A0A087Y1N3_POEFO Loading...

2-oxoisovalerate dehydrogenase subunit alpha

The branched-chain alpha-keto dehydrogenase complex catalyzes the overall conversion of alpha-keto acids to acyl-CoA and CO(2). It contains multiple copies of three enzymatic components: branched-chain alpha-keto acid decarboxylase (E1), lipoamide acyltransferase (E2) and lipoamide dehydrogenase (E3). Together with BCKDHB forms the heterotetrameric E1 subunit of the mitochondrial branched-chain alpha-ketoacid dehydrogenase (BCKD) complex. The BCKD complex catalyzes the multi-step oxidative decarboxylation of alpha-ketoacids derived from the branched-chain amino-acids valine, leucine and isoleucine producing CO2 and acyl-CoA which is subsequently utilized to produce energy. The E1 subunit catalyzes the first step with the decarboxylation of the alpha-ketoacid forming an enzyme-product intermediate. A reductive acylation mediated by the lipoylamide cofactor of E2 extracts the acyl group from the E1 active site for the next step of the reaction.

AlphaFold DB , UniProt , Accession A0A087Y1N3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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	34	Very low	28.9	Very low	243 Å²	243	150.2 Å²	150.2	100%	1.197	88%	0.883	S	S	*	*				0	123.5	0	-79	-178.2	-153.8	0	0	108
2	A	28.2	Very low	28.7	Very low	106 Å²	106	143.2 Å²	143.2	88%	0.876	87%	0.866	S	S	*	*			trans	34.6	133.4	162	0	0	0	0	0	119.8
3	A	29.1	Very low	28.6	Very low	102 Å²	102	144.2 Å²	144.2	84%	0.843	86%	0.862	S	S	*	*			cis	-155.2	141.4	34.6	0	0	0	0	0	113.2
4	V	28.1	Very low	28.5	Very low	149 Å²	149	142 Å²	142	90%	0.903	86%	0.855	S	S	*	*			trans	-113.3	133.8	168.6	170.6	0	0	0	0	106.7
5	S	29.6	Very low	28.5	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	85%	0.851	S	S	*	*			trans	169.5	121.8	161.6	163.8	0	0	0	0	107.1
6	S	27.8	Very low	28.5	Very low	114 Å²	114	148.7 Å²	148.7	80%	0.797	85%	0.85	S	S	*	*				-167.2	139.9	60	48.5	0	0	0	0	111.8
7	M	26.5	Very low	28.5	Very low	191 Å²	191	146.1 Å²	146.1	94%	0.941	85%	0.851	S	S	*	*			trans	-99.5	141.2	159.9	-90	-174.9	166.8	0	0	108.6
8	S	29.5	Very low	28.5	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	85%	0.846	S	S	*	*			trans	-171.5	116.6	132.8	53.2	0	0	0	0	110.7
9	R	29	Very low	28.5	Very low	233 Å²	233	149.3 Å²	149.3	88%	0.879	85%	0.847	S	S	*	*				76.7	110.7	107.3	-69.1	-174.8	-169	-150	2.9	115.1
10	I	28.8	Very low	28.5	Very low	173 Å²	173	151.4 Å²	151.4	89%	0.887	85%	0.849	S	S	*	*				-145.3	122.5	129.4	-58.7	-172.8	0	0	0	108
11	S	26.8	Very low	29	Very low	125 Å²	125	150.7 Å²	150.7	87%	0.874	85%	0.849	S	S	*	*			trans	-139.8	145.8	167.1	58.5	0	0	0	0	110
12	G	27.1	Very low	28.8	Very low	66 Å²	66	144 Å²	144	68%	0.68	83%	0.831	S	S	*	*			trans	124.3	133.9	176.3	0	0	0	0	0	111
13	L	27.8	Very low	28.9	Very low	156 Å²	156	143.6 Å²	143.6	82%	0.817	83%	0.828	S	S	*	*			cis	-172.5	174.4	15.4	-114.9	140.2	0	0	0	109.3
14	C	26.9	Very low	29	Very low	114 Å²	114	147.1 Å²	147.1	77%	0.77	83%	0.832	S	S	*	*			trans	88.8	100.6	167.9	-65.1	0	0	0	0	116.8
15	R	28.4	Very low	28.9	Very low	211 Å²	211	149.6 Å²	149.6	80%	0.796	83%	0.831	S	S	*	*				79.6	114.7	60.7	-74.8	-166.9	-179.1	-154.7	2.6	115.6
16	H	28.2	Very low	29.1	Very low	180 Å²	180	149.9 Å²	149.9	83%	0.833	83%	0.833	S	S	*	*			trans	65.7	122.8	140.7	-73.4	6.5	0	0	0	121.4
17	A	28.2	Very low	30	Very low	105 Å²	105	149.6 Å²	149.6	87%	0.868	83%	0.828	S	S	*	*				-168.2	146.4	117.2	0	0	0	0	0	111.4
18	V	28.6	Very low	30.2	Very low	124 Å²	124	151.4 Å²	151.4	75%	0.752	83%	0.825	S	S	*	*			trans	-118	144.9	-171.6	161.8	0	0	0	0	109.5
19	R	29.7	Very low	30.3	Very low	229 Å²	229	153 Å²	153	86%	0.864	82%	0.824	S	S	*	*			trans	58.7	131.9	158.9	-77.8	170.6	174.6	-171.1	-1.9	119.2
20	Q	28.5	Very low	30.7	Very low	190 Å²	190	149 Å²	149	89%	0.888	82%	0.82	S	S	*	*				-176.9	139	100.6	-97.8	179.2	2.8	0	0	112.6
21	T	37.5	Very low	30.8	Very low	138 Å²	138	149.8 Å²	149.8	85%	0.847	82%	0.819	S	S	*	*			trans	-72.1	144.6	165.1	42	0	0	0	0	111.6
22	A	30.2	Very low	31.5	Very low	101 Å²	101	155.2 Å²	155.2	84%	0.835	82%	0.821	S	S	*	*			trans	-149.9	121	156.9	0	0	0	0	0	111.4
23	A	31.2	Very low	31.7	Very low	98 Å²	98	162.1 Å²	162.1	81%	0.81	83%	0.826	S	S	*	*			trans	-82.8	147.5	168	0	0	0	0	0	110.2
24	L	30	Very low	32.3	Very low	177 Å²	177	160.4 Å²	160.4	93%	0.927	83%	0.827	S	S	*	*			trans	-129.1	109.7	164.7	-88.7	156.6	0	0	0	109.1
25	K	26.8	Very low	32.6	Very low	200 Å²	200	162.8 Å²	162.8	87%	0.87	82%	0.824	S	S	*	*			trans	-106	144.6	158.3	-77.9	-177.4	175.9	179	0	107.4
26	S	33.5	Very low	33.1	Very low	117 Å²	117	164.8 Å²	164.8	82%	0.818	83%	0.832	S	S	*	*				168.4	175	123.5	78.4	0	0	0	0	110.5
27	P	46.7	Very low	33.4	Very low	107 Å²	107	162.2 Å²	162.2	70%	0.695	83%	0.829	S	S	*	*				-126.4	-179.2	-109.6	26.4	-1.5	0	0	0	112.9
28	R	31.6	Very low	33.8	Very low	230 Å²	230	163 Å²	163	87%	0.868	82%	0.823	S	S	*	*			trans	-179.4	124.2	131.3	-97.2	168.4	-171.4	-142.4	2.1	114.1
29	L	31	Very low	34.3	Very low	140 Å²	140	161.5 Å²	161.5	73%	0.733	82%	0.824	S	S	*	*			trans	64.2	95.6	138.8	-74.7	147.8	0	0	0	121.7
30	L	36.6	Very low	34.7	Very low	149 Å²	149	156.2 Å²	156.2	78%	0.78	82%	0.816	S	S	*	*				32.4	119.4	122.1	-75.2	154.2	0	0	0	119.7
31	Q	31.7	Very low	35.4	Very low	188 Å²	188	155.7 Å²	155.7	88%	0.879	81%	0.814	S	S	*	*				-158.1	125.2	117.7	-112.6	177	8.3	0	0	111.6
32	R	41.3	Very low	35.7	Very low	240 Å²	240	157.1 Å²	157.1	91%	0.906	81%	0.811	S	S	*	*			trans	-67.3	125.1	171	-80.2	176.5	166	-175	-4.3	109.3
33	R	31.7	Very low	36.4	Very low	211 Å²	211	160.6 Å²	160.6	80%	0.796	81%	0.81	S	S	*	*			trans	-124.8	109.5	152.1	-81.5	-173.3	172.9	-171.3	-2.6	108.3	F35	R33-F35 HydrophobicContact CB-CD2 4.24Å; R33-F35 HydrophobicContact CB-CE2 4.11Å; R33-F35 PolarHBondContact O-N 3.36Å
34	S	40.7	Very low	37.1	Very low	119 Å²	119	164.6 Å²	164.6	83%	0.832	81%	0.812	S	S	*	*			trans	-69.6	115.2	168.8	54.5	0	0	0	0	108.7
35	F	32.4	Very low	37.9	Very low	164 Å²	164	164.1 Å²	164.1	72%	0.719	81%	0.805	S	S	*	*			trans	-116.7	113.4	158.9	-80.6	-84	0	0	0	107.6	R33 V37	R33-F35 HydrophobicContact CB-CD2 4.24Å; R33-F35 HydrophobicContact CB-CE2 4.11Å; R33-F35 PolarHBondContact O-N 3.36Å; F35-V37 PolarHBondContact O-N 3.04Å
36	R	38.4	Very low	38.9	Very low	253 Å²	253	160.2 Å²	160.2	96%	0.955	80%	0.8	S	S	*	*			trans	-60.3	103.5	163.1	-97.1	178.3	168.1	176.5	-3.7	106.6
37	V	34.6	Very low	39.6	Very low	127 Å²	127	162.3 Å²	162.3	77%	0.77	80%	0.795	S	S	*	*			trans	-88.8	103.8	161.3	-178.4	0	0	0	0	105.4	F35 A39	F35-V37 PolarHBondContact O-N 3.04Å; V37-A39 PolarHBondContact O-N 3.06Å
38	T	36.5	Very low	39.9	Very low	120 Å²	120	161.6 Å²	161.6	74%	0.736	79%	0.785	S	S	*	*			trans	-50.2	111.6	161.2	26.8	0	0	0	0	107.5	V40	T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 2.84Å
39	A	39.6	Very low	41	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	77%	0.766	S	S	*	*			trans	-62.8	94.7	168.6	0	0	0	0	0	107	V37 Q41	V37-A39 PolarHBondContact O-N 3.06Å; A39-Q41 VanDerWaalsContact C-N 3.29Å; A39-Q41 PolarHBondContact O-N 3.02Å
40	V	39	Very low	42.2	Very low	118 Å²	118	151.2 Å²	151.2	72%	0.715	76%	0.76	S	S	*	*			trans	-64.1	103.8	157.7	179.7	0	0	0	0	103.6	T38 Q42	T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 2.84Å; V40-Q42 HydrophobicContact CG1-CG 4.33Å; V40-Q42 PolarHBondContact O-N 2.93Å
41	Q	43	Very low	43.6	Very low	180 Å²	180	151 Å²	151	84%	0.841	76%	0.758	S	S	*	*			trans	-59.3	86.3	157.2	-87.6	176.8	-25.8	0	0	105.6	A39 Q43	A39-Q41 VanDerWaalsContact C-N 3.29Å; A39-Q41 PolarHBondContact O-N 3.02Å; Q41-Q43 PolarHBondContact O-N 2.76Å
42	Q	43.3	Very low	45.9	Very low	167 Å²	167	147.3 Å²	147.3	78%	0.78	74%	0.741	S	S	*	*			trans	-60.2	101.2	149.7	-85.3	-179.4	-15.4	0	0	103.5	V40 Q44	V40-Q42 HydrophobicContact CG1-CG 4.33Å; V40-Q42 PolarHBondContact O-N 2.93Å; Q42-Q44 PolarHBondContact O-N 2.82Å
43	Q	44.3	Very low	48.1	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	72%	0.724	S	S	*	*			trans	-47.5	102.5	151.2	-78.9	174.6	-23.6	0	0	104.5	Q41 Q45	Q41-Q43 PolarHBondContact O-N 2.76Å; Q43-Q45 PolarHBondContact O-N 2.83Å
44	Q	46.2	Very low	51	Low	182 Å²	182	133.1 Å²	133.1	85%	0.85	70%	0.695	S	S	*	*			trans	-57.6	100.8	157.5	-83.2	178.5	-21.4	0	0	102.9	Q42	Q42-Q44 PolarHBondContact O-N 2.82Å
45	Q	47.7	Very low	53.6	Low	167 Å²	167	136.3 Å²	136.3	78%	0.78	70%	0.697	S	S	*	*			trans	-51	130.2	162.1	-74.7	-155.6	-26.2	0	0	105.3	Q43 F47	Q43-Q45 PolarHBondContact O-N 2.83Å; Q45-F47 PolarHBondContact O-N 2.88Å
46	P	47.5	Very low	56.6	Low	118 Å²	118	135.3 Å²	135.3	77%	0.766	69%	0.692	S	S	*	*			trans	-50.5	121.3	169.7	-17.3	28.2	0	0	0	105.9	D48	P46-D48 VanDerWaalsContact C-N 3.3Å; P46-D48 PolarHBondContact O-N 2.94Å
47	F	48.6	Very low	59.2	Low	160 Å²	160	130 Å²	130	70%	0.702	69%	0.69	S	S	*	*			trans	-62.8	103.5	171.4	-173.8	-94.5	0	0	0	105.5	Q45 S49 E52	Q45-F47 PolarHBondContact O-N 2.88Å; F47-S49 VanDerWaalsContact C-N 3.26Å; F47-S49 PolarHBondContact O-N 3Å; F47-E52 VanDerWaalsContact CZ-OE2 3.32Å; F47-E52 WeakPolarHBondContact CZ-OE2 3.22Å
48	D	52.2	Low	62	Low	93 Å²	93	127.7 Å²	127.7	50%	0.497	69%	0.692	S	S	.	*			trans	-76	85.5	180	-171.7	2.9	0	0	0	107.9	P46 S50 L51	P46-D48 VanDerWaalsContact C-N 3.3Å; P46-D48 PolarHBondContact O-N 2.94Å; D48-S50 PolarHBondContact O-N 3.42Å; D48-S50 VanDerWaalsContact OD1-CB 3.22Å; D48-S50 WeakPolarHBondContact OD1-CB 3.32Å; D48-S50 PolarHBondContact OD1-N 3.32Å; D48-S50 PolarHBondContact OD1-OG 2.55Å; D48-S50 PolarHBondContact OD2-OG 3.22Å; D48-L51 PolarHBondContact O-N 3.11Å
49	S	54.5	Low	64.9	Low	65 Å²	65	125.3 Å²	125.3	46%	0.455	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-7.5	177.1	60.4	0	0	0	0	112.8	F47 L51	F47-S49 VanDerWaalsContact C-N 3.26Å; F47-S49 PolarHBondContact O-N 3Å; S49-L51 VanDerWaalsContact C-N 3.25Å; S49-L51 PolarHBondContact O-N 3.4Å
50	S	56.9	Low	67.5	Low	87 Å²	87	127.2 Å²	127.2	61%	0.608	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-12	177.6	78	0	0	0	0	114.2	D48	D48-S50 PolarHBondContact O-N 3.42Å; D48-S50 VanDerWaalsContact OD1-CB 3.22Å; D48-S50 WeakPolarHBondContact OD1-CB 3.32Å; D48-S50 PolarHBondContact OD1-N 3.32Å; D48-S50 PolarHBondContact OD1-OG 2.55Å; D48-S50 PolarHBondContact OD2-OG 3.22Å
51	L	65.4	Low	70.2	Confident	144 Å²	144	124.5 Å²	124.5	75%	0.754	68%	0.683	S	S	*	*	S	Bend	trans	-96.8	-24.1	177.2	-69.4	173.2	0	0	0	114.1	D48 S49	D48-L51 PolarHBondContact O-N 3.11Å; S49-L51 VanDerWaalsContact C-N 3.25Å; S49-L51 PolarHBondContact O-N 3.4Å
52	E	79.9	Confident	72.7	Confident	111 Å²	111	121.6 Å²	121.6	52%	0.519	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-90.1	117.7	-178.6	-166.8	172.5	-162.4	0	0	110	F47 F63	F47-E52 VanDerWaalsContact CZ-OE2 3.32Å; F47-E52 WeakPolarHBondContact CZ-OE2 3.22Å; E52-F63 HydrophobicContact CG-CE2 4.4Å; E52-F63 WeakPolarHBondContact O-CD2 3.36Å
53	K	88.1	Confident	75	Confident	123 Å²	123	118.8 Å²	118.8	54%	0.535	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-103.1	145.6	178.4	-70.1	-165	169.5	-141.2	0	111.4	Q55 E62	K53-Q55 PolarHBondContact O-N 3.32Å; K53-E62 IonicContact NZ-OE1 3.71Å; K53-E62 PolarHBondContact NZ-OE1 3.01Å; K53-E62 IonicContact NZ-OE2 3.88Å
54	P	92.5	Very high	77.4	Confident	30 Å²	30	115.7 Å²	115.7	20%	0.195	65%	0.647	C	S	.	*	P	Polyproline II helix	trans	-56.7	136.1	172.8	-22.2	32.1	0	0	0	111.7	F56 A61 F63	P54-F56 HydrophobicContact CB-CD2 3.89Å; P54-F56 HydrophobicContact CB-CE2 4.19Å; P54-A61 WeakPolarHBondContact CD-O 3.32Å; P54-A61 VanDerWaalsContact CG-O 3.32Å; P54-A61 WeakPolarHBondContact CG-O 3.45Å; P54-F63 HydrophobicContact CB-CE1 4.15Å; P54-F63 HydrophobicContact CB-CE2 4.21Å; P54-F63 HydrophobicContact CB-CZ 3.94Å; P54-F63 HydrophobicContact CG-CD1 3.77Å; P54-F63 HydrophobicContact CG-CD2 3.69Å; P54-F63 HydrophobicContact CG-CE1 3.79Å; P54-F63 HydrophobicContact CG-CE2 3.71Å; P54-F63 HydrophobicContact CG-CG 3.72Å; P54-F63 HydrophobicContact CG-CZ 3.75Å
55	Q	94.6	Very high	79.6	Confident	186 Å²	186	113.7 Å²	113.7	87%	0.869	64%	0.643	S	S	*	*			trans	-114.6	22.4	177.7	-61.9	-178.4	1.2	0	0	112.1	K53	K53-Q55 PolarHBondContact O-N 3.32Å
56	F	94.8	Very high	81.9	Confident	143 Å²	143	110 Å²	110	63%	0.627	63%	0.625	S	S	*	*			trans	-72.9	129.9	-178.7	-57.3	-67	0	0	0	110.6	P54 G58 F63	P54-F56 HydrophobicContact CB-CD2 3.89Å; P54-F56 HydrophobicContact CB-CE2 4.19Å; F56-G58 PolarHBondContact O-N 3.29Å; F56-F63 HydrophobicContact CE2-CE1 4.05Å; F56-F63 HydrophobicContact CE2-CZ 4.31Å
57	P	94.1	Very high	84.2	Confident	140 Å²	140	111.5 Å²	111.5	91%	0.909	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-15.1	-175.2	27.9	-35.8	0	0	0	114.2
58	G	94.3	Very high	86.5	Confident	79 Å²	79	110.7 Å²	110.7	81%	0.814	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-10.7	-172.8	0	0	0	0	0	115.7	F56	F56-G58 PolarHBondContact O-N 3.29Å
59	A	95.8	Very high	88.7	Confident	71 Å²	71	115 Å²	115	59%	0.587	64%	0.639	S	S	*	*			trans	-156.7	145	-178.6	0	0	0	0	0	111.5
60	S	95.3	Very high	90.7	Very high	133 Å²	133	119.9 Å²	119.9	93%	0.93	66%	0.658	S	S	*	*			trans	-95.8	107.3	167.1	179.4	0	0	0	0	108.6
61	A	94.8	Very high	92.6	Very high	60 Å²	60	124 Å²	124	50%	0.496	67%	0.668	S	S	.	*			trans	-148.1	167.1	-176.4	0	0	0	0	0	111.3	P54	P54-A61 WeakPolarHBondContact CD-O 3.32Å; P54-A61 VanDerWaalsContact CG-O 3.32Å; P54-A61 WeakPolarHBondContact CG-O 3.45Å
62	E	95	Very high	93.9	Very high	120 Å²	120	121.6 Å²	121.6	56%	0.561	66%	0.661	S	S	*	*			trans	-106	153.9	171.1	-61.9	-68.2	168	0	0	109.3	K53	K53-E62 IonicContact NZ-OE1 3.71Å; K53-E62 PolarHBondContact NZ-OE1 3.01Å; K53-E62 IonicContact NZ-OE2 3.88Å
63	F	93.1	Very high	94.5	Very high	107 Å²	107	121 Å²	121	47%	0.469	66%	0.661	S	S	.	*			trans	-70.9	146.9	171.8	-71.7	-60.1	0	0	0	110.8	E52 P54 F56	E52-F63 HydrophobicContact CG-CE2 4.4Å; E52-F63 WeakPolarHBondContact O-CD2 3.36Å; P54-F63 HydrophobicContact CB-CE1 4.15Å; P54-F63 HydrophobicContact CB-CE2 4.21Å; P54-F63 HydrophobicContact CB-CZ 3.94Å; P54-F63 HydrophobicContact CG-CD1 3.77Å; P54-F63 HydrophobicContact CG-CD2 3.69Å; P54-F63 HydrophobicContact CG-CE1 3.79Å; P54-F63 HydrophobicContact CG-CE2 3.71Å; P54-F63 HydrophobicContact CG-CG 3.72Å; P54-F63 HydrophobicContact CG-CZ 3.75Å; F56-F63 HydrophobicContact CE2-CE1 4.05Å; F56-F63 HydrophobicContact CE2-CZ 4.31Å
64	V	93.3	Very high	94.4	Very high	110 Å²	110	118.1 Å²	118.1	67%	0.667	65%	0.654	S	S	*	*			trans	-123.4	141.1	166.2	-64.3	0	0	0	0	108.4
65	D	92.9	Very high	94.1	Very high	141 Å²	141	125.1 Å²	125.1	75%	0.754	69%	0.688	S	S	*	*	S	Bend	trans	-98.1	3.7	-175.3	64.8	-10.6	0	0	0	113.5
66	H	95.6	Very high	93.8	Very high	90 Å²	90	119.6 Å²	119.6	42%	0.417	67%	0.674	S	S	.	*	S	Bend	trans	-127.1	144.2	179.3	51.6	-80.7	0	0	0	110.2	E68	H66-E68 IonicContact CD2-OE1 3.75Å; H66-E68 PolarHBondContact CD2-OE1 3.36Å; H66-E68 IonicContact CD2-OE2 4Å; H66-E68 IonicContact NE2-OE1 3.42Å; H66-E68 PolarHBondContact NE2-OE1 3.12Å; H66-E68 IonicContact NE2-OE2 3.84Å; H66-E68 PolarHBondContact O-N 3.29Å
67	L	97.1	Very high	93.7	Very high	148 Å²	148	114 Å²	114	78%	0.775	66%	0.657	S	S	*	*			trans	-79.7	108.9	-179	-173.9	159.3	0	0	0	109.4	F69	L67-F69 HydrophobicContact CD2-CD2 4.13Å; L67-F69 HydrophobicContact CD2-CE2 3.82Å
68	E	97.4	Very high	93.9	Very high	143 Å²	143	109.6 Å²	109.6	67%	0.668	63%	0.625	S	S	*	*			trans	-131.4	133.3	174.1	-81.9	178.7	-168	0	0	111	H66	H66-E68 IonicContact CD2-OE1 3.75Å; H66-E68 PolarHBondContact CD2-OE1 3.36Å; H66-E68 IonicContact CD2-OE2 4Å; H66-E68 IonicContact NE2-OE1 3.42Å; H66-E68 PolarHBondContact NE2-OE1 3.12Å; H66-E68 IonicContact NE2-OE2 3.84Å; H66-E68 PolarHBondContact O-N 3.29Å
69	F	97.5	Very high	94.1	Very high	184 Å²	184	111 Å²	111	81%	0.807	62%	0.619	S	S	*	*			trans	-88.9	138.2	170.1	-72.5	-81.2	0	0	0	109.8	L67 Q71	L67-F69 HydrophobicContact CD2-CD2 4.13Å; L67-F69 HydrophobicContact CD2-CE2 3.82Å; F69-Q71 PolarHBondContact O-N 3.34Å
70	I	96.8	Very high	94.2	Very high	168 Å²	168	111.2 Å²	111.2	86%	0.862	61%	0.613	S	S	*	*			trans	-73.7	115.1	170.2	-53.4	-57.2	0	0	0	108.8
71	Q	95.8	Very high	94.4	Very high	172 Å²	172	107.2 Å²	107.2	80%	0.804	58%	0.578	S	S	*	*			trans	-89.1	133	-179.8	-171.9	171.3	-11.1	0	0	111.2	F69 N73	F69-Q71 PolarHBondContact O-N 3.34Å; Q71-N73 PolarHBondContact O-N 2.76Å
72	P	94.3	Very high	94.6	Very high	95 Å²	95	109.9 Å²	109.9	62%	0.617	58%	0.576	S	S	*	*			trans	-63.3	132.9	172.9	-22.5	33.9	0	0	0	112	V74	P72-V74 HydrophobicContact CB-CG2 3.94Å; P72-V74 PolarHBondContact O-N 3.46Å
73	N	91.9	Very high	94.8	Very high	99 Å²	99	104.2 Å²	104.2	53%	0.529	55%	0.549	S	S	.	.			trans	-90.1	91.4	169.7	-178.5	13	0	0	0	110.4	Q71 A76	Q71-N73 PolarHBondContact O-N 2.76Å; N73-A76 PolarHBondContact ND2-O 2.8Å; N73-A76 PolarHBondContact OD1-N 3.16Å; N73-A76 VanDerWaalsContact OD1-N 3.12Å; N73-A76 PolarHBondContact OD1-O 3.24Å
74	V	86.6	Confident	95	Very high	62 Å²	62	99.1 Å²	99.1	38%	0.376	53%	0.526	S	S	.	.			trans	-100.7	-27.4	-179.8	-174	0	0	0	0	112.3	P72	P72-V74 HydrophobicContact CB-CG2 3.94Å; P72-V74 PolarHBondContact O-N 3.46Å
75	I	84.8	Confident	95.3	Very high	177 Å²	177	95.6 Å²	95.6	91%	0.908	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-41	-176.5	-57.5	174.6	0	0	0	110.8
76	A	89.3	Confident	95.5	Very high	69 Å²	69	93.2 Å²	93.2	57%	0.57	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	58.6	174.6	0	0	0	0	0	109.3	N73	N73-A76 PolarHBondContact ND2-O 2.8Å; N73-A76 PolarHBondContact OD1-N 3.16Å; N73-A76 VanDerWaalsContact OD1-N 3.12Å; N73-A76 PolarHBondContact OD1-O 3.24Å
77	G	92.9	Very high	95.7	Very high	26 Å²	26	94.7 Å²	94.7	27%	0.268	49%	0.492	S	S	.	.			trans	-63.1	-177.2	-176.2	0	0	0	0	0	114.6	D284	G77-D284 VanDerWaalsContact CA-CG 3.45Å; G77-D284 WeakPolarHBondContact CA-OD2 3.08Å
78	I	97.8	Very high	95.7	Very high	48 Å²	48	87.9 Å²	87.9	25%	0.246	46%	0.457	C	S	.	.	S	Bend	trans	-52.2	126.1	175.8	-66	173.5	0	0	0	109	D284 A287 A288 R299	I78-D284 PolarHBondContact N-OD2 3.42Å; I78-A287 HydrophobicContact CD1-CB 3.81Å; I78-A288 HydrophobicContact CD1-CB 4.02Å; I78-R299 HydrophobicContact CG2-CB 3.86Å; I78-R299 PolarHBondContact O-NH1 3.09Å
79	P	98.4	Very high	95.8	Very high	107 Å²	107	88.1 Å²	88.1	70%	0.695	46%	0.456	S	S	*	.			trans	-66.7	151.3	-176.3	28.1	-35.6	0	0	0	111.5
80	V	98.7	Very high	95.8	Very high	76 Å²	76	80.6 Å²	80.6	46%	0.461	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	109.3	178.5	-174.2	0	0	0	0	109.2	R299 V300 D301 M331	V80-R299 HydrophobicContact CG2-CG 4.09Å; V80-V300 VanDerWaalsContact CG1-C 3.47Å; V80-D301 HydrophobicContact CG1-CB 3.9Å; V80-D301 VanDerWaalsContact CG1-N 3.28Å; V80-M331 HydrophobicContact CG1-CG 4.41Å; V80-M331 HydrophobicContact CG2-CG 4.21Å
81	Y	98.9	Very high	95.9	Very high	50 Å²	50	76.7 Å²	76.7	20%	0.196	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.1	176.8	172.2	-110.4	0	0	0	111.5	V83 E95 I298 R299 V300 D301 A307 N310	Y81-V83 HydrophobicContact CE1-CG2 3.95Å; Y81-V83 HydrophobicContact CE2-CG2 4.49Å; Y81-V83 WeakPolarHBondContact OH-CG2 3.14Å; Y81-E95 HydrophobicContact CE2-CG 4.42Å; Y81-E95 PolarHBondContact OH-OE2 3.36Å; Y81-I298 HydrophobicContact CG-CD1 4.43Å; Y81-R299 WeakPolarHBondContact CB-O 3.42Å; Y81-R299 PolarHBondContact N-O 3.08Å; Y81-V300 HydrophobicContact CD1-CG1 4.06Å; Y81-D301 PolarHBondContact O-N 3.44Å; Y81-A307 HydrophobicContact CD1-CB 3.84Å; Y81-A307 HydrophobicContact CE1-CB 3.88Å; Y81-N310 HydrophobicContact CE1-CB 4.05Å; Y81-N310 PolarHBondContact OH-ND2 2.91Å
82	R	98.8	Very high	96.1	Very high	116 Å²	116	72 Å²	72	44%	0.438	38%	0.384	S	S	.	.			trans	-148.3	140.1	-174.3	-171.2	170.7	66.9	-174.7	-0.5	110.9	M84 I91 D301 D304	R82-M84 WeakPolarHBondContact CD-O 3.41Å; R82-M84 WeakPolarHBondContact CG-O 3.46Å; R82-I91 HydrophobicContact CG-CD1 4.04Å; R82-I91 VanDerWaalsContact NE-CD1 3.34Å; R82-D301 HydrophobicContact CB-CB 4.17Å; R82-D301 WeakPolarHBondContact CD-OD2 3.33Å; R82-D301 HydrophobicContact CG-CB 4.14Å; R82-D301 WeakPolarHBondContact CG-OD2 3.46Å; R82-D304 HydrophobicContact CG-CB 4.48Å; R82-D304 WeakPolarHBondContact CG-OD2 3.17Å
83	V	98.9	Very high	96.2	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.385	C	S	.	.	S	Bend	trans	-106.2	-45.6	-177.4	173.8	0	0	0	0	111.4	Y81 I90 I91 E95 D304 F306 A307	Y81-V83 HydrophobicContact CE1-CG2 3.95Å; Y81-V83 HydrophobicContact CE2-CG2 4.49Å; Y81-V83 WeakPolarHBondContact OH-CG2 3.14Å; V83-I90 HydrophobicContact CG1-CD1 3.86Å; V83-I91 PolarHBondContact O-N 3.44Å; V83-E95 HydrophobicContact CG2-CB 4.45Å; V83-D304 WeakPolarHBondContact CA-OD2 3.4Å; V83-D304 PolarHBondContact N-OD2 2.87Å; V83-F306 HydrophobicContact CB-CB 3.91Å; V83-F306 HydrophobicContact CG1-CB 3.8Å; V83-F306 HydrophobicContact CG1-CD2 4.45Å; V83-F306 HydrophobicContact CG2-CB 4.28Å; V83-A307 HydrophobicContact CG2-CB 4.07Å
84	M	98.5	Very high	96.6	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-117.8	148.5	176.7	60	175	175.8	0	0	112.1	R82 K89 I90 D304 V305 F306 R365	R82-M84 WeakPolarHBondContact CD-O 3.41Å; R82-M84 WeakPolarHBondContact CG-O 3.46Å; M84-K89 CarbonylContact C-O 3.52Å; M84-K89 WeakPolarHBondContact CA-O 3.31Å; M84-I90 HydrophobicContact CB-CD1 4.36Å; M84-D304 WeakPolarHBondContact CG-OD1 3.33Å; M84-D304 PolarHBondContact N-OD2 3.13Å; M84-V305 HydrophobicContact CE-CG1 4.06Å; M84-F306 HydrophobicContact CE-CD2 4.34Å; M84-F306 HydrophobicContact CG-CD2 4.33Å; M84-F306 HydrophobicContact SD-CD2 3.92Å; M84-F306 HydrophobicContact SD-CE2 4.04Å; M84-R365 HydrophobicContact CE-CB 4.02Å; M84-R365 PolarHBondContact O-NH2 3.01Å
85	D	98.6	Very high	97.1	Very high	37 Å²	37	72.2 Å²	72.2	20%	0.198	39%	0.388	C	S	.	.			trans	-76	-175.8	172	68.3	20.6	0	0	0	112.3	Q87 G88 K89 I91 R365	D85-Q87 PolarHBondContact O-N 2.91Å; D85-Q87 VanDerWaalsContact OD1-CA 3.31Å; D85-Q87 WeakPolarHBondContact OD1-CA 3.11Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.33Å; D85-Q87 PolarHBondContact OD1-N 2.79Å; D85-G88 PolarHBondContact O-N 3.1Å; D85-G88 VanDerWaalsContact O-N 3.11Å; D85-G88 PolarHBondContact OD1-N 2.74Å; D85-G88 VanDerWaalsContact OD1-N 3.12Å; D85-K89 PolarHBondContact N-O 2.71Å; D85-K89 PolarHBondContact OD1-N 2.97Å; D85-I91 HydrophobicContact CB-CD1 4.25Å; D85-I91 HydrophobicContact CB-CG1 4.19Å; D85-R365 PolarHBondContact O-NE 2.78Å
86	R	98.1	Very high	97.8	Very high	91 Å²	91	64.5 Å²	64.5	34%	0.343	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.1	179.8	-67.9	-179.9	-63.6	178	-0.2	113	G88 Y355 D360	R86-G88 VanDerWaalsContact C-N 3.26Å; R86-Y355 PolarHBondContact NH1-OH 2.91Å; R86-D360 WeakPolarHBondContact CD-OD2 3.43Å; R86-D360 HydrophobicContact CG-CB 4.46Å
87	Q	98.1	Very high	98.2	Very high	121 Å²	121	62.8 Å²	62.8	57%	0.565	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	6.7	176.7	-68.3	64.9	53.1	0	0	111.3	D85 K89 H368	D85-Q87 PolarHBondContact O-N 2.91Å; D85-Q87 VanDerWaalsContact OD1-CA 3.31Å; D85-Q87 WeakPolarHBondContact OD1-CA 3.11Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.33Å; D85-Q87 PolarHBondContact OD1-N 2.79Å; Q87-K89 VanDerWaalsContact C-N 3.25Å; Q87-K89 PolarHBondContact O-N 2.87Å; Q87-H368 VanDerWaalsContact O-CB 3.24Å; Q87-H368 WeakPolarHBondContact O-CB 3.47Å
88	G	98.2	Very high	98.4	Very high	4 Å²	4	67.7 Å²	67.7	4%	0.041	35%	0.347	C	S	.	.	S	Bend	trans	70.5	19.7	-179.6	0	0	0	0	0	113.2	D85 R86 Y369	D85-G88 PolarHBondContact O-N 3.1Å; D85-G88 VanDerWaalsContact O-N 3.11Å; D85-G88 PolarHBondContact OD1-N 2.74Å; D85-G88 VanDerWaalsContact OD1-N 3.12Å; R86-G88 VanDerWaalsContact C-N 3.26Å; G88-Y369 WeakPolarHBondContact O-CA 3.4Å; G88-Y369 WeakPolarHBondContact O-CB 3.49Å; G88-Y369 WeakPolarHBondContact O-CD2 3.28Å
89	K	98.6	Very high	98.4	Very high	149 Å²	149	66.4 Å²	66.4	65%	0.648	34%	0.341	S	S	*	.			trans	-90.7	130.9	175.2	-174.9	-175.9	175.7	-175.4	0	109.8	M84 D85 Q87 I91	M84-K89 CarbonylContact C-O 3.52Å; M84-K89 WeakPolarHBondContact CA-O 3.31Å; D85-K89 PolarHBondContact N-O 2.71Å; D85-K89 PolarHBondContact OD1-N 2.97Å; Q87-K89 VanDerWaalsContact C-N 3.25Å; Q87-K89 PolarHBondContact O-N 2.87Å; K89-I91 PolarHBondContact O-N 3.08Å
90	I	98.8	Very high	98.4	Very high	26 Å²	26	64.2 Å²	64.2	13%	0.133	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-60.9	126.6	172.3	-61.6	-63.1	0	0	0	109.5	V83 M84 D96 F306 Y369	V83-I90 HydrophobicContact CG1-CD1 3.86Å; M84-I90 HydrophobicContact CB-CD1 4.36Å; I90-D96 HydrophobicContact CD1-CB 4.2Å; I90-D96 HydrophobicContact CG1-CB 4.36Å; I90-D96 HydrophobicContact CG2-CB 3.97Å; I90-F306 HydrophobicContact CD1-CD2 4.34Å; I90-Y369 HydrophobicContact CD1-CD2 4.38Å; I90-Y369 HydrophobicContact CD1-CE2 3.89Å; I90-Y369 HydrophobicContact CG1-CE2 3.98Å
91	I	98.7	Very high	98.4	Very high	85 Å²	85	65.2 Å²	65.2	44%	0.436	33%	0.326	S	S	.	.	S	Bend	trans	-82	-51.2	-177.3	-60.4	169.9	0	0	0	110	R82 V83 D85 K89	R82-I91 HydrophobicContact CG-CD1 4.04Å; R82-I91 VanDerWaalsContact NE-CD1 3.34Å; V83-I91 PolarHBondContact O-N 3.44Å; D85-I91 HydrophobicContact CB-CD1 4.25Å; D85-I91 HydrophobicContact CB-CG1 4.19Å; K89-I91 PolarHBondContact O-N 3.08Å
92	N	98.6	Very high	98.4	Very high	73 Å²	73	70.5 Å²	70.5	39%	0.39	35%	0.353	S	S	.	.			trans	-121.1	111.7	178.5	-178	6.1	0	0	0	110.1	S94 E95	N92-S94 VanDerWaalsContact CG-OG 3.31Å; N92-S94 PolarHBondContact ND2-OG 3.07Å; N92-S94 PolarHBondContact O-N 3.31Å; N92-S94 VanDerWaalsContact O-N 3.17Å; N92-S94 PolarHBondContact OD1-N 3.2Å; N92-S94 PolarHBondContact OD1-OG 3.23Å; N92-E95 HydrophobicContact CB-CB 4.49Å; N92-E95 HydrophobicContact CB-CG 4.21Å; N92-E95 PolarHBondContact O-N 3.24Å
93	P	98.1	Very high	98.4	Very high	99 Å²	99	67.2 Å²	67.2	64%	0.643	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-58.5	-25.3	179.9	-26.7	35.8	0	0	0	115.3	E95 D96	P93-E95 PolarHBondContact O-N 2.87Å; P93-D96 PolarHBondContact O-N 3.14Å
94	S	98.4	Very high	98.4	Very high	87 Å²	87	67.2 Å²	67.2	61%	0.608	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-69.9	-20	177	71.5	0	0	0	0	113.3	N92	N92-S94 VanDerWaalsContact CG-OG 3.31Å; N92-S94 PolarHBondContact ND2-OG 3.07Å; N92-S94 PolarHBondContact O-N 3.31Å; N92-S94 VanDerWaalsContact O-N 3.17Å; N92-S94 PolarHBondContact OD1-N 3.2Å; N92-S94 PolarHBondContact OD1-OG 3.23Å
95	E	98.6	Very high	98.4	Very high	75 Å²	75	68.7 Å²	68.7	35%	0.35	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-101.3	-2.5	-179.4	-58.4	-56.3	141.1	0	0	112.7	Y81 V83 N92 P93 P97 N310	Y81-E95 HydrophobicContact CE2-CG 4.42Å; Y81-E95 PolarHBondContact OH-OE2 3.36Å; V83-E95 HydrophobicContact CG2-CB 4.45Å; N92-E95 HydrophobicContact CB-CB 4.49Å; N92-E95 HydrophobicContact CB-CG 4.21Å; N92-E95 PolarHBondContact O-N 3.24Å; P93-E95 PolarHBondContact O-N 2.87Å; E95-P97 VanDerWaalsContact O-CD 3.32Å; E95-P97 WeakPolarHBondContact O-CD 3.22Å; E95-N310 PolarHBondContact O-ND2 2.87Å
96	D	98.5	Very high	98.4	Very high	16 Å²	16	69.1 Å²	69.1	9%	0.086	36%	0.356	C	S	.	.			trans	-67	118.6	173.5	-178.4	-10.9	0	0	0	108.6	I90 P93 Q98 R373	I90-D96 HydrophobicContact CD1-CB 4.2Å; I90-D96 HydrophobicContact CG1-CB 4.36Å; I90-D96 HydrophobicContact CG2-CB 3.97Å; P93-D96 PolarHBondContact O-N 3.14Å; D96-Q98 VanDerWaalsContact CB-NE2 3.32Å; D96-Q98 PolarHBondContact O-N 2.75Å; D96-Q98 PolarHBondContact OD1-N 2.88Å; D96-Q98 PolarHBondContact OD2-NE2 2.93Å; D96-R373 IonicContact OD2-NH2 2.74Å; D96-R373 PolarHBondContact OD2-NH2 3.18Å
97	P	98.1	Very high	98.5	Very high	33 Å²	33	64.8 Å²	64.8	21%	0.214	34%	0.339	C	S	.	.			trans	-67.6	-4.9	-178.2	26.7	-34	0	0	0	114.1	E95 L99 F306 Y309 N310	E95-P97 VanDerWaalsContact O-CD 3.32Å; E95-P97 WeakPolarHBondContact O-CD 3.22Å; P97-L99 HydrophobicContact CB-CD1 4.45Å; P97-L99 HydrophobicContact CB-CD2 4.25Å; P97-L99 HydrophobicContact CB-CG 3.89Å; P97-L99 HydrophobicContact CG-CD1 4.17Å; P97-L99 HydrophobicContact CG-CG 3.92Å; P97-L99 PolarHBondContact O-N 2.83Å; P97-L99 VanDerWaalsContact O-N 3.13Å; P97-F306 HydrophobicContact CG-CB 4.16Å; P97-F306 HydrophobicContact CG-CD1 3.97Å; P97-F306 HydrophobicContact CG-CG 4.13Å; P97-Y309 HydrophobicContact CB-CD1 4.13Å; P97-Y309 HydrophobicContact CB-CE1 4.19Å; P97-N310 WeakPolarHBondContact CB-OD1 3.47Å
98	Q	97.4	Very high	98.5	Very high	128 Å²	128	59.1 Å²	59.1	60%	0.598	31%	0.313	S	S	*	.			trans	53	36.2	179.4	-57.6	-57.7	-38.1	0	0	112.7	D96	D96-Q98 VanDerWaalsContact CB-NE2 3.32Å; D96-Q98 PolarHBondContact O-N 2.75Å; D96-Q98 PolarHBondContact OD1-N 2.88Å; D96-Q98 PolarHBondContact OD2-NE2 2.93Å
99	L	98.3	Very high	98.5	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.115	32%	0.324	C	S	.	.			trans	-63.9	146.1	179	-62.2	179.4	0	0	0	111.1	P97 T103 V104 F107 F306 Y309	P97-L99 HydrophobicContact CB-CD1 4.45Å; P97-L99 HydrophobicContact CB-CD2 4.25Å; P97-L99 HydrophobicContact CB-CG 3.89Å; P97-L99 HydrophobicContact CG-CD1 4.17Å; P97-L99 HydrophobicContact CG-CG 3.92Å; P97-L99 PolarHBondContact O-N 2.83Å; P97-L99 VanDerWaalsContact O-N 3.13Å; L99-T103 HydrophobicContact CB-CG2 4.41Å; L99-T103 HydrophobicContact CD1-CG2 4.25Å; L99-V104 HydrophobicContact CB-CG2 3.86Å; L99-F107 HydrophobicContact CD1-CE2 3.6Å; L99-F107 HydrophobicContact CD1-CZ 3.82Å; L99-F306 HydrophobicContact CD1-CD1 4.17Å; L99-F306 HydrophobicContact CD1-CE1 4.1Å; L99-Y309 HydrophobicContact CD1-CD1 4.23Å; L99-Y309 HydrophobicContact CD1-CD2 4.47Å; L99-Y309 HydrophobicContact CD1-CE1 4.28Å; L99-Y309 HydrophobicContact CD1-CE2 4.48Å; L99-Y309 HydrophobicContact CD1-CG 4.34Å; L99-Y309 HydrophobicContact CD2-CE1 3.84Å; L99-Y309 HydrophobicContact CD2-CE2 4.5Å; L99-Y309 HydrophobicContact CG-CE1 4.47Å
100	S	98.5	Very high	98.5	Very high	61 Å²	61	56.9 Å²	56.9	43%	0.427	30%	0.303	S	S	.	.			trans	-63.1	154.3	178.4	81.1	0	0	0	0	111.4	E102 T103 V104	S100-E102 PolarHBondContact O-N 3.34Å; S100-T103 PolarHBondContact O-N 3.33Å; S100-T103 PolarHBondContact OG-N 3.01Å; S100-T103 VanDerWaalsContact OG-N 3.15Å; S100-T103 PolarHBondContact OG-OG1 3Å; S100-V104 WeakPolarHBondContact O-CG2 3.4Å; S100-V104 PolarHBondContact O-N 3.31Å; S100-V104 VanDerWaalsContact O-N 3.08Å
101	K	98.6	Very high	98.6	Very high	97 Å²	97	55.7 Å²	55.7	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-52.7	-42.9	173.8	176.5	176.7	176.4	176.8	0	111.5	V104 L105 W375	K101-V104 PolarHBondContact O-N 3.11Å; K101-L105 HydrophobicContact CD-CD1 4.44Å; K101-L105 HydrophobicContact CG-CD1 3.87Å; K101-L105 HydrophobicContact CG-CG 4.21Å; K101-L105 WeakPolarHBondContact O-CB 3.05Å; K101-L105 VanDerWaalsContact O-CG 3.24Å; K101-L105 WeakPolarHBondContact O-CG 3.39Å; K101-L105 PolarHBondContact O-N 3.12Å; K101-W375 HydrophobicContact CB-CD2 4Å; K101-W375 HydrophobicContact CB-CE3 4.16Å; K101-W375 HydrophobicContact CB-CG 4.47Å; K101-W375 HydrophobicContact CB-CH2 4.48Å; K101-W375 HydrophobicContact CB-CZ2 4.35Å; K101-W375 HydrophobicContact CB-CZ3 4.39Å; K101-W375 HydrophobicContact CD-CB 4.14Å; K101-W375 HydrophobicContact CD-CD2 4.21Å; K101-W375 HydrophobicContact CD-CG 3.78Å; K101-W375 HydrophobicContact CG-CB 4.17Å; K101-W375 HydrophobicContact CG-CD2 3.82Å; K101-W375 HydrophobicContact CG-CE3 4.13Å; K101-W375 HydrophobicContact CG-CG 3.82Å
102	E	98.6	Very high	98.6	Very high	161 Å²	161	52.2 Å²	52.2	75%	0.752	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-46.9	-180	-176.3	-177.8	173.6	0	0	112	S100 V104 L105 N106	S100-E102 PolarHBondContact O-N 3.34Å; E102-V104 VanDerWaalsContact C-N 3.35Å; E102-V104 PolarHBondContact O-N 3.31Å; E102-L105 PolarHBondContact O-N 2.87Å; E102-N106 WeakPolarHBondContact O-CB 3.32Å; E102-N106 PolarHBondContact O-N 2.74Å
103	T	98.5	Very high	98.6	Very high	46 Å²	46	49.6 Å²	49.6	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-45.1	178.2	-58.7	0	0	0	0	111.2	L99 S100 N106 F107	L99-T103 HydrophobicContact CB-CG2 4.41Å; L99-T103 HydrophobicContact CD1-CG2 4.25Å; S100-T103 PolarHBondContact O-N 3.33Å; S100-T103 PolarHBondContact OG-N 3.01Å; S100-T103 VanDerWaalsContact OG-N 3.15Å; S100-T103 PolarHBondContact OG-OG1 3Å; T103-N106 WeakPolarHBondContact O-CB 3.47Å; T103-N106 PolarHBondContact O-N 3.32Å; T103-F107 HydrophobicContact CG2-CD1 4.32Å; T103-F107 HydrophobicContact CG2-CE1 3.56Å; T103-F107 HydrophobicContact CG2-CE2 4.49Å; T103-F107 HydrophobicContact CG2-CZ 3.67Å; T103-F107 WeakPolarHBondContact O-CD1 3.31Å; T103-F107 PolarHBondContact O-N 3.37Å
104	V	98.8	Very high	98.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-40.7	179.7	177.3	0	0	0	0	111.9	L99 S100 K101 E102 N106 F107 Y108 F306 L366 Y369 M370 W375	L99-V104 HydrophobicContact CB-CG2 3.86Å; S100-V104 WeakPolarHBondContact O-CG2 3.4Å; S100-V104 PolarHBondContact O-N 3.31Å; S100-V104 VanDerWaalsContact O-N 3.08Å; K101-V104 PolarHBondContact O-N 3.11Å; E102-V104 VanDerWaalsContact C-N 3.35Å; E102-V104 PolarHBondContact O-N 3.31Å; V104-N106 VanDerWaalsContact C-N 3.33Å; V104-N106 PolarHBondContact O-N 2.89Å; V104-F107 WeakPolarHBondContact O-CB 3.42Å; V104-F107 PolarHBondContact O-N 2.92Å; V104-Y108 PolarHBondContact O-N 3.24Å; V104-Y108 VanDerWaalsContact O-N 3.11Å; V104-F306 HydrophobicContact CG1-CZ 4.26Å; V104-F306 HydrophobicContact CG2-CE1 4.01Å; V104-F306 HydrophobicContact CG2-CZ 4.06Å; V104-L366 HydrophobicContact CG1-CD1 3.84Å; V104-L366 HydrophobicContact CG1-CG 4.39Å; V104-Y369 HydrophobicContact CG1-CD1 4.18Å; V104-Y369 HydrophobicContact CG1-CE1 4.04Å; V104-Y369 HydrophobicContact CG2-CE1 4.47Å; V104-M370 HydrophobicContact CG1-CG 3.77Å; V104-M370 HydrophobicContact CG1-SD 3.99Å; V104-W375 HydrophobicContact CB-CE3 4.42Å; V104-W375 HydrophobicContact CB-CZ3 4.12Å; V104-W375 HydrophobicContact CG1-CE3 4.4Å; V104-W375 HydrophobicContact CG1-CZ3 4.32Å; V104-W375 HydrophobicContact CG2-CZ3 4.07Å
105	L	98.8	Very high	98.6	Very high	32 Å²	32	41.5 Å²	41.5	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-42.6	173.8	-74.9	176	0	0	0	111.4	K101 E102 F107 Y108 Q109 M370 W376	K101-L105 HydrophobicContact CD-CD1 4.44Å; K101-L105 HydrophobicContact CG-CD1 3.87Å; K101-L105 HydrophobicContact CG-CG 4.21Å; K101-L105 WeakPolarHBondContact O-CB 3.05Å; K101-L105 VanDerWaalsContact O-CG 3.24Å; K101-L105 WeakPolarHBondContact O-CG 3.39Å; K101-L105 PolarHBondContact O-N 3.12Å; E102-L105 PolarHBondContact O-N 2.87Å; L105-F107 VanDerWaalsContact C-N 3.31Å; L105-F107 PolarHBondContact O-N 3.11Å; L105-Y108 PolarHBondContact O-N 3.42Å; L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 VanDerWaalsContact O-CG 3.3Å; L105-Q109 WeakPolarHBondContact O-CG 3.22Å; L105-Q109 PolarHBondContact O-N 3.48Å; L105-M370 HydrophobicContact CD2-SD 3.82Å; L105-W376 HydrophobicContact CD2-CD2 4.37Å; L105-W376 HydrophobicContact CD2-CE3 3.36Å; L105-W376 HydrophobicContact CD2-CZ3 3.73Å
106	N	98.8	Very high	98.6	Very high	46 Å²	46	38.9 Å²	38.9	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-42.2	174.8	-176.1	50.2	0	0	0	110.8	E102 T103 V104 Y108 Q109 K110 Y168	E102-N106 WeakPolarHBondContact O-CB 3.32Å; E102-N106 PolarHBondContact O-N 2.74Å; T103-N106 WeakPolarHBondContact O-CB 3.47Å; T103-N106 PolarHBondContact O-N 3.32Å; V104-N106 VanDerWaalsContact C-N 3.33Å; V104-N106 PolarHBondContact O-N 2.89Å; N106-Y108 VanDerWaalsContact C-N 3.34Å; N106-Y108 PolarHBondContact O-N 3.36Å; N106-Q109 PolarHBondContact O-N 3.37Å; N106-K110 WeakPolarHBondContact O-CB 3.1Å; N106-K110 VanDerWaalsContact O-CG 3.23Å; N106-K110 WeakPolarHBondContact O-CG 3.42Å; N106-K110 PolarHBondContact O-N 2.81Å; N106-K110 VanDerWaalsContact OD1-CE 3.24Å; N106-K110 WeakPolarHBondContact OD1-CE 3.35Å; N106-Y168 VanDerWaalsContact ND2-CE2 3.33Å; N106-Y168 WeakPolarHBondContact ND2-CE2 3.35Å
107	F	98.8	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-50.2	176.2	-67.8	2.4	0	0	0	111.4	L99 T103 V104 L105 K110 M111 I144 A148 Y168 V305 Y309 L366	L99-F107 HydrophobicContact CD1-CE2 3.6Å; L99-F107 HydrophobicContact CD1-CZ 3.82Å; T103-F107 HydrophobicContact CG2-CD1 4.32Å; T103-F107 HydrophobicContact CG2-CE1 3.56Å; T103-F107 HydrophobicContact CG2-CE2 4.49Å; T103-F107 HydrophobicContact CG2-CZ 3.67Å; T103-F107 WeakPolarHBondContact O-CD1 3.31Å; T103-F107 PolarHBondContact O-N 3.37Å; V104-F107 WeakPolarHBondContact O-CB 3.42Å; V104-F107 PolarHBondContact O-N 2.92Å; L105-F107 VanDerWaalsContact C-N 3.31Å; L105-F107 PolarHBondContact O-N 3.11Å; F107-K110 PolarHBondContact O-N 3.46Å; F107-M111 WeakPolarHBondContact O-CG 3.48Å; F107-M111 PolarHBondContact O-N 3.13Å; F107-I144 HydrophobicContact CB-CG2 3.77Å; F107-I144 HydrophobicContact CD1-CG2 3.88Å; F107-I144 HydrophobicContact CG-CG2 3.87Å; F107-A148 HydrophobicContact CD1-CB 4.23Å; F107-A148 HydrophobicContact CE1-CB 3.2Å; F107-A148 HydrophobicContact CE2-CB 4.41Å; F107-A148 HydrophobicContact CZ-CB 3.31Å; F107-Y168 AromaticContact CD1-CE2 3.83Å; F107-Y168 HydrophobicContact CD1-CE2 3.83Å; F107-Y168 AromaticContact CE1-CE2 3.79Å; F107-Y168 HydrophobicContact CE1-CE2 3.79Å; F107-V305 HydrophobicContact CD2-CG1 4.31Å; F107-V305 HydrophobicContact CD2-CG2 3.77Å; F107-V305 HydrophobicContact CE2-CG2 4.3Å; F107-V305 HydrophobicContact CG-CG2 4.44Å; F107-Y309 HydrophobicContact CE2-CD2 4.45Å; F107-Y309 HydrophobicContact CZ-CD2 4.05Å; F107-Y309 HydrophobicContact CZ-CE2 4.38Å; F107-L366 HydrophobicContact CB-CD2 3.83Å
108	Y	98.9	Very high	98.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-46.6	-179.2	-174.7	-107.3	0	0	0	112.6	V104 L105 N106 K110 M111 T112 I363 L366 R367 M370 W376 E381	V104-Y108 PolarHBondContact O-N 3.24Å; V104-Y108 VanDerWaalsContact O-N 3.11Å; L105-Y108 PolarHBondContact O-N 3.42Å; N106-Y108 VanDerWaalsContact C-N 3.34Å; N106-Y108 PolarHBondContact O-N 3.36Å; Y108-K110 PolarHBondContact O-N 3Å; Y108-M111 PolarHBondContact O-N 3.4Å; Y108-T112 HydrophobicContact CD1-CG2 4.41Å; Y108-T112 HydrophobicContact CD2-CG2 4.4Å; Y108-T112 HydrophobicContact CE1-CG2 4.02Å; Y108-T112 HydrophobicContact CE2-CG2 4Å; Y108-T112 WeakPolarHBondContact O-CB 3.22Å; Y108-T112 WeakPolarHBondContact O-CG2 3.39Å; Y108-T112 PolarHBondContact O-N 2.88Å; Y108-T112 PolarHBondContact O-OG1 3.24Å; Y108-I363 HydrophobicContact CD2-CG2 4.42Å; Y108-I363 HydrophobicContact CE2-CG2 3.63Å; Y108-L366 HydrophobicContact CD2-CB 4.41Å; Y108-L366 HydrophobicContact CD2-CD2 4.32Å; Y108-L366 HydrophobicContact CD2-CG 4.49Å; Y108-R367 HydrophobicContact CE2-CB 3.75Å; Y108-R367 HydrophobicContact CE2-CG 4.42Å; Y108-R367 WeakPolarHBondContact OH-CD 3.47Å; Y108-M370 HydrophobicContact CD1-CE 3.53Å; Y108-M370 HydrophobicContact CD2-CE 3.47Å; Y108-M370 VanDerWaalsContact CD2-CE 3.47Å; Y108-M370 HydrophobicContact CE1-CE 4.03Å; Y108-M370 HydrophobicContact CE2-CE 3.99Å; Y108-M370 HydrophobicContact CG-CE 3.2Å; Y108-M370 HydrophobicContact CG-SD 4.24Å; Y108-W376 HydrophobicContact CD1-CD2 4.49Å; Y108-W376 HydrophobicContact CD1-CH2 4.47Å; Y108-W376 AromaticContact CD1-CZ2 4Å; Y108-W376 HydrophobicContact CD1-CZ2 4Å; Y108-W376 HydrophobicContact CE1-CD2 4.39Å; Y108-W376 AromaticContact CE1-CE2 3.58Å; Y108-W376 AromaticContact CE1-CZ2 3.68Å; Y108-W376 HydrophobicContact CE1-CZ2 3.68Å; Y108-W376 AromaticContact CE1-NE1 3.51Å; Y108-E381 WeakPolarHBondContact CE1-OE2 3.31Å; Y108-E381 PolarHBondContact OH-OE1 3.39Å; Y108-E381 PolarHBondContact OH-OE2 3.37Å
109	Q	98.8	Very high	98.8	Very high	59 Å²	59	37.1 Å²	37.1	28%	0.276	18%	0.181	S	C	.	.	H	α-helix	trans	-62.7	-41.4	179.5	-74	178	-17	0	0	111.5	L105 N106 T112 L113 W384	L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 VanDerWaalsContact O-CG 3.3Å; L105-Q109 WeakPolarHBondContact O-CG 3.22Å; L105-Q109 PolarHBondContact O-N 3.48Å; N106-Q109 PolarHBondContact O-N 3.37Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.2Å; Q109-T112 PolarHBondContact O-OG1 3.31Å; Q109-L113 WeakPolarHBondContact O-CB 3.35Å; Q109-L113 PolarHBondContact O-N 3.49Å; Q109-W384 HydrophobicContact CB-CH2 3.98Å; Q109-W384 HydrophobicContact CB-CZ2 3.55Å; Q109-W384 HydrophobicContact CG-CD2 4.02Å; Q109-W384 HydrophobicContact CG-CE3 4.33Å; Q109-W384 HydrophobicContact CG-CH2 4.18Å; Q109-W384 HydrophobicContact CG-CZ2 3.85Å; Q109-W384 HydrophobicContact CG-CZ3 4.4Å; Q109-W384 WeakPolarHBondContact O-CZ2 3.28Å
110	K	98.9	Very high	98.8	Very high	48 Å²	48	36.8 Å²	36.8	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-41.3	177.5	-62.9	-55.5	-176.1	168.5	0	112.7	N106 F107 Y108 L114 I144 M167 Y168	N106-K110 WeakPolarHBondContact O-CB 3.1Å; N106-K110 VanDerWaalsContact O-CG 3.23Å; N106-K110 WeakPolarHBondContact O-CG 3.42Å; N106-K110 PolarHBondContact O-N 2.81Å; N106-K110 VanDerWaalsContact OD1-CE 3.24Å; N106-K110 WeakPolarHBondContact OD1-CE 3.35Å; F107-K110 PolarHBondContact O-N 3.46Å; Y108-K110 PolarHBondContact O-N 3Å; K110-L114 WeakPolarHBondContact O-CB 3.33Å; K110-L114 PolarHBondContact O-N 3.21Å; K110-I144 HydrophobicContact CB-CD1 3.62Å; K110-I144 HydrophobicContact CB-CG1 4.28Å; K110-M167 HydrophobicContact CB-CG 4.27Å; K110-M167 HydrophobicContact CD-CG 4.1Å; K110-M167 WeakPolarHBondContact CD-O 3.49Å; K110-M167 PolarHBondContact NZ-O 3.01Å; K110-Y168 HydrophobicContact CG-CD2 4.37Å
111	M	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-45.9	174.8	-69.4	-168.2	-74.1	0	0	111.9	F107 Y108 L114 N115 E140 I144 P362 I363 L366	F107-M111 WeakPolarHBondContact O-CG 3.48Å; F107-M111 PolarHBondContact O-N 3.13Å; Y108-M111 PolarHBondContact O-N 3.4Å; M111-L114 PolarHBondContact O-N 3.25Å; M111-N115 WeakPolarHBondContact O-CB 3.24Å; M111-N115 PolarHBondContact O-N 2.86Å; M111-E140 HydrophobicContact CB-CB 3.85Å; M111-E140 HydrophobicContact CG-CB 3.71Å; M111-E140 HydrophobicContact SD-CB 4.02Å; M111-I144 HydrophobicContact CG-CB 3.98Å; M111-I144 HydrophobicContact CG-CG1 3.51Å; M111-I144 HydrophobicContact CG-CG2 4.42Å; M111-P362 HydrophobicContact SD-CB 4.16Å; M111-I363 HydrophobicContact CB-CD1 4.21Å; M111-I363 HydrophobicContact CB-CG1 3.81Å; M111-I363 HydrophobicContact SD-CG1 4.31Å; M111-L366 HydrophobicContact CE-CB 4.01Å; M111-L366 HydrophobicContact CE-CD2 3.31Å; M111-L366 HydrophobicContact CE-CG 4.29Å
112	T	98.9	Very high	98.8	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	15%	0.15	C	C	.	.	H	α-helix	trans	-74.1	-30.5	-178.4	49.4	0	0	0	0	113.2	Y108 Q109 T116 I363 W384	Y108-T112 HydrophobicContact CD1-CG2 4.41Å; Y108-T112 HydrophobicContact CD2-CG2 4.4Å; Y108-T112 HydrophobicContact CE1-CG2 4.02Å; Y108-T112 HydrophobicContact CE2-CG2 4Å; Y108-T112 WeakPolarHBondContact O-CB 3.22Å; Y108-T112 WeakPolarHBondContact O-CG2 3.39Å; Y108-T112 PolarHBondContact O-N 2.88Å; Y108-T112 PolarHBondContact O-OG1 3.24Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.2Å; Q109-T112 PolarHBondContact O-OG1 3.31Å; T112-T116 WeakPolarHBondContact O-CB 3.31Å; T112-T116 PolarHBondContact O-N 3.18Å; T112-T116 PolarHBondContact O-OG1 2.8Å; T112-I363 HydrophobicContact CG2-CD1 4.19Å; T112-I363 HydrophobicContact CG2-CG1 4.46Å; T112-I363 HydrophobicContact CG2-CG2 3.65Å; T112-W384 PolarHBondContact OG1-NE1 3.06Å
113	L	98.9	Very high	98.8	Very high	17 Å²	17	28.7 Å²	28.7	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-43.8	171.1	-174.2	59.9	0	0	0	111.2	Q109 T116 M117 M167 L173 W384 V392	Q109-L113 WeakPolarHBondContact O-CB 3.35Å; Q109-L113 PolarHBondContact O-N 3.49Å; L113-T116 PolarHBondContact O-N 2.72Å; L113-M117 WeakPolarHBondContact O-CB 3.27Å; L113-M117 PolarHBondContact O-N 2.94Å; L113-M167 HydrophobicContact CB-SD 4.35Å; L113-M167 HydrophobicContact CD2-SD 3.57Å; L113-M167 VanDerWaalsContact CD2-SD 3.57Å; L113-M167 HydrophobicContact CG-CE 4.23Å; L113-M167 HydrophobicContact CG-SD 3.86Å; L113-L173 HydrophobicContact CD1-CD1 4.25Å; L113-L173 HydrophobicContact CD2-CD1 4.49Å; L113-W384 HydrophobicContact CB-CZ2 4.2Å; L113-V392 HydrophobicContact CD1-CG2 3.68Å
114	L	98.9	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-49.2	172.7	178.8	63.8	0	0	0	111.5	K110 M111 T116 M117 D118 N136 E140 A163 M167	K110-L114 WeakPolarHBondContact O-CB 3.33Å; K110-L114 PolarHBondContact O-N 3.21Å; M111-L114 PolarHBondContact O-N 3.25Å; L114-T116 VanDerWaalsContact C-N 3.26Å; L114-T116 PolarHBondContact O-N 3.15Å; L114-M117 HydrophobicContact CD1-CE 3.83Å; L114-M117 WeakPolarHBondContact O-CB 3.42Å; L114-M117 PolarHBondContact O-N 3.17Å; L114-D118 PolarHBondContact O-N 3.26Å; L114-N136 HydrophobicContact CD2-CB 3.72Å; L114-N136 HydrophobicContact CG-CB 4.12Å; L114-E140 HydrophobicContact CD2-CB 4.5Å; L114-E140 HydrophobicContact CD2-CG 4.01Å; L114-A163 HydrophobicContact CD1-CB 3.86Å; L114-M167 HydrophobicContact CB-CE 4.31Å; L114-M167 HydrophobicContact CD1-CE 4.3Å
115	N	98.8	Very high	98.8	Very high	16 Å²	16	27.6 Å²	27.6	9%	0.086	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-38.7	178	-166.7	-84.1	0	0	0	112	M111 D118 R119 Y137 E140 I363	M111-N115 WeakPolarHBondContact O-CB 3.24Å; M111-N115 PolarHBondContact O-N 2.86Å; N115-D118 PolarHBondContact O-N 3.27Å; N115-R119 WeakPolarHBondContact O-CG 3.47Å; N115-R119 PolarHBondContact O-N 3.24Å; N115-R119 VanDerWaalsContact O-N 3.11Å; N115-R119 PolarHBondContact OD1-NE 2.93Å; N115-Y137 VanDerWaalsContact ND2-CD1 3.34Å; N115-Y137 WeakPolarHBondContact ND2-CD1 3.43Å; N115-E140 PolarHBondContact ND2-OE1 3.05Å; N115-I363 HydrophobicContact CB-CD1 3.95Å
116	T	98.9	Very high	98.8	Very high	21 Å²	21	32.1 Å²	32.1	13%	0.129	14%	0.141	C	C	.	.	H	α-helix	trans	-66.7	-44.5	176	-61	0	0	0	0	112	T112 L113 L114 D118 R119 I120 R389 V392	T112-T116 WeakPolarHBondContact O-CB 3.31Å; T112-T116 PolarHBondContact O-N 3.18Å; T112-T116 PolarHBondContact O-OG1 2.8Å; L113-T116 PolarHBondContact O-N 2.72Å; L114-T116 VanDerWaalsContact C-N 3.26Å; L114-T116 PolarHBondContact O-N 3.15Å; T116-D118 VanDerWaalsContact C-N 3.33Å; T116-R119 PolarHBondContact O-N 3.4Å; T116-I120 HydrophobicContact CG2-CD1 4.19Å; T116-I120 PolarHBondContact O-N 3.31Å; T116-R389 HydrophobicContact CG2-CB 4.3Å; T116-V392 HydrophobicContact CG2-CB 4.47Å; T116-V392 HydrophobicContact CG2-CG2 4.13Å
117	M	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-45.9	174.6	-176.1	175.6	76.8	0	0	111.3	L113 L114 R119 I120 L121 M167 L173 F176 M177 V392	L113-M117 WeakPolarHBondContact O-CB 3.27Å; L113-M117 PolarHBondContact O-N 2.94Å; L114-M117 HydrophobicContact CD1-CE 3.83Å; L114-M117 WeakPolarHBondContact O-CB 3.42Å; L114-M117 PolarHBondContact O-N 3.17Å; M117-R119 PolarHBondContact O-N 3.39Å; M117-I120 PolarHBondContact O-N 2.79Å; M117-L121 HydrophobicContact CG-CD1 3.77Å; M117-L121 PolarHBondContact O-N 2.86Å; M117-L121 HydrophobicContact SD-CD1 4.39Å; M117-M167 HydrophobicContact CE-CE 3.83Å; M117-M167 HydrophobicContact SD-CE 3.97Å; M117-L173 HydrophobicContact SD-CD2 3.68Å; M117-F176 HydrophobicContact CE-CB 4.32Å; M117-F176 HydrophobicContact CE-CD1 3.94Å; M117-F176 HydrophobicContact CE-CD2 4.12Å; M117-F176 HydrophobicContact CE-CE1 4.2Å; M117-F176 HydrophobicContact CE-CE2 4.36Å; M117-F176 HydrophobicContact CE-CG 3.9Å; M117-F176 HydrophobicContact CE-CZ 4.38Å; M117-F176 HydrophobicContact SD-CB 3.75Å; M117-F176 HydrophobicContact SD-CD1 4.43Å; M117-F176 HydrophobicContact SD-CD2 3.87Å; M117-F176 HydrophobicContact SD-CG 3.8Å; M117-M177 HydrophobicContact CG-CE 4.07Å; M117-V392 HydrophobicContact CB-CG1 4.33Å; M117-V392 HydrophobicContact CB-CG2 4.37Å; M117-V392 HydrophobicContact CG-CG1 4.48Å
118	D	98.9	Very high	98.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-44	178.8	-79.6	-18.8	0	0	0	112.6	L114 N115 T116 I120 Y122 Y133 T135 N136 Y137	L114-D118 PolarHBondContact O-N 3.26Å; N115-D118 PolarHBondContact O-N 3.27Å; T116-D118 VanDerWaalsContact C-N 3.33Å; D118-I120 VanDerWaalsContact C-N 3.29Å; D118-I120 PolarHBondContact O-N 2.89Å; D118-Y122 WeakPolarHBondContact O-CB 3.33Å; D118-Y122 PolarHBondContact O-N 2.85Å; D118-Y133 HydrophobicContact CB-CE1 4.28Å; D118-Y133 WeakPolarHBondContact OD1-CE1 3.42Å; D118-Y133 PolarHBondContact OD1-OH 3.17Å; D118-T135 HydrophobicContact CB-CG2 4.08Å; D118-N136 PolarHBondContact OD1-ND2 2.89Å; D118-N136 VanDerWaalsContact OD2-CB 3.31Å; D118-N136 WeakPolarHBondContact OD2-CB 3.41Å; D118-N136 PolarHBondContact OD2-N 3.39Å; D118-N136 PolarHBondContact OD2-ND2 3.42Å; D118-Y137 HydrophobicContact CB-CD1 4.39Å; D118-Y137 HydrophobicContact CB-CE1 3.51Å
119	R	98.8	Very high	98.7	Very high	139 Å²	139	43.1 Å²	43.1	53%	0.525	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-40.3	177.7	-72.2	173.6	-177.4	-156	-4.4	112.1	N115 T116 M117 E123 Y137	N115-R119 WeakPolarHBondContact O-CG 3.47Å; N115-R119 PolarHBondContact O-N 3.24Å; N115-R119 VanDerWaalsContact O-N 3.11Å; N115-R119 PolarHBondContact OD1-NE 2.93Å; T116-R119 PolarHBondContact O-N 3.4Å; M117-R119 PolarHBondContact O-N 3.39Å; R119-E123 PolarHBondContact O-N 2.86Å; R119-Y137 WeakPolarHBondContact CA-OH 3.44Å; R119-Y137 HydrophobicContact CG-CE1 4.44Å; R119-Y137 WeakPolarHBondContact CG-OH 3.4Å; R119-Y137 PolarHBondContact N-OH 3.08Å
120	I	98.8	Very high	98.7	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.077	19%	0.192	C	C	.	.	H	α-helix	trans	-72.8	-46.7	-178.5	-72.2	164.8	0	0	0	110.9	T116 M117 D118 E123 S124 V392 M393 F396	T116-I120 HydrophobicContact CG2-CD1 4.19Å; T116-I120 PolarHBondContact O-N 3.31Å; M117-I120 PolarHBondContact O-N 2.79Å; D118-I120 VanDerWaalsContact C-N 3.29Å; D118-I120 PolarHBondContact O-N 2.89Å; I120-E123 PolarHBondContact O-N 2.95Å; I120-S124 WeakPolarHBondContact O-CB 3.23Å; I120-S124 PolarHBondContact O-N 3.28Å; I120-V392 HydrophobicContact CB-CG1 4.19Å; I120-V392 HydrophobicContact CD1-CB 3.83Å; I120-V392 HydrophobicContact CD1-CG1 3.41Å; I120-V392 VanDerWaalsContact CD1-CG1 3.41Å; I120-V392 HydrophobicContact CG1-CG1 4.36Å; I120-V392 HydrophobicContact CG2-CG1 4.3Å; I120-M393 HydrophobicContact CD1-CG 4.05Å; I120-M393 HydrophobicContact CD1-SD 3.7Å; I120-M393 HydrophobicContact CG1-SD 4.08Å; I120-M393 HydrophobicContact CG2-SD 4.06Å; I120-F396 HydrophobicContact CG2-CD2 3.8Å; I120-F396 HydrophobicContact CG2-CE2 4.25Å; I120-F396 HydrophobicContact CG2-CG 4.21Å
121	L	98.8	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-74.5	-32.3	-178.2	-76.2	172	0	0	0	113.3	M117 E123 S124 Q125 I130 Y133 M177 Y181 F396	M117-L121 HydrophobicContact CG-CD1 3.77Å; M117-L121 PolarHBondContact O-N 2.86Å; M117-L121 HydrophobicContact SD-CD1 4.39Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 2.93Å; L121-Q125 PolarHBondContact O-N 3.04Å; L121-I130 HydrophobicContact CB-CD1 4.34Å; L121-I130 HydrophobicContact CD2-CD1 3.96Å; L121-Y133 HydrophobicContact CB-CD1 4.09Å; L121-Y133 HydrophobicContact CB-CD2 3.76Å; L121-Y133 HydrophobicContact CB-CE1 3.81Å; L121-Y133 HydrophobicContact CB-CE2 3.44Å; L121-Y133 VanDerWaalsContact CB-CE2 3.44Å; L121-Y133 HydrophobicContact CB-CG 4.09Å; L121-Y133 VanDerWaalsContact CB-CZ 3.47Å; L121-Y133 HydrophobicContact CD1-CD2 4.38Å; L121-Y133 HydrophobicContact CD1-CE2 3.47Å; L121-Y133 VanDerWaalsContact CD1-CE2 3.47Å; L121-Y133 HydrophobicContact CG-CE2 4.05Å; L121-M177 HydrophobicContact CD1-CE 4.08Å; L121-M177 HydrophobicContact CD1-SD 3.87Å; L121-M177 HydrophobicContact CD2-CE 4.43Å; L121-M177 HydrophobicContact CD2-SD 3.59Å; L121-M177 VanDerWaalsContact CD2-SD 3.59Å; L121-M177 HydrophobicContact CG-CE 4.15Å; L121-M177 HydrophobicContact CG-SD 3.91Å; L121-Y181 HydrophobicContact CD2-CE2 4.29Å; L121-F396 HydrophobicContact CD2-CD2 4.5Å
122	Y	98.8	Very high	98.6	Very high	56 Å²	56	44.1 Å²	44.1	22%	0.22	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-47.5	170.8	-176.2	-94.6	0	0	0	111.2	D118 Q125 R126 T135 H337 T340	D118-Y122 WeakPolarHBondContact O-CB 3.33Å; D118-Y122 PolarHBondContact O-N 2.85Å; Y122-Q125 WeakPolarHBondContact O-CB 3.26Å; Y122-Q125 PolarHBondContact O-N 3.37Å; Y122-R126 HydrophobicContact CD1-CG 4.31Å; Y122-R126 HydrophobicContact CE1-CG 4.05Å; Y122-R126 WeakPolarHBondContact O-CG 3.39Å; Y122-R126 PolarHBondContact O-N 3.25Å; Y122-R126 VanDerWaalsContact O-N 3.07Å; Y122-T135 HydrophobicContact CD2-CG2 3.8Å; Y122-T135 HydrophobicContact CG-CG2 4.2Å; Y122-H337 PolarHBondContact OH-CD2 3.45Å; Y122-T340 HydrophobicContact CD2-CG2 3.58Å; Y122-T340 HydrophobicContact CE2-CG2 3.63Å
123	E	98.4	Very high	98.6	Very high	93 Å²	93	43.6 Å²	43.6	44%	0.435	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-39	177	-178.9	54	-146.5	0	0	112.2	R119 I120 L121 Q125 R126 Q127	R119-E123 PolarHBondContact O-N 2.86Å; I120-E123 PolarHBondContact O-N 2.95Å; L121-E123 VanDerWaalsContact C-N 3.35Å; E123-Q125 PolarHBondContact O-N 3.17Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 2.95Å; E123-Q127 WeakPolarHBondContact O-CG 3.43Å; E123-Q127 PolarHBondContact O-N 3.2Å; E123-Q127 PolarHBondContact OE1-NE2 3.1Å
124	S	98.4	Very high	98.6	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-53.8	-43.2	172	-176	0	0	0	0	112	I120 L121 Q127 G128 R129 Y181 F396	I120-S124 WeakPolarHBondContact O-CB 3.23Å; I120-S124 PolarHBondContact O-N 3.28Å; L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 2.93Å; S124-Q127 PolarHBondContact O-N 3.5Å; S124-G128 PolarHBondContact O-N 3.45Å; S124-R129 WeakPolarHBondContact O-CB 3.43Å; S124-R129 PolarHBondContact O-N 2.92Å; S124-R129 WeakPolarHBondContact OG-CB 3.48Å; S124-Y181 PolarHBondContact OG-OH 2.84Å; S124-Y181 VanDerWaalsContact OG-OH 3.05Å; S124-F396 WeakPolarHBondContact OG-CE2 3.27Å
125	Q	98.7	Very high	98.6	Very high	20 Å²	20	43.3 Å²	43.3	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-40.3	176.5	-165.3	-72.6	-28.1	0	0	111.5	L121 Y122 E123 Q127 G128 I130 S131 T340	L121-Q125 PolarHBondContact O-N 3.04Å; Y122-Q125 WeakPolarHBondContact O-CB 3.26Å; Y122-Q125 PolarHBondContact O-N 3.37Å; E123-Q125 PolarHBondContact O-N 3.17Å; Q125-Q127 PolarHBondContact O-N 3.48Å; Q125-G128 PolarHBondContact O-N 2.89Å; Q125-I130 HydrophobicContact CB-CD1 4.02Å; Q125-I130 HydrophobicContact CB-CG1 3.6Å; Q125-I130 HydrophobicContact CG-CG1 4.03Å; Q125-S131 PolarHBondContact NE2-O 2.99Å; Q125-T340 HydrophobicContact CB-CG2 3.93Å; Q125-T340 VanDerWaalsContact CD-OG1 3.32Å; Q125-T340 HydrophobicContact CG-CG2 3.73Å
126	R	98	Very high	98.6	Very high	128 Å²	128	42.7 Å²	42.7	48%	0.483	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-27.9	175.6	-65.9	-64.9	78.7	-162.6	5.9	113.2	Y122 E123 G128 T340	Y122-R126 HydrophobicContact CD1-CG 4.31Å; Y122-R126 HydrophobicContact CE1-CG 4.05Å; Y122-R126 WeakPolarHBondContact O-CG 3.39Å; Y122-R126 PolarHBondContact O-N 3.25Å; Y122-R126 VanDerWaalsContact O-N 3.07Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 2.95Å; R126-G128 VanDerWaalsContact C-N 3.31Å; R126-T340 PolarHBondContact NH2-O 3.1Å
127	Q	98.1	Very high	98.6	Very high	104 Å²	104	43.6 Å²	43.6	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.4	173.8	-64	176.5	26.9	0	0	113.6	E123 S124 Q125 R129	E123-Q127 WeakPolarHBondContact O-CG 3.43Å; E123-Q127 PolarHBondContact O-N 3.2Å; E123-Q127 PolarHBondContact OE1-NE2 3.1Å; S124-Q127 PolarHBondContact O-N 3.5Å; Q125-Q127 PolarHBondContact O-N 3.48Å; Q127-R129 VanDerWaalsContact C-N 3.27Å; Q127-R129 HydrophobicContact CB-CG 4.14Å; Q127-R129 PolarHBondContact O-N 2.75Å
128	G	98.1	Very high	98.6	Very high	62 Å²	62	43.7 Å²	43.7	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	14.2	-178.7	0	0	0	0	0	114.6	S124 Q125 R126	S124-G128 PolarHBondContact O-N 3.45Å; Q125-G128 PolarHBondContact O-N 2.89Å; R126-G128 VanDerWaalsContact C-N 3.31Å
129	R	98.3	Very high	98.6	Very high	112 Å²	112	43.7 Å²	43.7	42%	0.423	21%	0.212	S	C	.	.	S	Bend	trans	-74.5	-32.5	179.3	-63.9	173.8	-176.8	-96.3	-0.1	112.3	S124 Q127 Y181 E400	S124-R129 WeakPolarHBondContact O-CB 3.43Å; S124-R129 PolarHBondContact O-N 2.92Å; S124-R129 WeakPolarHBondContact OG-CB 3.48Å; Q127-R129 VanDerWaalsContact C-N 3.27Å; Q127-R129 HydrophobicContact CB-CG 4.14Å; Q127-R129 PolarHBondContact O-N 2.75Å; R129-Y181 HydrophobicContact CB-CE1 4.48Å; R129-E400 WeakPolarHBondContact CD-OE1 3.42Å; R129-E400 IonicContact CZ-OE1 3.96Å; R129-E400 IonicContact NE-OE1 3.44Å; R129-E400 IonicContact NH1-OE1 3.86Å; R129-E400 PolarHBondContact NH1-OE1 3Å; R129-E400 IonicContact NH1-OE2 3.23Å; R129-E400 PolarHBondContact NH1-OE2 3.44Å
130	I	98.7	Very high	98.6	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	19%	0.187	C	C	.	.	S	Bend	trans	-123	155.6	168.1	64.1	175.1	0	0	0	109.4	L121 Q125 Y133 C180 Y181	L121-I130 HydrophobicContact CB-CD1 4.34Å; L121-I130 HydrophobicContact CD2-CD1 3.96Å; Q125-I130 HydrophobicContact CB-CD1 4.02Å; Q125-I130 HydrophobicContact CB-CG1 3.6Å; Q125-I130 HydrophobicContact CG-CG1 4.03Å; I130-Y133 HydrophobicContact CD1-CD2 4Å; I130-Y133 HydrophobicContact CD1-CG 4.38Å; I130-C180 HydrophobicContact CD1-CB 4.33Å; I130-C180 HydrophobicContact CG2-CB 4.43Å; I130-Y181 HydrophobicContact CG2-CD1 4.06Å; I130-Y181 HydrophobicContact CG2-CD2 3.67Å; I130-Y181 HydrophobicContact CG2-CE1 3.96Å; I130-Y181 HydrophobicContact CG2-CE2 3.55Å; I130-Y181 HydrophobicContact CG2-CG 3.92Å
131	S	98.5	Very high	98.6	Very high	90 Å²	90	36.4 Å²	36.4	63%	0.629	18%	0.184	S	C	*	.	S	Bend	trans	-79.1	-32.6	-171.2	55.5	0	0	0	0	113.9	Q125 P194	Q125-S131 PolarHBondContact NE2-O 2.99Å; S131-P194 WeakPolarHBondContact OG-CD 3.48Å; S131-P194 WeakPolarHBondContact OG-CG 3.17Å
132	F	98.8	Very high	98.6	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.132	18%	0.184	C	C	.	.			trans	-152.1	153.6	-172.4	-179.8	-104	0	0	0	110.9	M134 M193 P194 S339	F132-M134 HydrophobicContact CD1-CG 4.46Å; F132-M134 HydrophobicContact CE1-CG 3.41Å; F132-M134 VanDerWaalsContact CE1-CG 3.41Å; F132-M134 HydrophobicContact CE1-SD 3.72Å; F132-M134 HydrophobicContact CZ-CG 3.45Å; F132-M134 VanDerWaalsContact CZ-CG 3.45Å; F132-M134 HydrophobicContact CZ-SD 3.72Å; F132-M193 HydrophobicContact CB-CG 4.02Å; F132-M193 HydrophobicContact CB-SD 4.26Å; F132-M193 HydrophobicContact CD1-CG 3.87Å; F132-M193 HydrophobicContact CD1-SD 3.73Å; F132-M193 HydrophobicContact CD2-SD 4.31Å; F132-M193 HydrophobicContact CE1-SD 4.06Å; F132-M193 HydrophobicContact CG-CG 4.11Å; F132-M193 HydrophobicContact CG-SD 3.85Å; F132-M193 HydrophobicContact CZ-SD 4.5Å; F132-P194 HydrophobicContact CB-CB 4.35Å; F132-P194 HydrophobicContact CB-CG 4.26Å; F132-P194 WeakPolarHBondContact O-CB 3.44Å; F132-S339 VanDerWaalsContact CE2-CB 3.46Å
133	Y	98.8	Very high	98.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.173	C	C	.	.			trans	-156.2	154.8	169.5	-158.3	-107.6	0	0	0	112.1	D118 L121 I130 T135 V195 T340	D118-Y133 HydrophobicContact CB-CE1 4.28Å; D118-Y133 WeakPolarHBondContact OD1-CE1 3.42Å; D118-Y133 PolarHBondContact OD1-OH 3.17Å; L121-Y133 HydrophobicContact CB-CD1 4.09Å; L121-Y133 HydrophobicContact CB-CD2 3.76Å; L121-Y133 HydrophobicContact CB-CE1 3.81Å; L121-Y133 HydrophobicContact CB-CE2 3.44Å; L121-Y133 VanDerWaalsContact CB-CE2 3.44Å; L121-Y133 HydrophobicContact CB-CG 4.09Å; L121-Y133 VanDerWaalsContact CB-CZ 3.47Å; L121-Y133 HydrophobicContact CD1-CD2 4.38Å; L121-Y133 HydrophobicContact CD1-CE2 3.47Å; L121-Y133 VanDerWaalsContact CD1-CE2 3.47Å; L121-Y133 HydrophobicContact CG-CE2 4.05Å; I130-Y133 HydrophobicContact CD1-CD2 4Å; I130-Y133 HydrophobicContact CD1-CG 4.38Å; Y133-T135 HydrophobicContact CD1-CG2 4.19Å; Y133-T135 HydrophobicContact CE1-CG2 4.19Å; Y133-V195 HydrophobicContact CD2-CG2 3.55Å; Y133-V195 HydrophobicContact CE2-CG2 3.77Å; Y133-V195 HydrophobicContact CG-CG2 4.27Å; Y133-T340 PolarHBondContact N-OG1 3.2Å; Y133-T340 VanDerWaalsContact N-OG1 3.11Å; Y133-T340 WeakPolarHBondContact O-CG2 3.32Å; Y133-T340 PolarHBondContact O-N 3.18Å; Y133-T340 PolarHBondContact O-OG1 3.39Å
134	M	98.7	Very high	98.6	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.039	15%	0.152	C	C	.	.			trans	-134.3	128.7	172.7	-58.1	-178.6	81.7	0	0	108.6	F132 Y160 V195 H338	F132-M134 HydrophobicContact CD1-CG 4.46Å; F132-M134 HydrophobicContact CE1-CG 3.41Å; F132-M134 VanDerWaalsContact CE1-CG 3.41Å; F132-M134 HydrophobicContact CE1-SD 3.72Å; F132-M134 HydrophobicContact CZ-CG 3.45Å; F132-M134 VanDerWaalsContact CZ-CG 3.45Å; F132-M134 HydrophobicContact CZ-SD 3.72Å; M134-Y160 HydrophobicContact CE-CD2 3.36Å; M134-Y160 HydrophobicContact CE-CE2 3.36Å; M134-Y160 HydrophobicContact CE-CG 4.08Å; M134-Y160 HydrophobicContact SD-CD2 3.6Å; M134-Y160 HydrophobicContact SD-CE2 4.22Å; M134-Y160 HydrophobicContact SD-CG 3.83Å; M134-V195 HydrophobicContact CB-CG1 4.43Å; M134-H338 WeakPolarHBondContact CE-O 3.49Å
135	T	98.8	Very high	98.6	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	15%	0.151	C	C	.	.			trans	-88.6	167.5	179.2	63.3	0	0	0	0	111.5	D118 Y122 Y133 Y137 R161	D118-T135 HydrophobicContact CB-CG2 4.08Å; Y122-T135 HydrophobicContact CD2-CG2 3.8Å; Y122-T135 HydrophobicContact CG-CG2 4.2Å; Y133-T135 HydrophobicContact CD1-CG2 4.19Å; Y133-T135 HydrophobicContact CE1-CG2 4.19Å; T135-Y137 HydrophobicContact CG2-CD2 4.31Å; T135-Y137 HydrophobicContact CG2-CE1 4.43Å; T135-Y137 HydrophobicContact CG2-CE2 3.74Å; T135-Y137 WeakPolarHBondContact OG1-CD2 3.26Å; T135-R161 PolarHBondContact O-NH1 3.08Å
136	N	98.8	Very high	98.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	15%	0.147	C	C	.	.			trans	-114.4	16.6	-176.6	-55.5	-85	0	0	0	112.2	L114 D118 G138 E139 R161	L114-N136 HydrophobicContact CD2-CB 3.72Å; L114-N136 HydrophobicContact CG-CB 4.12Å; D118-N136 PolarHBondContact OD1-ND2 2.89Å; D118-N136 VanDerWaalsContact OD2-CB 3.31Å; D118-N136 WeakPolarHBondContact OD2-CB 3.41Å; D118-N136 PolarHBondContact OD2-N 3.39Å; D118-N136 PolarHBondContact OD2-ND2 3.42Å; N136-G138 PolarHBondContact O-N 3.34Å; N136-E139 PolarHBondContact O-N 2.78Å; N136-R161 PolarHBondContact OD1-O 3.15Å
137	Y	98.6	Very high	98.7	Very high	41 Å²	41	22.2 Å²	22.2	16%	0.161	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	122.9	-172.7	-55.9	-29.3	0	0	0	112.5	N115 D118 R119 T135 E139 I335	N115-Y137 VanDerWaalsContact ND2-CD1 3.34Å; N115-Y137 WeakPolarHBondContact ND2-CD1 3.43Å; D118-Y137 HydrophobicContact CB-CD1 4.39Å; D118-Y137 HydrophobicContact CB-CE1 3.51Å; R119-Y137 WeakPolarHBondContact CA-OH 3.44Å; R119-Y137 HydrophobicContact CG-CE1 4.44Å; R119-Y137 WeakPolarHBondContact CG-OH 3.4Å; R119-Y137 PolarHBondContact N-OH 3.08Å; T135-Y137 HydrophobicContact CG2-CD2 4.31Å; T135-Y137 HydrophobicContact CG2-CE1 4.43Å; T135-Y137 HydrophobicContact CG2-CE2 3.74Å; T135-Y137 WeakPolarHBondContact OG1-CD2 3.26Å; Y137-E139 VanDerWaalsContact C-N 3.31Å; Y137-I335 PolarHBondContact O-N 3.27Å
138	G	98.3	Very high	98.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.01	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-21.1	-178.5	0	0	0	0	0	113.2	N136 E140 N303 T332	N136-G138 PolarHBondContact O-N 3.34Å; G138-E140 WeakPolarHBondContact CA-OE2 3.44Å; G138-E140 PolarHBondContact N-OE2 2.94Å; G138-N303 PolarHBondContact O-OD1 3.04Å; G138-T332 PolarHBondContact O-OG1 3.2Å
139	E	98.8	Very high	98.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-0.1	-173.4	-54	-156	-133	0	0	112.5	N136 Y137 G141 T142 H143 R161 R267 N269 T332	N136-E139 PolarHBondContact O-N 2.78Å; Y137-E139 VanDerWaalsContact C-N 3.31Å; E139-G141 PolarHBondContact O-N 2.9Å; E139-T142 PolarHBondContact O-N 3.09Å; E139-T142 PolarHBondContact O-OG1 2.75Å; E139-H143 PolarHBondContact O-CE1 3.07Å; E139-H143 PolarHBondContact O-N 2.8Å; E139-H143 PolarHBondContact O-ND1 3.48Å; E139-H143 VanDerWaalsContact O-ND1 3.16Å; E139-R161 WeakPolarHBondContact OE1-CD 3.48Å; E139-R161 IonicContact OE1-NE 3.93Å; E139-R267 IonicContact OE1-NH1 3.72Å; E139-R267 PolarHBondContact OE1-NH1 3.37Å; E139-R267 WeakPolarHBondContact OE2-CB 3.28Å; E139-R267 WeakPolarHBondContact OE2-CD 3.47Å; E139-R267 IonicContact OE2-CZ 3.6Å; E139-R267 IonicContact OE2-NE 3.84Å; E139-R267 IonicContact OE2-NH1 3.45Å; E139-R267 PolarHBondContact OE2-NH1 2.76Å; E139-N269 PolarHBondContact OE1-ND2 3.38Å; E139-T332 HydrophobicContact CG-CG2 3.94Å
140	E	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.4	-35.7	-175.5	-54	97	145.5	0	0	112.6	M111 L114 N115 G138 H143 I144 H361	M111-E140 HydrophobicContact CB-CB 3.85Å; M111-E140 HydrophobicContact CG-CB 3.71Å; M111-E140 HydrophobicContact SD-CB 4.02Å; L114-E140 HydrophobicContact CD2-CB 4.5Å; L114-E140 HydrophobicContact CD2-CG 4.01Å; N115-E140 PolarHBondContact ND2-OE1 3.05Å; G138-E140 WeakPolarHBondContact CA-OE2 3.44Å; G138-E140 PolarHBondContact N-OE2 2.94Å; E140-H143 PolarHBondContact O-N 2.81Å; E140-I144 WeakPolarHBondContact O-CB 3.34Å; E140-I144 WeakPolarHBondContact O-CG1 3.44Å; E140-I144 PolarHBondContact O-N 2.91Å; E140-H361 IonicContact OE1-CE1 2.75Å; E140-H361 IonicContact OE1-NE2 2.83Å; E140-H361 IonicContact OE2-CE1 3.11Å; E140-H361 PolarHBondContact OE2-CE1 3.03Å
141	G	98.8	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-41.7	176.7	0	0	0	0	0	112.5	E139 H143 G145	E139-G141 PolarHBondContact O-N 2.9Å; G141-H143 PolarHBondContact O-N 2.94Å; G141-G145 PolarHBondContact O-N 3.42Å
142	T	98.9	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-43.5	177.7	67.5	0	0	0	0	111.6	E139 S146 F265 G302 A330	E139-T142 PolarHBondContact O-N 3.09Å; E139-T142 PolarHBondContact O-OG1 2.75Å; T142-S146 VanDerWaalsContact O-CB 3.29Å; T142-S146 WeakPolarHBondContact O-CB 3.35Å; T142-S146 PolarHBondContact O-N 2.83Å; T142-S146 PolarHBondContact O-OG 3.24Å; T142-F265 HydrophobicContact CG2-CE1 4.45Å; T142-G302 WeakPolarHBondContact CG2-O 3.48Å; T142-G302 PolarHBondContact N-O 3.47Å; T142-A330 HydrophobicContact CG2-CB 3.79Å
143	H	98.9	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.2	-47.6	-179	-55.9	134.1	0	0	0	112.7	E139 E140 G141 S146 A147 R161 V165	E139-H143 PolarHBondContact O-CE1 3.07Å; E139-H143 PolarHBondContact O-N 2.8Å; E139-H143 PolarHBondContact O-ND1 3.48Å; E139-H143 VanDerWaalsContact O-ND1 3.16Å; E140-H143 PolarHBondContact O-N 2.81Å; G141-H143 PolarHBondContact O-N 2.94Å; H143-S146 PolarHBondContact O-OG 3.13Å; H143-A147 WeakPolarHBondContact O-CB 3.32Å; H143-A147 PolarHBondContact O-N 2.69Å; H143-R161 PolarHBondContact CE1-O 3.46Å; H143-R161 PolarHBondContact ND1-O 3.02Å; H143-R161 PolarHBondContact NE2-O 2.98Å; H143-V165 HydrophobicContact CB-CG2 4.25Å
144	I	98.9	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-74.8	-43.5	-174	-63.1	-55	0	0	0	111.3	F107 K110 M111 E140 S146 A148 G164 Y168	F107-I144 HydrophobicContact CB-CG2 3.77Å; F107-I144 HydrophobicContact CD1-CG2 3.88Å; F107-I144 HydrophobicContact CG-CG2 3.87Å; K110-I144 HydrophobicContact CB-CD1 3.62Å; K110-I144 HydrophobicContact CB-CG1 4.28Å; M111-I144 HydrophobicContact CG-CB 3.98Å; M111-I144 HydrophobicContact CG-CG1 3.51Å; M111-I144 HydrophobicContact CG-CG2 4.42Å; E140-I144 WeakPolarHBondContact O-CB 3.34Å; E140-I144 WeakPolarHBondContact O-CG1 3.44Å; E140-I144 PolarHBondContact O-N 2.91Å; I144-S146 PolarHBondContact O-N 3.32Å; I144-A148 VanDerWaalsContact O-CB 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.21Å; I144-A148 PolarHBondContact O-N 3.06Å; I144-G164 WeakPolarHBondContact CD1-O 3.5Å; I144-Y168 HydrophobicContact CD1-CD2 4.37Å; I144-Y168 HydrophobicContact CG2-CD2 4.01Å; I144-Y168 HydrophobicContact CG2-CE2 4.47Å
145	G	98.9	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-42.7	179.9	0	0	0	0	0	112.2	G141 A149 Y309	G141-G145 PolarHBondContact O-N 3.42Å; G145-A149 PolarHBondContact O-N 3.16Å; G145-Y309 WeakPolarHBondContact O-CA 3.16Å
146	S	98.9	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-71.9	-46.5	179.2	57.5	0	0	0	0	111.7	T142 H143 I144 A148 A149 L150 Y237	T142-S146 VanDerWaalsContact O-CB 3.29Å; T142-S146 WeakPolarHBondContact O-CB 3.35Å; T142-S146 PolarHBondContact O-N 2.83Å; T142-S146 PolarHBondContact O-OG 3.24Å; H143-S146 PolarHBondContact O-OG 3.13Å; I144-S146 PolarHBondContact O-N 3.32Å; S146-A148 PolarHBondContact O-N 2.92Å; S146-A149 WeakPolarHBondContact O-CB 3.49Å; S146-A149 PolarHBondContact O-N 3.47Å; S146-L150 WeakPolarHBondContact O-CG 3.43Å; S146-L150 PolarHBondContact O-N 3.02Å; S146-Y237 WeakPolarHBondContact CB-OH 3.35Å; S146-Y237 PolarHBondContact OG-OH 3.25Å
147	A	98.9	Very high	98.7	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-35.9	177.6	0	0	0	0	0	112.9	H143 A149 L150 V165 Y168	H143-A147 WeakPolarHBondContact O-CB 3.32Å; H143-A147 PolarHBondContact O-N 2.69Å; A147-A149 VanDerWaalsContact C-N 3.3Å; A147-A149 PolarHBondContact O-N 3.46Å; A147-L150 PolarHBondContact O-N 3.03Å; A147-V165 HydrophobicContact CB-CB 4.29Å; A147-V165 HydrophobicContact CB-CG1 3.94Å; A147-V165 HydrophobicContact CB-CG2 4.3Å; A147-Y168 HydrophobicContact CB-CD1 3.73Å; A147-Y168 HydrophobicContact CB-CG 3.95Å
148	A	98.8	Very high	98.7	Very high	13 Å²	13	15.6 Å²	15.6	11%	0.107	9%	0.091	C	C	.	.	H	α-helix	trans	-69.6	-23.9	177.5	0	0	0	0	0	114.9	F107 I144 S146 Y168 Y309	F107-A148 HydrophobicContact CD1-CB 4.23Å; F107-A148 HydrophobicContact CE1-CB 3.2Å; F107-A148 HydrophobicContact CE2-CB 4.41Å; F107-A148 HydrophobicContact CZ-CB 3.31Å; I144-A148 VanDerWaalsContact O-CB 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.21Å; I144-A148 PolarHBondContact O-N 3.06Å; S146-A148 PolarHBondContact O-N 2.92Å; A148-Y168 VanDerWaalsContact CA-CZ 3.43Å; A148-Y168 WeakPolarHBondContact CA-OH 3.47Å; A148-Y168 HydrophobicContact CB-CE1 3.91Å; A148-Y168 HydrophobicContact CB-CE2 3.78Å; A148-Y168 VanDerWaalsContact CB-OH 3.28Å; A148-Y168 WeakPolarHBondContact CB-OH 3.37Å; A148-Y309 HydrophobicContact CB-CD2 3.96Å; A148-Y309 HydrophobicContact CB-CE2 4.13Å
149	A	98.8	Very high	98.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-84.8	-16.5	179.8	0	0	0	0	0	113.4	G145 S146 A147 Y309 T312 K313	G145-A149 PolarHBondContact O-N 3.16Å; S146-A149 WeakPolarHBondContact O-CB 3.49Å; S146-A149 PolarHBondContact O-N 3.47Å; A147-A149 VanDerWaalsContact C-N 3.3Å; A147-A149 PolarHBondContact O-N 3.46Å; A149-Y309 HydrophobicContact CB-CD2 3.87Å; A149-Y309 HydrophobicContact CB-CE2 4.04Å; A149-Y309 HydrophobicContact CB-CG 4.48Å; A149-T312 HydrophobicContact CB-CG2 3.79Å; A149-K313 HydrophobicContact CB-CB 3.88Å; A149-K313 HydrophobicContact CB-CD 4.25Å; A149-K313 VanDerWaalsContact O-CD 3.24Å; A149-K313 WeakPolarHBondContact O-CD 3.44Å
150	L	98.8	Very high	98.7	Very high	14 Å²	14	17.7 Å²	17.7	7%	0.073	10%	0.099	C	C	.	.	S	Bend	trans	-82.8	159.2	178	-59.5	171.9	0	0	0	111.6	S146 A147 D154 V156 I235 I263 T312 R316	S146-L150 WeakPolarHBondContact O-CG 3.43Å; S146-L150 PolarHBondContact O-N 3.02Å; A147-L150 PolarHBondContact O-N 3.03Å; L150-D154 HydrophobicContact CB-CB 4.19Å; L150-D154 HydrophobicContact CD2-CB 4.42Å; L150-V156 HydrophobicContact CD1-CG2 4.4Å; L150-I235 HydrophobicContact CD1-CB 4.32Å; L150-I235 HydrophobicContact CD1-CD1 4.28Å; L150-I235 HydrophobicContact CD1-CG2 3.57Å; L150-I235 HydrophobicContact CD2-CB 4.42Å; L150-I235 HydrophobicContact CD2-CD1 4.36Å; L150-I235 HydrophobicContact CD2-CG2 4.47Å; L150-I263 HydrophobicContact CD2-CD1 4.25Å; L150-T312 HydrophobicContact CD2-CG2 4.2Å; L150-R316 HydrophobicContact CD2-CB 4.49Å; L150-R316 HydrophobicContact CD2-CG 4.14Å
151	E	98.3	Very high	98.6	Very high	81 Å²	81	18 Å²	18	38%	0.379	10%	0.1	S	C	.	.			trans	-76.2	154.8	162.6	-60.6	-59.1	146.3	0	0	109.9	N153 D154 R169 K313	E151-N153 PolarHBondContact O-N 3.07Å; E151-N153 VanDerWaalsContact O-N 3.15Å; E151-D154 PolarHBondContact N-OD2 3.17Å; E151-D154 PolarHBondContact O-N 2.76Å; E151-R169 PolarHBondContact O-NH2 3.03Å; E151-K313 IonicContact OE1-NZ 2.94Å
152	S	97.3	Very high	98.6	Very high	98 Å²	98	18 Å²	18	69%	0.685	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.9	-178.3	57.4	0	0	0	0	112.8	H203	S152-H203 PolarHBondContact O-CD2 3.01Å
153	N	97.5	Very high	98.6	Very high	61 Å²	61	18.1 Å²	18.1	33%	0.326	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.7	179	70.2	-7.2	0	0	0	114.4	E151 L155 H203 R232	E151-N153 PolarHBondContact O-N 3.07Å; E151-N153 VanDerWaalsContact O-N 3.15Å; N153-L155 PolarHBondContact O-N 3.22Å; N153-H203 VanDerWaalsContact CA-CD2 3.49Å; N153-H203 WeakPolarHBondContact CA-CD2 3.32Å; N153-R232 PolarHBondContact O-NE 3.24Å; N153-R232 PolarHBondContact O-NH2 2.77Å
154	D	98.8	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-63.2	137.3	172.7	-71	-28.9	0	0	0	109	L150 E151 R169 A233 R316	L150-D154 HydrophobicContact CB-CB 4.19Å; L150-D154 HydrophobicContact CD2-CB 4.42Å; E151-D154 PolarHBondContact N-OD2 3.17Å; E151-D154 PolarHBondContact O-N 2.76Å; D154-R169 VanDerWaalsContact O-CZ 3.3Å; D154-R169 PolarHBondContact O-NH1 2.77Å; D154-R169 PolarHBondContact O-NH2 3.14Å; D154-A233 WeakPolarHBondContact CA-O 3.37Å; D154-A233 WeakPolarHBondContact CB-O 3.43Å; D154-A233 PolarHBondContact OD1-N 2.93Å; D154-R316 IonicContact OD1-CZ 2.78Å; D154-R316 IonicContact OD1-NE 3.78Å; D154-R316 IonicContact OD1-NH2 2.78Å; D154-R316 PolarHBondContact OD1-NH2 3.4Å; D154-R316 VanDerWaalsContact OD1-NH2 3.11Å; D154-R316 IonicContact OD2-CZ 3.83Å; D154-R316 IonicContact OD2-NE 3.32Å; D154-R316 PolarHBondContact OD2-NE 2.91Å; D154-R316 IonicContact OD2-NH2 3.18Å; D154-R316 PolarHBondContact OD2-NH2 3.41Å
155	L	98.9	Very high	98.6	Very high	34 Å²	34	18.1 Å²	18.1	18%	0.178	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.7	-172.5	-174.6	66.8	0	0	0	110.6	N153 F157 H203 V205 A221 A233 V234 I235	N153-L155 PolarHBondContact O-N 3.22Å; L155-F157 HydrophobicContact CD2-CD2 4.5Å; L155-F157 HydrophobicContact CD2-CE2 3.61Å; L155-F157 HydrophobicContact CD2-CZ 4.27Å; L155-F157 HydrophobicContact CG-CD2 4.4Å; L155-F157 HydrophobicContact CG-CE2 3.96Å; L155-H203 HydrophobicContact CD1-CB 4.09Å; L155-V205 HydrophobicContact CD1-CG2 3.76Å; L155-V205 HydrophobicContact CD2-CG2 4.35Å; L155-V205 HydrophobicContact CG-CG2 4.08Å; L155-A221 HydrophobicContact CD2-CB 3.91Å; L155-A233 PolarHBondContact N-O 2.8Å; L155-A233 VanDerWaalsContact N-O 3.1Å; L155-V234 HydrophobicContact CB-CG2 4.27Å; L155-V234 WeakPolarHBondContact O-CA 3.29Å; L155-I235 PolarHBondContact O-N 3.47Å
156	V	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.6	-177.3	179.1	0	0	0	0	110.6	L150 V165 H203 F204 V205 I235 Y237	L150-V156 HydrophobicContact CD1-CG2 4.4Å; V156-V165 HydrophobicContact CG1-CG1 4.25Å; V156-V165 HydrophobicContact CG2-CG1 4.05Å; V156-H203 PolarHBondContact N-O 2.96Å; V156-F204 HydrophobicContact CB-CD2 3.84Å; V156-F204 HydrophobicContact CB-CE2 4.39Å; V156-F204 HydrophobicContact CB-CG 4.5Å; V156-F204 HydrophobicContact CG1-CD2 3.54Å; V156-F204 HydrophobicContact CG1-CE2 3.59Å; V156-F204 HydrophobicContact CG1-CG 4.49Å; V156-V205 PolarHBondContact O-N 3.32Å; V156-I235 HydrophobicContact CB-CG2 4.18Å; V156-I235 HydrophobicContact CG1-CG2 4.23Å; V156-I235 HydrophobicContact CG2-CG2 3.69Å; V156-Y237 HydrophobicContact CG1-CD2 4.02Å; V156-Y237 HydrophobicContact CG1-CE2 3.78Å
157	F	98.9	Very high	98.6	Very high	16 Å²	16	18.3 Å²	18.3	7%	0.07	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	162.7	-72.7	-101.8	0	0	0	108.9	L155 V205 Q214 Q217 A218 A221 V234 I235 C236 Y237	L155-F157 HydrophobicContact CD2-CD2 4.5Å; L155-F157 HydrophobicContact CD2-CE2 3.61Å; L155-F157 HydrophobicContact CD2-CZ 4.27Å; L155-F157 HydrophobicContact CG-CD2 4.4Å; L155-F157 HydrophobicContact CG-CE2 3.96Å; F157-V205 HydrophobicContact CD1-CB 3.91Å; F157-V205 HydrophobicContact CD1-CG1 3.91Å; F157-V205 HydrophobicContact CD1-CG2 4.08Å; F157-V205 HydrophobicContact CD2-CG2 4.1Å; F157-V205 HydrophobicContact CE1-CB 3.99Å; F157-V205 HydrophobicContact CE1-CG1 3.7Å; F157-V205 HydrophobicContact CE1-CG2 3.83Å; F157-V205 HydrophobicContact CE2-CG2 3.83Å; F157-V205 HydrophobicContact CG-CB 4.28Å; F157-V205 HydrophobicContact CG-CG2 4.24Å; F157-V205 HydrophobicContact CZ-CB 4.38Å; F157-V205 HydrophobicContact CZ-CG1 4.36Å; F157-V205 HydrophobicContact CZ-CG2 3.71Å; F157-Q214 HydrophobicContact CB-CB 4.19Å; F157-Q214 HydrophobicContact CB-CG 4.18Å; F157-Q214 HydrophobicContact CD1-CB 4.06Å; F157-Q217 HydrophobicContact CD1-CB 4.43Å; F157-Q217 HydrophobicContact CE1-CB 3.86Å; F157-Q217 HydrophobicContact CZ-CB 4.48Å; F157-A218 HydrophobicContact CB-CB 4.13Å; F157-A218 HydrophobicContact CD1-CB 4.47Å; F157-A218 HydrophobicContact CD2-CB 3.65Å; F157-A218 HydrophobicContact CE2-CB 4.09Å; F157-A218 HydrophobicContact CG-CB 3.85Å; F157-A221 HydrophobicContact CE2-CB 3.8Å; F157-A221 HydrophobicContact CZ-CB 3.95Å; F157-V234 HydrophobicContact CD2-CG1 3.77Å; F157-V234 HydrophobicContact CE2-CG1 4.07Å; F157-I235 PolarHBondContact N-O 2.97Å; F157-C236 HydrophobicContact CB-CB 4.44Å; F157-C236 WeakPolarHBondContact O-CA 3.47Å; F157-Y237 WeakPolarHBondContact O-CD2 3.24Å; F157-Y237 PolarHBondContact O-N 3.45Å
158	G	98.8	Very high	98.6	Very high	6 Å²	6	20.8 Å²	20.8	6%	0.062	11%	0.111	C	C	.	.			trans	-118.5	179	-179.7	0	0	0	0	0	112.9	I207 Q214	G158-I207 WeakPolarHBondContact O-CD1 3.48Å; G158-Q214 WeakPolarHBondContact O-CG 3.4Å
159	Q	98.7	Very high	98.6	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.023	11%	0.112	C	C	.	.			trans	-109.4	-58.7	177.6	-170.8	-170.8	3.5	0	0	111.6	E162 I207 L211	Q159-E162 PolarHBondContact N-OE2 3.34Å; Q159-I207 WeakPolarHBondContact O-CG2 3.46Å; Q159-L211 HydrophobicContact CG-CD2 4.09Å
160	Y	97.9	Very high	98.6	Very high	40 Å²	40	23.8 Å²	23.8	16%	0.157	13%	0.134	C	C	.	.	S	Bend	trans	177.2	-3.4	174.8	46.6	-115.6	0	0	0	113.3	M134 E162 V195 L211	M134-Y160 HydrophobicContact CE-CD2 3.36Å; M134-Y160 HydrophobicContact CE-CE2 3.36Å; M134-Y160 HydrophobicContact CE-CG 4.08Å; M134-Y160 HydrophobicContact SD-CD2 3.6Å; M134-Y160 HydrophobicContact SD-CE2 4.22Å; M134-Y160 HydrophobicContact SD-CG 3.83Å; Y160-E162 PolarHBondContact N-OE2 3.31Å; Y160-V195 VanDerWaalsContact O-CG1 3.32Å; Y160-V195 WeakPolarHBondContact O-CG1 3.37Å; Y160-L211 HydrophobicContact CE1-CD2 3.65Å
161	R	98.3	Very high	98.6	Very high	6 Å²	6	23.8 Å²	23.8	2%	0.023	13%	0.133	C	C	.	.			trans	-105.9	6.5	174.8	-62.6	-161.5	-171.6	-95.4	-6.6	113	T135 N136 E139 H143 A163 H338	T135-R161 PolarHBondContact O-NH1 3.08Å; N136-R161 PolarHBondContact OD1-O 3.15Å; E139-R161 WeakPolarHBondContact OE1-CD 3.48Å; E139-R161 IonicContact OE1-NE 3.93Å; H143-R161 PolarHBondContact CE1-O 3.46Å; H143-R161 PolarHBondContact ND1-O 3.02Å; H143-R161 PolarHBondContact NE2-O 2.98Å; R161-A163 PolarHBondContact O-N 3.42Å; R161-A163 VanDerWaalsContact O-N 3.07Å; R161-H338 PolarHBondContact NH2-O 3.48Å
162	E	98.8	Very high	98.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	21.2	-171.4	-67.9	66.7	-145.9	0	0	113.6	Q159 Y160 G164 V165 F204 Y237 R267	Q159-E162 PolarHBondContact N-OE2 3.34Å; Y160-E162 PolarHBondContact N-OE2 3.31Å; E162-G164 PolarHBondContact O-N 3.33Å; E162-G164 VanDerWaalsContact O-N 3.13Å; E162-V165 HydrophobicContact CB-CG2 4.22Å; E162-V165 WeakPolarHBondContact O-CB 3.39Å; E162-V165 PolarHBondContact O-N 3.03Å; E162-F204 HydrophobicContact CB-CE2 4Å; E162-F204 HydrophobicContact CB-CZ 3.97Å; E162-Y237 HydrophobicContact CG-CD1 4.09Å; E162-Y237 HydrophobicContact CG-CD2 3.78Å; E162-Y237 HydrophobicContact CG-CG 3.54Å; E162-Y237 WeakPolarHBondContact OE1-CB 3.49Å; E162-R267 IonicContact OE1-CZ 3.58Å; E162-R267 IonicContact OE1-NE 3.06Å; E162-R267 PolarHBondContact OE1-NE 3.12Å; E162-R267 IonicContact OE1-NH2 2.9Å; E162-R267 PolarHBondContact OE1-NH2 2.89Å
163	A	98.9	Very high	98.7	Very high	2 Å²	2	19 Å²	19	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-29	179.9	0	0	0	0	0	112.5	L114 R161 V165 L166 M167 F176 Y197	L114-A163 HydrophobicContact CD1-CB 3.86Å; R161-A163 PolarHBondContact O-N 3.42Å; R161-A163 VanDerWaalsContact O-N 3.07Å; A163-V165 VanDerWaalsContact C-N 3.29Å; A163-V165 PolarHBondContact O-N 3.41Å; A163-L166 PolarHBondContact O-N 3.42Å; A163-M167 WeakPolarHBondContact O-CB 3.37Å; A163-M167 PolarHBondContact O-N 3.46Å; A163-F176 HydrophobicContact CB-CE1 4.07Å; A163-Y197 HydrophobicContact CB-CD2 4.4Å; A163-Y197 HydrophobicContact CB-CE2 4.03Å
164	G	98.9	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-32.5	173.3	0	0	0	0	0	113.9	I144 E162 M167 Y168	I144-G164 WeakPolarHBondContact CD1-O 3.5Å; E162-G164 PolarHBondContact O-N 3.33Å; E162-G164 VanDerWaalsContact O-N 3.13Å; G164-M167 WeakPolarHBondContact O-CB 3.45Å; G164-M167 PolarHBondContact O-N 3.27Å; G164-Y168 WeakPolarHBondContact O-CB 3.09Å; G164-Y168 PolarHBondContact O-N 3.34Å
165	V	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-45.6	177.1	-180	0	0	0	0	110.3	H143 A147 V156 E162 A163 Y168 R169 F204 Y237	H143-V165 HydrophobicContact CB-CG2 4.25Å; A147-V165 HydrophobicContact CB-CB 4.29Å; A147-V165 HydrophobicContact CB-CG1 3.94Å; A147-V165 HydrophobicContact CB-CG2 4.3Å; V156-V165 HydrophobicContact CG1-CG1 4.25Å; V156-V165 HydrophobicContact CG2-CG1 4.05Å; E162-V165 HydrophobicContact CB-CG2 4.22Å; E162-V165 WeakPolarHBondContact O-CB 3.39Å; E162-V165 PolarHBondContact O-N 3.03Å; A163-V165 VanDerWaalsContact C-N 3.29Å; A163-V165 PolarHBondContact O-N 3.41Å; V165-Y168 PolarHBondContact O-N 3.22Å; V165-R169 WeakPolarHBondContact O-CG 3.11Å; V165-R169 PolarHBondContact O-N 2.7Å; V165-F204 HydrophobicContact CB-CE2 4.23Å; V165-F204 HydrophobicContact CG1-CD2 4.28Å; V165-F204 HydrophobicContact CG1-CE2 4.38Å; V165-Y237 HydrophobicContact CG2-CE2 4.08Å
166	L	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-43.8	174	-80.4	170.3	0	0	0	111.7	A163 Y168 R169 G170 F171 F176 Y197 C199 L202 F204	A163-L166 PolarHBondContact O-N 3.42Å; L166-Y168 VanDerWaalsContact C-N 3.3Å; L166-Y168 PolarHBondContact O-N 2.98Å; L166-R169 CarbonylContact O-C 3.52Å; L166-R169 PolarHBondContact O-N 2.97Å; L166-G170 PolarHBondContact O-N 3.21Å; L166-G170 VanDerWaalsContact O-N 3.13Å; L166-F171 HydrophobicContact CB-CB 3.76Å; L166-F171 HydrophobicContact CB-CD1 4.31Å; L166-F171 HydrophobicContact CB-CG 4.19Å; L166-F171 HydrophobicContact CD1-CD1 4.31Å; L166-F171 HydrophobicContact CD2-CB 4.05Å; L166-F171 HydrophobicContact CD2-CD1 4.49Å; L166-F171 HydrophobicContact CD2-CD2 4.08Å; L166-F171 HydrophobicContact CD2-CG 3.97Å; L166-F171 HydrophobicContact CG-CB 4.46Å; L166-F171 HydrophobicContact CG-CG 4.49Å; L166-F171 VanDerWaalsContact O-CB 3.26Å; L166-F171 WeakPolarHBondContact O-CB 3.44Å; L166-F171 PolarHBondContact O-N 3.23Å; L166-F176 HydrophobicContact CB-CE1 4.02Å; L166-F176 HydrophobicContact CB-CZ 3.57Å; L166-F176 HydrophobicContact CD1-CE1 4.12Å; L166-F176 HydrophobicContact CD1-CZ 4.49Å; L166-Y197 VanDerWaalsContact CD1-CB 3.43Å; L166-Y197 HydrophobicContact CD1-CD2 4.29Å; L166-Y197 HydrophobicContact CD1-CG 4.1Å; L166-C199 HydrophobicContact CD2-CB 3.99Å; L166-L202 HydrophobicContact CD2-CD1 4.31Å; L166-F204 HydrophobicContact CD1-CD1 4.01Å; L166-F204 HydrophobicContact CD1-CD2 4.45Å; L166-F204 HydrophobicContact CD1-CE1 4.01Å; L166-F204 HydrophobicContact CD1-CE2 4.45Å; L166-F204 HydrophobicContact CD1-CG 4.23Å; L166-F204 HydrophobicContact CD1-CZ 4.24Å; L166-F204 HydrophobicContact CD2-CB 3.69Å; L166-F204 HydrophobicContact CD2-CD1 4.19Å; L166-F204 HydrophobicContact CD2-CD2 4.06Å; L166-F204 HydrophobicContact CD2-CG 3.71Å; L166-F204 HydrophobicContact CG-CB 4.37Å; L166-F204 HydrophobicContact CG-CD1 4.15Å; L166-F204 HydrophobicContact CG-CD2 3.81Å; L166-F204 HydrophobicContact CG-CE1 4.4Å; L166-F204 HydrophobicContact CG-CE2 4.09Å; L166-F204 HydrophobicContact CG-CG 3.85Å; L166-F204 HydrophobicContact CG-CZ 4.38Å
167	M	98.9	Very high	98.7	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-42.7	176.8	-172.4	67.8	71.7	0	0	111.7	K110 L113 L114 M117 A163 G164 G170 L173 F176	K110-M167 HydrophobicContact CB-CG 4.27Å; K110-M167 HydrophobicContact CD-CG 4.1Å; K110-M167 WeakPolarHBondContact CD-O 3.49Å; K110-M167 PolarHBondContact NZ-O 3.01Å; L113-M167 HydrophobicContact CB-SD 4.35Å; L113-M167 HydrophobicContact CD2-SD 3.57Å; L113-M167 VanDerWaalsContact CD2-SD 3.57Å; L113-M167 HydrophobicContact CG-CE 4.23Å; L113-M167 HydrophobicContact CG-SD 3.86Å; L114-M167 HydrophobicContact CB-CE 4.31Å; L114-M167 HydrophobicContact CD1-CE 4.3Å; M117-M167 HydrophobicContact CE-CE 3.83Å; M117-M167 HydrophobicContact SD-CE 3.97Å; A163-M167 WeakPolarHBondContact O-CB 3.37Å; A163-M167 PolarHBondContact O-N 3.46Å; G164-M167 WeakPolarHBondContact O-CB 3.45Å; G164-M167 PolarHBondContact O-N 3.27Å; M167-G170 PolarHBondContact O-N 3.43Å; M167-L173 HydrophobicContact CE-CD2 3.79Å; M167-L173 HydrophobicContact SD-CD2 4.22Å; M167-F176 HydrophobicContact CB-CZ 4.43Å; M167-F176 HydrophobicContact CE-CD2 4.37Å; M167-F176 HydrophobicContact CE-CE2 3.84Å; M167-F176 HydrophobicContact CE-CZ 4.39Å; M167-F176 HydrophobicContact SD-CE2 4.31Å
168	Y	98.9	Very high	98.7	Very high	55 Å²	55	18.6 Å²	18.6	22%	0.216	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-43.8	175.5	-172.8	-96.6	0	0	0	112.2	N106 F107 K110 I144 A147 A148 G164 V165 L166 G170	N106-Y168 VanDerWaalsContact ND2-CE2 3.33Å; N106-Y168 WeakPolarHBondContact ND2-CE2 3.35Å; F107-Y168 AromaticContact CD1-CE2 3.83Å; F107-Y168 HydrophobicContact CD1-CE2 3.83Å; F107-Y168 AromaticContact CE1-CE2 3.79Å; F107-Y168 HydrophobicContact CE1-CE2 3.79Å; K110-Y168 HydrophobicContact CG-CD2 4.37Å; I144-Y168 HydrophobicContact CD1-CD2 4.37Å; I144-Y168 HydrophobicContact CG2-CD2 4.01Å; I144-Y168 HydrophobicContact CG2-CE2 4.47Å; A147-Y168 HydrophobicContact CB-CD1 3.73Å; A147-Y168 HydrophobicContact CB-CG 3.95Å; A148-Y168 VanDerWaalsContact CA-CZ 3.43Å; A148-Y168 WeakPolarHBondContact CA-OH 3.47Å; A148-Y168 HydrophobicContact CB-CE1 3.91Å; A148-Y168 HydrophobicContact CB-CE2 3.78Å; A148-Y168 VanDerWaalsContact CB-OH 3.28Å; A148-Y168 WeakPolarHBondContact CB-OH 3.37Å; G164-Y168 WeakPolarHBondContact O-CB 3.09Å; G164-Y168 PolarHBondContact O-N 3.34Å; V165-Y168 PolarHBondContact O-N 3.22Å; L166-Y168 VanDerWaalsContact C-N 3.3Å; L166-Y168 PolarHBondContact O-N 2.98Å; Y168-G170 PolarHBondContact O-N 3.44Å; Y168-G170 VanDerWaalsContact O-N 3.12Å
169	R	98.8	Very high	98.7	Very high	33 Å²	33	18.8 Å²	18.8	13%	0.125	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	1.8	177.3	-71.3	-171	171.9	-166.5	-5.5	114.3	E151 D154 V165 L166 L202 H203	E151-R169 PolarHBondContact O-NH2 3.03Å; D154-R169 VanDerWaalsContact O-CZ 3.3Å; D154-R169 PolarHBondContact O-NH1 2.77Å; D154-R169 PolarHBondContact O-NH2 3.14Å; V165-R169 WeakPolarHBondContact O-CG 3.11Å; V165-R169 PolarHBondContact O-N 2.7Å; L166-R169 CarbonylContact O-C 3.52Å; L166-R169 PolarHBondContact O-N 2.97Å; R169-L202 HydrophobicContact CB-CB 4.31Å; R169-L202 HydrophobicContact CB-CD1 4.09Å; R169-L202 HydrophobicContact CB-CD2 4.33Å; R169-L202 HydrophobicContact CB-CG 4.48Å; R169-L202 WeakPolarHBondContact CD-O 3.48Å; R169-L202 PolarHBondContact NH1-O 2.95Å; R169-L202 VanDerWaalsContact O-CD2 3.28Å; R169-L202 WeakPolarHBondContact O-CD2 3.47Å; R169-H203 PolarHBondContact NH1-O 3.48Å
170	G	98.4	Very high	98.7	Very high	44 Å²	44	18.7 Å²	18.7	45%	0.454	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	24.1	174.9	0	0	0	0	0	114	L166 M167 Y168 P172	L166-G170 PolarHBondContact O-N 3.21Å; L166-G170 VanDerWaalsContact O-N 3.13Å; M167-G170 PolarHBondContact O-N 3.43Å; Y168-G170 PolarHBondContact O-N 3.44Å; Y168-G170 VanDerWaalsContact O-N 3.12Å; G170-P172 WeakPolarHBondContact O-CD 3.39Å
171	F	98.6	Very high	98.8	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.057	10%	0.099	C	C	.	.			trans	-59.6	124.9	172.9	-164.3	-119.3	0	0	0	110.1	L166 L175 F176 C199 L202	L166-F171 HydrophobicContact CB-CB 3.76Å; L166-F171 HydrophobicContact CB-CD1 4.31Å; L166-F171 HydrophobicContact CB-CG 4.19Å; L166-F171 HydrophobicContact CD1-CD1 4.31Å; L166-F171 HydrophobicContact CD2-CB 4.05Å; L166-F171 HydrophobicContact CD2-CD1 4.49Å; L166-F171 HydrophobicContact CD2-CD2 4.08Å; L166-F171 HydrophobicContact CD2-CG 3.97Å; L166-F171 HydrophobicContact CG-CB 4.46Å; L166-F171 HydrophobicContact CG-CG 4.49Å; L166-F171 VanDerWaalsContact O-CB 3.26Å; L166-F171 WeakPolarHBondContact O-CB 3.44Å; L166-F171 PolarHBondContact O-N 3.23Å; F171-L175 HydrophobicContact CD1-CB 4.29Å; F171-L175 HydrophobicContact CD2-CD1 4.23Å; F171-L175 HydrophobicContact CE1-CB 3.58Å; F171-L175 HydrophobicContact CE2-CB 3.84Å; F171-L175 HydrophobicContact CE2-CD1 3.6Å; F171-L175 HydrophobicContact CE2-CG 4.38Å; F171-L175 HydrophobicContact CZ-CB 3.33Å; F171-L175 HydrophobicContact CZ-CD1 3.96Å; F171-L175 HydrophobicContact CZ-CG 4.3Å; F171-F176 HydrophobicContact CB-CE2 3.97Å; F171-F176 HydrophobicContact CB-CZ 4.18Å; F171-F176 AromaticContact CD1-CD1 3.85Å; F171-F176 HydrophobicContact CD1-CD1 3.85Å; F171-F176 AromaticContact CD1-CD2 3.62Å; F171-F176 HydrophobicContact CD1-CD2 3.62Å; F171-F176 AromaticContact CD1-CE1 3.78Å; F171-F176 HydrophobicContact CD1-CE1 3.78Å; F171-F176 AromaticContact CD1-CE2 3.57Å; F171-F176 HydrophobicContact CD1-CE2 3.57Å; F171-F176 AromaticContact CD1-CG 3.78Å; F171-F176 HydrophobicContact CD1-CG 3.78Å; F171-F176 AromaticContact CD1-CZ 3.66Å; F171-F176 HydrophobicContact CD1-CZ 3.66Å; F171-F176 HydrophobicContact CE1-CD1 4.03Å; F171-F176 HydrophobicContact CE1-CD2 4.33Å; F171-F176 HydrophobicContact CE1-CE1 4.29Å; F171-F176 HydrophobicContact CE1-CG 4.06Å; F171-F176 HydrophobicContact CG-CE2 4.26Å; F171-F176 HydrophobicContact CG-CZ 4.39Å; F171-C199 HydrophobicContact CD2-CB 3.95Å; F171-C199 HydrophobicContact CE2-CB 3.7Å; F171-L202 HydrophobicContact CB-CD1 3.73Å; F171-L202 HydrophobicContact CD2-CD1 3.83Å; F171-L202 HydrophobicContact CG-CD1 4.27Å
172	P	98.6	Very high	98.8	Very high	62 Å²	62	18.3 Å²	18.3	40%	0.403	11%	0.107	S	C	.	.			trans	-60.9	139.7	-177.8	-23.9	32.6	0	0	0	112.3	G170 D174 L175 F176	G170-P172 WeakPolarHBondContact O-CD 3.39Å; P172-D174 PolarHBondContact O-N 2.77Å; P172-L175 HydrophobicContact CB-CG 4.23Å; P172-L175 HydrophobicContact CG-CD1 4.13Å; P172-L175 HydrophobicContact CG-CG 4.27Å; P172-L175 PolarHBondContact O-N 2.86Å; P172-F176 PolarHBondContact O-N 3.1Å
173	L	98.9	Very high	98.8	Very high	18 Å²	18	18.3 Å²	18.3	9%	0.094	11%	0.107	C	C	.	.	H	α-helix	trans	-57	-36.1	172.1	-67.7	172.8	0	0	0	111.6	L113 M117 M167 L175 F176 M177 T391 V392 A395	L113-L173 HydrophobicContact CD1-CD1 4.25Å; L113-L173 HydrophobicContact CD2-CD1 4.49Å; M117-L173 HydrophobicContact SD-CD2 3.68Å; M167-L173 HydrophobicContact CE-CD2 3.79Å; M167-L173 HydrophobicContact SD-CD2 4.22Å; L173-L175 PolarHBondContact O-N 2.7Å; L173-F176 HydrophobicContact CD2-CD2 4.32Å; L173-F176 PolarHBondContact O-N 3.16Å; L173-M177 WeakPolarHBondContact O-CG 3.08Å; L173-M177 PolarHBondContact O-N 3.16Å; L173-T391 HydrophobicContact CD1-CG2 3.81Å; L173-V392 HydrophobicContact CD1-CG2 3.96Å; L173-V392 HydrophobicContact CD2-CG2 4.47Å; L173-A395 HydrophobicContact CB-CB 3.74Å
174	D	98.8	Very high	98.7	Very high	61 Å²	61	19.3 Å²	19.3	33%	0.326	12%	0.115	S	C	.	.	H	α-helix	trans	-56.9	-36.6	175.3	-65.5	-68.5	0	0	0	112.4	P172 A178 R398	P172-D174 PolarHBondContact O-N 2.77Å; D174-A178 WeakPolarHBondContact O-CB 3.3Å; D174-A178 PolarHBondContact O-N 3.39Å; D174-R398 VanDerWaalsContact CG-NH2 3.26Å; D174-R398 IonicContact OD1-CZ 2.64Å; D174-R398 IonicContact OD1-NE 3.32Å; D174-R398 PolarHBondContact OD1-NE 3.03Å; D174-R398 IonicContact OD1-NH2 2.91Å; D174-R398 PolarHBondContact OD1-NH2 2.92Å; D174-R398 IonicContact OD2-CZ 2.88Å; D174-R398 IonicContact OD2-NE 3.11Å; D174-R398 IonicContact OD2-NH2 2.77Å; D174-R398 PolarHBondContact OD2-NH2 2.78Å
175	L	98.9	Very high	98.7	Very high	41 Å²	41	22.8 Å²	22.8	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-78.9	-34.4	179	-63.8	-173.8	0	0	0	112.9	F171 P172 L173 M177 A178 Q179 L187	F171-L175 HydrophobicContact CD1-CB 4.29Å; F171-L175 HydrophobicContact CD2-CD1 4.23Å; F171-L175 HydrophobicContact CE1-CB 3.58Å; F171-L175 HydrophobicContact CE2-CB 3.84Å; F171-L175 HydrophobicContact CE2-CD1 3.6Å; F171-L175 HydrophobicContact CE2-CG 4.38Å; F171-L175 HydrophobicContact CZ-CB 3.33Å; F171-L175 HydrophobicContact CZ-CD1 3.96Å; F171-L175 HydrophobicContact CZ-CG 4.3Å; P172-L175 HydrophobicContact CB-CG 4.23Å; P172-L175 HydrophobicContact CG-CD1 4.13Å; P172-L175 HydrophobicContact CG-CG 4.27Å; P172-L175 PolarHBondContact O-N 2.86Å; L173-L175 PolarHBondContact O-N 2.7Å; L175-M177 VanDerWaalsContact C-N 3.29Å; L175-M177 PolarHBondContact O-N 3.33Å; L175-A178 PolarHBondContact O-N 3.14Å; L175-Q179 WeakPolarHBondContact O-CB 3.28Å; L175-Q179 PolarHBondContact O-N 2.82Å; L175-Q179 VanDerWaalsContact O-N 3.1Å; L175-L187 HydrophobicContact CD1-CD1 4.32Å
176	F	98.9	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-47	168.7	-78.3	-66.8	0	0	0	110.7	M117 A163 L166 M167 F171 P172 L173 C180 Y197	M117-F176 HydrophobicContact CE-CB 4.32Å; M117-F176 HydrophobicContact CE-CD1 3.94Å; M117-F176 HydrophobicContact CE-CD2 4.12Å; M117-F176 HydrophobicContact CE-CE1 4.2Å; M117-F176 HydrophobicContact CE-CE2 4.36Å; M117-F176 HydrophobicContact CE-CG 3.9Å; M117-F176 HydrophobicContact CE-CZ 4.38Å; M117-F176 HydrophobicContact SD-CB 3.75Å; M117-F176 HydrophobicContact SD-CD1 4.43Å; M117-F176 HydrophobicContact SD-CD2 3.87Å; M117-F176 HydrophobicContact SD-CG 3.8Å; A163-F176 HydrophobicContact CB-CE1 4.07Å; L166-F176 HydrophobicContact CB-CE1 4.02Å; L166-F176 HydrophobicContact CB-CZ 3.57Å; L166-F176 HydrophobicContact CD1-CE1 4.12Å; L166-F176 HydrophobicContact CD1-CZ 4.49Å; M167-F176 HydrophobicContact CB-CZ 4.43Å; M167-F176 HydrophobicContact CE-CD2 4.37Å; M167-F176 HydrophobicContact CE-CE2 3.84Å; M167-F176 HydrophobicContact CE-CZ 4.39Å; M167-F176 HydrophobicContact SD-CE2 4.31Å; F171-F176 HydrophobicContact CB-CE2 3.97Å; F171-F176 HydrophobicContact CB-CZ 4.18Å; F171-F176 AromaticContact CD1-CD1 3.85Å; F171-F176 HydrophobicContact CD1-CD1 3.85Å; F171-F176 AromaticContact CD1-CD2 3.62Å; F171-F176 HydrophobicContact CD1-CD2 3.62Å; F171-F176 AromaticContact CD1-CE1 3.78Å; F171-F176 HydrophobicContact CD1-CE1 3.78Å; F171-F176 AromaticContact CD1-CE2 3.57Å; F171-F176 HydrophobicContact CD1-CE2 3.57Å; F171-F176 AromaticContact CD1-CG 3.78Å; F171-F176 HydrophobicContact CD1-CG 3.78Å; F171-F176 AromaticContact CD1-CZ 3.66Å; F171-F176 HydrophobicContact CD1-CZ 3.66Å; F171-F176 HydrophobicContact CE1-CD1 4.03Å; F171-F176 HydrophobicContact CE1-CD2 4.33Å; F171-F176 HydrophobicContact CE1-CE1 4.29Å; F171-F176 HydrophobicContact CE1-CG 4.06Å; F171-F176 HydrophobicContact CG-CE2 4.26Å; F171-F176 HydrophobicContact CG-CZ 4.39Å; P172-F176 PolarHBondContact O-N 3.1Å; L173-F176 HydrophobicContact CD2-CD2 4.32Å; L173-F176 PolarHBondContact O-N 3.16Å; F176-C180 PolarHBondContact O-N 3.07Å; F176-C180 PolarHBondContact O-SG 3.28Å; F176-C180 VanDerWaalsContact O-SG 3.42Å; F176-Y197 HydrophobicContact CB-CE1 4.46Å; F176-Y197 AromaticContact CD1-CD1 3.97Å; F176-Y197 HydrophobicContact CD1-CD1 3.97Å; F176-Y197 HydrophobicContact CD1-CD2 4.09Å; F176-Y197 AromaticContact CD1-CE1 3.69Å; F176-Y197 HydrophobicContact CD1-CE1 3.69Å; F176-Y197 AromaticContact CD1-CE2 3.79Å; F176-Y197 HydrophobicContact CD1-CE2 3.79Å; F176-Y197 HydrophobicContact CD1-CG 4.17Å; F176-Y197 AromaticContact CD1-CZ 3.58Å; F176-Y197 AromaticContact CE1-CD2 4Å; F176-Y197 HydrophobicContact CE1-CD2 4Å; F176-Y197 AromaticContact CE1-CE2 3.95Å; F176-Y197 HydrophobicContact CE1-CE2 3.95Å; F176-Y197 HydrophobicContact CE1-CG 4.29Å
177	M	98.8	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-45.1	179.5	-60.4	-71.5	173.7	0	0	111.1	M117 L121 L173 L175 Q179 C180 Y181 V392 A395 F396 A399	M117-M177 HydrophobicContact CG-CE 4.07Å; L121-M177 HydrophobicContact CD1-CE 4.08Å; L121-M177 HydrophobicContact CD1-SD 3.87Å; L121-M177 HydrophobicContact CD2-CE 4.43Å; L121-M177 HydrophobicContact CD2-SD 3.59Å; L121-M177 VanDerWaalsContact CD2-SD 3.59Å; L121-M177 HydrophobicContact CG-CE 4.15Å; L121-M177 HydrophobicContact CG-SD 3.91Å; L173-M177 WeakPolarHBondContact O-CG 3.08Å; L173-M177 PolarHBondContact O-N 3.16Å; L175-M177 VanDerWaalsContact C-N 3.29Å; L175-M177 PolarHBondContact O-N 3.33Å; M177-Q179 VanDerWaalsContact C-N 3.31Å; M177-Q179 PolarHBondContact O-N 2.95Å; M177-C180 PolarHBondContact O-N 3.26Å; M177-Y181 WeakPolarHBondContact O-CB 3.46Å; M177-Y181 WeakPolarHBondContact O-CD2 3.41Å; M177-Y181 PolarHBondContact O-N 3.4Å; M177-V392 HydrophobicContact CE-CG1 3.57Å; M177-A395 HydrophobicContact CG-CB 4.15Å; M177-F396 HydrophobicContact CE-CB 4.23Å; M177-F396 HydrophobicContact SD-CB 4.21Å; M177-F396 HydrophobicContact SD-CD2 4.25Å; M177-A399 HydrophobicContact CB-CB 3.38Å; M177-A399 HydrophobicContact CG-CB 4.38Å
178	A	98.8	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-45.7	179.6	0	0	0	0	0	112.2	D174 L175 Y181 A182 N183 D185 D186	D174-A178 WeakPolarHBondContact O-CB 3.3Å; D174-A178 PolarHBondContact O-N 3.39Å; L175-A178 PolarHBondContact O-N 3.14Å; A178-Y181 CarbonylContact O-C 3.57Å; A178-Y181 PolarHBondContact O-N 2.81Å; A178-A182 WeakPolarHBondContact O-CA 3.33Å; A178-A182 PolarHBondContact O-N 2.73Å; A178-N183 WeakPolarHBondContact CA-OD1 3.17Å; A178-N183 WeakPolarHBondContact CB-OD1 3.2Å; A178-N183 PolarHBondContact O-N 2.78Å; A178-N183 VanDerWaalsContact O-N 3.08Å; A178-D185 HydrophobicContact CB-CB 4.2Å; A178-D186 HydrophobicContact CB-CB 4.25Å
179	Q	98.9	Very high	98.6	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-45.3	177.4	-165	-75.7	-45.8	0	0	111.8	L175 M177 Y181 A182 M193 Y197	L175-Q179 WeakPolarHBondContact O-CB 3.28Å; L175-Q179 PolarHBondContact O-N 2.82Å; L175-Q179 VanDerWaalsContact O-N 3.1Å; M177-Q179 VanDerWaalsContact C-N 3.31Å; M177-Q179 PolarHBondContact O-N 2.95Å; Q179-Y181 VanDerWaalsContact C-N 3.34Å; Q179-Y181 PolarHBondContact O-N 2.83Å; Q179-A182 PolarHBondContact O-N 2.99Å; Q179-M193 PolarHBondContact NE2-O 2.76Å; Q179-Y197 HydrophobicContact CB-CD1 3.95Å; Q179-Y197 HydrophobicContact CB-CE1 4.1Å; Q179-Y197 HydrophobicContact CG-CD1 3.93Å; Q179-Y197 HydrophobicContact CG-CE1 4.35Å; Q179-Y197 VanDerWaalsContact OE1-CE1 3.24Å
180	C	98.9	Very high	98.5	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-35.1	178.3	-70.6	0	0	0	0	113.4	I130 F176 M177 A182 P194 Y197	I130-C180 HydrophobicContact CD1-CB 4.33Å; I130-C180 HydrophobicContact CG2-CB 4.43Å; F176-C180 PolarHBondContact O-N 3.07Å; F176-C180 PolarHBondContact O-SG 3.28Å; F176-C180 VanDerWaalsContact O-SG 3.42Å; M177-C180 PolarHBondContact O-N 3.26Å; C180-A182 VanDerWaalsContact C-N 3.32Å; C180-P194 HydrophobicContact CB-CB 4.24Å; C180-P194 WeakPolarHBondContact O-CG 3.36Å; C180-Y197 PolarHBondContact SG-OH 2.91Å
181	Y	98.8	Very high	98.6	Very high	13 Å²	13	33.9 Å²	33.9	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-82.9	-9.7	176.5	-84.4	-96.2	0	0	0	112.5	L121 S124 R129 I130 M177 A178 Q179 N183 F396 A399 E400 K404	L121-Y181 HydrophobicContact CD2-CE2 4.29Å; S124-Y181 PolarHBondContact OG-OH 2.84Å; S124-Y181 VanDerWaalsContact OG-OH 3.05Å; R129-Y181 HydrophobicContact CB-CE1 4.48Å; I130-Y181 HydrophobicContact CG2-CD1 4.06Å; I130-Y181 HydrophobicContact CG2-CD2 3.67Å; I130-Y181 HydrophobicContact CG2-CE1 3.96Å; I130-Y181 HydrophobicContact CG2-CE2 3.55Å; I130-Y181 HydrophobicContact CG2-CG 3.92Å; M177-Y181 WeakPolarHBondContact O-CB 3.46Å; M177-Y181 WeakPolarHBondContact O-CD2 3.41Å; M177-Y181 PolarHBondContact O-N 3.4Å; A178-Y181 CarbonylContact O-C 3.57Å; A178-Y181 PolarHBondContact O-N 2.81Å; Q179-Y181 VanDerWaalsContact C-N 3.34Å; Q179-Y181 PolarHBondContact O-N 2.83Å; Y181-N183 PolarHBondContact O-N 3.09Å; Y181-F396 HydrophobicContact CE2-CD2 4.29Å; Y181-F396 HydrophobicContact CE2-CE2 4.18Å; Y181-F396 AromaticContact CZ-CE2 3.95Å; Y181-F396 WeakPolarHBondContact OH-CE2 3.41Å; Y181-F396 WeakPolarHBondContact OH-CZ 3.45Å; Y181-A399 HydrophobicContact CD2-CB 4.21Å; Y181-E400 HydrophobicContact CE1-CB 3.94Å; Y181-E400 HydrophobicContact CE1-CG 4.17Å; Y181-K404 PolarHBondContact O-NZ 3.44Å
182	A	98.4	Very high	98.6	Very high	25 Å²	25	36.9 Å²	36.9	21%	0.207	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	44.2	-169.6	0	0	0	0	0	111.4	A178 Q179 C180 K404 P405	A178-A182 WeakPolarHBondContact O-CA 3.33Å; A178-A182 PolarHBondContact O-N 2.73Å; Q179-A182 PolarHBondContact O-N 2.99Å; C180-A182 VanDerWaalsContact C-N 3.32Å; A182-K404 WeakPolarHBondContact O-CD 3.42Å; A182-P405 WeakPolarHBondContact O-CD 3.31Å
183	N	98.6	Very high	98.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.21	C	C	.	.			trans	-89.3	172.9	180	77.7	26.1	0	0	0	111.4	A178 Y181 D185 D186 A399 R402 L403	A178-N183 WeakPolarHBondContact CA-OD1 3.17Å; A178-N183 WeakPolarHBondContact CB-OD1 3.2Å; A178-N183 PolarHBondContact O-N 2.78Å; A178-N183 VanDerWaalsContact O-N 3.08Å; Y181-N183 PolarHBondContact O-N 3.09Å; N183-D185 PolarHBondContact O-N 3.29Å; N183-D185 VanDerWaalsContact O-N 3.15Å; N183-D185 PolarHBondContact OD1-N 3.44Å; N183-D186 VanDerWaalsContact O-CB 3.25Å; N183-D186 WeakPolarHBondContact O-CB 3.42Å; N183-D186 PolarHBondContact O-N 3.26Å; N183-A399 WeakPolarHBondContact ND2-CA 3.34Å; N183-A399 PolarHBondContact ND2-O 2.94Å; N183-R402 HydrophobicContact CB-CB 3.95Å; N183-R402 HydrophobicContact CB-CG 4.1Å; N183-L403 CarbonylContact C-O 3.54Å; N183-L403 WeakPolarHBondContact CA-O 3.34Å; N183-L403 WeakPolarHBondContact CB-O 3.41Å
184	A	98.3	Very high	98.6	Very high	23 Å²	23	37.8 Å²	37.8	19%	0.19	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.5	-173.8	0	0	0	0	0	115	D186 R402 L403 E446	A184-D186 VanDerWaalsContact C-N 3.29Å; A184-R402 HydrophobicContact CB-CG 4.44Å; A184-L403 WeakPolarHBondContact CB-O 3.4Å; A184-L403 PolarHBondContact N-O 2.88Å; A184-E446 HydrophobicContact CB-CG 3.85Å; A184-E446 VanDerWaalsContact CB-OE1 3.28Å; A184-E446 WeakPolarHBondContact CB-OE1 3.41Å; A184-E446 WeakPolarHBondContact CB-OE2 3.27Å
185	D	98.3	Very high	98.6	Very high	73 Å²	73	35 Å²	35	39%	0.39	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.3	178.5	-55.4	-28.1	0	0	0	111.8	A178 N183 L187 R402	A178-D185 HydrophobicContact CB-CB 4.2Å; N183-D185 PolarHBondContact O-N 3.29Å; N183-D185 VanDerWaalsContact O-N 3.15Å; N183-D185 PolarHBondContact OD1-N 3.44Å; D185-L187 PolarHBondContact O-N 2.86Å; D185-R402 VanDerWaalsContact CG-NE 3.29Å; D185-R402 IonicContact OD1-CZ 3.46Å; D185-R402 IonicContact OD1-NE 3.64Å; D185-R402 PolarHBondContact OD1-NE 2.99Å; D185-R402 IonicContact OD1-NH2 2.71Å; D185-R402 PolarHBondContact OD1-NH2 2.99Å; D185-R402 WeakPolarHBondContact OD2-CD 3.43Å; D185-R402 WeakPolarHBondContact OD2-CG 3.38Å; D185-R402 IonicContact OD2-NE 3.54Å; D185-R402 PolarHBondContact OD2-NE 3.39Å
186	D	98.6	Very high	98.6	Very high	16 Å²	16	33.9 Å²	33.9	9%	0.086	19%	0.187	C	C	.	.			trans	-69.6	117.5	173.7	178.9	24.4	0	0	0	110.8	A178 N183 A184 G188 K189 G190	A178-D186 HydrophobicContact CB-CB 4.25Å; N183-D186 VanDerWaalsContact O-CB 3.25Å; N183-D186 WeakPolarHBondContact O-CB 3.42Å; N183-D186 PolarHBondContact O-N 3.26Å; A184-D186 VanDerWaalsContact C-N 3.29Å; D186-G188 VanDerWaalsContact CG-N 3.35Å; D186-G188 PolarHBondContact O-N 3.5Å; D186-G188 WeakPolarHBondContact OD1-CA 3.35Å; D186-G188 PolarHBondContact OD1-N 3.06Å; D186-K189 WeakPolarHBondContact O-CA 3.46Å; D186-K189 PolarHBondContact O-N 3.04Å; D186-K189 PolarHBondContact OD2-N 3.18Å; D186-G190 WeakPolarHBondContact OD2-CA 3.43Å; D186-G190 PolarHBondContact OD2-N 3.17Å
187	L	97	Very high	98.6	Very high	123 Å²	123	34.1 Å²	34.1	64%	0.644	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.2	173.6	-57.3	-178.6	0	0	0	112.3	L175 D185 K189	L175-L187 HydrophobicContact CD1-CD1 4.32Å; D185-L187 PolarHBondContact O-N 2.86Å; L187-K189 PolarHBondContact O-N 2.69Å
188	G	98.3	Very high	98.6	Very high	39 Å²	39	35 Å²	35	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	0.2	171	0	0	0	0	0	114.4	D186 G190 R191	D186-G188 VanDerWaalsContact CG-N 3.35Å; D186-G188 PolarHBondContact O-N 3.5Å; D186-G188 WeakPolarHBondContact OD1-CA 3.35Å; D186-G188 PolarHBondContact OD1-N 3.06Å; G188-G190 PolarHBondContact O-N 2.99Å; G188-R191 PolarHBondContact O-N 3.29Å
189	K	98.6	Very high	98.6	Very high	64 Å²	64	35.7 Å²	35.7	28%	0.278	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	28.5	176.1	-55.4	174.3	-179.8	-177.9	0	113.3	D186 L187 R191 L409 D413	D186-K189 WeakPolarHBondContact O-CA 3.46Å; D186-K189 PolarHBondContact O-N 3.04Å; D186-K189 PolarHBondContact OD2-N 3.18Å; L187-K189 PolarHBondContact O-N 2.69Å; K189-R191 HydrophobicContact CB-CG 4.31Å; K189-R191 VanDerWaalsContact CD-NH2 3.29Å; K189-R191 PolarHBondContact O-N 2.95Å; K189-L409 HydrophobicContact CB-CD1 4.34Å; K189-L409 HydrophobicContact CD-CD1 4.37Å; K189-L409 HydrophobicContact CD-CD2 4.47Å; K189-L409 HydrophobicContact CG-CD1 4.32Å; K189-D413 WeakPolarHBondContact CE-OD2 3.35Å; K189-D413 IonicContact NZ-OD1 2.81Å; K189-D413 PolarHBondContact NZ-OD1 3.2Å; K189-D413 IonicContact NZ-OD2 3.05Å; K189-D413 PolarHBondContact NZ-OD2 2.88Å
190	G	98.3	Very high	98.5	Very high	26 Å²	26	44.1 Å²	44.1	27%	0.268	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	19.5	178.2	0	0	0	0	0	114.7	D186 G188	D186-G190 WeakPolarHBondContact OD2-CA 3.43Å; D186-G190 PolarHBondContact OD2-N 3.17Å; G188-G190 PolarHBondContact O-N 2.99Å
191	R	98.8	Very high	98.5	Very high	100 Å²	100	50.3 Å²	50.3	38%	0.377	27%	0.271	S	S	.	.			trans	-87.4	-23.6	-171.5	-66.2	178	-176.8	145.8	-0.9	114.6	G188 K189 L409 T412 D413	G188-R191 PolarHBondContact O-N 3.29Å; K189-R191 HydrophobicContact CB-CG 4.31Å; K189-R191 VanDerWaalsContact CD-NH2 3.29Å; K189-R191 PolarHBondContact O-N 2.95Å; R191-L409 VanDerWaalsContact CZ-O 3.3Å; R191-L409 PolarHBondContact NE-O 3.13Å; R191-L409 VanDerWaalsContact NE-O 3.11Å; R191-L409 PolarHBondContact NH2-O 3.04Å; R191-T412 VanDerWaalsContact CZ-O 3.29Å; R191-T412 PolarHBondContact NH2-O 2.99Å; R191-T412 PolarHBondContact NH2-OG1 3.03Å; R191-D413 IonicContact CZ-OD2 3.76Å; R191-D413 VanDerWaalsContact CZ-OD2 3.23Å; R191-D413 IonicContact NH1-OD2 2.76Å; R191-D413 PolarHBondContact NH1-OD2 3.14Å; R191-D413 IonicContact NH2-OD2 3.03Å; R191-D413 PolarHBondContact NH2-OD2 3.13Å
192	Q	98.8	Very high	98.5	Very high	76 Å²	76	51.6 Å²	51.6	36%	0.355	28%	0.278	S	S	.	.	S	Bend	trans	-105.7	161.1	-177	-70.4	-141.6	79.9	0	0	112.1	H196 T206 I207	Q192-H196 HydrophobicContact CB-CB 3.79Å; Q192-H196 PolarHBondContact OE1-ND1 3.15Å; Q192-T206 VanDerWaalsContact NE2-CG2 3.28Å; Q192-I207 PolarHBondContact NE2-O 3.49Å
193	M	98.8	Very high	98.5	Very high	93 Å²	93	53.3 Å²	53.3	46%	0.458	28%	0.282	S	S	.	.			trans	-58	147.8	172.3	-169.2	173.8	-60.6	0	0	110.6	F132 Q179 H196	F132-M193 HydrophobicContact CB-CG 4.02Å; F132-M193 HydrophobicContact CB-SD 4.26Å; F132-M193 HydrophobicContact CD1-CG 3.87Å; F132-M193 HydrophobicContact CD1-SD 3.73Å; F132-M193 HydrophobicContact CD2-SD 4.31Å; F132-M193 HydrophobicContact CE1-SD 4.06Å; F132-M193 HydrophobicContact CG-CG 4.11Å; F132-M193 HydrophobicContact CG-SD 3.85Å; F132-M193 HydrophobicContact CZ-SD 4.5Å; Q179-M193 PolarHBondContact NE2-O 2.76Å; M193-H196 VanDerWaalsContact O-CB 3.26Å; M193-H196 WeakPolarHBondContact O-CB 3.32Å; M193-H196 PolarHBondContact O-N 3.05Å
194	P	98.9	Very high	98.5	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.039	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	149.6	170.8	-31.4	37.7	0	0	0	112.9	S131 F132 C180 H196	S131-P194 WeakPolarHBondContact OG-CD 3.48Å; S131-P194 WeakPolarHBondContact OG-CG 3.17Å; F132-P194 HydrophobicContact CB-CB 4.35Å; F132-P194 HydrophobicContact CB-CG 4.26Å; F132-P194 WeakPolarHBondContact O-CB 3.44Å; C180-P194 HydrophobicContact CB-CB 4.24Å; C180-P194 WeakPolarHBondContact O-CG 3.36Å; P194-H196 PolarHBondContact O-N 3.2Å
195	V	98.8	Very high	98.6	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.012	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	0.7	-176.4	-167.3	0	0	0	0	114.3	Y133 M134 Y160 Y197	Y133-V195 HydrophobicContact CD2-CG2 3.55Å; Y133-V195 HydrophobicContact CE2-CG2 3.77Å; Y133-V195 HydrophobicContact CG-CG2 4.27Å; M134-V195 HydrophobicContact CB-CG1 4.43Å; Y160-V195 VanDerWaalsContact O-CG1 3.32Å; Y160-V195 WeakPolarHBondContact O-CG1 3.37Å; V195-Y197 HydrophobicContact CB-CE2 4.22Å; V195-Y197 HydrophobicContact CG1-CD2 4.43Å; V195-Y197 HydrophobicContact CG1-CE2 3.8Å; V195-Y197 WeakPolarHBondContact O-CD2 3.42Å; V195-Y197 PolarHBondContact O-N 3.31Å
196	H	98.9	Very high	98.6	Very high	19 Å²	19	55.1 Å²	55.1	9%	0.088	29%	0.292	C	S	.	.			trans	-85.7	62.2	172.5	-71.2	-150.3	0	0	0	112	Q192 M193 P194 I207	Q192-H196 HydrophobicContact CB-CB 3.79Å; Q192-H196 PolarHBondContact OE1-ND1 3.15Å; M193-H196 VanDerWaalsContact O-CB 3.26Å; M193-H196 WeakPolarHBondContact O-CB 3.32Å; M193-H196 PolarHBondContact O-N 3.05Å; P194-H196 PolarHBondContact O-N 3.2Å; H196-I207 HydrophobicContact CB-CB 4.33Å; H196-I207 HydrophobicContact CB-CG2 4.38Å
197	Y	98.9	Very high	98.6	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.02	29%	0.29	C	S	.	.			trans	-70.5	156	-175.7	-50.5	-58.1	0	0	0	112.9	A163 L166 F176 Q179 C180 V195 T206 I207	A163-Y197 HydrophobicContact CB-CD2 4.4Å; A163-Y197 HydrophobicContact CB-CE2 4.03Å; L166-Y197 VanDerWaalsContact CD1-CB 3.43Å; L166-Y197 HydrophobicContact CD1-CD2 4.29Å; L166-Y197 HydrophobicContact CD1-CG 4.1Å; F176-Y197 HydrophobicContact CB-CE1 4.46Å; F176-Y197 AromaticContact CD1-CD1 3.97Å; F176-Y197 HydrophobicContact CD1-CD1 3.97Å; F176-Y197 HydrophobicContact CD1-CD2 4.09Å; F176-Y197 AromaticContact CD1-CE1 3.69Å; F176-Y197 HydrophobicContact CD1-CE1 3.69Å; F176-Y197 AromaticContact CD1-CE2 3.79Å; F176-Y197 HydrophobicContact CD1-CE2 3.79Å; F176-Y197 HydrophobicContact CD1-CG 4.17Å; F176-Y197 AromaticContact CD1-CZ 3.58Å; F176-Y197 AromaticContact CE1-CD2 4Å; F176-Y197 HydrophobicContact CE1-CD2 4Å; F176-Y197 AromaticContact CE1-CE2 3.95Å; F176-Y197 HydrophobicContact CE1-CE2 3.95Å; F176-Y197 HydrophobicContact CE1-CG 4.29Å; Q179-Y197 HydrophobicContact CB-CD1 3.95Å; Q179-Y197 HydrophobicContact CB-CE1 4.1Å; Q179-Y197 HydrophobicContact CG-CD1 3.93Å; Q179-Y197 HydrophobicContact CG-CE1 4.35Å; Q179-Y197 VanDerWaalsContact OE1-CE1 3.24Å; C180-Y197 PolarHBondContact SG-OH 2.91Å; V195-Y197 HydrophobicContact CB-CE2 4.22Å; V195-Y197 HydrophobicContact CG1-CD2 4.43Å; V195-Y197 HydrophobicContact CG1-CE2 3.8Å; V195-Y197 WeakPolarHBondContact O-CD2 3.42Å; V195-Y197 PolarHBondContact O-N 3.31Å; Y197-T206 WeakPolarHBondContact O-CA 3.38Å; Y197-I207 WeakPolarHBondContact O-CG1 3.35Å; Y197-I207 PolarHBondContact O-N 2.61Å
198	G	98.7	Very high	98.7	Very high	19 Å²	19	50.9 Å²	50.9	20%	0.196	27%	0.274	C	S	.	.			trans	-160.3	143.5	174.4	0	0	0	0	0	110.4
199	C	98.6	Very high	98.7	Very high	13 Å²	13	52.4 Å²	52.4	9%	0.088	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-153.3	108.9	177.1	-172.1	0	0	0	0	110.9	L166 F171 L202 H203 F204	L166-C199 HydrophobicContact CD2-CB 3.99Å; F171-C199 HydrophobicContact CD2-CB 3.95Å; F171-C199 HydrophobicContact CE2-CB 3.7Å; C199-L202 HydrophobicContact CB-CB 4.07Å; C199-L202 HydrophobicContact CB-CG 4.43Å; C199-L202 PolarHBondContact O-N 3.42Å; C199-L202 VanDerWaalsContact SG-CG 3.59Å; C199-H203 PolarHBondContact O-N 3.42Å; C199-F204 CarbonylContact C-O 3.18Å; C199-F204 PolarHBondContact N-O 3.46Å; C199-F204 PolarHBondContact O-N 3.2Å
200	K	98.4	Very high	98.7	Very high	186 Å²	186	53.1 Å²	53.1	81%	0.809	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-45.2	178.4	-178	-179.7	175.2	-176.6	0	111.8	L202 H203	K200-L202 VanDerWaalsContact C-N 3.25Å; K200-L202 PolarHBondContact O-N 3.19Å; K200-H203 PolarHBondContact O-N 3.03Å
201	D	98.2	Very high	98.7	Very high	135 Å²	135	54.7 Å²	54.7	72%	0.722	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.4	-175.2	-62	-15.2	0	0	0	112.5
202	L	98.5	Very high	98.7	Very high	39 Å²	39	49.9 Å²	49.9	20%	0.204	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	13.7	173.5	-58.9	-177.6	0	0	0	112.8	L166 R169 F171 C199 K200 F204	L166-L202 HydrophobicContact CD2-CD1 4.31Å; R169-L202 HydrophobicContact CB-CB 4.31Å; R169-L202 HydrophobicContact CB-CD1 4.09Å; R169-L202 HydrophobicContact CB-CD2 4.33Å; R169-L202 HydrophobicContact CB-CG 4.48Å; R169-L202 WeakPolarHBondContact CD-O 3.48Å; R169-L202 PolarHBondContact NH1-O 2.95Å; R169-L202 VanDerWaalsContact O-CD2 3.28Å; R169-L202 WeakPolarHBondContact O-CD2 3.47Å; F171-L202 HydrophobicContact CB-CD1 3.73Å; F171-L202 HydrophobicContact CD2-CD1 3.83Å; F171-L202 HydrophobicContact CG-CD1 4.27Å; C199-L202 HydrophobicContact CB-CB 4.07Å; C199-L202 HydrophobicContact CB-CG 4.43Å; C199-L202 PolarHBondContact O-N 3.42Å; C199-L202 VanDerWaalsContact SG-CG 3.59Å; K200-L202 VanDerWaalsContact C-N 3.25Å; K200-L202 PolarHBondContact O-N 3.19Å; L202-F204 PolarHBondContact O-N 3.46Å
203	H	98.8	Very high	98.7	Very high	62 Å²	62	47.8 Å²	47.8	29%	0.287	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	43.5	178.7	-51.8	-73.8	0	0	0	113.3	S152 N153 L155 V156 R169 C199 K200	S152-H203 PolarHBondContact O-CD2 3.01Å; N153-H203 VanDerWaalsContact CA-CD2 3.49Å; N153-H203 WeakPolarHBondContact CA-CD2 3.32Å; L155-H203 HydrophobicContact CD1-CB 4.09Å; V156-H203 PolarHBondContact N-O 2.96Å; R169-H203 PolarHBondContact NH1-O 3.48Å; C199-H203 PolarHBondContact O-N 3.42Å; K200-H203 PolarHBondContact O-N 3.03Å
204	F	98.9	Very high	98.7	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.026	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-115.2	108.4	176.7	-169.6	-79.2	0	0	0	108.7	V156 E162 V165 L166 C199 L202 I207	V156-F204 HydrophobicContact CB-CD2 3.84Å; V156-F204 HydrophobicContact CB-CE2 4.39Å; V156-F204 HydrophobicContact CB-CG 4.5Å; V156-F204 HydrophobicContact CG1-CD2 3.54Å; V156-F204 HydrophobicContact CG1-CE2 3.59Å; V156-F204 HydrophobicContact CG1-CG 4.49Å; E162-F204 HydrophobicContact CB-CE2 4Å; E162-F204 HydrophobicContact CB-CZ 3.97Å; V165-F204 HydrophobicContact CB-CE2 4.23Å; V165-F204 HydrophobicContact CG1-CD2 4.28Å; V165-F204 HydrophobicContact CG1-CE2 4.38Å; L166-F204 HydrophobicContact CD1-CD1 4.01Å; L166-F204 HydrophobicContact CD1-CD2 4.45Å; L166-F204 HydrophobicContact CD1-CE1 4.01Å; L166-F204 HydrophobicContact CD1-CE2 4.45Å; L166-F204 HydrophobicContact CD1-CG 4.23Å; L166-F204 HydrophobicContact CD1-CZ 4.24Å; L166-F204 HydrophobicContact CD2-CB 3.69Å; L166-F204 HydrophobicContact CD2-CD1 4.19Å; L166-F204 HydrophobicContact CD2-CD2 4.06Å; L166-F204 HydrophobicContact CD2-CG 3.71Å; L166-F204 HydrophobicContact CG-CB 4.37Å; L166-F204 HydrophobicContact CG-CD1 4.15Å; L166-F204 HydrophobicContact CG-CD2 3.81Å; L166-F204 HydrophobicContact CG-CE1 4.4Å; L166-F204 HydrophobicContact CG-CE2 4.09Å; L166-F204 HydrophobicContact CG-CG 3.85Å; L166-F204 HydrophobicContact CG-CZ 4.38Å; C199-F204 CarbonylContact C-O 3.18Å; C199-F204 PolarHBondContact N-O 3.46Å; C199-F204 PolarHBondContact O-N 3.2Å; L202-F204 PolarHBondContact O-N 3.46Å; F204-I207 HydrophobicContact CE1-CD1 3.92Å; F204-I207 HydrophobicContact CE1-CG1 3.95Å; F204-I207 HydrophobicContact CZ-CD1 4.05Å; F204-I207 HydrophobicContact CZ-CG1 4.4Å
205	V	98.9	Very high	98.7	Very high	45 Å²	45	43.5 Å²	43.5	27%	0.273	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.6	141.2	-179	-178.6	0	0	0	0	109.4	L155 V156 F157 I207	L155-V205 HydrophobicContact CD1-CG2 3.76Å; L155-V205 HydrophobicContact CD2-CG2 4.35Å; L155-V205 HydrophobicContact CG-CG2 4.08Å; V156-V205 PolarHBondContact O-N 3.32Å; F157-V205 HydrophobicContact CD1-CB 3.91Å; F157-V205 HydrophobicContact CD1-CG1 3.91Å; F157-V205 HydrophobicContact CD1-CG2 4.08Å; F157-V205 HydrophobicContact CD2-CG2 4.1Å; F157-V205 HydrophobicContact CE1-CB 3.99Å; F157-V205 HydrophobicContact CE1-CG1 3.7Å; F157-V205 HydrophobicContact CE1-CG2 3.83Å; F157-V205 HydrophobicContact CE2-CG2 3.83Å; F157-V205 HydrophobicContact CG-CB 4.28Å; F157-V205 HydrophobicContact CG-CG2 4.24Å; F157-V205 HydrophobicContact CZ-CB 4.38Å; F157-V205 HydrophobicContact CZ-CG1 4.36Å; F157-V205 HydrophobicContact CZ-CG2 3.71Å; V205-I207 PolarHBondContact O-N 3.37Å
206	T	98.9	Very high	98.8	Very high	83 Å²	83	45.3 Å²	45.3	51%	0.509	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-64	131.5	-175.1	-56	0	0	0	0	110.6	Q192 Y197	Q192-T206 VanDerWaalsContact NE2-CG2 3.28Å; Y197-T206 WeakPolarHBondContact O-CA 3.38Å
207	I	98.9	Very high	98.8	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.6	146.2	177.5	-64.6	-55.7	0	0	0	111.3	G158 Q159 Q192 H196 Y197 F204 V205	G158-I207 WeakPolarHBondContact O-CD1 3.48Å; Q159-I207 WeakPolarHBondContact O-CG2 3.46Å; Q192-I207 PolarHBondContact NE2-O 3.49Å; H196-I207 HydrophobicContact CB-CB 4.33Å; H196-I207 HydrophobicContact CB-CG2 4.38Å; Y197-I207 WeakPolarHBondContact O-CG1 3.35Å; Y197-I207 PolarHBondContact O-N 2.61Å; F204-I207 HydrophobicContact CE1-CD1 3.92Å; F204-I207 HydrophobicContact CE1-CG1 3.95Å; F204-I207 HydrophobicContact CZ-CD1 4.05Å; F204-I207 HydrophobicContact CZ-CG1 4.4Å; V205-I207 PolarHBondContact O-N 3.37Å
208	S	98.8	Very high	98.8	Very high	45 Å²	45	49.1 Å²	49.1	32%	0.315	27%	0.274	S	S	.	.			trans	-131.3	150.7	168.5	80.9	0	0	0	0	110.2
209	S	98.6	Very high	98.8	Very high	71 Å²	71	48.4 Å²	48.4	50%	0.497	27%	0.266	S	S	.	.	S	Bend	trans	-67.5	-39.3	-177.9	175.5	0	0	0	0	114.6	L211	S209-L211 PolarHBondContact O-N 3.13Å; S209-L211 VanDerWaalsContact O-N 3.12Å
210	P	98.8	Very high	98.8	Very high	78 Å²	78	49.9 Å²	49.9	51%	0.506	28%	0.283	S	S	.	.	S	Bend	trans	-57.9	117.1	180	-28	37.5	0	0	0	112.4	T213	P210-T213 HydrophobicContact CB-CG2 3.69Å; P210-T213 PolarHBondContact O-OG1 3.21Å
211	L	98.8	Very high	98.8	Very high	59 Å²	59	42 Å²	42	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	147.6	-175.7	-64	-173.4	0	0	0	111.7	Q159 Y160 S209 T213 A242 E245	Q159-L211 HydrophobicContact CG-CD2 4.09Å; Y160-L211 HydrophobicContact CE1-CD2 3.65Å; S209-L211 PolarHBondContact O-N 3.13Å; S209-L211 VanDerWaalsContact O-N 3.12Å; L211-T213 PolarHBondContact O-N 2.9Å; L211-A242 HydrophobicContact CB-CB 4.19Å; L211-E245 HydrophobicContact CB-CG 4.11Å
212	A	98.8	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-11.2	174.8	0	0	0	0	0	117.1	Q214 I215 P216 E245 D247	A212-Q214 VanDerWaalsContact C-OE1 3.22Å; A212-Q214 VanDerWaalsContact CA-OE1 3.3Å; A212-Q214 PolarHBondContact O-N 3Å; A212-Q214 VanDerWaalsContact O-N 3.09Å; A212-I215 HydrophobicContact CB-CD1 3.76Å; A212-I215 HydrophobicContact CB-CG1 4.34Å; A212-I215 VanDerWaalsContact O-CB 3.25Å; A212-I215 WeakPolarHBondContact O-CB 3.26Å; A212-I215 VanDerWaalsContact O-CG1 3.31Å; A212-I215 WeakPolarHBondContact O-CG1 3.35Å; A212-I215 PolarHBondContact O-N 3.17Å; A212-P216 VanDerWaalsContact O-CD 3.29Å; A212-P216 WeakPolarHBondContact O-CD 3.25Å; A212-E245 HydrophobicContact CB-CB 3.49Å; A212-E245 VanDerWaalsContact CB-CB 3.49Å; A212-E245 HydrophobicContact CB-CG 3.88Å; A212-D247 HydrophobicContact CB-CB 3.97Å
213	T	98.9	Very high	98.8	Very high	31 Å²	31	38.1 Å²	38.1	19%	0.19	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.7	179.6	58.1	0	0	0	0	113.2	P210 L211 I215 P216 Q217 D247	P210-T213 HydrophobicContact CB-CG2 3.69Å; P210-T213 PolarHBondContact O-OG1 3.21Å; L211-T213 PolarHBondContact O-N 2.9Å; T213-I215 VanDerWaalsContact C-N 3.26Å; T213-I215 PolarHBondContact O-N 2.86Å; T213-P216 WeakPolarHBondContact O-CD 3.37Å; T213-Q217 WeakPolarHBondContact O-CG 3.38Å; T213-Q217 PolarHBondContact O-NE2 3.37Å; T213-D247 WeakPolarHBondContact CA-OD2 3.35Å
214	Q	98.9	Very high	98.8	Very high	10 Å²	10	37 Å²	37	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-21	176.7	81.5	-78.8	13.6	0	0	113.4	F157 G158 A212 Q217 A218 Y237	F157-Q214 HydrophobicContact CB-CB 4.19Å; F157-Q214 HydrophobicContact CB-CG 4.18Å; F157-Q214 HydrophobicContact CD1-CB 4.06Å; G158-Q214 WeakPolarHBondContact O-CG 3.4Å; A212-Q214 VanDerWaalsContact C-OE1 3.22Å; A212-Q214 VanDerWaalsContact CA-OE1 3.3Å; A212-Q214 PolarHBondContact O-N 3Å; A212-Q214 VanDerWaalsContact O-N 3.09Å; Q214-Q217 PolarHBondContact O-N 3.04Å; Q214-A218 VanDerWaalsContact O-CB 3.32Å; Q214-A218 WeakPolarHBondContact O-CB 3.48Å; Q214-A218 PolarHBondContact O-N 3.04Å; Q214-Y237 PolarHBondContact NE2-O 2.82Å
215	I	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-58.8	-175.7	-56.3	177.3	0	0	0	110.8	A212 T213 Q217 A218 V219 F238 A248 F252 F264	A212-I215 HydrophobicContact CB-CD1 3.76Å; A212-I215 HydrophobicContact CB-CG1 4.34Å; A212-I215 VanDerWaalsContact O-CB 3.25Å; A212-I215 WeakPolarHBondContact O-CB 3.26Å; A212-I215 VanDerWaalsContact O-CG1 3.31Å; A212-I215 WeakPolarHBondContact O-CG1 3.35Å; A212-I215 PolarHBondContact O-N 3.17Å; T213-I215 VanDerWaalsContact C-N 3.26Å; T213-I215 PolarHBondContact O-N 2.86Å; I215-Q217 VanDerWaalsContact C-N 3.27Å; I215-Q217 PolarHBondContact O-N 3.28Å; I215-A218 WeakPolarHBondContact O-CB 3.25Å; I215-A218 PolarHBondContact O-N 3.31Å; I215-V219 WeakPolarHBondContact O-CG2 3.47Å; I215-V219 PolarHBondContact O-N 2.87Å; I215-F238 HydrophobicContact CD1-CB 4.05Å; I215-F238 HydrophobicContact CD1-CD1 3.88Å; I215-F238 HydrophobicContact CD1-CD2 4.24Å; I215-F238 HydrophobicContact CD1-CE1 4.43Å; I215-F238 HydrophobicContact CD1-CG 3.79Å; I215-F238 HydrophobicContact CG1-CB 4.48Å; I215-F238 HydrophobicContact CG1-CD1 4.12Å; I215-F238 HydrophobicContact CG1-CG 4.39Å; I215-A248 HydrophobicContact CD1-CB 3.82Å; I215-F252 HydrophobicContact CG2-CE1 4.3Å; I215-F264 HydrophobicContact CG2-CD1 4.05Å; I215-F264 HydrophobicContact CG2-CE1 3.45Å; I215-F264 VanDerWaalsContact CG2-CE1 3.45Å; I215-F264 HydrophobicContact CG2-CZ 4.28Å
216	P	98.9	Very high	98.6	Very high	40 Å²	40	37.3 Å²	37.3	26%	0.26	23%	0.226	S	C	.	.	H	α-helix	trans	-67	-27.2	176.4	27	-34.7	0	0	0	112.8	A212 T213 V219 G220 D247	A212-P216 VanDerWaalsContact O-CD 3.29Å; A212-P216 WeakPolarHBondContact O-CD 3.25Å; T213-P216 WeakPolarHBondContact O-CD 3.37Å; P216-V219 WeakPolarHBondContact O-CB 3.45Å; P216-V219 PolarHBondContact O-N 2.61Å; P216-G220 PolarHBondContact O-N 3.04Å; P216-G220 VanDerWaalsContact O-N 3.1Å; P216-D247 HydrophobicContact CG-CB 4.07Å
217	Q	98.9	Very high	98.5	Very high	103 Å²	103	42 Å²	42	48%	0.481	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-42.9	173.7	-65.7	168.3	13.6	0	0	111.6	F157 T213 Q214 I215 V219 G220 A221	F157-Q217 HydrophobicContact CD1-CB 4.43Å; F157-Q217 HydrophobicContact CE1-CB 3.86Å; F157-Q217 HydrophobicContact CZ-CB 4.48Å; T213-Q217 WeakPolarHBondContact O-CG 3.38Å; T213-Q217 PolarHBondContact O-NE2 3.37Å; Q214-Q217 PolarHBondContact O-N 3.04Å; I215-Q217 VanDerWaalsContact C-N 3.27Å; I215-Q217 PolarHBondContact O-N 3.28Å; Q217-V219 VanDerWaalsContact C-N 3.26Å; Q217-V219 PolarHBondContact O-N 3.44Å; Q217-G220 PolarHBondContact O-N 3.37Å; Q217-A221 PolarHBondContact O-N 2.89Å
218	A	98.9	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-35.5	175.4	0	0	0	0	0	112	F157 Q214 I215 A221 A222 V234 C236 L262	F157-A218 HydrophobicContact CB-CB 4.13Å; F157-A218 HydrophobicContact CD1-CB 4.47Å; F157-A218 HydrophobicContact CD2-CB 3.65Å; F157-A218 HydrophobicContact CE2-CB 4.09Å; F157-A218 HydrophobicContact CG-CB 3.85Å; Q214-A218 VanDerWaalsContact O-CB 3.32Å; Q214-A218 WeakPolarHBondContact O-CB 3.48Å; Q214-A218 PolarHBondContact O-N 3.04Å; I215-A218 WeakPolarHBondContact O-CB 3.25Å; I215-A218 PolarHBondContact O-N 3.31Å; A218-A221 PolarHBondContact O-N 3.14Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 3.45Å; A218-V234 HydrophobicContact CB-CG1 3.82Å; A218-C236 HydrophobicContact CB-CB 3.66Å; A218-L262 HydrophobicContact CB-CD1 4.06Å
219	V	98.9	Very high	97.9	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-48.2	172.8	-175.2	0	0	0	0	111.5	I215 P216 Q217 A221 A222 Y223 G251 F254 C260 L262 F264	I215-V219 WeakPolarHBondContact O-CG2 3.47Å; I215-V219 PolarHBondContact O-N 2.87Å; P216-V219 WeakPolarHBondContact O-CB 3.45Å; P216-V219 PolarHBondContact O-N 2.61Å; Q217-V219 VanDerWaalsContact C-N 3.26Å; Q217-V219 PolarHBondContact O-N 3.44Å; V219-A221 VanDerWaalsContact C-N 3.3Å; V219-A221 PolarHBondContact O-N 3.33Å; V219-A222 PolarHBondContact O-N 2.86Å; V219-Y223 WeakPolarHBondContact O-CB 3.49Å; V219-Y223 PolarHBondContact O-N 3.45Å; V219-G251 VanDerWaalsContact CG2-O 3.32Å; V219-G251 WeakPolarHBondContact CG2-O 3.34Å; V219-F254 HydrophobicContact CG1-CB 3.93Å; V219-C260 HydrophobicContact CG1-CB 4.44Å; V219-L262 HydrophobicContact CB-CD2 4.34Å; V219-L262 HydrophobicContact CG2-CD2 3.61Å; V219-F264 HydrophobicContact CG2-CE1 4.47Å; V219-F264 HydrophobicContact CG2-CZ 4.01Å
220	G	98.8	Very high	97.2	Very high	44 Å²	44	52 Å²	52	45%	0.454	27%	0.274	S	S	.	.	H	α-helix	trans	-58.8	-42.2	176.8	0	0	0	0	0	112.5	P216 Q217 Y223 A224	P216-G220 PolarHBondContact O-N 3.04Å; P216-G220 VanDerWaalsContact O-N 3.1Å; Q217-G220 PolarHBondContact O-N 3.37Å; G220-Y223 PolarHBondContact O-N 2.94Å; G220-A224 PolarHBondContact O-N 3.34Å
221	A	98.8	Very high	96.9	Very high	22 Å²	22	54.2 Å²	54.2	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-43.9	175	0	0	0	0	0	112.2	L155 F157 Q217 A218 V219 Y223 A224 L225 V234	L155-A221 HydrophobicContact CD2-CB 3.91Å; F157-A221 HydrophobicContact CE2-CB 3.8Å; F157-A221 HydrophobicContact CZ-CB 3.95Å; Q217-A221 PolarHBondContact O-N 2.89Å; A218-A221 PolarHBondContact O-N 3.14Å; V219-A221 VanDerWaalsContact C-N 3.3Å; V219-A221 PolarHBondContact O-N 3.33Å; A221-Y223 VanDerWaalsContact C-N 3.34Å; A221-Y223 PolarHBondContact O-N 3.47Å; A221-A224 PolarHBondContact O-N 3.09Å; A221-L225 WeakPolarHBondContact O-CG 3.1Å; A221-L225 PolarHBondContact O-N 2.95Å; A221-V234 HydrophobicContact CB-CG2 4.32Å
222	A	98.8	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-41.8	177.2	0	0	0	0	0	111.5	A218 V219 A224 L225 K226 V234 C260 P261 L262	A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 3.45Å; V219-A222 PolarHBondContact O-N 2.86Å; A222-A224 VanDerWaalsContact C-N 3.34Å; A222-A224 PolarHBondContact O-N 3.03Å; A222-L225 PolarHBondContact O-N 3.49Å; A222-K226 PolarHBondContact O-N 2.96Å; A222-V234 HydrophobicContact CB-CB 4.06Å; A222-V234 HydrophobicContact CB-CG2 3.74Å; A222-C260 HydrophobicContact CB-CB 3.87Å; A222-P261 HydrophobicContact CB-CG 4.43Å; A222-P261 WeakPolarHBondContact O-CD 3.32Å; A222-L262 HydrophobicContact CB-CB 4.02Å
223	Y	98.7	Very high	96.6	Very high	91 Å²	91	53.5 Å²	53.5	36%	0.357	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175.4	-172.9	-102.2	0	0	0	112.1	V219 G220 A221 K226 R227 L258	V219-Y223 WeakPolarHBondContact O-CB 3.49Å; V219-Y223 PolarHBondContact O-N 3.45Å; G220-Y223 PolarHBondContact O-N 2.94Å; A221-Y223 VanDerWaalsContact C-N 3.34Å; A221-Y223 PolarHBondContact O-N 3.47Å; Y223-K226 PolarHBondContact O-N 3.34Å; Y223-R227 VanDerWaalsContact CE1-CD 3.47Å; Y223-R227 HydrophobicContact CE1-CG 4.2Å; Y223-R227 WeakPolarHBondContact O-CG 3.35Å; Y223-R227 PolarHBondContact O-N 3.5Å; Y223-R227 VanDerWaalsContact O-N 3.13Å; Y223-L258 HydrophobicContact CD2-CB 3.91Å; Y223-L258 HydrophobicContact CE2-CB 4.12Å
224	A	98.4	Very high	96.6	Very high	40 Å²	40	52 Å²	52	33%	0.331	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-47.6	174.3	0	0	0	0	0	111.8	G220 A221 A222 K226 R227 E228	G220-A224 PolarHBondContact O-N 3.34Å; A221-A224 PolarHBondContact O-N 3.09Å; A222-A224 VanDerWaalsContact C-N 3.34Å; A222-A224 PolarHBondContact O-N 3.03Å; A224-K226 VanDerWaalsContact C-N 3.3Å; A224-K226 PolarHBondContact O-N 3.38Å; A224-R227 PolarHBondContact O-N 2.89Å; A224-R227 VanDerWaalsContact O-N 3.1Å; A224-E228 WeakPolarHBondContact O-CG 3.43Å; A224-E228 PolarHBondContact O-N 3.34Å
225	L	95.7	Very high	96.6	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-36.7	178.1	-68.1	175.7	0	0	0	112.9	A221 A222 E228 N229 M230 R232 V234	A221-L225 WeakPolarHBondContact O-CG 3.1Å; A221-L225 PolarHBondContact O-N 2.95Å; A222-L225 PolarHBondContact O-N 3.49Å; L225-E228 PolarHBondContact O-N 2.76Å; L225-N229 PolarHBondContact O-N 2.61Å; L225-M230 HydrophobicContact CD2-CB 4.16Å; L225-M230 HydrophobicContact CD2-CG 4.31Å; L225-M230 HydrophobicContact CD2-SD 3.56Å; L225-M230 VanDerWaalsContact CD2-SD 3.56Å; L225-M230 PolarHBondContact O-N 3.15Å; L225-R232 HydrophobicContact CD1-CB 4.08Å; L225-V234 HydrophobicContact CD1-CG2 3.72Å
226	K	97	Very high	96.7	Very high	40 Å²	40	51.5 Å²	51.5	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-50.7	171.7	177.6	174.8	71.8	172.2	0	111	A222 Y223 A224 E228 N229 L258 E259 P261 N323	A222-K226 PolarHBondContact O-N 2.96Å; Y223-K226 PolarHBondContact O-N 3.34Å; A224-K226 VanDerWaalsContact C-N 3.3Å; A224-K226 PolarHBondContact O-N 3.38Å; K226-E228 PolarHBondContact O-N 3.41Å; K226-N229 PolarHBondContact O-N 3.29Å; K226-L258 PolarHBondContact NZ-O 2.81Å; K226-E259 VanDerWaalsContact CD-O 3.24Å; K226-E259 WeakPolarHBondContact CD-O 3.25Å; K226-E259 VanDerWaalsContact CE-O 3.32Å; K226-E259 WeakPolarHBondContact CE-O 3.1Å; K226-E259 PolarHBondContact NZ-O 2.76Å; K226-P261 HydrophobicContact CB-CG 4.24Å; K226-N323 HydrophobicContact CD-CB 3.88Å; K226-N323 WeakPolarHBondContact CD-OD1 3.31Å; K226-N323 WeakPolarHBondContact CG-OD1 3.36Å
227	R	97.6	Very high	96.7	Very high	182 Å²	182	49.6 Å²	49.6	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-62.7	-30.5	-179.4	-72.5	-175.9	63.2	-133.1	-2.8	112.9	Y223 A224 N229	Y223-R227 VanDerWaalsContact CE1-CD 3.47Å; Y223-R227 HydrophobicContact CE1-CG 4.2Å; Y223-R227 WeakPolarHBondContact O-CG 3.35Å; Y223-R227 PolarHBondContact O-N 3.5Å; Y223-R227 VanDerWaalsContact O-N 3.13Å; A224-R227 PolarHBondContact O-N 2.89Å; A224-R227 VanDerWaalsContact O-N 3.1Å; R227-N229 VanDerWaalsContact C-N 3.31Å
228	E	95.7	Very high	96.7	Very high	119 Å²	119	44.7 Å²	44.7	56%	0.556	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	0.2	177.5	-67.4	178.3	173.9	0	0	113.4	A224 L225 K226 M230	A224-E228 WeakPolarHBondContact O-CG 3.43Å; A224-E228 PolarHBondContact O-N 3.34Å; L225-E228 PolarHBondContact O-N 2.76Å; K226-E228 PolarHBondContact O-N 3.41Å; E228-M230 HydrophobicContact CB-CE 4.07Å; E228-M230 HydrophobicContact CB-CG 3.76Å; E228-M230 HydrophobicContact CB-SD 4.39Å; E228-M230 PolarHBondContact O-N 3.19Å; E228-M230 WeakPolarHBondContact OE2-CE 3.2Å
229	N	89.8	Confident	96.7	Very high	133 Å²	133	45 Å²	45	71%	0.711	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.4	-177.9	-62.4	-51.4	0	0	0	113.5	L225 K226 R227 N231	L225-N229 PolarHBondContact O-N 2.61Å; K226-N229 PolarHBondContact O-N 3.29Å; R227-N229 VanDerWaalsContact C-N 3.31Å; N229-N231 VanDerWaalsContact C-N 3.27Å; N229-N231 PolarHBondContact O-N 2.79Å
230	M	82.8	Confident	96.7	Very high	81 Å²	81	45 Å²	45	40%	0.399	23%	0.23	S	C	.	.			trans	-78.2	1.3	-170.8	-73.5	-163.8	173.1	0	0	115.3	L225 E228 R232	L225-M230 HydrophobicContact CD2-CB 4.16Å; L225-M230 HydrophobicContact CD2-CG 4.31Å; L225-M230 HydrophobicContact CD2-SD 3.56Å; L225-M230 VanDerWaalsContact CD2-SD 3.56Å; L225-M230 PolarHBondContact O-N 3.15Å; E228-M230 HydrophobicContact CB-CE 4.07Å; E228-M230 HydrophobicContact CB-CG 3.76Å; E228-M230 HydrophobicContact CB-SD 4.39Å; E228-M230 PolarHBondContact O-N 3.19Å; E228-M230 WeakPolarHBondContact OE2-CE 3.2Å; M230-R232 HydrophobicContact CB-CB 4.37Å; M230-R232 HydrophobicContact CB-CG 4.33Å; M230-R232 WeakPolarHBondContact O-CG 3.33Å; M230-R232 PolarHBondContact O-N 3.09Å
231	N	92.6	Very high	96.6	Very high	124 Å²	124	43.6 Å²	43.6	66%	0.663	22%	0.216	S	C	*	.			trans	46	36.2	-175.9	-69.7	-23.7	0	0	0	113.7	N229 R316 V320	N229-N231 VanDerWaalsContact C-N 3.27Å; N229-N231 PolarHBondContact O-N 2.79Å; N231-R316 PolarHBondContact O-NH2 3.33Å; N231-V320 HydrophobicContact CB-CG1 4.17Å
232	R	95.5	Very high	96.6	Very high	43 Å²	43	42.6 Å²	42.6	16%	0.162	21%	0.207	C	C	.	.			trans	-118.1	143	-176.9	-77.7	166.5	74.9	-163.7	3.6	110	N153 L225 M230	N153-R232 PolarHBondContact O-NE 3.24Å; N153-R232 PolarHBondContact O-NH2 2.77Å; L225-R232 HydrophobicContact CD1-CB 4.08Å; M230-R232 HydrophobicContact CB-CB 4.37Å; M230-R232 HydrophobicContact CB-CG 4.33Å; M230-R232 WeakPolarHBondContact O-CG 3.33Å; M230-R232 PolarHBondContact O-N 3.09Å
233	A	97	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.			trans	-94.4	157.2	170.4	0	0	0	0	0	110.6	D154 L155 R316 V320	D154-A233 WeakPolarHBondContact CA-O 3.37Å; D154-A233 WeakPolarHBondContact CB-O 3.43Å; D154-A233 PolarHBondContact OD1-N 2.93Å; L155-A233 PolarHBondContact N-O 2.8Å; L155-A233 VanDerWaalsContact N-O 3.1Å; A233-R316 HydrophobicContact CB-CG 4Å; A233-V320 HydrophobicContact CB-CG2 3.83Å
234	V	98.9	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.7	158	179.7	0	0	0	0	107.9	L155 F157 A218 A221 A222 L225 P261 L262 I263	L155-V234 HydrophobicContact CB-CG2 4.27Å; L155-V234 WeakPolarHBondContact O-CA 3.29Å; F157-V234 HydrophobicContact CD2-CG1 3.77Å; F157-V234 HydrophobicContact CE2-CG1 4.07Å; A218-V234 HydrophobicContact CB-CG1 3.82Å; A221-V234 HydrophobicContact CB-CG2 4.32Å; A222-V234 HydrophobicContact CB-CB 4.06Å; A222-V234 HydrophobicContact CB-CG2 3.74Å; L225-V234 HydrophobicContact CD1-CG2 3.72Å; V234-P261 PolarHBondContact N-O 2.92Å; V234-P261 VanDerWaalsContact N-O 3.13Å; V234-L262 HydrophobicContact CB-CD1 3.62Å; V234-L262 HydrophobicContact CG1-CD1 3.55Å; V234-L262 WeakPolarHBondContact O-CA 3.24Å; V234-L262 WeakPolarHBondContact O-CD1 3.2Å; V234-I263 PolarHBondContact O-N 2.96Å
235	I	98.9	Very high	96.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137	164.8	-172.2	159.7	0	0	0	109.4	L150 L155 V156 F157 Y237 I263 F265 T312	L150-I235 HydrophobicContact CD1-CB 4.32Å; L150-I235 HydrophobicContact CD1-CD1 4.28Å; L150-I235 HydrophobicContact CD1-CG2 3.57Å; L150-I235 HydrophobicContact CD2-CB 4.42Å; L150-I235 HydrophobicContact CD2-CD1 4.36Å; L150-I235 HydrophobicContact CD2-CG2 4.47Å; L155-I235 PolarHBondContact O-N 3.47Å; V156-I235 HydrophobicContact CB-CG2 4.18Å; V156-I235 HydrophobicContact CG1-CG2 4.23Å; V156-I235 HydrophobicContact CG2-CG2 3.69Å; F157-I235 PolarHBondContact N-O 2.97Å; I235-Y237 HydrophobicContact CB-CE2 4.39Å; I235-Y237 HydrophobicContact CD1-CE1 4.23Å; I235-Y237 HydrophobicContact CD1-CE2 4Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.26Å; I235-Y237 HydrophobicContact CG1-CD2 4.33Å; I235-Y237 HydrophobicContact CG1-CE2 3.81Å; I235-Y237 HydrophobicContact CG2-CE2 3.73Å; I235-I263 CarbonylContact C-O 3.59Å; I235-I263 WeakPolarHBondContact CA-O 3.08Å; I235-I263 HydrophobicContact CB-CB 4.39Å; I235-I263 HydrophobicContact CD1-CB 4.38Å; I235-I263 HydrophobicContact CD1-CG2 4.26Å; I235-I263 HydrophobicContact CG1-CB 4.11Å; I235-I263 HydrophobicContact CG1-CG2 4.35Å; I235-F265 HydrophobicContact CD1-CB 4.14Å; I235-F265 HydrophobicContact CD1-CD2 4.16Å; I235-F265 HydrophobicContact CD1-CG 4.48Å; I235-F265 HydrophobicContact CG1-CB 4.16Å; I235-T312 HydrophobicContact CD1-CG2 4.2Å
236	C	99	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113	179.7	-177.3	0	0	0	0	110.4	F157 A218 L262 I263 F264 F265	F157-C236 HydrophobicContact CB-CB 4.44Å; F157-C236 WeakPolarHBondContact O-CA 3.47Å; A218-C236 HydrophobicContact CB-CB 3.66Å; C236-L262 HydrophobicContact CB-CD1 4.21Å; C236-I263 PolarHBondContact N-O 2.98Å; C236-F264 HydrophobicContact CB-CD1 4.16Å; C236-F265 PolarHBondContact O-N 3.42Å
237	Y	99	Very high	96.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	143.5	177.2	-59.8	-96.9	0	0	0	111.8	S146 V156 F157 E162 V165 Q214 I235 F265	S146-Y237 WeakPolarHBondContact CB-OH 3.35Å; S146-Y237 PolarHBondContact OG-OH 3.25Å; V156-Y237 HydrophobicContact CG1-CD2 4.02Å; V156-Y237 HydrophobicContact CG1-CE2 3.78Å; F157-Y237 WeakPolarHBondContact O-CD2 3.24Å; F157-Y237 PolarHBondContact O-N 3.45Å; E162-Y237 HydrophobicContact CG-CD1 4.09Å; E162-Y237 HydrophobicContact CG-CD2 3.78Å; E162-Y237 HydrophobicContact CG-CG 3.54Å; E162-Y237 WeakPolarHBondContact OE1-CB 3.49Å; V165-Y237 HydrophobicContact CG2-CE2 4.08Å; Q214-Y237 PolarHBondContact NE2-O 2.82Å; I235-Y237 HydrophobicContact CB-CE2 4.39Å; I235-Y237 HydrophobicContact CD1-CE1 4.23Å; I235-Y237 HydrophobicContact CD1-CE2 4Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.26Å; I235-Y237 HydrophobicContact CG1-CD2 4.33Å; I235-Y237 HydrophobicContact CG1-CE2 3.81Å; I235-Y237 HydrophobicContact CG2-CE2 3.73Å; Y237-F265 WeakPolarHBondContact CA-O 3.4Å; Y237-F265 HydrophobicContact CD1-CB 3.73Å; Y237-F265 AromaticContact CD1-CD1 3.56Å; Y237-F265 HydrophobicContact CD1-CD1 3.56Å; Y237-F265 HydrophobicContact CD1-CE1 4.38Å; Y237-F265 AromaticContact CD1-CG 3.75Å; Y237-F265 HydrophobicContact CD1-CG 3.75Å; Y237-F265 HydrophobicContact CE1-CB 3.92Å; Y237-F265 AromaticContact CE1-CD1 3.7Å; Y237-F265 HydrophobicContact CE1-CD1 3.7Å; Y237-F265 HydrophobicContact CE1-CD2 4.19Å; Y237-F265 HydrophobicContact CE1-CE1 4.27Å; Y237-F265 AromaticContact CE1-CG 3.66Å; Y237-F265 HydrophobicContact CE1-CG 3.66Å; Y237-F265 HydrophobicContact CG-CB 4.31Å
238	F	98.9	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	156.3	172.5	54.7	-84	0	0	0	110.5	I215 A242 A243 F252 F264 F265 C266 R267 I286 L327	I215-F238 HydrophobicContact CD1-CB 4.05Å; I215-F238 HydrophobicContact CD1-CD1 3.88Å; I215-F238 HydrophobicContact CD1-CD2 4.24Å; I215-F238 HydrophobicContact CD1-CE1 4.43Å; I215-F238 HydrophobicContact CD1-CG 3.79Å; I215-F238 HydrophobicContact CG1-CB 4.48Å; I215-F238 HydrophobicContact CG1-CD1 4.12Å; I215-F238 HydrophobicContact CG1-CG 4.39Å; F238-A242 HydrophobicContact CB-CB 4.28Å; F238-A243 HydrophobicContact CD2-CB 4.05Å; F238-A243 HydrophobicContact CE2-CB 3.92Å; F238-F252 HydrophobicContact CE1-CE1 4.13Å; F238-F252 HydrophobicContact CE1-CZ 4.38Å; F238-F252 HydrophobicContact CE2-CE1 4.41Å; F238-F252 AromaticContact CE2-CZ 3.84Å; F238-F252 HydrophobicContact CE2-CZ 3.84Å; F238-F252 AromaticContact CZ-CE1 3.68Å; F238-F252 HydrophobicContact CZ-CE1 3.68Å; F238-F252 AromaticContact CZ-CZ 3.53Å; F238-F252 HydrophobicContact CZ-CZ 3.53Å; F238-F264 HydrophobicContact CE1-CB 3.76Å; F238-F264 AromaticContact CE1-CD1 3.91Å; F238-F264 HydrophobicContact CE1-CD1 3.91Å; F238-F264 HydrophobicContact CE1-CG 4.22Å; F238-F264 HydrophobicContact CZ-CB 4.06Å; F238-F265 PolarHBondContact N-O 3.37Å; F238-F265 VanDerWaalsContact N-O 3.14Å; F238-C266 HydrophobicContact CD2-CB 4.23Å; F238-C266 HydrophobicContact CE2-CB 3.58Å; F238-C266 HydrophobicContact CZ-CB 3.84Å; F238-C266 CarbonylContact O-C 3.55Å; F238-C266 VanDerWaalsContact O-CA 3.28Å; F238-C266 WeakPolarHBondContact O-CA 3.48Å; F238-R267 PolarHBondContact O-N 3.39Å; F238-I286 HydrophobicContact CE2-CG2 4.32Å; F238-L327 HydrophobicContact CZ-CD1 4.17Å
239	G	98.9	Very high	97.1	Very high	6 Å²	6	37.3 Å²	37.3	6%	0.062	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	163.4	172.3	0	0	0	0	0	112.8	G241 A242 A243 R267	G239-G241 PolarHBondContact O-N 3.48Å; G239-A242 PolarHBondContact O-N 2.99Å; G239-A242 VanDerWaalsContact O-N 3.07Å; G239-A243 PolarHBondContact O-N 2.99Å; G239-A243 VanDerWaalsContact O-N 3.14Å; G239-R267 WeakPolarHBondContact CA-O 3.27Å
240	E	98.9	Very high	97.6	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.5	179.2	82.5	-59.2	149.9	0	0	113.1	A243 R267 N268 N269 Y271 A272 T277 Y281 I286	E240-A243 WeakPolarHBondContact O-CB 3.26Å; E240-A243 PolarHBondContact O-N 3.14Å; E240-R267 PolarHBondContact N-O 3.03Å; E240-N268 HydrophobicContact CB-CB 4.12Å; E240-N269 PolarHBondContact OE2-N 2.84Å; E240-Y271 PolarHBondContact OE1-N 2.86Å; E240-A272 PolarHBondContact OE1-N 2.84Å; E240-T277 HydrophobicContact CG-CG2 3.76Å; E240-Y281 HydrophobicContact CB-CE1 4.22Å; E240-Y281 HydrophobicContact CG-CE1 4.09Å; E240-I286 HydrophobicContact CB-CD1 4.39Å; E240-I286 HydrophobicContact CB-CG1 4.03Å
241	G	98.8	Very high	98.3	Very high	14 Å²	14	28.6 Å²	28.6	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-40.8	171.9	0	0	0	0	0	113.6	G239 A243 S244	G239-G241 PolarHBondContact O-N 3.48Å; G241-A243 PolarHBondContact O-N 2.93Å; G241-S244 WeakPolarHBondContact O-CB 3.18Å; G241-S244 PolarHBondContact O-N 3.33Å; G241-S244 VanDerWaalsContact O-N 3.16Å
242	A	98.8	Very high	98.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-67.9	-23.9	176	0	0	0	0	0	111.9	L211 F238 G239 S244 E245	L211-A242 HydrophobicContact CB-CB 4.19Å; F238-A242 HydrophobicContact CB-CB 4.28Å; G239-A242 PolarHBondContact O-N 2.99Å; G239-A242 VanDerWaalsContact O-N 3.07Å; A242-S244 PolarHBondContact O-N 2.81Å; A242-S244 VanDerWaalsContact O-N 3.16Å; A242-E245 WeakPolarHBondContact O-CB 3.31Å; A242-E245 PolarHBondContact O-N 2.74Å; A242-E245 VanDerWaalsContact O-N 3.1Å
243	A	98.8	Very high	98.8	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.033	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-67.7	-8.2	174.5	0	0	0	0	0	113.8	F238 G239 E240 G241 I286 R289	F238-A243 HydrophobicContact CD2-CB 4.05Å; F238-A243 HydrophobicContact CE2-CB 3.92Å; G239-A243 PolarHBondContact O-N 2.99Å; G239-A243 VanDerWaalsContact O-N 3.14Å; E240-A243 WeakPolarHBondContact O-CB 3.26Å; E240-A243 PolarHBondContact O-N 3.14Å; G241-A243 PolarHBondContact O-N 2.93Å; A243-I286 HydrophobicContact CB-CD1 3.66Å; A243-I286 HydrophobicContact CB-CG1 4.11Å; A243-I286 HydrophobicContact CB-CG2 4.29Å; A243-R289 PolarHBondContact O-NH1 3.27Å
244	S	98.8	Very high	98.9	Very high	57 Å²	57	29.3 Å²	29.3	40%	0.399	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-87.7	-10.2	172.2	-64.3	0	0	0	0	113.4	G241 A242 Q280	G241-S244 WeakPolarHBondContact O-CB 3.18Å; G241-S244 PolarHBondContact O-N 3.33Å; G241-S244 VanDerWaalsContact O-N 3.16Å; A242-S244 PolarHBondContact O-N 2.81Å; A242-S244 VanDerWaalsContact O-N 3.16Å; S244-Q280 VanDerWaalsContact CB-OE1 3.31Å; S244-Q280 PolarHBondContact OG-OE1 3.17Å
245	E	98.9	Very high	98.9	Very high	93 Å²	93	29.3 Å²	29.3	44%	0.435	17%	0.171	S	C	.	.	S	Bend	trans	-70.4	149.9	174.2	-66.7	-71.9	-174.4	0	0	111.6	L211 A212 A242 D247 A248	L211-E245 HydrophobicContact CB-CG 4.11Å; A212-E245 HydrophobicContact CB-CB 3.49Å; A212-E245 VanDerWaalsContact CB-CB 3.49Å; A212-E245 HydrophobicContact CB-CG 3.88Å; A242-E245 WeakPolarHBondContact O-CB 3.31Å; A242-E245 PolarHBondContact O-N 2.74Å; A242-E245 VanDerWaalsContact O-N 3.1Å; E245-D247 PolarHBondContact O-N 3.31Å; E245-A248 WeakPolarHBondContact O-CB 3.49Å; E245-A248 PolarHBondContact O-N 2.76Å; E245-A248 VanDerWaalsContact O-N 3.09Å
246	G	98.8	Very high	98.9	Very high	53 Å²	53	30.4 Å²	30.4	55%	0.546	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-31.7	178.2	0	0	0	0	0	113.5	A248 H249 A250	G246-A248 VanDerWaalsContact C-N 3.25Å; G246-A248 PolarHBondContact O-N 2.93Å; G246-H249 WeakPolarHBondContact O-CB 3.17Å; G246-H249 PolarHBondContact O-N 2.68Å; G246-A250 PolarHBondContact O-N 3.19Å
247	D	98.9	Very high	98.9	Very high	64 Å²	64	34.8 Å²	34.8	34%	0.342	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-28.3	177.8	-79.9	-5.7	0	0	0	112.7	A212 T213 P216 E245 A250 G251	A212-D247 HydrophobicContact CB-CB 3.97Å; T213-D247 WeakPolarHBondContact CA-OD2 3.35Å; P216-D247 HydrophobicContact CG-CB 4.07Å; E245-D247 PolarHBondContact O-N 3.31Å; D247-A250 PolarHBondContact O-N 3.49Å; D247-G251 PolarHBondContact O-N 3.28Å
248	A	98.9	Very high	98.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-46.7	173.6	0	0	0	0	0	111	I215 E245 G246 A250 G251 F252	I215-A248 HydrophobicContact CD1-CB 3.82Å; E245-A248 WeakPolarHBondContact O-CB 3.49Å; E245-A248 PolarHBondContact O-N 2.76Å; E245-A248 VanDerWaalsContact O-N 3.09Å; G246-A248 VanDerWaalsContact C-N 3.25Å; G246-A248 PolarHBondContact O-N 2.93Å; A248-A250 PolarHBondContact O-N 3.4Å; A248-G251 PolarHBondContact O-N 3.33Å; A248-F252 HydrophobicContact CB-CE2 4.27Å; A248-F252 HydrophobicContact CB-CZ 4.28Å; A248-F252 WeakPolarHBondContact O-CB 3.49Å; A248-F252 WeakPolarHBondContact O-CD1 3.5Å; A248-F252 WeakPolarHBondContact O-CD2 3.24Å; A248-F252 WeakPolarHBondContact O-CG 3.48Å; A248-F252 PolarHBondContact O-N 3.05Å
249	H	98.9	Very high	98.8	Very high	106 Å²	106	43.7 Å²	43.7	49%	0.491	25%	0.25	S	S	.	.	H	α-helix	trans	-59.4	-46.3	174.5	172.1	75.3	0	0	0	111.7	G246 N253 Y293	G246-H249 WeakPolarHBondContact O-CB 3.17Å; G246-H249 PolarHBondContact O-N 2.68Å; H249-N253 WeakPolarHBondContact O-CB 3.39Å; H249-N253 PolarHBondContact O-N 2.67Å; H249-N253 VanDerWaalsContact O-N 3.09Å; H249-Y293 AromaticContact CE1-CE1 3.75Å; H249-Y293 AromaticContact ND1-CE1 3.44Å; H249-Y293 WeakPolarHBondContact ND1-CE1 3.42Å; H249-Y293 AromaticContact ND1-CZ 3.52Å; H249-Y293 PolarHBondContact ND1-OH 2.56Å
250	A	98.9	Very high	98.8	Very high	31 Å²	31	43.4 Å²	43.4	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-49.4	177.9	0	0	0	0	0	111.4	G246 D247 A248 N253 F254	G246-A250 PolarHBondContact O-N 3.19Å; D247-A250 PolarHBondContact O-N 3.49Å; A248-A250 PolarHBondContact O-N 3.4Å; A250-N253 PolarHBondContact O-N 2.67Å; A250-F254 WeakPolarHBondContact O-CB 3.44Å; A250-F254 VanDerWaalsContact O-CD2 3.24Å; A250-F254 WeakPolarHBondContact O-CD2 3.35Å; A250-F254 PolarHBondContact O-N 3.16Å
251	G	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-47	179.8	0	0	0	0	0	113.3	V219 D247 A248 N253 F254 S255	V219-G251 VanDerWaalsContact CG2-O 3.32Å; V219-G251 WeakPolarHBondContact CG2-O 3.34Å; D247-G251 PolarHBondContact O-N 3.28Å; A248-G251 PolarHBondContact O-N 3.33Å; G251-N253 PolarHBondContact O-N 2.76Å; G251-F254 PolarHBondContact O-N 3.3Å; G251-S255 WeakPolarHBondContact O-CB 3.39Å; G251-S255 PolarHBondContact O-N 2.96Å; G251-S255 PolarHBondContact O-OG 3.47Å
252	F	98.9	Very high	98.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-50.7	178.4	-62.8	-16.3	0	0	0	111.2	I215 F238 A248 S255 A256 F264 Y293 M295	I215-F252 HydrophobicContact CG2-CE1 4.3Å; F238-F252 HydrophobicContact CE1-CE1 4.13Å; F238-F252 HydrophobicContact CE1-CZ 4.38Å; F238-F252 HydrophobicContact CE2-CE1 4.41Å; F238-F252 AromaticContact CE2-CZ 3.84Å; F238-F252 HydrophobicContact CE2-CZ 3.84Å; F238-F252 AromaticContact CZ-CE1 3.68Å; F238-F252 HydrophobicContact CZ-CE1 3.68Å; F238-F252 AromaticContact CZ-CZ 3.53Å; F238-F252 HydrophobicContact CZ-CZ 3.53Å; A248-F252 HydrophobicContact CB-CE2 4.27Å; A248-F252 HydrophobicContact CB-CZ 4.28Å; A248-F252 WeakPolarHBondContact O-CB 3.49Å; A248-F252 WeakPolarHBondContact O-CD1 3.5Å; A248-F252 WeakPolarHBondContact O-CD2 3.24Å; A248-F252 WeakPolarHBondContact O-CG 3.48Å; A248-F252 PolarHBondContact O-N 3.05Å; F252-S255 PolarHBondContact O-N 3.11Å; F252-S255 PolarHBondContact O-OG 3.45Å; F252-A256 PolarHBondContact O-N 3.4Å; F252-F264 HydrophobicContact CD1-CD1 4.09Å; F252-F264 AromaticContact CD1-CD2 3.76Å; F252-F264 HydrophobicContact CD1-CD2 3.76Å; F252-F264 AromaticContact CD1-CE1 3.99Å; F252-F264 HydrophobicContact CD1-CE1 3.99Å; F252-F264 AromaticContact CD1-CE2 3.62Å; F252-F264 HydrophobicContact CD1-CE2 3.62Å; F252-F264 AromaticContact CD1-CG 3.98Å; F252-F264 HydrophobicContact CD1-CG 3.98Å; F252-F264 AromaticContact CD1-CZ 3.73Å; F252-F264 HydrophobicContact CD1-CZ 3.73Å; F252-F264 HydrophobicContact CE1-CB 4.29Å; F252-F264 AromaticContact CE1-CD1 3.83Å; F252-F264 HydrophobicContact CE1-CD1 3.83Å; F252-F264 HydrophobicContact CE1-CD2 4.01Å; F252-F264 HydrophobicContact CE1-CE1 4.11Å; F252-F264 HydrophobicContact CE1-CE2 4.27Å; F252-F264 AromaticContact CE1-CG 3.77Å; F252-F264 HydrophobicContact CE1-CG 3.77Å; F252-F264 HydrophobicContact CE1-CZ 4.3Å; F252-Y293 HydrophobicContact CB-CD1 4.07Å; F252-Y293 HydrophobicContact CB-CD2 3.96Å; F252-Y293 HydrophobicContact CB-CE1 4.15Å; F252-Y293 HydrophobicContact CB-CE2 4.07Å; F252-Y293 HydrophobicContact CB-CG 3.97Å; F252-Y293 HydrophobicContact CD2-CD2 4.36Å; F252-Y293 AromaticContact CD2-CE2 3.91Å; F252-Y293 HydrophobicContact CD2-CE2 3.91Å; F252-Y293 HydrophobicContact CG-CE2 4.48Å; F252-M295 HydrophobicContact CB-CE 3.7Å; F252-M295 HydrophobicContact CB-SD 4.22Å; F252-M295 HydrophobicContact CD1-CE 4.03Å; F252-M295 HydrophobicContact CD2-CE 4.26Å; F252-M295 HydrophobicContact CG-CE 3.73Å
253	N	98.9	Very high	98.8	Very high	64 Å²	64	42.6 Å²	42.6	34%	0.342	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-44.4	-179.2	-170.7	36.8	0	0	0	112.8	H249 A250 G251 S255 A256 T257 Y293	H249-N253 WeakPolarHBondContact O-CB 3.39Å; H249-N253 PolarHBondContact O-N 2.67Å; H249-N253 VanDerWaalsContact O-N 3.09Å; A250-N253 PolarHBondContact O-N 2.67Å; G251-N253 PolarHBondContact O-N 2.76Å; N253-S255 VanDerWaalsContact C-N 3.34Å; N253-S255 PolarHBondContact O-N 3.41Å; N253-A256 PolarHBondContact O-N 2.73Å; N253-T257 WeakPolarHBondContact O-CG2 3.07Å; N253-T257 PolarHBondContact O-N 3.07Å; N253-T257 PolarHBondContact O-OG1 3.44Å; N253-Y293 HydrophobicContact CB-CD1 3.86Å; N253-Y293 HydrophobicContact CB-CE1 4.06Å
254	F	98.9	Very high	98.8	Very high	117 Å²	117	42.4 Å²	42.4	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-40.4	179.5	-88.2	-122.1	0	0	0	111.5	V219 A250 G251 A256 T257 L258	V219-F254 HydrophobicContact CG1-CB 3.93Å; A250-F254 WeakPolarHBondContact O-CB 3.44Å; A250-F254 VanDerWaalsContact O-CD2 3.24Å; A250-F254 WeakPolarHBondContact O-CD2 3.35Å; A250-F254 PolarHBondContact O-N 3.16Å; G251-F254 PolarHBondContact O-N 3.3Å; F254-A256 VanDerWaalsContact C-N 3.28Å; F254-A256 PolarHBondContact O-N 3.03Å; F254-T257 PolarHBondContact O-OG1 3.15Å; F254-L258 HydrophobicContact CB-CD1 4.3Å; F254-L258 HydrophobicContact CD1-CD1 3.81Å; F254-L258 HydrophobicContact CG-CD1 4.44Å; F254-L258 WeakPolarHBondContact O-CB 3.21Å; F254-L258 VanDerWaalsContact O-CG 3.25Å; F254-L258 WeakPolarHBondContact O-CG 3.27Å; F254-L258 PolarHBondContact O-N 3.14Å
255	S	98.8	Very high	98.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-33.4	179.6	71.7	0	0	0	0	113.9	G251 F252 N253 E259 C260 F264 P325	G251-S255 WeakPolarHBondContact O-CB 3.39Å; G251-S255 PolarHBondContact O-N 2.96Å; G251-S255 PolarHBondContact O-OG 3.47Å; F252-S255 PolarHBondContact O-N 3.11Å; F252-S255 PolarHBondContact O-OG 3.45Å; N253-S255 VanDerWaalsContact C-N 3.34Å; N253-S255 PolarHBondContact O-N 3.41Å; S255-E259 PolarHBondContact O-N 3.01Å; S255-C260 PolarHBondContact O-N 3.08Å; S255-F264 VanDerWaalsContact OG-CE2 3.26Å; S255-F264 WeakPolarHBondContact OG-CE2 3.21Å; S255-P325 WeakPolarHBondContact OG-CB 3.37Å; S255-P325 WeakPolarHBondContact OG-CG 3.38Å
256	A	98.6	Very high	98.8	Very high	23 Å²	23	35.3 Å²	35.3	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-78.3	-52.6	-179.3	0	0	0	0	0	110.2	F252 N253 F254 L258 E259 Y293 M295 P325	F252-A256 PolarHBondContact O-N 3.4Å; N253-A256 PolarHBondContact O-N 2.73Å; F254-A256 VanDerWaalsContact C-N 3.28Å; F254-A256 PolarHBondContact O-N 3.03Å; A256-L258 VanDerWaalsContact C-N 3.28Å; A256-L258 PolarHBondContact O-N 3.19Å; A256-E259 PolarHBondContact O-N 3.26Å; A256-E259 VanDerWaalsContact O-N 3.14Å; A256-Y293 WeakPolarHBondContact CB-O 3.12Å; A256-M295 HydrophobicContact CB-CG 4.34Å; A256-P325 HydrophobicContact CB-CG 4.22Å
257	T	98.8	Very high	98.8	Very high	92 Å²	92	32.9 Å²	32.9	56%	0.564	17%	0.173	S	C	*	.	H	α-helix	trans	-65.6	-29.8	-179.6	56.2	0	0	0	0	113.4	N253 F254	N253-T257 WeakPolarHBondContact O-CG2 3.07Å; N253-T257 PolarHBondContact O-N 3.07Å; N253-T257 PolarHBondContact O-OG1 3.44Å; F254-T257 PolarHBondContact O-OG1 3.15Å
258	L	98.7	Very high	98.8	Very high	63 Å²	63	30 Å²	30	33%	0.33	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	5.3	176.7	-57.5	176.4	0	0	0	113.3	Y223 K226 F254 A256	Y223-L258 HydrophobicContact CD2-CB 3.91Å; Y223-L258 HydrophobicContact CE2-CB 4.12Å; K226-L258 PolarHBondContact NZ-O 2.81Å; F254-L258 HydrophobicContact CB-CD1 4.3Å; F254-L258 HydrophobicContact CD1-CD1 3.81Å; F254-L258 HydrophobicContact CG-CD1 4.44Å; F254-L258 WeakPolarHBondContact O-CB 3.21Å; F254-L258 VanDerWaalsContact O-CG 3.25Å; F254-L258 WeakPolarHBondContact O-CG 3.27Å; F254-L258 PolarHBondContact O-N 3.14Å; A256-L258 VanDerWaalsContact C-N 3.28Å; A256-L258 PolarHBondContact O-N 3.19Å
259	E	98.5	Very high	98.8	Very high	123 Å²	123	30.4 Å²	30.4	58%	0.575	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	65.9	176.6	-66.1	173	-178.2	0	0	111.7	K226 S255 A256 N323	K226-E259 VanDerWaalsContact CD-O 3.24Å; K226-E259 WeakPolarHBondContact CD-O 3.25Å; K226-E259 VanDerWaalsContact CE-O 3.32Å; K226-E259 WeakPolarHBondContact CE-O 3.1Å; K226-E259 PolarHBondContact NZ-O 2.76Å; S255-E259 PolarHBondContact O-N 3.01Å; A256-E259 PolarHBondContact O-N 3.26Å; A256-E259 VanDerWaalsContact O-N 3.14Å; E259-N323 CarbonylContact C-O 3.6Å; E259-N323 WeakPolarHBondContact CA-O 3.32Å; E259-N323 WeakPolarHBondContact CB-O 3.24Å
260	C	98.6	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.			trans	-94.9	136.8	-175.6	-70.1	0	0	0	0	112.7	V219 A222 S255 L262 N323 Q324	V219-C260 HydrophobicContact CG1-CB 4.44Å; A222-C260 HydrophobicContact CB-CB 3.87Å; S255-C260 PolarHBondContact O-N 3.08Å; C260-L262 HydrophobicContact CB-CB 4.24Å; C260-L262 PolarHBondContact O-N 2.88Å; C260-N323 PolarHBondContact N-O 3.26Å; C260-Q324 CarbonylContact O-C 3.53Å
261	P	98.3	Very high	98.8	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.019	14%	0.139	C	C	.	.			trans	-75.5	72.4	173.1	32.7	-36.9	0	0	0	111.2	A222 K226 V234 A319	A222-P261 HydrophobicContact CB-CG 4.43Å; A222-P261 WeakPolarHBondContact O-CD 3.32Å; K226-P261 HydrophobicContact CB-CG 4.24Å; V234-P261 PolarHBondContact N-O 2.92Å; V234-P261 VanDerWaalsContact N-O 3.13Å; P261-A319 WeakPolarHBondContact CA-O 3.49Å; P261-A319 VanDerWaalsContact CB-O 3.27Å; P261-A319 WeakPolarHBondContact CB-O 3.46Å
262	L	98.8	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138	-167.7	177.3	63.6	0	0	0	112	A218 V219 A222 V234 C236 C260 F264 P325 F326	A218-L262 HydrophobicContact CB-CD1 4.06Å; V219-L262 HydrophobicContact CB-CD2 4.34Å; V219-L262 HydrophobicContact CG2-CD2 3.61Å; A222-L262 HydrophobicContact CB-CB 4.02Å; V234-L262 HydrophobicContact CB-CD1 3.62Å; V234-L262 HydrophobicContact CG1-CD1 3.55Å; V234-L262 WeakPolarHBondContact O-CA 3.24Å; V234-L262 WeakPolarHBondContact O-CD1 3.2Å; C236-L262 HydrophobicContact CB-CD1 4.21Å; C260-L262 HydrophobicContact CB-CB 4.24Å; C260-L262 PolarHBondContact O-N 2.88Å; L262-F264 HydrophobicContact CD2-CD1 4.26Å; L262-F264 HydrophobicContact CD2-CE1 3.48Å; L262-F264 VanDerWaalsContact CD2-CE1 3.48Å; L262-F264 HydrophobicContact CD2-CE2 3.85Å; L262-F264 HydrophobicContact CD2-CZ 3.25Å; L262-F264 HydrophobicContact CG-CD1 4.49Å; L262-F264 HydrophobicContact CG-CE1 4.16Å; L262-F264 HydrophobicContact CG-CE2 4.37Å; L262-F264 HydrophobicContact CG-CZ 4.12Å; L262-P325 CarbonylContact O-C 3.58Å; L262-P325 VanDerWaalsContact O-CA 3.25Å; L262-P325 WeakPolarHBondContact O-CA 3.22Å; L262-F326 PolarHBondContact O-N 2.94Å
263	I	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.5	169.6	-50.3	170.7	0	0	0	108.3	L150 V234 I235 C236 T312 A315 R316 A319 F326 I328	L150-I263 HydrophobicContact CD2-CD1 4.25Å; V234-I263 PolarHBondContact O-N 2.96Å; I235-I263 CarbonylContact C-O 3.59Å; I235-I263 WeakPolarHBondContact CA-O 3.08Å; I235-I263 HydrophobicContact CB-CB 4.39Å; I235-I263 HydrophobicContact CD1-CB 4.38Å; I235-I263 HydrophobicContact CD1-CG2 4.26Å; I235-I263 HydrophobicContact CG1-CB 4.11Å; I235-I263 HydrophobicContact CG1-CG2 4.35Å; C236-I263 PolarHBondContact N-O 2.98Å; I263-T312 HydrophobicContact CD1-CG2 4.35Å; I263-A315 HydrophobicContact CD1-CB 4.1Å; I263-A315 HydrophobicContact CG1-CB 4.18Å; I263-A315 HydrophobicContact CG2-CB 4.31Å; I263-R316 HydrophobicContact CD1-CB 3.76Å; I263-R316 HydrophobicContact CD1-CG 4.44Å; I263-A319 HydrophobicContact CG1-CB 4.47Å; I263-F326 CarbonylContact C-O 3.17Å; I263-F326 WeakPolarHBondContact CA-O 3.38Å; I263-I328 HydrophobicContact CG2-CD1 3.92Å; I263-I328 HydrophobicContact CG2-CG1 4.27Å
264	F	99	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123	163.7	-67.4	-61.3	0	0	0	109.1	I215 V219 C236 F238 F252 S255 L262 M295 P325 F326 L327 I328	I215-F264 HydrophobicContact CG2-CD1 4.05Å; I215-F264 HydrophobicContact CG2-CE1 3.45Å; I215-F264 VanDerWaalsContact CG2-CE1 3.45Å; I215-F264 HydrophobicContact CG2-CZ 4.28Å; V219-F264 HydrophobicContact CG2-CE1 4.47Å; V219-F264 HydrophobicContact CG2-CZ 4.01Å; C236-F264 HydrophobicContact CB-CD1 4.16Å; F238-F264 HydrophobicContact CE1-CB 3.76Å; F238-F264 AromaticContact CE1-CD1 3.91Å; F238-F264 HydrophobicContact CE1-CD1 3.91Å; F238-F264 HydrophobicContact CE1-CG 4.22Å; F238-F264 HydrophobicContact CZ-CB 4.06Å; F252-F264 HydrophobicContact CD1-CD1 4.09Å; F252-F264 AromaticContact CD1-CD2 3.76Å; F252-F264 HydrophobicContact CD1-CD2 3.76Å; F252-F264 AromaticContact CD1-CE1 3.99Å; F252-F264 HydrophobicContact CD1-CE1 3.99Å; F252-F264 AromaticContact CD1-CE2 3.62Å; F252-F264 HydrophobicContact CD1-CE2 3.62Å; F252-F264 AromaticContact CD1-CG 3.98Å; F252-F264 HydrophobicContact CD1-CG 3.98Å; F252-F264 AromaticContact CD1-CZ 3.73Å; F252-F264 HydrophobicContact CD1-CZ 3.73Å; F252-F264 HydrophobicContact CE1-CB 4.29Å; F252-F264 AromaticContact CE1-CD1 3.83Å; F252-F264 HydrophobicContact CE1-CD1 3.83Å; F252-F264 HydrophobicContact CE1-CD2 4.01Å; F252-F264 HydrophobicContact CE1-CE1 4.11Å; F252-F264 HydrophobicContact CE1-CE2 4.27Å; F252-F264 AromaticContact CE1-CG 3.77Å; F252-F264 HydrophobicContact CE1-CG 3.77Å; F252-F264 HydrophobicContact CE1-CZ 4.3Å; S255-F264 VanDerWaalsContact OG-CE2 3.26Å; S255-F264 WeakPolarHBondContact OG-CE2 3.21Å; L262-F264 HydrophobicContact CD2-CD1 4.26Å; L262-F264 HydrophobicContact CD2-CE1 3.48Å; L262-F264 VanDerWaalsContact CD2-CE1 3.48Å; L262-F264 HydrophobicContact CD2-CE2 3.85Å; L262-F264 HydrophobicContact CD2-CZ 3.25Å; L262-F264 HydrophobicContact CG-CD1 4.49Å; L262-F264 HydrophobicContact CG-CE1 4.16Å; L262-F264 HydrophobicContact CG-CE2 4.37Å; L262-F264 HydrophobicContact CG-CZ 4.12Å; F264-M295 HydrophobicContact CD2-CE 4.44Å; F264-M295 HydrophobicContact CD2-SD 3.87Å; F264-M295 HydrophobicContact CE2-SD 3.77Å; F264-P325 HydrophobicContact CE2-CB 4.25Å; F264-F326 PolarHBondContact N-O 2.81Å; F264-L327 HydrophobicContact CB-CD1 3.67Å; F264-I328 PolarHBondContact O-N 3.05Å
265	F	99	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	96.1	179.6	-162.5	-70.8	0	0	0	109.3	T142 I235 C236 Y237 F238 R267 V308 I328 A330	T142-F265 HydrophobicContact CG2-CE1 4.45Å; I235-F265 HydrophobicContact CD1-CB 4.14Å; I235-F265 HydrophobicContact CD1-CD2 4.16Å; I235-F265 HydrophobicContact CD1-CG 4.48Å; I235-F265 HydrophobicContact CG1-CB 4.16Å; C236-F265 PolarHBondContact O-N 3.42Å; Y237-F265 WeakPolarHBondContact CA-O 3.4Å; Y237-F265 HydrophobicContact CD1-CB 3.73Å; Y237-F265 AromaticContact CD1-CD1 3.56Å; Y237-F265 HydrophobicContact CD1-CD1 3.56Å; Y237-F265 HydrophobicContact CD1-CE1 4.38Å; Y237-F265 AromaticContact CD1-CG 3.75Å; Y237-F265 HydrophobicContact CD1-CG 3.75Å; Y237-F265 HydrophobicContact CE1-CB 3.92Å; Y237-F265 AromaticContact CE1-CD1 3.7Å; Y237-F265 HydrophobicContact CE1-CD1 3.7Å; Y237-F265 HydrophobicContact CE1-CD2 4.19Å; Y237-F265 HydrophobicContact CE1-CE1 4.27Å; Y237-F265 AromaticContact CE1-CG 3.66Å; Y237-F265 HydrophobicContact CE1-CG 3.66Å; Y237-F265 HydrophobicContact CG-CB 4.31Å; F238-F265 PolarHBondContact N-O 3.37Å; F238-F265 VanDerWaalsContact N-O 3.14Å; F265-R267 HydrophobicContact CD1-CG 4.12Å; F265-R267 HydrophobicContact CE1-CG 4.07Å; F265-V308 HydrophobicContact CE2-CG1 3.98Å; F265-V308 HydrophobicContact CZ-CG1 3.85Å; F265-I328 CarbonylContact C-O 3.59Å; F265-I328 HydrophobicContact CD2-CB 4.14Å; F265-I328 HydrophobicContact CD2-CD1 4.28Å; F265-I328 HydrophobicContact CD2-CG2 4.14Å; F265-I328 HydrophobicContact CE2-CB 4.42Å; F265-I328 HydrophobicContact CE2-CD1 4.49Å; F265-I328 HydrophobicContact CE2-CG2 3.93Å; F265-I328 HydrophobicContact CZ-CG2 4.44Å; F265-A330 HydrophobicContact CE1-CB 3.58Å; F265-A330 HydrophobicContact CZ-CB 3.68Å
266	C	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.6	177	-179	0	0	0	0	110.3	F238 I286 L327 I328 E329 A330	F238-C266 HydrophobicContact CD2-CB 4.23Å; F238-C266 HydrophobicContact CE2-CB 3.58Å; F238-C266 HydrophobicContact CZ-CB 3.84Å; F238-C266 CarbonylContact O-C 3.55Å; F238-C266 VanDerWaalsContact O-CA 3.28Å; F238-C266 WeakPolarHBondContact O-CA 3.48Å; C266-I286 HydrophobicContact CB-CB 4.35Å; C266-I286 HydrophobicContact CB-CG2 4.12Å; C266-I286 VanDerWaalsContact SG-CG1 3.55Å; C266-L327 HydrophobicContact CB-CD1 4.48Å; C266-I328 PolarHBondContact N-O 3.05Å; C266-E329 HydrophobicContact CB-CG 4.47Å; C266-E329 CarbonylContact O-C 3.6Å; C266-E329 WeakPolarHBondContact O-CA 3.34Å; C266-A330 PolarHBondContact O-N 3.24Å
267	R	98.9	Very high	98.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	102.8	169	-64	179.5	-63.3	85.5	6.1	108.2	E139 E162 F238 G239 E240 F265	E139-R267 IonicContact OE1-NH1 3.72Å; E139-R267 PolarHBondContact OE1-NH1 3.37Å; E139-R267 WeakPolarHBondContact OE2-CB 3.28Å; E139-R267 WeakPolarHBondContact OE2-CD 3.47Å; E139-R267 IonicContact OE2-CZ 3.6Å; E139-R267 IonicContact OE2-NE 3.84Å; E139-R267 IonicContact OE2-NH1 3.45Å; E139-R267 PolarHBondContact OE2-NH1 2.76Å; E162-R267 IonicContact OE1-CZ 3.58Å; E162-R267 IonicContact OE1-NE 3.06Å; E162-R267 PolarHBondContact OE1-NE 3.12Å; E162-R267 IonicContact OE1-NH2 2.9Å; E162-R267 PolarHBondContact OE1-NH2 2.89Å; F238-R267 PolarHBondContact O-N 3.39Å; G239-R267 WeakPolarHBondContact CA-O 3.27Å; E240-R267 PolarHBondContact N-O 3.03Å; F265-R267 HydrophobicContact CD1-CG 4.12Å; F265-R267 HydrophobicContact CE1-CG 4.07Å
268	N	98.9	Very high	98.5	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	99.2	176.3	-170.7	-23.1	0	0	0	109	E240 G270 Y281 E329 A330 M331 T332	E240-N268 HydrophobicContact CB-CB 4.12Å; N268-G270 PolarHBondContact OD1-N 3.46Å; N268-Y281 PolarHBondContact ND2-OH 3.39Å; N268-E329 HydrophobicContact CB-CG 3.97Å; N268-E329 PolarHBondContact ND2-OE1 3.44Å; N268-A330 PolarHBondContact N-O 3.42Å; N268-M331 HydrophobicContact CB-CE 4.06Å; N268-M331 HydrophobicContact CB-SD 3.93Å; N268-T332 PolarHBondContact O-N 2.79Å
269	N	98.5	Very high	98.5	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.043	19%	0.189	C	C	.	.			trans	-106.1	8.4	-174.7	71	18.6	0	0	0	113.4	E139 E240 Y271 T332 R334	E139-N269 PolarHBondContact OE1-ND2 3.38Å; E240-N269 PolarHBondContact OE2-N 2.84Å; N269-Y271 PolarHBondContact O-N 3.11Å; N269-Y271 PolarHBondContact OD1-N 3.39Å; N269-Y271 PolarHBondContact OD1-O 3.26Å; N269-Y271 VanDerWaalsContact OD1-O 3.1Å; N269-T332 WeakPolarHBondContact CA-O 3.42Å; N269-T332 HydrophobicContact CB-CG2 3.7Å; N269-R334 HydrophobicContact CB-CB 4.02Å; N269-R334 PolarHBondContact O-N 2.74Å
270	G	98.3	Very high	98.5	Very high	18 Å²	18	30.6 Å²	30.6	19%	0.186	17%	0.172	C	C	.	.	S	Bend	trans	87.5	-11.8	176.1	0	0	0	0	0	116	N268 T277	N268-G270 PolarHBondContact OD1-N 3.46Å; G270-T277 PolarHBondContact O-N 2.81Å
271	Y	98.7	Very high	98.5	Very high	30 Å²	30	32.3 Å²	32.3	12%	0.118	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	129.1	-173.3	-68.8	-91.7	0	0	0	115.1	E240 N269 T275 P276 Y333 R334 Y347 R348 E352	E240-Y271 PolarHBondContact OE1-N 2.86Å; N269-Y271 PolarHBondContact O-N 3.11Å; N269-Y271 PolarHBondContact OD1-N 3.39Å; N269-Y271 PolarHBondContact OD1-O 3.26Å; N269-Y271 VanDerWaalsContact OD1-O 3.1Å; Y271-T275 WeakPolarHBondContact CA-O 3.44Å; Y271-P276 HydrophobicContact CD1-CB 4.28Å; Y271-P276 HydrophobicContact CE1-CB 3.97Å; Y271-Y333 HydrophobicContact CE2-CE2 4.2Å; Y271-R334 PolarHBondContact O-NH1 3.36Å; Y271-Y347 HydrophobicContact CD1-CD2 4.41Å; Y271-Y347 HydrophobicContact CD1-CE2 4.38Å; Y271-Y347 HydrophobicContact CE1-CD2 4.38Å; Y271-R348 HydrophobicContact CE1-CB 4.27Å; Y271-E352 WeakPolarHBondContact CE2-OE1 3.36Å; Y271-E352 PolarHBondContact OH-OE1 2.9Å; Y271-E352 PolarHBondContact OH-OE2 3.34Å
272	A	98.4	Very high	98.5	Very high	25 Å²	25	42.3 Å²	42.3	21%	0.207	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	98.8	164.2	0	0	0	0	0	110.4	E240 S274 T275	E240-A272 PolarHBondContact OE1-N 2.84Å; A272-S274 PolarHBondContact O-N 3.19Å; A272-T275 PolarHBondContact N-O 3.48Å; A272-T275 WeakPolarHBondContact O-CB 3.39Å; A272-T275 PolarHBondContact O-N 3.04Å; A272-T275 PolarHBondContact O-OG1 3.11Å
273	I	98.1	Very high	98.5	Very high	87 Å²	87	44.1 Å²	44.1	45%	0.446	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-104	-167.5	-48.6	-179.9	0	0	0	109.4	R334 H338 Y347	I273-R334 PolarHBondContact O-NH1 3.49Å; I273-R334 PolarHBondContact O-NH2 3.24Å; I273-H338 HydrophobicContact CG2-CB 4.4Å; I273-Y347 VanDerWaalsContact O-CE2 3.32Å; I273-Y347 WeakPolarHBondContact O-CE2 3.35Å; I273-Y347 VanDerWaalsContact O-CZ 3.31Å; I273-Y347 PolarHBondContact O-OH 3.4Å; I273-Y347 VanDerWaalsContact O-OH 3.09Å
274	S	98.1	Very high	98.5	Very high	57 Å²	57	45.2 Å²	45.2	40%	0.399	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-7.4	176.8	61.4	0	0	0	0	114.1	A272 P276 Y347	A272-S274 PolarHBondContact O-N 3.19Å; S274-P276 WeakPolarHBondContact O-CD 3.29Å; S274-Y347 VanDerWaalsContact CB-CD1 3.43Å
275	T	98.6	Very high	98.4	Very high	49 Å²	49	45.5 Å²	45.5	30%	0.301	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.6	-172.9	-52	0	0	0	0	110.1	Y271 A272 E279	Y271-T275 WeakPolarHBondContact CA-O 3.44Å; A272-T275 PolarHBondContact N-O 3.48Å; A272-T275 WeakPolarHBondContact O-CB 3.39Å; A272-T275 PolarHBondContact O-N 3.04Å; A272-T275 PolarHBondContact O-OG1 3.11Å; T275-E279 HydrophobicContact CG2-CB 3.85Å
276	P	98.4	Very high	98.4	Very high	33 Å²	33	45.5 Å²	45.5	21%	0.214	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	160	174.1	29.3	-35.2	0	0	0	112.4	Y271 S274 N278 E279 Q280	Y271-P276 HydrophobicContact CD1-CB 4.28Å; Y271-P276 HydrophobicContact CE1-CB 3.97Å; S274-P276 WeakPolarHBondContact O-CD 3.29Å; P276-N278 VanDerWaalsContact C-N 3.28Å; P276-N278 WeakPolarHBondContact CB-OD1 3.46Å; P276-N278 WeakPolarHBondContact CG-OD1 3.47Å; P276-N278 PolarHBondContact O-N 2.8Å; P276-E279 HydrophobicContact CG-CG 4.31Å; P276-E279 PolarHBondContact O-N 2.91Å; P276-E279 VanDerWaalsContact O-N 3.07Å; P276-Q280 PolarHBondContact O-N 3.33Å
277	T	98.3	Very high	98.4	Very high	38 Å²	38	45.5 Å²	45.5	23%	0.233	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-26	-175.9	46.5	0	0	0	0	115.3	E240 G270 E279 Q280 Y281	E240-T277 HydrophobicContact CG-CG2 3.76Å; G270-T277 PolarHBondContact O-N 2.81Å; T277-E279 PolarHBondContact O-N 3.47Å; T277-Q280 PolarHBondContact O-N 2.82Å; T277-Q280 VanDerWaalsContact O-N 3.08Å; T277-Y281 WeakPolarHBondContact CB-OH 3.47Å; T277-Y281 HydrophobicContact CG2-CE1 3.9Å; T277-Y281 VanDerWaalsContact CG2-OH 3.31Å; T277-Y281 WeakPolarHBondContact CG2-OH 3.4Å; T277-Y281 PolarHBondContact O-N 2.65Å
278	N	97.3	Very high	98.4	Very high	102 Å²	102	47.3 Å²	47.3	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-19.2	175.1	65.1	-17.4	0	0	0	113.6	P276 R282	P276-N278 VanDerWaalsContact C-N 3.28Å; P276-N278 WeakPolarHBondContact CB-OD1 3.46Å; P276-N278 WeakPolarHBondContact CG-OD1 3.47Å; P276-N278 PolarHBondContact O-N 2.8Å; N278-R282 PolarHBondContact O-NE 3.19Å; N278-R282 VanDerWaalsContact O-NE 3.16Å
279	E	98.5	Very high	98.4	Very high	141 Å²	141	50.4 Å²	50.4	66%	0.659	27%	0.271	S	S	*	.	H	α-helix	trans	-97.6	-18.2	170.6	-67	-177.4	175.2	0	0	112.3	T275 P276 T277	T275-E279 HydrophobicContact CG2-CB 3.85Å; P276-E279 HydrophobicContact CG-CG 4.31Å; P276-E279 PolarHBondContact O-N 2.91Å; P276-E279 VanDerWaalsContact O-N 3.07Å; T277-E279 PolarHBondContact O-N 3.47Å
280	Q	98.7	Very high	98.4	Very high	45 Å²	45	50 Å²	50	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-79.4	-43.3	178.2	-166.3	60.9	-101.8	0	0	112.5	S244 P276 T277	S244-Q280 VanDerWaalsContact CB-OE1 3.31Å; S244-Q280 PolarHBondContact OG-OE1 3.17Å; P276-Q280 PolarHBondContact O-N 3.33Å; T277-Q280 PolarHBondContact O-N 2.82Å; T277-Q280 VanDerWaalsContact O-N 3.08Å
281	Y	98.5	Very high	98.4	Very high	37 Å²	37	52.9 Å²	52.9	15%	0.145	28%	0.284	C	S	.	.			trans	-155.9	167.8	-178.8	54.4	-105.7	0	0	0	112.1	E240 N268 T277 G283 I286	E240-Y281 HydrophobicContact CB-CE1 4.22Å; E240-Y281 HydrophobicContact CG-CE1 4.09Å; N268-Y281 PolarHBondContact ND2-OH 3.39Å; T277-Y281 WeakPolarHBondContact CB-OH 3.47Å; T277-Y281 HydrophobicContact CG2-CE1 3.9Å; T277-Y281 VanDerWaalsContact CG2-OH 3.31Å; T277-Y281 WeakPolarHBondContact CG2-OH 3.4Å; T277-Y281 PolarHBondContact O-N 2.65Å; Y281-G283 WeakPolarHBondContact CD2-O 3.45Å; Y281-I286 HydrophobicContact CD1-CD1 4.18Å; Y281-I286 HydrophobicContact CE1-CD1 4.19Å
282	R	98.4	Very high	98.4	Very high	212 Å²	212	55.1 Å²	55.1	80%	0.8	32%	0.316	S	S	*	.	S	Bend	trans	-121.4	-7.9	178.8	-61.6	-61.5	-178.2	76.7	2	114.7	N278	N278-R282 PolarHBondContact O-NE 3.19Å; N278-R282 VanDerWaalsContact O-NE 3.16Å
283	G	97.9	Very high	98.4	Very high	39 Å²	39	56.7 Å²	56.7	40%	0.402	32%	0.317	S	S	.	.	S	Bend	trans	-77.6	178	170.8	0	0	0	0	0	111.9	Y281 G285	Y281-G283 WeakPolarHBondContact CD2-O 3.45Å; G283-G285 PolarHBondContact O-N 2.95Å
284	D	98.2	Very high	98.5	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.118	33%	0.325	C	S	.	.	S	Bend	trans	-76.2	73	174.8	174.8	29.8	0	0	0	111.3	G77 I78 A288 R299	G77-D284 VanDerWaalsContact CA-CG 3.45Å; G77-D284 WeakPolarHBondContact CA-OD2 3.08Å; I78-D284 PolarHBondContact N-OD2 3.42Å; D284-A288 HydrophobicContact CB-CB 3.8Å; D284-A288 WeakPolarHBondContact O-CB 3.32Å; D284-R299 PolarHBondContact O-NH2 3.23Å; D284-R299 IonicContact OD1-CZ 3.9Å; D284-R299 IonicContact OD1-NH1 3.28Å; D284-R299 PolarHBondContact OD1-NH1 2.93Å; D284-R299 IonicContact OD1-NH2 3.68Å; D284-R299 PolarHBondContact OD1-NH2 3.38Å; D284-R299 VanDerWaalsContact OD1-NH2 3.1Å; D284-R299 IonicContact OD2-NH1 3.36Å; D284-R299 IonicContact OD2-NH2 3.11Å
285	G	98.6	Very high	98.5	Very high	6 Å²	6	52.9 Å²	52.9	6%	0.062	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-153.8	178.7	0	0	0	0	0	113.7	G283	G283-G285 PolarHBondContact O-N 2.95Å
286	I	98.9	Very high	98.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-35.7	-179.9	-53	-50.8	0	0	0	111.1	F238 E240 A243 C266 Y281 A288 R289 L327 E329	F238-I286 HydrophobicContact CE2-CG2 4.32Å; E240-I286 HydrophobicContact CB-CD1 4.39Å; E240-I286 HydrophobicContact CB-CG1 4.03Å; A243-I286 HydrophobicContact CB-CD1 3.66Å; A243-I286 HydrophobicContact CB-CG1 4.11Å; A243-I286 HydrophobicContact CB-CG2 4.29Å; C266-I286 HydrophobicContact CB-CB 4.35Å; C266-I286 HydrophobicContact CB-CG2 4.12Å; C266-I286 VanDerWaalsContact SG-CG1 3.55Å; Y281-I286 HydrophobicContact CD1-CD1 4.18Å; Y281-I286 HydrophobicContact CE1-CD1 4.19Å; I286-A288 PolarHBondContact O-N 2.76Å; I286-R289 VanDerWaalsContact O-CB 3.29Å; I286-R289 WeakPolarHBondContact O-CB 3.41Å; I286-R289 PolarHBondContact O-N 3.18Å; I286-L327 HydrophobicContact CG2-CD1 4.39Å; I286-L327 HydrophobicContact CG2-CD2 4.31Å; I286-L327 WeakPolarHBondContact O-CD2 3.25Å; I286-E329 HydrophobicContact CB-CG 4.39Å; I286-E329 VanDerWaalsContact N-CD 3.31Å; I286-E329 PolarHBondContact N-OE1 2.89Å; I286-E329 PolarHBondContact N-OE2 3.34Å
287	A	98.8	Very high	98.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.1	-38.1	179.5	0	0	0	0	0	112.6	I78 R289 G290 P291 S297 R299 E329	I78-A287 HydrophobicContact CD1-CB 3.81Å; A287-R289 PolarHBondContact O-N 2.63Å; A287-G290 PolarHBondContact O-N 2.91Å; A287-P291 VanDerWaalsContact O-CD 3.27Å; A287-P291 WeakPolarHBondContact O-CD 3.4Å; A287-S297 WeakPolarHBondContact O-CB 3.33Å; A287-R299 HydrophobicContact CB-CB 4.23Å; A287-E329 HydrophobicContact CB-CB 3.85Å; A287-E329 VanDerWaalsContact CB-OE2 3.26Å; A287-E329 WeakPolarHBondContact CB-OE2 3.37Å; A287-E329 PolarHBondContact N-OE2 3.37Å
288	A	98.7	Very high	98.5	Very high	41 Å²	41	54.9 Å²	54.9	34%	0.339	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-69.8	-14.4	179.3	0	0	0	0	0	114	I78 D284 I286	I78-A288 HydrophobicContact CD1-CB 4.02Å; D284-A288 HydrophobicContact CB-CB 3.8Å; D284-A288 WeakPolarHBondContact O-CB 3.32Å; I286-A288 PolarHBondContact O-N 2.76Å
289	R	98.8	Very high	98.6	Very high	69 Å²	69	50.9 Å²	50.9	26%	0.26	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-76.1	-33.9	175.4	-55.1	-176.7	-172.7	-171.6	2.2	111.5	A243 I286 A287 G292 Y293	A243-R289 PolarHBondContact O-NH1 3.27Å; I286-R289 VanDerWaalsContact O-CB 3.29Å; I286-R289 WeakPolarHBondContact O-CB 3.41Å; I286-R289 PolarHBondContact O-N 3.18Å; A287-R289 PolarHBondContact O-N 2.63Å; R289-G292 PolarHBondContact O-N 3.01Å; R289-G292 VanDerWaalsContact O-N 3.15Å; R289-Y293 HydrophobicContact CB-CE2 4.44Å; R289-Y293 VanDerWaalsContact O-CD2 3.23Å; R289-Y293 WeakPolarHBondContact O-CD2 3.47Å
290	G	98.7	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.3	-45.5	-172.3	0	0	0	0	0	115.1	A287 G292 Y293 G294 M295 S297	A287-G290 PolarHBondContact O-N 2.91Å; G290-G292 PolarHBondContact O-N 3.25Å; G290-G292 VanDerWaalsContact O-N 3.17Å; G290-Y293 PolarHBondContact O-N 3.26Å; G290-G294 PolarHBondContact O-N 3.36Å; G290-M295 CarbonylContact C-O 3.53Å; G290-M295 WeakPolarHBondContact O-CB 3.37Å; G290-M295 PolarHBondContact O-N 3.43Å; G290-S297 WeakPolarHBondContact CA-OG 3.48Å
291	P	98.7	Very high	98.6	Very high	78 Å²	78	42.6 Å²	42.6	51%	0.506	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.7	-30.8	176.5	-27.9	36.9	0	0	0	113.7	A287 Y293 G294 S297	A287-P291 VanDerWaalsContact O-CD 3.27Å; A287-P291 WeakPolarHBondContact O-CD 3.4Å; P291-Y293 PolarHBondContact O-N 2.86Å; P291-G294 PolarHBondContact O-N 3.3Å; P291-S297 WeakPolarHBondContact CD-OG 3.46Å
292	G	98.6	Very high	98.6	Very high	76 Å²	76	40.9 Å²	40.9	78%	0.784	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-65	-20.2	175.8	0	0	0	0	0	114.3	R289 G290	R289-G292 PolarHBondContact O-N 3.01Å; R289-G292 VanDerWaalsContact O-N 3.15Å; G290-G292 PolarHBondContact O-N 3.25Å; G290-G292 VanDerWaalsContact O-N 3.17Å
293	Y	98.8	Very high	98.7	Very high	58 Å²	58	30.9 Å²	30.9	23%	0.227	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-99.3	2.9	172.2	-60.4	-85.4	0	0	0	112.6	H249 F252 N253 A256 R289 G290 P291 M295	H249-Y293 AromaticContact CE1-CE1 3.75Å; H249-Y293 AromaticContact ND1-CE1 3.44Å; H249-Y293 WeakPolarHBondContact ND1-CE1 3.42Å; H249-Y293 AromaticContact ND1-CZ 3.52Å; H249-Y293 PolarHBondContact ND1-OH 2.56Å; F252-Y293 HydrophobicContact CB-CD1 4.07Å; F252-Y293 HydrophobicContact CB-CD2 3.96Å; F252-Y293 HydrophobicContact CB-CE1 4.15Å; F252-Y293 HydrophobicContact CB-CE2 4.07Å; F252-Y293 HydrophobicContact CB-CG 3.97Å; F252-Y293 HydrophobicContact CD2-CD2 4.36Å; F252-Y293 AromaticContact CD2-CE2 3.91Å; F252-Y293 HydrophobicContact CD2-CE2 3.91Å; F252-Y293 HydrophobicContact CG-CE2 4.48Å; N253-Y293 HydrophobicContact CB-CD1 3.86Å; N253-Y293 HydrophobicContact CB-CE1 4.06Å; A256-Y293 WeakPolarHBondContact CB-O 3.12Å; R289-Y293 HydrophobicContact CB-CE2 4.44Å; R289-Y293 VanDerWaalsContact O-CD2 3.23Å; R289-Y293 WeakPolarHBondContact O-CD2 3.47Å; G290-Y293 PolarHBondContact O-N 3.26Å; P291-Y293 PolarHBondContact O-N 2.86Å; Y293-M295 HydrophobicContact CD2-CE 4.1Å; Y293-M295 HydrophobicContact CG-CE 4.44Å
294	G	98.2	Very high	98.7	Very high	60 Å²	60	29 Å²	29	62%	0.619	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	18.3	-172.1	0	0	0	0	0	114.3	G290 P291	G290-G294 PolarHBondContact O-N 3.36Å; P291-G294 PolarHBondContact O-N 3.3Å
295	M	98.2	Very high	98.7	Very high	5 Å²	5	28 Å²	28	3%	0.025	18%	0.184	C	C	.	.			trans	-91.4	140.4	179.5	-53.5	-169.2	-68.1	0	0	112.2	F252 A256 F264 G290 Y293 S297 P325 L327	F252-M295 HydrophobicContact CB-CE 3.7Å; F252-M295 HydrophobicContact CB-SD 4.22Å; F252-M295 HydrophobicContact CD1-CE 4.03Å; F252-M295 HydrophobicContact CD2-CE 4.26Å; F252-M295 HydrophobicContact CG-CE 3.73Å; A256-M295 HydrophobicContact CB-CG 4.34Å; F264-M295 HydrophobicContact CD2-CE 4.44Å; F264-M295 HydrophobicContact CD2-SD 3.87Å; F264-M295 HydrophobicContact CE2-SD 3.77Å; G290-M295 CarbonylContact C-O 3.53Å; G290-M295 WeakPolarHBondContact O-CB 3.37Å; G290-M295 PolarHBondContact O-N 3.43Å; Y293-M295 HydrophobicContact CD2-CE 4.1Å; Y293-M295 HydrophobicContact CG-CE 4.44Å; M295-S297 PolarHBondContact O-N 3.37Å; M295-S297 PolarHBondContact O-OG 3.28Å; M295-S297 VanDerWaalsContact O-OG 3.14Å; M295-P325 HydrophobicContact CB-CG 4.4Å; M295-P325 HydrophobicContact CG-CB 4.31Å; M295-P325 HydrophobicContact CG-CG 3.71Å; M295-P325 HydrophobicContact SD-CB 4.01Å; M295-P325 HydrophobicContact SD-CG 3.98Å; M295-L327 HydrophobicContact CE-CB 4.46Å; M295-L327 HydrophobicContact CE-CD2 4.39Å
296	L	98.5	Very high	98.8	Very high	63 Å²	63	27.7 Å²	27.7	33%	0.33	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.3	169.4	-64.7	174.9	0	0	0	109.6	F326 L327	L296-F326 HydrophobicContact CB-CD1 3.76Å; L296-F326 HydrophobicContact CB-CE1 3.64Å; L296-F326 HydrophobicContact CB-CZ 4.29Å; L296-F326 HydrophobicContact CD1-CD1 4.39Å; L296-F326 HydrophobicContact CD1-CE1 3.47Å; L296-F326 VanDerWaalsContact CD1-CE1 3.47Å; L296-F326 HydrophobicContact CD1-CE2 4.4Å; L296-F326 HydrophobicContact CD1-CZ 3.45Å; L296-F326 VanDerWaalsContact CD1-CZ 3.45Å; L296-F326 HydrophobicContact CG-CE1 4.21Å; L296-F326 HydrophobicContact CG-CZ 4.47Å; L296-F326 CarbonylContact O-C 3.53Å; L296-F326 WeakPolarHBondContact O-CA 3.14Å; L296-L327 PolarHBondContact O-N 3.28Å
297	S	98.9	Very high	98.8	Very high	36 Å²	36	27.7 Å²	27.7	25%	0.252	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.3	-168.4	-54.2	0	0	0	0	111.9	A287 G290 P291 M295 L327	A287-S297 WeakPolarHBondContact O-CB 3.33Å; G290-S297 WeakPolarHBondContact CA-OG 3.48Å; P291-S297 WeakPolarHBondContact CD-OG 3.46Å; M295-S297 PolarHBondContact O-N 3.37Å; M295-S297 PolarHBondContact O-OG 3.28Å; M295-S297 VanDerWaalsContact O-OG 3.14Å; S297-L327 CarbonylContact C-O 3.54Å; S297-L327 VanDerWaalsContact CA-O 3.27Å; S297-L327 WeakPolarHBondContact CA-O 3.28Å
298	I	98.9	Very high	98.8	Very high	63 Å²	63	27.7 Å²	27.7	32%	0.323	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.1	176.7	-170.9	169.9	0	0	0	110.2	Y81 V300 A311 L327 I328 E329	Y81-I298 HydrophobicContact CG-CD1 4.43Å; I298-V300 HydrophobicContact CD1-CG1 4.33Å; I298-V300 HydrophobicContact CG1-CG1 4.2Å; I298-V300 HydrophobicContact CG2-CG1 4.39Å; I298-A311 HydrophobicContact CD1-CB 4.39Å; I298-A311 HydrophobicContact CG2-CB 4.35Å; I298-L327 PolarHBondContact N-O 2.87Å; I298-I328 HydrophobicContact CG2-CB 4.33Å; I298-I328 HydrophobicContact CG2-CG1 3.82Å; I298-I328 HydrophobicContact CG2-CG2 4.37Å; I298-I328 WeakPolarHBondContact O-CA 3.45Å; I298-E329 PolarHBondContact O-N 3.13Å
299	R	98.9	Very high	98.8	Very high	17 Å²	17	27.4 Å²	27.4	6%	0.064	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.3	169.4	-176.3	177.9	-70.7	156.7	-6.2	109.5	I78 V80 Y81 D284 A287 E329 M331	I78-R299 HydrophobicContact CG2-CB 3.86Å; I78-R299 PolarHBondContact O-NH1 3.09Å; V80-R299 HydrophobicContact CG2-CG 4.09Å; Y81-R299 WeakPolarHBondContact CB-O 3.42Å; Y81-R299 PolarHBondContact N-O 3.08Å; D284-R299 PolarHBondContact O-NH2 3.23Å; D284-R299 IonicContact OD1-CZ 3.9Å; D284-R299 IonicContact OD1-NH1 3.28Å; D284-R299 PolarHBondContact OD1-NH1 2.93Å; D284-R299 IonicContact OD1-NH2 3.68Å; D284-R299 PolarHBondContact OD1-NH2 3.38Å; D284-R299 VanDerWaalsContact OD1-NH2 3.1Å; D284-R299 IonicContact OD2-NH1 3.36Å; D284-R299 IonicContact OD2-NH2 3.11Å; A287-R299 HydrophobicContact CB-CB 4.23Å; R299-E329 CarbonylContact C-O 3.55Å; R299-E329 VanDerWaalsContact CA-O 3.28Å; R299-E329 WeakPolarHBondContact CA-O 3.32Å; R299-E329 HydrophobicContact CG-CB 4.47Å; R299-E329 IonicContact CZ-OE2 3.42Å; R299-E329 VanDerWaalsContact CZ-OE2 3.28Å; R299-E329 IonicContact NE-OE2 3.89Å; R299-E329 PolarHBondContact NE-OE2 3.28Å; R299-E329 IonicContact NH2-OE2 2.76Å; R299-E329 PolarHBondContact NH2-OE2 2.85Å; R299-M331 HydrophobicContact CG-CG 3.55Å; R299-M331 HydrophobicContact CG-SD 3.88Å
300	V	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.3	-176.2	-54.2	0	0	0	0	111.6	V80 Y81 I298 G302 V308 A311 I328 E329 A330 M331	V80-V300 VanDerWaalsContact CG1-C 3.47Å; Y81-V300 HydrophobicContact CD1-CG1 4.06Å; I298-V300 HydrophobicContact CD1-CG1 4.33Å; I298-V300 HydrophobicContact CG1-CG1 4.2Å; I298-V300 HydrophobicContact CG2-CG1 4.39Å; V300-G302 PolarHBondContact O-N 2.86Å; V300-V308 HydrophobicContact CG2-CG2 4.16Å; V300-A311 HydrophobicContact CG1-CB 3.54Å; V300-I328 HydrophobicContact CG1-CG2 4.18Å; V300-I328 HydrophobicContact CG2-CG2 3.83Å; V300-E329 PolarHBondContact N-O 2.92Å; V300-A330 HydrophobicContact CG2-CB 3.75Å; V300-M331 PolarHBondContact O-N 3.16Å
301	D	98.9	Very high	98.8	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	106	167.5	-179.8	-8.7	0	0	0	108.8	V80 Y81 R82 N303 D304 R365	V80-D301 HydrophobicContact CG1-CB 3.9Å; V80-D301 VanDerWaalsContact CG1-N 3.28Å; Y81-D301 PolarHBondContact O-N 3.44Å; R82-D301 HydrophobicContact CB-CB 4.17Å; R82-D301 WeakPolarHBondContact CD-OD2 3.33Å; R82-D301 HydrophobicContact CG-CB 4.14Å; R82-D301 WeakPolarHBondContact CG-OD2 3.46Å; D301-N303 PolarHBondContact O-N 2.92Å; D301-N303 WeakPolarHBondContact OD1-CB 3.17Å; D301-N303 PolarHBondContact OD1-N 2.85Å; D301-D304 HydrophobicContact CB-CB 3.93Å; D301-D304 WeakPolarHBondContact O-CB 3.49Å; D301-D304 PolarHBondContact O-N 2.93Å; D301-D304 VanDerWaalsContact O-N 3.08Å; D301-D304 PolarHBondContact OD1-N 3.12Å; D301-R365 VanDerWaalsContact CG-NH1 3.31Å; D301-R365 IonicContact OD1-NH1 2.82Å; D301-R365 PolarHBondContact OD1-NH1 2.77Å; D301-R365 VanDerWaalsContact OD1-NH1 3.17Å; D301-R365 IonicContact OD2-CZ 2.89Å; D301-R365 VanDerWaalsContact OD2-CZ 3.27Å; D301-R365 IonicContact OD2-NH1 2.61Å; D301-R365 PolarHBondContact OD2-NH1 2.89Å; D301-R365 IonicContact OD2-NH2 3.13Å; D301-R365 PolarHBondContact OD2-NH2 2.83Å
302	G	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.9	-178.7	0	0	0	0	0	114.2	T142 V300 D304 M331	T142-G302 WeakPolarHBondContact CG2-O 3.48Å; T142-G302 PolarHBondContact N-O 3.47Å; V300-G302 PolarHBondContact O-N 2.86Å; G302-D304 VanDerWaalsContact C-N 3.29Å; G302-M331 VanDerWaalsContact CA-O 3.26Å; G302-M331 WeakPolarHBondContact CA-O 3.44Å; G302-M331 PolarHBondContact N-O 2.75Å
303	N	98.9	Very high	98.8	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.5	172.7	-62.7	-14.7	0	0	0	111.7	G138 D301 T332 D360 P362	G138-N303 PolarHBondContact O-OD1 3.04Å; D301-N303 PolarHBondContact O-N 2.92Å; D301-N303 WeakPolarHBondContact OD1-CB 3.17Å; D301-N303 PolarHBondContact OD1-N 2.85Å; N303-T332 PolarHBondContact OD1-OG1 2.94Å; N303-T332 VanDerWaalsContact OD1-OG1 3.06Å; N303-D360 PolarHBondContact ND2-O 3.46Å; N303-D360 PolarHBondContact ND2-OD1 3.25Å; N303-P362 WeakPolarHBondContact O-CA 3.45Å
304	D	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.			trans	-99.8	99.6	171.4	-169	-25.9	0	0	0	110.8	R82 V83 M84 D301 G302 F306 A307 V308 R365	R82-D304 HydrophobicContact CG-CB 4.48Å; R82-D304 WeakPolarHBondContact CG-OD2 3.17Å; V83-D304 WeakPolarHBondContact CA-OD2 3.4Å; V83-D304 PolarHBondContact N-OD2 2.87Å; M84-D304 WeakPolarHBondContact CG-OD1 3.33Å; M84-D304 PolarHBondContact N-OD2 3.13Å; D301-D304 HydrophobicContact CB-CB 3.93Å; D301-D304 WeakPolarHBondContact O-CB 3.49Å; D301-D304 PolarHBondContact O-N 2.93Å; D301-D304 VanDerWaalsContact O-N 3.08Å; D301-D304 PolarHBondContact OD1-N 3.12Å; G302-D304 VanDerWaalsContact C-N 3.29Å; D304-F306 PolarHBondContact O-N 3.46Å; D304-F306 WeakPolarHBondContact OD1-CB 3.49Å; D304-F306 PolarHBondContact OD1-N 3.46Å; D304-A307 HydrophobicContact CB-CB 3.68Å; D304-A307 PolarHBondContact O-N 2.93Å; D304-A307 PolarHBondContact OD1-N 3.23Å; D304-V308 WeakPolarHBondContact O-CG2 3.39Å; D304-V308 PolarHBondContact O-N 3.07Å; D304-R365 VanDerWaalsContact CB-NH2 3.34Å; D304-R365 IonicContact OD2-NH2 3.14Å
305	V	98.9	Very high	98.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-28.8	179.6	72.5	0	0	0	0	113	M84 F107 Y309 L366	M84-V305 HydrophobicContact CE-CG1 4.06Å; F107-V305 HydrophobicContact CD2-CG1 4.31Å; F107-V305 HydrophobicContact CD2-CG2 3.77Å; F107-V305 HydrophobicContact CE2-CG2 4.3Å; F107-V305 HydrophobicContact CG-CG2 4.44Å; V305-Y309 VanDerWaalsContact O-CB 3.27Å; V305-Y309 WeakPolarHBondContact O-CB 3.23Å; V305-Y309 PolarHBondContact O-N 2.91Å; V305-L366 HydrophobicContact CG1-CD1 3.76Å; V305-L366 HydrophobicContact CG1-CD2 4.2Å; V305-L366 HydrophobicContact CG1-CG 4.41Å
306	F	98.9	Very high	98.9	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-79.2	-37.5	178.4	-61.7	-39.4	0	0	0	111.8	V83 M84 I90 P97 L99 V104 D304 V308 Y309 N310 L366 Y369	V83-F306 HydrophobicContact CB-CB 3.91Å; V83-F306 HydrophobicContact CG1-CB 3.8Å; V83-F306 HydrophobicContact CG1-CD2 4.45Å; V83-F306 HydrophobicContact CG2-CB 4.28Å; M84-F306 HydrophobicContact CE-CD2 4.34Å; M84-F306 HydrophobicContact CG-CD2 4.33Å; M84-F306 HydrophobicContact SD-CD2 3.92Å; M84-F306 HydrophobicContact SD-CE2 4.04Å; I90-F306 HydrophobicContact CD1-CD2 4.34Å; P97-F306 HydrophobicContact CG-CB 4.16Å; P97-F306 HydrophobicContact CG-CD1 3.97Å; P97-F306 HydrophobicContact CG-CG 4.13Å; L99-F306 HydrophobicContact CD1-CD1 4.17Å; L99-F306 HydrophobicContact CD1-CE1 4.1Å; V104-F306 HydrophobicContact CG1-CZ 4.26Å; V104-F306 HydrophobicContact CG2-CE1 4.01Å; V104-F306 HydrophobicContact CG2-CZ 4.06Å; D304-F306 PolarHBondContact O-N 3.46Å; D304-F306 WeakPolarHBondContact OD1-CB 3.49Å; D304-F306 PolarHBondContact OD1-N 3.46Å; F306-V308 VanDerWaalsContact C-N 3.34Å; F306-Y309 PolarHBondContact O-N 3.36Å; F306-N310 PolarHBondContact O-N 3Å; F306-N310 PolarHBondContact O-OD1 3.15Å; F306-L366 HydrophobicContact CE1-CD1 4.31Å; F306-L366 HydrophobicContact CE2-CD1 4.22Å; F306-L366 HydrophobicContact CZ-CD1 3.75Å; F306-Y369 AromaticContact CE2-CD1 3.88Å; F306-Y369 HydrophobicContact CE2-CD1 3.88Å; F306-Y369 AromaticContact CE2-CD2 3.86Å; F306-Y369 HydrophobicContact CE2-CD2 3.86Å; F306-Y369 AromaticContact CE2-CE1 3.75Å; F306-Y369 HydrophobicContact CE2-CE1 3.75Å; F306-Y369 AromaticContact CE2-CE2 3.72Å; F306-Y369 HydrophobicContact CE2-CE2 3.72Å; F306-Y369 AromaticContact CE2-CG 3.92Å; F306-Y369 HydrophobicContact CE2-CG 3.92Å; F306-Y369 AromaticContact CE2-CZ 3.65Å; F306-Y369 AromaticContact CZ-CD1 3.87Å; F306-Y369 HydrophobicContact CZ-CD1 3.87Å; F306-Y369 AromaticContact CZ-CE1 3.54Å; F306-Y369 HydrophobicContact CZ-CE1 3.54Å; F306-Y369 HydrophobicContact CZ-CE2 4.33Å; F306-Y369 HydrophobicContact CZ-CG 4.38Å; F306-Y369 AromaticContact CZ-CZ 3.78Å
307	A	98.9	Very high	98.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-44.4	173.7	0	0	0	0	0	111.3	Y81 V83 D304 A311	Y81-A307 HydrophobicContact CD1-CB 3.84Å; Y81-A307 HydrophobicContact CE1-CB 3.88Å; V83-A307 HydrophobicContact CG2-CB 4.07Å; D304-A307 HydrophobicContact CB-CB 3.68Å; D304-A307 PolarHBondContact O-N 2.93Å; D304-A307 PolarHBondContact OD1-N 3.23Å; A307-A311 WeakPolarHBondContact O-CB 3.24Å; A307-A311 PolarHBondContact O-N 3.36Å; A307-A311 VanDerWaalsContact O-N 3.09Å
308	V	98.9	Very high	98.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-46.2	173.8	174	0	0	0	0	111.1	F265 V300 D304 F306 T312	F265-V308 HydrophobicContact CE2-CG1 3.98Å; F265-V308 HydrophobicContact CZ-CG1 3.85Å; V300-V308 HydrophobicContact CG2-CG2 4.16Å; D304-V308 WeakPolarHBondContact O-CG2 3.39Å; D304-V308 PolarHBondContact O-N 3.07Å; F306-V308 VanDerWaalsContact C-N 3.34Å; V308-T312 VanDerWaalsContact O-CB 3.31Å; V308-T312 WeakPolarHBondContact O-CB 3.47Å; V308-T312 PolarHBondContact O-N 2.93Å; V308-T312 PolarHBondContact O-OG1 3.39Å
309	Y	98.9	Very high	98.9	Very high	34 Å²	34	23.8 Å²	23.8	13%	0.133	10%	0.102	C	C	.	.	H	α-helix	trans	-59.4	-52.7	178.4	176.8	-91	0	0	0	111.7	P97 L99 F107 G145 A148 A149 V305 F306 A311 T312 K313	P97-Y309 HydrophobicContact CB-CD1 4.13Å; P97-Y309 HydrophobicContact CB-CE1 4.19Å; L99-Y309 HydrophobicContact CD1-CD1 4.23Å; L99-Y309 HydrophobicContact CD1-CD2 4.47Å; L99-Y309 HydrophobicContact CD1-CE1 4.28Å; L99-Y309 HydrophobicContact CD1-CE2 4.48Å; L99-Y309 HydrophobicContact CD1-CG 4.34Å; L99-Y309 HydrophobicContact CD2-CE1 3.84Å; L99-Y309 HydrophobicContact CD2-CE2 4.5Å; L99-Y309 HydrophobicContact CG-CE1 4.47Å; F107-Y309 HydrophobicContact CE2-CD2 4.45Å; F107-Y309 HydrophobicContact CZ-CD2 4.05Å; F107-Y309 HydrophobicContact CZ-CE2 4.38Å; G145-Y309 WeakPolarHBondContact O-CA 3.16Å; A148-Y309 HydrophobicContact CB-CD2 3.96Å; A148-Y309 HydrophobicContact CB-CE2 4.13Å; A149-Y309 HydrophobicContact CB-CD2 3.87Å; A149-Y309 HydrophobicContact CB-CE2 4.04Å; A149-Y309 HydrophobicContact CB-CG 4.48Å; V305-Y309 VanDerWaalsContact O-CB 3.27Å; V305-Y309 WeakPolarHBondContact O-CB 3.23Å; V305-Y309 PolarHBondContact O-N 2.91Å; F306-Y309 PolarHBondContact O-N 3.36Å; Y309-A311 PolarHBondContact O-N 3.11Å; Y309-T312 PolarHBondContact O-N 2.66Å; Y309-K313 HydrophobicContact CE1-CB 4.39Å; Y309-K313 VanDerWaalsContact O-CB 3.26Å; Y309-K313 WeakPolarHBondContact O-CB 3.39Å; Y309-K313 PolarHBondContact O-N 3.02Å
310	N	98.9	Very high	98.8	Very high	28 Å²	28	24.1 Å²	24.1	15%	0.15	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-49.9	-178.2	-73.3	12.3	0	0	0	111.4	Y81 E95 P97 F306 T312 K313 E314	Y81-N310 HydrophobicContact CE1-CB 4.05Å; Y81-N310 PolarHBondContact OH-ND2 2.91Å; E95-N310 PolarHBondContact O-ND2 2.87Å; P97-N310 WeakPolarHBondContact CB-OD1 3.47Å; F306-N310 PolarHBondContact O-N 3Å; F306-N310 PolarHBondContact O-OD1 3.15Å; N310-T312 VanDerWaalsContact C-N 3.34Å; N310-T312 PolarHBondContact O-N 3.3Å; N310-K313 PolarHBondContact O-N 3.02Å; N310-E314 PolarHBondContact O-N 2.87Å
311	A	98.9	Very high	98.8	Very high	10 Å²	10	27.4 Å²	27.4	8%	0.083	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-42.7	-178.7	0	0	0	0	0	111.7	I298 V300 A307 Y309 A315 I328	I298-A311 HydrophobicContact CD1-CB 4.39Å; I298-A311 HydrophobicContact CG2-CB 4.35Å; V300-A311 HydrophobicContact CG1-CB 3.54Å; A307-A311 WeakPolarHBondContact O-CB 3.24Å; A307-A311 PolarHBondContact O-N 3.36Å; A307-A311 VanDerWaalsContact O-N 3.09Å; Y309-A311 PolarHBondContact O-N 3.11Å; A311-A315 WeakPolarHBondContact O-CB 3.45Å; A311-A315 PolarHBondContact O-N 3.25Å; A311-I328 HydrophobicContact CB-CD1 4.2Å
312	T	98.9	Very high	98.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-39.6	177.5	-50.8	0	0	0	0	111.2	A149 L150 I235 I263 V308 Y309 N310 A315 R316	A149-T312 HydrophobicContact CB-CG2 3.79Å; L150-T312 HydrophobicContact CD2-CG2 4.2Å; I235-T312 HydrophobicContact CD1-CG2 4.2Å; I263-T312 HydrophobicContact CD1-CG2 4.35Å; V308-T312 VanDerWaalsContact O-CB 3.31Å; V308-T312 WeakPolarHBondContact O-CB 3.47Å; V308-T312 PolarHBondContact O-N 2.93Å; V308-T312 PolarHBondContact O-OG1 3.39Å; Y309-T312 PolarHBondContact O-N 2.66Å; N310-T312 VanDerWaalsContact C-N 3.34Å; N310-T312 PolarHBondContact O-N 3.3Å; T312-A315 PolarHBondContact O-N 3.16Å; T312-R316 WeakPolarHBondContact O-CB 3.3Å; T312-R316 PolarHBondContact O-N 3.42Å
313	K	98.9	Very high	98.7	Very high	75 Å²	75	32.8 Å²	32.8	33%	0.326	16%	0.16	S	C	.	.	H	α-helix	trans	-65.1	-44	-178.4	-170.6	64.7	175.5	178.7	0	111	A149 E151 Y309 N310 R317	A149-K313 HydrophobicContact CB-CB 3.88Å; A149-K313 HydrophobicContact CB-CD 4.25Å; A149-K313 VanDerWaalsContact O-CD 3.24Å; A149-K313 WeakPolarHBondContact O-CD 3.44Å; E151-K313 IonicContact OE1-NZ 2.94Å; Y309-K313 HydrophobicContact CE1-CB 4.39Å; Y309-K313 VanDerWaalsContact O-CB 3.26Å; Y309-K313 WeakPolarHBondContact O-CB 3.39Å; Y309-K313 PolarHBondContact O-N 3.02Å; N310-K313 PolarHBondContact O-N 3.02Å; K313-R317 WeakPolarHBondContact O-CB 3.46Å; K313-R317 PolarHBondContact O-N 2.92Å
314	E	98.9	Very high	98.6	Very high	84 Å²	84	35.2 Å²	35.2	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-71.1	-43.7	177.9	-179.4	56.9	-167.5	0	0	111.9	N310 R316 R317 R318	N310-E314 PolarHBondContact O-N 2.87Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.18Å; E314-R317 PolarHBondContact O-N 3.31Å; E314-R317 IonicContact OE1-CZ 4Å; E314-R317 IonicContact OE1-NE 2.85Å; E314-R317 IonicContact OE1-NH2 2.76Å; E314-R317 PolarHBondContact OE1-NH2 3.03Å; E314-R317 IonicContact OE2-CZ 3.63Å; E314-R317 IonicContact OE2-NE 3.87Å; E314-R317 PolarHBondContact OE2-NE 2.92Å; E314-R317 IonicContact OE2-NH2 3.17Å; E314-R318 WeakPolarHBondContact O-CG 3.37Å; E314-R318 PolarHBondContact O-N 3.25Å; E314-R318 WeakPolarHBondContact OE1-CD 3.46Å; E314-R318 VanDerWaalsContact OE1-CG 3.3Å; E314-R318 WeakPolarHBondContact OE1-CG 3.46Å
315	A	98.9	Very high	98.6	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-43.3	173.9	0	0	0	0	0	111.3	I263 A311 T312 R318 A319 F326 I328	I263-A315 HydrophobicContact CD1-CB 4.1Å; I263-A315 HydrophobicContact CG1-CB 4.18Å; I263-A315 HydrophobicContact CG2-CB 4.31Å; A311-A315 WeakPolarHBondContact O-CB 3.45Å; A311-A315 PolarHBondContact O-N 3.25Å; T312-A315 PolarHBondContact O-N 3.16Å; A315-R318 PolarHBondContact O-N 2.86Å; A315-A319 WeakPolarHBondContact O-CB 3.39Å; A315-A319 PolarHBondContact O-N 3.41Å; A315-F326 HydrophobicContact CB-CB 3.79Å; A315-F326 HydrophobicContact CB-CD1 4.1Å; A315-F326 HydrophobicContact CB-CG 3.92Å; A315-I328 HydrophobicContact CB-CD1 3.95Å
316	R	98.8	Very high	98.6	Very high	35 Å²	35	36.2 Å²	36.2	13%	0.132	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-46.6	176.7	-171.9	-105.2	176.8	-129	-15.3	112.2	L150 D154 N231 A233 I263 T312 E314 R318 V320	L150-R316 HydrophobicContact CD2-CB 4.49Å; L150-R316 HydrophobicContact CD2-CG 4.14Å; D154-R316 IonicContact OD1-CZ 2.78Å; D154-R316 IonicContact OD1-NE 3.78Å; D154-R316 IonicContact OD1-NH2 2.78Å; D154-R316 PolarHBondContact OD1-NH2 3.4Å; D154-R316 VanDerWaalsContact OD1-NH2 3.11Å; D154-R316 IonicContact OD2-CZ 3.83Å; D154-R316 IonicContact OD2-NE 3.32Å; D154-R316 PolarHBondContact OD2-NE 2.91Å; D154-R316 IonicContact OD2-NH2 3.18Å; D154-R316 PolarHBondContact OD2-NH2 3.41Å; N231-R316 PolarHBondContact O-NH2 3.33Å; A233-R316 HydrophobicContact CB-CG 4Å; I263-R316 HydrophobicContact CD1-CB 3.76Å; I263-R316 HydrophobicContact CD1-CG 4.44Å; T312-R316 WeakPolarHBondContact O-CB 3.3Å; T312-R316 PolarHBondContact O-N 3.42Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.18Å; R316-R318 VanDerWaalsContact C-N 3.34Å; R316-R318 PolarHBondContact O-N 3.25Å; R316-V320 WeakPolarHBondContact O-CG2 3.33Å; R316-V320 PolarHBondContact O-N 3.39Å
317	R	98.8	Very high	98.6	Very high	128 Å²	128	36.2 Å²	36.2	48%	0.483	18%	0.175	S	C	.	.	H	α-helix	trans	-57.2	-48.2	178.1	-171.4	-166.2	68.6	74.1	-1.8	111	K313 E314 A321	K313-R317 WeakPolarHBondContact O-CB 3.46Å; K313-R317 PolarHBondContact O-N 2.92Å; E314-R317 PolarHBondContact O-N 3.31Å; E314-R317 IonicContact OE1-CZ 4Å; E314-R317 IonicContact OE1-NE 2.85Å; E314-R317 IonicContact OE1-NH2 2.76Å; E314-R317 PolarHBondContact OE1-NH2 3.03Å; E314-R317 IonicContact OE2-CZ 3.63Å; E314-R317 IonicContact OE2-NE 3.87Å; E314-R317 PolarHBondContact OE2-NE 2.92Å; E314-R317 IonicContact OE2-NH2 3.17Å; R317-A321 WeakPolarHBondContact O-CB 3.45Å; R317-A321 PolarHBondContact O-N 3.38Å
318	R	98.7	Very high	98.6	Very high	69 Å²	69	36.2 Å²	36.2	26%	0.26	18%	0.175	S	C	.	.	H	α-helix	trans	-76	-41	-177.3	-67.4	-171.2	65.4	-166.9	-6.2	113.2	E314 A315 R316 V320 A321 E322 F326	E314-R318 WeakPolarHBondContact O-CG 3.37Å; E314-R318 PolarHBondContact O-N 3.25Å; E314-R318 WeakPolarHBondContact OE1-CD 3.46Å; E314-R318 VanDerWaalsContact OE1-CG 3.3Å; E314-R318 WeakPolarHBondContact OE1-CG 3.46Å; A315-R318 PolarHBondContact O-N 2.86Å; R316-R318 VanDerWaalsContact C-N 3.34Å; R316-R318 PolarHBondContact O-N 3.25Å; R318-V320 VanDerWaalsContact C-N 3.26Å; R318-V320 PolarHBondContact O-N 2.97Å; R318-A321 PolarHBondContact O-N 3.29Å; R318-A321 VanDerWaalsContact O-N 3.15Å; R318-E322 WeakPolarHBondContact CG-OE1 3.4Å; R318-E322 IonicContact CZ-OE1 2.79Å; R318-E322 IonicContact CZ-OE2 3.1Å; R318-E322 IonicContact NE-OE1 3.27Å; R318-E322 PolarHBondContact NE-OE1 3.34Å; R318-E322 IonicContact NE-OE2 2.87Å; R318-E322 PolarHBondContact NE-OE2 2.86Å; R318-E322 IonicContact NH2-OE1 2.74Å; R318-E322 IonicContact NH2-OE2 3.55Å; R318-E322 PolarHBondContact NH2-OE2 2.92Å; R318-E322 VanDerWaalsContact O-CB 3.25Å; R318-E322 WeakPolarHBondContact O-CB 3.34Å; R318-E322 PolarHBondContact O-N 3.07Å; R318-F326 HydrophobicContact CB-CE1 4.09Å; R318-F326 HydrophobicContact CB-CE2 3.54Å; R318-F326 HydrophobicContact CB-CZ 3.23Å; R318-F326 HydrophobicContact CG-CZ 4.14Å
319	A	98.3	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.5	-44.4	178.2	0	0	0	0	0	111.4	P261 I263 A315 N323 Q324 F326	P261-A319 WeakPolarHBondContact CA-O 3.49Å; P261-A319 VanDerWaalsContact CB-O 3.27Å; P261-A319 WeakPolarHBondContact CB-O 3.46Å; I263-A319 HydrophobicContact CG1-CB 4.47Å; A315-A319 WeakPolarHBondContact O-CB 3.39Å; A315-A319 PolarHBondContact O-N 3.41Å; A319-N323 VanDerWaalsContact O-CA 3.28Å; A319-N323 WeakPolarHBondContact O-CA 3.47Å; A319-N323 PolarHBondContact O-N 2.89Å; A319-Q324 WeakPolarHBondContact CA-O 3.45Å; A319-F326 HydrophobicContact CB-CD2 3.89Å; A319-F326 HydrophobicContact CB-CE2 4.23Å
320	V	97.7	Very high	98.6	Very high	23 Å²	23	34.6 Å²	34.6	14%	0.139	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-40.4	177.8	177.1	0	0	0	0	112.2	N231 A233 R316 R318	N231-V320 HydrophobicContact CB-CG1 4.17Å; A233-V320 HydrophobicContact CB-CG2 3.83Å; R316-V320 WeakPolarHBondContact O-CG2 3.33Å; R316-V320 PolarHBondContact O-N 3.39Å; R318-V320 VanDerWaalsContact C-N 3.26Å; R318-V320 PolarHBondContact O-N 2.97Å
321	A	98	Very high	98.6	Very high	70 Å²	70	35.9 Å²	35.9	58%	0.579	18%	0.175	S	C	*	.	H	α-helix	trans	-74.9	-34.2	-177	0	0	0	0	0	113.4	R317 R318	R317-A321 WeakPolarHBondContact O-CB 3.45Å; R317-A321 PolarHBondContact O-N 3.38Å; R318-A321 PolarHBondContact O-N 3.29Å; R318-A321 VanDerWaalsContact O-N 3.15Å
322	E	98	Very high	98.6	Very high	74 Å²	74	35.9 Å²	35.9	35%	0.346	17%	0.174	S	C	.	.	H	α-helix	trans	-111.2	-5	-167.7	-60.5	162.5	-151.6	0	0	111.9	R318 Q324	R318-E322 WeakPolarHBondContact CG-OE1 3.4Å; R318-E322 IonicContact CZ-OE1 2.79Å; R318-E322 IonicContact CZ-OE2 3.1Å; R318-E322 IonicContact NE-OE1 3.27Å; R318-E322 PolarHBondContact NE-OE1 3.34Å; R318-E322 IonicContact NE-OE2 2.87Å; R318-E322 PolarHBondContact NE-OE2 2.86Å; R318-E322 IonicContact NH2-OE1 2.74Å; R318-E322 IonicContact NH2-OE2 3.55Å; R318-E322 PolarHBondContact NH2-OE2 2.92Å; R318-E322 VanDerWaalsContact O-CB 3.25Å; R318-E322 WeakPolarHBondContact O-CB 3.34Å; R318-E322 PolarHBondContact O-N 3.07Å; E322-Q324 HydrophobicContact CB-CG 3.99Å; E322-Q324 PolarHBondContact O-N 3.18Å; E322-Q324 PolarHBondContact OE2-NE2 3.3Å
323	N	98.2	Very high	98.6	Very high	52 Å²	52	36.2 Å²	36.2	28%	0.278	18%	0.175	S	C	.	.			trans	48.7	44.9	-175.1	-73.4	-55.7	0	0	0	112.2	K226 E259 C260 A319	K226-N323 HydrophobicContact CD-CB 3.88Å; K226-N323 WeakPolarHBondContact CD-OD1 3.31Å; K226-N323 WeakPolarHBondContact CG-OD1 3.36Å; E259-N323 CarbonylContact C-O 3.6Å; E259-N323 WeakPolarHBondContact CA-O 3.32Å; E259-N323 WeakPolarHBondContact CB-O 3.24Å; C260-N323 PolarHBondContact N-O 3.26Å; A319-N323 VanDerWaalsContact O-CA 3.28Å; A319-N323 WeakPolarHBondContact O-CA 3.47Å; A319-N323 PolarHBondContact O-N 2.89Å
324	Q	97.6	Very high	98.5	Very high	53 Å²	53	32.7 Å²	32.7	25%	0.248	16%	0.16	C	C	.	.			trans	-128.9	147.4	179.2	72.4	177.5	-60.9	0	0	111.7	C260 A319 E322 F326	C260-Q324 CarbonylContact O-C 3.53Å; A319-Q324 WeakPolarHBondContact CA-O 3.45Å; E322-Q324 HydrophobicContact CB-CG 3.99Å; E322-Q324 PolarHBondContact O-N 3.18Å; E322-Q324 PolarHBondContact OE2-NE2 3.3Å; Q324-F326 HydrophobicContact CG-CD2 4.41Å; Q324-F326 HydrophobicContact CG-CE2 3.61Å; Q324-F326 HydrophobicContact CG-CZ 4.14Å; Q324-F326 WeakPolarHBondContact O-CD2 3.4Å
325	P	98.6	Very high	98.4	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.026	15%	0.146	C	C	.	.			trans	-75.6	145.8	-179.7	32	-37.9	0	0	0	112.3	S255 A256 L262 F264 M295	S255-P325 WeakPolarHBondContact OG-CB 3.37Å; S255-P325 WeakPolarHBondContact OG-CG 3.38Å; A256-P325 HydrophobicContact CB-CG 4.22Å; L262-P325 CarbonylContact O-C 3.58Å; L262-P325 VanDerWaalsContact O-CA 3.25Å; L262-P325 WeakPolarHBondContact O-CA 3.22Å; F264-P325 HydrophobicContact CE2-CB 4.25Å; M295-P325 HydrophobicContact CB-CG 4.4Å; M295-P325 HydrophobicContact CG-CB 4.31Å; M295-P325 HydrophobicContact CG-CG 3.71Å; M295-P325 HydrophobicContact SD-CB 4.01Å; M295-P325 HydrophobicContact SD-CG 3.98Å
326	F	98.9	Very high	98.3	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.7	172.7	-75	-100.2	0	0	0	110.2	L262 I263 F264 L296 A315 R318 A319 Q324	L262-F326 PolarHBondContact O-N 2.94Å; I263-F326 CarbonylContact C-O 3.17Å; I263-F326 WeakPolarHBondContact CA-O 3.38Å; F264-F326 PolarHBondContact N-O 2.81Å; L296-F326 HydrophobicContact CB-CD1 3.76Å; L296-F326 HydrophobicContact CB-CE1 3.64Å; L296-F326 HydrophobicContact CB-CZ 4.29Å; L296-F326 HydrophobicContact CD1-CD1 4.39Å; L296-F326 HydrophobicContact CD1-CE1 3.47Å; L296-F326 VanDerWaalsContact CD1-CE1 3.47Å; L296-F326 HydrophobicContact CD1-CE2 4.4Å; L296-F326 HydrophobicContact CD1-CZ 3.45Å; L296-F326 VanDerWaalsContact CD1-CZ 3.45Å; L296-F326 HydrophobicContact CG-CE1 4.21Å; L296-F326 HydrophobicContact CG-CZ 4.47Å; L296-F326 CarbonylContact O-C 3.53Å; L296-F326 WeakPolarHBondContact O-CA 3.14Å; A315-F326 HydrophobicContact CB-CB 3.79Å; A315-F326 HydrophobicContact CB-CD1 4.1Å; A315-F326 HydrophobicContact CB-CG 3.92Å; R318-F326 HydrophobicContact CB-CE1 4.09Å; R318-F326 HydrophobicContact CB-CE2 3.54Å; R318-F326 HydrophobicContact CB-CZ 3.23Å; R318-F326 HydrophobicContact CG-CZ 4.14Å; A319-F326 HydrophobicContact CB-CD2 3.89Å; A319-F326 HydrophobicContact CB-CE2 4.23Å; Q324-F326 HydrophobicContact CG-CD2 4.41Å; Q324-F326 HydrophobicContact CG-CE2 3.61Å; Q324-F326 HydrophobicContact CG-CZ 4.14Å; Q324-F326 WeakPolarHBondContact O-CD2 3.4Å
327	L	98.9	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.2	173.6	175.5	63.1	0	0	0	110.3	F238 F264 C266 I286 M295 L296 S297 I298	F238-L327 HydrophobicContact CZ-CD1 4.17Å; F264-L327 HydrophobicContact CB-CD1 3.67Å; C266-L327 HydrophobicContact CB-CD1 4.48Å; I286-L327 HydrophobicContact CG2-CD1 4.39Å; I286-L327 HydrophobicContact CG2-CD2 4.31Å; I286-L327 WeakPolarHBondContact O-CD2 3.25Å; M295-L327 HydrophobicContact CE-CB 4.46Å; M295-L327 HydrophobicContact CE-CD2 4.39Å; L296-L327 PolarHBondContact O-N 3.28Å; S297-L327 CarbonylContact C-O 3.54Å; S297-L327 VanDerWaalsContact CA-O 3.27Å; S297-L327 WeakPolarHBondContact CA-O 3.28Å; I298-L327 PolarHBondContact N-O 2.87Å
328	I	99	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.9	171.4	-58	176.7	0	0	0	107.7	I263 F264 F265 C266 I298 V300 A311 A315	I263-I328 HydrophobicContact CG2-CD1 3.92Å; I263-I328 HydrophobicContact CG2-CG1 4.27Å; F264-I328 PolarHBondContact O-N 3.05Å; F265-I328 CarbonylContact C-O 3.59Å; F265-I328 HydrophobicContact CD2-CB 4.14Å; F265-I328 HydrophobicContact CD2-CD1 4.28Å; F265-I328 HydrophobicContact CD2-CG2 4.14Å; F265-I328 HydrophobicContact CE2-CB 4.42Å; F265-I328 HydrophobicContact CE2-CD1 4.49Å; F265-I328 HydrophobicContact CE2-CG2 3.93Å; F265-I328 HydrophobicContact CZ-CG2 4.44Å; C266-I328 PolarHBondContact N-O 3.05Å; I298-I328 HydrophobicContact CG2-CB 4.33Å; I298-I328 HydrophobicContact CG2-CG1 3.82Å; I298-I328 HydrophobicContact CG2-CG2 4.37Å; I298-I328 WeakPolarHBondContact O-CA 3.45Å; V300-I328 HydrophobicContact CG1-CG2 4.18Å; V300-I328 HydrophobicContact CG2-CG2 3.83Å; A311-I328 HydrophobicContact CB-CD1 4.2Å; A315-I328 HydrophobicContact CB-CD1 3.95Å
329	E	98.9	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	106.4	166.6	-173.4	178.6	-147.7	0	0	109.3	C266 N268 I286 A287 I298 R299 V300 M331	C266-E329 HydrophobicContact CB-CG 4.47Å; C266-E329 CarbonylContact O-C 3.6Å; C266-E329 WeakPolarHBondContact O-CA 3.34Å; N268-E329 HydrophobicContact CB-CG 3.97Å; N268-E329 PolarHBondContact ND2-OE1 3.44Å; I286-E329 HydrophobicContact CB-CG 4.39Å; I286-E329 VanDerWaalsContact N-CD 3.31Å; I286-E329 PolarHBondContact N-OE1 2.89Å; I286-E329 PolarHBondContact N-OE2 3.34Å; A287-E329 HydrophobicContact CB-CB 3.85Å; A287-E329 VanDerWaalsContact CB-OE2 3.26Å; A287-E329 WeakPolarHBondContact CB-OE2 3.37Å; A287-E329 PolarHBondContact N-OE2 3.37Å; I298-E329 PolarHBondContact O-N 3.13Å; R299-E329 CarbonylContact C-O 3.55Å; R299-E329 VanDerWaalsContact CA-O 3.28Å; R299-E329 WeakPolarHBondContact CA-O 3.32Å; R299-E329 HydrophobicContact CG-CB 4.47Å; R299-E329 IonicContact CZ-OE2 3.42Å; R299-E329 VanDerWaalsContact CZ-OE2 3.28Å; R299-E329 IonicContact NE-OE2 3.89Å; R299-E329 PolarHBondContact NE-OE2 3.28Å; R299-E329 IonicContact NH2-OE2 2.76Å; R299-E329 PolarHBondContact NH2-OE2 2.85Å; V300-E329 PolarHBondContact N-O 2.92Å; E329-M331 HydrophobicContact CG-SD 3.82Å
330	A	98.9	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.4	174.4	0	0	0	0	0	109.9	T142 F265 C266 N268 V300	T142-A330 HydrophobicContact CG2-CB 3.79Å; F265-A330 HydrophobicContact CE1-CB 3.58Å; F265-A330 HydrophobicContact CZ-CB 3.68Å; C266-A330 PolarHBondContact O-N 3.24Å; N268-A330 PolarHBondContact N-O 3.42Å; V300-A330 HydrophobicContact CG2-CB 3.75Å
331	M	98.9	Very high	98.1	Very high	55 Å²	55	27 Å²	27	27%	0.271	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.7	176.1	-54.4	-52.7	-59.5	0	0	109.2	V80 N268 R299 V300 G302 E329	V80-M331 HydrophobicContact CG1-CG 4.41Å; V80-M331 HydrophobicContact CG2-CG 4.21Å; N268-M331 HydrophobicContact CB-CE 4.06Å; N268-M331 HydrophobicContact CB-SD 3.93Å; R299-M331 HydrophobicContact CG-CG 3.55Å; R299-M331 HydrophobicContact CG-SD 3.88Å; V300-M331 PolarHBondContact O-N 3.16Å; G302-M331 VanDerWaalsContact CA-O 3.26Å; G302-M331 WeakPolarHBondContact CA-O 3.44Å; G302-M331 PolarHBondContact N-O 2.75Å; E329-M331 HydrophobicContact CG-SD 3.82Å
332	T	98.6	Very high	98	Very high	10 Å²	10	24.9 Å²	24.9	6%	0.061	14%	0.135	C	C	.	.			trans	-143.5	-168.6	179.1	-173.7	0	0	0	0	109.3	G138 E139 N268 N269 N303	G138-T332 PolarHBondContact O-OG1 3.2Å; E139-T332 HydrophobicContact CG-CG2 3.94Å; N268-T332 PolarHBondContact O-N 2.79Å; N269-T332 WeakPolarHBondContact CA-O 3.42Å; N269-T332 HydrophobicContact CB-CG2 3.7Å; N303-T332 PolarHBondContact OD1-OG1 2.94Å; N303-T332 VanDerWaalsContact OD1-OG1 3.06Å
333	Y	98.3	Very high	97.8	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.031	14%	0.142	C	C	.	.			trans	-138.7	133.7	174.8	-174.5	-95.3	0	0	0	111	Y271 I335 E352 V353 W356	Y271-Y333 HydrophobicContact CE2-CE2 4.2Å; Y333-I335 HydrophobicContact CD1-CG1 3.96Å; Y333-I335 PolarHBondContact O-N 3.49Å; Y333-E352 HydrophobicContact CE2-CG 3.96Å; Y333-E352 VanDerWaalsContact CE2-OE1 3.32Å; Y333-E352 WeakPolarHBondContact CE2-OE1 3.32Å; Y333-E352 WeakPolarHBondContact OH-CG 3.34Å; Y333-E352 PolarHBondContact OH-OE1 3.03Å; Y333-V353 HydrophobicContact CE1-CB 4.39Å; Y333-V353 HydrophobicContact CE1-CG2 4.09Å; Y333-V353 WeakPolarHBondContact OH-CG2 3.42Å; Y333-W356 HydrophobicContact CD1-CB 3.47Å; Y333-W356 VanDerWaalsContact CD1-CB 3.47Å; Y333-W356 AromaticContact CD1-CD1 3.33Å; Y333-W356 HydrophobicContact CD1-CD2 4.23Å; Y333-W356 AromaticContact CD1-CG 3.4Å; Y333-W356 HydrophobicContact CD1-CG 3.4Å; Y333-W356 AromaticContact CD2-CD1 3.27Å; Y333-W356 HydrophobicContact CD2-CD2 4.11Å; Y333-W356 AromaticContact CD2-CE2 3.7Å; Y333-W356 AromaticContact CD2-CG 3.87Å; Y333-W356 HydrophobicContact CD2-CG 3.87Å; Y333-W356 HydrophobicContact CD2-CZ2 4.44Å; Y333-W356 AromaticContact CD2-NE1 3.15Å; Y333-W356 HydrophobicContact CE1-CB 4.1Å; Y333-W356 AromaticContact CE1-CD1 3.57Å; Y333-W356 HydrophobicContact CE1-CG 4.03Å; Y333-W356 AromaticContact CE2-CD1 3.5Å; Y333-W356 HydrophobicContact CE2-CG 4.43Å; Y333-W356 AromaticContact CE2-NE1 3.55Å; Y333-W356 HydrophobicContact CG-CB 3.86Å; Y333-W356 AromaticContact CG-CD1 3.16Å; Y333-W356 AromaticContact CG-CD2 3.66Å; Y333-W356 HydrophobicContact CG-CD2 3.66Å; Y333-W356 AromaticContact CG-CE2 3.75Å; Y333-W356 AromaticContact CG-CG 3.28Å; Y333-W356 HydrophobicContact CG-CG 3.28Å; Y333-W356 AromaticContact CG-NE1 3.45Å; Y333-W356 AromaticContact CZ-CD1 3.64Å
334	R	97.9	Very high	97.7	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	13%	0.132	C	C	.	.			trans	-77.2	86.7	178.9	-163.5	-176.4	77.2	-156.7	5.2	110.2	N269 Y271 I273 G336 Y347 R348	N269-R334 HydrophobicContact CB-CB 4.02Å; N269-R334 PolarHBondContact O-N 2.74Å; Y271-R334 PolarHBondContact O-NH1 3.36Å; I273-R334 PolarHBondContact O-NH1 3.49Å; I273-R334 PolarHBondContact O-NH2 3.24Å; R334-G336 PolarHBondContact O-N 3.37Å; R334-Y347 PolarHBondContact NH2-OH 3.1Å; R334-R348 VanDerWaalsContact O-CZ 3.26Å; R334-R348 PolarHBondContact O-NH1 3.06Å; R334-R348 PolarHBondContact O-NH2 2.9Å; R334-R348 VanDerWaalsContact O-NH2 3.07Å
335	I	97.3	Very high	97.5	Very high	18 Å²	18	24.6 Å²	24.6	9%	0.092	14%	0.144	C	C	.	.			trans	-63.4	-46.6	-175.1	-63.7	172.6	0	0	0	111	Y137 Y333 R348 V353 W356 D357	Y137-I335 PolarHBondContact O-N 3.27Å; Y333-I335 HydrophobicContact CD1-CG1 3.96Å; Y333-I335 PolarHBondContact O-N 3.49Å; I335-R348 PolarHBondContact O-NH2 3.39Å; I335-V353 HydrophobicContact CG2-CG1 4.15Å; I335-V353 WeakPolarHBondContact O-CG1 3.45Å; I335-W356 HydrophobicContact CG1-CB 4.26Å; I335-D357 HydrophobicContact CD1-CB 4.47Å; I335-D357 HydrophobicContact CG2-CB 4.05Å
336	G	96	Very high	97.4	Very high	10 Å²	10	28.4 Å²	28.4	10%	0.103	18%	0.176	C	C	.	.	S	Bend	trans	-73.1	171.2	176.9	0	0	0	0	0	113.9	R334 R348	R334-G336 PolarHBondContact O-N 3.37Å; G336-R348 PolarHBondContact O-NH2 2.9Å
337	H	97.4	Very high	97.2	Very high	54 Å²	54	30.5 Å²	30.5	25%	0.25	18%	0.184	C	C	.	.			trans	-55	162.7	165.6	-63	-78.1	0	0	0	111.7	Y122 S339 D342 D343 S344	Y122-H337 PolarHBondContact OH-CD2 3.45Å; H337-S339 VanDerWaalsContact C-N 3.33Å; H337-D342 PolarHBondContact ND1-O 3.36Å; H337-D343 IonicContact CE1-OD1 3.31Å; H337-S344 PolarHBondContact ND1-N 3.13Å; H337-S344 PolarHBondContact ND1-OG 3.33Å
338	H	97.9	Very high	97	Very high	27 Å²	27	31.1 Å²	31.1	13%	0.125	19%	0.186	C	C	.	.	S	Bend	trans	-58.9	-48.5	171.4	176.4	71.8	0	0	0	110.6	M134 R161 I273 D342	M134-H338 WeakPolarHBondContact CE-O 3.49Å; R161-H338 PolarHBondContact NH2-O 3.48Å; I273-H338 HydrophobicContact CG2-CB 4.4Å; H338-D342 HydrophobicContact CB-CB 3.79Å; H338-D342 WeakPolarHBondContact CB-OD2 3.26Å; H338-D342 PolarHBondContact N-OD2 2.84Å
339	S	98.1	Very high	96.8	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.063	21%	0.206	C	C	.	.	S	Bend	trans	-155.4	-177.7	174.2	69.5	0	0	0	0	109.3	F132 H337 S341 D342	F132-S339 VanDerWaalsContact CE2-CB 3.46Å; H337-S339 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 3.45Å; S339-S341 VanDerWaalsContact O-N 3.14Å; S339-S341 PolarHBondContact OG-N 3Å; S339-S341 VanDerWaalsContact OG-N 3.11Å; S339-D342 PolarHBondContact O-N 2.95Å; S339-D342 VanDerWaalsContact O-N 3.15Å
340	T	97.8	Very high	96.5	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.043	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.2	170.3	53.7	0	0	0	0	114.8	Y122 Q125 R126 Y133	Y122-T340 HydrophobicContact CD2-CG2 3.58Å; Y122-T340 HydrophobicContact CE2-CG2 3.63Å; Q125-T340 HydrophobicContact CB-CG2 3.93Å; Q125-T340 VanDerWaalsContact CD-OG1 3.32Å; Q125-T340 HydrophobicContact CG-CG2 3.73Å; R126-T340 PolarHBondContact NH2-O 3.1Å; Y133-T340 PolarHBondContact N-OG1 3.2Å; Y133-T340 VanDerWaalsContact N-OG1 3.11Å; Y133-T340 WeakPolarHBondContact O-CG2 3.32Å; Y133-T340 PolarHBondContact O-N 3.18Å; Y133-T340 PolarHBondContact O-OG1 3.39Å
341	S	95.8	Very high	96.2	Very high	98 Å²	98	44.3 Å²	44.3	69%	0.685	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	5.6	174.7	-52.1	0	0	0	0	112.7	S339	S339-S341 PolarHBondContact O-N 3.45Å; S339-S341 VanDerWaalsContact O-N 3.14Å; S339-S341 PolarHBondContact OG-N 3Å; S339-S341 VanDerWaalsContact OG-N 3.11Å
342	D	96.2	Very high	95.9	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	27%	0.265	C	S	.	.			trans	-119	140.1	-176	169.2	66.6	0	0	0	110.9	H337 H338 S339 Y347	H337-D342 PolarHBondContact ND1-O 3.36Å; H338-D342 HydrophobicContact CB-CB 3.79Å; H338-D342 WeakPolarHBondContact CB-OD2 3.26Å; H338-D342 PolarHBondContact N-OD2 2.84Å; S339-D342 PolarHBondContact O-N 2.95Å; S339-D342 VanDerWaalsContact O-N 3.15Å; D342-Y347 WeakPolarHBondContact OD1-CE1 3.43Å; D342-Y347 PolarHBondContact OD1-OH 3.45Å; D342-Y347 PolarHBondContact OD2-OH 2.85Å
343	D	95.4	Very high	95.7	Very high	91 Å²	91	45.4 Å²	45.4	49%	0.487	27%	0.27	S	S	.	.			trans	-115.3	109.6	165.1	-177.1	-2.7	0	0	0	108.7	H337 S345 A346 Y347	H337-D343 IonicContact CE1-OD1 3.31Å; D343-S345 VanDerWaalsContact C-N 3.3Å; D343-S345 VanDerWaalsContact CG-OG 3.26Å; D343-S345 PolarHBondContact O-N 3.49Å; D343-S345 WeakPolarHBondContact OD1-CB 3.43Å; D343-S345 PolarHBondContact OD1-N 2.87Å; D343-S345 PolarHBondContact OD1-OG 2.98Å; D343-S345 PolarHBondContact OD2-OG 3.45Å; D343-A346 WeakPolarHBondContact O-CB 3.5Å; D343-A346 PolarHBondContact O-N 2.88Å; D343-Y347 WeakPolarHBondContact O-CE1 3.26Å
344	S	94.9	Very high	95.5	Very high	11 Å²	11	47.7 Å²	47.7	8%	0.077	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-81.1	-15	-172.9	75.2	0	0	0	0	113	H337 A346 Y347 R348	H337-S344 PolarHBondContact ND1-N 3.13Å; H337-S344 PolarHBondContact ND1-OG 3.33Å; S344-A346 PolarHBondContact O-N 3.44Å; S344-A346 VanDerWaalsContact O-N 3.16Å; S344-Y347 VanDerWaalsContact CA-CZ 3.49Å; S344-Y347 WeakPolarHBondContact CB-OH 3.35Å; S344-Y347 PolarHBondContact O-N 2.84Å; S344-R348 VanDerWaalsContact CB-NE 3.32Å; S344-R348 WeakPolarHBondContact O-CG 3.43Å; S344-R348 PolarHBondContact O-N 3.45Å; S344-R348 VanDerWaalsContact O-N 3.11Å; S344-R348 PolarHBondContact OG-NE 3.11Å; S344-R348 VanDerWaalsContact OG-NE 3.17Å; S344-R348 PolarHBondContact OG-NH2 3.34Å; S344-R348 VanDerWaalsContact OG-NH2 3.07Å
345	S	94.4	Very high	95.3	Very high	71 Å²	71	52.6 Å²	52.6	50%	0.497	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.7	174.5	71.1	0	0	0	0	112.6	D343 Y347	D343-S345 VanDerWaalsContact C-N 3.3Å; D343-S345 VanDerWaalsContact CG-OG 3.26Å; D343-S345 PolarHBondContact O-N 3.49Å; D343-S345 WeakPolarHBondContact OD1-CB 3.43Å; D343-S345 PolarHBondContact OD1-N 2.87Å; D343-S345 PolarHBondContact OD1-OG 2.98Å; D343-S345 PolarHBondContact OD2-OG 3.45Å; S345-Y347 VanDerWaalsContact C-N 3.32Å; S345-Y347 PolarHBondContact O-N 3.04Å
346	A	95.9	Very high	95.3	Very high	85 Å²	85	55 Å²	55	70%	0.702	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-72.1	-20	177.9	0	0	0	0	0	114.3	D343 S344	D343-A346 WeakPolarHBondContact O-CB 3.5Å; D343-A346 PolarHBondContact O-N 2.88Å; S344-A346 PolarHBondContact O-N 3.44Å; S344-A346 VanDerWaalsContact O-N 3.16Å
347	Y	95.3	Very high	95.2	Very high	60 Å²	60	57.7 Å²	57.7	24%	0.235	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	-2.2	-172.8	55.6	-100.3	0	0	0	115.3	Y271 I273 S274 R334 D342 D343 S344 S345	Y271-Y347 HydrophobicContact CD1-CD2 4.41Å; Y271-Y347 HydrophobicContact CD1-CE2 4.38Å; Y271-Y347 HydrophobicContact CE1-CD2 4.38Å; I273-Y347 VanDerWaalsContact O-CE2 3.32Å; I273-Y347 WeakPolarHBondContact O-CE2 3.35Å; I273-Y347 VanDerWaalsContact O-CZ 3.31Å; I273-Y347 PolarHBondContact O-OH 3.4Å; I273-Y347 VanDerWaalsContact O-OH 3.09Å; S274-Y347 VanDerWaalsContact CB-CD1 3.43Å; R334-Y347 PolarHBondContact NH2-OH 3.1Å; D342-Y347 WeakPolarHBondContact OD1-CE1 3.43Å; D342-Y347 PolarHBondContact OD1-OH 3.45Å; D342-Y347 PolarHBondContact OD2-OH 2.85Å; D343-Y347 WeakPolarHBondContact O-CE1 3.26Å; S344-Y347 VanDerWaalsContact CA-CZ 3.49Å; S344-Y347 WeakPolarHBondContact CB-OH 3.35Å; S344-Y347 PolarHBondContact O-N 2.84Å; S345-Y347 VanDerWaalsContact C-N 3.32Å; S345-Y347 PolarHBondContact O-N 3.04Å
348	R	94.6	Very high	94.9	Very high	14 Å²	14	61.8 Å²	61.8	5%	0.053	34%	0.339	C	S	.	.	S	Bend	trans	-144.8	155.3	171.4	60.4	174	-174.8	-175.3	3.8	111.5	Y271 R334 I335 G336 S344	Y271-R348 HydrophobicContact CE1-CB 4.27Å; R334-R348 VanDerWaalsContact O-CZ 3.26Å; R334-R348 PolarHBondContact O-NH1 3.06Å; R334-R348 PolarHBondContact O-NH2 2.9Å; R334-R348 VanDerWaalsContact O-NH2 3.07Å; I335-R348 PolarHBondContact O-NH2 3.39Å; G336-R348 PolarHBondContact O-NH2 2.9Å; S344-R348 VanDerWaalsContact CB-NE 3.32Å; S344-R348 WeakPolarHBondContact O-CG 3.43Å; S344-R348 PolarHBondContact O-N 3.45Å; S344-R348 VanDerWaalsContact O-N 3.11Å; S344-R348 PolarHBondContact OG-NE 3.11Å; S344-R348 VanDerWaalsContact OG-NE 3.17Å; S344-R348 PolarHBondContact OG-NH2 3.34Å; S344-R348 VanDerWaalsContact OG-NH2 3.07Å
349	S	93.8	Very high	94.6	Very high	58 Å²	58	65.7 Å²	65.7	41%	0.406	36%	0.357	S	S	.	.			trans	-76.4	145.3	-174.1	74.2	0	0	0	0	112.3	D351 E352 V353	S349-D351 PolarHBondContact O-N 2.9Å; S349-E352 PolarHBondContact O-N 3.15Å; S349-E352 WeakPolarHBondContact OG-CB 3.16Å; S349-E352 PolarHBondContact OG-N 3.25Å; S349-E352 VanDerWaalsContact OG-N 3.08Å; S349-V353 PolarHBondContact O-N 2.79Å
350	V	92.4	Very high	94.3	Very high	91 Å²	91	66 Å²	66	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-65.1	-31.2	172.8	175	0	0	0	0	111.1	V353 N354	V350-V353 PolarHBondContact O-N 3.36Å; V350-N354 WeakPolarHBondContact CG1-ND2 3.31Å; V350-N354 WeakPolarHBondContact O-CB 3.47Å; V350-N354 VanDerWaalsContact O-CG 3.25Å; V350-N354 PolarHBondContact O-N 2.82Å; V350-N354 PolarHBondContact O-ND2 3.38Å
351	D	93.3	Very high	94.4	Very high	128 Å²	128	66.3 Å²	66.3	68%	0.684	36%	0.359	S	S	*	.	H	α-helix	trans	-66.5	-41	178.1	-67.7	-28.9	0	0	0	112.5	S349 N354 Y355	S349-D351 PolarHBondContact O-N 2.9Å; D351-N354 PolarHBondContact O-N 2.87Å; D351-Y355 PolarHBondContact O-N 2.74Å
352	E	93.5	Very high	94.5	Very high	61 Å²	61	61.6 Å²	61.6	29%	0.285	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-47.8	172.6	-178.7	-169.6	167.7	0	0	110.9	Y271 Y333 S349 N354 Y355 W356	Y271-E352 WeakPolarHBondContact CE2-OE1 3.36Å; Y271-E352 PolarHBondContact OH-OE1 2.9Å; Y271-E352 PolarHBondContact OH-OE2 3.34Å; Y333-E352 HydrophobicContact CE2-CG 3.96Å; Y333-E352 VanDerWaalsContact CE2-OE1 3.32Å; Y333-E352 WeakPolarHBondContact CE2-OE1 3.32Å; Y333-E352 WeakPolarHBondContact OH-CG 3.34Å; Y333-E352 PolarHBondContact OH-OE1 3.03Å; S349-E352 PolarHBondContact O-N 3.15Å; S349-E352 WeakPolarHBondContact OG-CB 3.16Å; S349-E352 PolarHBondContact OG-N 3.25Å; S349-E352 VanDerWaalsContact OG-N 3.08Å; E352-N354 PolarHBondContact O-N 2.92Å; E352-Y355 WeakPolarHBondContact O-CB 3.12Å; E352-Y355 PolarHBondContact O-N 2.9Å; E352-W356 PolarHBondContact O-N 2.94Å
353	V	93.8	Very high	94.6	Very high	26 Å²	26	61.3 Å²	61.3	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-45.3	177.3	177.6	0	0	0	0	111.5	Y333 I335 S349 V350 Y355 W356 D357	Y333-V353 HydrophobicContact CE1-CB 4.39Å; Y333-V353 HydrophobicContact CE1-CG2 4.09Å; Y333-V353 WeakPolarHBondContact OH-CG2 3.42Å; I335-V353 HydrophobicContact CG2-CG1 4.15Å; I335-V353 WeakPolarHBondContact O-CG1 3.45Å; S349-V353 PolarHBondContact O-N 2.79Å; V350-V353 PolarHBondContact O-N 3.36Å; V353-Y355 VanDerWaalsContact C-N 3.29Å; V353-Y355 PolarHBondContact O-N 2.98Å; V353-W356 PolarHBondContact O-N 3.39Å; V353-D357 PolarHBondContact O-N 3.25Å
354	N	93.6	Very high	94.8	Very high	56 Å²	56	58.5 Å²	58.5	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-34.4	179.1	-80.3	-32	0	0	0	112.8	V350 D351 E352 K358	V350-N354 WeakPolarHBondContact CG1-ND2 3.31Å; V350-N354 WeakPolarHBondContact O-CB 3.47Å; V350-N354 VanDerWaalsContact O-CG 3.25Å; V350-N354 PolarHBondContact O-N 2.82Å; V350-N354 PolarHBondContact O-ND2 3.38Å; D351-N354 PolarHBondContact O-N 2.87Å; E352-N354 PolarHBondContact O-N 2.92Å; N354-K358 VanDerWaalsContact O-CB 3.31Å; N354-K358 WeakPolarHBondContact O-CB 3.34Å; N354-K358 WeakPolarHBondContact O-CG 3.28Å; N354-K358 PolarHBondContact O-N 3.18Å
355	Y	95.1	Very high	95	Very high	104 Å²	104	58.1 Å²	58.1	41%	0.408	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-52.1	174.2	170.8	-93.5	0	0	0	110.1	R86 D351 E352 V353 K358 Q359	R86-Y355 PolarHBondContact NH1-OH 2.91Å; D351-Y355 PolarHBondContact O-N 2.74Å; E352-Y355 WeakPolarHBondContact O-CB 3.12Å; E352-Y355 PolarHBondContact O-N 2.9Å; V353-Y355 VanDerWaalsContact C-N 3.29Å; V353-Y355 PolarHBondContact O-N 2.98Å; Y355-K358 PolarHBondContact O-N 3.37Å; Y355-Q359 HydrophobicContact CD2-CB 4.15Å; Y355-Q359 HydrophobicContact CD2-CG 3.8Å; Y355-Q359 HydrophobicContact CE2-CB 4.01Å; Y355-Q359 HydrophobicContact CE2-CG 4.01Å; Y355-Q359 HydrophobicContact CG-CG 4.45Å; Y355-Q359 WeakPolarHBondContact O-CA 2.9Å; Y355-Q359 WeakPolarHBondContact O-CB 3.43Å; Y355-Q359 VanDerWaalsContact O-CG 3.28Å; Y355-Q359 WeakPolarHBondContact O-CG 3.32Å; Y355-Q359 PolarHBondContact O-N 3.35Å
356	W	96.1	Very high	95.2	Very high	69 Å²	69	54.7 Å²	54.7	26%	0.261	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-46.3	-179	-71.1	104.4	0	0	0	112.6	Y333 I335 E352 V353 K358 D360	Y333-W356 HydrophobicContact CD1-CB 3.47Å; Y333-W356 VanDerWaalsContact CD1-CB 3.47Å; Y333-W356 AromaticContact CD1-CD1 3.33Å; Y333-W356 HydrophobicContact CD1-CD2 4.23Å; Y333-W356 AromaticContact CD1-CG 3.4Å; Y333-W356 HydrophobicContact CD1-CG 3.4Å; Y333-W356 AromaticContact CD2-CD1 3.27Å; Y333-W356 HydrophobicContact CD2-CD2 4.11Å; Y333-W356 AromaticContact CD2-CE2 3.7Å; Y333-W356 AromaticContact CD2-CG 3.87Å; Y333-W356 HydrophobicContact CD2-CG 3.87Å; Y333-W356 HydrophobicContact CD2-CZ2 4.44Å; Y333-W356 AromaticContact CD2-NE1 3.15Å; Y333-W356 HydrophobicContact CE1-CB 4.1Å; Y333-W356 AromaticContact CE1-CD1 3.57Å; Y333-W356 HydrophobicContact CE1-CG 4.03Å; Y333-W356 AromaticContact CE2-CD1 3.5Å; Y333-W356 HydrophobicContact CE2-CG 4.43Å; Y333-W356 AromaticContact CE2-NE1 3.55Å; Y333-W356 HydrophobicContact CG-CB 3.86Å; Y333-W356 AromaticContact CG-CD1 3.16Å; Y333-W356 AromaticContact CG-CD2 3.66Å; Y333-W356 HydrophobicContact CG-CD2 3.66Å; Y333-W356 AromaticContact CG-CE2 3.75Å; Y333-W356 AromaticContact CG-CG 3.28Å; Y333-W356 HydrophobicContact CG-CG 3.28Å; Y333-W356 AromaticContact CG-NE1 3.45Å; Y333-W356 AromaticContact CZ-CD1 3.64Å; I335-W356 HydrophobicContact CG1-CB 4.26Å; E352-W356 PolarHBondContact O-N 2.94Å; V353-W356 PolarHBondContact O-N 3.39Å; W356-K358 VanDerWaalsContact C-N 3.31Å; W356-K358 PolarHBondContact O-N 3.13Å; W356-D360 HydrophobicContact CE3-CB 3.98Å; W356-D360 HydrophobicContact CZ3-CB 4.18Å; W356-D360 CarbonylContact O-C 3.55Å; W356-D360 PolarHBondContact O-N 3.12Å; W356-D360 VanDerWaalsContact O-N 3.13Å; W356-D360 VanDerWaalsContact O-O 3.1Å
357	D	93.1	Very high	95.3	Very high	67 Å²	67	54.1 Å²	54.1	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-59.3	-40.3	179.7	-174.9	59.5	0	0	0	113	I335 V353 H361	I335-D357 HydrophobicContact CD1-CB 4.47Å; I335-D357 HydrophobicContact CG2-CB 4.05Å; V353-D357 PolarHBondContact O-N 3.25Å; D357-H361 IonicContact OD1-CD2 3.88Å
358	K	92.1	Very high	95.5	Very high	140 Å²	140	55.3 Å²	55.3	61%	0.609	27%	0.272	S	S	*	.	H	α-helix	trans	-93.8	-33	-174.4	-64.2	178.7	-178.4	172.4	0	114.2	N354 Y355 W356	N354-K358 VanDerWaalsContact O-CB 3.31Å; N354-K358 WeakPolarHBondContact O-CB 3.34Å; N354-K358 WeakPolarHBondContact O-CG 3.28Å; N354-K358 PolarHBondContact O-N 3.18Å; Y355-K358 PolarHBondContact O-N 3.37Å; W356-K358 VanDerWaalsContact C-N 3.31Å; W356-K358 PolarHBondContact O-N 3.13Å
359	Q	90.9	Very high	95.7	Very high	109 Å²	109	54.8 Å²	54.8	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-103.6	-29	-169.5	-52.2	-59.5	-32.7	0	0	113.4	Y355	Y355-Q359 HydrophobicContact CD2-CB 4.15Å; Y355-Q359 HydrophobicContact CD2-CG 3.8Å; Y355-Q359 HydrophobicContact CE2-CB 4.01Å; Y355-Q359 HydrophobicContact CE2-CG 4.01Å; Y355-Q359 HydrophobicContact CG-CG 4.45Å; Y355-Q359 WeakPolarHBondContact O-CA 2.9Å; Y355-Q359 WeakPolarHBondContact O-CB 3.43Å; Y355-Q359 VanDerWaalsContact O-CG 3.28Å; Y355-Q359 WeakPolarHBondContact O-CG 3.32Å; Y355-Q359 PolarHBondContact O-N 3.35Å
360	D	93.4	Very high	95.9	Very high	16 Å²	16	52 Å²	52	9%	0.086	25%	0.251	C	S	.	.	S	Bend	trans	-150.8	77.1	-172.1	-156.8	-20.7	0	0	0	111.5	R86 N303 W356 R365	R86-D360 WeakPolarHBondContact CD-OD2 3.43Å; R86-D360 HydrophobicContact CG-CB 4.46Å; N303-D360 PolarHBondContact ND2-O 3.46Å; N303-D360 PolarHBondContact ND2-OD1 3.25Å; W356-D360 HydrophobicContact CE3-CB 3.98Å; W356-D360 HydrophobicContact CZ3-CB 4.18Å; W356-D360 CarbonylContact O-C 3.55Å; W356-D360 PolarHBondContact O-N 3.12Å; W356-D360 VanDerWaalsContact O-N 3.13Å; W356-D360 VanDerWaalsContact O-O 3.1Å; D360-R365 VanDerWaalsContact OD1-CD 3.31Å; D360-R365 WeakPolarHBondContact OD1-CD 3.43Å; D360-R365 IonicContact OD1-CZ 3.52Å; D360-R365 IonicContact OD1-NH1 3.6Å; D360-R365 PolarHBondContact OD1-NH1 3.42Å
361	H	98.4	Very high	96.2	Very high	12 Å²	12	51 Å²	51	6%	0.056	25%	0.245	C	C	.	.			trans	-120.6	136.2	179.4	-172.3	-45.7	0	0	0	109.9	E140 D357 I363 S364 R365	E140-H361 IonicContact OE1-CE1 2.75Å; E140-H361 IonicContact OE1-NE2 2.83Å; E140-H361 IonicContact OE2-CE1 3.11Å; E140-H361 PolarHBondContact OE2-CE1 3.03Å; D357-H361 IonicContact OD1-CD2 3.88Å; H361-I363 PolarHBondContact ND1-N 3.05Å; H361-I363 VanDerWaalsContact ND1-N 3.19Å; H361-I363 PolarHBondContact O-N 3.41Å; H361-S364 PolarHBondContact O-N 3.04Å; H361-S364 VanDerWaalsContact O-N 3.15Å; H361-R365 PolarHBondContact O-N 3.34Å
362	P	98.6	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-44.1	-177	18	-32.2	0	0	0	114.6	M111 N303 R365 L366	M111-P362 HydrophobicContact SD-CB 4.16Å; N303-P362 WeakPolarHBondContact O-CA 3.45Å; P362-R365 PolarHBondContact O-N 3.46Å; P362-L366 PolarHBondContact O-N 3.09Å
363	I	98.8	Very high	96.6	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.097	25%	0.25	C	C	.	.	H	α-helix	trans	-57.1	-50.3	174.7	-64.2	175.8	0	0	0	111.4	Y108 M111 T112 N115 H361 R365 L366 R367	Y108-I363 HydrophobicContact CD2-CG2 4.42Å; Y108-I363 HydrophobicContact CE2-CG2 3.63Å; M111-I363 HydrophobicContact CB-CD1 4.21Å; M111-I363 HydrophobicContact CB-CG1 3.81Å; M111-I363 HydrophobicContact SD-CG1 4.31Å; T112-I363 HydrophobicContact CG2-CD1 4.19Å; T112-I363 HydrophobicContact CG2-CG1 4.46Å; T112-I363 HydrophobicContact CG2-CG2 3.65Å; N115-I363 HydrophobicContact CB-CD1 3.95Å; H361-I363 PolarHBondContact ND1-N 3.05Å; H361-I363 VanDerWaalsContact ND1-N 3.19Å; H361-I363 PolarHBondContact O-N 3.41Å; I363-R365 PolarHBondContact O-N 3.41Å; I363-L366 PolarHBondContact O-N 3.01Å; I363-R367 WeakPolarHBondContact O-CB 3.49Å; I363-R367 PolarHBondContact O-N 3.23Å
364	S	98.4	Very high	96.8	Very high	32 Å²	32	52.3 Å²	52.3	22%	0.224	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-44.2	-179.3	-65.2	0	0	0	0	111.9	H361 R367 H368	H361-S364 PolarHBondContact O-N 3.04Å; H361-S364 VanDerWaalsContact O-N 3.15Å; S364-R367 WeakPolarHBondContact O-CB 3.48Å; S364-R367 PolarHBondContact O-N 2.97Å; S364-H368 PolarHBondContact O-CD2 3.31Å; S364-H368 PolarHBondContact O-N 2.89Å
365	R	98.6	Very high	97	Very high	2 Å²	2	52 Å²	52	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-47.9	178.3	-73	175.5	66.7	179.3	-6.7	112.3	M84 D85 D301 D304 D360 H361 P362 I363 R367 H368 Y369	M84-R365 HydrophobicContact CE-CB 4.02Å; M84-R365 PolarHBondContact O-NH2 3.01Å; D85-R365 PolarHBondContact O-NE 2.78Å; D301-R365 VanDerWaalsContact CG-NH1 3.31Å; D301-R365 IonicContact OD1-NH1 2.82Å; D301-R365 PolarHBondContact OD1-NH1 2.77Å; D301-R365 VanDerWaalsContact OD1-NH1 3.17Å; D301-R365 IonicContact OD2-CZ 2.89Å; D301-R365 VanDerWaalsContact OD2-CZ 3.27Å; D301-R365 IonicContact OD2-NH1 2.61Å; D301-R365 PolarHBondContact OD2-NH1 2.89Å; D301-R365 IonicContact OD2-NH2 3.13Å; D301-R365 PolarHBondContact OD2-NH2 2.83Å; D304-R365 VanDerWaalsContact CB-NH2 3.34Å; D304-R365 IonicContact OD2-NH2 3.14Å; D360-R365 VanDerWaalsContact OD1-CD 3.31Å; D360-R365 WeakPolarHBondContact OD1-CD 3.43Å; D360-R365 IonicContact OD1-CZ 3.52Å; D360-R365 IonicContact OD1-NH1 3.6Å; D360-R365 PolarHBondContact OD1-NH1 3.42Å; H361-R365 PolarHBondContact O-N 3.34Å; P362-R365 PolarHBondContact O-N 3.46Å; I363-R365 PolarHBondContact O-N 3.41Å; R365-R367 VanDerWaalsContact C-N 3.33Å; R365-R367 PolarHBondContact O-N 3.47Å; R365-H368 PolarHBondContact O-N 2.98Å; R365-Y369 PolarHBondContact O-N 3Å; R365-Y369 VanDerWaalsContact O-N 3.12Å
366	L	98.8	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-37.5	178.5	-169.4	62	0	0	0	112	V104 F107 Y108 M111 V305 F306 P362 I363 H368 Y369 M370	V104-L366 HydrophobicContact CG1-CD1 3.84Å; V104-L366 HydrophobicContact CG1-CG 4.39Å; F107-L366 HydrophobicContact CB-CD2 3.83Å; Y108-L366 HydrophobicContact CD2-CB 4.41Å; Y108-L366 HydrophobicContact CD2-CD2 4.32Å; Y108-L366 HydrophobicContact CD2-CG 4.49Å; M111-L366 HydrophobicContact CE-CB 4.01Å; M111-L366 HydrophobicContact CE-CD2 3.31Å; M111-L366 HydrophobicContact CE-CG 4.29Å; V305-L366 HydrophobicContact CG1-CD1 3.76Å; V305-L366 HydrophobicContact CG1-CD2 4.2Å; V305-L366 HydrophobicContact CG1-CG 4.41Å; F306-L366 HydrophobicContact CE1-CD1 4.31Å; F306-L366 HydrophobicContact CE2-CD1 4.22Å; F306-L366 HydrophobicContact CZ-CD1 3.75Å; P362-L366 PolarHBondContact O-N 3.09Å; I363-L366 PolarHBondContact O-N 3.01Å; L366-H368 PolarHBondContact O-N 3.35Å; L366-Y369 HydrophobicContact CD1-CD1 4.24Å; L366-Y369 WeakPolarHBondContact O-CB 3.37Å; L366-Y369 PolarHBondContact O-N 3.25Å; L366-M370 WeakPolarHBondContact O-CG 3.49Å; L366-M370 PolarHBondContact O-N 2.89Å
367	R	98.7	Very high	97.3	Very high	73 Å²	73	47 Å²	47	28%	0.275	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-48.1	173.7	-174.9	177.6	57.3	177.1	-2.8	111.2	Y108 I363 S364 R365 Y369 M370 T371	Y108-R367 HydrophobicContact CE2-CB 3.75Å; Y108-R367 HydrophobicContact CE2-CG 4.42Å; Y108-R367 WeakPolarHBondContact OH-CD 3.47Å; I363-R367 WeakPolarHBondContact O-CB 3.49Å; I363-R367 PolarHBondContact O-N 3.23Å; S364-R367 WeakPolarHBondContact O-CB 3.48Å; S364-R367 PolarHBondContact O-N 2.97Å; R365-R367 VanDerWaalsContact C-N 3.33Å; R365-R367 PolarHBondContact O-N 3.47Å; R367-Y369 VanDerWaalsContact C-N 3.33Å; R367-Y369 PolarHBondContact O-N 3.01Å; R367-M370 PolarHBondContact O-N 3.1Å; R367-T371 PolarHBondContact O-N 2.91Å; R367-T371 PolarHBondContact O-OG1 3.05Å; R367-T371 VanDerWaalsContact O-OG1 3.13Å
368	H	98.6	Very high	97.5	Very high	84 Å²	84	49.3 Å²	49.3	39%	0.389	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-43.9	178.3	-65.6	-45.6	0	0	0	112.3	Q87 S364 R365 L366 M370 T371 A372	Q87-H368 VanDerWaalsContact O-CB 3.24Å; Q87-H368 WeakPolarHBondContact O-CB 3.47Å; S364-H368 PolarHBondContact O-CD2 3.31Å; S364-H368 PolarHBondContact O-N 2.89Å; R365-H368 PolarHBondContact O-N 2.98Å; L366-H368 PolarHBondContact O-N 3.35Å; H368-M370 PolarHBondContact O-N 2.99Å; H368-T371 PolarHBondContact O-N 3.45Å; H368-A372 WeakPolarHBondContact O-CB 3.33Å; H368-A372 PolarHBondContact O-N 3.13Å
369	Y	98.8	Very high	97.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-47.8	174.8	172.1	-93.2	0	0	0	112.2	G88 I90 V104 F306 R365 L366 R367 R373 W375	G88-Y369 WeakPolarHBondContact O-CA 3.4Å; G88-Y369 WeakPolarHBondContact O-CB 3.49Å; G88-Y369 WeakPolarHBondContact O-CD2 3.28Å; I90-Y369 HydrophobicContact CD1-CD2 4.38Å; I90-Y369 HydrophobicContact CD1-CE2 3.89Å; I90-Y369 HydrophobicContact CG1-CE2 3.98Å; V104-Y369 HydrophobicContact CG1-CD1 4.18Å; V104-Y369 HydrophobicContact CG1-CE1 4.04Å; V104-Y369 HydrophobicContact CG2-CE1 4.47Å; F306-Y369 AromaticContact CE2-CD1 3.88Å; F306-Y369 HydrophobicContact CE2-CD1 3.88Å; F306-Y369 AromaticContact CE2-CD2 3.86Å; F306-Y369 HydrophobicContact CE2-CD2 3.86Å; F306-Y369 AromaticContact CE2-CE1 3.75Å; F306-Y369 HydrophobicContact CE2-CE1 3.75Å; F306-Y369 AromaticContact CE2-CE2 3.72Å; F306-Y369 HydrophobicContact CE2-CE2 3.72Å; F306-Y369 AromaticContact CE2-CG 3.92Å; F306-Y369 HydrophobicContact CE2-CG 3.92Å; F306-Y369 AromaticContact CE2-CZ 3.65Å; F306-Y369 AromaticContact CZ-CD1 3.87Å; F306-Y369 HydrophobicContact CZ-CD1 3.87Å; F306-Y369 AromaticContact CZ-CE1 3.54Å; F306-Y369 HydrophobicContact CZ-CE1 3.54Å; F306-Y369 HydrophobicContact CZ-CE2 4.33Å; F306-Y369 HydrophobicContact CZ-CG 4.38Å; F306-Y369 AromaticContact CZ-CZ 3.78Å; R365-Y369 PolarHBondContact O-N 3Å; R365-Y369 VanDerWaalsContact O-N 3.12Å; L366-Y369 HydrophobicContact CD1-CD1 4.24Å; L366-Y369 WeakPolarHBondContact O-CB 3.37Å; L366-Y369 PolarHBondContact O-N 3.25Å; R367-Y369 VanDerWaalsContact C-N 3.33Å; R367-Y369 PolarHBondContact O-N 3.01Å; Y369-R373 VanDerWaalsContact CE2-NE 3.31Å; Y369-R373 VanDerWaalsContact CZ-CZ 3.41Å; Y369-R373 PolarHBondContact O-N 3.29Å; Y369-R373 PolarHBondContact OH-NE 2.8Å; Y369-R373 PolarHBondContact OH-NH1 3.39Å; Y369-R373 VanDerWaalsContact OH-NH1 3.15Å; Y369-R373 PolarHBondContact OH-NH2 2.91Å; Y369-R373 VanDerWaalsContact OH-NH2 3.13Å; Y369-W375 HydrophobicContact CE1-CE3 4.27Å; Y369-W375 HydrophobicContact CE1-CH2 4.49Å; Y369-W375 AromaticContact CE1-CZ3 3.77Å; Y369-W375 HydrophobicContact CE1-CZ3 3.77Å
370	M	98.7	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-41	-179.2	-66.7	-173.1	-56.9	0	0	112.7	V104 L105 Y108 L366 R367 H368 R373 G374 W375 W376	V104-M370 HydrophobicContact CG1-CG 3.77Å; V104-M370 HydrophobicContact CG1-SD 3.99Å; L105-M370 HydrophobicContact CD2-SD 3.82Å; Y108-M370 HydrophobicContact CD1-CE 3.53Å; Y108-M370 HydrophobicContact CD2-CE 3.47Å; Y108-M370 VanDerWaalsContact CD2-CE 3.47Å; Y108-M370 HydrophobicContact CE1-CE 4.03Å; Y108-M370 HydrophobicContact CE2-CE 3.99Å; Y108-M370 HydrophobicContact CG-CE 3.2Å; Y108-M370 HydrophobicContact CG-SD 4.24Å; L366-M370 WeakPolarHBondContact O-CG 3.49Å; L366-M370 PolarHBondContact O-N 2.89Å; R367-M370 PolarHBondContact O-N 3.1Å; H368-M370 PolarHBondContact O-N 2.99Å; M370-R373 PolarHBondContact O-N 3.22Å; M370-G374 PolarHBondContact O-N 3.24Å; M370-W375 HydrophobicContact CB-CB 4.21Å; M370-W375 PolarHBondContact O-N 2.9Å; M370-W376 HydrophobicContact CB-CB 3.68Å; M370-W376 HydrophobicContact CE-CB 3.96Å; M370-W376 HydrophobicContact CE-CD2 4.27Å; M370-W376 HydrophobicContact CE-CG 3.9Å; M370-W376 HydrophobicContact SD-CB 4.39Å
371	T	98.4	Very high	98.4	Very high	68 Å²	68	46.2 Å²	46.2	42%	0.417	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-41.4	178	-60.9	0	0	0	0	111.2	R367 H368 R373 G374 W376	R367-T371 PolarHBondContact O-N 2.91Å; R367-T371 PolarHBondContact O-OG1 3.05Å; R367-T371 VanDerWaalsContact O-OG1 3.13Å; H368-T371 PolarHBondContact O-N 3.45Å; T371-R373 PolarHBondContact O-N 2.69Å; T371-G374 PolarHBondContact O-N 3.19Å; T371-W376 WeakPolarHBondContact CA-O 3.42Å; T371-W376 PolarHBondContact OG1-O 3.2Å
372	A	97.8	Very high	98.4	Very high	88 Å²	88	52.6 Å²	52.6	73%	0.727	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-27.5	176	0	0	0	0	0	113.2	H368	H368-A372 WeakPolarHBondContact O-CB 3.33Å; H368-A372 PolarHBondContact O-N 3.13Å
373	R	97.7	Very high	98.4	Very high	92 Å²	92	56.5 Å²	56.5	35%	0.347	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.8	176.1	-65.8	-171.1	177	-147.2	4	114.1	D96 Y369 M370 T371 W375	D96-R373 IonicContact OD2-NH2 2.74Å; D96-R373 PolarHBondContact OD2-NH2 3.18Å; Y369-R373 VanDerWaalsContact CE2-NE 3.31Å; Y369-R373 VanDerWaalsContact CZ-CZ 3.41Å; Y369-R373 PolarHBondContact O-N 3.29Å; Y369-R373 PolarHBondContact OH-NE 2.8Å; Y369-R373 PolarHBondContact OH-NH1 3.39Å; Y369-R373 VanDerWaalsContact OH-NH1 3.15Å; Y369-R373 PolarHBondContact OH-NH2 2.91Å; Y369-R373 VanDerWaalsContact OH-NH2 3.13Å; M370-R373 PolarHBondContact O-N 3.22Å; T371-R373 PolarHBondContact O-N 2.69Å; R373-W375 HydrophobicContact CB-CD2 3.88Å; R373-W375 HydrophobicContact CB-CG 3.96Å; R373-W375 HydrophobicContact CB-CZ2 4.4Å; R373-W375 PolarHBondContact O-N 3.17Å; R373-W375 PolarHBondContact O-NE1 3.38Å
374	G	98.3	Very high	98.4	Very high	63 Å²	63	57.8 Å²	57.8	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	24.5	-175.3	0	0	0	0	0	113.5	M370 T371	M370-G374 PolarHBondContact O-N 3.24Å; T371-G374 PolarHBondContact O-N 3.19Å
375	W	98.6	Very high	98.4	Very high	50 Å²	50	63.9 Å²	63.9	19%	0.189	33%	0.33	C	S	.	.	S	Bend	trans	-91.4	-20.4	-179	-66	-1.4	0	0	0	113.4	K101 V104 Y369 M370 R373	K101-W375 HydrophobicContact CB-CD2 4Å; K101-W375 HydrophobicContact CB-CE3 4.16Å; K101-W375 HydrophobicContact CB-CG 4.47Å; K101-W375 HydrophobicContact CB-CH2 4.48Å; K101-W375 HydrophobicContact CB-CZ2 4.35Å; K101-W375 HydrophobicContact CB-CZ3 4.39Å; K101-W375 HydrophobicContact CD-CB 4.14Å; K101-W375 HydrophobicContact CD-CD2 4.21Å; K101-W375 HydrophobicContact CD-CG 3.78Å; K101-W375 HydrophobicContact CG-CB 4.17Å; K101-W375 HydrophobicContact CG-CD2 3.82Å; K101-W375 HydrophobicContact CG-CE3 4.13Å; K101-W375 HydrophobicContact CG-CG 3.82Å; V104-W375 HydrophobicContact CB-CE3 4.42Å; V104-W375 HydrophobicContact CB-CZ3 4.12Å; V104-W375 HydrophobicContact CG1-CE3 4.4Å; V104-W375 HydrophobicContact CG1-CZ3 4.32Å; V104-W375 HydrophobicContact CG2-CZ3 4.07Å; Y369-W375 HydrophobicContact CE1-CE3 4.27Å; Y369-W375 HydrophobicContact CE1-CH2 4.49Å; Y369-W375 AromaticContact CE1-CZ3 3.77Å; Y369-W375 HydrophobicContact CE1-CZ3 3.77Å; M370-W375 HydrophobicContact CB-CB 4.21Å; M370-W375 PolarHBondContact O-N 2.9Å; R373-W375 HydrophobicContact CB-CD2 3.88Å; R373-W375 HydrophobicContact CB-CG 3.96Å; R373-W375 HydrophobicContact CB-CZ2 4.4Å; R373-W375 PolarHBondContact O-N 3.17Å; R373-W375 PolarHBondContact O-NE1 3.38Å
376	W	98.6	Very high	98.4	Very high	18 Å²	18	71.7 Å²	71.7	7%	0.068	36%	0.364	C	S	.	.			trans	-142.6	124.4	-178.6	-163.2	-106.6	0	0	0	110.7	L105 Y108 M370 T371 D380 E381 W384	L105-W376 HydrophobicContact CD2-CD2 4.37Å; L105-W376 HydrophobicContact CD2-CE3 3.36Å; L105-W376 HydrophobicContact CD2-CZ3 3.73Å; Y108-W376 HydrophobicContact CD1-CD2 4.49Å; Y108-W376 HydrophobicContact CD1-CH2 4.47Å; Y108-W376 AromaticContact CD1-CZ2 4Å; Y108-W376 HydrophobicContact CD1-CZ2 4Å; Y108-W376 HydrophobicContact CE1-CD2 4.39Å; Y108-W376 AromaticContact CE1-CE2 3.58Å; Y108-W376 AromaticContact CE1-CZ2 3.68Å; Y108-W376 HydrophobicContact CE1-CZ2 3.68Å; Y108-W376 AromaticContact CE1-NE1 3.51Å; M370-W376 HydrophobicContact CB-CB 3.68Å; M370-W376 HydrophobicContact CE-CB 3.96Å; M370-W376 HydrophobicContact CE-CD2 4.27Å; M370-W376 HydrophobicContact CE-CG 3.9Å; M370-W376 HydrophobicContact SD-CB 4.39Å; T371-W376 WeakPolarHBondContact CA-O 3.42Å; T371-W376 PolarHBondContact OG1-O 3.2Å; W376-D380 HydrophobicContact CD2-CB 3.78Å; W376-D380 HydrophobicContact CE3-CB 3.75Å; W376-D380 HydrophobicContact CG-CB 4.45Å; W376-D380 HydrophobicContact CH2-CB 4.05Å; W376-D380 HydrophobicContact CZ2-CB 4.05Å; W376-D380 HydrophobicContact CZ3-CB 3.9Å; W376-E381 PolarHBondContact NE1-OE2 3Å; W376-W384 HydrophobicContact CH2-CB 3.73Å; W376-W384 HydrophobicContact CH2-CG 4.02Å; W376-W384 HydrophobicContact CZ2-CB 3.77Å; W376-W384 HydrophobicContact CZ2-CG 4.13Å
377	S	98.4	Very high	98.4	Very high	50 Å²	50	75.9 Å²	75.9	35%	0.35	38%	0.383	S	S	.	.			trans	-106.9	168.6	178	70.1	0	0	0	0	112.3	D379 D380 E381	S377-D379 PolarHBondContact O-N 3.44Å; S377-D379 PolarHBondContact OG-N 3.27Å; S377-D380 WeakPolarHBondContact CB-OD2 3.42Å; S377-D380 PolarHBondContact N-OD2 3.19Å; S377-D380 PolarHBondContact O-N 3.18Å; S377-D380 PolarHBondContact OG-N 3.42Å; S377-D380 PolarHBondContact OG-OD2 3.21Å; S377-E381 PolarHBondContact O-N 2.89Å
378	E	97.9	Very high	98.4	Very high	115 Å²	115	72.6 Å²	72.6	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-61.8	-28	171.4	-71.6	-61.2	143.9	0	0	112.6	R382	E378-R382 VanDerWaalsContact C-NH1 3.29Å; E378-R382 WeakPolarHBondContact O-CG 3.41Å; E378-R382 PolarHBondContact O-N 2.62Å; E378-R382 PolarHBondContact O-NH1 2.8Å
379	D	98.4	Very high	98.4	Very high	101 Å²	101	75.2 Å²	75.2	54%	0.54	38%	0.378	S	S	.	.	H	α-helix	trans	-73.9	-40.7	177.8	-71	9	0	0	0	110.7	S377 E381 R382 S383	S377-D379 PolarHBondContact O-N 3.44Å; S377-D379 PolarHBondContact OG-N 3.27Å; D379-E381 VanDerWaalsContact C-N 3.34Å; D379-R382 PolarHBondContact O-N 3.1Å; D379-R382 IonicContact OD1-CZ 3.81Å; D379-R382 IonicContact OD1-NH1 3Å; D379-R382 PolarHBondContact OD1-NH1 3.48Å; D379-R382 IonicContact OD1-NH2 2.65Å; D379-R382 PolarHBondContact OD1-NH2 3.44Å; D379-R382 IonicContact OD2-NH2 3.23Å; D379-S383 VanDerWaalsContact O-CB 3.32Å; D379-S383 WeakPolarHBondContact O-CB 3.35Å; D379-S383 PolarHBondContact O-N 2.97Å
380	D	98.4	Very high	98.4	Very high	70 Å²	70	80.4 Å²	80.4	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-60.3	-45	171.8	-58.6	-49.9	0	0	0	110.8	W376 S377 S383 W384	W376-D380 HydrophobicContact CD2-CB 3.78Å; W376-D380 HydrophobicContact CE3-CB 3.75Å; W376-D380 HydrophobicContact CG-CB 4.45Å; W376-D380 HydrophobicContact CH2-CB 4.05Å; W376-D380 HydrophobicContact CZ2-CB 4.05Å; W376-D380 HydrophobicContact CZ3-CB 3.9Å; S377-D380 WeakPolarHBondContact CB-OD2 3.42Å; S377-D380 PolarHBondContact N-OD2 3.19Å; S377-D380 PolarHBondContact O-N 3.18Å; S377-D380 PolarHBondContact OG-N 3.42Å; S377-D380 PolarHBondContact OG-OD2 3.21Å; D380-S383 PolarHBondContact O-N 2.86Å; D380-W384 VanDerWaalsContact O-CB 3.27Å; D380-W384 WeakPolarHBondContact O-CB 3.43Å; D380-W384 PolarHBondContact O-N 3.18Å
381	E	98.4	Very high	98.4	Very high	30 Å²	30	82.7 Å²	82.7	14%	0.14	41%	0.414	C	S	.	.	H	α-helix	trans	-58.9	-49.4	177.3	-177.1	61.8	-154.4	0	0	111.8	Y108 W376 S377 D379 S383 R385	Y108-E381 WeakPolarHBondContact CE1-OE2 3.31Å; Y108-E381 PolarHBondContact OH-OE1 3.39Å; Y108-E381 PolarHBondContact OH-OE2 3.37Å; W376-E381 PolarHBondContact NE1-OE2 3Å; S377-E381 PolarHBondContact O-N 2.89Å; D379-E381 VanDerWaalsContact C-N 3.34Å; E381-S383 PolarHBondContact O-N 3.08Å; E381-R385 WeakPolarHBondContact O-CB 3.19Å; E381-R385 PolarHBondContact O-N 3.34Å
382	R	98.4	Very high	98.4	Very high	146 Å²	146	79.4 Å²	79.4	55%	0.551	40%	0.395	S	S	*	.	H	α-helix	trans	-62.8	-42.7	178.4	-71.1	-167.4	-47.3	-81	10.7	111.7	E378 D379 K386	E378-R382 VanDerWaalsContact C-NH1 3.29Å; E378-R382 WeakPolarHBondContact O-CG 3.41Å; E378-R382 PolarHBondContact O-N 2.62Å; E378-R382 PolarHBondContact O-NH1 2.8Å; D379-R382 PolarHBondContact O-N 3.1Å; D379-R382 IonicContact OD1-CZ 3.81Å; D379-R382 IonicContact OD1-NH1 3Å; D379-R382 PolarHBondContact OD1-NH1 3.48Å; D379-R382 IonicContact OD1-NH2 2.65Å; D379-R382 PolarHBondContact OD1-NH2 3.44Å; D379-R382 IonicContact OD2-NH2 3.23Å; R382-K386 PolarHBondContact O-N 3.46Å
383	S	98.6	Very high	98.5	Very high	81 Å²	81	77.8 Å²	77.8	57%	0.566	37%	0.372	S	S	*	.	H	α-helix	trans	-63.3	-50.9	178.6	-174.7	0	0	0	0	111.4	D379 D380 E381 R385 K386 Q387	D379-S383 VanDerWaalsContact O-CB 3.32Å; D379-S383 WeakPolarHBondContact O-CB 3.35Å; D379-S383 PolarHBondContact O-N 2.97Å; D380-S383 PolarHBondContact O-N 2.86Å; E381-S383 PolarHBondContact O-N 3.08Å; S383-R385 PolarHBondContact O-N 3.23Å; S383-K386 PolarHBondContact O-N 3.27Å; S383-Q387 WeakPolarHBondContact O-CB 3.39Å; S383-Q387 PolarHBondContact O-N 2.99Å
384	W	98.7	Very high	98.5	Very high	46 Å²	46	77.1 Å²	77.1	17%	0.174	37%	0.373	C	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.6	175.2	-114.7	0	0	0	112.6	Q109 T112 L113 W376 D380 K386 Q387 S388	Q109-W384 HydrophobicContact CB-CH2 3.98Å; Q109-W384 HydrophobicContact CB-CZ2 3.55Å; Q109-W384 HydrophobicContact CG-CD2 4.02Å; Q109-W384 HydrophobicContact CG-CE3 4.33Å; Q109-W384 HydrophobicContact CG-CH2 4.18Å; Q109-W384 HydrophobicContact CG-CZ2 3.85Å; Q109-W384 HydrophobicContact CG-CZ3 4.4Å; Q109-W384 WeakPolarHBondContact O-CZ2 3.28Å; T112-W384 PolarHBondContact OG1-NE1 3.06Å; L113-W384 HydrophobicContact CB-CZ2 4.2Å; W376-W384 HydrophobicContact CH2-CB 3.73Å; W376-W384 HydrophobicContact CH2-CG 4.02Å; W376-W384 HydrophobicContact CZ2-CB 3.77Å; W376-W384 HydrophobicContact CZ2-CG 4.13Å; D380-W384 VanDerWaalsContact O-CB 3.27Å; D380-W384 WeakPolarHBondContact O-CB 3.43Å; D380-W384 PolarHBondContact O-N 3.18Å; W384-K386 VanDerWaalsContact C-N 3.29Å; W384-K386 PolarHBondContact O-N 3.24Å; W384-Q387 PolarHBondContact O-N 3.26Å; W384-S388 WeakPolarHBondContact O-CB 3.4Å; W384-S388 PolarHBondContact O-N 2.99Å; W384-S388 PolarHBondContact O-OG 3.41Å
385	R	98.5	Very high	98.5	Very high	160 Å²	160	74.1 Å²	74.1	60%	0.604	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-39	176.6	-175.2	176.5	176.8	-175	-0.7	112.1	E381 S383 S388 R389	E381-R385 WeakPolarHBondContact O-CB 3.19Å; E381-R385 PolarHBondContact O-N 3.34Å; S383-R385 PolarHBondContact O-N 3.23Å; R385-S388 WeakPolarHBondContact CA-OG 3.37Å; R385-S388 PolarHBondContact O-OG 2.65Å; R385-R389 WeakPolarHBondContact O-CB 3.5Å; R385-R389 PolarHBondContact O-N 2.97Å
386	K	98.6	Very high	98.6	Very high	167 Å²	167	72.5 Å²	72.5	73%	0.726	34%	0.337	S	S	*	.	H	α-helix	trans	-66.7	-46.8	174.3	-176.8	-179.3	178.4	-177.8	0	111	R382 S383 W384 K390	R382-K386 PolarHBondContact O-N 3.46Å; S383-K386 PolarHBondContact O-N 3.27Å; W384-K386 VanDerWaalsContact C-N 3.29Å; W384-K386 PolarHBondContact O-N 3.24Å; K386-K390 WeakPolarHBondContact O-CB 3.15Å; K386-K390 PolarHBondContact O-N 2.89Å
387	Q	98.7	Very high	98.6	Very high	88 Å²	88	75.6 Å²	75.6	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-65.2	-50.8	-177.9	-178.2	57	37.6	0	0	112.1	S383 W384 R389 K390 T391	S383-Q387 WeakPolarHBondContact O-CB 3.39Å; S383-Q387 PolarHBondContact O-N 2.99Å; W384-Q387 PolarHBondContact O-N 3.26Å; Q387-R389 PolarHBondContact O-N 3.44Å; Q387-K390 WeakPolarHBondContact O-CB 3.45Å; Q387-K390 PolarHBondContact O-N 3.42Å; Q387-K390 VanDerWaalsContact O-N 3.13Å; Q387-T391 PolarHBondContact NE2-OG1 3.23Å; Q387-T391 PolarHBondContact O-N 3.21Å; Q387-T391 PolarHBondContact O-OG1 3.06Å; Q387-T391 VanDerWaalsContact O-OG1 3.09Å
388	S	98.6	Very high	98.6	Very high	3 Å²	3	79 Å²	79	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-57	-46.6	177.8	52.5	0	0	0	0	111.7	W384 R385 K390 T391 V392	W384-S388 WeakPolarHBondContact O-CB 3.4Å; W384-S388 PolarHBondContact O-N 2.99Å; W384-S388 PolarHBondContact O-OG 3.41Å; R385-S388 WeakPolarHBondContact CA-OG 3.37Å; R385-S388 PolarHBondContact O-OG 2.65Å; S388-K390 PolarHBondContact O-N 3.32Å; S388-T391 PolarHBondContact O-N 3.33Å; S388-V392 VanDerWaalsContact O-CG2 3.31Å; S388-V392 WeakPolarHBondContact O-CG2 3.38Å; S388-V392 PolarHBondContact O-N 3.35Å
389	R	98.6	Very high	98.6	Very high	139 Å²	139	73.7 Å²	73.7	53%	0.525	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-46	174.8	-177.3	172.4	-175.3	74.6	-0	111.9	T116 R385 Q387 V392 M393	T116-R389 HydrophobicContact CG2-CB 4.3Å; R385-R389 WeakPolarHBondContact O-CB 3.5Å; R385-R389 PolarHBondContact O-N 2.97Å; Q387-R389 PolarHBondContact O-N 3.44Å; R389-V392 PolarHBondContact O-N 3.22Å; R389-M393 HydrophobicContact CG-CG 4.33Å; R389-M393 WeakPolarHBondContact O-CB 2.93Å; R389-M393 VanDerWaalsContact O-CG 3.28Å; R389-M393 WeakPolarHBondContact O-CG 2.91Å; R389-M393 PolarHBondContact O-N 3.36Å
390	K	98.8	Very high	98.5	Very high	114 Å²	114	72.2 Å²	72.2	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-58.2	-51.1	177.8	-177.8	-176.7	170.8	-172.6	0	110.8	K386 Q387 S388 V392 M393 E394	K386-K390 WeakPolarHBondContact O-CB 3.15Å; K386-K390 PolarHBondContact O-N 2.89Å; Q387-K390 WeakPolarHBondContact O-CB 3.45Å; Q387-K390 PolarHBondContact O-N 3.42Å; Q387-K390 VanDerWaalsContact O-N 3.13Å; S388-K390 PolarHBondContact O-N 3.32Å; K390-V392 PolarHBondContact O-N 3.29Å; K390-M393 PolarHBondContact O-N 2.86Å; K390-E394 WeakPolarHBondContact CE-OE1 3.13Å; K390-E394 HydrophobicContact CG-CG 4.47Å; K390-E394 IonicContact NZ-OE1 2.7Å; K390-E394 WeakPolarHBondContact O-CG 3.49Å; K390-E394 PolarHBondContact O-N 3.19Å
391	T	98.4	Very high	98.5	Very high	47 Å²	47	77.9 Å²	77.9	29%	0.288	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-40.5	-178.1	-55.7	0	0	0	0	112.5	L173 Q387 S388 A395	L173-T391 HydrophobicContact CD1-CG2 3.81Å; Q387-T391 PolarHBondContact NE2-OG1 3.23Å; Q387-T391 PolarHBondContact O-N 3.21Å; Q387-T391 PolarHBondContact O-OG1 3.06Å; Q387-T391 VanDerWaalsContact O-OG1 3.09Å; S388-T391 PolarHBondContact O-N 3.33Å; T391-A395 PolarHBondContact O-N 3.31Å
392	V	98.8	Very high	98.5	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-43.5	175.6	177.2	0	0	0	0	111.4	L113 T116 M117 I120 L173 M177 S388 R389 K390 E394 A395 F396	L113-V392 HydrophobicContact CD1-CG2 3.68Å; T116-V392 HydrophobicContact CG2-CB 4.47Å; T116-V392 HydrophobicContact CG2-CG2 4.13Å; M117-V392 HydrophobicContact CB-CG1 4.33Å; M117-V392 HydrophobicContact CB-CG2 4.37Å; M117-V392 HydrophobicContact CG-CG1 4.48Å; I120-V392 HydrophobicContact CB-CG1 4.19Å; I120-V392 HydrophobicContact CD1-CB 3.83Å; I120-V392 HydrophobicContact CD1-CG1 3.41Å; I120-V392 VanDerWaalsContact CD1-CG1 3.41Å; I120-V392 HydrophobicContact CG1-CG1 4.36Å; I120-V392 HydrophobicContact CG2-CG1 4.3Å; L173-V392 HydrophobicContact CD1-CG2 3.96Å; L173-V392 HydrophobicContact CD2-CG2 4.47Å; M177-V392 HydrophobicContact CE-CG1 3.57Å; S388-V392 VanDerWaalsContact O-CG2 3.31Å; S388-V392 WeakPolarHBondContact O-CG2 3.38Å; S388-V392 PolarHBondContact O-N 3.35Å; R389-V392 PolarHBondContact O-N 3.22Å; K390-V392 PolarHBondContact O-N 3.29Å; V392-E394 VanDerWaalsContact C-N 3.33Å; V392-E394 PolarHBondContact O-N 3.42Å; V392-A395 PolarHBondContact O-N 3.26Å; V392-F396 VanDerWaalsContact O-CB 3.32Å; V392-F396 WeakPolarHBondContact O-CB 3.18Å; V392-F396 PolarHBondContact O-N 2.81Å
393	M	98.6	Very high	98.5	Very high	53 Å²	53	77.1 Å²	77.1	26%	0.261	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-38.2	177.8	-72.7	-57.6	-52.4	0	0	112.2	I120 R389 K390 F396 E397	I120-M393 HydrophobicContact CD1-CG 4.05Å; I120-M393 HydrophobicContact CD1-SD 3.7Å; I120-M393 HydrophobicContact CG1-SD 4.08Å; I120-M393 HydrophobicContact CG2-SD 4.06Å; R389-M393 HydrophobicContact CG-CG 4.33Å; R389-M393 WeakPolarHBondContact O-CB 2.93Å; R389-M393 VanDerWaalsContact O-CG 3.28Å; R389-M393 WeakPolarHBondContact O-CG 2.91Å; R389-M393 PolarHBondContact O-N 3.36Å; K390-M393 PolarHBondContact O-N 2.86Å; M393-F396 HydrophobicContact CE-CD1 4.07Å; M393-F396 WeakPolarHBondContact O-CB 3.2Å; M393-F396 PolarHBondContact O-N 3.03Å; M393-E397 WeakPolarHBondContact O-CB 3.4Å; M393-E397 WeakPolarHBondContact O-CG 3.25Å; M393-E397 PolarHBondContact O-N 3.06Å
394	E	98.8	Very high	98.5	Very high	78 Å²	78	76 Å²	76	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-42.7	175.4	-74.5	173.1	166.6	0	0	112	K390 V392 R398	K390-E394 WeakPolarHBondContact CE-OE1 3.13Å; K390-E394 HydrophobicContact CG-CG 4.47Å; K390-E394 IonicContact NZ-OE1 2.7Å; K390-E394 WeakPolarHBondContact O-CG 3.49Å; K390-E394 PolarHBondContact O-N 3.19Å; V392-E394 VanDerWaalsContact C-N 3.33Å; V392-E394 PolarHBondContact O-N 3.42Å; E394-R398 WeakPolarHBondContact O-CG 3.44Å; E394-R398 PolarHBondContact O-N 2.86Å; E394-R398 PolarHBondContact O-NH1 3.22Å
395	A	98.8	Very high	98.5	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-41	174.8	0	0	0	0	0	112	L173 M177 T391 V392 R398 A399	L173-A395 HydrophobicContact CB-CB 3.74Å; M177-A395 HydrophobicContact CG-CB 4.15Å; T391-A395 PolarHBondContact O-N 3.31Å; V392-A395 PolarHBondContact O-N 3.26Å; A395-R398 PolarHBondContact O-N 3.15Å; A395-A399 WeakPolarHBondContact O-CB 3.39Å; A395-A399 PolarHBondContact O-N 3.04Å
396	F	98.7	Very high	98.5	Very high	17 Å²	17	68.2 Å²	68.2	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-50.3	175.7	175.8	-88.7	0	0	0	112.1	I120 L121 S124 M177 Y181 V392 M393 R398 A399 E400	I120-F396 HydrophobicContact CG2-CD2 3.8Å; I120-F396 HydrophobicContact CG2-CE2 4.25Å; I120-F396 HydrophobicContact CG2-CG 4.21Å; L121-F396 HydrophobicContact CD2-CD2 4.5Å; S124-F396 WeakPolarHBondContact OG-CE2 3.27Å; M177-F396 HydrophobicContact CE-CB 4.23Å; M177-F396 HydrophobicContact SD-CB 4.21Å; M177-F396 HydrophobicContact SD-CD2 4.25Å; Y181-F396 HydrophobicContact CE2-CD2 4.29Å; Y181-F396 HydrophobicContact CE2-CE2 4.18Å; Y181-F396 AromaticContact CZ-CE2 3.95Å; Y181-F396 WeakPolarHBondContact OH-CE2 3.41Å; Y181-F396 WeakPolarHBondContact OH-CZ 3.45Å; V392-F396 VanDerWaalsContact O-CB 3.32Å; V392-F396 WeakPolarHBondContact O-CB 3.18Å; V392-F396 PolarHBondContact O-N 2.81Å; M393-F396 HydrophobicContact CE-CD1 4.07Å; M393-F396 WeakPolarHBondContact O-CB 3.2Å; M393-F396 PolarHBondContact O-N 3.03Å; F396-R398 VanDerWaalsContact C-N 3.34Å; F396-R398 PolarHBondContact O-N 3.34Å; F396-A399 PolarHBondContact O-N 2.78Å; F396-E400 WeakPolarHBondContact O-CB 3.22Å; F396-E400 PolarHBondContact O-N 3.34Å
397	E	98.5	Very high	98.4	Very high	83 Å²	83	61.5 Å²	61.5	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-37.6	-179.7	-74.9	179.8	-154.2	0	0	112.6	M393 R401	M393-E397 WeakPolarHBondContact O-CB 3.4Å; M393-E397 WeakPolarHBondContact O-CG 3.25Å; M393-E397 PolarHBondContact O-N 3.06Å; E397-R401 WeakPolarHBondContact O-CG 3.41Å; E397-R401 PolarHBondContact O-N 3.05Å; E397-R401 IonicContact OE2-NH2 2.83Å; E397-R401 PolarHBondContact OE2-NH2 3.25Å
398	R	98.4	Very high	98.3	Very high	121 Å²	121	60.3 Å²	60.3	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-48.3	173.9	-74.7	-170.6	-61.9	-92.5	9.2	111.1	D174 E394 A395 F396 E400 R401 R402	D174-R398 VanDerWaalsContact CG-NH2 3.26Å; D174-R398 IonicContact OD1-CZ 2.64Å; D174-R398 IonicContact OD1-NE 3.32Å; D174-R398 PolarHBondContact OD1-NE 3.03Å; D174-R398 IonicContact OD1-NH2 2.91Å; D174-R398 PolarHBondContact OD1-NH2 2.92Å; D174-R398 IonicContact OD2-CZ 2.88Å; D174-R398 IonicContact OD2-NE 3.11Å; D174-R398 IonicContact OD2-NH2 2.77Å; D174-R398 PolarHBondContact OD2-NH2 2.78Å; E394-R398 WeakPolarHBondContact O-CG 3.44Å; E394-R398 PolarHBondContact O-N 2.86Å; E394-R398 PolarHBondContact O-NH1 3.22Å; A395-R398 PolarHBondContact O-N 3.15Å; F396-R398 VanDerWaalsContact C-N 3.34Å; F396-R398 PolarHBondContact O-N 3.34Å; R398-E400 VanDerWaalsContact C-N 3.34Å; R398-E400 PolarHBondContact O-N 3.4Å; R398-R401 PolarHBondContact O-N 3.23Å; R398-R402 PolarHBondContact O-N 2.88Å
399	A	98.4	Very high	98.3	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-36.9	-176.7	0	0	0	0	0	113.1	M177 Y181 N183 A395 F396 R402	M177-A399 HydrophobicContact CB-CB 3.38Å; M177-A399 HydrophobicContact CG-CB 4.38Å; Y181-A399 HydrophobicContact CD2-CB 4.21Å; N183-A399 WeakPolarHBondContact ND2-CA 3.34Å; N183-A399 PolarHBondContact ND2-O 2.94Å; A395-A399 WeakPolarHBondContact O-CB 3.39Å; A395-A399 PolarHBondContact O-N 3.04Å; F396-A399 PolarHBondContact O-N 2.78Å; A399-R402 PolarHBondContact O-N 3.33Å
400	E	97.4	Very high	98.2	Very high	70 Å²	70	60.6 Å²	60.6	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-68	-33.4	178.8	178.7	162.6	-110.4	0	0	113.1	R129 Y181 F396 R398 R402	R129-E400 WeakPolarHBondContact CD-OE1 3.42Å; R129-E400 IonicContact CZ-OE1 3.96Å; R129-E400 IonicContact NE-OE1 3.44Å; R129-E400 IonicContact NH1-OE1 3.86Å; R129-E400 PolarHBondContact NH1-OE1 3Å; R129-E400 IonicContact NH1-OE2 3.23Å; R129-E400 PolarHBondContact NH1-OE2 3.44Å; Y181-E400 HydrophobicContact CE1-CB 3.94Å; Y181-E400 HydrophobicContact CE1-CG 4.17Å; F396-E400 WeakPolarHBondContact O-CB 3.22Å; F396-E400 PolarHBondContact O-N 3.34Å; R398-E400 VanDerWaalsContact C-N 3.34Å; R398-E400 PolarHBondContact O-N 3.4Å; E400-R402 VanDerWaalsContact C-N 3.31Å
401	R	97.6	Very high	98.2	Very high	189 Å²	189	55.9 Å²	55.9	71%	0.713	26%	0.257	S	S	*	.	H	α-helix	trans	-80.8	-12.7	178.2	-66.7	175.8	-166.9	156.8	13.5	113	E397 R398	E397-R401 WeakPolarHBondContact O-CG 3.41Å; E397-R401 PolarHBondContact O-N 3.05Å; E397-R401 IonicContact OE2-NH2 2.83Å; E397-R401 PolarHBondContact OE2-NH2 3.25Å; R398-R401 PolarHBondContact O-N 3.23Å
402	R	98.3	Very high	98.2	Very high	91 Å²	91	55.1 Å²	55.1	34%	0.343	25%	0.253	S	S	.	.	S	Bend	trans	-78.8	135.2	-177.6	-164	70.3	170.1	106.9	14.1	110.3	N183 A184 D185 R398 A399 E400 E446	N183-R402 HydrophobicContact CB-CB 3.95Å; N183-R402 HydrophobicContact CB-CG 4.1Å; A184-R402 HydrophobicContact CB-CG 4.44Å; D185-R402 VanDerWaalsContact CG-NE 3.29Å; D185-R402 IonicContact OD1-CZ 3.46Å; D185-R402 IonicContact OD1-NE 3.64Å; D185-R402 PolarHBondContact OD1-NE 2.99Å; D185-R402 IonicContact OD1-NH2 2.71Å; D185-R402 PolarHBondContact OD1-NH2 2.99Å; D185-R402 WeakPolarHBondContact OD2-CD 3.43Å; D185-R402 WeakPolarHBondContact OD2-CG 3.38Å; D185-R402 IonicContact OD2-NE 3.54Å; D185-R402 PolarHBondContact OD2-NE 3.39Å; R398-R402 PolarHBondContact O-N 2.88Å; A399-R402 PolarHBondContact O-N 3.33Å; E400-R402 VanDerWaalsContact C-N 3.31Å; R402-E446 IonicContact CZ-OE1 2.92Å; R402-E446 IonicContact NH1-OE1 3.53Å; R402-E446 PolarHBondContact NH1-OE1 2.71Å; R402-E446 IonicContact NH2-OE1 2.7Å; R402-E446 PolarHBondContact NH2-OE1 3.11Å
403	L	98.5	Very high	98.2	Very high	69 Å²	69	59.5 Å²	59.5	36%	0.361	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-63	158.7	174.2	-62.8	177.1	0	0	0	111.2	N183 A184 D443 L444 E446	N183-L403 CarbonylContact C-O 3.54Å; N183-L403 WeakPolarHBondContact CA-O 3.34Å; N183-L403 WeakPolarHBondContact CB-O 3.41Å; A184-L403 WeakPolarHBondContact CB-O 3.4Å; A184-L403 PolarHBondContact N-O 2.88Å; L403-D443 WeakPolarHBondContact CD2-O 3.15Å; L403-L444 CarbonylContact C-O 3.57Å; L403-L444 WeakPolarHBondContact CA-O 3.42Å; L403-E446 HydrophobicContact CB-CG 3.87Å; L403-E446 HydrophobicContact CD1-CG 4.23Å
404	K	98.6	Very high	98.2	Very high	57 Å²	57	61 Å²	61	25%	0.248	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-68.7	155.1	168.4	-53.1	-56.7	179.5	-166.6	0	110.3	Y181 A182 L444 Y445 E446	Y181-K404 PolarHBondContact O-NZ 3.44Å; A182-K404 WeakPolarHBondContact O-CD 3.42Å; K404-L444 WeakPolarHBondContact CB-O 3.25Å; K404-L444 WeakPolarHBondContact CG-O 3.33Å; K404-L444 PolarHBondContact N-O 3.44Å; K404-Y445 HydrophobicContact CB-CD1 3.6Å; K404-Y445 HydrophobicContact CB-CD2 4.32Å; K404-Y445 HydrophobicContact CB-CE1 3.72Å; K404-Y445 HydrophobicContact CB-CE2 4.42Å; K404-Y445 HydrophobicContact CB-CG 3.91Å; K404-Y445 HydrophobicContact CG-CD1 4.48Å; K404-Y445 HydrophobicContact CG-CE1 4.28Å; K404-Y445 HydrophobicContact CG-CE2 4.31Å; K404-Y445 CarbonylContact O-C 3.58Å; K404-Y445 WeakPolarHBondContact O-CA 3.2Å; K404-E446 PolarHBondContact O-N 3.26Å
405	P	98.4	Very high	98.1	Very high	12 Å²	12	64.5 Å²	64.5	8%	0.078	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-60.6	154.7	176.1	-13.4	23.3	0	0	0	111.6	A182 L409 Y445	A182-P405 WeakPolarHBondContact O-CD 3.31Å; P405-L409 HydrophobicContact CB-CD1 3.7Å; P405-Y445 VanDerWaalsContact O-CD1 3.23Å; P405-Y445 WeakPolarHBondContact O-CD1 3.2Å
406	N	98.1	Very high	98.1	Very high	30 Å²	30	73.8 Å²	73.8	16%	0.16	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-52.6	131	175.9	-177.7	-36.9	0	0	0	111.3	E408 L409 E446 K447	N406-E408 PolarHBondContact O-N 2.83Å; N406-E408 VanDerWaalsContact OD1-CB 3.29Å; N406-E408 WeakPolarHBondContact OD1-CB 3.41Å; N406-E408 PolarHBondContact OD1-N 2.94Å; N406-L409 WeakPolarHBondContact O-CB 3.23Å; N406-L409 WeakPolarHBondContact O-CG 3.45Å; N406-L409 PolarHBondContact O-N 2.83Å; N406-E446 WeakPolarHBondContact CA-O 3.33Å; N406-K447 PolarHBondContact ND2-O 2.7Å; N406-K447 PolarHBondContact ND2-OXT 2.64Å
407	P	97.2	Very high	98.1	Very high	26 Å²	26	80.6 Å²	80.6	17%	0.169	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-54.5	-24	178.9	-26.5	34.9	0	0	0	114.8	L409 L410 Y445	P407-L409 PolarHBondContact O-N 3.18Å; P407-L410 VanDerWaalsContact O-CD2 3.25Å; P407-L410 WeakPolarHBondContact O-CD2 3.46Å; P407-L410 WeakPolarHBondContact O-CG 3.48Å; P407-L410 PolarHBondContact O-N 3.12Å; P407-L410 VanDerWaalsContact O-N 3.12Å; P407-Y445 HydrophobicContact CG-CD1 3.69Å; P407-Y445 HydrophobicContact CG-CE1 4.36Å; P407-Y445 HydrophobicContact CG-CG 4.1Å
408	E	96.8	Very high	98	Very high	64 Å²	64	79.3 Å²	79.3	30%	0.299	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-55.4	-32.2	173.6	-179.5	163.8	-166.9	0	0	112.2	N406 L410 F411 R426 F430	N406-E408 PolarHBondContact O-N 2.83Å; N406-E408 VanDerWaalsContact OD1-CB 3.29Å; N406-E408 WeakPolarHBondContact OD1-CB 3.41Å; N406-E408 PolarHBondContact OD1-N 2.94Å; E408-L410 PolarHBondContact O-N 3.03Å; E408-L410 VanDerWaalsContact O-N 3.07Å; E408-F411 PolarHBondContact O-N 2.78Å; E408-R426 HydrophobicContact CG-CG 4.41Å; E408-R426 WeakPolarHBondContact OE1-CD 3.43Å; E408-R426 IonicContact OE1-CZ 3.75Å; E408-R426 IonicContact OE1-NE 2.69Å; E408-R426 IonicContact OE1-NH1 3.59Å; E408-R426 PolarHBondContact OE1-NH1 3.43Å; E408-F430 HydrophobicContact CB-CE2 3.84Å; E408-F430 HydrophobicContact CB-CZ 3.69Å; E408-F430 HydrophobicContact CG-CE2 4.29Å
409	L	98.1	Very high	98	Very high	50 Å²	50	76.3 Å²	76.3	26%	0.262	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-64.5	-14	-178.7	-62.4	-179	0	0	0	113.1	K189 R191 P405 N406 P407 F411 T412	K189-L409 HydrophobicContact CB-CD1 4.34Å; K189-L409 HydrophobicContact CD-CD1 4.37Å; K189-L409 HydrophobicContact CD-CD2 4.47Å; K189-L409 HydrophobicContact CG-CD1 4.32Å; R191-L409 VanDerWaalsContact CZ-O 3.3Å; R191-L409 PolarHBondContact NE-O 3.13Å; R191-L409 VanDerWaalsContact NE-O 3.11Å; R191-L409 PolarHBondContact NH2-O 3.04Å; P405-L409 HydrophobicContact CB-CD1 3.7Å; N406-L409 WeakPolarHBondContact O-CB 3.23Å; N406-L409 WeakPolarHBondContact O-CG 3.45Å; N406-L409 PolarHBondContact O-N 2.83Å; P407-L409 PolarHBondContact O-N 3.18Å; L409-F411 PolarHBondContact O-N 2.91Å; L409-T412 PolarHBondContact O-N 2.88Å; L409-T412 PolarHBondContact O-OG1 2.81Å
410	L	98.1	Very high	98	Very high	97 Å²	97	81.6 Å²	81.6	51%	0.508	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.9	172.9	81.8	85.2	0	0	0	113	P407 E408 L429	P407-L410 VanDerWaalsContact O-CD2 3.25Å; P407-L410 WeakPolarHBondContact O-CD2 3.46Å; P407-L410 WeakPolarHBondContact O-CG 3.48Å; P407-L410 PolarHBondContact O-N 3.12Å; P407-L410 VanDerWaalsContact O-N 3.12Å; E408-L410 PolarHBondContact O-N 3.03Å; E408-L410 VanDerWaalsContact O-N 3.07Å; L410-L429 HydrophobicContact CD2-CD2 3.81Å
411	F	98.4	Very high	98.1	Very high	16 Å²	16	87.6 Å²	87.6	7%	0.07	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-98.7	-13	-179.2	-59.6	-80.9	0	0	0	114	E408 L409 M418 L422 Q425 R426 L429	E408-F411 PolarHBondContact O-N 2.78Å; L409-F411 PolarHBondContact O-N 2.91Å; F411-M418 HydrophobicContact CB-CE 3.83Å; F411-M418 HydrophobicContact CB-SD 4.38Å; F411-L422 HydrophobicContact CB-CG 4.33Å; F411-L422 HydrophobicContact CD1-CD1 3.75Å; F411-L422 HydrophobicContact CD1-CG 4.3Å; F411-L422 VanDerWaalsContact O-CD2 3.22Å; F411-L422 WeakPolarHBondContact O-CD2 3.47Å; F411-Q425 HydrophobicContact CD1-CB 4.46Å; F411-Q425 HydrophobicContact CE1-CB 3.9Å; F411-R426 HydrophobicContact CB-CB 4.37Å; F411-R426 HydrophobicContact CD1-CB 4.13Å; F411-R426 HydrophobicContact CD2-CB 3.74Å; F411-R426 HydrophobicContact CD2-CG 3.69Å; F411-R426 HydrophobicContact CE1-CB 4.36Å; F411-R426 HydrophobicContact CE2-CB 3.98Å; F411-R426 HydrophobicContact CE2-CG 4.02Å; F411-R426 HydrophobicContact CG-CB 3.82Å; F411-R426 HydrophobicContact CG-CG 4.18Å; F411-R426 HydrophobicContact CZ-CB 4.28Å; F411-L429 HydrophobicContact CE2-CB 4.18Å; F411-L429 HydrophobicContact CE2-CD2 3.55Å; F411-L429 HydrophobicContact CZ-CB 3.89Å; F411-L429 HydrophobicContact CZ-CD2 3.78Å; F411-L429 HydrophobicContact CZ-CG 4.47Å
412	T	98.2	Very high	98.1	Very high	31 Å²	31	79.5 Å²	79.5	19%	0.19	39%	0.388	C	S	.	.	S	Bend	trans	-87.9	158.6	-177.1	57.6	0	0	0	0	111.5	R191 L409 V414 M418	R191-T412 VanDerWaalsContact CZ-O 3.29Å; R191-T412 PolarHBondContact NH2-O 2.99Å; R191-T412 PolarHBondContact NH2-OG1 3.03Å; L409-T412 PolarHBondContact O-N 2.88Å; L409-T412 PolarHBondContact O-OG1 2.81Å; T412-V414 PolarHBondContact O-N 3.24Å; T412-M418 HydrophobicContact CG2-CE 3.76Å
413	D	98.3	Very high	98.1	Very high	91 Å²	91	76.2 Å²	76.2	49%	0.487	38%	0.381	S	S	.	.	S	Bend	trans	58	9.6	-179.5	-33.2	-54.5	0	0	0	116.8	K189 R191 Y415	K189-D413 WeakPolarHBondContact CE-OD2 3.35Å; K189-D413 IonicContact NZ-OD1 2.81Å; K189-D413 PolarHBondContact NZ-OD1 3.2Å; K189-D413 IonicContact NZ-OD2 3.05Å; K189-D413 PolarHBondContact NZ-OD2 2.88Å; R191-D413 IonicContact CZ-OD2 3.76Å; R191-D413 VanDerWaalsContact CZ-OD2 3.23Å; R191-D413 IonicContact NH1-OD2 2.76Å; R191-D413 PolarHBondContact NH1-OD2 3.14Å; R191-D413 IonicContact NH2-OD2 3.03Å; R191-D413 PolarHBondContact NH2-OD2 3.13Å; D413-Y415 CarbonylContact C-O 3.57Å; D413-Y415 WeakPolarHBondContact CA-O 3.39Å
414	V	98.3	Very high	98.1	Very high	85 Å²	85	79.9 Å²	79.9	52%	0.515	39%	0.394	S	S	.	.	S	Bend	trans	-60.1	-41.6	164.3	-179.9	0	0	0	0	109.5	T412 L422	T412-V414 PolarHBondContact O-N 3.24Å; V414-L422 HydrophobicContact CB-CD2 3.77Å; V414-L422 HydrophobicContact CG1-CD2 4.23Å; V414-L422 HydrophobicContact CG2-CD2 3.87Å
415	Y	98.2	Very high	98.1	Very high	151 Å²	151	81.6 Å²	81.6	59%	0.592	40%	0.403	S	S	*	.	S	Bend	trans	-129.2	166.4	163.4	-65.9	-89.1	0	0	0	107.4	D413 E417 V419	D413-Y415 CarbonylContact C-O 3.57Å; D413-Y415 WeakPolarHBondContact CA-O 3.39Å; Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-E417 WeakPolarHBondContact CB-O 3.28Å; Y415-E417 PolarHBondContact O-N 3.2Å; Y415-V419 HydrophobicContact CD2-CG1 4.21Å; Y415-V419 HydrophobicContact CD2-CG2 4.49Å; Y415-V419 HydrophobicContact CG-CG1 4.47Å
416	Q	97.7	Very high	98.1	Very high	196 Å²	196	84.3 Å²	84.3	92%	0.916	41%	0.411	S	S	*	.	S	Bend	trans	-58.1	-45.6	174.8	-176.3	-178.7	17	0	0	111.6
417	E	97.9	Very high	98.1	Very high	159 Å²	159	87.9 Å²	87.9	74%	0.743	43%	0.427	S	S	*	.	S	Bend	trans	-109.7	134.2	172.7	-65.3	-175.1	176.4	0	0	110	Y415 V419	Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-E417 WeakPolarHBondContact CB-O 3.28Å; Y415-E417 PolarHBondContact O-N 3.2Å; E417-V419 PolarHBondContact O-N 3.07Å; E417-V419 VanDerWaalsContact O-N 3.16Å
418	M	98.2	Very high	98.2	Very high	56 Å²	56	89.7 Å²	89.7	28%	0.276	44%	0.44	S	S	.	.			trans	-68	114.5	-179.8	-171	-178.9	-58.5	0	0	110.4	F411 T412 L422 A423	F411-M418 HydrophobicContact CB-CE 3.83Å; F411-M418 HydrophobicContact CB-SD 4.38Å; T412-M418 HydrophobicContact CG2-CE 3.76Å; M418-L422 HydrophobicContact CG-CB 3.88Å; M418-L422 HydrophobicContact CG-CD2 4Å; M418-L422 HydrophobicContact CG-CG 3.92Å; M418-L422 HydrophobicContact SD-CG 4.49Å; M418-A423 HydrophobicContact CG-CB 4.43Å; M418-A423 HydrophobicContact SD-CB 4.05Å
419	V	98.3	Very high	98.2	Very high	58 Å²	58	88.3 Å²	88.3	35%	0.352	44%	0.435	S	S	.	.			trans	-66.6	151.3	179.5	-62	0	0	0	0	111.8	Y415 E417 R421 L422 A423	Y415-V419 HydrophobicContact CD2-CG1 4.21Å; Y415-V419 HydrophobicContact CD2-CG2 4.49Å; Y415-V419 HydrophobicContact CG-CG1 4.47Å; E417-V419 PolarHBondContact O-N 3.07Å; E417-V419 VanDerWaalsContact O-N 3.16Å; V419-R421 PolarHBondContact O-N 2.76Å; V419-R421 VanDerWaalsContact O-N 3.08Å; V419-L422 HydrophobicContact CG2-CB 3.75Å; V419-L422 WeakPolarHBondContact O-CA 3.24Å; V419-L422 WeakPolarHBondContact O-CB 3.45Å; V419-L422 PolarHBondContact O-N 2.75Å; V419-A423 PolarHBondContact O-N 2.81Å
420	P	98.4	Very high	98.2	Very high	115 Å²	115	89.3 Å²	89.3	75%	0.747	44%	0.437	S	S	*	.	H	α-helix	trans	-55.2	-35.1	-174.1	-29.5	35.5	0	0	0	114.9	L422 A423 K424	P420-L422 VanDerWaalsContact C-N 3.33Å; P420-L422 PolarHBondContact O-N 3.08Å; P420-A423 PolarHBondContact O-N 3.16Å; P420-K424 PolarHBondContact O-N 3.44Å
421	R	98.1	Very high	98.2	Very high	196 Å²	196	92.1 Å²	92.1	74%	0.74	44%	0.441	S	S	*	.	H	α-helix	trans	-66.2	-36.3	176.7	-174.1	175.5	177.6	172	-0.6	112.2	V419 K424 Q425	V419-R421 PolarHBondContact O-N 2.76Å; V419-R421 VanDerWaalsContact O-N 3.08Å; R421-K424 PolarHBondContact O-N 3.05Å; R421-Q425 WeakPolarHBondContact O-CG 3.4Å; R421-Q425 PolarHBondContact O-N 3.16Å; R421-Q425 VanDerWaalsContact O-N 3.16Å
422	L	98.3	Very high	98.2	Very high	19 Å²	19	95 Å²	95	10%	0.099	45%	0.454	C	S	.	.	H	α-helix	trans	-73.8	-38.1	178.3	-168.9	59.3	0	0	0	110.7	F411 V414 M418 V419 P420 K424 Q425 R426	F411-L422 HydrophobicContact CB-CG 4.33Å; F411-L422 HydrophobicContact CD1-CD1 3.75Å; F411-L422 HydrophobicContact CD1-CG 4.3Å; F411-L422 VanDerWaalsContact O-CD2 3.22Å; F411-L422 WeakPolarHBondContact O-CD2 3.47Å; V414-L422 HydrophobicContact CB-CD2 3.77Å; V414-L422 HydrophobicContact CG1-CD2 4.23Å; V414-L422 HydrophobicContact CG2-CD2 3.87Å; M418-L422 HydrophobicContact CG-CB 3.88Å; M418-L422 HydrophobicContact CG-CD2 4Å; M418-L422 HydrophobicContact CG-CG 3.92Å; M418-L422 HydrophobicContact SD-CG 4.49Å; V419-L422 HydrophobicContact CG2-CB 3.75Å; V419-L422 WeakPolarHBondContact O-CA 3.24Å; V419-L422 WeakPolarHBondContact O-CB 3.45Å; V419-L422 PolarHBondContact O-N 2.75Å; P420-L422 VanDerWaalsContact C-N 3.33Å; P420-L422 PolarHBondContact O-N 3.08Å; L422-K424 VanDerWaalsContact C-N 3.34Å; L422-K424 PolarHBondContact O-N 3.04Å; L422-Q425 WeakPolarHBondContact O-CB 3.39Å; L422-Q425 PolarHBondContact O-N 3.41Å; L422-Q425 VanDerWaalsContact O-N 3.14Å; L422-R426 PolarHBondContact O-N 2.87Å
423	A	98.3	Very high	98.2	Very high	22 Å²	22	94.4 Å²	94.4	18%	0.182	45%	0.45	C	S	.	.	H	α-helix	trans	-59	-43.1	170.8	0	0	0	0	0	112.1	M418 V419 P420 Q425 R426 E427	M418-A423 HydrophobicContact CG-CB 4.43Å; M418-A423 HydrophobicContact SD-CB 4.05Å; V419-A423 PolarHBondContact O-N 2.81Å; P420-A423 PolarHBondContact O-N 3.16Å; A423-Q425 VanDerWaalsContact C-N 3.32Å; A423-Q425 PolarHBondContact O-N 3.14Å; A423-R426 WeakPolarHBondContact O-CB 3.39Å; A423-R426 PolarHBondContact O-N 3.44Å; A423-E427 WeakPolarHBondContact O-CG 3.45Å; A423-E427 PolarHBondContact O-N 2.92Å
424	K	98.6	Very high	98.1	Very high	146 Å²	146	97.6 Å²	97.6	64%	0.635	46%	0.462	S	S	*	.	H	α-helix	trans	-62.7	-36.5	174.6	-172.5	178.1	-178.6	178.2	0	112.8	P420 R421 L422 S428	P420-K424 PolarHBondContact O-N 3.44Å; R421-K424 PolarHBondContact O-N 3.05Å; L422-K424 VanDerWaalsContact C-N 3.34Å; L422-K424 PolarHBondContact O-N 3.04Å; K424-S428 WeakPolarHBondContact O-CB 3.4Å; K424-S428 PolarHBondContact O-N 3.24Å
425	Q	98.7	Very high	98.1	Very high	94 Å²	94	99.6 Å²	99.6	44%	0.439	47%	0.466	S	S	.	.	H	α-helix	trans	-67.1	-43.2	174.7	-72.6	171.9	-11.2	0	0	111.4	F411 R421 L422 A423 S428 L429	F411-Q425 HydrophobicContact CD1-CB 4.46Å; F411-Q425 HydrophobicContact CE1-CB 3.9Å; R421-Q425 WeakPolarHBondContact O-CG 3.4Å; R421-Q425 PolarHBondContact O-N 3.16Å; R421-Q425 VanDerWaalsContact O-N 3.16Å; L422-Q425 WeakPolarHBondContact O-CB 3.39Å; L422-Q425 PolarHBondContact O-N 3.41Å; L422-Q425 VanDerWaalsContact O-N 3.14Å; A423-Q425 VanDerWaalsContact C-N 3.32Å; A423-Q425 PolarHBondContact O-N 3.14Å; Q425-S428 WeakPolarHBondContact O-CB 3.37Å; Q425-S428 PolarHBondContact O-N 3.49Å; Q425-L429 PolarHBondContact O-N 3.49Å
426	R	98.3	Very high	98.1	Very high	69 Å²	69	96.6 Å²	96.6	26%	0.26	45%	0.454	S	S	.	.	H	α-helix	trans	-55.1	-53.1	172.4	-176.6	-165.2	68.9	-178.6	-1	111.2	E408 F411 L422 A423 S428 L429 F430	E408-R426 HydrophobicContact CG-CG 4.41Å; E408-R426 WeakPolarHBondContact OE1-CD 3.43Å; E408-R426 IonicContact OE1-CZ 3.75Å; E408-R426 IonicContact OE1-NE 2.69Å; E408-R426 IonicContact OE1-NH1 3.59Å; E408-R426 PolarHBondContact OE1-NH1 3.43Å; F411-R426 HydrophobicContact CB-CB 4.37Å; F411-R426 HydrophobicContact CD1-CB 4.13Å; F411-R426 HydrophobicContact CD2-CB 3.74Å; F411-R426 HydrophobicContact CD2-CG 3.69Å; F411-R426 HydrophobicContact CE1-CB 4.36Å; F411-R426 HydrophobicContact CE2-CB 3.98Å; F411-R426 HydrophobicContact CE2-CG 4.02Å; F411-R426 HydrophobicContact CG-CB 3.82Å; F411-R426 HydrophobicContact CG-CG 4.18Å; F411-R426 HydrophobicContact CZ-CB 4.28Å; L422-R426 PolarHBondContact O-N 2.87Å; A423-R426 WeakPolarHBondContact O-CB 3.39Å; A423-R426 PolarHBondContact O-N 3.44Å; R426-S428 VanDerWaalsContact C-N 3.27Å; R426-S428 PolarHBondContact O-N 3.18Å; R426-L429 PolarHBondContact O-N 2.94Å; R426-L429 VanDerWaalsContact O-N 3.1Å; R426-F430 HydrophobicContact CG-CD2 3.86Å; R426-F430 HydrophobicContact CG-CE2 3.83Å; R426-F430 VanDerWaalsContact O-CD2 3.32Å; R426-F430 WeakPolarHBondContact O-CD2 3.46Å; R426-F430 PolarHBondContact O-N 3.04Å
427	E	98.4	Very high	98	Very high	105 Å²	105	93.7 Å²	93.7	49%	0.491	44%	0.438	S	S	.	.	H	α-helix	trans	-58.6	-38.1	176.9	-71.6	169	-170	0	0	112.7	A423 R431	A423-E427 WeakPolarHBondContact O-CG 3.45Å; A423-E427 PolarHBondContact O-N 2.92Å; E427-R431 WeakPolarHBondContact O-CG 3.33Å; E427-R431 PolarHBondContact O-N 3.02Å
428	S	98.5	Very high	97.9	Very high	63 Å²	63	92.2 Å²	92.2	44%	0.441	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175	-166.5	0	0	0	0	112.1	K424 Q425 R426 H432	K424-S428 WeakPolarHBondContact O-CB 3.4Å; K424-S428 PolarHBondContact O-N 3.24Å; Q425-S428 WeakPolarHBondContact O-CB 3.37Å; Q425-S428 PolarHBondContact O-N 3.49Å; R426-S428 VanDerWaalsContact C-N 3.27Å; R426-S428 PolarHBondContact O-N 3.18Å; S428-H432 WeakPolarHBondContact O-CB 3.46Å; S428-H432 PolarHBondContact O-N 2.78Å; S428-H432 VanDerWaalsContact O-N 3.08Å
429	L	98.1	Very high	97.9	Very high	36 Å²	36	96.3 Å²	96.3	19%	0.188	45%	0.449	C	S	.	.	H	α-helix	trans	-63.8	-47.7	176.7	179	67.5	0	0	0	111	L410 F411 Q425 R426 R431 H432 I433	L410-L429 HydrophobicContact CD2-CD2 3.81Å; F411-L429 HydrophobicContact CE2-CB 4.18Å; F411-L429 HydrophobicContact CE2-CD2 3.55Å; F411-L429 HydrophobicContact CZ-CB 3.89Å; F411-L429 HydrophobicContact CZ-CD2 3.78Å; F411-L429 HydrophobicContact CZ-CG 4.47Å; Q425-L429 PolarHBondContact O-N 3.49Å; R426-L429 PolarHBondContact O-N 2.94Å; R426-L429 VanDerWaalsContact O-N 3.1Å; L429-R431 PolarHBondContact O-N 3.07Å; L429-H432 CarbonylContact O-C 2.83Å; L429-H432 WeakPolarHBondContact O-CA 3.38Å; L429-H432 WeakPolarHBondContact O-CB 3.43Å; L429-H432 PolarHBondContact O-N 3.1Å; L429-I433 HydrophobicContact CD1-CD1 4.09Å; L429-I433 HydrophobicContact CD1-CG1 4.17Å; L429-I433 HydrophobicContact CD2-CD1 4.13Å; L429-I433 HydrophobicContact CG-CD1 3.78Å; L429-I433 HydrophobicContact CG-CG1 4.22Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.08Å
430	F	97.1	Very high	97.9	Very high	70 Å²	70	97.6 Å²	97.6	31%	0.307	45%	0.449	S	S	.	.	H	α-helix	trans	-68.3	-33.5	-176.8	-80.1	-77	0	0	0	113.1	E408 R426 H432 I433 Q434	E408-F430 HydrophobicContact CB-CE2 3.84Å; E408-F430 HydrophobicContact CB-CZ 3.69Å; E408-F430 HydrophobicContact CG-CE2 4.29Å; R426-F430 HydrophobicContact CG-CD2 3.86Å; R426-F430 HydrophobicContact CG-CE2 3.83Å; R426-F430 VanDerWaalsContact O-CD2 3.32Å; R426-F430 WeakPolarHBondContact O-CD2 3.46Å; R426-F430 PolarHBondContact O-N 3.04Å; F430-H432 VanDerWaalsContact C-N 3.32Å; F430-I433 PolarHBondContact O-N 3.36Å; F430-Q434 WeakPolarHBondContact O-CB 3.32Å; F430-Q434 PolarHBondContact O-N 3.48Å
431	R	98.4	Very high	97.8	Very high	157 Å²	157	95.8 Å²	95.8	59%	0.592	44%	0.437	S	S	*	.	H	α-helix	trans	-62	-40.6	167.8	-75.1	-172.3	-64.5	165.4	1.4	111.9	E427 L429 Q434 Q435	E427-R431 WeakPolarHBondContact O-CG 3.33Å; E427-R431 PolarHBondContact O-N 3.02Å; L429-R431 PolarHBondContact O-N 3.07Å; R431-Q434 PolarHBondContact O-N 3.43Å; R431-Q435 PolarHBondContact O-N 2.83Å; R431-Q435 VanDerWaalsContact O-N 3.11Å
432	H	98.3	Very high	97.7	Very high	75 Å²	75	89.2 Å²	89.2	35%	0.347	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-47.8	176.9	-173.1	89.3	0	0	0	111.6	S428 L429 F430 Q434 Q435 Y436 Y440	S428-H432 WeakPolarHBondContact O-CB 3.46Å; S428-H432 PolarHBondContact O-N 2.78Å; S428-H432 VanDerWaalsContact O-N 3.08Å; L429-H432 CarbonylContact O-C 2.83Å; L429-H432 WeakPolarHBondContact O-CA 3.38Å; L429-H432 WeakPolarHBondContact O-CB 3.43Å; L429-H432 PolarHBondContact O-N 3.1Å; F430-H432 VanDerWaalsContact C-N 3.32Å; H432-Q434 VanDerWaalsContact C-N 3.28Å; H432-Q434 PolarHBondContact O-N 2.83Å; H432-Q435 PolarHBondContact O-N 3.1Å; H432-Q435 VanDerWaalsContact O-N 3.1Å; H432-Y436 AromaticContact CD2-CD2 3.89Å; H432-Y436 AromaticContact CE1-CD2 3.23Å; H432-Y436 WeakPolarHBondContact CE1-CD2 3.35Å; H432-Y436 AromaticContact CE1-CE2 3.53Å; H432-Y436 AromaticContact CG-CD2 3.76Å; H432-Y436 AromaticContact ND1-CD2 3.35Å; H432-Y436 VanDerWaalsContact ND1-CD2 3.35Å; H432-Y436 WeakPolarHBondContact ND1-CD2 3.23Å; H432-Y436 AromaticContact ND1-CE2 3.5Å; H432-Y436 AromaticContact NE2-CD2 3.58Å; H432-Y436 VanDerWaalsContact O-CD2 3.3Å; H432-Y436 WeakPolarHBondContact O-CD2 3.29Å; H432-Y436 PolarHBondContact O-N 2.85Å; H432-Y440 AromaticContact CD2-CE2 3.57Å; H432-Y440 AromaticContact CD2-CZ 3.67Å; H432-Y440 PolarHBondContact CD2-OH 2.93Å; H432-Y440 AromaticContact NE2-CE2 3.75Å; H432-Y440 AromaticContact NE2-CZ 3.89Å; H432-Y440 PolarHBondContact NE2-OH 2.71Å; H432-Y440 VanDerWaalsContact NE2-OH 3.13Å
433	I	97.1	Very high	97.7	Very high	19 Å²	19	95.8 Å²	95.8	10%	0.097	45%	0.451	C	S	.	.	H	α-helix	trans	-58.7	-41.5	175.4	-70.4	175.2	0	0	0	110.5	L429 F430 Q435 Y436 K437 Y440 L442	L429-I433 HydrophobicContact CD1-CD1 4.09Å; L429-I433 HydrophobicContact CD1-CG1 4.17Å; L429-I433 HydrophobicContact CD2-CD1 4.13Å; L429-I433 HydrophobicContact CG-CD1 3.78Å; L429-I433 HydrophobicContact CG-CG1 4.22Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.08Å; F430-I433 PolarHBondContact O-N 3.36Å; I433-Q435 VanDerWaalsContact C-N 3.3Å; I433-Q435 PolarHBondContact O-N 2.8Å; I433-Y436 PolarHBondContact O-N 3.07Å; I433-K437 WeakPolarHBondContact O-CA 3.3Å; I433-K437 WeakPolarHBondContact O-CB 3.44Å; I433-K437 PolarHBondContact O-N 2.95Å; I433-Y440 HydrophobicContact CG1-CD2 4.49Å; I433-L442 HydrophobicContact CG2-CD1 3.69Å; I433-L442 HydrophobicContact CG2-CD2 3.95Å; I433-L442 HydrophobicContact CG2-CG 4.45Å
434	Q	96.6	Very high	97.6	Very high	159 Å²	159	99.5 Å²	99.5	74%	0.743	47%	0.467	S	S	*	.	H	α-helix	trans	-61.8	-38.5	177.1	-173.5	178.5	13.3	0	0	112.4	F430 R431 H432	F430-Q434 WeakPolarHBondContact O-CB 3.32Å; F430-Q434 PolarHBondContact O-N 3.48Å; R431-Q434 PolarHBondContact O-N 3.43Å; H432-Q434 VanDerWaalsContact C-N 3.28Å; H432-Q434 PolarHBondContact O-N 2.83Å
435	Q	98.3	Very high	97.5	Very high	127 Å²	127	96.7 Å²	96.7	59%	0.593	45%	0.454	S	S	*	.	H	α-helix	trans	-79.3	-33.7	-179	-176.6	175.2	-1	0	0	113.5	R431 H432 I433	R431-Q435 PolarHBondContact O-N 2.83Å; R431-Q435 VanDerWaalsContact O-N 3.11Å; H432-Q435 PolarHBondContact O-N 3.1Å; H432-Q435 VanDerWaalsContact O-N 3.1Å; I433-Q435 VanDerWaalsContact C-N 3.3Å; I433-Q435 PolarHBondContact O-N 2.8Å
436	Y	97.9	Very high	97.4	Very high	87 Å²	87	95.2 Å²	95.2	34%	0.341	45%	0.446	S	S	.	.	S	Bend	trans	-124	29.3	-169.7	-58.6	-75.4	0	0	0	112.7	H432 I433 E438 H439 Y440	H432-Y436 AromaticContact CD2-CD2 3.89Å; H432-Y436 AromaticContact CE1-CD2 3.23Å; H432-Y436 WeakPolarHBondContact CE1-CD2 3.35Å; H432-Y436 AromaticContact CE1-CE2 3.53Å; H432-Y436 AromaticContact CG-CD2 3.76Å; H432-Y436 AromaticContact ND1-CD2 3.35Å; H432-Y436 VanDerWaalsContact ND1-CD2 3.35Å; H432-Y436 WeakPolarHBondContact ND1-CD2 3.23Å; H432-Y436 AromaticContact ND1-CE2 3.5Å; H432-Y436 AromaticContact NE2-CD2 3.58Å; H432-Y436 VanDerWaalsContact O-CD2 3.3Å; H432-Y436 WeakPolarHBondContact O-CD2 3.29Å; H432-Y436 PolarHBondContact O-N 2.85Å; I433-Y436 PolarHBondContact O-N 3.07Å; Y436-E438 PolarHBondContact O-N 3.49Å; Y436-E438 VanDerWaalsContact O-N 3.07Å; Y436-H439 PolarHBondContact O-N 3.13Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.21Å
437	K	96	Very high	97	Very high	136 Å²	136	103.5 Å²	103.5	59%	0.591	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-53.1	-33.8	-170.9	62.7	-177.8	-177.5	178	0	113.9	I433 H439 Y440 L442	I433-K437 WeakPolarHBondContact O-CA 3.3Å; I433-K437 WeakPolarHBondContact O-CB 3.44Å; I433-K437 PolarHBondContact O-N 2.95Å; K437-H439 PolarHBondContact O-N 3.02Å; K437-Y440 PolarHBondContact O-N 2.96Å; K437-Y440 VanDerWaalsContact O-N 3.14Å; K437-L442 HydrophobicContact CB-CD1 3.9Å
438	E	97.1	Very high	96.9	Very high	128 Å²	128	103.5 Å²	103.5	60%	0.598	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.5	-179	65.3	-88.6	-153.2	0	0	113.6	Y436	Y436-E438 PolarHBondContact O-N 3.49Å; Y436-E438 VanDerWaalsContact O-N 3.07Å
439	H	97.8	Very high	96.8	Very high	141 Å²	141	105.6 Å²	105.6	65%	0.653	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-97	1.4	178.3	-58.2	-44.5	0	0	0	113.2	Y436 K437	Y436-H439 PolarHBondContact O-N 3.13Å; K437-H439 PolarHBondContact O-N 3.02Å
440	Y	97.6	Very high	96.8	Very high	86 Å²	86	109.4 Å²	109.4	34%	0.337	50%	0.503	S	S	.	.	S	Bend	trans	-116.6	143.3	179.9	-73	-90.7	0	0	0	111.6	H432 I433 Y436 K437 L442	H432-Y440 AromaticContact CD2-CE2 3.57Å; H432-Y440 AromaticContact CD2-CZ 3.67Å; H432-Y440 PolarHBondContact CD2-OH 2.93Å; H432-Y440 AromaticContact NE2-CE2 3.75Å; H432-Y440 AromaticContact NE2-CZ 3.89Å; H432-Y440 PolarHBondContact NE2-OH 2.71Å; H432-Y440 VanDerWaalsContact NE2-OH 3.13Å; I433-Y440 HydrophobicContact CG1-CD2 4.49Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.21Å; K437-Y440 PolarHBondContact O-N 2.96Å; K437-Y440 VanDerWaalsContact O-N 3.14Å; Y440-L442 PolarHBondContact O-N 3.31Å
441	P	97.1	Very high	96.7	Very high	76 Å²	76	111.8 Å²	111.8	49%	0.494	52%	0.515	S	S	.	.			trans	-80.2	51.9	-179.7	34.7	-37.3	0	0	0	112.3	D443 L444 Y445	P441-D443 VanDerWaalsContact C-N 3.27Å; P441-D443 PolarHBondContact O-N 3.04Å; P441-L444 HydrophobicContact CB-CD1 4.27Å; P441-L444 PolarHBondContact O-N 3.11Å; P441-Y445 HydrophobicContact CG-CE2 4.07Å; P441-Y445 VanDerWaalsContact O-CD2 3.24Å; P441-Y445 WeakPolarHBondContact O-CD2 3.41Å
442	L	96.1	Very high	96.6	Very high	59 Å²	59	108.9 Å²	108.9	31%	0.309	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-65.2	-25.8	-168.8	-60.2	175.8	0	0	0	114	I433 K437 Y440 L444 Y445	I433-L442 HydrophobicContact CG2-CD1 3.69Å; I433-L442 HydrophobicContact CG2-CD2 3.95Å; I433-L442 HydrophobicContact CG2-CG 4.45Å; K437-L442 HydrophobicContact CB-CD1 3.9Å; Y440-L442 PolarHBondContact O-N 3.31Å; L442-L444 PolarHBondContact O-N 3.39Å; L442-L444 VanDerWaalsContact O-N 3.13Å; L442-Y445 PolarHBondContact O-N 2.9Å
443	D	96.9	Very high	96.5	Very high	156 Å²	156	111.2 Å²	111.2	83%	0.834	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-65.2	-15.4	178.6	-64.6	-29.6	0	0	0	113.1	L403 P441	L403-D443 WeakPolarHBondContact CD2-O 3.15Å; P441-D443 VanDerWaalsContact C-N 3.27Å; P441-D443 PolarHBondContact O-N 3.04Å
444	L	96.4	Very high	96.5	Very high	100 Å²	100	117.8 Å²	117.8	52%	0.524	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-88.9	-6.1	176.7	-57.6	-178	0	0	0	113.3	L403 K404 P441 L442	L403-L444 CarbonylContact C-O 3.57Å; L403-L444 WeakPolarHBondContact CA-O 3.42Å; K404-L444 WeakPolarHBondContact CB-O 3.25Å; K404-L444 WeakPolarHBondContact CG-O 3.33Å; K404-L444 PolarHBondContact N-O 3.44Å; P441-L444 HydrophobicContact CB-CD1 4.27Å; P441-L444 PolarHBondContact O-N 3.11Å; L442-L444 PolarHBondContact O-N 3.39Å; L442-L444 VanDerWaalsContact O-N 3.13Å
445	Y	97.8	Very high	96.5	Very high	88 Å²	88	114.6 Å²	114.6	35%	0.345	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-114.4	147.5	-171.6	-68.9	-108.2	0	0	0	111.3	K404 P405 P407 P441 L442	K404-Y445 HydrophobicContact CB-CD1 3.6Å; K404-Y445 HydrophobicContact CB-CD2 4.32Å; K404-Y445 HydrophobicContact CB-CE1 3.72Å; K404-Y445 HydrophobicContact CB-CE2 4.42Å; K404-Y445 HydrophobicContact CB-CG 3.91Å; K404-Y445 HydrophobicContact CG-CD1 4.48Å; K404-Y445 HydrophobicContact CG-CE1 4.28Å; K404-Y445 HydrophobicContact CG-CE2 4.31Å; K404-Y445 CarbonylContact O-C 3.58Å; K404-Y445 WeakPolarHBondContact O-CA 3.2Å; P405-Y445 VanDerWaalsContact O-CD1 3.23Å; P405-Y445 WeakPolarHBondContact O-CD1 3.2Å; P407-Y445 HydrophobicContact CG-CD1 3.69Å; P407-Y445 HydrophobicContact CG-CE1 4.36Å; P407-Y445 HydrophobicContact CG-CG 4.1Å; P441-Y445 HydrophobicContact CG-CE2 4.07Å; P441-Y445 VanDerWaalsContact O-CD2 3.24Å; P441-Y445 WeakPolarHBondContact O-CD2 3.41Å; L442-Y445 PolarHBondContact O-N 2.9Å
446	E	96.8	Very high	96.3	Very high	62 Å²	62	113.6 Å²	113.6	29%	0.29	53%	0.531	S	S	.	.			trans	-63.3	150.6	165.9	-68.9	-168.2	155.7	0	0	110.9	A184 R402 L403 K404 N406	A184-E446 HydrophobicContact CB-CG 3.85Å; A184-E446 VanDerWaalsContact CB-OE1 3.28Å; A184-E446 WeakPolarHBondContact CB-OE1 3.41Å; A184-E446 WeakPolarHBondContact CB-OE2 3.27Å; R402-E446 IonicContact CZ-OE1 2.92Å; R402-E446 IonicContact NH1-OE1 3.53Å; R402-E446 PolarHBondContact NH1-OE1 2.71Å; R402-E446 IonicContact NH2-OE1 2.7Å; R402-E446 PolarHBondContact NH2-OE1 3.11Å; L403-E446 HydrophobicContact CB-CG 3.87Å; L403-E446 HydrophobicContact CD1-CG 4.23Å; K404-E446 PolarHBondContact O-N 3.26Å; N406-E446 WeakPolarHBondContact CA-O 3.33Å
447	K	88.6	Confident	96.2	Very high	244 Å²	244	116 Å²	116	100%	1.061	55%	0.549	S	S	*	.			trans	-81	0	-174.9	-70.4	-173.2	179.5	178.8	0	113.7	N406	N406-K447 PolarHBondContact ND2-O 2.7Å; N406-K447 PolarHBondContact ND2-OXT 2.64Å

Retrieved 447 of 447 residues in 849 ms (Link to these results)

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