NZ 3.42Å; E210-Y216 CarbonylContact O-C 3.57Å; E210-Y216 VanDerWaalsContact O-CA 3.29Å; E210-Y216 WeakPolarHBondContact O-CA 3.44Å; E210-I217 PolarHBondContact N-O 2.99Å; E210-I217 PolarHBondContact O-N 3.06Å
211	K	98	Very high	97.7	Very high	118 Å²	118	57.9 Å²	57.9	51%	0.513	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.7	177.1	-167	176.2	-165.6	159.1	0	110.8	Y216 D299	K211-Y216 HydrophobicContact CB-CD1 4.04Å; K211-Y216 HydrophobicContact CB-CE1 3.72Å; K211-Y216 HydrophobicContact CD-CE1 4.3Å; K211-Y216 HydrophobicContact CD-CE2 4.46Å; K211-Y216 WeakPolarHBondContact CD-OH 3.48Å; K211-Y216 WeakPolarHBondContact CE-OH 3.15Å; K211-Y216 HydrophobicContact CG-CE1 4.02Å; K211-Y216 HydrophobicContact CG-CE2 4.14Å; K211-Y216 PolarHBondContact NZ-OH 3.24Å; K211-D299 IonicContact NZ-OD2 2.79Å
212	K	97.2	Very high	97.9	Very high	99 Å²	99	53.1 Å²	53.1	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	97.7	174	-64.5	-165.6	-172.3	172	0	109.8	E210 D214 E215 I217	E210-K212 PolarHBondContact O-N 2.99Å; E210-K212 WeakPolarHBondContact OE1-CE 3.38Å; E210-K212 IonicContact OE1-NZ 2.7Å; E210-K212 WeakPolarHBondContact OE2-CE 3.49Å; E210-K212 IonicContact OE2-NZ 3.42Å; K212-D214 PolarHBondContact O-N 2.75Å; K212-E215 CarbonylContact C-O 3.5Å; K212-E215 PolarHBondContact N-O 3.34Å; K212-E215 WeakPolarHBondContact O-CG 3.46Å; K212-E215 PolarHBondContact O-N 3.42Å; K212-I217 HydrophobicContact CB-CG1 4.32Å; K212-I217 HydrophobicContact CD-CD1 4.46Å; K212-I217 HydrophobicContact CD-CG1 3.61Å; K212-I217 HydrophobicContact CG-CG1 3.93Å
213	G	95.7	Very high	98.1	Very high	64 Å²	64	53.4 Å²	53.4	66%	0.66	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-117.1	-176	0	0	0	0	0	111.6
214	D	96	Very high	98.2	Very high	111 Å²	111	57.7 Å²	57.7	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	7.1	-177.6	-73.2	-32	0	0	0	114.4	K212 K292	K212-D214 PolarHBondContact O-N 2.75Å; D214-K292 HydrophobicContact CB-CD 4.19Å; D214-K292 WeakPolarHBondContact O-CB 3.4Å; D214-K292 WeakPolarHBondContact O-CG 3.27Å; D214-K292 PolarHBondContact O-N 3.25Å; D214-K292 WeakPolarHBondContact OD1-CE 2.98Å; D214-K292 IonicContact OD1-NZ 2.68Å; D214-K292 PolarHBondContact OD1-NZ 2.9Å; D214-K292 IonicContact OD2-NZ 3.46Å
215	E	97.7	Very high	98.3	Very high	63 Å²	63	57.3 Å²	57.3	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	166.3	178.4	60	-177.6	-166.2	0	0	112.2	K212 I217 K289 V290	K212-E215 CarbonylContact C-O 3.5Å; K212-E215 PolarHBondContact N-O 3.34Å; K212-E215 WeakPolarHBondContact O-CG 3.46Å; K212-E215 PolarHBondContact O-N 3.42Å; E215-I217 HydrophobicContact CG-CD1 4.45Å; E215-K289 IonicContact OE1-NZ 3.76Å; E215-V290 CarbonylContact C-O 3.57Å; E215-V290 WeakPolarHBondContact CA-O 3.1Å
216	Y	98.8	Very high	98.3	Very high	7 Å²	7	58.7 Å²	58.7	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.4	169.6	-70	-105.6	0	0	0	108.8	A209 E210 K211 F255 K289 V290 K292 V295 D299	A209-Y216 HydrophobicContact CB-CD1 4.19Å; E210-Y216 CarbonylContact O-C 3.57Å; E210-Y216 VanDerWaalsContact O-CA 3.29Å; E210-Y216 WeakPolarHBondContact O-CA 3.44Å; K211-Y216 HydrophobicContact CB-CD1 4.04Å; K211-Y216 HydrophobicContact CB-CE1 3.72Å; K211-Y216 HydrophobicContact CD-CE1 4.3Å; K211-Y216 HydrophobicContact CD-CE2 4.46Å; K211-Y216 WeakPolarHBondContact CD-OH 3.48Å; K211-Y216 WeakPolarHBondContact CE-OH 3.15Å; K211-Y216 HydrophobicContact CG-CE1 4.02Å; K211-Y216 HydrophobicContact CG-CE2 4.14Å; K211-Y216 PolarHBondContact NZ-OH 3.24Å; Y216-F255 AromaticContact CD1-CE1 3.85Å; Y216-F255 HydrophobicContact CD1-CE1 3.85Å; Y216-F255 AromaticContact CD1-CZ 3.78Å; Y216-F255 HydrophobicContact CD1-CZ 3.78Å; Y216-F255 AromaticContact CD2-CE1 3.84Å; Y216-F255 HydrophobicContact CD2-CE1 3.84Å; Y216-F255 HydrophobicContact CE1-CE1 4.36Å; Y216-F255 HydrophobicContact CE1-CZ 4.24Å; Y216-F255 HydrophobicContact CE2-CE1 4.39Å; Y216-F255 AromaticContact CG-CE1 3.57Å; Y216-F255 HydrophobicContact CG-CE1 3.57Å; Y216-F255 AromaticContact CG-CZ 3.98Å; Y216-F255 HydrophobicContact CG-CZ 3.98Å; Y216-K289 WeakPolarHBondContact O-CA 3.36Å; Y216-V290 PolarHBondContact N-O 3.2Å; Y216-V290 PolarHBondContact O-N 2.7Å; Y216-K292 HydrophobicContact CE2-CB 4.34Å; Y216-V295 HydrophobicContact CD2-CG2 4.06Å; Y216-V295 HydrophobicContact CE2-CG2 3.65Å; Y216-D299 VanDerWaalsContact CZ-OD1 3.29Å; Y216-D299 PolarHBondContact OH-OD1 2.87Å; Y216-D299 PolarHBondContact OH-OD2 3.12Å
217	I	98.8	Very high	98.3	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.056	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.8	171.8	-49.7	-54.8	0	0	0	108.1	A209 E210 K212 E215 D287 V288 K289	A209-I217 WeakPolarHBondContact CA-O 3.3Å; E210-I217 PolarHBondContact N-O 2.99Å; E210-I217 PolarHBondContact O-N 3.06Å; K212-I217 HydrophobicContact CB-CG1 4.32Å; K212-I217 HydrophobicContact CD-CD1 4.46Å; K212-I217 HydrophobicContact CD-CG1 3.61Å; K212-I217 HydrophobicContact CG-CG1 3.93Å; E215-I217 HydrophobicContact CG-CD1 4.45Å; I217-D287 HydrophobicContact CG2-CB 4.18Å; I217-V288 WeakPolarHBondContact CA-O 3.24Å; I217-K289 HydrophobicContact CD1-CG 3.76Å
218	I	98.9	Very high	98.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.1	-178.9	-54.5	-56	0	0	0	109.6	T207 K208 A209 L236 A238 F255 F285 D287 V288 V290	T207-I218 HydrophobicContact CG2-CG2 3.82Å; K208-I218 VanDerWaalsContact O-CA 3.31Å; K208-I218 WeakPolarHBondContact O-CA 3.22Å; A209-I218 HydrophobicContact CB-CD1 3.38Å; I218-L236 HydrophobicContact CB-CD2 4.46Å; I218-L236 HydrophobicContact CG1-CD2 4.21Å; I218-L236 HydrophobicContact CG2-CD2 3.54Å; I218-A238 HydrophobicContact CD1-CB 4.43Å; I218-F255 HydrophobicContact CD1-CD2 4.36Å; I218-F255 HydrophobicContact CD1-CE2 4.16Å; I218-F255 HydrophobicContact CD1-CZ 4.24Å; I218-F285 HydrophobicContact CG2-CB 3.87Å; I218-F285 HydrophobicContact CG2-CD1 4.33Å; I218-F285 HydrophobicContact CG2-CG 4.17Å; I218-D287 PolarHBondContact O-N 3.13Å; I218-V288 HydrophobicContact CB-CB 4.18Å; I218-V288 PolarHBondContact N-O 3.26Å; I218-V288 PolarHBondContact O-N 3.38Å; I218-V288 VanDerWaalsContact O-N 3.09Å; I218-V290 HydrophobicContact CG1-CG2 3.7Å
219	N	98.9	Very high	98.3	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.9	174.7	-84.2	-72	0	0	0	111.1	T207 K208 F285 D287	T207-N219 CarbonylContact C-O 3.57Å; T207-N219 WeakPolarHBondContact CA-O 3.46Å; K208-N219 PolarHBondContact N-O 2.84Å; K208-N219 PolarHBondContact O-N 2.85Å; N219-F285 CarbonylContact C-O 3.6Å; N219-F285 VanDerWaalsContact CA-O 3.3Å; N219-F285 WeakPolarHBondContact CA-O 3.35Å; N219-D287 PolarHBondContact ND2-OD1 3.17Å; N219-D287 PolarHBondContact OD1-N 2.91Å
220	G	98.7	Very high	98.3	Very high	24 Å²	24	50.3 Å²	50.3	25%	0.247	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-170.3	176.9	0	0	0	0	0	114	F285	G220-F285 PolarHBondContact N-O 2.9Å; G220-F285 PolarHBondContact O-N 3.28Å
221	Q	98.8	Very high	98.3	Very high	90 Å²	90	45.6 Å²	45.6	42%	0.421	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.6	179.7	-176.3	178.4	16	0	0	110.2	E195 P196 I283 V284	E195-Q221 VanDerWaalsContact CG-O 3.31Å; E195-Q221 WeakPolarHBondContact CG-O 3.45Å; P196-Q221 HydrophobicContact CG-CG 4.13Å; Q221-I283 WeakPolarHBondContact CA-O 3.44Å; Q221-V284 HydrophobicContact CB-CG2 4.28Å; Q221-V284 HydrophobicContact CG-CG2 3.82Å
222	K	98.9	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.6	172.9	-61.7	-67.9	179.2	-163.7	0	110	C192 V193 T194 E195 T207 I225 L236 L237 G282 I283 F285	C192-K222 HydrophobicContact CB-CB 4.46Å; C192-K222 HydrophobicContact CB-CD 4.45Å; C192-K222 HydrophobicContact CB-CG 4.04Å; V193-K222 WeakPolarHBondContact O-CD 3.45Å; V193-K222 PolarHBondContact O-NZ 3.15Å; T194-K222 CarbonylContact O-C 3.55Å; T194-K222 VanDerWaalsContact O-CA 3.26Å; T194-K222 WeakPolarHBondContact O-CA 3.33Å; T194-K222 WeakPolarHBondContact O-CD 3.25Å; E195-K222 HydrophobicContact CG-CD 3.92Å; E195-K222 IonicContact OE1-NZ 3.7Å; E195-K222 PolarHBondContact OE1-NZ 3.49Å; T207-K222 WeakPolarHBondContact OG1-CE 3.46Å; T207-K222 PolarHBondContact OG1-NZ 3.43Å; K222-I225 HydrophobicContact CB-CD1 4.07Å; K222-I225 HydrophobicContact CB-CG1 4.01Å; K222-L236 HydrophobicContact CD-CD1 4.21Å; K222-L236 VanDerWaalsContact CE-CD1 3.49Å; K222-L236 HydrophobicContact CG-CD1 3.89Å; K222-L237 WeakPolarHBondContact CE-O 3.49Å; K222-L237 PolarHBondContact NZ-O 3.5Å; K222-G282 CarbonylContact O-C 3.53Å; K222-G282 VanDerWaalsContact O-CA 3.32Å; K222-G282 WeakPolarHBondContact O-CA 3.45Å; K222-I283 PolarHBondContact N-O 2.92Å; K222-I283 PolarHBondContact O-N 3.27Å; K222-F285 HydrophobicContact CB-CE2 4.13Å; K222-F285 HydrophobicContact CG-CD2 4.3Å; K222-F285 HydrophobicContact CG-CE2 3.68Å
223	M	98.8	Very high	98.4	Very high	26 Å²	26	36.6 Å²	36.6	13%	0.128	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.6	-175.3	-168.2	58.2	-174.7	0	0	111.4	T194 P196 I225 E270 G282	T194-M223 WeakPolarHBondContact CB-O 3.37Å; T194-M223 PolarHBondContact O-N 3.41Å; P196-M223 HydrophobicContact CG-CB 4.04Å; M223-I225 WeakPolarHBondContact O-CD1 3.29Å; M223-E270 HydrophobicContact CE-CG 3.89Å; M223-G282 VanDerWaalsContact SD-CA 3.59Å
224	W	98.8	Very high	98.6	Very high	127 Å²	127	33.6 Å²	33.6	48%	0.481	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65.1	37.6	-179.3	-48	115.9	0	0	0	113.6	T226 E270 T280 R281	W224-T226 PolarHBondContact O-N 3.35Å; W224-E270 HydrophobicContact CE3-CG 4.43Å; W224-E270 HydrophobicContact CZ3-CB 3.9Å; W224-E270 HydrophobicContact CZ3-CG 3.85Å; W224-T280 HydrophobicContact CB-CG2 4.35Å; W224-T280 HydrophobicContact CE3-CG2 4.1Å; W224-R281 PolarHBondContact N-O 3.25Å
225	I	98.9	Very high	98.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	106.9	-176.5	-52.7	-46.6	0	0	0	109.9	A190 C192 K222 M223 G228 T280 R281 I283	A190-I225 HydrophobicContact CB-CG2 3.85Å; C192-I225 HydrophobicContact CB-CD1 4.41Å; K222-I225 HydrophobicContact CB-CD1 4.07Å; K222-I225 HydrophobicContact CB-CG1 4.01Å; M223-I225 WeakPolarHBondContact O-CD1 3.29Å; I225-G228 WeakPolarHBondContact O-CA 3.18Å; I225-G228 PolarHBondContact O-N 2.87Å; I225-T280 WeakPolarHBondContact O-CA 3.49Å; I225-R281 PolarHBondContact N-O 3.46Å; I225-R281 PolarHBondContact O-N 3.36Å; I225-R281 VanDerWaalsContact O-N 3.15Å; I225-I283 HydrophobicContact CB-CD1 4.07Å; I225-I283 HydrophobicContact CG1-CD1 4.19Å; I225-I283 HydrophobicContact CG1-CG1 4.4Å; I225-I283 HydrophobicContact CG2-CD1 3.95Å
226	T	98.9	Very high	98.8	Very high	30 Å²	30	25.3 Å²	25.3	18%	0.184	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	137.4	169.6	-59.6	0	0	0	0	110.2	T154 A190 W224 G228 D279	T154-T226 HydrophobicContact CG2-CG2 4.03Å; A190-T226 WeakPolarHBondContact CB-O 3.37Å; W224-T226 PolarHBondContact O-N 3.35Å; T226-G228 PolarHBondContact O-N 3.35Å; T226-D279 CarbonylContact C-O 3.56Å; T226-D279 VanDerWaalsContact CA-O 3.27Å; T226-D279 WeakPolarHBondContact CA-O 3.49Å
227	N	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	16.1	-171.6	-60.7	-26.7	0	0	0	114	Y73 A155 M188 C189 A190 G229 K230 A231 D279	Y73-N227 PolarHBondContact OH-OD1 3.48Å; A155-N227 PolarHBondContact O-ND2 2.94Å; M188-N227 HydrophobicContact CB-CB 4.5Å; C189-N227 PolarHBondContact O-ND2 3.44Å; A190-N227 HydrophobicContact CB-CB 4.26Å; N227-G229 VanDerWaalsContact C-N 3.26Å; N227-G229 PolarHBondContact O-N 2.62Å; N227-G229 VanDerWaalsContact O-N 3.13Å; N227-K230 CarbonylContact O-C 3.55Å; N227-K230 PolarHBondContact O-N 3.08Å; N227-A231 WeakPolarHBondContact O-CB 3.35Å; N227-A231 PolarHBondContact O-N 3.49Å; N227-D279 PolarHBondContact N-O 3.3Å
228	G	98.6	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-38.3	-172.9	0	0	0	0	0	114.2	I225 T226 Y234 D279	I225-G228 WeakPolarHBondContact O-CA 3.18Å; I225-G228 PolarHBondContact O-N 2.87Å; T226-G228 PolarHBondContact O-N 3.35Å; G228-Y234 PolarHBondContact O-OH 3.12Å; G228-D279 PolarHBondContact N-OD2 3.04Å
229	G	98.4	Very high	98.8	Very high	25 Å²	25	26.2 Å²	26.2	26%	0.258	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	11.7	177	0	0	0	0	0	115.4	N227 D279	N227-G229 VanDerWaalsContact C-N 3.26Å; N227-G229 PolarHBondContact O-N 2.62Å; N227-G229 VanDerWaalsContact O-N 3.13Å; G229-D279 WeakPolarHBondContact CA-OD2 3.25Å; G229-D279 PolarHBondContact N-OD2 2.88Å
230	K	98.8	Very high	98.8	Very high	92 Å²	92	24.9 Å²	24.9	40%	0.4	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-18.6	-176.1	-57.8	-64.5	174.1	-170.1	0	113.1	Y73 M188 N227 D279	Y73-K230 HydrophobicContact CD1-CD 3.78Å; Y73-K230 HydrophobicContact CD1-CG 3.84Å; Y73-K230 HydrophobicContact CD2-CG 4.19Å; Y73-K230 HydrophobicContact CE1-CB 3.97Å; Y73-K230 HydrophobicContact CE1-CD 3.97Å; Y73-K230 HydrophobicContact CE1-CG 3.63Å; Y73-K230 HydrophobicContact CE2-CG 4Å; Y73-K230 HydrophobicContact CG-CD 4.18Å; Y73-K230 HydrophobicContact CG-CG 4.1Å; M188-K230 HydrophobicContact CB-CB 4.48Å; M188-K230 HydrophobicContact CG-CB 4.46Å; N227-K230 CarbonylContact O-C 3.55Å; N227-K230 PolarHBondContact O-N 3.08Å; K230-D279 HydrophobicContact CG-CB 3.92Å
231	A	98.8	Very high	98.7	Very high	11 Å²	11	26.2 Å²	26.2	9%	0.091	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.8	-179.7	0	0	0	0	0	112.4	M188 A190 N227 Y234 A259	M188-A231 CarbonylContact O-C 3.57Å; M188-A231 WeakPolarHBondContact O-CA 3.23Å; A190-A231 HydrophobicContact CB-CB 3.74Å; N227-A231 WeakPolarHBondContact O-CB 3.35Å; N227-A231 PolarHBondContact O-N 3.49Å; A231-Y234 HydrophobicContact CB-CD1 4.05Å; A231-Y234 HydrophobicContact CB-CE1 3.56Å; A231-A259 WeakPolarHBondContact O-CB 3.41Å
232	S	98.6	Very high	98.6	Very high	28 Å²	28	27.7 Å²	27.7	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-29.9	169.1	59.9	0	0	0	0	111.9	M188 A259	M188-S232 PolarHBondContact O-N 2.82Å; M188-S232 PolarHBondContact O-OG 3.25Å; S232-A259 VanDerWaalsContact O-CB 3.29Å; S232-A259 WeakPolarHBondContact O-CB 3.33Å; S232-A259 PolarHBondContact O-N 2.68Å
233	W	98.9	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	160.9	174.3	57.2	-94	0	0	0	110.9	G162 E163 I166 Y178 M182 C189 A190 I256 V257	G162-W233 WeakPolarHBondContact O-CH2 3.27Å; G162-W233 WeakPolarHBondContact O-CZ3 3.29Å; E163-W233 HydrophobicContact CG-CH2 4.1Å; E163-W233 HydrophobicContact CG-CZ2 4.17Å; I166-W233 HydrophobicContact CD1-CE3 4.11Å; I166-W233 HydrophobicContact CD1-CH2 3.46Å; I166-W233 VanDerWaalsContact CD1-CH2 3.46Å; I166-W233 HydrophobicContact CD1-CZ2 4.09Å; I166-W233 HydrophobicContact CD1-CZ3 3.47Å; I166-W233 VanDerWaalsContact CD1-CZ3 3.47Å; I166-W233 HydrophobicContact CG1-CH2 4.45Å; I166-W233 HydrophobicContact CG1-CZ3 4.41Å; Y178-W233 HydrophobicContact CD1-CB 4.38Å; Y178-W233 HydrophobicContact CD1-CD2 4.32Å; Y178-W233 HydrophobicContact CD1-CG 4.03Å; Y178-W233 PolarHBondContact O-NE1 3.23Å; M182-W233 HydrophobicContact CE-CZ2 4.43Å; M182-W233 HydrophobicContact CG-CZ2 4.25Å; M182-W233 HydrophobicContact SD-CZ2 4.09Å; M182-W233 PolarHBondContact SD-NE1 2.9Å; C189-W233 WeakPolarHBondContact CA-O 3.46Å; C189-W233 HydrophobicContact CB-CD2 3.65Å; C189-W233 VanDerWaalsContact CB-CE2 3.41Å; C189-W233 HydrophobicContact CB-CE3 3.85Å; C189-W233 HydrophobicContact CB-CG 4.35Å; C189-W233 HydrophobicContact CB-CH2 3.59Å; C189-W233 HydrophobicContact CB-CZ2 3.4Å; C189-W233 HydrophobicContact CB-CZ3 3.82Å; C189-W233 WeakPolarHBondContact CB-O 3.4Å; C189-W233 WeakPolarHBondContact SG-CH2 3.36Å; C189-W233 VanDerWaalsContact SG-CZ2 3.54Å; A190-W233 PolarHBondContact N-O 2.77Å; W233-I256 HydrophobicContact CD2-CG2 4.43Å; W233-I256 HydrophobicContact CE3-CG2 4.02Å; W233-V257 CarbonylContact C-O 3.33Å; W233-V257 VanDerWaalsContact CA-O 3.27Å; W233-V257 WeakPolarHBondContact CA-O 3.42Å
234	Y	98.9	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.5	-178.8	-53.6	-75.4	0	0	0	110.9	A190 C192 G228 A231 I256 V257 A259 I264 I283	A190-Y234 HydrophobicContact CB-CD1 3.65Å; A190-Y234 HydrophobicContact CB-CE1 3.92Å; A190-Y234 CarbonylContact O-C 3.55Å; A190-Y234 VanDerWaalsContact O-CA 3.3Å; A190-Y234 WeakPolarHBondContact O-CA 3.44Å; C192-Y234 VanDerWaalsContact SG-CD1 3.55Å; G228-Y234 PolarHBondContact O-OH 3.12Å; A231-Y234 HydrophobicContact CB-CD1 4.05Å; A231-Y234 HydrophobicContact CB-CE1 3.56Å; Y234-I256 CarbonylContact O-C 3.52Å; Y234-I256 WeakPolarHBondContact O-CA 3.42Å; Y234-V257 PolarHBondContact N-O 2.98Å; Y234-V257 PolarHBondContact O-N 3.27Å; Y234-A259 HydrophobicContact CD2-CB 4.25Å; Y234-A259 HydrophobicContact CE2-CB 3.49Å; Y234-A259 VanDerWaalsContact CE2-CB 3.49Å; Y234-I264 HydrophobicContact CE2-CD1 4.35Å; Y234-I283 HydrophobicContact CD1-CD1 4.26Å; Y234-I283 HydrophobicContact CE1-CD1 3.61Å
235	F	98.9	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.1	148	166.7	-93.9	0	0	0	108.2	P165 A190 Y191 C192 V193 L237 F255 L296 I305	P165-F235 HydrophobicContact CB-CD2 3.37Å; P165-F235 HydrophobicContact CB-CE2 3.59Å; P165-F235 HydrophobicContact CB-CG 3.96Å; P165-F235 HydrophobicContact CB-CZ 4.35Å; P165-F235 HydrophobicContact CG-CB 4.24Å; P165-F235 HydrophobicContact CG-CD1 4.09Å; P165-F235 HydrophobicContact CG-CD2 3.62Å; P165-F235 HydrophobicContact CG-CE1 4.33Å; P165-F235 HydrophobicContact CG-CE2 3.9Å; P165-F235 HydrophobicContact CG-CG 3.7Å; P165-F235 HydrophobicContact CG-CZ 4.24Å; A190-F235 PolarHBondContact O-N 2.84Å; Y191-F235 HydrophobicContact CD2-CB 4.22Å; Y191-F235 AromaticContact CD2-CD1 3.12Å; Y191-F235 HydrophobicContact CD2-CD1 3.12Å; Y191-F235 AromaticContact CD2-CE1 3.66Å; Y191-F235 HydrophobicContact CD2-CE1 3.66Å; Y191-F235 AromaticContact CD2-CG 3.91Å; Y191-F235 HydrophobicContact CD2-CG 3.91Å; Y191-F235 AromaticContact CE2-CD1 3.17Å; Y191-F235 HydrophobicContact CE2-CD1 3.17Å; Y191-F235 AromaticContact CE2-CE1 3.14Å; Y191-F235 HydrophobicContact CE2-CE1 3.14Å; Y191-F235 HydrophobicContact CE2-CG 4.14Å; Y191-F235 HydrophobicContact CE2-CZ 4.09Å; Y191-F235 AromaticContact CG-CD1 3.92Å; Y191-F235 HydrophobicContact CG-CD1 3.92Å; Y191-F235 AromaticContact CZ-CE1 3.7Å; C192-F235 WeakPolarHBondContact CA-O 3.37Å; C192-F235 VanDerWaalsContact CB-O 3.26Å; C192-F235 WeakPolarHBondContact CB-O 3.45Å; C192-F235 PolarHBondContact N-O 3.17Å; V193-F235 HydrophobicContact CG2-CD1 4.47Å; V193-F235 HydrophobicContact CG2-CE1 3.84Å; F235-L237 HydrophobicContact CE1-CB 4.17Å; F235-L237 HydrophobicContact CZ-CB 4.3Å; F235-F255 CarbonylContact C-O 3.59Å; F235-F255 WeakPolarHBondContact CA-O 3.36Å; F235-L296 HydrophobicContact CD2-CD1 3.74Å; F235-L296 HydrophobicContact CE2-CD1 3.84Å; F235-I305 HydrophobicContact CE2-CG2 4.21Å
236	L	98.9	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.8	177.8	179.2	74.3	0	0	0	110.8	C192 I218 K222 G254 F255 V257 F285	C192-L236 HydrophobicContact CB-CB 4.42Å; C192-L236 HydrophobicContact CB-CD1 3.59Å; I218-L236 HydrophobicContact CB-CD2 4.46Å; I218-L236 HydrophobicContact CG1-CD2 4.21Å; I218-L236 HydrophobicContact CG2-CD2 3.54Å; K222-L236 HydrophobicContact CD-CD1 4.21Å; K222-L236 VanDerWaalsContact CE-CD1 3.49Å; K222-L236 HydrophobicContact CG-CD1 3.89Å; L236-G254 WeakPolarHBondContact O-CA 3.34Å; L236-F255 HydrophobicContact CB-CB 4.4Å; L236-F255 PolarHBondContact N-O 3.13Å; L236-F255 PolarHBondContact O-N 3.22Å; L236-V257 HydrophobicContact CB-CG2 3.86Å; L236-V257 HydrophobicContact CD2-CG2 3.99Å; L236-F285 HydrophobicContact CD1-CE1 4.46Å; L236-F285 HydrophobicContact CD1-CE2 4.03Å; L236-F285 HydrophobicContact CD1-CZ 3.94Å; L236-F285 HydrophobicContact CD2-CD1 4.45Å; L236-F285 HydrophobicContact CD2-CE1 4.31Å
237	L	98.9	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.7	167.8	-169.6	69.8	0	0	0	110.2	C192 V193 V202 I205 K222 F235 F252 G302 A306	C192-L237 PolarHBondContact O-N 3.29Å; V193-L237 HydrophobicContact CG1-CD2 4.17Å; V193-L237 HydrophobicContact CG2-CB 3.73Å; V193-L237 HydrophobicContact CG2-CD2 4.26Å; V202-L237 HydrophobicContact CG1-CD2 3.75Å; I205-L237 HydrophobicContact CD1-CB 4.21Å; I205-L237 HydrophobicContact CD1-CD2 3.83Å; I205-L237 HydrophobicContact CD1-CG 3.8Å; I205-L237 WeakPolarHBondContact CD1-O 3.43Å; K222-L237 WeakPolarHBondContact CE-O 3.49Å; K222-L237 PolarHBondContact NZ-O 3.5Å; F235-L237 HydrophobicContact CE1-CB 4.17Å; F235-L237 HydrophobicContact CZ-CB 4.3Å; L237-F252 HydrophobicContact CD1-CB 3.81Å; L237-F252 HydrophobicContact CG-CB 4.22Å; L237-G302 VanDerWaalsContact CD1-C 3.41Å; L237-G302 WeakPolarHBondContact CD1-O 3.45Å; L237-A306 HydrophobicContact CD2-CB 4.1Å
238	A	98.8	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.3	178.1	0	0	0	0	0	111.2	T207 A209 I218 S240 F252 T253 F255	T207-A238 HydrophobicContact CG2-CB 3.94Å; T207-A238 CarbonylContact O-C 3.58Å; T207-A238 WeakPolarHBondContact O-CA 3.48Å; A209-A238 HydrophobicContact CB-CB 3.87Å; I218-A238 HydrophobicContact CD1-CB 4.43Å; A238-S240 PolarHBondContact O-N 2.85Å; A238-F252 CarbonylContact O-C 3.53Å; A238-F252 VanDerWaalsContact O-CA 3.31Å; A238-F252 WeakPolarHBondContact O-CA 3.26Å; A238-T253 PolarHBondContact N-O 2.91Å; A238-T253 VanDerWaalsContact N-O 3.15Å; A238-T253 PolarHBondContact O-N 2.75Å; A238-F255 HydrophobicContact CB-CD2 4.4Å; A238-F255 HydrophobicContact CB-CE2 4.1Å
239	R	98.7	Very high	97.3	Very high	38 Å²	38	46.9 Å²	46.9	14%	0.143	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	114.9	175.3	-170.2	-179.7	-174.1	103	2.5	109.3	T207 K208 A209 D241 D243 A251 F252	T207-R239 PolarHBondContact O-N 3.47Å; K208-R239 CarbonylContact C-O 3.49Å; K208-R239 WeakPolarHBondContact CA-O 3.37Å; A209-R239 PolarHBondContact N-O 3.12Å; R239-D241 WeakPolarHBondContact CG-O 3.38Å; R239-D241 PolarHBondContact NE-O 2.99Å; R239-D243 PolarHBondContact NH2-O 3.34Å; R239-A251 WeakPolarHBondContact CA-O 3.36Å; R239-A251 WeakPolarHBondContact CG-O 3.33Å; R239-F252 HydrophobicContact CB-CD1 3.91Å; R239-F252 HydrophobicContact CB-CE1 3.88Å; R239-F252 HydrophobicContact CG-CD1 4.27Å; R239-F252 HydrophobicContact CG-CE1 4.04Å
240	S	98.2	Very high	97.2	Very high	28 Å²	28	52.2 Å²	52.2	20%	0.196	29%	0.286	C	S	.	.			trans	-101.4	-22.4	178.9	53.9	0	0	0	0	112.9	A238 A251 T253	A238-S240 PolarHBondContact O-N 2.85Å; S240-A251 PolarHBondContact N-O 2.84Å; S240-T253 WeakPolarHBondContact CB-OG1 3.2Å; S240-T253 PolarHBondContact OG-OG1 3.09Å
241	D	97.8	Very high	97.1	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	27%	0.267	S	S	.	.			trans	-92.8	115.4	173.5	-164.8	-31.5	0	0	0	110.3	R239 D243 A246 A251	R239-D241 WeakPolarHBondContact CG-O 3.38Å; R239-D241 PolarHBondContact NE-O 2.99Å; D241-D243 VanDerWaalsContact C-N 3.27Å; D241-D243 PolarHBondContact O-N 2.9Å; D241-D243 WeakPolarHBondContact OD1-CB 3.18Å; D241-D243 PolarHBondContact OD1-N 2.86Å; D241-A246 HydrophobicContact CB-CB 3.93Å; D241-A246 VanDerWaalsContact CG-CB 3.48Å; D241-A246 VanDerWaalsContact OD2-CB 3.31Å; D241-A246 WeakPolarHBondContact OD2-CB 3.34Å; D241-A251 HydrophobicContact CB-CB 4.29Å; D241-A251 PolarHBondContact N-O 2.8Å; D241-A251 VanDerWaalsContact N-O 3.14Å
242	P	95.4	Very high	97.1	Very high	120 Å²	120	47.4 Å²	47.4	78%	0.779	26%	0.263	S	S	*	.			trans	-72.4	-17.4	179.8	31.2	-35.6	0	0	0	113.2	P244	P242-P244 VanDerWaalsContact O-CD 3.32Å; P242-P244 WeakPolarHBondContact O-CD 3.27Å
243	D	96.5	Very high	97.1	Very high	75 Å²	75	46 Å²	46	40%	0.401	25%	0.253	S	S	.	.			trans	-66.5	117.1	180	179.7	1.4	0	0	0	109.7	R239 D241 K245 A246	R239-D243 PolarHBondContact NH2-O 3.34Å; D241-D243 VanDerWaalsContact C-N 3.27Å; D241-D243 PolarHBondContact O-N 2.9Å; D241-D243 WeakPolarHBondContact OD1-CB 3.18Å; D241-D243 PolarHBondContact OD1-N 2.86Å; D243-K245 PolarHBondContact O-N 3.16Å; D243-K245 VanDerWaalsContact O-N 3.11Å; D243-K245 WeakPolarHBondContact OD1-CB 3.44Å; D243-K245 PolarHBondContact OD1-N 2.87Å; D243-A246 HydrophobicContact CB-CB 4.28Å; D243-A246 VanDerWaalsContact O-CB 3.27Å; D243-A246 WeakPolarHBondContact O-CB 3.21Å; D243-A246 PolarHBondContact O-N 3.05Å
244	P	91.4	Very high	97.1	Very high	115 Å²	115	46 Å²	46	75%	0.747	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.6	177.8	26	-35.6	0	0	0	113.5	P242	P242-P244 VanDerWaalsContact O-CD 3.32Å; P242-P244 WeakPolarHBondContact O-CD 3.27Å
245	K	94.9	Very high	97.1	Very high	183 Å²	183	46 Å²	46	80%	0.796	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.8	178.6	-60.3	178.4	-179.1	175.9	0	113.4	D243	D243-K245 PolarHBondContact O-N 3.16Å; D243-K245 VanDerWaalsContact O-N 3.11Å; D243-K245 WeakPolarHBondContact OD1-CB 3.44Å; D243-K245 PolarHBondContact OD1-N 2.87Å
246	A	97	Very high	97.1	Very high	14 Å²	14	46 Å²	46	12%	0.116	25%	0.253	C	S	.	.	S	Bend	trans	-57	129.7	177.8	0	0	0	0	0	110.4	D241 D243 A251	D241-A246 HydrophobicContact CB-CB 3.93Å; D241-A246 VanDerWaalsContact CG-CB 3.48Å; D241-A246 VanDerWaalsContact OD2-CB 3.31Å; D241-A246 WeakPolarHBondContact OD2-CB 3.34Å; D243-A246 HydrophobicContact CB-CB 4.28Å; D243-A246 VanDerWaalsContact O-CB 3.27Å; D243-A246 WeakPolarHBondContact O-CB 3.21Å; D243-A246 PolarHBondContact O-N 3.05Å; A246-A251 HydrophobicContact CB-CB 3.91Å
247	P	96.4	Very high	97.1	Very high	70 Å²	70	46.1 Å²	46.1	46%	0.455	25%	0.254	S	S	.	.			trans	-66.5	147.8	-179.2	29.5	-35.5	0	0	0	110.2	N249 K250 A251	P247-N249 WeakPolarHBondContact CB-OD1 3.24Å; P247-N249 WeakPolarHBondContact CG-OD1 3.36Å; P247-N249 PolarHBondContact O-N 3.2Å; P247-K250 HydrophobicContact CG-CB 4.2Å; P247-K250 HydrophobicContact CG-CD 4.13Å; P247-K250 HydrophobicContact CG-CG 4.22Å; P247-K250 PolarHBondContact O-N 2.75Å; P247-A251 PolarHBondContact O-N 2.78Å
248	A	94.3	Very high	97.1	Very high	32 Å²	32	47.9 Å²	47.9	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-55.7	-33.1	-173.8	0	0	0	0	0	113.4	A203 K250 F252 F303	A203-A248 HydrophobicContact CB-CB 4.09Å; A248-K250 PolarHBondContact O-N 3.26Å; A248-K250 VanDerWaalsContact O-N 3.17Å; A248-F252 HydrophobicContact CB-CE2 4.21Å; A248-F252 VanDerWaalsContact O-CD2 3.28Å; A248-F252 WeakPolarHBondContact O-CD2 3.47Å; A248-F303 HydrophobicContact CB-CD1 4.35Å; A248-F303 HydrophobicContact CB-CD2 4.16Å; A248-F303 HydrophobicContact CB-CE1 4.32Å; A248-F303 HydrophobicContact CB-CE2 4.13Å; A248-F303 HydrophobicContact CB-CG 4.28Å; A248-F303 HydrophobicContact CB-CZ 4.21Å; A248-F303 WeakPolarHBondContact O-CB 3.33Å
249	N	93.9	Very high	97.1	Very high	102 Å²	102	48.8 Å²	48.8	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-73.3	1.1	177.8	68.5	-17.4	0	0	0	115.2	P247 G300	P247-N249 WeakPolarHBondContact CB-OD1 3.24Å; P247-N249 WeakPolarHBondContact CG-OD1 3.36Å; P247-N249 PolarHBondContact O-N 3.2Å; N249-G300 CarbonylContact C-O 3.54Å
250	K	96.7	Very high	97.1	Very high	137 Å²	137	53.5 Å²	53.5	60%	0.596	30%	0.298	S	S	*	.	H	α-helix	trans	-131.5	-15.5	176.1	-63.7	-174.7	179.3	-176.3	0	113.7	P247 A248 F252 G300	P247-K250 HydrophobicContact CG-CB 4.2Å; P247-K250 HydrophobicContact CG-CD 4.13Å; P247-K250 HydrophobicContact CG-CG 4.22Å; P247-K250 PolarHBondContact O-N 2.75Å; A248-K250 PolarHBondContact O-N 3.26Å; A248-K250 VanDerWaalsContact O-N 3.17Å; K250-F252 PolarHBondContact O-N 2.83Å; K250-G300 WeakPolarHBondContact O-CA 3.31Å
251	A	97.9	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-80.4	-14.8	-170.7	0	0	0	0	0	115	R239 S240 D241 A246 P247	R239-A251 WeakPolarHBondContact CA-O 3.36Å; R239-A251 WeakPolarHBondContact CG-O 3.33Å; S240-A251 PolarHBondContact N-O 2.84Å; D241-A251 HydrophobicContact CB-CB 4.29Å; D241-A251 PolarHBondContact N-O 2.8Å; D241-A251 VanDerWaalsContact N-O 3.14Å; A246-A251 HydrophobicContact CB-CB 3.91Å; P247-A251 PolarHBondContact O-N 2.78Å
252	F	98.6	Very high	97.2	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.7	-169.1	-53	-81.6	0	0	0	112.7	A203 I205 L237 A238 R239 A248 K250 G300 A301 G302 F303	A203-F252 HydrophobicContact CB-CE2 4.43Å; A203-F252 HydrophobicContact CB-CZ 4.5Å; A203-F252 WeakPolarHBondContact O-CZ 3.43Å; I205-F252 HydrophobicContact CD1-CD1 3.79Å; I205-F252 HydrophobicContact CD1-CE1 3.92Å; I205-F252 HydrophobicContact CG1-CD1 3.82Å; I205-F252 HydrophobicContact CG1-CE1 3.4Å; I205-F252 VanDerWaalsContact CG1-CE1 3.4Å; I205-F252 HydrophobicContact CG1-CZ 4.28Å; L237-F252 HydrophobicContact CD1-CB 3.81Å; L237-F252 HydrophobicContact CG-CB 4.22Å; A238-F252 CarbonylContact O-C 3.53Å; A238-F252 VanDerWaalsContact O-CA 3.31Å; A238-F252 WeakPolarHBondContact O-CA 3.26Å; R239-F252 HydrophobicContact CB-CD1 3.91Å; R239-F252 HydrophobicContact CB-CE1 3.88Å; R239-F252 HydrophobicContact CG-CD1 4.27Å; R239-F252 HydrophobicContact CG-CE1 4.04Å; A248-F252 HydrophobicContact CB-CE2 4.21Å; A248-F252 VanDerWaalsContact O-CD2 3.28Å; A248-F252 WeakPolarHBondContact O-CD2 3.47Å; K250-F252 PolarHBondContact O-N 2.83Å; F252-G300 CarbonylContact O-C 3Å; F252-G300 WeakPolarHBondContact O-CA 3.3Å; F252-G300 PolarHBondContact O-N 2.88Å; F252-A301 PolarHBondContact O-N 2.98Å; F252-G302 WeakPolarHBondContact O-CA 3.49Å; F252-G302 PolarHBondContact O-N 3.09Å; F252-F303 HydrophobicContact CD2-CB 4.06Å; F252-F303 AromaticContact CD2-CD2 3.94Å; F252-F303 HydrophobicContact CD2-CD2 3.94Å; F252-F303 HydrophobicContact CD2-CG 4.41Å; F252-F303 HydrophobicContact CE2-CD2 4.13Å
253	T	98.8	Very high	97.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.3	176.8	-60.8	0	0	0	0	109.6	A238 S240 F255 V295 D299 G300	A238-T253 PolarHBondContact N-O 2.91Å; A238-T253 VanDerWaalsContact N-O 3.15Å; A238-T253 PolarHBondContact O-N 2.75Å; S240-T253 WeakPolarHBondContact CB-OG1 3.2Å; S240-T253 PolarHBondContact OG-OG1 3.09Å; T253-F255 HydrophobicContact CG2-CD2 4.34Å; T253-F255 HydrophobicContact CG2-CE1 3.98Å; T253-F255 HydrophobicContact CG2-CE2 3.66Å; T253-F255 HydrophobicContact CG2-CZ 3.44Å; T253-F255 VanDerWaalsContact CG2-CZ 3.44Å; T253-F255 WeakPolarHBondContact O-CD2 3.31Å; T253-F255 WeakPolarHBondContact O-CE2 3.43Å; T253-V295 HydrophobicContact CG2-CG1 3.57Å; T253-V295 HydrophobicContact CG2-CG2 4.37Å; T253-D299 WeakPolarHBondContact OG1-CA 3.45Å; T253-G300 PolarHBondContact OG1-N 3.25Å
254	G	98.8	Very high	97.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133	176.2	0	0	0	0	0	110.2	L236 L296	L236-G254 WeakPolarHBondContact O-CA 3.34Å; G254-L296 PolarHBondContact O-N 2.78Å
255	F	98.9	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.2	-176.8	-60.2	-91.1	0	0	0	110.8	A209 Y216 I218 F235 L236 A238 T253 V257 V290 N294 V295	A209-F255 HydrophobicContact CB-CE2 3.64Å; A209-F255 HydrophobicContact CB-CZ 3.54Å; Y216-F255 AromaticContact CD1-CE1 3.85Å; Y216-F255 HydrophobicContact CD1-CE1 3.85Å; Y216-F255 AromaticContact CD1-CZ 3.78Å; Y216-F255 HydrophobicContact CD1-CZ 3.78Å; Y216-F255 AromaticContact CD2-CE1 3.84Å; Y216-F255 HydrophobicContact CD2-CE1 3.84Å; Y216-F255 HydrophobicContact CE1-CE1 4.36Å; Y216-F255 HydrophobicContact CE1-CZ 4.24Å; Y216-F255 HydrophobicContact CE2-CE1 4.39Å; Y216-F255 AromaticContact CG-CE1 3.57Å; Y216-F255 HydrophobicContact CG-CE1 3.57Å; Y216-F255 AromaticContact CG-CZ 3.98Å; Y216-F255 HydrophobicContact CG-CZ 3.98Å; I218-F255 HydrophobicContact CD1-CD2 4.36Å; I218-F255 HydrophobicContact CD1-CE2 4.16Å; I218-F255 HydrophobicContact CD1-CZ 4.24Å; F235-F255 CarbonylContact C-O 3.59Å; F235-F255 WeakPolarHBondContact CA-O 3.36Å; L236-F255 HydrophobicContact CB-CB 4.4Å; L236-F255 PolarHBondContact N-O 3.13Å; L236-F255 PolarHBondContact O-N 3.22Å; A238-F255 HydrophobicContact CB-CD2 4.4Å; A238-F255 HydrophobicContact CB-CE2 4.1Å; T253-F255 HydrophobicContact CG2-CD2 4.34Å; T253-F255 HydrophobicContact CG2-CE1 3.98Å; T253-F255 HydrophobicContact CG2-CE2 3.66Å; T253-F255 HydrophobicContact CG2-CZ 3.44Å; T253-F255 VanDerWaalsContact CG2-CZ 3.44Å; T253-F255 WeakPolarHBondContact O-CD2 3.31Å; T253-F255 WeakPolarHBondContact O-CE2 3.43Å; F255-V257 HydrophobicContact CB-CG2 3.99Å; F255-V290 HydrophobicContact CB-CG1 4.34Å; F255-V290 HydrophobicContact CD1-CB 4.48Å; F255-V290 HydrophobicContact CD1-CG1 3.92Å; F255-N294 WeakPolarHBondContact CA-O 3.4Å; F255-V295 HydrophobicContact CD1-CG2 3.89Å; F255-V295 HydrophobicContact CE1-CG2 3.6Å
256	I	98.9	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.6	159.8	-49.8	168	0	0	0	107.8	I166 Q174 Y178 W233 Y234 N294 L296	I166-I256 HydrophobicContact CD1-CD1 3.66Å; I166-I256 HydrophobicContact CD1-CG1 3.9Å; I166-I256 HydrophobicContact CD1-CG2 4.36Å; I166-I256 HydrophobicContact CG1-CD1 3.92Å; I166-I256 HydrophobicContact CG1-CG1 4.1Å; I166-I256 HydrophobicContact CG2-CD1 4.42Å; Q174-I256 HydrophobicContact CB-CD1 4.08Å; Q174-I256 HydrophobicContact CG-CD1 4.16Å; Y178-I256 HydrophobicContact CD1-CG2 3.4Å; Y178-I256 VanDerWaalsContact CD1-CG2 3.4Å; Y178-I256 HydrophobicContact CD2-CB 4.46Å; Y178-I256 HydrophobicContact CD2-CD1 3.41Å; Y178-I256 VanDerWaalsContact CD2-CD1 3.41Å; Y178-I256 HydrophobicContact CD2-CG1 4.49Å; Y178-I256 HydrophobicContact CD2-CG2 3.97Å; Y178-I256 HydrophobicContact CE1-CB 4.35Å; Y178-I256 HydrophobicContact CE1-CG2 3.34Å; Y178-I256 HydrophobicContact CE2-CB 4.2Å; Y178-I256 HydrophobicContact CE2-CD1 3.66Å; Y178-I256 HydrophobicContact CE2-CG2 3.92Å; Y178-I256 HydrophobicContact CG-CD1 4.03Å; Y178-I256 HydrophobicContact CG-CG2 3.75Å; W233-I256 HydrophobicContact CD2-CG2 4.43Å; W233-I256 HydrophobicContact CE3-CG2 4.02Å; Y234-I256 CarbonylContact O-C 3.52Å; Y234-I256 WeakPolarHBondContact O-CA 3.42Å; I256-N294 HydrophobicContact CB-CB 4.37Å; I256-N294 PolarHBondContact N-O 3.39Å; I256-N294 VanDerWaalsContact O-CB 3.26Å; I256-N294 WeakPolarHBondContact O-CB 3.49Å; I256-N294 PolarHBondContact O-ND2 3.45Å; I256-L296 HydrophobicContact CD1-CD2 3.97Å; I256-L296 HydrophobicContact CG1-CD1 4.5Å; I256-L296 HydrophobicContact CG1-CD2 4.16Å; I256-L296 HydrophobicContact CG1-CG 4.25Å
257	V	98.9	Very high	98	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.9	-175.7	-172.1	0	0	0	0	109.3	W233 Y234 L236 F255 I264 F285 V288 V290	W233-V257 CarbonylContact C-O 3.33Å; W233-V257 VanDerWaalsContact CA-O 3.27Å; W233-V257 WeakPolarHBondContact CA-O 3.42Å; Y234-V257 PolarHBondContact N-O 2.98Å; Y234-V257 PolarHBondContact O-N 3.27Å; L236-V257 HydrophobicContact CB-CG2 3.86Å; L236-V257 HydrophobicContact CD2-CG2 3.99Å; F255-V257 HydrophobicContact CB-CG2 3.99Å; V257-I264 HydrophobicContact CG1-CD1 3.75Å; V257-F285 HydrophobicContact CG1-CE1 4.48Å; V257-V288 HydrophobicContact CG1-CG1 4.11Å; V257-V290 HydrophobicContact CG1-CG2 4.17Å; V257-V290 HydrophobicContact CG2-CG1 4.45Å; V257-V290 HydrophobicContact CG2-CG2 3.88Å
258	E	98.8	Very high	98.2	Very high	37 Å²	37	49.6 Å²	49.6	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.5	175.7	-59.3	-76.2	-171.4	0	0	109.5	K177 Y178 R181 D260 T261 I264	K177-E258 IonicContact NZ-OE1 2.78Å; Y178-E258 WeakPolarHBondContact CE1-OE1 3.41Å; R181-E258 IonicContact CZ-OE1 3.47Å; R181-E258 IonicContact CZ-OE2 3.26Å; R181-E258 IonicContact NH1-OE1 3.52Å; R181-E258 PolarHBondContact NH1-OE1 2.94Å; R181-E258 IonicContact NH1-OE2 3.15Å; R181-E258 PolarHBondContact NH1-OE2 3.46Å; R181-E258 IonicContact NH2-OE1 2.84Å; R181-E258 PolarHBondContact NH2-OE1 3.03Å; R181-E258 IonicContact NH2-OE2 3.47Å; E258-D260 VanDerWaalsContact C-N 3.25Å; E258-D260 WeakPolarHBondContact CB-OD1 3.39Å; E258-D260 PolarHBondContact O-N 3.18Å; E258-T261 WeakPolarHBondContact O-CB 3.5Å; E258-T261 PolarHBondContact O-N 3.3Å; E258-T261 PolarHBondContact O-OG1 2.91Å; E258-I264 VanDerWaalsContact O-CD1 3.27Å; E258-I264 WeakPolarHBondContact O-CD1 3.31Å
259	A	98.6	Very high	98.4	Very high	19 Å²	19	50.4 Å²	50.4	16%	0.157	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.6	-171	0	0	0	0	0	114.2	A231 S232 Y234 T261	A231-A259 WeakPolarHBondContact O-CB 3.41Å; S232-A259 VanDerWaalsContact O-CB 3.29Å; S232-A259 WeakPolarHBondContact O-CB 3.33Å; S232-A259 PolarHBondContact O-N 2.68Å; Y234-A259 HydrophobicContact CD2-CB 4.25Å; Y234-A259 HydrophobicContact CE2-CB 3.49Å; Y234-A259 VanDerWaalsContact CE2-CB 3.49Å; A259-T261 VanDerWaalsContact C-N 3.35Å
260	D	98.3	Very high	98.6	Very high	138 Å²	138	47.2 Å²	47.2	74%	0.738	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	4.3	176	65.8	-15.4	0	0	0	113.5	E258 P262	E258-D260 VanDerWaalsContact C-N 3.25Å; E258-D260 WeakPolarHBondContact CB-OD1 3.39Å; E258-D260 PolarHBondContact O-N 3.18Å; D260-P262 WeakPolarHBondContact O-CD 3.43Å
261	T	98.6	Very high	98.7	Very high	25 Å²	25	48.3 Å²	48.3	15%	0.153	26%	0.259	C	S	.	.			trans	-60.4	127.1	178	-50.6	0	0	0	0	110.1	E258 A259 G263 I264 V288 K289	E258-T261 WeakPolarHBondContact O-CB 3.5Å; E258-T261 PolarHBondContact O-N 3.3Å; E258-T261 PolarHBondContact O-OG1 2.91Å; A259-T261 VanDerWaalsContact C-N 3.35Å; T261-G263 PolarHBondContact O-N 3.23Å; T261-I264 WeakPolarHBondContact O-CG1 3.46Å; T261-I264 PolarHBondContact O-N 3.15Å; T261-V288 HydrophobicContact CG2-CG1 3.74Å; T261-K289 WeakPolarHBondContact CG2-O 3.14Å
262	P	98.8	Very high	98.7	Very high	112 Å²	112	51.2 Å²	51.2	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	138.7	176.8	-27.4	35.2	0	0	0	112.5	D260	D260-P262 WeakPolarHBondContact O-CD 3.43Å
263	G	98.5	Very high	98.7	Very high	29 Å²	29	56.3 Å²	56.3	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-12.7	-176.8	0	0	0	0	0	114.4	T261 E286 V288	T261-G263 PolarHBondContact O-N 3.23Å; G263-E286 VanDerWaalsContact CA-O 3.22Å; G263-E286 WeakPolarHBondContact CA-O 3.42Å; G263-E286 PolarHBondContact O-N 2.94Å; G263-V288 WeakPolarHBondContact O-CG2 3.47Å
264	I	98.9	Very high	98.7	Very high	26 Å²	26	56.9 Å²	56.9	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.5	171.6	-61.2	177.5	0	0	0	109.3	Y234 V257 E258 T261 I266 I283 F285 V288	Y234-I264 HydrophobicContact CE2-CD1 4.35Å; V257-I264 HydrophobicContact CG1-CD1 3.75Å; E258-I264 VanDerWaalsContact O-CD1 3.27Å; E258-I264 WeakPolarHBondContact O-CD1 3.31Å; T261-I264 WeakPolarHBondContact O-CG1 3.46Å; T261-I264 PolarHBondContact O-N 3.15Å; I264-I266 HydrophobicContact CG2-CG1 4.21Å; I264-I283 HydrophobicContact CG2-CG2 3.76Å; I264-F285 HydrophobicContact CD1-CD1 4.44Å; I264-F285 HydrophobicContact CD1-CE1 4.12Å; I264-F285 HydrophobicContact CG1-CD1 3.92Å; I264-F285 HydrophobicContact CG1-CE1 4.02Å; I264-V288 HydrophobicContact CD1-CG1 4.36Å; I264-V288 HydrophobicContact CG1-CG1 4.02Å; I264-V288 HydrophobicContact CG1-CG2 3.7Å
265	Q	98.8	Very high	98.7	Very high	95 Å²	95	57.7 Å²	57.7	44%	0.444	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	104.7	177.3	-65	175.1	57.9	0	0	109.4	V284 E286	Q265-V284 HydrophobicContact CB-CB 4.17Å; Q265-V284 PolarHBondContact N-O 3.35Å; Q265-V284 PolarHBondContact O-N 2.84Å; Q265-E286 PolarHBondContact NE2-OE2 2.95Å
266	I	98.8	Very high	98.7	Very high	74 Å²	74	61.6 Å²	61.6	38%	0.379	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.8	179	-59.5	168.9	0	0	0	108.7	I264 R281	I264-I266 HydrophobicContact CG2-CG1 4.21Å; I266-R281 VanDerWaalsContact CG2-CD 3.49Å
267	G	98.6	Very high	98.7	Very high	31 Å²	31	61.7 Å²	61.7	32%	0.32	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-174.2	178.4	0	0	0	0	0	113.9	R281 G282	G267-R281 WeakPolarHBondContact O-CD 3.47Å; G267-R281 PolarHBondContact O-NH1 2.93Å; G267-G282 WeakPolarHBondContact CA-O 3.34Å; G267-G282 PolarHBondContact N-O 2.64Å
268	R	98.8	Very high	98.7	Very high	182 Å²	182	61.9 Å²	61.9	69%	0.687	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	161.2	171	69	-178.5	-174.7	-179.8	4.2	111.3	E270 R281	R268-E270 WeakPolarHBondContact CG-OE1 3.38Å; R268-E270 IonicContact NE-OE1 2.67Å; R268-E270 PolarHBondContact NE-OE1 3.08Å; R268-E270 IonicContact NE-OE2 3.99Å; R268-E270 IonicContact NH2-OE1 3.12Å; R268-E270 IonicContact NH2-OE2 2.87Å; R268-R281 WeakPolarHBondContact O-CG 3.3Å
269	K	98.8	Very high	98.7	Very high	49 Å²	49	60.2 Å²	60.2	21%	0.213	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.3	164.3	179.9	-178.7	162.3	96.1	0	108.8	G71 R276 S278	G71-K269 WeakPolarHBondContact O-CE 3.33Å; G71-K269 PolarHBondContact O-NZ 3.11Å; K269-R276 WeakPolarHBondContact CE-O 3.38Å; K269-R276 PolarHBondContact NZ-O 3.03Å; K269-S278 PolarHBondContact NZ-O 3.49Å
270	E	98.8	Very high	98.7	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.168	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-78.3	141.7	174.9	-65.7	-56.6	135.1	0	0	111.3	M223 W224 R268 T280	M223-E270 HydrophobicContact CE-CG 3.89Å; W224-E270 HydrophobicContact CE3-CG 4.43Å; W224-E270 HydrophobicContact CZ3-CB 3.9Å; W224-E270 HydrophobicContact CZ3-CG 3.85Å; R268-E270 WeakPolarHBondContact CG-OE1 3.38Å; R268-E270 IonicContact NE-OE1 2.67Å; R268-E270 PolarHBondContact NE-OE1 3.08Å; R268-E270 IonicContact NE-OE2 3.99Å; R268-E270 IonicContact NH2-OE1 3.12Å; R268-E270 IonicContact NH2-OE2 2.87Å; E270-T280 PolarHBondContact N-O 3.48Å
271	L	98.7	Very high	98.8	Very high	160 Å²	160	56 Å²	56	84%	0.838	29%	0.289	S	S	*	.			trans	-99.5	90.4	-178.1	-60.1	-179.2	0	0	0	109.7
272	N	98.7	Very high	98.8	Very high	60 Å²	60	55.1 Å²	55.1	32%	0.321	29%	0.286	S	S	.	.			trans	-89.5	167	-177.3	-61.8	-32.1	0	0	0	112.3
273	M	98.8	Very high	98.8	Very high	109 Å²	109	49.8 Å²	49.8	54%	0.537	25%	0.251	S	S	.	.	S	Bend	trans	-63.6	-46.2	178.9	-176.8	177.3	72.8	0	0	113	R425 K428	M273-R425 WeakPolarHBondContact CE-O 3.44Å; M273-R425 HydrophobicContact CG-CB 4.05Å; M273-R425 HydrophobicContact CG-CG 3.9Å; M273-R425 WeakPolarHBondContact O-CD 3.45Å; M273-R425 PolarHBondContact O-NH1 3.49Å; M273-K428 HydrophobicContact CE-CB 3.27Å; M273-K428 HydrophobicContact CE-CG 3.66Å
274	G	98.8	Very high	98.8	Very high	11 Å²	11	50.1 Å²	50.1	11%	0.113	25%	0.247	C	C	.	.	S	Bend	trans	-132.1	175.8	-177.7	0	0	0	0	0	111.7	R276 D426	G274-R276 PolarHBondContact O-N 3.21Å; G274-D426 WeakPolarHBondContact CA-OD1 3.26Å
275	Q	98.9	Very high	98.8	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.079	24%	0.241	C	C	.	.			trans	52.3	38	-173.5	-61	-170.5	-28	0	0	112.5	T150 T154 C277 S278 D426 I429	T150-Q275 PolarHBondContact O-NE2 3.04Å; T150-Q275 PolarHBondContact OG1-NE2 3.48Å; T154-Q275 PolarHBondContact OG1-NE2 3.46Å; T154-Q275 PolarHBondContact OG1-OE1 2.79Å; Q275-C277 PolarHBondContact O-N 2.97Å; Q275-C277 VanDerWaalsContact O-N 3.12Å; Q275-S278 WeakPolarHBondContact O-CB 3.44Å; Q275-S278 PolarHBondContact O-N 3.11Å; Q275-D426 HydrophobicContact CG-CB 4.38Å; Q275-D426 PolarHBondContact N-OD1 3.25Å; Q275-I429 HydrophobicContact CG-CG2 4.21Å
276	R	98.9	Very high	98.8	Very high	83 Å²	83	49.3 Å²	49.3	31%	0.313	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.5	-164.9	-62.6	-169.5	-70.6	167.3	-3.6	114.6	D68 G71 K269 G274 S278	D68-R276 VanDerWaalsContact CG-NH2 3.29Å; D68-R276 WeakPolarHBondContact O-CB 3.31Å; D68-R276 PolarHBondContact O-NE 3.07Å; D68-R276 PolarHBondContact O-NH2 3.23Å; D68-R276 VanDerWaalsContact O-NH2 3.15Å; D68-R276 IonicContact OD1-CZ 3.64Å; D68-R276 IonicContact OD1-NE 2.84Å; D68-R276 PolarHBondContact OD1-NE 3.22Å; D68-R276 IonicContact OD1-NH2 3.61Å; D68-R276 IonicContact OD2-CZ 3.49Å; D68-R276 IonicContact OD2-NE 3.49Å; D68-R276 PolarHBondContact OD2-NE 2.86Å; D68-R276 IonicContact OD2-NH2 2.69Å; D68-R276 PolarHBondContact OD2-NH2 3.43Å; G71-R276 WeakPolarHBondContact CA-O 3.38Å; K269-R276 WeakPolarHBondContact CE-O 3.38Å; K269-R276 PolarHBondContact NZ-O 3.03Å; G274-R276 PolarHBondContact O-N 3.21Å; R276-S278 VanDerWaalsContact C-N 3.33Å
277	C	98.8	Very high	98.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.9	175.1	65.2	0	0	0	0	113.8	Y67 E72 P74 Q275	Y67-C277 WeakPolarHBondContact O-CB 3.39Å; E72-C277 VanDerWaalsContact O-CB 3.24Å; E72-C277 WeakPolarHBondContact O-CB 3.48Å; P74-C277 WeakPolarHBondContact CD-O 3.44Å; Q275-C277 PolarHBondContact O-N 2.97Å; Q275-C277 VanDerWaalsContact O-N 3.12Å
278	S	98.8	Very high	98.8	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.035	24%	0.236	C	C	.	.	S	Bend	trans	-65.1	142.3	170.4	-173.1	0	0	0	0	110.4	K269 Q275 R276	K269-S278 PolarHBondContact NZ-O 3.49Å; Q275-S278 WeakPolarHBondContact O-CB 3.44Å; Q275-S278 PolarHBondContact O-N 3.11Å; R276-S278 VanDerWaalsContact C-N 3.33Å
279	D	98.9	Very high	98.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.011	23%	0.228	C	C	.	.			trans	-87.6	124.1	173.8	-174.7	84.7	0	0	0	108.9	Y73 T226 N227 G228 G229 K230 R281	Y73-D279 HydrophobicContact CD2-CB 3.73Å; Y73-D279 HydrophobicContact CE2-CB 3.78Å; T226-D279 CarbonylContact C-O 3.56Å; T226-D279 VanDerWaalsContact CA-O 3.27Å; T226-D279 WeakPolarHBondContact CA-O 3.49Å; N227-D279 PolarHBondContact N-O 3.3Å; G228-D279 PolarHBondContact N-OD2 3.04Å; G229-D279 WeakPolarHBondContact CA-OD2 3.25Å; G229-D279 PolarHBondContact N-OD2 2.88Å; K230-D279 HydrophobicContact CG-CB 3.92Å; D279-R281 IonicContact OD1-CZ 2.81Å; D279-R281 IonicContact OD1-NE 3.53Å; D279-R281 PolarHBondContact OD1-NE 2.99Å; D279-R281 IonicContact OD1-NH2 3.82Å; D279-R281 PolarHBondContact OD1-NH2 3.35Å; D279-R281 WeakPolarHBondContact OD2-CG 3.26Å; D279-R281 IonicContact OD2-NE 3.17Å; D279-R281 PolarHBondContact OD2-NE 2.72Å
280	T	98.9	Very high	98.8	Very high	16 Å²	16	44 Å²	44	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	126	178.6	-54.5	0	0	0	0	109.1	W224 I225 E270	W224-T280 HydrophobicContact CB-CG2 4.35Å; W224-T280 HydrophobicContact CE3-CG2 4.1Å; I225-T280 WeakPolarHBondContact O-CA 3.49Å; E270-T280 PolarHBondContact N-O 3.48Å
281	R	98.8	Very high	98.8	Very high	51 Å²	51	44.9 Å²	44.9	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.8	-170.7	-54.7	-164.3	176.7	-137	1.1	113.4	W224 I225 I266 G267 R268 D279	W224-R281 PolarHBondContact N-O 3.25Å; I225-R281 PolarHBondContact N-O 3.46Å; I225-R281 PolarHBondContact O-N 3.36Å; I225-R281 VanDerWaalsContact O-N 3.15Å; I266-R281 VanDerWaalsContact CG2-CD 3.49Å; G267-R281 WeakPolarHBondContact O-CD 3.47Å; G267-R281 PolarHBondContact O-NH1 2.93Å; R268-R281 WeakPolarHBondContact O-CG 3.3Å; D279-R281 IonicContact OD1-CZ 2.81Å; D279-R281 IonicContact OD1-NE 3.53Å; D279-R281 PolarHBondContact OD1-NE 2.99Å; D279-R281 IonicContact OD1-NH2 3.82Å; D279-R281 PolarHBondContact OD1-NH2 3.35Å; D279-R281 WeakPolarHBondContact OD2-CG 3.26Å; D279-R281 IonicContact OD2-NE 3.17Å; D279-R281 PolarHBondContact OD2-NE 2.72Å
282	G	98.8	Very high	98.8	Very high	8 Å²	8	42.4 Å²	42.4	8%	0.082	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	149.3	155.5	0	0	0	0	0	110.9	K222 M223 G267	K222-G282 CarbonylContact O-C 3.53Å; K222-G282 VanDerWaalsContact O-CA 3.32Å; K222-G282 WeakPolarHBondContact O-CA 3.45Å; M223-G282 VanDerWaalsContact SD-CA 3.59Å; G267-G282 WeakPolarHBondContact CA-O 3.34Å; G267-G282 PolarHBondContact N-O 2.64Å
283	I	98.9	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.6	176.4	-51.7	178.5	0	0	0	108.1	Q221 K222 I225 Y234 I264 F285	Q221-I283 WeakPolarHBondContact CA-O 3.44Å; K222-I283 PolarHBondContact N-O 2.92Å; K222-I283 PolarHBondContact O-N 3.27Å; I225-I283 HydrophobicContact CB-CD1 4.07Å; I225-I283 HydrophobicContact CG1-CD1 4.19Å; I225-I283 HydrophobicContact CG1-CG1 4.4Å; I225-I283 HydrophobicContact CG2-CD1 3.95Å; Y234-I283 HydrophobicContact CD1-CD1 4.26Å; Y234-I283 HydrophobicContact CE1-CD1 3.61Å; I264-I283 HydrophobicContact CG2-CG2 3.76Å; I283-F285 HydrophobicContact CB-CE2 3.97Å; I283-F285 HydrophobicContact CB-CZ 4.32Å; I283-F285 HydrophobicContact CG2-CD2 4.28Å; I283-F285 HydrophobicContact CG2-CE1 4.36Å; I283-F285 HydrophobicContact CG2-CE2 3.61Å; I283-F285 HydrophobicContact CG2-CZ 3.66Å
284	V	98.9	Very high	98.7	Very high	35 Å²	35	38.9 Å²	38.9	21%	0.212	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.1	174.2	173	0	0	0	0	108.6	Q221 Q265 E286	Q221-V284 HydrophobicContact CB-CG2 4.28Å; Q221-V284 HydrophobicContact CG-CG2 3.82Å; Q265-V284 HydrophobicContact CB-CB 4.17Å; Q265-V284 PolarHBondContact N-O 3.35Å; Q265-V284 PolarHBondContact O-N 2.84Å; V284-E286 HydrophobicContact CG1-CG 3.81Å
285	F	98.9	Very high	98.7	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.2	174.8	-60.1	-98.3	0	0	0	106.9	I218 N219 G220 K222 L236 V257 I264 I283 V288	I218-F285 HydrophobicContact CG2-CB 3.87Å; I218-F285 HydrophobicContact CG2-CD1 4.33Å; I218-F285 HydrophobicContact CG2-CG 4.17Å; N219-F285 CarbonylContact C-O 3.6Å; N219-F285 VanDerWaalsContact CA-O 3.3Å; N219-F285 WeakPolarHBondContact CA-O 3.35Å; G220-F285 PolarHBondContact N-O 2.9Å; G220-F285 PolarHBondContact O-N 3.28Å; K222-F285 HydrophobicContact CB-CE2 4.13Å; K222-F285 HydrophobicContact CG-CD2 4.3Å; K222-F285 HydrophobicContact CG-CE2 3.68Å; L236-F285 HydrophobicContact CD1-CE1 4.46Å; L236-F285 HydrophobicContact CD1-CE2 4.03Å; L236-F285 HydrophobicContact CD1-CZ 3.94Å; L236-F285 HydrophobicContact CD2-CD1 4.45Å; L236-F285 HydrophobicContact CD2-CE1 4.31Å; V257-F285 HydrophobicContact CG1-CE1 4.48Å; I264-F285 HydrophobicContact CD1-CD1 4.44Å; I264-F285 HydrophobicContact CD1-CE1 4.12Å; I264-F285 HydrophobicContact CG1-CD1 3.92Å; I264-F285 HydrophobicContact CG1-CE1 4.02Å; I283-F285 HydrophobicContact CB-CE2 3.97Å; I283-F285 HydrophobicContact CB-CZ 4.32Å; I283-F285 HydrophobicContact CG2-CD2 4.28Å; I283-F285 HydrophobicContact CG2-CE1 4.36Å; I283-F285 HydrophobicContact CG2-CE2 3.61Å; I283-F285 HydrophobicContact CG2-CZ 3.66Å; F285-V288 HydrophobicContact CB-CB 4.42Å; F285-V288 HydrophobicContact CB-CG2 3.91Å; F285-V288 HydrophobicContact CD1-CB 4.36Å; F285-V288 HydrophobicContact CD1-CG1 4.38Å; F285-V288 HydrophobicContact CD1-CG2 4.03Å; F285-V288 HydrophobicContact CG-CG2 4.46Å
286	E	98.8	Very high	98.7	Very high	104 Å²	104	38.3 Å²	38.3	49%	0.486	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.9	177.3	-79.4	174	-168.9	0	0	109.4	G263 Q265 V284 V288	G263-E286 VanDerWaalsContact CA-O 3.22Å; G263-E286 WeakPolarHBondContact CA-O 3.42Å; G263-E286 PolarHBondContact O-N 2.94Å; Q265-E286 PolarHBondContact NE2-OE2 2.95Å; V284-E286 HydrophobicContact CG1-CG 3.81Å; E286-V288 PolarHBondContact O-N 2.95Å; E286-V288 VanDerWaalsContact O-N 3.12Å
287	D	98.6	Very high	98.7	Very high	103 Å²	103	40.2 Å²	40.2	55%	0.551	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49	36.4	-177.7	-66.2	-39.6	0	0	0	114.6	I217 I218 N219 K289	I217-D287 HydrophobicContact CG2-CB 4.18Å; I218-D287 PolarHBondContact O-N 3.13Å; N219-D287 PolarHBondContact ND2-OD1 3.17Å; N219-D287 PolarHBondContact OD1-N 2.91Å; D287-K289 PolarHBondContact O-N 2.99Å
288	V	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.2	-178.5	173.6	0	0	0	0	109.6	I217 I218 V257 T261 G263 I264 F285 E286 V290	I217-V288 WeakPolarHBondContact CA-O 3.24Å; I218-V288 HydrophobicContact CB-CB 4.18Å; I218-V288 PolarHBondContact N-O 3.26Å; I218-V288 PolarHBondContact O-N 3.38Å; I218-V288 VanDerWaalsContact O-N 3.09Å; V257-V288 HydrophobicContact CG1-CG1 4.11Å; T261-V288 HydrophobicContact CG2-CG1 3.74Å; G263-V288 WeakPolarHBondContact O-CG2 3.47Å; I264-V288 HydrophobicContact CD1-CG1 4.36Å; I264-V288 HydrophobicContact CG1-CG1 4.02Å; I264-V288 HydrophobicContact CG1-CG2 3.7Å; F285-V288 HydrophobicContact CB-CB 4.42Å; F285-V288 HydrophobicContact CB-CG2 3.91Å; F285-V288 HydrophobicContact CD1-CB 4.36Å; F285-V288 HydrophobicContact CD1-CG1 4.38Å; F285-V288 HydrophobicContact CD1-CG2 4.03Å; F285-V288 HydrophobicContact CG-CG2 4.46Å; E286-V288 PolarHBondContact O-N 2.95Å; E286-V288 VanDerWaalsContact O-N 3.12Å; V288-V290 HydrophobicContact CG1-CG2 4.19Å
289	K	98.8	Very high	98.5	Very high	120 Å²	120	45.1 Å²	45.1	52%	0.522	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.1	-177.6	-61.6	-176.8	176.8	-167.8	0	111	E215 Y216 I217 T261 D287	E215-K289 IonicContact OE1-NZ 3.76Å; Y216-K289 WeakPolarHBondContact O-CA 3.36Å; I217-K289 HydrophobicContact CD1-CG 3.76Å; T261-K289 WeakPolarHBondContact CG2-O 3.14Å; D287-K289 PolarHBondContact O-N 2.99Å
290	V	98.8	Very high	98.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.9	-180	-176.4	0	0	0	0	109.2	E215 Y216 I218 F255 V257 V288 N294	E215-V290 CarbonylContact C-O 3.57Å; E215-V290 WeakPolarHBondContact CA-O 3.1Å; Y216-V290 PolarHBondContact N-O 3.2Å; Y216-V290 PolarHBondContact O-N 2.7Å; I218-V290 HydrophobicContact CG1-CG2 3.7Å; F255-V290 HydrophobicContact CB-CG1 4.34Å; F255-V290 HydrophobicContact CD1-CB 4.48Å; F255-V290 HydrophobicContact CD1-CG1 3.92Å; V257-V290 HydrophobicContact CG1-CG2 4.17Å; V257-V290 HydrophobicContact CG2-CG1 4.45Å; V257-V290 HydrophobicContact CG2-CG2 3.88Å; V288-V290 HydrophobicContact CG1-CG2 4.19Å; V290-N294 HydrophobicContact CG1-CB 3.77Å
291	P	98.4	Very high	98.4	Very high	53 Å²	53	45.6 Å²	45.6	34%	0.344	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	149.2	-177.9	30.5	-36.5	0	0	0	111.1	E293 N294	P291-E293 HydrophobicContact CB-CG 4.07Å; P291-E293 HydrophobicContact CG-CG 4.07Å; P291-E293 PolarHBondContact O-N 2.89Å; P291-E293 VanDerWaalsContact O-N 3.07Å; P291-N294 HydrophobicContact CG-CB 4.28Å; P291-N294 WeakPolarHBondContact O-CB 3.28Å; P291-N294 PolarHBondContact O-N 3.3Å
292	K	98.1	Very high	98.4	Very high	109 Å²	109	43.2 Å²	43.2	47%	0.474	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-56.8	-27.1	-179.4	68.8	-177.9	176.6	-170.6	0	113.9	D214 Y216 N294 V295	D214-K292 HydrophobicContact CB-CD 4.19Å; D214-K292 WeakPolarHBondContact O-CB 3.4Å; D214-K292 WeakPolarHBondContact O-CG 3.27Å; D214-K292 PolarHBondContact O-N 3.25Å; D214-K292 WeakPolarHBondContact OD1-CE 2.98Å; D214-K292 IonicContact OD1-NZ 2.68Å; D214-K292 PolarHBondContact OD1-NZ 2.9Å; D214-K292 IonicContact OD2-NZ 3.46Å; Y216-K292 HydrophobicContact CE2-CB 4.34Å; K292-N294 PolarHBondContact O-N 2.97Å; K292-V295 WeakPolarHBondContact O-CB 3.27Å; K292-V295 WeakPolarHBondContact O-CG2 3.38Å; K292-V295 PolarHBondContact O-N 3.31Å
293	E	98.2	Very high	98.2	Very high	89 Å²	89	45 Å²	45	42%	0.416	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-67.4	-16	177.2	66.2	176.2	-148.1	0	0	113.4	Q174 P291 V295	Q174-E293 PolarHBondContact NE2-O 3.21Å; P291-E293 HydrophobicContact CB-CG 4.07Å; P291-E293 HydrophobicContact CG-CG 4.07Å; P291-E293 PolarHBondContact O-N 2.89Å; P291-E293 VanDerWaalsContact O-N 3.07Å; E293-V295 VanDerWaalsContact C-N 3.35Å
294	N	98.6	Very high	98.1	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.032	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-90.4	2.1	176	-79.1	14.1	0	0	0	113.2	Y178 F255 I256 V290 P291 K292	Y178-N294 PolarHBondContact OH-ND2 3.35Å; Y178-N294 PolarHBondContact OH-OD1 3.26Å; F255-N294 WeakPolarHBondContact CA-O 3.4Å; I256-N294 HydrophobicContact CB-CB 4.37Å; I256-N294 PolarHBondContact N-O 3.39Å; I256-N294 VanDerWaalsContact O-CB 3.26Å; I256-N294 WeakPolarHBondContact O-CB 3.49Å; I256-N294 PolarHBondContact O-ND2 3.45Å; V290-N294 HydrophobicContact CG1-CB 3.77Å; P291-N294 HydrophobicContact CG-CB 4.28Å; P291-N294 WeakPolarHBondContact O-CB 3.28Å; P291-N294 PolarHBondContact O-N 3.3Å; K292-N294 PolarHBondContact O-N 2.97Å
295	V	98.8	Very high	98.1	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.091	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-75.2	127.3	172.3	176.2	0	0	0	0	109.8	Q174 Y216 T253 F255 K292 E293	Q174-V295 PolarHBondContact NE2-O 3.44Å; Y216-V295 HydrophobicContact CD2-CG2 4.06Å; Y216-V295 HydrophobicContact CE2-CG2 3.65Å; T253-V295 HydrophobicContact CG2-CG1 3.57Å; T253-V295 HydrophobicContact CG2-CG2 4.37Å; F255-V295 HydrophobicContact CD1-CG2 3.89Å; F255-V295 HydrophobicContact CE1-CG2 3.6Å; K292-V295 WeakPolarHBondContact O-CB 3.27Å; K292-V295 WeakPolarHBondContact O-CG2 3.38Å; K292-V295 PolarHBondContact O-N 3.31Å; E293-V295 VanDerWaalsContact C-N 3.35Å
296	L	98.5	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-82.4	122.1	174.9	-67.9	174.2	0	0	0	110.3	P165 I166 F235 G254 I256 G298 I305	P165-L296 HydrophobicContact CB-CD1 3.89Å; I166-L296 HydrophobicContact CG1-CD2 4.46Å; F235-L296 HydrophobicContact CD2-CD1 3.74Å; F235-L296 HydrophobicContact CE2-CD1 3.84Å; G254-L296 PolarHBondContact O-N 2.78Å; I256-L296 HydrophobicContact CD1-CD2 3.97Å; I256-L296 HydrophobicContact CG1-CD1 4.5Å; I256-L296 HydrophobicContact CG1-CD2 4.16Å; I256-L296 HydrophobicContact CG1-CG 4.25Å; L296-G298 PolarHBondContact O-N 3.27Å; L296-I305 HydrophobicContact CB-CD1 3.72Å; L296-I305 HydrophobicContact CD1-CG2 4.44Å; L296-I305 WeakPolarHBondContact O-CD1 3.43Å
297	I	98.2	Very high	97.6	Very high	123 Å²	123	49.6 Å²	49.6	63%	0.631	25%	0.252	S	S	*	.	S	Bend	trans	62.5	-58.2	-174.8	-63.2	174.2	0	0	0	114	A169 A301 I305	A169-I297 HydrophobicContact CB-CD1 3.58Å; A169-I297 HydrophobicContact CB-CG1 3.83Å; A169-I297 WeakPolarHBondContact O-CG1 3.14Å; I297-A301 HydrophobicContact CB-CB 3.86Å; I297-A301 HydrophobicContact CG2-CB 3.78Å; I297-I305 HydrophobicContact CB-CD1 4.37Å; I297-I305 HydrophobicContact CD1-CD1 4.05Å; I297-I305 HydrophobicContact CD1-CG1 4.06Å; I297-I305 HydrophobicContact CG1-CD1 4.29Å
298	G	97.4	Very high	97.4	Very high	23 Å²	23	46 Å²	46	24%	0.237	24%	0.239	C	C	.	.	S	Bend	trans	158.3	176.9	-176.4	0	0	0	0	0	112.7	L296 G300 A301	L296-G298 PolarHBondContact O-N 3.27Å; G298-G300 PolarHBondContact O-N 2.93Å; G298-A301 WeakPolarHBondContact O-CB 3.38Å; G298-A301 PolarHBondContact O-N 3.09Å
299	D	97	Very high	97.3	Very high	87 Å²	87	46 Å²	46	47%	0.465	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	131.5	-179.5	-69.7	-16.5	0	0	0	111.5	K211 Y216 T253 A301	K211-D299 IonicContact NZ-OD2 2.79Å; Y216-D299 VanDerWaalsContact CZ-OD1 3.29Å; Y216-D299 PolarHBondContact OH-OD1 2.87Å; Y216-D299 PolarHBondContact OH-OD2 3.12Å; T253-D299 WeakPolarHBondContact OG1-CA 3.45Å; D299-A301 VanDerWaalsContact C-N 3.31Å; D299-A301 PolarHBondContact O-N 2.71Å
300	G	97.2	Very high	97.1	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-8.2	177.6	0	0	0	0	0	115.6	N249 K250 F252 T253 G298 G302	N249-G300 CarbonylContact C-O 3.54Å; K250-G300 WeakPolarHBondContact O-CA 3.31Å; F252-G300 CarbonylContact O-C 3Å; F252-G300 WeakPolarHBondContact O-CA 3.3Å; F252-G300 PolarHBondContact O-N 2.88Å; T253-G300 PolarHBondContact OG1-N 3.25Å; G298-G300 PolarHBondContact O-N 2.93Å; G300-G302 VanDerWaalsContact C-N 3.3Å; G300-G302 PolarHBondContact O-N 3.09Å
301	A	97.9	Very high	96.9	Very high	21 Å²	21	42 Å²	42	17%	0.174	22%	0.223	C	C	.	.			trans	-77.3	-13	179.4	0	0	0	0	0	114.1	F252 I297 G298 D299 F303 K304 I305	F252-A301 PolarHBondContact O-N 2.98Å; I297-A301 HydrophobicContact CB-CB 3.86Å; I297-A301 HydrophobicContact CG2-CB 3.78Å; G298-A301 WeakPolarHBondContact O-CB 3.38Å; G298-A301 PolarHBondContact O-N 3.09Å; D299-A301 VanDerWaalsContact C-N 3.31Å; D299-A301 PolarHBondContact O-N 2.71Å; A301-F303 PolarHBondContact O-N 3.07Å; A301-K304 PolarHBondContact O-N 2.82Å; A301-I305 HydrophobicContact CB-CD1 4.1Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 3.03Å
302	G	97.9	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-40.8	-166.7	0	0	0	0	0	114.6	L237 F252 G300 K304 I305 A306	L237-G302 VanDerWaalsContact CD1-C 3.41Å; L237-G302 WeakPolarHBondContact CD1-O 3.45Å; F252-G302 WeakPolarHBondContact O-CA 3.49Å; F252-G302 PolarHBondContact O-N 3.09Å; G300-G302 VanDerWaalsContact C-N 3.3Å; G300-G302 PolarHBondContact O-N 3.09Å; G302-K304 PolarHBondContact O-N 2.91Å; G302-I305 PolarHBondContact O-N 3.23Å; G302-A306 WeakPolarHBondContact O-CB 3.38Å; G302-A306 PolarHBondContact O-N 3.5Å
303	F	96.4	Very high	96.8	Very high	47 Å²	47	37.4 Å²	37.4	21%	0.206	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-40.2	-178.7	-166.9	-93.5	0	0	0	112.1	V202 A203 A248 F252 A301 I305 M307	V202-F303 HydrophobicContact CB-CE2 4.18Å; V202-F303 HydrophobicContact CG1-CD2 4.29Å; V202-F303 HydrophobicContact CG1-CE2 4.01Å; A203-F303 HydrophobicContact CB-CE2 4.27Å; A248-F303 HydrophobicContact CB-CD1 4.35Å; A248-F303 HydrophobicContact CB-CD2 4.16Å; A248-F303 HydrophobicContact CB-CE1 4.32Å; A248-F303 HydrophobicContact CB-CE2 4.13Å; A248-F303 HydrophobicContact CB-CG 4.28Å; A248-F303 HydrophobicContact CB-CZ 4.21Å; A248-F303 WeakPolarHBondContact O-CB 3.33Å; F252-F303 HydrophobicContact CD2-CB 4.06Å; F252-F303 AromaticContact CD2-CD2 3.94Å; F252-F303 HydrophobicContact CD2-CD2 3.94Å; F252-F303 HydrophobicContact CD2-CG 4.41Å; F252-F303 HydrophobicContact CE2-CD2 4.13Å; A301-F303 PolarHBondContact O-N 3.07Å; F303-I305 VanDerWaalsContact C-N 3.34Å; F303-M307 HydrophobicContact CD1-CG 3.92Å; F303-M307 HydrophobicContact CE1-CG 3.65Å; F303-M307 HydrophobicContact CE1-SD 4.39Å; F303-M307 HydrophobicContact CZ-CE 4.49Å; F303-M307 HydrophobicContact CZ-CG 4.13Å; F303-M307 HydrophobicContact CZ-SD 4.33Å; F303-M307 WeakPolarHBondContact O-CB 3.24Å; F303-M307 VanDerWaalsContact O-CG 3.26Å; F303-M307 WeakPolarHBondContact O-CG 3.38Å; F303-M307 PolarHBondContact O-N 3.24Å
304	K	96.6	Very high	96.8	Very high	172 Å²	172	33.8 Å²	33.8	75%	0.748	18%	0.18	S	C	*	.	H	α-helix	trans	-67.1	-37.9	177.2	-176.5	177.9	175.3	-175.3	0	111.1	A301 G302 G308	A301-K304 PolarHBondContact O-N 2.82Å; G302-K304 PolarHBondContact O-N 2.91Å; K304-G308 PolarHBondContact O-N 3.46Å
305	I	97.8	Very high	96.8	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-63.2	-51.9	176.5	-62.2	166.3	0	0	0	110.1	P165 A169 F235 L296 I297 A301 G302 F303 M307 G308 A309	P165-I305 HydrophobicContact CB-CG2 3.7Å; A169-I305 HydrophobicContact CB-CD1 3.86Å; A169-I305 HydrophobicContact CB-CG1 3.75Å; A169-I305 HydrophobicContact CB-CG2 3.99Å; F235-I305 HydrophobicContact CE2-CG2 4.21Å; L296-I305 HydrophobicContact CB-CD1 3.72Å; L296-I305 HydrophobicContact CD1-CG2 4.44Å; L296-I305 WeakPolarHBondContact O-CD1 3.43Å; I297-I305 HydrophobicContact CB-CD1 4.37Å; I297-I305 HydrophobicContact CD1-CD1 4.05Å; I297-I305 HydrophobicContact CD1-CG1 4.06Å; I297-I305 HydrophobicContact CG1-CD1 4.29Å; A301-I305 HydrophobicContact CB-CD1 4.1Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 3.03Å; G302-I305 PolarHBondContact O-N 3.23Å; F303-I305 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 2.9Å; I305-G308 PolarHBondContact O-N 2.98Å; I305-A309 PolarHBondContact O-N 3.35Å
306	A	95	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-46.6	177.7	0	0	0	0	0	111.9	Y191 L237 G302 A309 F310	Y191-A306 VanDerWaalsContact OH-CB 3.31Å; Y191-A306 WeakPolarHBondContact OH-CB 3.2Å; L237-A306 HydrophobicContact CD2-CB 4.1Å; G302-A306 WeakPolarHBondContact O-CB 3.38Å; G302-A306 PolarHBondContact O-N 3.5Å; A306-A309 PolarHBondContact O-N 3.43Å; A306-F310 WeakPolarHBondContact O-CD2 3.17Å
307	M	92.8	Very high	96.7	Very high	58 Å²	58	33.1 Å²	33.1	29%	0.286	18%	0.177	S	C	.	.	H	α-helix	trans	-66.9	-37	177.9	-67.1	-55.8	103.8	0	0	113.1	V202 F303 I305 F310	V202-M307 HydrophobicContact CB-CE 4.39Å; V202-M307 HydrophobicContact CG1-CE 4.24Å; V202-M307 HydrophobicContact CG2-CE 4.25Å; F303-M307 HydrophobicContact CD1-CG 3.92Å; F303-M307 HydrophobicContact CE1-CG 3.65Å; F303-M307 HydrophobicContact CE1-SD 4.39Å; F303-M307 HydrophobicContact CZ-CE 4.49Å; F303-M307 HydrophobicContact CZ-CG 4.13Å; F303-M307 HydrophobicContact CZ-SD 4.33Å; F303-M307 WeakPolarHBondContact O-CB 3.24Å; F303-M307 VanDerWaalsContact O-CG 3.26Å; F303-M307 WeakPolarHBondContact O-CG 3.38Å; F303-M307 PolarHBondContact O-N 3.24Å; I305-M307 PolarHBondContact O-N 2.9Å; M307-F310 HydrophobicContact CE-CD2 3.92Å; M307-F310 HydrophobicContact CE-CE2 3.57Å; M307-F310 PolarHBondContact O-N 3.28Å; M307-F310 HydrophobicContact SD-CD2 4.29Å; M307-F310 HydrophobicContact SD-CE2 4.46Å
308	G	95	Very high	96.8	Very high	27 Å²	27	27.3 Å²	27.3	28%	0.278	15%	0.147	S	C	.	.	H	α-helix	trans	-70.5	-32.3	178.1	0	0	0	0	0	113.3	K304 I305 F310 D311	K304-G308 PolarHBondContact O-N 3.46Å; I305-G308 PolarHBondContact O-N 2.98Å; G308-F310 VanDerWaalsContact C-N 3.29Å; G308-F310 PolarHBondContact O-N 2.94Å; G308-D311 PolarHBondContact O-N 3.48Å
309	A	97	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-41	174.7	0	0	0	0	0	111.4	M164 P165 I168 I305 A306 D311 K312 T313	M164-A309 HydrophobicContact CB-CB 4.1Å; M164-A309 HydrophobicContact CG-CB 3.9Å; P165-A309 HydrophobicContact CG-CB 4.17Å; I168-A309 HydrophobicContact CD1-CB 4.28Å; I305-A309 PolarHBondContact O-N 3.35Å; A306-A309 PolarHBondContact O-N 3.43Å; A309-D311 PolarHBondContact O-N 3.29Å; A309-K312 PolarHBondContact O-N 2.79Å; A309-T313 PolarHBondContact O-N 3.02Å; A309-T313 VanDerWaalsContact O-N 3.08Å
310	F	94.7	Very high	96.9	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-26.1	-179.8	-71.6	-56.4	0	0	0	115.2	Y191 A306 M307 G308 K312 T313 R314 E434	Y191-F310 HydrophobicContact CE1-CZ 4.44Å; A306-F310 WeakPolarHBondContact O-CD2 3.17Å; M307-F310 HydrophobicContact CE-CD2 3.92Å; M307-F310 HydrophobicContact CE-CE2 3.57Å; M307-F310 PolarHBondContact O-N 3.28Å; M307-F310 HydrophobicContact SD-CD2 4.29Å; M307-F310 HydrophobicContact SD-CE2 4.46Å; G308-F310 VanDerWaalsContact C-N 3.29Å; G308-F310 PolarHBondContact O-N 2.94Å; F310-K312 PolarHBondContact O-N 3.15Å; F310-T313 WeakPolarHBondContact CA-OG1 3.49Å; F310-T313 PolarHBondContact O-N 3.43Å; F310-R314 HydrophobicContact CB-CG 4.34Å; F310-R314 VanDerWaalsContact CD2-NH2 3.29Å; F310-R314 VanDerWaalsContact O-CB 3.3Å; F310-R314 WeakPolarHBondContact O-CB 3.5Å; F310-R314 WeakPolarHBondContact O-CG 3.3Å; F310-R314 PolarHBondContact O-N 3.06Å; F310-E434 VanDerWaalsContact CD1-OE2 3.27Å; F310-E434 WeakPolarHBondContact CD1-OE2 3.43Å; F310-E434 WeakPolarHBondContact CE1-OE1 3.34Å; F310-E434 WeakPolarHBondContact CE1-OE2 3.41Å
311	D	93.1	Very high	97	Very high	19 Å²	19	21.8 Å²	21.8	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-28.7	176.8	-83.9	1.9	0	0	0	111.1	G308 A309 P315 N383 T384	G308-D311 PolarHBondContact O-N 3.48Å; A309-D311 PolarHBondContact O-N 3.29Å; D311-P315 WeakPolarHBondContact O-CD 3.49Å; D311-N383 WeakPolarHBondContact CA-OD1 3.22Å; D311-N383 WeakPolarHBondContact CB-OD1 3.36Å; D311-N383 VanDerWaalsContact CG-OD1 3.29Å; D311-N383 PolarHBondContact O-ND2 2.97Å; D311-N383 PolarHBondContact O-OD1 3.02Å; D311-N383 VanDerWaalsContact O-OD1 3.1Å; D311-T384 VanDerWaalsContact CG-OG1 3.24Å; D311-T384 WeakPolarHBondContact OD1-CA 3.42Å; D311-T384 WeakPolarHBondContact OD1-CB 3.19Å; D311-T384 PolarHBondContact OD1-OG1 3.4Å; D311-T384 PolarHBondContact OD2-OG1 2.71Å
312	K	96.7	Very high	97.1	Very high	63 Å²	63	20.8 Å²	20.8	27%	0.274	10%	0.102	S	C	.	.	H	α-helix	trans	-94.7	-25.8	175.5	-69.4	-174.6	170.6	-161.1	0	113.9	T135 M164 I168 A309 F310 V377	T135-K312 WeakPolarHBondContact CG2-O 3.34Å; M164-K312 HydrophobicContact CE-CB 3.58Å; M164-K312 HydrophobicContact CE-CD 4.07Å; M164-K312 HydrophobicContact CE-CG 4.47Å; M164-K312 HydrophobicContact CG-CB 4.08Å; M164-K312 HydrophobicContact SD-CB 3.62Å; M164-K312 HydrophobicContact SD-CD 3.35Å; M164-K312 WeakPolarHBondContact SD-CD 3.27Å; M164-K312 HydrophobicContact SD-CG 4.08Å; I168-K312 HydrophobicContact CG2-CD 4.25Å; A309-K312 PolarHBondContact O-N 2.79Å; F310-K312 PolarHBondContact O-N 3.15Å; K312-V377 HydrophobicContact CD-CG2 4.45Å; K312-V377 HydrophobicContact CG-CG2 3.66Å
313	T	97.6	Very high	97.1	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-92.7	-30.3	-178.2	65.7	0	0	0	0	114.2	L161 M164 A309 F310 T316 V317 E434	L161-T313 HydrophobicContact CD1-CG2 3.87Å; M164-T313 HydrophobicContact CB-CG2 4.06Å; M164-T313 HydrophobicContact CG-CG2 4.2Å; A309-T313 PolarHBondContact O-N 3.02Å; A309-T313 VanDerWaalsContact O-N 3.08Å; F310-T313 WeakPolarHBondContact CA-OG1 3.49Å; F310-T313 PolarHBondContact O-N 3.43Å; T313-T316 PolarHBondContact O-N 3.21Å; T313-T316 VanDerWaalsContact O-N 3.13Å; T313-T316 PolarHBondContact O-OG1 3.47Å; T313-V317 WeakPolarHBondContact O-CG2 3.37Å; T313-V317 PolarHBondContact O-N 3.09Å; T313-V317 VanDerWaalsContact O-N 3.11Å; T313-E434 PolarHBondContact OG1-OE2 2.89Å
314	R	98.3	Very high	97.2	Very high	13 Å²	13	18.6 Å²	18.6	5%	0.049	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-36.8	179	-75.7	179.3	-161.9	133.7	10.1	113.9	F310 T316 V317 S318 A387	F310-R314 HydrophobicContact CB-CG 4.34Å; F310-R314 VanDerWaalsContact CD2-NH2 3.29Å; F310-R314 VanDerWaalsContact O-CB 3.3Å; F310-R314 WeakPolarHBondContact O-CB 3.5Å; F310-R314 WeakPolarHBondContact O-CG 3.3Å; F310-R314 PolarHBondContact O-N 3.06Å; R314-T316 VanDerWaalsContact C-N 3.34Å; R314-T316 PolarHBondContact O-N 2.78Å; R314-V317 PolarHBondContact O-N 3.46Å; R314-S318 WeakPolarHBondContact O-CB 3.23Å; R314-S318 PolarHBondContact O-N 2.84Å; R314-S318 PolarHBondContact O-OG 3.41Å; R314-A387 HydrophobicContact CB-CB 4.1Å
315	P	98.8	Very high	97.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-39.3	173.1	-25.2	36.3	0	0	0	113.2	T135 C139 D311 S318 S319 A373 A374 A387	T135-P315 HydrophobicContact CG2-CB 3.95Å; T135-P315 HydrophobicContact CG2-CG 4.09Å; C139-P315 PolarHBondContact SG-O 2.74Å; D311-P315 WeakPolarHBondContact O-CD 3.49Å; P315-S318 WeakPolarHBondContact O-CB 3.3Å; P315-S318 PolarHBondContact O-N 3.05Å; P315-S319 PolarHBondContact O-N 3.31Å; P315-S319 PolarHBondContact O-OG 3.12Å; P315-A373 HydrophobicContact CB-CB 4.33Å; P315-A373 HydrophobicContact CG-CB 3.95Å; P315-A374 HydrophobicContact CB-CB 4.16Å; P315-A387 HydrophobicContact CG-CB 4.27Å
316	T	97.8	Very high	97.4	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.025	6%	0.063	C	C	.	.	H	α-helix	trans	-69.7	-35.5	179.5	58.7	0	0	0	0	112.2	A138 S142 E157 T313 R314 S318 S319 G320	A138-T316 HydrophobicContact CB-CG2 3.72Å; S142-T316 PolarHBondContact OG-O 3.22Å; E157-T316 VanDerWaalsContact OE1-CB 3.23Å; E157-T316 WeakPolarHBondContact OE1-CB 3.41Å; E157-T316 PolarHBondContact OE1-OG1 3.25Å; T313-T316 PolarHBondContact O-N 3.21Å; T313-T316 VanDerWaalsContact O-N 3.13Å; T313-T316 PolarHBondContact O-OG1 3.47Å; R314-T316 VanDerWaalsContact C-N 3.34Å; R314-T316 PolarHBondContact O-N 2.78Å; T316-S318 VanDerWaalsContact C-N 3.33Å; T316-S319 WeakPolarHBondContact CA-OG 3.29Å; T316-S319 PolarHBondContact O-N 3.01Å; T316-S319 PolarHBondContact O-OG 2.89Å; T316-G320 PolarHBondContact O-N 2.94Å
317	V	98.6	Very high	97.6	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.024	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-40.2	172.6	175.8	0	0	0	0	110.5	E157 T313 R314 G320 A321 Y430 Y433 E434	E157-V317 WeakPolarHBondContact OE1-CA 3.44Å; E157-V317 VanDerWaalsContact OE1-CG2 3.25Å; E157-V317 WeakPolarHBondContact OE1-CG2 3.32Å; E157-V317 PolarHBondContact OE1-N 3.34Å; T313-V317 WeakPolarHBondContact O-CG2 3.37Å; T313-V317 PolarHBondContact O-N 3.09Å; T313-V317 VanDerWaalsContact O-N 3.11Å; R314-V317 PolarHBondContact O-N 3.46Å; V317-G320 PolarHBondContact O-N 2.85Å; V317-A321 PolarHBondContact O-N 2.81Å; V317-A321 VanDerWaalsContact O-N 3.08Å; V317-Y430 HydrophobicContact CG1-CD1 3.94Å; V317-Y430 HydrophobicContact CG1-CE1 4.15Å; V317-Y430 VanDerWaalsContact O-CE1 3.3Å; V317-Y430 WeakPolarHBondContact O-CE1 3.4Å; V317-Y433 HydrophobicContact CG1-CD1 4.45Å; V317-Y433 HydrophobicContact CG1-CE1 3.54Å; V317-E434 HydrophobicContact CG1-CB 4.4Å; V317-E434 HydrophobicContact CG2-CB 4.16Å; V317-E434 HydrophobicContact CG2-CG 3.78Å
318	S	98.8	Very high	97.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-43.3	179	-54.2	0	0	0	0	111.5	R314 P315 T316 G320 A321 V322 K391	R314-S318 WeakPolarHBondContact O-CB 3.23Å; R314-S318 PolarHBondContact O-N 2.84Å; R314-S318 PolarHBondContact O-OG 3.41Å; P315-S318 WeakPolarHBondContact O-CB 3.3Å; P315-S318 PolarHBondContact O-N 3.05Å; T316-S318 VanDerWaalsContact C-N 3.33Å; S318-G320 VanDerWaalsContact C-N 3.3Å; S318-G320 PolarHBondContact O-N 3.09Å; S318-A321 WeakPolarHBondContact O-CB 3.18Å; S318-A321 PolarHBondContact O-N 3.36Å; S318-V322 WeakPolarHBondContact O-CG2 3.43Å; S318-V322 PolarHBondContact O-N 3.09Å; S318-K391 WeakPolarHBondContact OG-CA 3.35Å; S318-K391 PolarHBondContact OG-N 2.86Å
319	S	98.9	Very high	98.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.1	-33.3	173.9	50.8	0	0	0	0	112.4	C139 P315 T316 A321 V322 G323	C139-S319 WeakPolarHBondContact CA-OG 3.46Å; C139-S319 WeakPolarHBondContact O-CB 3.41Å; C139-S319 PolarHBondContact O-OG 3.25Å; P315-S319 PolarHBondContact O-N 3.31Å; P315-S319 PolarHBondContact O-OG 3.12Å; T316-S319 WeakPolarHBondContact CA-OG 3.29Å; T316-S319 PolarHBondContact O-N 3.01Å; T316-S319 PolarHBondContact O-OG 2.89Å; S319-A321 PolarHBondContact O-N 2.93Å; S319-V322 PolarHBondContact O-N 3.46Å; S319-G323 PolarHBondContact O-N 3.26Å
320	G	98.9	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.3	-43.8	169.9	0	0	0	0	0	113	A146 T316 V317 S318 V322 G323 L324	A146-G320 VanDerWaalsContact CB-O 3.25Å; A146-G320 WeakPolarHBondContact CB-O 3.21Å; T316-G320 PolarHBondContact O-N 2.94Å; V317-G320 PolarHBondContact O-N 2.85Å; S318-G320 VanDerWaalsContact C-N 3.3Å; S318-G320 PolarHBondContact O-N 3.09Å; G320-V322 VanDerWaalsContact C-N 3.34Å; G320-V322 PolarHBondContact O-N 3.13Å; G320-G323 PolarHBondContact O-N 3.25Å; G320-L324 PolarHBondContact O-N 3.39Å; G320-L324 VanDerWaalsContact O-N 3.17Å
321	A	98.9	Very high	98.4	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-39.6	174.9	0	0	0	0	0	112.1	V317 S318 S319 L324 A325 A394 A398 Y430	V317-A321 PolarHBondContact O-N 2.81Å; V317-A321 VanDerWaalsContact O-N 3.08Å; S318-A321 WeakPolarHBondContact O-CB 3.18Å; S318-A321 PolarHBondContact O-N 3.36Å; S319-A321 PolarHBondContact O-N 2.93Å; A321-L324 PolarHBondContact O-N 2.95Å; A321-A325 WeakPolarHBondContact O-CB 3.33Å; A321-A325 PolarHBondContact O-N 2.69Å; A321-A394 HydrophobicContact CB-CB 3.95Å; A321-A398 HydrophobicContact CB-CB 4Å; A321-A398 WeakPolarHBondContact O-CB 3.35Å; A321-Y430 HydrophobicContact CB-CD1 3.6Å; A321-Y430 HydrophobicContact CB-CD2 4.18Å; A321-Y430 HydrophobicContact CB-CE1 3.96Å; A321-Y430 HydrophobicContact CB-CG 3.73Å
322	V	98.9	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.5	-40.8	175.2	176.2	0	0	0	0	111.6	E143 S318 S319 G320 L324 A325 Q326 V363 A366 R367 Y370 A394	E143-V322 HydrophobicContact CG-CG1 4.3Å; S318-V322 WeakPolarHBondContact O-CG2 3.43Å; S318-V322 PolarHBondContact O-N 3.09Å; S319-V322 PolarHBondContact O-N 3.46Å; G320-V322 VanDerWaalsContact C-N 3.34Å; G320-V322 PolarHBondContact O-N 3.13Å; V322-L324 VanDerWaalsContact C-N 3.34Å; V322-L324 PolarHBondContact O-N 2.72Å; V322-A325 WeakPolarHBondContact O-CB 3.4Å; V322-A325 PolarHBondContact O-N 2.71Å; V322-A325 VanDerWaalsContact O-N 3.15Å; V322-Q326 WeakPolarHBondContact O-CB 3.46Å; V322-Q326 PolarHBondContact O-N 2.89Å; V322-V363 HydrophobicContact CG1-CG1 4.24Å; V322-A366 HydrophobicContact CG2-CB 3.62Å; V322-R367 HydrophobicContact CG1-CB 4.1Å; V322-Y370 HydrophobicContact CB-CD1 4.43Å; V322-Y370 HydrophobicContact CB-CE1 4.25Å; V322-Y370 HydrophobicContact CG1-CE1 4.31Å; V322-Y370 HydrophobicContact CG2-CD1 3.94Å; V322-Y370 HydrophobicContact CG2-CE1 4.19Å; V322-A394 HydrophobicContact CG2-CB 4.06Å
323	G	98.9	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.6	-43.2	177.2	0	0	0	0	0	112.4	E143 Y147 S319 G320 Q326 R327	E143-G323 WeakPolarHBondContact O-CA 3.22Å; Y147-G323 WeakPolarHBondContact CA-O 3.38Å; S319-G323 PolarHBondContact O-N 3.26Å; G320-G323 PolarHBondContact O-N 3.25Å; G323-Q326 PolarHBondContact O-N 3.08Å; G323-R327 PolarHBondContact O-N 3.28Å
324	L	98.9	Very high	98.8	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-61.5	-46.4	172.3	-174.4	153.4	0	0	0	111.8	T150 G320 A321 V322 Q326 R327 A328 A398 A402 L423 D426 A427 Y430	T150-L324 HydrophobicContact CG2-CB 3.79Å; T150-L324 HydrophobicContact CG2-CD1 3.77Å; T150-L324 HydrophobicContact CG2-CG 4.31Å; G320-L324 PolarHBondContact O-N 3.39Å; G320-L324 VanDerWaalsContact O-N 3.17Å; A321-L324 PolarHBondContact O-N 2.95Å; V322-L324 VanDerWaalsContact C-N 3.34Å; V322-L324 PolarHBondContact O-N 2.72Å; L324-Q326 PolarHBondContact O-N 2.93Å; L324-R327 WeakPolarHBondContact O-CB 3.26Å; L324-R327 PolarHBondContact O-N 3.32Å; L324-A328 PolarHBondContact O-N 3.45Å; L324-A398 HydrophobicContact CD2-CB 4.35Å; L324-A402 HydrophobicContact CD2-CB 4.17Å; L324-L423 HydrophobicContact CD2-CB 4.34Å; L324-L423 HydrophobicContact CG-CD2 4.32Å; L324-D426 HydrophobicContact CD1-CB 3.64Å; L324-A427 HydrophobicContact CD1-CB 4.16Å; L324-A427 HydrophobicContact CD2-CB 3.78Å; L324-Y430 HydrophobicContact CD1-CE2 4.17Å
325	A	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.6	-41.8	-179.9	0	0	0	0	0	112	A321 V322 R327 A328 L329 V363 I397 A398 L401	A321-A325 WeakPolarHBondContact O-CB 3.33Å; A321-A325 PolarHBondContact O-N 2.69Å; V322-A325 WeakPolarHBondContact O-CB 3.4Å; V322-A325 PolarHBondContact O-N 2.71Å; V322-A325 VanDerWaalsContact O-N 3.15Å; A325-R327 VanDerWaalsContact C-N 3.32Å; A325-R327 PolarHBondContact O-N 3.05Å; A325-A328 PolarHBondContact O-N 2.9Å; A325-L329 PolarHBondContact O-N 3.4Å; A325-V363 HydrophobicContact CB-CG2 4.12Å; A325-I397 HydrophobicContact CB-CD1 3.67Å; A325-A398 HydrophobicContact CB-CB 4.35Å; A325-L401 HydrophobicContact CB-CB 4.38Å; A325-L401 HydrophobicContact CB-CD2 3.88Å
326	Q	99	Very high	98.8	Very high	38 Å²	38	15 Å²	15	18%	0.178	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-41.4	173.7	-176.3	66.5	64.8	0	0	110.9	Y147 V322 G323 L324 L329 D330 V363	Y147-Q326 HydrophobicContact CD2-CB 4.17Å; Y147-Q326 HydrophobicContact CD2-CG 3.96Å; Y147-Q326 HydrophobicContact CE2-CG 4.05Å; V322-Q326 WeakPolarHBondContact O-CB 3.46Å; V322-Q326 PolarHBondContact O-N 2.89Å; G323-Q326 PolarHBondContact O-N 3.08Å; L324-Q326 PolarHBondContact O-N 2.93Å; Q326-L329 PolarHBondContact O-N 2.94Å; Q326-D330 PolarHBondContact NE2-OD1 2.88Å; Q326-D330 WeakPolarHBondContact O-CB 3.08Å; Q326-D330 PolarHBondContact O-N 3.15Å; Q326-V363 HydrophobicContact CB-CG1 4.42Å; Q326-V363 VanDerWaalsContact OE1-CG1 3.29Å
327	R	98.9	Very high	98.9	Very high	21 Å²	21	19.4 Å²	19.4	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.3	-176.2	63.1	-176.8	-71.1	-3.1	111.7	Y147 G148 G323 L324 A325 L329 D330 E331 L423	Y147-R327 HydrophobicContact CD2-CB 3.73Å; Y147-R327 HydrophobicContact CE2-CB 3.98Å; Y147-R327 HydrophobicContact CG-CB 4.18Å; Y147-R327 WeakPolarHBondContact O-CD 3.41Å; Y147-R327 WeakPolarHBondContact O-CG 3.47Å; Y147-R327 PolarHBondContact O-NH1 3.01Å; G148-R327 PolarHBondContact O-NH1 3.44Å; G323-R327 PolarHBondContact O-N 3.28Å; L324-R327 WeakPolarHBondContact O-CB 3.26Å; L324-R327 PolarHBondContact O-N 3.32Å; A325-R327 VanDerWaalsContact C-N 3.32Å; A325-R327 PolarHBondContact O-N 3.05Å; R327-L329 PolarHBondContact O-N 2.78Å; R327-D330 PolarHBondContact O-N 2.74Å; R327-E331 HydrophobicContact CG-CG 4.43Å; R327-E331 IonicContact CZ-OE1 3.27Å; R327-E331 VanDerWaalsContact CZ-OE1 3.27Å; R327-E331 IonicContact NE-OE1 2.73Å; R327-E331 PolarHBondContact NE-OE1 2.99Å; R327-E331 IonicContact NH2-OE1 2.9Å; R327-E331 PolarHBondContact NH2-OE1 2.83Å; R327-E331 VanDerWaalsContact O-CG 3.31Å; R327-E331 WeakPolarHBondContact O-CG 3.43Å; R327-E331 PolarHBondContact O-N 3.03Å; R327-L423 HydrophobicContact CB-CD1 4.31Å; R327-L423 HydrophobicContact CG-CD1 3.86Å; R327-L423 HydrophobicContact CG-CD2 4.09Å
328	A	98.9	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-44.1	177	0	0	0	0	0	111.8	L324 A325 A332 L401 A405 L423	L324-A328 PolarHBondContact O-N 3.45Å; A325-A328 PolarHBondContact O-N 2.9Å; A328-A332 VanDerWaalsContact O-CB 3.26Å; A328-A332 WeakPolarHBondContact O-CB 3.43Å; A328-A332 PolarHBondContact O-N 3.13Å; A328-L401 HydrophobicContact CB-CB 4.43Å; A328-A405 HydrophobicContact CB-CB 3.92Å; A328-A405 WeakPolarHBondContact O-CB 3.18Å; A328-L423 HydrophobicContact CB-CD1 3.99Å
329	L	98.9	Very high	98.9	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-46.2	175.3	174.3	58.9	0	0	0	112.5	A325 Q326 R327 A332 T333 L356 M359 A360 V363	A325-L329 PolarHBondContact O-N 3.4Å; Q326-L329 PolarHBondContact O-N 2.94Å; R327-L329 PolarHBondContact O-N 2.78Å; L329-A332 PolarHBondContact O-N 3.11Å; L329-T333 VanDerWaalsContact O-CB 3.31Å; L329-T333 WeakPolarHBondContact O-CB 3.25Å; L329-T333 PolarHBondContact O-N 2.68Å; L329-T333 PolarHBondContact O-OG1 2.98Å; L329-L356 HydrophobicContact CD1-CD2 4.03Å; L329-M359 HydrophobicContact CB-CE 4.24Å; L329-M359 HydrophobicContact CD1-CB 3.8Å; L329-M359 HydrophobicContact CD1-CE 4.25Å; L329-M359 HydrophobicContact CD1-SD 4.47Å; L329-A360 HydrophobicContact CD2-CB 4.17Å; L329-V363 HydrophobicContact CD2-CG2 4.17Å
330	D	98.9	Very high	98.9	Very high	37 Å²	37	38.6 Å²	38.6	20%	0.198	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-46.8	-179.7	-79.4	17.1	0	0	0	111.8	Y147 Q326 R327 T333 K334	Y147-D330 HydrophobicContact CE2-CB 4.24Å; Y147-D330 WeakPolarHBondContact CE2-OD2 3.45Å; Y147-D330 VanDerWaalsContact CZ-OD2 3.26Å; Y147-D330 PolarHBondContact OH-OD2 3.03Å; Q326-D330 PolarHBondContact NE2-OD1 2.88Å; Q326-D330 WeakPolarHBondContact O-CB 3.08Å; Q326-D330 PolarHBondContact O-N 3.15Å; R327-D330 PolarHBondContact O-N 2.74Å; D330-T333 PolarHBondContact O-N 2.84Å; D330-K334 WeakPolarHBondContact O-CB 3.17Å; D330-K334 VanDerWaalsContact O-CG 3.23Å; D330-K334 WeakPolarHBondContact O-CG 3.28Å; D330-K334 PolarHBondContact O-N 3.24Å
331	E	98.9	Very high	98.8	Very high	31 Å²	31	40.9 Å²	40.9	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-45.3	178.4	-64.7	-60.4	164.4	0	0	110.9	R327 T333 K334 Y335 F409 P419 V420	R327-E331 HydrophobicContact CG-CG 4.43Å; R327-E331 IonicContact CZ-OE1 3.27Å; R327-E331 VanDerWaalsContact CZ-OE1 3.27Å; R327-E331 IonicContact NE-OE1 2.73Å; R327-E331 PolarHBondContact NE-OE1 2.99Å; R327-E331 IonicContact NH2-OE1 2.9Å; R327-E331 PolarHBondContact NH2-OE1 2.83Å; R327-E331 VanDerWaalsContact O-CG 3.31Å; R327-E331 WeakPolarHBondContact O-CG 3.43Å; R327-E331 PolarHBondContact O-N 3.03Å; E331-T333 PolarHBondContact O-N 2.77Å; E331-K334 PolarHBondContact O-N 3.45Å; E331-Y335 WeakPolarHBondContact O-CB 3.27Å; E331-Y335 PolarHBondContact O-N 3.38Å; E331-F409 HydrophobicContact CB-CE2 4.19Å; E331-F409 HydrophobicContact CB-CZ 4.21Å; E331-F409 WeakPolarHBondContact O-CE2 3.38Å; E331-P419 HydrophobicContact CG-CG 3.93Å; E331-V420 HydrophobicContact CB-CG1 3.97Å
332	A	98.9	Very high	98.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-43.9	177.7	0	0	0	0	0	112.2	A328 L329 A336 L356 M359 A405 I408	A328-A332 VanDerWaalsContact O-CB 3.26Å; A328-A332 WeakPolarHBondContact O-CB 3.43Å; A328-A332 PolarHBondContact O-N 3.13Å; L329-A332 PolarHBondContact O-N 3.11Å; A332-A336 VanDerWaalsContact O-CB 3.26Å; A332-A336 WeakPolarHBondContact O-CB 3.45Å; A332-A336 PolarHBondContact O-N 2.95Å; A332-L356 HydrophobicContact CB-CD2 4.15Å; A332-M359 HydrophobicContact CB-CE 4.16Å; A332-A405 HydrophobicContact CB-CB 4.02Å; A332-I408 HydrophobicContact CB-CB 4.37Å; A332-I408 HydrophobicContact CB-CD1 3.91Å; A332-I408 HydrophobicContact CB-CG2 4.28Å
333	T	98.9	Very high	98.8	Very high	45 Å²	45	53.6 Å²	53.6	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-47.3	179.8	-56.2	0	0	0	0	111.2	L329 D330 E331 A336 L337	L329-T333 VanDerWaalsContact O-CB 3.31Å; L329-T333 WeakPolarHBondContact O-CB 3.25Å; L329-T333 PolarHBondContact O-N 2.68Å; L329-T333 PolarHBondContact O-OG1 2.98Å; D330-T333 PolarHBondContact O-N 2.84Å; E331-T333 PolarHBondContact O-N 2.77Å; T333-A336 PolarHBondContact O-N 3.22Å; T333-L337 HydrophobicContact CG2-CD1 4.1Å; T333-L337 WeakPolarHBondContact O-CG 3.41Å; T333-L337 PolarHBondContact O-N 3.49Å; T333-L337 VanDerWaalsContact O-N 3.1Å
334	K	98.9	Very high	98.7	Very high	94 Å²	94	58.8 Å²	58.8	41%	0.409	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-49.3	177.4	-72.5	169.5	-170.4	170.3	0	111.3	D330 E331 A336 L337 E338	D330-K334 WeakPolarHBondContact O-CB 3.17Å; D330-K334 VanDerWaalsContact O-CG 3.23Å; D330-K334 WeakPolarHBondContact O-CG 3.28Å; D330-K334 PolarHBondContact O-N 3.24Å; E331-K334 PolarHBondContact O-N 3.45Å; K334-A336 VanDerWaalsContact C-N 3.3Å; K334-A336 PolarHBondContact O-N 3.49Å; K334-L337 WeakPolarHBondContact O-CB 3.22Å; K334-L337 PolarHBondContact O-N 2.65Å; K334-L337 VanDerWaalsContact O-N 3.14Å; K334-E338 PolarHBondContact O-N 3.08Å
335	Y	98.9	Very high	98.7	Very high	24 Å²	24	60.7 Å²	60.7	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-38.8	179.3	-171.9	-98.9	0	0	0	112.3	E331 L337 E338 R339 L346 F409 N412 Y418	E331-Y335 WeakPolarHBondContact O-CB 3.27Å; E331-Y335 PolarHBondContact O-N 3.38Å; Y335-L337 VanDerWaalsContact C-N 3.26Å; Y335-L337 PolarHBondContact O-N 3.18Å; Y335-E338 PolarHBondContact O-N 3.07Å; Y335-E338 VanDerWaalsContact O-N 3.17Å; Y335-R339 HydrophobicContact CD1-CB 4.14Å; Y335-R339 HydrophobicContact CE1-CB 3.79Å; Y335-R339 HydrophobicContact CE1-CG 3.87Å; Y335-R339 WeakPolarHBondContact O-CB 3.37Å; Y335-R339 PolarHBondContact O-N 2.74Å; Y335-L346 HydrophobicContact CD1-CD1 4.15Å; Y335-L346 HydrophobicContact CE1-CD1 4.1Å; Y335-F409 VanDerWaalsContact CB-CE2 3.49Å; Y335-F409 VanDerWaalsContact CB-CZ 3.41Å; Y335-F409 HydrophobicContact CD1-CB 4.41Å; Y335-F409 HydrophobicContact CD1-CD1 4.11Å; Y335-F409 HydrophobicContact CD1-CD2 4.04Å; Y335-F409 HydrophobicContact CD1-CE1 4.4Å; Y335-F409 HydrophobicContact CD1-CE2 4.38Å; Y335-F409 AromaticContact CD1-CG 3.92Å; Y335-F409 HydrophobicContact CD1-CG 3.92Å; Y335-F409 AromaticContact CD2-CD1 3.68Å; Y335-F409 HydrophobicContact CD2-CD1 3.68Å; Y335-F409 AromaticContact CD2-CE1 3.42Å; Y335-F409 HydrophobicContact CD2-CE1 3.42Å; Y335-F409 VanDerWaalsContact CD2-CE1 3.42Å; Y335-F409 HydrophobicContact CD2-CG 4.32Å; Y335-F409 AromaticContact CD2-CZ 3.92Å; Y335-F409 HydrophobicContact CD2-CZ 3.92Å; Y335-F409 HydrophobicContact CE1-CB 4.29Å; Y335-F409 HydrophobicContact CE1-CD1 4.27Å; Y335-F409 HydrophobicContact CE1-CG 4.18Å; Y335-F409 AromaticContact CE2-CD1 3.86Å; Y335-F409 HydrophobicContact CE2-CD1 3.86Å; Y335-F409 HydrophobicContact CE2-CE1 4Å; Y335-F409 AromaticContact CG-CD1 3.79Å; Y335-F409 HydrophobicContact CG-CD1 3.79Å; Y335-F409 HydrophobicContact CG-CD2 4Å; Y335-F409 AromaticContact CG-CE1 3.64Å; Y335-F409 HydrophobicContact CG-CE1 3.64Å; Y335-F409 AromaticContact CG-CE2 3.91Å; Y335-F409 HydrophobicContact CG-CE2 3.91Å; Y335-F409 AromaticContact CG-CG 3.97Å; Y335-F409 HydrophobicContact CG-CG 3.97Å; Y335-F409 AromaticContact CG-CZ 3.73Å; Y335-F409 HydrophobicContact CG-CZ 3.73Å; Y335-F409 PolarHBondContact OH-O 3.27Å; Y335-N412 PolarHBondContact OH-ND2 2.68Å; Y335-Y418 HydrophobicContact CE2-CE1 4.39Å
336	A	98.8	Very high	98.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-24.6	177.9	0	0	0	0	0	114	A332 T333 K334 L346 I347 I352 L356 I408	A332-A336 VanDerWaalsContact O-CB 3.26Å; A332-A336 WeakPolarHBondContact O-CB 3.45Å; A332-A336 PolarHBondContact O-N 2.95Å; T333-A336 PolarHBondContact O-N 3.22Å; K334-A336 VanDerWaalsContact C-N 3.3Å; K334-A336 PolarHBondContact O-N 3.49Å; A336-L346 HydrophobicContact CB-CB 4Å; A336-L346 PolarHBondContact O-N 3.42Å; A336-I347 PolarHBondContact O-N 3.1Å; A336-I347 VanDerWaalsContact O-N 3.14Å; A336-I352 HydrophobicContact CB-CG2 4.24Å; A336-L356 HydrophobicContact CB-CD1 4.2Å; A336-I408 HydrophobicContact CB-CG2 4.2Å
337	L	98.8	Very high	98.6	Very high	95 Å²	95	62 Å²	62	50%	0.497	31%	0.307	S	S	.	.	H	α-helix	trans	-81.7	-11.4	174.7	-74.6	165.1	0	0	0	113.6	T333 K334 Y335 L345 I347	T333-L337 HydrophobicContact CG2-CD1 4.1Å; T333-L337 WeakPolarHBondContact O-CG 3.41Å; T333-L337 PolarHBondContact O-N 3.49Å; T333-L337 VanDerWaalsContact O-N 3.1Å; K334-L337 WeakPolarHBondContact O-CB 3.22Å; K334-L337 PolarHBondContact O-N 2.65Å; K334-L337 VanDerWaalsContact O-N 3.14Å; Y335-L337 VanDerWaalsContact C-N 3.26Å; Y335-L337 PolarHBondContact O-N 3.18Å; L337-L345 VanDerWaalsContact O-CD2 3.27Å; L337-L345 WeakPolarHBondContact O-CD2 3.37Å; L337-I347 HydrophobicContact CD2-CB 4.48Å; L337-I347 HydrophobicContact CD2-CG2 4.08Å
338	E	98.7	Very high	98.6	Very high	150 Å²	150	65.9 Å²	65.9	70%	0.701	33%	0.326	S	S	*	.	H	α-helix	trans	-110.4	-43.9	-178.6	-67.7	174.8	-175.6	0	0	112.2	K334 Y335	K334-E338 PolarHBondContact O-N 3.08Å; Y335-E338 PolarHBondContact O-N 3.07Å; Y335-E338 VanDerWaalsContact O-N 3.17Å
339	R	98.5	Very high	98.6	Very high	127 Å²	127	68.1 Å²	68.1	48%	0.479	34%	0.337	S	S	.	.			trans	-74.6	137.6	-173.6	-176.9	64.1	-179.5	-172.5	-1.4	111.1	Y335 L345 L346	Y335-R339 HydrophobicContact CD1-CB 4.14Å; Y335-R339 HydrophobicContact CE1-CB 3.79Å; Y335-R339 HydrophobicContact CE1-CG 3.87Å; Y335-R339 WeakPolarHBondContact O-CB 3.37Å; Y335-R339 PolarHBondContact O-N 2.74Å; R339-L345 CarbonylContact O-C 3.54Å; R339-L345 WeakPolarHBondContact O-CA 3.16Å; R339-L346 HydrophobicContact CB-CD1 3.78Å; R339-L346 HydrophobicContact CB-CG 3.91Å; R339-L346 HydrophobicContact CG-CD1 3.8Å; R339-L346 HydrophobicContact CG-CD2 4.38Å; R339-L346 HydrophobicContact CG-CG 3.97Å; R339-L346 PolarHBondContact O-N 3.26Å
340	K	98.6	Very high	98.6	Very high	132 Å²	132	73.8 Å²	73.8	57%	0.574	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.9	174.6	-65.8	-174	179	-175.3	0	112.9	K344 L345	K340-K344 CarbonylContact C-O 3.58Å; K340-K344 WeakPolarHBondContact CA-O 3.35Å; K340-K344 WeakPolarHBondContact CB-O 3.42Å; K340-L345 HydrophobicContact CD-CD2 4.33Å; K340-L345 HydrophobicContact CG-CD2 3.72Å; K340-L345 HydrophobicContact CG-CG 4.38Å
341	T	98.3	Very high	98.6	Very high	47 Å²	47	75.4 Å²	75.4	29%	0.288	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.6	166.5	60.1	0	0	0	0	108.8	G343 K344 L346 H349	T341-G343 PolarHBondContact O-N 2.82Å; T341-G343 VanDerWaalsContact O-N 3.08Å; T341-K344 PolarHBondContact N-O 3.15Å; T341-K344 PolarHBondContact O-N 2.72Å; T341-K344 VanDerWaalsContact O-N 3.09Å; T341-K344 VanDerWaalsContact O-O 3.08Å; T341-L346 HydrophobicContact CG2-CD2 3.83Å; T341-L346 WeakPolarHBondContact OG1-CD2 3.39Å; T341-H349 PolarHBondContact O-NE2 3.37Å; T341-H349 PolarHBondContact OG1-NE2 3.04Å
342	F	98	Very high	98.6	Very high	196 Å²	196	75.3 Å²	75.3	86%	0.86	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	35.7	-177.7	-52.6	-79.2	0	0	0	113.4	K344	F342-K344 VanDerWaalsContact C-N 3.31Å; F342-K344 PolarHBondContact O-N 2.87Å
343	G	98	Very high	98.5	Very high	73 Å²	73	77.3 Å²	77.3	75%	0.753	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-2	177.7	0	0	0	0	0	116.5	T341	T341-G343 PolarHBondContact O-N 2.82Å; T341-G343 VanDerWaalsContact O-N 3.08Å
344	K	98.3	Very high	98.5	Very high	108 Å²	108	81 Å²	81	47%	0.47	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157.6	-177.6	-61.7	-173.5	-179.1	-175.6	0	112	K340 T341 F342 E348	K340-K344 CarbonylContact C-O 3.58Å; K340-K344 WeakPolarHBondContact CA-O 3.35Å; K340-K344 WeakPolarHBondContact CB-O 3.42Å; T341-K344 PolarHBondContact N-O 3.15Å; T341-K344 PolarHBondContact O-N 2.72Å; T341-K344 VanDerWaalsContact O-N 3.09Å; T341-K344 VanDerWaalsContact O-O 3.08Å; F342-K344 VanDerWaalsContact C-N 3.31Å; F342-K344 PolarHBondContact O-N 2.87Å; K344-E348 HydrophobicContact CB-CB 4.04Å; K344-E348 HydrophobicContact CD-CB 4.19Å
345	L	98.7	Very high	98.5	Very high	42 Å²	42	78.8 Å²	78.8	22%	0.22	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	151.2	168.4	-66.6	172.3	0	0	0	110	L337 R339 K340 I347 E348	L337-L345 VanDerWaalsContact O-CD2 3.27Å; L337-L345 WeakPolarHBondContact O-CD2 3.37Å; R339-L345 CarbonylContact O-C 3.54Å; R339-L345 WeakPolarHBondContact O-CA 3.16Å; K340-L345 HydrophobicContact CD-CD2 4.33Å; K340-L345 HydrophobicContact CG-CD2 3.72Å; K340-L345 HydrophobicContact CG-CG 4.38Å; L345-I347 HydrophobicContact CB-CG2 3.87Å; L345-I347 HydrophobicContact CD1-CG2 4.4Å; L345-I347 PolarHBondContact O-N 3.04Å; L345-E348 HydrophobicContact CB-CG 4.23Å; L345-E348 WeakPolarHBondContact CB-OE1 3.47Å; L345-E348 PolarHBondContact N-OE1 3Å; L345-E348 WeakPolarHBondContact O-CB 3.44Å; L345-E348 PolarHBondContact O-N 3.07Å
346	L	98.8	Very high	98.5	Very high	15 Å²	15	78.3 Å²	78.3	8%	0.079	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-58.9	-36.9	179.2	-64.9	-175.2	0	0	0	111.7	Y335 A336 R339 T341 E348 H349 I352	Y335-L346 HydrophobicContact CD1-CD1 4.15Å; Y335-L346 HydrophobicContact CE1-CD1 4.1Å; A336-L346 HydrophobicContact CB-CB 4Å; A336-L346 PolarHBondContact O-N 3.42Å; R339-L346 HydrophobicContact CB-CD1 3.78Å; R339-L346 HydrophobicContact CB-CG 3.91Å; R339-L346 HydrophobicContact CG-CD1 3.8Å; R339-L346 HydrophobicContact CG-CD2 4.38Å; R339-L346 HydrophobicContact CG-CG 3.97Å; R339-L346 PolarHBondContact O-N 3.26Å; T341-L346 HydrophobicContact CG2-CD2 3.83Å; T341-L346 WeakPolarHBondContact OG1-CD2 3.39Å; L346-E348 PolarHBondContact O-N 2.88Å; L346-E348 VanDerWaalsContact O-N 3.12Å; L346-H349 WeakPolarHBondContact O-CB 3.46Å; L346-H349 PolarHBondContact O-N 3.14Å; L346-I352 HydrophobicContact CB-CG2 4.35Å; L346-I352 VanDerWaalsContact O-CB 3.3Å; L346-I352 WeakPolarHBondContact O-CB 3.13Å
347	I	97.9	Very high	98.5	Very high	50 Å²	50	80.7 Å²	80.7	26%	0.256	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-58.5	-23.2	177.9	-165.8	61.1	0	0	0	113.6	A336 L337 L345 H349 S353 L356	A336-I347 PolarHBondContact O-N 3.1Å; A336-I347 VanDerWaalsContact O-N 3.14Å; L337-I347 HydrophobicContact CD2-CB 4.48Å; L337-I347 HydrophobicContact CD2-CG2 4.08Å; L345-I347 HydrophobicContact CB-CG2 3.87Å; L345-I347 HydrophobicContact CD1-CG2 4.4Å; L345-I347 PolarHBondContact O-N 3.04Å; I347-H349 VanDerWaalsContact C-N 3.34Å; I347-S353 PolarHBondContact O-OG 3.5Å; I347-L356 HydrophobicContact CD1-CD1 3.28Å
348	E	98.5	Very high	98.5	Very high	102 Å²	102	80.8 Å²	80.8	48%	0.477	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-83.1	-11.4	179.6	-62.3	176	-109.3	0	0	112.9	K344 L345 L346 Q350	K344-E348 HydrophobicContact CB-CB 4.04Å; K344-E348 HydrophobicContact CD-CB 4.19Å; L345-E348 HydrophobicContact CB-CG 4.23Å; L345-E348 WeakPolarHBondContact CB-OE1 3.47Å; L345-E348 PolarHBondContact N-OE1 3Å; L345-E348 WeakPolarHBondContact O-CB 3.44Å; L345-E348 PolarHBondContact O-N 3.07Å; L346-E348 PolarHBondContact O-N 2.88Å; L346-E348 VanDerWaalsContact O-N 3.12Å; E348-Q350 PolarHBondContact O-N 2.87Å
349	H	98.8	Very high	98.6	Very high	47 Å²	47	73.7 Å²	73.7	22%	0.218	38%	0.383	C	S	.	.	S	Bend	trans	-82.1	115.3	171.7	-60.1	-53.1	0	0	0	108.6	T341 L346 I347 A351 I352 S353	T341-H349 PolarHBondContact O-NE2 3.37Å; T341-H349 PolarHBondContact OG1-NE2 3.04Å; L346-H349 WeakPolarHBondContact O-CB 3.46Å; L346-H349 PolarHBondContact O-N 3.14Å; I347-H349 VanDerWaalsContact C-N 3.34Å; H349-A351 PolarHBondContact O-N 3.43Å; H349-I352 HydrophobicContact CB-CG1 4.12Å; H349-I352 WeakPolarHBondContact O-CA 3.41Å; H349-I352 WeakPolarHBondContact O-CB 3.31Å; H349-I352 PolarHBondContact O-N 2.93Å; H349-S353 PolarHBondContact O-N 3.21Å; H349-S353 VanDerWaalsContact O-N 3.13Å; H349-S353 PolarHBondContact O-OG 3.21Å
350	Q	98.6	Very high	98.6	Very high	135 Å²	135	69.5 Å²	69.5	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-51.4	-37	-173.2	-172.9	176.9	44.2	0	0	113.8	E348 I352 S353 F354	E348-Q350 PolarHBondContact O-N 2.87Å; Q350-I352 VanDerWaalsContact C-N 3.32Å; Q350-I352 PolarHBondContact O-N 3.37Å; Q350-S353 PolarHBondContact O-N 2.86Å; Q350-F354 HydrophobicContact CG-CD1 4.07Å; Q350-F354 HydrophobicContact CG-CE1 3.69Å; Q350-F354 HydrophobicContact CG-CE2 4.22Å; Q350-F354 HydrophobicContact CG-CZ 3.78Å; Q350-F354 WeakPolarHBondContact O-CB 3.49Å; Q350-F354 WeakPolarHBondContact O-CD1 3.5Å; Q350-F354 WeakPolarHBondContact O-CG 3.4Å; Q350-F354 PolarHBondContact O-N 3.31Å
351	A	98.6	Very high	98.6	Very high	71 Å²	71	69 Å²	69	59%	0.587	38%	0.377	S	S	*	.	H	α-helix	trans	-60	-40.2	176	0	0	0	0	0	112.5	H349 M355	H349-A351 PolarHBondContact O-N 3.43Å; A351-M355 WeakPolarHBondContact O-CG 3.47Å; A351-M355 PolarHBondContact O-N 3.24Å; A351-M355 VanDerWaalsContact O-N 3.1Å
352	I	98.8	Very high	98.6	Very high	29 Å²	29	68.3 Å²	68.3	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-42.5	176.4	-58.5	-60.9	0	0	0	110.5	A336 L346 H349 Q350 F354 M355 L356 I408	A336-I352 HydrophobicContact CB-CG2 4.24Å; L346-I352 HydrophobicContact CB-CG2 4.35Å; L346-I352 VanDerWaalsContact O-CB 3.3Å; L346-I352 WeakPolarHBondContact O-CB 3.13Å; H349-I352 HydrophobicContact CB-CG1 4.12Å; H349-I352 WeakPolarHBondContact O-CA 3.41Å; H349-I352 WeakPolarHBondContact O-CB 3.31Å; H349-I352 PolarHBondContact O-N 2.93Å; Q350-I352 VanDerWaalsContact C-N 3.32Å; Q350-I352 PolarHBondContact O-N 3.37Å; I352-F354 VanDerWaalsContact C-N 3.27Å; I352-F354 PolarHBondContact O-N 3.4Å; I352-M355 HydrophobicContact CD1-SD 4.38Å; I352-M355 PolarHBondContact O-N 3.17Å; I352-L356 HydrophobicContact CG2-CD1 4.12Å; I352-L356 WeakPolarHBondContact O-CG 3.48Å; I352-L356 PolarHBondContact O-N 3.37Å; I352-I408 HydrophobicContact CD1-CG1 4.38Å
353	S	98.1	Very high	98.7	Very high	41 Å²	41	59 Å²	59	29%	0.287	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-38.3	177	-28.7	0	0	0	0	111.5	I347 H349 Q350 L356 A357	I347-S353 PolarHBondContact O-OG 3.5Å; H349-S353 PolarHBondContact O-N 3.21Å; H349-S353 VanDerWaalsContact O-N 3.13Å; H349-S353 PolarHBondContact O-OG 3.21Å; Q350-S353 PolarHBondContact O-N 2.86Å; S353-L356 PolarHBondContact O-N 3.17Å; S353-A357 WeakPolarHBondContact O-CB 3.41Å; S353-A357 PolarHBondContact O-N 3.13Å
354	F	98.8	Very high	98.7	Very high	124 Å²	124	60.1 Å²	60.1	54%	0.544	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-43.8	175.6	-77.8	9.7	0	0	0	112	Q350 I352 L356 A357 E358	Q350-F354 HydrophobicContact CG-CD1 4.07Å; Q350-F354 HydrophobicContact CG-CE1 3.69Å; Q350-F354 HydrophobicContact CG-CE2 4.22Å; Q350-F354 HydrophobicContact CG-CZ 3.78Å; Q350-F354 WeakPolarHBondContact O-CB 3.49Å; Q350-F354 WeakPolarHBondContact O-CD1 3.5Å; Q350-F354 WeakPolarHBondContact O-CG 3.4Å; Q350-F354 PolarHBondContact O-N 3.31Å; I352-F354 VanDerWaalsContact C-N 3.27Å; I352-F354 PolarHBondContact O-N 3.4Å; F354-L356 PolarHBondContact O-N 2.89Å; F354-A357 PolarHBondContact O-N 3.02Å; F354-E358 PolarHBondContact O-N 3.14Å
355	M	98.8	Very high	98.7	Very high	47 Å²	47	59.2 Å²	59.2	23%	0.232	32%	0.315	C	S	.	.	H	α-helix	trans	-56.4	-50.7	173.6	-70.9	176.6	71.4	0	0	110.9	A351 I352 A357 E358 M359 D404 Q407 I408	A351-M355 WeakPolarHBondContact O-CG 3.47Å; A351-M355 PolarHBondContact O-N 3.24Å; A351-M355 VanDerWaalsContact O-N 3.1Å; I352-M355 HydrophobicContact CD1-SD 4.38Å; I352-M355 PolarHBondContact O-N 3.17Å; M355-A357 VanDerWaalsContact C-N 3.31Å; M355-A357 PolarHBondContact O-N 2.87Å; M355-E358 PolarHBondContact O-N 3.42Å; M355-M359 WeakPolarHBondContact O-CG 3.41Å; M355-M359 PolarHBondContact O-N 3.31Å; M355-D404 HydrophobicContact CE-CB 3.9Å; M355-Q407 HydrophobicContact CE-CB 4.28Å; M355-Q407 HydrophobicContact CE-CG 4.19Å; M355-I408 HydrophobicContact CB-CD1 4.4Å; M355-I408 HydrophobicContact CE-CD1 4.32Å; M355-I408 HydrophobicContact CE-CG1 4.05Å; M355-I408 HydrophobicContact SD-CG1 4.46Å
356	L	98.9	Very high	98.7	Very high	13 Å²	13	57.2 Å²	57.2	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-37.1	179.6	-69.4	170.5	0	0	0	112.7	L329 A332 A336 I347 I352 S353 F354 M359 A360 I408	L329-L356 HydrophobicContact CD1-CD2 4.03Å; A332-L356 HydrophobicContact CB-CD2 4.15Å; A336-L356 HydrophobicContact CB-CD1 4.2Å; I347-L356 HydrophobicContact CD1-CD1 3.28Å; I352-L356 HydrophobicContact CG2-CD1 4.12Å; I352-L356 WeakPolarHBondContact O-CG 3.48Å; I352-L356 PolarHBondContact O-N 3.37Å; S353-L356 PolarHBondContact O-N 3.17Å; F354-L356 PolarHBondContact O-N 2.89Å; L356-M359 HydrophobicContact CD2-SD 4.07Å; L356-M359 PolarHBondContact O-N 3.13Å; L356-A360 WeakPolarHBondContact O-CB 3.42Å; L356-A360 PolarHBondContact O-N 3.15Å; L356-I408 HydrophobicContact CD2-CD1 3.87Å; L356-I408 HydrophobicContact CG-CD1 4.2Å
357	A	98.9	Very high	98.8	Very high	50 Å²	50	57.9 Å²	57.9	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-46.6	174.4	0	0	0	0	0	111.8	S353 F354 M355 M359 A360 M361	S353-A357 WeakPolarHBondContact O-CB 3.41Å; S353-A357 PolarHBondContact O-N 3.13Å; F354-A357 PolarHBondContact O-N 3.02Å; M355-A357 VanDerWaalsContact C-N 3.31Å; M355-A357 PolarHBondContact O-N 2.87Å; A357-M359 VanDerWaalsContact C-N 3.35Å; A357-M359 PolarHBondContact O-N 3.15Å; A357-A360 PolarHBondContact O-N 2.78Å; A357-M361 VanDerWaalsContact O-CG 3.29Å; A357-M361 WeakPolarHBondContact O-CG 3.31Å; A357-M361 PolarHBondContact O-N 2.96Å
358	E	98.9	Very high	98.8	Very high	98 Å²	98	59.2 Å²	59.2	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-39.1	176.2	-73.6	-170.6	-163.4	0	0	112.7	F354 M355 M361 K362	F354-E358 PolarHBondContact O-N 3.14Å; M355-E358 PolarHBondContact O-N 3.42Å; E358-M361 PolarHBondContact O-N 3.39Å; E358-K362 WeakPolarHBondContact O-CB 3.27Å; E358-K362 WeakPolarHBondContact O-CD 3.47Å; E358-K362 VanDerWaalsContact O-CG 3.25Å; E358-K362 WeakPolarHBondContact O-CG 3.39Å; E358-K362 PolarHBondContact O-N 2.83Å; E358-K362 IonicContact OE2-NZ 3.98Å; E358-K362 PolarHBondContact OE2-NZ 3.42Å; E358-K362 VanDerWaalsContact OE2-NZ 3.13Å
359	M	98.9	Very high	98.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-49.3	175.7	-67.3	172.9	72.8	0	0	110.2	L329 A332 M355 L356 A357 M361 K362 V363 L401 D404 A405 I408	L329-M359 HydrophobicContact CB-CE 4.24Å; L329-M359 HydrophobicContact CD1-CB 3.8Å; L329-M359 HydrophobicContact CD1-CE 4.25Å; L329-M359 HydrophobicContact CD1-SD 4.47Å; A332-M359 HydrophobicContact CB-CE 4.16Å; M355-M359 WeakPolarHBondContact O-CG 3.41Å; M355-M359 PolarHBondContact O-N 3.31Å; L356-M359 HydrophobicContact CD2-SD 4.07Å; L356-M359 PolarHBondContact O-N 3.13Å; A357-M359 VanDerWaalsContact C-N 3.35Å; A357-M359 PolarHBondContact O-N 3.15Å; M359-M361 PolarHBondContact O-N 3.37Å; M359-K362 PolarHBondContact O-N 3.15Å; M359-V363 WeakPolarHBondContact O-CG2 3.31Å; M359-V363 PolarHBondContact O-N 2.83Å; M359-L401 HydrophobicContact CB-CD1 4.3Å; M359-L401 HydrophobicContact CB-CD2 4.02Å; M359-L401 HydrophobicContact CB-CG 3.88Å; M359-L401 HydrophobicContact CE-CB 4.24Å; M359-L401 HydrophobicContact CE-CG 4.01Å; M359-L401 HydrophobicContact CG-CD1 4.19Å; M359-L401 HydrophobicContact CG-CD2 4.5Å; M359-L401 HydrophobicContact CG-CG 3.83Å; M359-D404 HydrophobicContact CE-CB 4.41Å; M359-D404 HydrophobicContact CG-CB 4.37Å; M359-D404 HydrophobicContact SD-CB 3.98Å; M359-A405 HydrophobicContact CE-CB 4.41Å; M359-I408 HydrophobicContact SD-CD1 3.94Å
360	A	98.9	Very high	98.8	Very high	40 Å²	40	53.4 Å²	53.4	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-46.6	177.6	0	0	0	0	0	112.4	L329 L356 A357 K362 V363 E364	L329-A360 HydrophobicContact CD2-CB 4.17Å; L356-A360 WeakPolarHBondContact O-CB 3.42Å; L356-A360 PolarHBondContact O-N 3.15Å; A357-A360 PolarHBondContact O-N 2.78Å; A360-K362 VanDerWaalsContact C-N 3.32Å; A360-K362 PolarHBondContact O-N 3.14Å; A360-V363 PolarHBondContact O-N 2.82Å; A360-E364 PolarHBondContact O-N 2.84Å; A360-E364 VanDerWaalsContact O-N 3.11Å
361	M	98.9	Very high	98.8	Very high	121 Å²	121	48.2 Å²	48.2	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-55.3	-47	176	-72	167.9	59.6	0	0	111.8	A357 E358 M359 E364 L365	A357-M361 VanDerWaalsContact O-CG 3.29Å; A357-M361 WeakPolarHBondContact O-CG 3.31Å; A357-M361 PolarHBondContact O-N 2.96Å; E358-M361 PolarHBondContact O-N 3.39Å; M359-M361 PolarHBondContact O-N 3.37Å; M361-E364 PolarHBondContact O-N 2.58Å; M361-L365 WeakPolarHBondContact O-CB 3.38Å; M361-L365 WeakPolarHBondContact O-CD1 3.27Å; M361-L365 WeakPolarHBondContact O-CG 3.18Å; M361-L365 PolarHBondContact O-N 2.91Å
362	K	98.9	Very high	98.8	Very high	32 Å²	32	49.1 Å²	49.1	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-40.1	-177.9	-72.8	166.1	-166.3	163.6	0	112.1	E358 M359 A360 A366 I397 Q400 L401	E358-K362 WeakPolarHBondContact O-CB 3.27Å; E358-K362 WeakPolarHBondContact O-CD 3.47Å; E358-K362 VanDerWaalsContact O-CG 3.25Å; E358-K362 WeakPolarHBondContact O-CG 3.39Å; E358-K362 PolarHBondContact O-N 2.83Å; E358-K362 IonicContact OE2-NZ 3.98Å; E358-K362 PolarHBondContact OE2-NZ 3.42Å; E358-K362 VanDerWaalsContact OE2-NZ 3.13Å; M359-K362 PolarHBondContact O-N 3.15Å; A360-K362 VanDerWaalsContact C-N 3.32Å; A360-K362 PolarHBondContact O-N 3.14Å; K362-A366 VanDerWaalsContact O-CB 3.27Å; K362-A366 WeakPolarHBondContact O-CB 3.29Å; K362-A366 PolarHBondContact O-N 2.94Å; K362-I397 HydrophobicContact CB-CB 4.05Å; K362-I397 HydrophobicContact CB-CG2 3.91Å; K362-I397 HydrophobicContact CD-CG2 4.28Å; K362-I397 HydrophobicContact CG-CG2 4.05Å; K362-Q400 VanDerWaalsContact NZ-NE2 3.15Å; K362-L401 HydrophobicContact CB-CD1 4.07Å; K362-L401 HydrophobicContact CD-CD1 3.86Å
363	V	98.9	Very high	98.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-50.4	176.8	173.7	0	0	0	0	110.9	V322 A325 Q326 L329 M359 A360 L365 A366 R367 L401	V322-V363 HydrophobicContact CG1-CG1 4.24Å; A325-V363 HydrophobicContact CB-CG2 4.12Å; Q326-V363 HydrophobicContact CB-CG1 4.42Å; Q326-V363 VanDerWaalsContact OE1-CG1 3.29Å; L329-V363 HydrophobicContact CD2-CG2 4.17Å; M359-V363 WeakPolarHBondContact O-CG2 3.31Å; M359-V363 PolarHBondContact O-N 2.83Å; A360-V363 PolarHBondContact O-N 2.82Å; V363-L365 PolarHBondContact O-N 3.17Å; V363-A366 PolarHBondContact O-N 2.71Å; V363-R367 WeakPolarHBondContact O-CB 3.38Å; V363-R367 PolarHBondContact O-N 3.28Å; V363-L401 HydrophobicContact CG2-CD2 3.23Å
364	E	98.9	Very high	98.9	Very high	97 Å²	97	45.8 Å²	45.8	45%	0.453	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-40.6	-178.1	-65	-56.2	161.6	0	0	112.4	A360 M361 A366 R367 M368	A360-E364 PolarHBondContact O-N 2.84Å; A360-E364 VanDerWaalsContact O-N 3.11Å; M361-E364 PolarHBondContact O-N 2.58Å; E364-A366 PolarHBondContact O-N 3.24Å; E364-R367 PolarHBondContact O-N 2.91Å; E364-R367 IonicContact OE1-NH1 2.84Å; E364-R367 PolarHBondContact OE1-NH1 3.06Å; E364-R367 VanDerWaalsContact OE1-NH1 3.12Å; E364-R367 IonicContact OE2-NH1 3.23Å; E364-R367 PolarHBondContact OE2-NH1 2.83Å; E364-M368 WeakPolarHBondContact O-CE 3.43Å; E364-M368 WeakPolarHBondContact O-CG 3.32Å; E364-M368 PolarHBondContact O-N 2.77Å
365	L	98.9	Very high	98.9	Very high	90 Å²	90	46 Å²	46	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-63	-42.1	175.4	-70	169.8	0	0	0	111.9	M361 V363 M368 S369 F393	M361-L365 WeakPolarHBondContact O-CB 3.38Å; M361-L365 WeakPolarHBondContact O-CD1 3.27Å; M361-L365 WeakPolarHBondContact O-CG 3.18Å; M361-L365 PolarHBondContact O-N 2.91Å; V363-L365 PolarHBondContact O-N 3.17Å; L365-M368 HydrophobicContact CD2-CE 4.1Å; L365-S369 PolarHBondContact O-N 3.23Å; L365-S369 VanDerWaalsContact O-N 3.08Å; L365-F393 HydrophobicContact CB-CE1 3.74Å; L365-F393 HydrophobicContact CB-CZ 4.08Å; L365-F393 HydrophobicContact CD1-CZ 4.5Å
366	A	98.9	Very high	98.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-39.5	178.6	0	0	0	0	0	111.5	V322 K362 V363 E364 S369 Y370 F393 A394 I397	V322-A366 HydrophobicContact CG2-CB 3.62Å; K362-A366 VanDerWaalsContact O-CB 3.27Å; K362-A366 WeakPolarHBondContact O-CB 3.29Å; K362-A366 PolarHBondContact O-N 2.94Å; V363-A366 PolarHBondContact O-N 2.71Å; E364-A366 PolarHBondContact O-N 3.24Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 3.33Å; A366-S369 PolarHBondContact O-OG 3.43Å; A366-Y370 PolarHBondContact O-N 2.94Å; A366-F393 HydrophobicContact CB-CD1 3.78Å; A366-F393 HydrophobicContact CB-CE1 3.87Å; A366-A394 HydrophobicContact CB-CB 4.22Å; A366-I397 HydrophobicContact CB-CD1 3.82Å; A366-I397 HydrophobicContact CB-CG1 3.86Å
367	R	98.9	Very high	98.8	Very high	28 Å²	28	44.6 Å²	44.6	11%	0.106	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-52.3	175.2	-174.5	172	-64.5	112.3	-0.3	112	E143 V322 V363 E364 S369 Y370 Q371	E143-R367 IonicContact OE1-CZ 3.36Å; E143-R367 VanDerWaalsContact OE1-CZ 3.23Å; E143-R367 IonicContact OE1-NE 2.67Å; E143-R367 PolarHBondContact OE1-NE 3.05Å; E143-R367 IonicContact OE1-NH2 2.95Å; E143-R367 PolarHBondContact OE1-NH2 2.94Å; E143-R367 IonicContact OE2-NE 3.66Å; E143-R367 PolarHBondContact OE2-NE 2.87Å; V322-R367 HydrophobicContact CG1-CB 4.1Å; V363-R367 WeakPolarHBondContact O-CB 3.38Å; V363-R367 PolarHBondContact O-N 3.28Å; E364-R367 PolarHBondContact O-N 2.91Å; E364-R367 IonicContact OE1-NH1 2.84Å; E364-R367 PolarHBondContact OE1-NH1 3.06Å; E364-R367 VanDerWaalsContact OE1-NH1 3.12Å; E364-R367 IonicContact OE2-NH1 3.23Å; E364-R367 PolarHBondContact OE2-NH1 2.83Å; R367-S369 PolarHBondContact O-N 2.91Å; R367-Y370 VanDerWaalsContact CA-CE1 3.44Å; R367-Y370 HydrophobicContact CB-CE1 4.03Å; R367-Y370 HydrophobicContact CG-CE1 3.67Å; R367-Y370 VanDerWaalsContact O-CD1 3.23Å; R367-Y370 WeakPolarHBondContact O-CD1 3.4Å; R367-Y370 WeakPolarHBondContact O-CE1 3.3Å; R367-Y370 PolarHBondContact O-N 2.88Å; R367-Q371 VanDerWaalsContact O-CG 3.3Å; R367-Q371 WeakPolarHBondContact O-CG 3.4Å; R367-Q371 PolarHBondContact O-N 3.23Å; R367-Q371 VanDerWaalsContact O-N 3.07Å
368	M	98.9	Very high	98.8	Very high	78 Å²	78	45.3 Å²	45.3	38%	0.384	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-33.1	177	-71.8	-174.3	-74.5	0	0	112.6	F39 E364 L365 Q371 R372	F39-M368 HydrophobicContact CE1-CG 4.48Å; F39-M368 HydrophobicContact CE1-SD 4.23Å; E364-M368 WeakPolarHBondContact O-CE 3.43Å; E364-M368 WeakPolarHBondContact O-CG 3.32Å; E364-M368 PolarHBondContact O-N 2.77Å; L365-M368 HydrophobicContact CD2-CE 4.1Å; M368-Q371 PolarHBondContact O-N 3.03Å; M368-R372 WeakPolarHBondContact O-CB 3.42Å; M368-R372 PolarHBondContact O-N 2.8Å
369	S	98.9	Very high	98.7	Very high	21 Å²	21	42.9 Å²	42.9	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-43.7	179.7	79	0	0	0	0	112.9	L365 A366 R367 A373 A390	L365-S369 PolarHBondContact O-N 3.23Å; L365-S369 VanDerWaalsContact O-N 3.08Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 3.33Å; A366-S369 PolarHBondContact O-OG 3.43Å; R367-S369 PolarHBondContact O-N 2.91Å; S369-A373 PolarHBondContact O-N 3.24Å; S369-A373 VanDerWaalsContact O-N 3.13Å; S369-A390 WeakPolarHBondContact OG-CA 3.26Å
370	Y	98.8	Very high	98.6	Very high	6 Å²	6	46.3 Å²	46.3	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-73.2	-35.8	176.8	83.1	-110.3	0	0	0	110.9	C139 E143 V322 A366 R367 R372 A373 A374	C139-Y370 HydrophobicContact CB-CD2 3.58Å; C139-Y370 HydrophobicContact CB-CE2 3.51Å; E143-Y370 WeakPolarHBondContact OE2-CE1 3.17Å; E143-Y370 VanDerWaalsContact OE2-CZ 3.31Å; E143-Y370 PolarHBondContact OE2-OH 2.98Å; V322-Y370 HydrophobicContact CB-CD1 4.43Å; V322-Y370 HydrophobicContact CB-CE1 4.25Å; V322-Y370 HydrophobicContact CG1-CE1 4.31Å; V322-Y370 HydrophobicContact CG2-CD1 3.94Å; V322-Y370 HydrophobicContact CG2-CE1 4.19Å; A366-Y370 PolarHBondContact O-N 2.94Å; R367-Y370 VanDerWaalsContact CA-CE1 3.44Å; R367-Y370 HydrophobicContact CB-CE1 4.03Å; R367-Y370 HydrophobicContact CG-CE1 3.67Å; R367-Y370 VanDerWaalsContact O-CD1 3.23Å; R367-Y370 WeakPolarHBondContact O-CD1 3.4Å; R367-Y370 WeakPolarHBondContact O-CE1 3.3Å; R367-Y370 PolarHBondContact O-N 2.88Å; Y370-R372 VanDerWaalsContact C-N 3.29Å; Y370-R372 PolarHBondContact O-N 2.85Å; Y370-A373 PolarHBondContact O-N 3.09Å; Y370-A373 VanDerWaalsContact O-N 3.14Å; Y370-A374 WeakPolarHBondContact O-CB 3.49Å; Y370-A374 PolarHBondContact O-N 3.39Å
371	Q	98.9	Very high	98.5	Very high	26 Å²	26	49.5 Å²	49.5	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-43.8	175.7	-74.7	173.9	-12.8	0	0	110.7	F136 R367 M368 A374 W375	F136-Q371 HydrophobicContact CE2-CB 3.83Å; F136-Q371 HydrophobicContact CE2-CG 4.02Å; F136-Q371 HydrophobicContact CZ-CB 4.35Å; F136-Q371 HydrophobicContact CZ-CG 4.08Å; R367-Q371 VanDerWaalsContact O-CG 3.3Å; R367-Q371 WeakPolarHBondContact O-CG 3.4Å; R367-Q371 PolarHBondContact O-N 3.23Å; R367-Q371 VanDerWaalsContact O-N 3.07Å; M368-Q371 PolarHBondContact O-N 3.03Å; Q371-A374 PolarHBondContact O-N 3.42Å; Q371-W375 VanDerWaalsContact O-CB 3.32Å; Q371-W375 WeakPolarHBondContact O-CB 3.48Å; Q371-W375 PolarHBondContact O-N 2.76Å
372	R	98.8	Very high	98.4	Very high	91 Å²	91	50.9 Å²	50.9	34%	0.343	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-47.2	173.6	177	55.3	179.8	-106.7	8.5	111.6	M368 Y370 A374 W375 E376 Y386	M368-R372 WeakPolarHBondContact O-CB 3.42Å; M368-R372 PolarHBondContact O-N 2.8Å; Y370-R372 VanDerWaalsContact C-N 3.29Å; Y370-R372 PolarHBondContact O-N 2.85Å; R372-A374 PolarHBondContact O-N 2.99Å; R372-W375 PolarHBondContact O-N 3.15Å; R372-E376 IonicContact CZ-OE1 3.13Å; R372-E376 IonicContact NE-OE1 3.56Å; R372-E376 PolarHBondContact NE-OE1 3.36Å; R372-E376 IonicContact NH2-OE1 2.72Å; R372-E376 PolarHBondContact NH2-OE1 3.07Å; R372-E376 WeakPolarHBondContact O-CG 3.38Å; R372-E376 PolarHBondContact O-N 2.84Å; R372-Y386 HydrophobicContact CG-CD1 3.86Å; R372-Y386 HydrophobicContact CG-CE1 4.19Å; R372-Y386 HydrophobicContact CG-CG 4.15Å; R372-Y386 PolarHBondContact NH2-OH 2.82Å
373	A	98.8	Very high	98.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-42.8	-179.4	0	0	0	0	0	112.5	P315 S369 Y370 E376 V377 N383 A387 A390	P315-A373 HydrophobicContact CB-CB 4.33Å; P315-A373 HydrophobicContact CG-CB 3.95Å; S369-A373 PolarHBondContact O-N 3.24Å; S369-A373 VanDerWaalsContact O-N 3.13Å; Y370-A373 PolarHBondContact O-N 3.09Å; Y370-A373 VanDerWaalsContact O-N 3.14Å; A373-E376 PolarHBondContact O-N 3.41Å; A373-V377 PolarHBondContact O-N 2.82Å; A373-N383 PolarHBondContact O-ND2 2.92Å; A373-A387 HydrophobicContact CB-CB 4.3Å; A373-A390 HydrophobicContact CB-CB 4.32Å
374	A	98.8	Very high	98.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-47.4	178	0	0	0	0	0	111.8	T135 F136 P315 Y370 Q371 R372 E376 V377 D378	T135-A374 HydrophobicContact CG2-CB 4.01Å; F136-A374 HydrophobicContact CB-CB 4.13Å; F136-A374 HydrophobicContact CD2-CB 4.14Å; P315-A374 HydrophobicContact CB-CB 4.16Å; Y370-A374 WeakPolarHBondContact O-CB 3.49Å; Y370-A374 PolarHBondContact O-N 3.39Å; Q371-A374 PolarHBondContact O-N 3.42Å; R372-A374 PolarHBondContact O-N 2.99Å; A374-E376 VanDerWaalsContact C-N 3.28Å; A374-E376 PolarHBondContact O-N 3.06Å; A374-V377 WeakPolarHBondContact O-CG1 3.34Å; A374-V377 PolarHBondContact O-N 2.84Å; A374-D378 PolarHBondContact O-N 2.89Å
375	W	98.7	Very high	98.4	Very high	127 Å²	127	47.5 Å²	47.5	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-37.2	177.1	176.6	83.2	0	0	0	112.9	F136 Q371 R372 S379	F136-W375 HydrophobicContact CD2-CB 4.3Å; Q371-W375 VanDerWaalsContact O-CB 3.32Å; Q371-W375 WeakPolarHBondContact O-CB 3.48Å; Q371-W375 PolarHBondContact O-N 2.76Å; R372-W375 PolarHBondContact O-N 3.15Å; W375-S379 VanDerWaalsContact O-CB 3.29Å; W375-S379 WeakPolarHBondContact O-CB 3.49Å; W375-S379 PolarHBondContact O-N 3.02Å; W375-S379 PolarHBondContact O-OG 3.07Å
376	E	98.6	Very high	98.4	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-45.5	177.9	-73.5	-76.7	-171.3	0	0	112.5	R372 A373 A374 S379 R381 N383 Y386	R372-E376 IonicContact CZ-OE1 3.13Å; R372-E376 IonicContact NE-OE1 3.56Å; R372-E376 PolarHBondContact NE-OE1 3.36Å; R372-E376 IonicContact NH2-OE1 2.72Å; R372-E376 PolarHBondContact NH2-OE1 3.07Å; R372-E376 WeakPolarHBondContact O-CG 3.38Å; R372-E376 PolarHBondContact O-N 2.84Å; A373-E376 PolarHBondContact O-N 3.41Å; A374-E376 VanDerWaalsContact C-N 3.28Å; A374-E376 PolarHBondContact O-N 3.06Å; E376-S379 PolarHBondContact O-N 3.08Å; E376-R381 CarbonylContact C-O 3.5Å; E376-R381 WeakPolarHBondContact O-CB 3.45Å; E376-R381 PolarHBondContact O-N 3.29Å; E376-R381 IonicContact OE2-CZ 3.24Å; E376-R381 VanDerWaalsContact OE2-CZ 3.24Å; E376-R381 IonicContact OE2-NE 2.71Å; E376-R381 PolarHBondContact OE2-NE 2.94Å; E376-R381 IonicContact OE2-NH2 2.88Å; E376-R381 PolarHBondContact OE2-NH2 2.93Å; E376-N383 HydrophobicContact CB-CB 3.65Å; E376-Y386 HydrophobicContact CB-CD2 4.5Å; E376-Y386 HydrophobicContact CG-CD2 3.68Å; E376-Y386 HydrophobicContact CG-CE2 3.98Å; E376-Y386 HydrophobicContact CG-CG 4.41Å; E376-Y386 VanDerWaalsContact OE1-CE2 3.29Å; E376-Y386 WeakPolarHBondContact OE1-CE2 3.38Å
377	V	98	Very high	98.4	Very high	20 Å²	20	46.6 Å²	46.6	12%	0.121	22%	0.224	C	C	.	.	H	α-helix	trans	-75	-34.7	-179.4	64.4	0	0	0	0	112.4	T135 K312 A373 A374 S379 G380 R381 N383	T135-V377 HydrophobicContact CG2-CG1 3.96Å; T135-V377 VanDerWaalsContact OG1-CG1 3.31Å; T135-V377 WeakPolarHBondContact OG1-CG1 3.35Å; K312-V377 HydrophobicContact CD-CG2 4.45Å; K312-V377 HydrophobicContact CG-CG2 3.66Å; A373-V377 PolarHBondContact O-N 2.82Å; A374-V377 WeakPolarHBondContact O-CG1 3.34Å; A374-V377 PolarHBondContact O-N 2.84Å; V377-S379 PolarHBondContact O-N 3.43Å; V377-G380 PolarHBondContact O-N 3.47Å; V377-R381 WeakPolarHBondContact CA-O 3.45Å; V377-N383 HydrophobicContact CB-CB 4.15Å
378	D	98.1	Very high	98.4	Very high	65 Å²	65	45.2 Å²	45.2	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-68.3	-26.9	174.1	-68.8	-12	0	0	0	111.7	T135 F136 A374 G380	T135-D378 WeakPolarHBondContact CB-OD1 3.38Å; T135-D378 VanDerWaalsContact N-CG 3.29Å; T135-D378 PolarHBondContact N-OD1 3.13Å; T135-D378 PolarHBondContact N-OD2 2.89Å; T135-D378 PolarHBondContact OG1-OD1 3.18Å; F136-D378 WeakPolarHBondContact CB-OD2 3.32Å; F136-D378 PolarHBondContact N-OD2 3.18Å; A374-D378 PolarHBondContact O-N 2.89Å; D378-G380 PolarHBondContact O-N 3.48Å
379	S	97.7	Very high	98.4	Very high	46 Å²	46	44 Å²	44	32%	0.322	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	9.5	170	-56.5	0	0	0	0	114	W375 E376 V377 R381	W375-S379 VanDerWaalsContact O-CB 3.29Å; W375-S379 WeakPolarHBondContact O-CB 3.49Å; W375-S379 PolarHBondContact O-N 3.02Å; W375-S379 PolarHBondContact O-OG 3.07Å; E376-S379 PolarHBondContact O-N 3.08Å; V377-S379 PolarHBondContact O-N 3.43Å; S379-R381 VanDerWaalsContact C-N 3.28Å; S379-R381 PolarHBondContact O-N 3.38Å; S379-R381 PolarHBondContact OG-NH2 2.96Å; S379-R381 VanDerWaalsContact OG-NH2 3.16Å
380	G	96.1	Very high	98.4	Very high	73 Å²	73	43 Å²	43	75%	0.753	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	13	179.4	0	0	0	0	0	115	V377 D378	V377-G380 PolarHBondContact O-N 3.47Å; D378-G380 PolarHBondContact O-N 3.48Å
381	R	97.9	Very high	98.4	Very high	107 Å²	107	42.9 Å²	42.9	40%	0.404	21%	0.206	S	C	.	.	S	Bend	trans	-100.2	143.7	178.1	-65.8	-176.7	-62.3	-80.1	-12.6	110.7	E376 V377 S379 N383	E376-R381 CarbonylContact C-O 3.5Å; E376-R381 WeakPolarHBondContact O-CB 3.45Å; E376-R381 PolarHBondContact O-N 3.29Å; E376-R381 IonicContact OE2-CZ 3.24Å; E376-R381 VanDerWaalsContact OE2-CZ 3.24Å; E376-R381 IonicContact OE2-NE 2.71Å; E376-R381 PolarHBondContact OE2-NE 2.94Å; E376-R381 IonicContact OE2-NH2 2.88Å; E376-R381 PolarHBondContact OE2-NH2 2.93Å; V377-R381 WeakPolarHBondContact CA-O 3.45Å; S379-R381 VanDerWaalsContact C-N 3.28Å; S379-R381 PolarHBondContact O-N 3.38Å; S379-R381 PolarHBondContact OG-NH2 2.96Å; S379-R381 VanDerWaalsContact OG-NH2 3.16Å; R381-N383 PolarHBondContact O-N 3.27Å
382	R	97.1	Very high	98.4	Very high	150 Å²	150	42 Å²	42	57%	0.566	20%	0.203	S	C	*	.			trans	-62.9	120.9	173.2	-177.9	173.5	170	-99.7	-3.8	109.4	T384 E447	R382-T384 PolarHBondContact NE-OG1 3.22Å; R382-T384 VanDerWaalsContact NH2-CB 3.29Å; R382-T384 PolarHBondContact NH2-OG1 3.32Å; R382-E447 IonicContact CZ-OE1 3.55Å; R382-E447 IonicContact CZ-OE2 3.5Å; R382-E447 IonicContact NH1-OE1 3.37Å; R382-E447 PolarHBondContact NH1-OE1 3.11Å; R382-E447 IonicContact NH1-OE2 2.72Å; R382-E447 PolarHBondContact NH1-OE2 2.95Å; R382-E447 IonicContact NH2-OE1 2.72Å; R382-E447 PolarHBondContact NH2-OE1 3.13Å; R382-E447 IonicContact NH2-OE2 3.58Å; R382-E447 PolarHBondContact NH2-OE2 3.25Å
383	N	98.4	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.			trans	-106.5	6.3	-172.1	75.6	-16.4	0	0	0	114	D311 A373 E376 V377 R381 Y385 Y386 A387	D311-N383 WeakPolarHBondContact CA-OD1 3.22Å; D311-N383 WeakPolarHBondContact CB-OD1 3.36Å; D311-N383 VanDerWaalsContact CG-OD1 3.29Å; D311-N383 PolarHBondContact O-ND2 2.97Å; D311-N383 PolarHBondContact O-OD1 3.02Å; D311-N383 VanDerWaalsContact O-OD1 3.1Å; A373-N383 PolarHBondContact O-ND2 2.92Å; E376-N383 HydrophobicContact CB-CB 3.65Å; V377-N383 HydrophobicContact CB-CB 4.15Å; R381-N383 PolarHBondContact O-N 3.27Å; N383-Y385 CarbonylContact O-C 3.51Å; N383-Y385 PolarHBondContact O-N 2.95Å; N383-Y386 PolarHBondContact O-N 3.33Å; N383-A387 PolarHBondContact O-N 3.49Å
384	T	98.4	Very high	98.4	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.055	20%	0.202	C	C	.	.	H	α-helix	trans	-45.5	-40.2	-171.2	-52.4	0	0	0	0	114.1	D311 R382 S388 I443 E447	D311-T384 VanDerWaalsContact CG-OG1 3.24Å; D311-T384 WeakPolarHBondContact OD1-CA 3.42Å; D311-T384 WeakPolarHBondContact OD1-CB 3.19Å; D311-T384 PolarHBondContact OD1-OG1 3.4Å; D311-T384 PolarHBondContact OD2-OG1 2.71Å; R382-T384 PolarHBondContact NE-OG1 3.22Å; R382-T384 VanDerWaalsContact NH2-CB 3.29Å; R382-T384 PolarHBondContact NH2-OG1 3.32Å; T384-S388 WeakPolarHBondContact O-CB 3.43Å; T384-S388 PolarHBondContact O-N 3.48Å; T384-S388 VanDerWaalsContact O-N 3.09Å; T384-S388 PolarHBondContact O-OG 3.41Å; T384-I443 HydrophobicContact CG2-CG2 3.56Å; T384-E447 HydrophobicContact CG2-CG 4.34Å
385	Y	98.8	Very high	98.4	Very high	48 Å²	48	41.2 Å²	41.2	19%	0.188	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-54.6	175.4	179.7	-106.6	0	0	0	112.5	N383 S388 I389 I444 E447 H448 K451	N383-Y385 CarbonylContact O-C 3.51Å; N383-Y385 PolarHBondContact O-N 2.95Å; Y385-S388 PolarHBondContact O-N 2.85Å; Y385-I389 HydrophobicContact CD1-CD1 3.85Å; Y385-I389 HydrophobicContact CD2-CD1 4.39Å; Y385-I389 HydrophobicContact CE1-CD1 3.35Å; Y385-I389 HydrophobicContact CE2-CD1 3.97Å; Y385-I389 HydrophobicContact CG-CD1 4.36Å; Y385-I389 VanDerWaalsContact CZ-CD1 3.42Å; Y385-I389 WeakPolarHBondContact O-CG1 3.41Å; Y385-I389 PolarHBondContact O-N 2.96Å; Y385-I444 HydrophobicContact CE2-CG2 3.98Å; Y385-E447 HydrophobicContact CD2-CB 3.74Å; Y385-E447 HydrophobicContact CG-CB 4.36Å; Y385-H448 HydrophobicContact CE2-CB 4.09Å; Y385-K451 VanDerWaalsContact CD1-NZ 3.29Å; Y385-K451 VanDerWaalsContact CE1-NZ 3.34Å
386	Y	98.8	Very high	98.4	Very high	71 Å²	71	37 Å²	37	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-69.3	-40	-178	-63.6	-69.2	0	0	0	112.1	R372 E376 N383 S388 I389 A390	R372-Y386 HydrophobicContact CG-CD1 3.86Å; R372-Y386 HydrophobicContact CG-CE1 4.19Å; R372-Y386 HydrophobicContact CG-CG 4.15Å; R372-Y386 PolarHBondContact NH2-OH 2.82Å; E376-Y386 HydrophobicContact CB-CD2 4.5Å; E376-Y386 HydrophobicContact CG-CD2 3.68Å; E376-Y386 HydrophobicContact CG-CE2 3.98Å; E376-Y386 HydrophobicContact CG-CG 4.41Å; E376-Y386 VanDerWaalsContact OE1-CE2 3.29Å; E376-Y386 WeakPolarHBondContact OE1-CE2 3.38Å; N383-Y386 PolarHBondContact O-N 3.33Å; Y386-S388 VanDerWaalsContact C-N 3.29Å; Y386-S388 PolarHBondContact O-N 3.14Å; Y386-I389 PolarHBondContact O-N 2.95Å; Y386-A390 WeakPolarHBondContact O-CB 3.22Å; Y386-A390 PolarHBondContact O-N 3.47Å
387	A	98.8	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-40.2	176.1	0	0	0	0	0	111.8	R314 P315 A373 N383 K391	R314-A387 HydrophobicContact CB-CB 4.1Å; P315-A387 HydrophobicContact CG-CB 4.27Å; A373-A387 HydrophobicContact CB-CB 4.3Å; N383-A387 PolarHBondContact O-N 3.49Å; A387-K391 WeakPolarHBondContact O-CB 3.21Å; A387-K391 PolarHBondContact O-N 3.22Å
388	S	98.8	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.6	-37	178.2	-52.1	0	0	0	0	112.4	T384 Y385 Y386 A392 Q440 I443	T384-S388 WeakPolarHBondContact O-CB 3.43Å; T384-S388 PolarHBondContact O-N 3.48Å; T384-S388 VanDerWaalsContact O-N 3.09Å; T384-S388 PolarHBondContact O-OG 3.41Å; Y385-S388 PolarHBondContact O-N 2.85Å; Y386-S388 VanDerWaalsContact C-N 3.29Å; Y386-S388 PolarHBondContact O-N 3.14Å; S388-A392 VanDerWaalsContact O-CB 3.27Å; S388-A392 WeakPolarHBondContact O-CB 3.26Å; S388-A392 PolarHBondContact O-N 3.36Å; S388-Q440 VanDerWaalsContact CA-OE1 3.3Å; S388-Q440 VanDerWaalsContact CB-OE1 3.26Å; S388-Q440 PolarHBondContact OG-OE1 2.84Å; S388-I443 WeakPolarHBondContact OG-CG2 3.47Å
389	I	98.9	Very high	98.5	Very high	53 Å²	53	34 Å²	34	27%	0.272	17%	0.173	S	C	.	.	H	α-helix	trans	-59.4	-51.4	171.6	-72.8	172.3	0	0	0	110.2	Y385 Y386 K391 A392 F393 I444	Y385-I389 HydrophobicContact CD1-CD1 3.85Å; Y385-I389 HydrophobicContact CD2-CD1 4.39Å; Y385-I389 HydrophobicContact CE1-CD1 3.35Å; Y385-I389 HydrophobicContact CE2-CD1 3.97Å; Y385-I389 HydrophobicContact CG-CD1 4.36Å; Y385-I389 VanDerWaalsContact CZ-CD1 3.42Å; Y385-I389 WeakPolarHBondContact O-CG1 3.41Å; Y385-I389 PolarHBondContact O-N 2.96Å; Y386-I389 PolarHBondContact O-N 2.95Å; I389-K391 VanDerWaalsContact C-N 3.33Å; I389-K391 PolarHBondContact O-N 2.94Å; I389-A392 PolarHBondContact O-N 2.84Å; I389-F393 VanDerWaalsContact O-CB 3.28Å; I389-F393 WeakPolarHBondContact O-CB 3.15Å; I389-F393 PolarHBondContact O-N 3Å; I389-I444 HydrophobicContact CG1-CD1 3.9Å; I389-I444 HydrophobicContact CG1-CG1 3.94Å; I389-I444 HydrophobicContact CG1-CG2 4.29Å
390	A	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-47.4	-179.1	0	0	0	0	0	111	S369 A373 Y386 F393 A394	S369-A390 WeakPolarHBondContact OG-CA 3.26Å; A373-A390 HydrophobicContact CB-CB 4.32Å; Y386-A390 WeakPolarHBondContact O-CB 3.22Å; Y386-A390 PolarHBondContact O-N 3.47Å; A390-F393 PolarHBondContact O-N 2.81Å; A390-A394 WeakPolarHBondContact O-CB 3.21Å; A390-A394 PolarHBondContact O-N 2.81Å
391	K	98.9	Very high	98.7	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.013	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-47.4	-179	-158.5	-75.1	-174.2	173.5	0	111.7	S318 A387 I389 G395 Y430 Y433 G435 Q440	S318-K391 WeakPolarHBondContact OG-CA 3.35Å; S318-K391 PolarHBondContact OG-N 2.86Å; A387-K391 WeakPolarHBondContact O-CB 3.21Å; A387-K391 PolarHBondContact O-N 3.22Å; I389-K391 VanDerWaalsContact C-N 3.33Å; I389-K391 PolarHBondContact O-N 2.94Å; K391-G395 PolarHBondContact O-N 3.29Å; K391-Y430 WeakPolarHBondContact CE-O 3.4Å; K391-Y430 PolarHBondContact NZ-O 2.89Å; K391-Y433 VanDerWaalsContact CE-O 3.24Å; K391-Y433 WeakPolarHBondContact CE-O 3.08Å; K391-Y433 PolarHBondContact NZ-O 2.91Å; K391-G435 WeakPolarHBondContact CE-O 3.28Å; K391-G435 PolarHBondContact NZ-O 3.06Å; K391-Q440 HydrophobicContact CB-CG 4.37Å; K391-Q440 HydrophobicContact CD-CG 3.87Å
392	A	98.9	Very high	98.8	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-51.5	177.4	0	0	0	0	0	111.6	S388 I389 D396 Q440 I444	S388-A392 VanDerWaalsContact O-CB 3.27Å; S388-A392 WeakPolarHBondContact O-CB 3.26Å; S388-A392 PolarHBondContact O-N 3.36Å; I389-A392 PolarHBondContact O-N 2.84Å; A392-D396 WeakPolarHBondContact O-CB 3.42Å; A392-D396 PolarHBondContact O-N 3.09Å; A392-D396 VanDerWaalsContact O-N 3.09Å; A392-Q440 HydrophobicContact CB-CB 3.77Å; A392-Q440 HydrophobicContact CB-CG 4.34Å; A392-I444 HydrophobicContact CB-CD1 4.17Å
393	F	98.9	Very high	98.8	Very high	73 Å²	73	22.6 Å²	22.6	32%	0.32	11%	0.11	S	C	.	.	H	α-helix	trans	-70	-48.3	-174.2	-173.3	-104.8	0	0	0	112	L365 A366 I389 A390 G395 D396 I397	L365-F393 HydrophobicContact CB-CE1 3.74Å; L365-F393 HydrophobicContact CB-CZ 4.08Å; L365-F393 HydrophobicContact CD1-CZ 4.5Å; A366-F393 HydrophobicContact CB-CD1 3.78Å; A366-F393 HydrophobicContact CB-CE1 3.87Å; I389-F393 VanDerWaalsContact O-CB 3.28Å; I389-F393 WeakPolarHBondContact O-CB 3.15Å; I389-F393 PolarHBondContact O-N 3Å; A390-F393 PolarHBondContact O-N 2.81Å; F393-G395 VanDerWaalsContact C-N 3.34Å; F393-G395 PolarHBondContact O-N 2.93Å; F393-D396 PolarHBondContact O-N 3.07Å; F393-I397 HydrophobicContact CD1-CG2 4.39Å; F393-I397 HydrophobicContact CD2-CG2 4.35Å; F393-I397 HydrophobicContact CE1-CG2 4.01Å; F393-I397 HydrophobicContact CE2-CG2 3.97Å; F393-I397 HydrophobicContact CZ-CG2 3.8Å; F393-I397 WeakPolarHBondContact O-CG1 3.38Å; F393-I397 WeakPolarHBondContact O-CG2 3.5Å; F393-I397 PolarHBondContact O-N 2.95Å
394	A	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-39	178.6	0	0	0	0	0	112	A321 V322 A366 A390 A398	A321-A394 HydrophobicContact CB-CB 3.95Å; V322-A394 HydrophobicContact CG2-CB 4.06Å; A366-A394 HydrophobicContact CB-CB 4.22Å; A390-A394 WeakPolarHBondContact O-CB 3.21Å; A390-A394 PolarHBondContact O-N 2.81Å; A394-A398 VanDerWaalsContact O-CB 3.22Å; A394-A398 WeakPolarHBondContact O-CB 3.47Å; A394-A398 PolarHBondContact O-N 3.02Å
395	G	98.8	Very high	98.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-41.6	174.7	0	0	0	0	0	112.9	K391 F393 N399	K391-G395 PolarHBondContact O-N 3.29Å; F393-G395 VanDerWaalsContact C-N 3.34Å; F393-G395 PolarHBondContact O-N 2.93Å; G395-N399 PolarHBondContact O-N 2.88Å; G395-N399 PolarHBondContact O-ND2 3.32Å
396	D	98.9	Very high	98.9	Very high	40 Å²	40	22.2 Å²	22.2	21%	0.214	11%	0.111	C	C	.	.	H	α-helix	trans	-69.4	-45.9	179.2	-68.9	-16.2	0	0	0	111.8	A392 F393 N399 Q400 Q431 S437 R441	A392-D396 WeakPolarHBondContact O-CB 3.42Å; A392-D396 PolarHBondContact O-N 3.09Å; A392-D396 VanDerWaalsContact O-N 3.09Å; F393-D396 PolarHBondContact O-N 3.07Å; D396-N399 PolarHBondContact O-N 3.34Å; D396-Q400 PolarHBondContact O-N 3.41Å; D396-Q400 VanDerWaalsContact O-N 3.16Å; D396-Q431 PolarHBondContact OD1-NE2 3.14Å; D396-S437 PolarHBondContact OD1-OG 2.79Å; D396-R441 IonicContact OD2-CZ 3.34Å; D396-R441 IonicContact OD2-NH1 3.83Å; D396-R441 PolarHBondContact OD2-NH1 3.17Å; D396-R441 IonicContact OD2-NH2 3.77Å; D396-R441 PolarHBondContact OD2-NH2 3.2Å
397	I	98.9	Very high	98.9	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-70.7	-33.1	-179.7	66.9	95.2	0	0	0	112.6	A325 K362 A366 F393 N399 Q400 L401	A325-I397 HydrophobicContact CB-CD1 3.67Å; K362-I397 HydrophobicContact CB-CB 4.05Å; K362-I397 HydrophobicContact CB-CG2 3.91Å; K362-I397 HydrophobicContact CD-CG2 4.28Å; K362-I397 HydrophobicContact CG-CG2 4.05Å; A366-I397 HydrophobicContact CB-CD1 3.82Å; A366-I397 HydrophobicContact CB-CG1 3.86Å; F393-I397 HydrophobicContact CD1-CG2 4.39Å; F393-I397 HydrophobicContact CD2-CG2 4.35Å; F393-I397 HydrophobicContact CE1-CG2 4.01Å; F393-I397 HydrophobicContact CE2-CG2 3.97Å; F393-I397 HydrophobicContact CZ-CG2 3.8Å; F393-I397 WeakPolarHBondContact O-CG1 3.38Å; F393-I397 WeakPolarHBondContact O-CG2 3.5Å; F393-I397 PolarHBondContact O-N 2.95Å; I397-N399 VanDerWaalsContact C-N 3.26Å; I397-N399 PolarHBondContact O-N 3.2Å; I397-Q400 PolarHBondContact O-N 3.21Å; I397-L401 HydrophobicContact CB-CD1 4.43Å; I397-L401 WeakPolarHBondContact O-CB 3.18Å; I397-L401 WeakPolarHBondContact O-CD1 3.33Å; I397-L401 PolarHBondContact O-N 3.43Å
398	A	98.9	Very high	98.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-38.7	175.9	0	0	0	0	0	111.6	A321 L324 A325 A394 A402	A321-A398 HydrophobicContact CB-CB 4Å; A321-A398 WeakPolarHBondContact O-CB 3.35Å; L324-A398 HydrophobicContact CD2-CB 4.35Å; A325-A398 HydrophobicContact CB-CB 4.35Å; A394-A398 VanDerWaalsContact O-CB 3.22Å; A394-A398 WeakPolarHBondContact O-CB 3.47Å; A394-A398 PolarHBondContact O-N 3.02Å; A398-A402 VanDerWaalsContact O-CB 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.48Å; A398-A402 PolarHBondContact O-N 3.44Å; A398-A402 VanDerWaalsContact O-N 3.08Å
399	N	98.9	Very high	98.9	Very high	28 Å²	28	25.9 Å²	25.9	15%	0.15	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-45.2	174.6	-82.3	-97.9	0	0	0	111.7	G395 D396 I397 T403 A427 K428	G395-N399 PolarHBondContact O-N 2.88Å; G395-N399 PolarHBondContact O-ND2 3.32Å; D396-N399 PolarHBondContact O-N 3.34Å; I397-N399 VanDerWaalsContact C-N 3.26Å; I397-N399 PolarHBondContact O-N 3.2Å; N399-T403 PolarHBondContact O-N 2.84Å; N399-A427 PolarHBondContact ND2-O 2.94Å; N399-K428 VanDerWaalsContact OD1-CA 3.25Å; N399-K428 WeakPolarHBondContact OD1-CA 3.39Å; N399-K428 WeakPolarHBondContact OD1-CD 3.4Å
400	Q	98.9	Very high	98.9	Very high	80 Å²	80	25.1 Å²	25.1	37%	0.374	14%	0.136	S	C	.	.	H	α-helix	trans	-62.2	-48.5	178.4	-174.3	167	29.4	0	0	111.7	K362 D396 I397 A402 T403 D404	K362-Q400 VanDerWaalsContact NZ-NE2 3.15Å; D396-Q400 PolarHBondContact O-N 3.41Å; D396-Q400 VanDerWaalsContact O-N 3.16Å; I397-Q400 PolarHBondContact O-N 3.21Å; Q400-A402 VanDerWaalsContact C-N 3.35Å; Q400-A402 PolarHBondContact O-N 2.96Å; Q400-T403 WeakPolarHBondContact O-CG2 3.31Å; Q400-T403 PolarHBondContact O-N 3.45Å; Q400-D404 WeakPolarHBondContact CG-OD2 3.39Å; Q400-D404 WeakPolarHBondContact O-CB 3.21Å; Q400-D404 VanDerWaalsContact O-CG 3.24Å; Q400-D404 PolarHBondContact O-N 3.17Å
401	L	98.9	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-35.8	-177.3	-92.1	63.9	0	0	0	112.8	A325 A328 M359 K362 V363 I397 D404 A405	A325-L401 HydrophobicContact CB-CB 4.38Å; A325-L401 HydrophobicContact CB-CD2 3.88Å; A328-L401 HydrophobicContact CB-CB 4.43Å; M359-L401 HydrophobicContact CB-CD1 4.3Å; M359-L401 HydrophobicContact CB-CD2 4.02Å; M359-L401 HydrophobicContact CB-CG 3.88Å; M359-L401 HydrophobicContact CE-CB 4.24Å; M359-L401 HydrophobicContact CE-CG 4.01Å; M359-L401 HydrophobicContact CG-CD1 4.19Å; M359-L401 HydrophobicContact CG-CD2 4.5Å; M359-L401 HydrophobicContact CG-CG 3.83Å; K362-L401 HydrophobicContact CB-CD1 4.07Å; K362-L401 HydrophobicContact CD-CD1 3.86Å; V363-L401 HydrophobicContact CG2-CD2 3.23Å; I397-L401 HydrophobicContact CB-CD1 4.43Å; I397-L401 WeakPolarHBondContact O-CB 3.18Å; I397-L401 WeakPolarHBondContact O-CD1 3.33Å; I397-L401 PolarHBondContact O-N 3.43Å; L401-D404 PolarHBondContact O-N 2.94Å; L401-A405 VanDerWaalsContact O-CB 3.28Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 2.88Å
402	A	98.9	Very high	98.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-40.1	175.9	0	0	0	0	0	111.8	L324 A398 Q400 A405 V406 L423 M424 A427	L324-A402 HydrophobicContact CD2-CB 4.17Å; A398-A402 VanDerWaalsContact O-CB 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.48Å; A398-A402 PolarHBondContact O-N 3.44Å; A398-A402 VanDerWaalsContact O-N 3.08Å; Q400-A402 VanDerWaalsContact C-N 3.35Å; Q400-A402 PolarHBondContact O-N 2.96Å; A402-A405 PolarHBondContact O-N 2.9Å; A402-V406 WeakPolarHBondContact O-CG2 3.33Å; A402-V406 PolarHBondContact O-N 2.94Å; A402-V406 VanDerWaalsContact O-N 3.13Å; A402-L423 HydrophobicContact CB-CB 4.33Å; A402-M424 HydrophobicContact CB-CB 4.15Å; A402-A427 HydrophobicContact CB-CB 4.01Å
403	T	98.9	Very high	98.9	Very high	55 Å²	55	30.5 Å²	30.5	34%	0.337	18%	0.181	S	C	.	.	H	α-helix	trans	-70	-37.2	174.7	-166.5	0	0	0	0	112.5	N399 Q400 A405 V406 Q407	N399-T403 PolarHBondContact O-N 2.84Å; Q400-T403 WeakPolarHBondContact O-CG2 3.31Å; Q400-T403 PolarHBondContact O-N 3.45Å; T403-A405 VanDerWaalsContact C-N 3.33Å; T403-V406 PolarHBondContact O-N 3.44Å; T403-Q407 WeakPolarHBondContact O-CB 3.28Å; T403-Q407 PolarHBondContact O-N 2.87Å
404	D	98.9	Very high	98.9	Very high	29 Å²	29	35.5 Å²	35.5	16%	0.155	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-36.8	176.4	-69.6	-21.1	0	0	0	111	M355 M359 Q400 L401 Q407 I408	M355-D404 HydrophobicContact CE-CB 3.9Å; M359-D404 HydrophobicContact CE-CB 4.41Å; M359-D404 HydrophobicContact CG-CB 4.37Å; M359-D404 HydrophobicContact SD-CB 3.98Å; Q400-D404 WeakPolarHBondContact CG-OD2 3.39Å; Q400-D404 WeakPolarHBondContact O-CB 3.21Å; Q400-D404 VanDerWaalsContact O-CG 3.24Å; Q400-D404 PolarHBondContact O-N 3.17Å; L401-D404 PolarHBondContact O-N 2.94Å; D404-Q407 WeakPolarHBondContact O-CB 3.34Å; D404-Q407 PolarHBondContact O-N 3.41Å; D404-I408 WeakPolarHBondContact O-CG1 3.31Å; D404-I408 PolarHBondContact O-N 3.23Å
405	A	98.9	Very high	98.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-45.1	173.7	0	0	0	0	0	111.8	A328 A332 M359 L401 A402 T403 Q407 I408 F409 V420	A328-A405 HydrophobicContact CB-CB 3.92Å; A328-A405 WeakPolarHBondContact O-CB 3.18Å; A332-A405 HydrophobicContact CB-CB 4.02Å; M359-A405 HydrophobicContact CE-CB 4.41Å; L401-A405 VanDerWaalsContact O-CB 3.28Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 2.88Å; A402-A405 PolarHBondContact O-N 2.9Å; T403-A405 VanDerWaalsContact C-N 3.33Å; A405-Q407 VanDerWaalsContact C-N 3.27Å; A405-Q407 PolarHBondContact O-N 2.8Å; A405-I408 PolarHBondContact O-N 3.19Å; A405-F409 VanDerWaalsContact O-CD2 3.29Å; A405-F409 WeakPolarHBondContact O-CD2 3.4Å; A405-F409 PolarHBondContact O-N 3.06Å; A405-F409 VanDerWaalsContact O-N 3.13Å; A405-V420 HydrophobicContact CB-CB 4.3Å; A405-V420 HydrophobicContact CB-CG1 3.95Å
406	V	98.9	Very high	98.8	Very high	21 Å²	21	43.9 Å²	43.9	13%	0.127	25%	0.251	C	S	.	.	H	α-helix	trans	-56.8	-44.6	171.4	169.7	0	0	0	0	110.6	A402 T403 I408 F409 G410 V420 M424	A402-V406 WeakPolarHBondContact O-CG2 3.33Å; A402-V406 PolarHBondContact O-N 2.94Å; A402-V406 VanDerWaalsContact O-N 3.13Å; T403-V406 PolarHBondContact O-N 3.44Å; V406-I408 PolarHBondContact O-N 3.45Å; V406-F409 PolarHBondContact O-N 2.71Å; V406-G410 PolarHBondContact O-N 3.45Å; V406-G410 VanDerWaalsContact O-N 3.13Å; V406-V420 HydrophobicContact CG2-CB 4.03Å; V406-V420 HydrophobicContact CG2-CG2 3.92Å; V406-M424 HydrophobicContact CG2-CB 4.16Å; V406-M424 HydrophobicContact CG2-SD 4.1Å
407	Q	98.9	Very high	98.8	Very high	132 Å²	132	49.7 Å²	49.7	62%	0.617	28%	0.277	S	S	*	.	H	α-helix	trans	-61.5	-42.3	179.8	-172.2	62.7	46.8	0	0	112.6	M355 T403 D404 A405 F409 G410	M355-Q407 HydrophobicContact CE-CB 4.28Å; M355-Q407 HydrophobicContact CE-CG 4.19Å; T403-Q407 WeakPolarHBondContact O-CB 3.28Å; T403-Q407 PolarHBondContact O-N 2.87Å; D404-Q407 WeakPolarHBondContact O-CB 3.34Å; D404-Q407 PolarHBondContact O-N 3.41Å; A405-Q407 VanDerWaalsContact C-N 3.27Å; A405-Q407 PolarHBondContact O-N 2.8Å; Q407-F409 VanDerWaalsContact C-N 3.34Å; Q407-F409 PolarHBondContact O-N 2.96Å; Q407-G410 PolarHBondContact O-N 2.94Å; Q407-G410 VanDerWaalsContact O-N 3.14Å
408	I	98.9	Very high	98.8	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-35.4	178.2	-71.6	166.5	0	0	0	111.5	A332 A336 I352 M355 L356 M359 D404 A405 V406 G410	A332-I408 HydrophobicContact CB-CB 4.37Å; A332-I408 HydrophobicContact CB-CD1 3.91Å; A332-I408 HydrophobicContact CB-CG2 4.28Å; A336-I408 HydrophobicContact CB-CG2 4.2Å; I352-I408 HydrophobicContact CD1-CG1 4.38Å; M355-I408 HydrophobicContact CB-CD1 4.4Å; M355-I408 HydrophobicContact CE-CD1 4.32Å; M355-I408 HydrophobicContact CE-CG1 4.05Å; M355-I408 HydrophobicContact SD-CG1 4.46Å; L356-I408 HydrophobicContact CD2-CD1 3.87Å; L356-I408 HydrophobicContact CG-CD1 4.2Å; M359-I408 HydrophobicContact SD-CD1 3.94Å; D404-I408 WeakPolarHBondContact O-CG1 3.31Å; D404-I408 PolarHBondContact O-N 3.23Å; A405-I408 PolarHBondContact O-N 3.19Å; V406-I408 PolarHBondContact O-N 3.45Å; I408-G410 VanDerWaalsContact C-N 3.26Å; I408-G410 PolarHBondContact O-N 3.27Å
409	F	98.8	Very high	98.8	Very high	10 Å²	10	55.4 Å²	55.4	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-21.1	174	-86.1	-112.4	0	0	0	113.2	E331 Y335 A405 V406 Q407 N412 Y418 V420	E331-F409 HydrophobicContact CB-CE2 4.19Å; E331-F409 HydrophobicContact CB-CZ 4.21Å; E331-F409 WeakPolarHBondContact O-CE2 3.38Å; Y335-F409 VanDerWaalsContact CB-CE2 3.49Å; Y335-F409 VanDerWaalsContact CB-CZ 3.41Å; Y335-F409 HydrophobicContact CD1-CB 4.41Å; Y335-F409 HydrophobicContact CD1-CD1 4.11Å; Y335-F409 HydrophobicContact CD1-CD2 4.04Å; Y335-F409 HydrophobicContact CD1-CE1 4.4Å; Y335-F409 HydrophobicContact CD1-CE2 4.38Å; Y335-F409 AromaticContact CD1-CG 3.92Å; Y335-F409 HydrophobicContact CD1-CG 3.92Å; Y335-F409 AromaticContact CD2-CD1 3.68Å; Y335-F409 HydrophobicContact CD2-CD1 3.68Å; Y335-F409 AromaticContact CD2-CE1 3.42Å; Y335-F409 HydrophobicContact CD2-CE1 3.42Å; Y335-F409 VanDerWaalsContact CD2-CE1 3.42Å; Y335-F409 HydrophobicContact CD2-CG 4.32Å; Y335-F409 AromaticContact CD2-CZ 3.92Å; Y335-F409 HydrophobicContact CD2-CZ 3.92Å; Y335-F409 HydrophobicContact CE1-CB 4.29Å; Y335-F409 HydrophobicContact CE1-CD1 4.27Å; Y335-F409 HydrophobicContact CE1-CG 4.18Å; Y335-F409 AromaticContact CE2-CD1 3.86Å; Y335-F409 HydrophobicContact CE2-CD1 3.86Å; Y335-F409 HydrophobicContact CE2-CE1 4Å; Y335-F409 AromaticContact CG-CD1 3.79Å; Y335-F409 HydrophobicContact CG-CD1 3.79Å; Y335-F409 HydrophobicContact CG-CD2 4Å; Y335-F409 AromaticContact CG-CE1 3.64Å; Y335-F409 HydrophobicContact CG-CE1 3.64Å; Y335-F409 AromaticContact CG-CE2 3.91Å; Y335-F409 HydrophobicContact CG-CE2 3.91Å; Y335-F409 AromaticContact CG-CG 3.97Å; Y335-F409 HydrophobicContact CG-CG 3.97Å; Y335-F409 AromaticContact CG-CZ 3.73Å; Y335-F409 HydrophobicContact CG-CZ 3.73Å; Y335-F409 PolarHBondContact OH-O 3.27Å; A405-F409 VanDerWaalsContact O-CD2 3.29Å; A405-F409 WeakPolarHBondContact O-CD2 3.4Å; A405-F409 PolarHBondContact O-N 3.06Å; A405-F409 VanDerWaalsContact O-N 3.13Å; V406-F409 PolarHBondContact O-N 2.71Å; Q407-F409 VanDerWaalsContact C-N 3.34Å; Q407-F409 PolarHBondContact O-N 2.96Å; F409-N412 HydrophobicContact CD1-CB 4.42Å; F409-Y418 AromaticContact CD1-CD1 3.76Å; F409-Y418 HydrophobicContact CD1-CD1 3.76Å; F409-Y418 HydrophobicContact CD1-CE1 4.31Å; F409-Y418 HydrophobicContact CD1-CG 4.14Å; F409-Y418 AromaticContact CE1-CD1 3.5Å; F409-Y418 HydrophobicContact CE1-CD1 3.5Å; F409-Y418 VanDerWaalsContact CE1-CD1 3.5Å; F409-Y418 HydrophobicContact CE1-CE1 4.09Å; F409-Y418 HydrophobicContact CE1-CG 4.23Å; F409-V420 HydrophobicContact CB-CG2 4.24Å; F409-V420 HydrophobicContact CD1-CG2 4.39Å; F409-V420 HydrophobicContact CD2-CG1 4Å; F409-V420 HydrophobicContact CD2-CG2 4.1Å; F409-V420 HydrophobicContact CE2-CG1 3.72Å; F409-V420 HydrophobicContact CG-CG2 4Å; F409-V420 HydrophobicContact CZ-CG1 4.17Å
410	G	98.8	Very high	98.8	Very high	37 Å²	37	54.1 Å²	54.1	38%	0.381	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	64.3	-136.1	-176.2	0	0	0	0	0	111.5	V406 Q407 I408 N412 G413	V406-G410 PolarHBondContact O-N 3.45Å; V406-G410 VanDerWaalsContact O-N 3.13Å; Q407-G410 PolarHBondContact O-N 2.94Å; Q407-G410 VanDerWaalsContact O-N 3.14Å; I408-G410 VanDerWaalsContact C-N 3.26Å; I408-G410 PolarHBondContact O-N 3.27Å; G410-N412 PolarHBondContact O-N 3.4Å; G410-N412 VanDerWaalsContact O-N 3.16Å; G410-G413 PolarHBondContact O-N 2.88Å
411	G	98.5	Very high	98.8	Very high	69 Å²	69	51.9 Å²	51.9	71%	0.711	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-56.8	-32.5	-179.5	0	0	0	0	0	114.1	G413 F414	G411-G413 VanDerWaalsContact C-N 3.29Å; G411-G413 PolarHBondContact O-N 2.92Å; G411-F414 PolarHBondContact O-N 3.18Å
412	N	98.8	Very high	98.8	Very high	54 Å²	54	52.6 Å²	52.6	29%	0.289	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-66.1	-32.3	175.4	-76.4	-8.8	0	0	0	112.2	Y335 F409 G410 F414 N415 Y418	Y335-N412 PolarHBondContact OH-ND2 2.68Å; F409-N412 HydrophobicContact CD1-CB 4.42Å; G410-N412 PolarHBondContact O-N 3.4Å; G410-N412 VanDerWaalsContact O-N 3.16Å; N412-F414 PolarHBondContact O-N 2.78Å; N412-N415 WeakPolarHBondContact O-CB 3.26Å; N412-N415 PolarHBondContact O-N 2.9Å; N412-N415 VanDerWaalsContact O-N 3.09Å; N412-Y418 HydrophobicContact CB-CD2 3.65Å; N412-Y418 HydrophobicContact CB-CE1 4.46Å; N412-Y418 HydrophobicContact CB-CE2 3.45Å; N412-Y418 VanDerWaalsContact CB-CE2 3.45Å; N412-Y418 HydrophobicContact CB-CG 4.23Å; N412-Y418 VanDerWaalsContact CG-CE2 3.42Å; N412-Y418 PolarHBondContact ND2-OH 2.98Å; N412-Y418 WeakPolarHBondContact O-CB 3.47Å; N412-Y418 WeakPolarHBondContact O-CD2 3.49Å
413	G	98.8	Very high	98.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-70.6	-19.1	-178.8	0	0	0	0	0	113.2	G410 G411 E421	G410-G413 PolarHBondContact O-N 2.88Å; G411-G413 VanDerWaalsContact C-N 3.29Å; G411-G413 PolarHBondContact O-N 2.92Å; G413-E421 WeakPolarHBondContact O-CB 3.4Å
414	F	98.8	Very high	98.8	Very high	178 Å²	178	54.5 Å²	54.5	78%	0.781	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-88.6	-5.2	174.8	-170.3	-113.4	0	0	0	112.8	G411 N412	G411-F414 PolarHBondContact O-N 3.18Å; N412-F414 PolarHBondContact O-N 2.78Å
415	N	98.7	Very high	98.8	Very high	74 Å²	74	55 Å²	55	40%	0.396	30%	0.296	S	S	.	.	S	Bend	trans	-101.6	139.6	-176.1	-175.7	-82.8	0	0	0	111.3	N412 E417 Y418	N412-N415 WeakPolarHBondContact O-CB 3.26Å; N412-N415 PolarHBondContact O-N 2.9Å; N412-N415 VanDerWaalsContact O-N 3.09Å; N415-E417 PolarHBondContact O-N 3.2Å; N415-E417 WeakPolarHBondContact OD1-CB 3.42Å; N415-E417 WeakPolarHBondContact OD1-CG 3.2Å; N415-E417 PolarHBondContact OD1-N 3.47Å; N415-Y418 PolarHBondContact O-N 3.22Å; N415-Y418 VanDerWaalsContact O-N 3.1Å
416	T	98.1	Very high	98.8	Very high	102 Å²	102	55 Å²	55	63%	0.626	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.7	-176.1	52.9	0	0	0	0	114.9	Y418 E421	T416-Y418 PolarHBondContact O-N 3.33Å; T416-E421 HydrophobicContact CG2-CG 4.43Å
417	E	98.5	Very high	98.8	Very high	163 Å²	163	54 Å²	54	76%	0.762	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14	171.7	-59.7	-64.2	151.4	0	0	112.1	N415	N415-E417 PolarHBondContact O-N 3.2Å; N415-E417 WeakPolarHBondContact OD1-CB 3.42Å; N415-E417 WeakPolarHBondContact OD1-CG 3.2Å; N415-E417 PolarHBondContact OD1-N 3.47Å
418	Y	98.8	Very high	98.8	Very high	83 Å²	83	51.8 Å²	51.8	33%	0.325	28%	0.278	S	S	.	.	S	Bend	trans	-109.4	147.7	176.5	-70.9	-84.4	0	0	0	111.5	Y335 F409 N412 N415 T416 V420	Y335-Y418 HydrophobicContact CE2-CE1 4.39Å; F409-Y418 AromaticContact CD1-CD1 3.76Å; F409-Y418 HydrophobicContact CD1-CD1 3.76Å; F409-Y418 HydrophobicContact CD1-CE1 4.31Å; F409-Y418 HydrophobicContact CD1-CG 4.14Å; F409-Y418 AromaticContact CE1-CD1 3.5Å; F409-Y418 HydrophobicContact CE1-CD1 3.5Å; F409-Y418 VanDerWaalsContact CE1-CD1 3.5Å; F409-Y418 HydrophobicContact CE1-CE1 4.09Å; F409-Y418 HydrophobicContact CE1-CG 4.23Å; N412-Y418 HydrophobicContact CB-CD2 3.65Å; N412-Y418 HydrophobicContact CB-CE1 4.46Å; N412-Y418 HydrophobicContact CB-CE2 3.45Å; N412-Y418 VanDerWaalsContact CB-CE2 3.45Å; N412-Y418 HydrophobicContact CB-CG 4.23Å; N412-Y418 VanDerWaalsContact CG-CE2 3.42Å; N412-Y418 PolarHBondContact ND2-OH 2.98Å; N412-Y418 WeakPolarHBondContact O-CB 3.47Å; N412-Y418 WeakPolarHBondContact O-CD2 3.49Å; N415-Y418 PolarHBondContact O-N 3.22Å; N415-Y418 VanDerWaalsContact O-N 3.1Å; T416-Y418 PolarHBondContact O-N 3.33Å; Y418-V420 VanDerWaalsContact C-N 3.33Å; Y418-V420 PolarHBondContact O-N 2.84Å
419	P	98.6	Very high	98.8	Very high	43 Å²	43	53.9 Å²	53.9	28%	0.279	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.9	-167	28.7	-35.7	0	0	0	114.3	E331 E421 K422 L423	E331-P419 HydrophobicContact CG-CG 3.93Å; P419-E421 PolarHBondContact O-N 2.95Å; P419-K422 PolarHBondContact O-N 2.75Å; P419-L423 PolarHBondContact O-N 2.71Å
420	V	98.8	Very high	98.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-75.1	-26.4	-164.3	-66	0	0	0	0	114.2	E331 A405 V406 F409 Y418 K422 L423 M424	E331-V420 HydrophobicContact CB-CG1 3.97Å; A405-V420 HydrophobicContact CB-CB 4.3Å; A405-V420 HydrophobicContact CB-CG1 3.95Å; V406-V420 HydrophobicContact CG2-CB 4.03Å; V406-V420 HydrophobicContact CG2-CG2 3.92Å; F409-V420 HydrophobicContact CB-CG2 4.24Å; F409-V420 HydrophobicContact CD1-CG2 4.39Å; F409-V420 HydrophobicContact CD2-CG1 4Å; F409-V420 HydrophobicContact CD2-CG2 4.1Å; F409-V420 HydrophobicContact CE2-CG1 3.72Å; F409-V420 HydrophobicContact CG-CG2 4Å; F409-V420 HydrophobicContact CZ-CG1 4.17Å; Y418-V420 VanDerWaalsContact C-N 3.33Å; Y418-V420 PolarHBondContact O-N 2.84Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.45Å; V420-L423 HydrophobicContact CG1-CD1 4.49Å; V420-L423 WeakPolarHBondContact O-CB 3.32Å; V420-L423 PolarHBondContact O-N 2.88Å; V420-M424 PolarHBondContact O-N 3.01Å
421	E	98.9	Very high	98.8	Very high	33 Å²	33	53.6 Å²	53.6	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-40.3	175.4	72.9	78.6	-160.2	0	0	111.3	G413 T416 P419 L423 M424 R425	G413-E421 WeakPolarHBondContact O-CB 3.4Å; T416-E421 HydrophobicContact CG2-CG 4.43Å; P419-E421 PolarHBondContact O-N 2.95Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 3.1Å; E421-M424 WeakPolarHBondContact O-CB 3.42Å; E421-M424 PolarHBondContact O-N 2.87Å; E421-M424 VanDerWaalsContact O-N 3.15Å; E421-R425 PolarHBondContact O-N 2.84Å; E421-R425 IonicContact OE1-CZ 3.72Å; E421-R425 IonicContact OE1-NE 3.76Å; E421-R425 IonicContact OE1-NH2 2.79Å; E421-R425 PolarHBondContact OE1-NH2 3.06Å; E421-R425 IonicContact OE2-CZ 3.41Å; E421-R425 IonicContact OE2-NE 2.7Å; E421-R425 PolarHBondContact OE2-NE 3.25Å; E421-R425 IonicContact OE2-NH2 3.23Å; E421-R425 PolarHBondContact OE2-NH2 3.32Å
422	K	98.9	Very high	98.8	Very high	16 Å²	16	54.4 Å²	54.4	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-44.4	174.8	176.1	-176.7	173.3	-64.6	0	110.8	D68 C149 P419 V420 M424 R425 D426	D68-K422 HydrophobicContact CB-CD 3.72Å; D68-K422 VanDerWaalsContact CB-CE 3.42Å; D68-K422 HydrophobicContact CB-CG 4.4Å; C149-K422 PolarHBondContact SG-NZ 3.37Å; P419-K422 PolarHBondContact O-N 2.75Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.45Å; K422-M424 VanDerWaalsContact C-N 3.25Å; K422-M424 PolarHBondContact O-N 3.45Å; K422-R425 PolarHBondContact O-N 2.82Å; K422-D426 IonicContact NZ-OD2 2.88Å; K422-D426 PolarHBondContact NZ-OD2 3.39Å; K422-D426 VanDerWaalsContact O-CB 3.31Å; K422-D426 WeakPolarHBondContact O-CB 3.49Å; K422-D426 PolarHBondContact O-N 3.35Å
423	L	98.9	Very high	98.8	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-39.4	176.8	-58.5	-179.8	0	0	0	111.3	L324 R327 A328 A402 P419 V420 E421 D426 A427	L324-L423 HydrophobicContact CD2-CB 4.34Å; L324-L423 HydrophobicContact CG-CD2 4.32Å; R327-L423 HydrophobicContact CB-CD1 4.31Å; R327-L423 HydrophobicContact CG-CD1 3.86Å; R327-L423 HydrophobicContact CG-CD2 4.09Å; A328-L423 HydrophobicContact CB-CD1 3.99Å; A402-L423 HydrophobicContact CB-CB 4.33Å; P419-L423 PolarHBondContact O-N 2.71Å; V420-L423 HydrophobicContact CG1-CD1 4.49Å; V420-L423 WeakPolarHBondContact O-CB 3.32Å; V420-L423 PolarHBondContact O-N 2.88Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 3.1Å; L423-D426 PolarHBondContact O-N 3Å; L423-A427 VanDerWaalsContact O-CB 3.26Å; L423-A427 WeakPolarHBondContact O-CB 3.33Å; L423-A427 PolarHBondContact O-N 2.8Å
424	M	98.9	Very high	98.7	Very high	82 Å²	82	55.1 Å²	55.1	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-65.5	-43.1	177.4	-172.5	-179.9	-179.7	0	0	112.2	A402 V406 V420 E421 K422	A402-M424 HydrophobicContact CB-CB 4.15Å; V406-M424 HydrophobicContact CG2-CB 4.16Å; V406-M424 HydrophobicContact CG2-SD 4.1Å; V420-M424 PolarHBondContact O-N 3.01Å; E421-M424 WeakPolarHBondContact O-CB 3.42Å; E421-M424 PolarHBondContact O-N 2.87Å; E421-M424 VanDerWaalsContact O-N 3.15Å; K422-M424 VanDerWaalsContact C-N 3.25Å; K422-M424 PolarHBondContact O-N 3.45Å
425	R	98.9	Very high	98.6	Very high	40 Å²	40	47.7 Å²	47.7	15%	0.151	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-46.1	174.6	-70.9	-173.8	-68.4	99.9	-2	111.9	D68 M273 E421 K422 K428	D68-R425 IonicContact OD1-CZ 3.86Å; D68-R425 IonicContact OD1-NH1 3.04Å; D68-R425 PolarHBondContact OD1-NH1 3.49Å; D68-R425 IonicContact OD1-NH2 3.74Å; D68-R425 IonicContact OD2-CZ 3.5Å; D68-R425 IonicContact OD2-NH1 3.42Å; D68-R425 PolarHBondContact OD2-NH1 3.06Å; D68-R425 IonicContact OD2-NH2 2.71Å; D68-R425 PolarHBondContact OD2-NH2 2.83Å; M273-R425 WeakPolarHBondContact CE-O 3.44Å; M273-R425 HydrophobicContact CG-CB 4.05Å; M273-R425 HydrophobicContact CG-CG 3.9Å; M273-R425 WeakPolarHBondContact O-CD 3.45Å; M273-R425 PolarHBondContact O-NH1 3.49Å; E421-R425 PolarHBondContact O-N 2.84Å; E421-R425 IonicContact OE1-CZ 3.72Å; E421-R425 IonicContact OE1-NE 3.76Å; E421-R425 IonicContact OE1-NH2 2.79Å; E421-R425 PolarHBondContact OE1-NH2 3.06Å; E421-R425 IonicContact OE2-CZ 3.41Å; E421-R425 IonicContact OE2-NE 2.7Å; E421-R425 PolarHBondContact OE2-NE 3.25Å; E421-R425 IonicContact OE2-NH2 3.23Å; E421-R425 PolarHBondContact OE2-NH2 3.32Å; K422-R425 PolarHBondContact O-N 2.82Å; R425-K428 PolarHBondContact O-N 3.43Å
426	D	98.9	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-38.4	-178.9	-72.6	-2.5	0	0	0	112	T150 G274 Q275 L324 K422 L423 K428 I429	T150-D426 WeakPolarHBondContact OG1-CB 3.38Å; T150-D426 PolarHBondContact OG1-OD2 3.4Å; G274-D426 WeakPolarHBondContact CA-OD1 3.26Å; Q275-D426 HydrophobicContact CG-CB 4.38Å; Q275-D426 PolarHBondContact N-OD1 3.25Å; L324-D426 HydrophobicContact CD1-CB 3.64Å; K422-D426 IonicContact NZ-OD2 2.88Å; K422-D426 PolarHBondContact NZ-OD2 3.39Å; K422-D426 VanDerWaalsContact O-CB 3.31Å; K422-D426 WeakPolarHBondContact O-CB 3.49Å; K422-D426 PolarHBondContact O-N 3.35Å; L423-D426 PolarHBondContact O-N 3Å; D426-K428 PolarHBondContact O-N 2.72Å; D426-I429 WeakPolarHBondContact O-CG2 3.14Å
427	A	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-31.2	-177.1	0	0	0	0	0	112.9	L324 N399 A402 L423 I429 Y430	L324-A427 HydrophobicContact CD1-CB 4.16Å; L324-A427 HydrophobicContact CD2-CB 3.78Å; N399-A427 PolarHBondContact ND2-O 2.94Å; A402-A427 HydrophobicContact CB-CB 4.01Å; L423-A427 VanDerWaalsContact O-CB 3.26Å; L423-A427 WeakPolarHBondContact O-CB 3.33Å; L423-A427 PolarHBondContact O-N 2.8Å; A427-I429 VanDerWaalsContact C-N 3.26Å; A427-I429 PolarHBondContact O-N 3.16Å; A427-Y430 PolarHBondContact O-N 3.03Å
428	K	98.9	Very high	98.6	Very high	86 Å²	86	39.3 Å²	39.3	37%	0.374	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-63.1	-32.8	-169.4	-172.9	61.4	-169.1	174.5	0	114.1	M273 N399 R425 D426 Y430 Q431 I432	M273-K428 HydrophobicContact CE-CB 3.27Å; M273-K428 HydrophobicContact CE-CG 3.66Å; N399-K428 VanDerWaalsContact OD1-CA 3.25Å; N399-K428 WeakPolarHBondContact OD1-CA 3.39Å; N399-K428 WeakPolarHBondContact OD1-CD 3.4Å; R425-K428 PolarHBondContact O-N 3.43Å; D426-K428 PolarHBondContact O-N 2.72Å; K428-Y430 PolarHBondContact O-N 2.68Å; K428-Q431 PolarHBondContact O-N 3.42Å; K428-I432 HydrophobicContact CG-CD1 4.36Å
429	I	98.8	Very high	98.6	Very high	50 Å²	50	37.5 Å²	37.5	26%	0.256	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.5	-27.1	-176.6	-161.5	61.3	0	0	0	112.4	Q275 D426 A427 Q431 I432 Y433	Q275-I429 HydrophobicContact CG-CG2 4.21Å; D426-I429 WeakPolarHBondContact O-CG2 3.14Å; A427-I429 VanDerWaalsContact C-N 3.26Å; A427-I429 PolarHBondContact O-N 3.16Å; I429-Q431 PolarHBondContact O-N 2.91Å; I429-Q431 VanDerWaalsContact O-N 3.16Å; I429-I432 HydrophobicContact CD1-CB 4.34Å; I429-I432 WeakPolarHBondContact O-CA 3.2Å; I429-I432 PolarHBondContact O-N 3.06Å; I429-Y433 HydrophobicContact CG1-CD1 4.3Å; I429-Y433 HydrophobicContact CG1-CD2 3.89Å; I429-Y433 HydrophobicContact CG1-CE2 4.33Å; I429-Y433 HydrophobicContact CG1-CG 3.9Å; I429-Y433 HydrophobicContact CG2-CE1 4.41Å; I429-Y433 HydrophobicContact CG2-CE2 4.41Å; I429-Y433 WeakPolarHBondContact O-CD1 3.36Å; I429-Y433 PolarHBondContact O-N 3.48Å
430	Y	98.9	Very high	98.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-64.6	-18.6	178.2	-70.1	-77.5	0	0	0	113.7	T150 V317 A321 L324 K391 A427 K428 I432 Y433	T150-Y430 WeakPolarHBondContact CB-OH 3.22Å; T150-Y430 HydrophobicContact CG2-CE2 4.01Å; T150-Y430 WeakPolarHBondContact CG2-OH 3.22Å; V317-Y430 HydrophobicContact CG1-CD1 3.94Å; V317-Y430 HydrophobicContact CG1-CE1 4.15Å; V317-Y430 VanDerWaalsContact O-CE1 3.3Å; V317-Y430 WeakPolarHBondContact O-CE1 3.4Å; A321-Y430 HydrophobicContact CB-CD1 3.6Å; A321-Y430 HydrophobicContact CB-CD2 4.18Å; A321-Y430 HydrophobicContact CB-CE1 3.96Å; A321-Y430 HydrophobicContact CB-CG 3.73Å; L324-Y430 HydrophobicContact CD1-CE2 4.17Å; K391-Y430 WeakPolarHBondContact CE-O 3.4Å; K391-Y430 PolarHBondContact NZ-O 2.89Å; A427-Y430 PolarHBondContact O-N 3.03Å; K428-Y430 PolarHBondContact O-N 2.68Å; Y430-I432 VanDerWaalsContact C-N 3.34Å; Y430-Y433 AromaticContact CD1-CE1 3.69Å; Y430-Y433 HydrophobicContact CD1-CE1 3.69Å; Y430-Y433 WeakPolarHBondContact CD1-OH 3.3Å; Y430-Y433 HydrophobicContact CE1-CE1 4.13Å; Y430-Y433 AromaticContact CE1-CZ 3.96Å; Y430-Y433 WeakPolarHBondContact CE1-OH 3.29Å; Y430-Y433 HydrophobicContact CG-CE1 4.26Å
431	Q	98.9	Very high	98.6	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.178	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-86.8	-3.5	171.7	-69.8	-177.4	-39.6	0	0	113.5	D396 K428 I429 T436 S437	D396-Q431 PolarHBondContact OD1-NE2 3.14Å; K428-Q431 PolarHBondContact O-N 3.42Å; I429-Q431 PolarHBondContact O-N 2.91Å; I429-Q431 VanDerWaalsContact O-N 3.16Å; Q431-T436 CarbonylContact O-C 3.58Å; Q431-T436 VanDerWaalsContact O-CA 3.31Å; Q431-T436 WeakPolarHBondContact O-CA 3.1Å; Q431-S437 WeakPolarHBondContact CB-OG 3.31Å; Q431-S437 WeakPolarHBondContact CG-OG 3.42Å; Q431-S437 PolarHBondContact O-N 2.89Å
432	I	98.8	Very high	98.6	Very high	86 Å²	86	44.3 Å²	44.3	44%	0.441	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-66.9	-168.1	-57.7	172.4	0	0	0	111.5	K428 I429 Y430 G435 T436	K428-I432 HydrophobicContact CG-CD1 4.36Å; I429-I432 HydrophobicContact CD1-CB 4.34Å; I429-I432 WeakPolarHBondContact O-CA 3.2Å; I429-I432 PolarHBondContact O-N 3.06Å; Y430-I432 VanDerWaalsContact C-N 3.34Å; I432-G435 CarbonylContact O-C 3.58Å; I432-T436 WeakPolarHBondContact O-CA 3.45Å; I432-T436 WeakPolarHBondContact O-CG2 3.13Å; I432-T436 PolarHBondContact O-N 3.41Å
433	Y	98.3	Very high	98.6	Very high	43 Å²	43	44.1 Å²	44.1	17%	0.169	21%	0.213	C	C	.	.	S	Bend	trans	-70.6	166.5	-173.9	75.3	-11.6	0	0	0	112.6	T154 V317 K391 I429 Y430 G435	T154-Y433 HydrophobicContact CG2-CE2 4.23Å; V317-Y433 HydrophobicContact CG1-CD1 4.45Å; V317-Y433 HydrophobicContact CG1-CE1 3.54Å; K391-Y433 VanDerWaalsContact CE-O 3.24Å; K391-Y433 WeakPolarHBondContact CE-O 3.08Å; K391-Y433 PolarHBondContact NZ-O 2.91Å; I429-Y433 HydrophobicContact CG1-CD1 4.3Å; I429-Y433 HydrophobicContact CG1-CD2 3.89Å; I429-Y433 HydrophobicContact CG1-CE2 4.33Å; I429-Y433 HydrophobicContact CG1-CG 3.9Å; I429-Y433 HydrophobicContact CG2-CE1 4.41Å; I429-Y433 HydrophobicContact CG2-CE2 4.41Å; I429-Y433 WeakPolarHBondContact O-CD1 3.36Å; I429-Y433 PolarHBondContact O-N 3.48Å; Y430-Y433 AromaticContact CD1-CE1 3.69Å; Y430-Y433 HydrophobicContact CD1-CE1 3.69Å; Y430-Y433 WeakPolarHBondContact CD1-OH 3.3Å; Y430-Y433 HydrophobicContact CE1-CE1 4.13Å; Y430-Y433 AromaticContact CE1-CZ 3.96Å; Y430-Y433 WeakPolarHBondContact CE1-OH 3.29Å; Y430-Y433 HydrophobicContact CG-CE1 4.26Å; Y433-G435 PolarHBondContact O-N 3.17Å; Y433-G435 VanDerWaalsContact O-N 3.08Å
434	E	97.1	Very high	98.6	Very high	26 Å²	26	45.2 Å²	45.2	12%	0.121	22%	0.218	C	C	.	.	S	Bend	trans	53.9	32.5	-179.6	-69.9	-75.2	112.3	0	0	113.2	L161 F310 T313 V317 Q440	L161-E434 WeakPolarHBondContact CD1-OE1 3.32Å; L161-E434 WeakPolarHBondContact CD2-OE1 3.27Å; F310-E434 VanDerWaalsContact CD1-OE2 3.27Å; F310-E434 WeakPolarHBondContact CD1-OE2 3.43Å; F310-E434 WeakPolarHBondContact CE1-OE1 3.34Å; F310-E434 WeakPolarHBondContact CE1-OE2 3.41Å; T313-E434 PolarHBondContact OG1-OE2 2.89Å; V317-E434 HydrophobicContact CG1-CB 4.4Å; V317-E434 HydrophobicContact CG2-CB 4.16Å; V317-E434 HydrophobicContact CG2-CG 3.78Å; E434-Q440 PolarHBondContact O-NE2 3.05Å
435	G	97.1	Very high	98.6	Very high	22 Å²	22	43.6 Å²	43.6	23%	0.227	22%	0.218	C	C	.	.	S	Bend	trans	90.3	116.8	-176.8	0	0	0	0	0	112.7	K391 I432 Y433 Q440	K391-G435 WeakPolarHBondContact CE-O 3.28Å; K391-G435 PolarHBondContact NZ-O 3.06Å; I432-G435 CarbonylContact O-C 3.58Å; Y433-G435 PolarHBondContact O-N 3.17Å; Y433-G435 VanDerWaalsContact O-N 3.08Å; G435-Q440 PolarHBondContact O-NE2 2.88Å
436	T	98.7	Very high	98.5	Very high	26 Å²	26	48.2 Å²	48.2	16%	0.16	24%	0.235	C	C	.	.			trans	-60.1	161.5	-176.1	77.2	0	0	0	0	112.8	Q431 I432 Q438 I439 Q440	Q431-T436 CarbonylContact O-C 3.58Å; Q431-T436 VanDerWaalsContact O-CA 3.31Å; Q431-T436 WeakPolarHBondContact O-CA 3.1Å; I432-T436 WeakPolarHBondContact O-CA 3.45Å; I432-T436 WeakPolarHBondContact O-CG2 3.13Å; I432-T436 PolarHBondContact O-N 3.41Å; T436-Q438 PolarHBondContact O-N 2.94Å; T436-Q438 PolarHBondContact OG1-N 3.24Å; T436-Q438 PolarHBondContact OG1-OE1 2.57Å; T436-Q438 VanDerWaalsContact OG1-OE1 3.13Å; T436-I439 PolarHBondContact O-N 3.41Å; T436-I439 PolarHBondContact OG1-N 3.47Å; T436-Q440 WeakPolarHBondContact O-CG 3.35Å; T436-Q440 PolarHBondContact O-N 3.43Å
437	S	98.4	Very high	98.5	Very high	5 Å²	5	49.8 Å²	49.8	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-50.5	-33	174.9	-70.4	0	0	0	0	113.4	D396 Q431 R441	D396-S437 PolarHBondContact OD1-OG 2.79Å; Q431-S437 WeakPolarHBondContact CB-OG 3.31Å; Q431-S437 WeakPolarHBondContact CG-OG 3.42Å; Q431-S437 PolarHBondContact O-N 2.89Å; S437-R441 WeakPolarHBondContact O-CD 3.44Å; S437-R441 VanDerWaalsContact O-CG 3.31Å; S437-R441 WeakPolarHBondContact O-CG 3.26Å; S437-R441 PolarHBondContact O-N 3.43Å; S437-R441 PolarHBondContact O-NH1 3.41Å
438	Q	98.8	Very high	98.4	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-75.6	-41.1	176.6	-62.5	71.9	27.2	0	0	111.8	T436 Q440 R441 L442	T436-Q438 PolarHBondContact O-N 2.94Å; T436-Q438 PolarHBondContact OG1-N 3.24Å; T436-Q438 PolarHBondContact OG1-OE1 2.57Å; T436-Q438 VanDerWaalsContact OG1-OE1 3.13Å; Q438-Q440 VanDerWaalsContact C-N 3.34Å; Q438-R441 WeakPolarHBondContact O-CB 3.43Å; Q438-R441 PolarHBondContact O-N 3.39Å; Q438-L442 PolarHBondContact O-N 3.41Å
439	I	98.6	Very high	98.4	Very high	45 Å²	45	53.6 Å²	53.6	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-39.9	176	-65.2	-58.4	0	0	0	111.1	T436 R441 L442 I443	T436-I439 PolarHBondContact O-N 3.41Å; T436-I439 PolarHBondContact OG1-N 3.47Å; I439-R441 VanDerWaalsContact C-N 3.32Å; I439-R441 PolarHBondContact O-N 3.24Å; I439-L442 WeakPolarHBondContact O-CB 3.06Å; I439-L442 PolarHBondContact O-N 2.97Å; I439-I443 HydrophobicContact CG2-CD1 3.94Å; I439-I443 HydrophobicContact CG2-CG1 4.48Å; I439-I443 VanDerWaalsContact O-CG1 3.31Å; I439-I443 WeakPolarHBondContact O-CG1 3.29Å; I439-I443 PolarHBondContact O-N 3.37Å
440	Q	98.8	Very high	98.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-44.9	172.8	-58.9	-51.4	-32.4	0	0	111.2	S388 K391 A392 E434 G435 T436 Q438 L442 I443 I444	S388-Q440 VanDerWaalsContact CA-OE1 3.3Å; S388-Q440 VanDerWaalsContact CB-OE1 3.26Å; S388-Q440 PolarHBondContact OG-OE1 2.84Å; K391-Q440 HydrophobicContact CB-CG 4.37Å; K391-Q440 HydrophobicContact CD-CG 3.87Å; A392-Q440 HydrophobicContact CB-CB 3.77Å; A392-Q440 HydrophobicContact CB-CG 4.34Å; E434-Q440 PolarHBondContact O-NE2 3.05Å; G435-Q440 PolarHBondContact O-NE2 2.88Å; T436-Q440 WeakPolarHBondContact O-CG 3.35Å; T436-Q440 PolarHBondContact O-N 3.43Å; Q438-Q440 VanDerWaalsContact C-N 3.34Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 3.46Å; Q440-I443 PolarHBondContact O-N 2.68Å; Q440-I444 WeakPolarHBondContact O-CD1 3.2Å; Q440-I444 WeakPolarHBondContact O-CG1 3.16Å; Q440-I444 PolarHBondContact O-N 3.3Å
441	R	98.6	Very high	98	Very high	120 Å²	120	58.9 Å²	58.9	45%	0.453	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-39.4	176	-74.4	164.5	173.2	73	-2.5	112.4	D396 S437 Q438 I439 I444 A445	D396-R441 IonicContact OD2-CZ 3.34Å; D396-R441 IonicContact OD2-NH1 3.83Å; D396-R441 PolarHBondContact OD2-NH1 3.17Å; D396-R441 IonicContact OD2-NH2 3.77Å; D396-R441 PolarHBondContact OD2-NH2 3.2Å; S437-R441 WeakPolarHBondContact O-CD 3.44Å; S437-R441 VanDerWaalsContact O-CG 3.31Å; S437-R441 WeakPolarHBondContact O-CG 3.26Å; S437-R441 PolarHBondContact O-N 3.43Å; S437-R441 PolarHBondContact O-NH1 3.41Å; Q438-R441 WeakPolarHBondContact O-CB 3.43Å; Q438-R441 PolarHBondContact O-N 3.39Å; I439-R441 VanDerWaalsContact C-N 3.32Å; I439-R441 PolarHBondContact O-N 3.24Å; R441-I444 PolarHBondContact O-N 3.02Å; R441-A445 VanDerWaalsContact O-CB 3.28Å; R441-A445 WeakPolarHBondContact O-CB 3.39Å; R441-A445 PolarHBondContact O-N 3.2Å
442	L	98.6	Very high	97.9	Very high	99 Å²	99	64.8 Å²	64.8	52%	0.518	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-46.1	173.6	-176.1	157.9	0	0	0	111.2	Q438 I439 Q440 A445 R446	Q438-L442 PolarHBondContact O-N 3.41Å; I439-L442 WeakPolarHBondContact O-CB 3.06Å; I439-L442 PolarHBondContact O-N 2.97Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 3.46Å; L442-A445 PolarHBondContact O-N 2.79Å; L442-R446 WeakPolarHBondContact O-CB 3.41Å; L442-R446 PolarHBondContact O-N 2.72Å
443	I	98.3	Very high	97.3	Very high	13 Å²	13	68.3 Å²	68.3	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-48.8	178.2	-64.4	162.9	0	0	0	110.2	T384 S388 I439 Q440 A445 R446 E447	T384-I443 HydrophobicContact CG2-CG2 3.56Å; S388-I443 WeakPolarHBondContact OG-CG2 3.47Å; I439-I443 HydrophobicContact CG2-CD1 3.94Å; I439-I443 HydrophobicContact CG2-CG1 4.48Å; I439-I443 VanDerWaalsContact O-CG1 3.31Å; I439-I443 WeakPolarHBondContact O-CG1 3.29Å; I439-I443 PolarHBondContact O-N 3.37Å; Q440-I443 PolarHBondContact O-N 2.68Å; I443-A445 VanDerWaalsContact C-N 3.34Å; I443-A445 PolarHBondContact O-N 2.88Å; I443-R446 PolarHBondContact O-N 3.34Å; I443-E447 HydrophobicContact CG2-CG 4.09Å; I443-E447 WeakPolarHBondContact O-CB 3.42Å; I443-E447 VanDerWaalsContact O-CG 3.26Å; I443-E447 WeakPolarHBondContact O-CG 3.41Å; I443-E447 PolarHBondContact O-N 3.37Å
444	I	98.7	Very high	95.2	Very high	35 Å²	35	77.6 Å²	77.6	18%	0.179	39%	0.385	C	S	.	.	H	α-helix	trans	-56.9	-48.3	177.7	-65.2	162.9	0	0	0	110.3	Y385 I389 A392 Q440 R441 R446 E447 H448	Y385-I444 HydrophobicContact CE2-CG2 3.98Å; I389-I444 HydrophobicContact CG1-CD1 3.9Å; I389-I444 HydrophobicContact CG1-CG1 3.94Å; I389-I444 HydrophobicContact CG1-CG2 4.29Å; A392-I444 HydrophobicContact CB-CD1 4.17Å; Q440-I444 WeakPolarHBondContact O-CD1 3.2Å; Q440-I444 WeakPolarHBondContact O-CG1 3.16Å; Q440-I444 PolarHBondContact O-N 3.3Å; R441-I444 PolarHBondContact O-N 3.02Å; I444-R446 PolarHBondContact O-N 3.26Å; I444-E447 PolarHBondContact O-N 2.84Å; I444-H448 WeakPolarHBondContact O-CB 3.45Å; I444-H448 PolarHBondContact O-N 3.23Å
445	A	98.6	Very high	95.1	Very high	47 Å²	47	80.2 Å²	80.2	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-46.1	179.1	0	0	0	0	0	111.5	R441 L442 I443 H448 I449	R441-A445 VanDerWaalsContact O-CB 3.28Å; R441-A445 WeakPolarHBondContact O-CB 3.39Å; R441-A445 PolarHBondContact O-N 3.2Å; L442-A445 PolarHBondContact O-N 2.79Å; I443-A445 VanDerWaalsContact C-N 3.34Å; I443-A445 PolarHBondContact O-N 2.88Å; A445-H448 PolarHBondContact O-N 2.71Å; A445-I449 WeakPolarHBondContact O-CB 3.31Å; A445-I449 WeakPolarHBondContact O-CD1 3.28Å; A445-I449 WeakPolarHBondContact O-CG1 3.44Å; A445-I449 PolarHBondContact O-N 2.72Å
446	R	97.9	Very high	95	Very high	138 Å²	138	83.3 Å²	83.3	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-49	177.8	-175.8	-175.8	68.4	-161.6	-2	112	L442 I443 I444 G450	L442-R446 WeakPolarHBondContact O-CB 3.41Å; L442-R446 PolarHBondContact O-N 2.72Å; I443-R446 PolarHBondContact O-N 3.34Å; I444-R446 PolarHBondContact O-N 3.26Å; R446-G450 PolarHBondContact O-N 2.76Å
447	E	98.1	Very high	94.8	Very high	33 Å²	33	86.4 Å²	86.4	15%	0.154	42%	0.421	C	S	.	.	H	α-helix	trans	-66.9	-37.2	179.5	-66.2	-64.9	133.6	0	0	111.7	R382 T384 Y385 I443 I444 K451	R382-E447 IonicContact CZ-OE1 3.55Å; R382-E447 IonicContact CZ-OE2 3.5Å; R382-E447 IonicContact NH1-OE1 3.37Å; R382-E447 PolarHBondContact NH1-OE1 3.11Å; R382-E447 IonicContact NH1-OE2 2.72Å; R382-E447 PolarHBondContact NH1-OE2 2.95Å; R382-E447 IonicContact NH2-OE1 2.72Å; R382-E447 PolarHBondContact NH2-OE1 3.13Å; R382-E447 IonicContact NH2-OE2 3.58Å; R382-E447 PolarHBondContact NH2-OE2 3.25Å; T384-E447 HydrophobicContact CG2-CG 4.34Å; Y385-E447 HydrophobicContact CD2-CB 3.74Å; Y385-E447 HydrophobicContact CG-CB 4.36Å; I443-E447 HydrophobicContact CG2-CG 4.09Å; I443-E447 WeakPolarHBondContact O-CB 3.42Å; I443-E447 VanDerWaalsContact O-CG 3.26Å; I443-E447 WeakPolarHBondContact O-CG 3.41Å; I443-E447 PolarHBondContact O-N 3.37Å; I444-E447 PolarHBondContact O-N 2.84Å; E447-K451 WeakPolarHBondContact O-CG 3.46Å; E447-K451 PolarHBondContact O-N 3.48Å
448	H	98.1	Very high	94.6	Very high	81 Å²	81	91.2 Å²	91.2	38%	0.375	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-54.7	175.6	180	76.9	0	0	0	110.9	Y385 I444 A445 G450 K451 Y452	Y385-H448 HydrophobicContact CE2-CB 4.09Å; I444-H448 WeakPolarHBondContact O-CB 3.45Å; I444-H448 PolarHBondContact O-N 3.23Å; A445-H448 PolarHBondContact O-N 2.71Å; H448-G450 PolarHBondContact O-N 3.02Å; H448-K451 WeakPolarHBondContact O-CB 3.39Å; H448-K451 PolarHBondContact O-N 3.28Å; H448-Y452 AromaticContact CE1-CE2 3.52Å; H448-Y452 AromaticContact ND1-CE2 3.98Å; H448-Y452 AromaticContact NE2-CE2 3.81Å; H448-Y452 VanDerWaalsContact O-CD2 3.28Å; H448-Y452 WeakPolarHBondContact O-CD2 3.37Å
449	I	98.1	Very high	94.3	Very high	85 Å²	85	88.7 Å²	88.7	44%	0.436	43%	0.433	S	S	.	.	H	α-helix	trans	-58.7	-39	179	-68.2	165.5	0	0	0	110.8	A445 K451 Y452 K453	A445-I449 WeakPolarHBondContact O-CB 3.31Å; A445-I449 WeakPolarHBondContact O-CD1 3.28Å; A445-I449 WeakPolarHBondContact O-CG1 3.44Å; A445-I449 PolarHBondContact O-N 2.72Å; I449-K451 PolarHBondContact O-N 3.13Å; I449-K451 VanDerWaalsContact O-N 3.17Å; I449-Y452 PolarHBondContact O-N 3.02Å; I449-K453 HydrophobicContact CG2-CD 4.04Å; I449-K453 HydrophobicContact CG2-CG 4.07Å; I449-K453 PolarHBondContact O-N 3.17Å; I449-K453 VanDerWaalsContact O-N 3.13Å
450	G	96.9	Very high	94.1	Very high	49 Å²	49	91.6 Å²	91.6	51%	0.505	45%	0.446	S	S	.	.	H	α-helix	trans	-58.4	-24.4	176.8	0	0	0	0	0	114.5	R446 H448 Y452	R446-G450 PolarHBondContact O-N 2.76Å; H448-G450 PolarHBondContact O-N 3.02Å; G450-Y452 VanDerWaalsContact C-N 3.3Å
451	K	93.8	Very high	93.7	Very high	114 Å²	114	98.1 Å²	98.1	50%	0.496	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.5	175.6	-65.9	170.7	-176.6	-179.9	0	113.9	Y385 E447 H448 I449	Y385-K451 VanDerWaalsContact CD1-NZ 3.29Å; Y385-K451 VanDerWaalsContact CE1-NZ 3.34Å; E447-K451 WeakPolarHBondContact O-CG 3.46Å; E447-K451 PolarHBondContact O-N 3.48Å; H448-K451 WeakPolarHBondContact O-CB 3.39Å; H448-K451 PolarHBondContact O-N 3.28Å; I449-K451 PolarHBondContact O-N 3.13Å; I449-K451 VanDerWaalsContact O-N 3.17Å
452	Y	94.9	Very high	93.4	Very high	162 Å²	162	96.5 Å²	96.5	64%	0.635	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-4.8	-174.4	-62.7	-86	0	0	0	113.5	H448 I449 G450 N454	H448-Y452 AromaticContact CE1-CE2 3.52Å; H448-Y452 AromaticContact ND1-CE2 3.98Å; H448-Y452 AromaticContact NE2-CE2 3.81Å; H448-Y452 VanDerWaalsContact O-CD2 3.28Å; H448-Y452 WeakPolarHBondContact O-CD2 3.37Å; I449-Y452 PolarHBondContact O-N 3.02Å; G450-Y452 VanDerWaalsContact C-N 3.3Å; Y452-N454 PolarHBondContact O-N 3.25Å
453	K	87.3	Confident	92.9	Very high	160 Å²	160	96.3 Å²	96.3	70%	0.696	48%	0.477	S	S	*	.			trans	-75.3	108.9	167.8	-76.7	-176.3	171.2	-177.8	0	107.4	I449	I449-K453 HydrophobicContact CG2-CD 4.04Å; I449-K453 HydrophobicContact CG2-CG 4.07Å; I449-K453 PolarHBondContact O-N 3.17Å; I449-K453 VanDerWaalsContact O-N 3.13Å
454	N	54.5	Low	92.4	Very high	238 Å²	238	103.8 Å²	103.8	100%	1.273	51%	0.514	S	S	*	.			trans	-54.3	0	172.6	-70.3	-23.7	0	0	0	111.8	Y452	Y452-N454 PolarHBondContact O-N 3.25Å

Retrieved 454 of 454 residues in 3654.7 ms (Link to these results)

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