A0A087YII1_POEFO Loading...

Sphingomyelin phosphodiesterase

Converts sphingomyelin to ceramide. Exists as two enzymatic forms that arise from alternative trafficking of a single protein precursor, one that is targeted to the endolysosomal compartment, whereas the other is released extracellularly. However, in response to various forms of stress, lysosomal exocytosis may represent a major source of the secretory form. In the lysosomes, converts sphingomyelin to ceramide. Plays an important role in the export of cholesterol from the intraendolysosomal membranes. Also has phospholipase C activities toward 1,2-diacylglycerolphosphocholine and 1,2-diacylglycerolphosphoglycerol. Modulates stress-induced apoptosis through the production of ceramide. This form is generated following cleavage by CASP7 in the extracellular milieu in response to bacterial infection. It shows increased ability to convert sphingomyelin to ceramide and promotes plasma membrane repair. Plasma membrane repair by ceramide counteracts the action of gasdermin-D (GSDMD) perforin (PRF1) pores that are formed in response to bacterial infection.

AlphaFold DB (A0A3B3VP80), UniProt , Accession A0A087YII1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 601 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	28.1	Very low	247 Å²	247	150.5 Å²	150.5	100%	1.217	76%	0.763	S	S	*	*				0	111.1	0	-77.3	173	-175.6	0	0	107.6
2	R	23.3	Very low	28.4	Very low	251 Å²	251	146.8 Å²	146.8	95%	0.947	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-93.6	126.4	-178.9	-77	179.6	175.6	178.7	-1.5	108.4
3	L	25.4	Very low	28.6	Very low	163 Å²	163	140.3 Å²	140.3	85%	0.853	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-65.7	145	169.8	-83	92.1	0	0	0	110.3
4	P	30	Very low	28.6	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-76.6	144.3	172.5	28.7	-25.1	0	0	0	111.2	L6	P4-L6 PolarHBondContact O-N 3.46Å
5	T	27.9	Very low	28.7	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	67%	0.672	S	S	*	*			trans	-68.4	114.8	-173.7	44	0	0	0	0	113.5	R7	T5-R7 PolarHBondContact O-N 3.29Å
6	L	28.7	Very low	29.1	Very low	141 Å²	141	124.8 Å²	124.8	74%	0.738	65%	0.647	S	S	*	*			trans	-68.2	95.1	157	-110.5	81.8	0	0	0	108.7	P4	P4-L6 PolarHBondContact O-N 3.46Å
7	R	30.2	Very low	29.2	Very low	209 Å²	209	121.5 Å²	121.5	79%	0.789	63%	0.63	S	S	*	*			trans	-127	-25.1	170.8	-82.1	-173.8	175	-174.2	-2.2	115.8	T5	T5-R7 PolarHBondContact O-N 3.29Å
8	P	28.4	Very low	29.3	Very low	106 Å²	106	120.6 Å²	120.6	69%	0.688	63%	0.626	S	S	*	*	H	α-helix	trans	-77.6	-22.2	177.1	5.3	6	0	0	0	113.7
9	F	28.3	Very low	29.5	Very low	145 Å²	145	117.4 Å²	117.4	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-77.3	-23.8	-177.6	-108.8	-91.4	0	0	0	114.1	M13	F9-M13 WeakPolarHBondContact O-CG 3.47Å; F9-M13 PolarHBondContact O-N 3.08Å
10	L	28.3	Very low	29.6	Very low	118 Å²	118	112.6 Å²	112.6	62%	0.618	58%	0.584	S	S	*	*	H	α-helix	trans	-73.2	-33.8	-179.7	-115.7	81.7	0	0	0	112.5	M13 T14	L10-M13 PolarHBondContact O-N 3.19Å; L10-T14 PolarHBondContact O-N 2.77Å; L10-T14 PolarHBondContact O-OG1 2.61Å; L10-T14 VanDerWaalsContact O-OG1 3.09Å
11	G	26.6	Very low	29.6	Very low	43 Å²	43	110.2 Å²	110.2	44%	0.443	58%	0.577	S	S	.	*	H	α-helix	trans	-70.4	-36.9	-179	0	0	0	0	0	113.6	T14 C15	G11-T14 WeakPolarHBondContact CA-OG1 3.34Å; G11-T14 PolarHBondContact O-OG1 3.33Å; G11-C15 PolarHBondContact O-N 2.69Å
12	L	32.3	Very low	29.5	Very low	107 Å²	107	102.7 Å²	102.7	56%	0.56	55%	0.547	S	S	*	.	H	α-helix	trans	-69.9	-36	172.9	-117.1	90.6	0	0	0	111.8	C15 T16	L12-C15 PolarHBondContact O-N 3.1Å; L12-T16 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-OG1 3.4Å
13	M	30.6	Very low	29.9	Very low	62 Å²	62	92.3 Å²	92.3	31%	0.305	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-37.9	175.6	-81.9	-78.2	148.9	0	0	112.5	F9 L10 T16 L17 V84	F9-M13 WeakPolarHBondContact O-CG 3.47Å; F9-M13 PolarHBondContact O-N 3.08Å; L10-M13 PolarHBondContact O-N 3.19Å; M13-T16 VanDerWaalsContact CA-OG1 3.27Å; M13-T16 WeakPolarHBondContact CA-OG1 3.3Å; M13-T16 PolarHBondContact O-N 3.36Å; M13-T16 PolarHBondContact O-OG1 2.63Å; M13-T16 VanDerWaalsContact O-OG1 3.12Å; M13-L17 VanDerWaalsContact O-CB 3.31Å; M13-L17 WeakPolarHBondContact O-CB 3.5Å; M13-L17 WeakPolarHBondContact O-CD1 3.33Å; M13-L17 WeakPolarHBondContact O-CG 3.45Å; M13-L17 PolarHBondContact O-N 3.26Å; M13-V84 HydrophobicContact CE-CB 4.1Å; M13-V84 HydrophobicContact CE-CG1 3.27Å; M13-V84 HydrophobicContact SD-CG1 3.77Å
14	T	29.4	Very low	30.2	Very low	75 Å²	75	86.5 Å²	86.5	46%	0.46	48%	0.478	S	S	.	.	H	α-helix	trans	-69.5	-35.3	176.1	41.2	0	0	0	0	113.1	L10 G11 L18	L10-T14 PolarHBondContact O-N 2.77Å; L10-T14 PolarHBondContact O-OG1 2.61Å; L10-T14 VanDerWaalsContact O-OG1 3.09Å; G11-T14 WeakPolarHBondContact CA-OG1 3.34Å; G11-T14 PolarHBondContact O-OG1 3.33Å; T14-L18 PolarHBondContact O-N 2.93Å; T14-L18 VanDerWaalsContact O-N 3.12Å
15	C	30.1	Very low	29.9	Very low	54 Å²	54	83.2 Å²	83.2	37%	0.365	47%	0.465	S	S	.	.	H	α-helix	trans	-70.4	-36.3	173.2	-87.5	0	0	0	0	112.6	G11 L12 L19	G11-C15 PolarHBondContact O-N 2.69Å; L12-C15 PolarHBondContact O-N 3.1Å; C15-L19 WeakPolarHBondContact O-CD1 3.46Å; C15-L19 WeakPolarHBondContact O-CG 3.49Å; C15-L19 PolarHBondContact O-N 3.15Å
16	T	33.9	Very low	29.7	Very low	44 Å²	44	81 Å²	81	27%	0.27	45%	0.454	S	S	.	.	H	α-helix	trans	-69	-42.7	173.4	26.9	0	0	0	0	111	L12 M13 L18 L19 M20	L12-T16 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-OG1 3.4Å; M13-T16 VanDerWaalsContact CA-OG1 3.27Å; M13-T16 WeakPolarHBondContact CA-OG1 3.3Å; M13-T16 PolarHBondContact O-N 3.36Å; M13-T16 PolarHBondContact O-OG1 2.63Å; M13-T16 VanDerWaalsContact O-OG1 3.12Å; T16-L18 PolarHBondContact O-N 2.92Å; T16-L19 CarbonylContact O-C 3.5Å; T16-L19 WeakPolarHBondContact O-CA 3.48Å; T16-L19 PolarHBondContact O-N 3.41Å; T16-M20 WeakPolarHBondContact O-CG 3.45Å; T16-M20 PolarHBondContact O-N 3.12Å
17	L	31.1	Very low	29.5	Very low	69 Å²	69	78.2 Å²	78.2	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-36.5	177	-82.6	159.6	0	0	0	114	M13 L19 M20 S21 A88 L92	M13-L17 VanDerWaalsContact O-CB 3.31Å; M13-L17 WeakPolarHBondContact O-CB 3.5Å; M13-L17 WeakPolarHBondContact O-CD1 3.33Å; M13-L17 WeakPolarHBondContact O-CG 3.45Å; M13-L17 PolarHBondContact O-N 3.26Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-M20 PolarHBondContact O-N 3.48Å; L17-S21 PolarHBondContact O-N 3.13Å; L17-A88 HydrophobicContact CD2-CB 4.32Å; L17-L92 HydrophobicContact CD2-CD1 3.46Å; L17-L92 VanDerWaalsContact CD2-CD1 3.46Å
18	L	30.7	Very low	29.3	Very low	105 Å²	105	72.5 Å²	72.5	55%	0.55	43%	0.428	S	S	.	.	H	α-helix	trans	-72.8	-20.4	173.3	-84	156.7	0	0	0	113.6	T14 T16 S21	T14-L18 PolarHBondContact O-N 2.93Å; T14-L18 VanDerWaalsContact O-N 3.12Å; T16-L18 PolarHBondContact O-N 2.92Å; L18-S21 PolarHBondContact O-OG 3.31Å
19	L	33.6	Very low	29	Very low	59 Å²	59	72.2 Å²	72.2	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-91.2	-18.4	172.7	-73.5	165.5	0	0	0	112.7	C15 T16 L17 P22 L115	C15-L19 WeakPolarHBondContact O-CD1 3.46Å; C15-L19 WeakPolarHBondContact O-CG 3.49Å; C15-L19 PolarHBondContact O-N 3.15Å; T16-L19 CarbonylContact O-C 3.5Å; T16-L19 WeakPolarHBondContact O-CA 3.48Å; T16-L19 PolarHBondContact O-N 3.41Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L19-P22 WeakPolarHBondContact O-CD 2.9Å; L19-L115 HydrophobicContact CD1-CD2 4.48Å
20	M	31.4	Very low	28.7	Very low	21 Å²	21	69.2 Å²	69.2	10%	0.103	43%	0.428	C	S	.	.	H	α-helix	trans	-88.6	-13.4	177.2	-64.4	-38.3	-112.8	0	0	113.9	T16 L17 P22 L23 V85 F111	T16-M20 WeakPolarHBondContact O-CG 3.45Å; T16-M20 PolarHBondContact O-N 3.12Å; L17-M20 PolarHBondContact O-N 3.48Å; M20-P22 VanDerWaalsContact C-N 3.28Å; M20-L23 HydrophobicContact CE-CD1 3.42Å; M20-L23 VanDerWaalsContact CE-CD1 3.42Å; M20-L23 WeakPolarHBondContact O-CB 3.39Å; M20-L23 PolarHBondContact O-N 3.12Å; M20-L23 HydrophobicContact SD-CD1 3.42Å; M20-L23 WeakPolarHBondContact SD-CD1 3.45Å; M20-V85 HydrophobicContact CE-CB 4.25Å; M20-V85 HydrophobicContact CE-CG1 3.26Å; M20-V85 HydrophobicContact CE-CG2 3.99Å; M20-V85 HydrophobicContact CG-CG1 4.34Å; M20-F111 HydrophobicContact CE-CD1 4.32Å; M20-F111 HydrophobicContact CE-CE1 3.95Å; M20-F111 HydrophobicContact SD-CD1 4.38Å; M20-F111 HydrophobicContact SD-CE1 3.46Å; M20-F111 WeakPolarHBondContact SD-CE1 3.27Å; M20-F111 HydrophobicContact SD-CZ 3.81Å
21	S	29.2	Very low	28.5	Very low	64 Å²	64	70 Å²	70	45%	0.448	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-53.6	-28.7	174.4	20	0	0	0	0	116.2	L17 L18 L23	L17-S21 PolarHBondContact O-N 3.13Å; L18-S21 PolarHBondContact O-OG 3.31Å; S21-L23 VanDerWaalsContact C-N 3.35Å
22	P	30.5	Very low	28.4	Very low	89 Å²	89	73.9 Å²	73.9	58%	0.578	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-78.7	-15.4	174.6	-1.8	19.2	0	0	0	113.5	L19 M20 F24	L19-P22 WeakPolarHBondContact O-CD 2.9Å; M20-P22 VanDerWaalsContact C-N 3.28Å; P22-F24 VanDerWaalsContact C-N 3.35Å
23	L	30.9	Very low	28	Very low	32 Å²	32	74 Å²	74	17%	0.168	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-82.6	-11.9	-175.1	-66.7	172.2	0	0	0	113.6	M20 S21 F107 F111	M20-L23 HydrophobicContact CE-CD1 3.42Å; M20-L23 VanDerWaalsContact CE-CD1 3.42Å; M20-L23 WeakPolarHBondContact O-CB 3.39Å; M20-L23 PolarHBondContact O-N 3.12Å; M20-L23 HydrophobicContact SD-CD1 3.42Å; M20-L23 WeakPolarHBondContact SD-CD1 3.45Å; S21-L23 VanDerWaalsContact C-N 3.35Å; L23-F107 HydrophobicContact CD2-CD1 3.76Å; L23-F107 HydrophobicContact CD2-CE1 3.62Å; L23-F107 HydrophobicContact CD2-CZ 4.28Å; L23-F111 HydrophobicContact CD1-CE1 4.43Å; L23-F111 HydrophobicContact CD1-CE2 4.4Å; L23-F111 HydrophobicContact CD1-CZ 4.25Å
24	F	31.7	Very low	27.8	Very low	41 Å²	41	74.9 Å²	74.9	18%	0.18	45%	0.446	C	S	.	.	S	Bend	trans	-124.4	9	-176.9	-64.5	-75.4	0	0	0	113.7	P22 C89 L94 A95 I103 T104	P22-F24 VanDerWaalsContact C-N 3.35Å; F24-C89 HydrophobicContact CE1-CB 4.18Å; F24-C89 WeakPolarHBondContact CE1-SG 3.42Å; F24-C89 HydrophobicContact CE2-CB 4.17Å; F24-C89 HydrophobicContact CZ-CB 3.74Å; F24-C89 WeakPolarHBondContact CZ-SG 3.46Å; F24-L94 HydrophobicContact CB-CB 3.99Å; F24-L94 HydrophobicContact CB-CD1 4.24Å; F24-L94 HydrophobicContact CD1-CB 4.24Å; F24-L94 HydrophobicContact CD2-CB 4.46Å; F24-L94 HydrophobicContact CD2-CD1 3.66Å; F24-L94 HydrophobicContact CE2-CD1 4.24Å; F24-L94 HydrophobicContact CG-CB 3.97Å; F24-L94 HydrophobicContact CG-CD1 3.99Å; F24-A95 HydrophobicContact CD1-CB 4.4Å; F24-I103 HydrophobicContact CE1-CG2 3.49Å; F24-I103 VanDerWaalsContact CE1-CG2 3.49Å; F24-I103 HydrophobicContact CZ-CG2 3.81Å; F24-T104 HydrophobicContact CZ-CG2 4.29Å
25	G	23.4	Very low	27.6	Very low	49 Å²	49	76.3 Å²	76.3	51%	0.505	45%	0.447	S	S	.	.			trans	-79.6	129.8	172.2	0	0	0	0	0	110.5
26	S	25	Very low	27.5	Very low	67 Å²	67	76.5 Å²	76.5	47%	0.469	45%	0.447	S	S	.	.			trans	-44.7	149.5	148.6	38.2	0	0	0	0	109.5	H28	S26-H28 PolarHBondContact O-N 3.23Å
27	C	24.9	Very low	27.2	Very low	84 Å²	84	85.1 Å²	85.1	57%	0.568	48%	0.475	S	S	*	.	S	Bend	trans	-58.6	71.8	171.7	-65.7	0	0	0	0	110.9
28	H	25.4	Very low	27.3	Very low	88 Å²	88	85 Å²	85	41%	0.407	48%	0.476	S	S	.	.	S	Bend	trans	-137.7	128.7	171.2	-82.8	45.4	0	0	0	104.2	S26 A30 C601	S26-H28 PolarHBondContact O-N 3.23Å; H28-A30 PolarHBondContact O-N 2.85Å; H28-C601 PolarHBondContact CD2-O 3.4Å; H28-C601 PolarHBondContact CD2-OXT 2.88Å
29	P	22.5	Very low	27.2	Very low	101 Å²	101	83.1 Å²	83.1	66%	0.656	47%	0.47	S	S	*	.			trans	-63.7	104.3	-172	24.7	-31.8	0	0	0	109.2	Q31	P29-Q31 PolarHBondContact O-N 3.18Å
30	A	22.1	Very low	27.1	Very low	81 Å²	81	84.1 Å²	84.1	67%	0.669	48%	0.475	S	S	*	.			trans	-61.3	113.9	166.9	0	0	0	0	0	107.5	H28 Y32	H28-A30 PolarHBondContact O-N 2.85Å; A30-Y32 PolarHBondContact O-N 3.2Å
31	Q	24.1	Very low	27.2	Very low	135 Å²	135	86.7 Å²	86.7	63%	0.631	49%	0.491	S	S	*	.			trans	-53.9	100.7	177.1	-74.5	175.6	-32.5	0	0	110.2	P29 A596	P29-Q31 PolarHBondContact O-N 3.18Å; Q31-A596 PolarHBondContact NE2-O 3.26Å
32	Y	24.3	Very low	27.2	Very low	125 Å²	125	89 Å²	89	49%	0.49	50%	0.495	S	S	.	.			trans	-98.3	99.3	167	-137.4	-97.8	0	0	0	107.8	A30 A34 T36	A30-Y32 PolarHBondContact O-N 3.2Å; Y32-A34 PolarHBondContact O-N 3.41Å; Y32-T36 HydrophobicContact CE1-CG2 3.81Å
33	Q	23.5	Very low	27.1	Very low	108 Å²	108	91.3 Å²	91.3	51%	0.505	50%	0.498	S	S	.	.			trans	-52.7	130.3	170.8	-88.8	179.6	-44.9	0	0	109.8	Q35 T36	Q33-Q35 HydrophobicContact CB-CB 4.16Å; Q33-Q35 PolarHBondContact O-N 3.34Å; Q33-T36 PolarHBondContact O-OG1 2.86Å
34	A	25.9	Very low	27.4	Very low	82 Å²	82	95.8 Å²	95.8	68%	0.678	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	25.7	164.3	0	0	0	0	0	113.7	Y32	Y32-A34 PolarHBondContact O-N 3.41Å
35	Q	25.8	Very low	27.4	Very low	104 Å²	104	100.6 Å²	100.6	49%	0.486	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	13.3	177.7	-118.6	175.1	-8.9	0	0	112.6	Q33 R37 T38 V39	Q33-Q35 HydrophobicContact CB-CB 4.16Å; Q33-Q35 PolarHBondContact O-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.7Å; Q35-T38 PolarHBondContact O-N 3.08Å; Q35-T38 PolarHBondContact O-OG1 2.78Å; Q35-T38 VanDerWaalsContact O-OG1 3.09Å; Q35-V39 PolarHBondContact O-N 2.79Å
36	T	28.3	Very low	27.7	Very low	58 Å²	58	103.1 Å²	103.1	36%	0.356	55%	0.545	S	S	.	.	H	α-helix	trans	-72	-12.8	172.6	12.5	0	0	0	0	113.5	Y32 Q33 T38	Y32-T36 HydrophobicContact CE1-CG2 3.81Å; Q33-T36 PolarHBondContact O-OG1 2.86Å; T36-T38 PolarHBondContact O-N 3.28Å
37	R	27.9	Very low	28.2	Very low	226 Å²	226	107.2 Å²	107.2	85%	0.853	56%	0.557	S	S	*	*	H	α-helix	trans	-69.1	-21.9	169.4	-148.3	-179.5	-168.5	-171.8	4	112.5	Q35	Q35-R37 PolarHBondContact O-N 2.7Å
38	T	31.4	Very low	28.7	Very low	65 Å²	65	106.6 Å²	106.6	40%	0.399	56%	0.564	S	S	.	*	H	α-helix	trans	-104.6	-48.1	176.9	35.1	0	0	0	0	111.9	Q35 T36 L40 V41 E42	Q35-T38 PolarHBondContact O-N 3.08Å; Q35-T38 PolarHBondContact O-OG1 2.78Å; Q35-T38 VanDerWaalsContact O-OG1 3.09Å; T36-T38 PolarHBondContact O-N 3.28Å; T38-L40 PolarHBondContact O-N 3.31Å; T38-V41 PolarHBondContact O-N 3.44Å; T38-E42 WeakPolarHBondContact O-CA 3.32Å; T38-E42 WeakPolarHBondContact O-CB 3.44Å; T38-E42 PolarHBondContact O-N 2.97Å
39	V	29.3	Very low	29.2	Very low	67 Å²	67	109.2 Å²	109.2	41%	0.406	58%	0.58	S	S	.	*	H	α-helix	trans	-70.7	-38	-169.3	-177.2	0	0	0	0	114.4	Q35 Q43	Q35-V39 PolarHBondContact O-N 2.79Å; V39-Q43 HydrophobicContact CG1-CG 4.43Å; V39-Q43 WeakPolarHBondContact O-CB 3.35Å; V39-Q43 PolarHBondContact O-N 3.47Å
40	L	31.3	Very low	29.7	Very low	79 Å²	79	108.1 Å²	108.1	41%	0.414	59%	0.587	S	S	.	*	H	α-helix	trans	-71.4	-35.9	178.8	-153.3	114.9	0	0	0	111.2	T38 F44	T38-L40 PolarHBondContact O-N 3.31Å; L40-F44 VanDerWaalsContact O-CD2 3.32Å; L40-F44 WeakPolarHBondContact O-CD2 3.28Å
41	V	34	Very low	30.6	Very low	75 Å²	75	111.4 Å²	111.4	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-73.5	-40.1	177.3	179.1	0	0	0	0	110.8	T38 F44 E45	T38-V41 PolarHBondContact O-N 3.44Å; V41-F44 PolarHBondContact O-N 3.31Å; V41-E45 HydrophobicContact CG1-CG 4.42Å; V41-E45 WeakPolarHBondContact O-CB 3.4Å; V41-E45 WeakPolarHBondContact O-CG 3.41Å; V41-E45 PolarHBondContact O-N 3.5Å
42	E	28.2	Very low	31.2	Very low	112 Å²	112	110.5 Å²	110.5	52%	0.523	59%	0.593	S	S	.	*	H	α-helix	trans	-80	-27.8	-173.4	-156.9	168.4	-140	0	0	112.2	T38 T46	T38-E42 WeakPolarHBondContact O-CA 3.32Å; T38-E42 WeakPolarHBondContact O-CB 3.44Å; T38-E42 PolarHBondContact O-N 2.97Å; E42-T46 WeakPolarHBondContact O-CG2 3.41Å; E42-T46 PolarHBondContact O-N 3.4Å; E42-T46 PolarHBondContact O-OG1 3.04Å
43	Q	29.4	Very low	32.2	Very low	139 Å²	139	112.4 Å²	112.4	65%	0.65	60%	0.599	S	S	*	*	H	α-helix	trans	-72.8	-27.4	168.9	-82	-168.9	-30.6	0	0	113.5	V39 T46	V39-Q43 HydrophobicContact CG1-CG 4.43Å; V39-Q43 WeakPolarHBondContact O-CB 3.35Å; V39-Q43 PolarHBondContact O-N 3.47Å; Q43-T46 PolarHBondContact O-OG1 3.37Å
44	F	36.9	Very low	33.7	Very low	126 Å²	126	118.1 Å²	118.1	55%	0.553	62%	0.616	S	S	*	*	H	α-helix	trans	-86.7	-26.8	174.2	-84.5	-74.6	0	0	0	113.1	L40 V41	L40-F44 VanDerWaalsContact O-CD2 3.32Å; L40-F44 WeakPolarHBondContact O-CD2 3.28Å; V41-F44 PolarHBondContact O-N 3.31Å
45	E	32.1	Very low	35.3	Very low	142 Å²	142	121.3 Å²	121.3	66%	0.664	62%	0.622	S	S	*	*	H	α-helix	trans	-69.8	-28.7	174.9	-81	-176.1	166.5	0	0	113.5	V41 H47	V41-E45 HydrophobicContact CG1-CG 4.42Å; V41-E45 WeakPolarHBondContact O-CB 3.4Å; V41-E45 WeakPolarHBondContact O-CG 3.41Å; V41-E45 PolarHBondContact O-N 3.5Å; E45-H47 VanDerWaalsContact C-N 3.27Å; E45-H47 PolarHBondContact O-N 3.02Å
46	T	29.3	Very low	37.4	Very low	101 Å²	101	120.3 Å²	120.3	62%	0.62	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-12.6	-177.9	47.7	0	0	0	0	114.6	E42 Q43	E42-T46 WeakPolarHBondContact O-CG2 3.41Å; E42-T46 PolarHBondContact O-N 3.4Å; E42-T46 PolarHBondContact O-OG1 3.04Å; Q43-T46 PolarHBondContact O-OG1 3.37Å
47	H	35.3	Very low	40.1	Very low	154 Å²	154	119.9 Å²	119.9	71%	0.713	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	54.3	174.3	-69.9	73.1	0	0	0	111	E45 L49	E45-H47 VanDerWaalsContact C-N 3.27Å; E45-H47 PolarHBondContact O-N 3.02Å; H47-L49 PolarHBondContact O-N 2.72Å
48	G	35.3	Very low	43	Very low	70 Å²	70	110.5 Å²	110.5	72%	0.722	59%	0.585	S	S	*	*			trans	-60.8	80.7	165.8	0	0	0	0	0	111.8	G50	G48-G50 PolarHBondContact O-N 2.89Å
49	L	36.1	Very low	45.9	Very low	143 Å²	143	111.1 Å²	111.1	75%	0.749	59%	0.591	S	S	*	*			trans	-67.2	88.3	161.1	-75.4	169.7	0	0	0	107.3	H47 F51	H47-L49 PolarHBondContact O-N 2.72Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-F51 HydrophobicContact CB-CD2 4.09Å; L49-F51 HydrophobicContact CB-CE2 4Å; L49-F51 PolarHBondContact O-N 3.08Å
50	G	32.6	Very low	49	Very low	78 Å²	78	112.2 Å²	112.2	80%	0.804	59%	0.593	S	S	*	*			trans	-62.7	90.4	174.6	0	0	0	0	0	111	G48	G48-G50 PolarHBondContact O-N 2.89Å
51	F	41.2	Very low	51.9	Low	150 Å²	150	108.9 Å²	108.9	66%	0.658	58%	0.577	S	S	*	*			trans	-88.6	124.8	168.2	-83.3	-82.8	0	0	0	110	L49 W53	L49-F51 VanDerWaalsContact C-N 3.34Å; L49-F51 HydrophobicContact CB-CD2 4.09Å; L49-F51 HydrophobicContact CB-CE2 4Å; L49-F51 PolarHBondContact O-N 3.08Å; F51-W53 PolarHBondContact O-N 3.39Å
52	P	38.3	Very low	54.7	Low	116 Å²	116	109.1 Å²	109.1	75%	0.753	57%	0.571	S	S	*	*	S	Bend	trans	-84.9	51.1	-170.2	35.6	-36.3	0	0	0	112.7
53	W	45	Very low	57.9	Low	165 Å²	165	106.2 Å²	106.2	63%	0.625	57%	0.567	S	S	*	*			trans	-131.7	52.4	178.7	-71.3	75.2	0	0	0	111.8	F51 N55 L56 T57	F51-W53 PolarHBondContact O-N 3.39Å; W53-N55 PolarHBondContact O-N 2.65Å; W53-L56 HydrophobicContact CE3-CB 4.17Å; W53-L56 HydrophobicContact CE3-CD1 3.48Å; W53-L56 VanDerWaalsContact CE3-CD1 3.48Å; W53-L56 HydrophobicContact CE3-CG 4.35Å; W53-L56 HydrophobicContact CZ3-CD1 3.64Å; W53-L56 PolarHBondContact O-N 3.39Å; W53-T57 WeakPolarHBondContact O-CG2 3.33Å; W53-T57 PolarHBondContact O-N 2.75Å; W53-T57 VanDerWaalsContact O-N 3.16Å; W53-T57 PolarHBondContact O-OG1 3.42Å
54	R	54.7	Low	61	Low	229 Å²	229	104.3 Å²	104.3	86%	0.864	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-22	-176.2	-77.5	-173.7	174.4	-162.3	-2.2	115.4	T57	R54-T57 PolarHBondContact O-OG1 3.02Å
55	N	59.5	Low	63.7	Low	149 Å²	149	99.4 Å²	99.4	80%	0.797	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-17.1	178.7	-72.1	-8.3	0	0	0	114.5	W53	W53-N55 PolarHBondContact O-N 2.65Å
56	L	68.4	Low	66.6	Low	82 Å²	82	95.5 Å²	95.5	43%	0.429	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-17.8	-179.7	-94	120.2	0	0	0	113.6	W53 C58 P59 I60	W53-L56 HydrophobicContact CE3-CB 4.17Å; W53-L56 HydrophobicContact CE3-CD1 3.48Å; W53-L56 VanDerWaalsContact CE3-CD1 3.48Å; W53-L56 HydrophobicContact CE3-CG 4.35Å; W53-L56 HydrophobicContact CZ3-CD1 3.64Å; W53-L56 PolarHBondContact O-N 3.39Å; L56-C58 VanDerWaalsContact C-N 3.33Å; L56-C58 PolarHBondContact O-N 3.44Å; L56-P59 WeakPolarHBondContact O-CD 3.24Å; L56-I60 HydrophobicContact CB-CD1 4.04Å; L56-I60 HydrophobicContact CD2-CD1 4.16Å; L56-I60 VanDerWaalsContact O-CB 3.29Å; L56-I60 WeakPolarHBondContact O-CB 3.26Å; L56-I60 VanDerWaalsContact O-CD1 3.31Å; L56-I60 WeakPolarHBondContact O-CD1 3.26Å; L56-I60 WeakPolarHBondContact O-CG1 3.46Å; L56-I60 PolarHBondContact O-N 3.06Å; L56-I60 VanDerWaalsContact O-N 3.1Å
57	T	85.8	Confident	69.6	Low	49 Å²	49	96.1 Å²	96.1	30%	0.301	52%	0.523	S	S	.	.	H	α-helix	trans	-59.9	-40.3	179.3	45	0	0	0	0	112.9	W53 R54 C61	W53-T57 WeakPolarHBondContact O-CG2 3.33Å; W53-T57 PolarHBondContact O-N 2.75Å; W53-T57 VanDerWaalsContact O-N 3.16Å; W53-T57 PolarHBondContact O-OG1 3.42Å; R54-T57 PolarHBondContact O-OG1 3.02Å; T57-C61 VanDerWaalsContact O-CB 3.3Å; T57-C61 WeakPolarHBondContact O-CB 3.44Å; T57-C61 PolarHBondContact O-N 3.19Å
58	C	89.9	Confident	72.2	Confident	29 Å²	29	91.1 Å²	91.1	20%	0.196	50%	0.501	C	S	.	.	H	α-helix	trans	-71.2	-52.7	-178.7	179.3	0	0	0	0	113.6	L56 I60 C61 K62 V130 C134	L56-C58 VanDerWaalsContact C-N 3.33Å; L56-C58 PolarHBondContact O-N 3.44Å; C58-I60 VanDerWaalsContact C-N 3.27Å; C58-I60 PolarHBondContact O-N 2.87Å; C58-C61 PolarHBondContact O-N 2.99Å; C58-K62 PolarHBondContact O-N 3.44Å; C58-V130 HydrophobicContact CB-CG1 4.25Å; C58-C134 WeakPolarHBondContact CA-SG 3.45Å; C58-C134 HydrophobicContact CB-CB 3.73Å; C58-C134 WeakPolarHBondContact CB-SG 3.29Å; C58-C134 WeakPolarHBondContact SG-CA 3.39Å; C58-C134 WeakPolarHBondContact SG-CB 3.12Å; C58-C134 CovalentContact SG-SG 2.03Å; C58-C134 PolarHBondContact SG-SG 2.87Å
59	P	92.3	Very high	74.7	Confident	79 Å²	79	90.5 Å²	90.5	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-57.7	-38.5	174.7	-25.9	34.6	0	0	0	113.3	L56 A63	L56-P59 WeakPolarHBondContact O-CD 3.24Å; P59-A63 WeakPolarHBondContact O-CB 3.38Å; P59-A63 PolarHBondContact O-N 3.07Å
60	I	93.2	Very high	77.2	Confident	89 Å²	89	88.8 Å²	88.8	46%	0.456	47%	0.471	S	S	.	.	H	α-helix	trans	-65.3	-46.1	177	-69.2	169.5	0	0	0	110.8	L56 C58 K62 A63 I64	L56-I60 HydrophobicContact CB-CD1 4.04Å; L56-I60 HydrophobicContact CD2-CD1 4.16Å; L56-I60 VanDerWaalsContact O-CB 3.29Å; L56-I60 WeakPolarHBondContact O-CB 3.26Å; L56-I60 VanDerWaalsContact O-CD1 3.31Å; L56-I60 WeakPolarHBondContact O-CD1 3.26Å; L56-I60 WeakPolarHBondContact O-CG1 3.46Å; L56-I60 PolarHBondContact O-N 3.06Å; L56-I60 VanDerWaalsContact O-N 3.1Å; C58-I60 VanDerWaalsContact C-N 3.27Å; C58-I60 PolarHBondContact O-N 2.87Å; I60-K62 PolarHBondContact O-N 2.79Å; I60-A63 PolarHBondContact O-N 3.03Å; I60-I64 HydrophobicContact CG2-CD1 3.8Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 WeakPolarHBondContact O-CG1 3.26Å; I60-I64 PolarHBondContact O-N 3.1Å
61	C	92.4	Very high	79.9	Confident	10 Å²	10	86.9 Å²	86.9	7%	0.068	45%	0.448	C	S	.	.	H	α-helix	trans	-57.3	-50.6	176.9	-179.4	0	0	0	0	111	T57 C58 A63 I64 F65 C126 V130	T57-C61 VanDerWaalsContact O-CB 3.3Å; T57-C61 WeakPolarHBondContact O-CB 3.44Å; T57-C61 PolarHBondContact O-N 3.19Å; C58-C61 PolarHBondContact O-N 2.99Å; C61-A63 VanDerWaalsContact C-N 3.31Å; C61-A63 PolarHBondContact O-N 2.81Å; C61-I64 PolarHBondContact O-N 2.89Å; C61-I64 VanDerWaalsContact O-N 3.13Å; C61-F65 WeakPolarHBondContact O-CD2 3.04Å; C61-F65 PolarHBondContact O-N 3.43Å; C61-C126 HydrophobicContact CB-CB 3.95Å; C61-C126 WeakPolarHBondContact CB-SG 3.11Å; C61-C126 WeakPolarHBondContact SG-CA 3.44Å; C61-C126 WeakPolarHBondContact SG-CB 3.29Å; C61-C126 CovalentContact SG-SG 2.04Å; C61-C126 PolarHBondContact SG-SG 2.92Å; C61-V130 HydrophobicContact CB-CG2 3.68Å
62	K	93.8	Very high	82.1	Confident	79 Å²	79	80.3 Å²	80.3	34%	0.343	42%	0.42	S	S	.	.	H	α-helix	trans	-59	-44.2	179	-72.1	-170.7	176.2	-175.6	0	111.6	C58 I60 I64 F65 T66 P122 C126 C134	C58-K62 PolarHBondContact O-N 3.44Å; I60-K62 PolarHBondContact O-N 2.79Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.19Å; K62-F65 PolarHBondContact O-N 2.91Å; K62-T66 WeakPolarHBondContact O-CB 3.29Å; K62-T66 PolarHBondContact O-N 2.98Å; K62-T66 PolarHBondContact O-OG1 2.92Å; K62-P122 HydrophobicContact CG-CB 4.48Å; K62-C126 HydrophobicContact CG-CB 4.5Å; K62-C126 PolarHBondContact N-SG 3.44Å; K62-C126 VanDerWaalsContact N-SG 3.38Å; K62-C134 WeakPolarHBondContact CE-O 3.5Å; K62-C134 PolarHBondContact NZ-O 2.63Å; K62-C134 VanDerWaalsContact NZ-O 3.1Å
63	A	94.4	Very high	84.3	Confident	51 Å²	51	80 Å²	80	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-43.6	176.8	0	0	0	0	0	112.3	P59 I60 C61 T66 I67	P59-A63 WeakPolarHBondContact O-CB 3.38Å; P59-A63 PolarHBondContact O-N 3.07Å; I60-A63 PolarHBondContact O-N 3.03Å; C61-A63 VanDerWaalsContact C-N 3.31Å; C61-A63 PolarHBondContact O-N 2.81Å; A63-T66 PolarHBondContact O-N 3.45Å; A63-I67 WeakPolarHBondContact O-CB 3.38Å; A63-I67 WeakPolarHBondContact O-CD1 3.45Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 3.32Å
64	I	94.1	Very high	86.4	Confident	99 Å²	99	74.4 Å²	74.4	51%	0.508	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-50.2	178	-70	166.8	0	0	0	110.9	I60 C61 K62 I67 L68	I60-I64 HydrophobicContact CG2-CD1 3.8Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 WeakPolarHBondContact O-CG1 3.26Å; I60-I64 PolarHBondContact O-N 3.1Å; C61-I64 PolarHBondContact O-N 2.89Å; C61-I64 VanDerWaalsContact O-N 3.13Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.19Å; I64-I67 PolarHBondContact O-N 3.47Å; I64-L68 PolarHBondContact O-N 2.88Å
65	F	93.3	Very high	88	Confident	24 Å²	24	66.9 Å²	66.9	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-71.1	-30.4	-178.6	-79.6	-83.6	0	0	0	112.7	C61 K62 L68 D69 L120 P122 A125 L129	C61-F65 WeakPolarHBondContact O-CD2 3.04Å; C61-F65 PolarHBondContact O-N 3.43Å; K62-F65 PolarHBondContact O-N 2.91Å; F65-L68 HydrophobicContact CD1-CD2 4.14Å; F65-L68 HydrophobicContact CE1-CD2 4.28Å; F65-L68 PolarHBondContact O-N 3.49Å; F65-D69 WeakPolarHBondContact O-CB 3.03Å; F65-D69 PolarHBondContact O-N 2.54Å; F65-L120 WeakPolarHBondContact CD1-O 3.34Å; F65-L120 HydrophobicContact CE1-CD2 4.45Å; F65-P122 HydrophobicContact CB-CB 4.05Å; F65-P122 HydrophobicContact CB-CG 3.99Å; F65-A125 HydrophobicContact CD1-CB 3.55Å; F65-A125 HydrophobicContact CD2-CB 3.89Å; F65-A125 HydrophobicContact CE1-CB 3.39Å; F65-A125 HydrophobicContact CE2-CB 3.77Å; F65-A125 HydrophobicContact CG-CB 3.8Å; F65-A125 HydrophobicContact CZ-CB 3.51Å; F65-L129 HydrophobicContact CE2-CD1 3.51Å; F65-L129 HydrophobicContact CZ-CD1 3.66Å
66	T	93.2	Very high	89.4	Confident	60 Å²	60	62.1 Å²	62.1	37%	0.368	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-39.9	170	-61.4	0	0	0	0	111.7	K62 A63 L68 D69 I70	K62-T66 WeakPolarHBondContact O-CB 3.29Å; K62-T66 PolarHBondContact O-N 2.98Å; K62-T66 PolarHBondContact O-OG1 2.92Å; A63-T66 PolarHBondContact O-N 3.45Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-D69 PolarHBondContact O-N 3.03Å; T66-I70 HydrophobicContact CG2-CD1 4.08Å; T66-I70 VanDerWaalsContact O-CG1 3.3Å; T66-I70 WeakPolarHBondContact O-CG1 3.29Å; T66-I70 PolarHBondContact O-N 3.29Å
67	I	92.4	Very high	90.4	Very high	113 Å²	113	60.4 Å²	60.4	58%	0.579	35%	0.349	S	S	*	.	H	α-helix	trans	-64.1	-42.6	174.4	-70.2	162.9	0	0	0	110.4	A63 I64 I70 A71	A63-I67 WeakPolarHBondContact O-CB 3.38Å; A63-I67 WeakPolarHBondContact O-CD1 3.45Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 3.32Å; I64-I67 PolarHBondContact O-N 3.47Å; I67-I70 PolarHBondContact O-N 3.12Å; I67-A71 WeakPolarHBondContact O-CB 3.35Å; I67-A71 PolarHBondContact O-N 3.21Å
68	L	90.4	Very high	90.5	Very high	49 Å²	49	58.9 Å²	58.9	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-45.5	176.2	-179.8	62.4	0	0	0	111.4	I64 F65 T66 I70 A71 L72 L120	I64-L68 PolarHBondContact O-N 2.88Å; F65-L68 HydrophobicContact CD1-CD2 4.14Å; F65-L68 HydrophobicContact CE1-CD2 4.28Å; F65-L68 PolarHBondContact O-N 3.49Å; T66-L68 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 2.93Å; L68-A71 PolarHBondContact O-N 3.14Å; L68-L72 HydrophobicContact CD1-CD1 4.04Å; L68-L72 HydrophobicContact CD1-CG 4.19Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 WeakPolarHBondContact O-CB 3.45Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 2.97Å; L68-L120 HydrophobicContact CD2-CD2 4.37Å
69	D	88.1	Confident	90.5	Very high	57 Å²	57	62.2 Å²	62.2	31%	0.305	35%	0.351	S	S	.	.	H	α-helix	trans	-57.5	-49.6	176.9	-176.1	38.3	0	0	0	111.3	F65 T66 A71 L72 L73 Q116	F65-D69 WeakPolarHBondContact O-CB 3.03Å; F65-D69 PolarHBondContact O-N 2.54Å; T66-D69 PolarHBondContact O-N 3.03Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 3.04Å; D69-L72 PolarHBondContact O-N 3.3Å; D69-L73 PolarHBondContact O-N 2.97Å; D69-Q116 PolarHBondContact O-NE2 2.83Å
70	I	88.7	Confident	90.5	Very high	107 Å²	107	66.4 Å²	66.4	55%	0.549	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-41.8	175.8	-66.3	166.3	0	0	0	111.5	T66 I67 L68 L72 L73	T66-I70 HydrophobicContact CG2-CD1 4.08Å; T66-I70 VanDerWaalsContact O-CG1 3.3Å; T66-I70 WeakPolarHBondContact O-CG1 3.29Å; T66-I70 PolarHBondContact O-N 3.29Å; I67-I70 PolarHBondContact O-N 3.12Å; L68-I70 PolarHBondContact O-N 2.93Å; I70-L72 VanDerWaalsContact C-N 3.31Å; I70-L72 PolarHBondContact O-N 2.8Å; I70-L73 WeakPolarHBondContact O-CB 3.45Å; I70-L73 PolarHBondContact O-N 3.47Å
71	A	88.5	Confident	90.3	Very high	38 Å²	38	64.9 Å²	64.9	31%	0.314	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-39.9	-179.9	0	0	0	0	0	111.6	I67 L68 D69 L73 S74 N77	I67-A71 WeakPolarHBondContact O-CB 3.35Å; I67-A71 PolarHBondContact O-N 3.21Å; L68-A71 PolarHBondContact O-N 3.14Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 3.04Å; A71-L73 PolarHBondContact O-N 3.39Å; A71-S74 WeakPolarHBondContact O-CB 3.39Å; A71-S74 PolarHBondContact O-N 3.32Å; A71-N77 WeakPolarHBondContact O-CB 3.35Å; A71-N77 PolarHBondContact O-ND2 3.31Å
72	L	88.5	Confident	90.2	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-75.6	-6.4	179	-71.3	173.8	0	0	0	113.3	L68 D69 I70 S74 E78 V81 I112 Q116 L120	L68-L72 HydrophobicContact CD1-CD1 4.04Å; L68-L72 HydrophobicContact CD1-CG 4.19Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 WeakPolarHBondContact O-CB 3.45Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 2.97Å; D69-L72 PolarHBondContact O-N 3.3Å; I70-L72 VanDerWaalsContact C-N 3.31Å; I70-L72 PolarHBondContact O-N 2.8Å; L72-S74 PolarHBondContact O-N 2.03Å; L72-E78 WeakPolarHBondContact O-CG 3.1Å; L72-V81 HydrophobicContact CD2-CG2 4.03Å; L72-I112 HydrophobicContact CD1-CG2 4.47Å; L72-I112 HydrophobicContact CD2-CG2 4.26Å; L72-Q116 HydrophobicContact CB-CG 4.03Å; L72-Q116 HydrophobicContact CD1-CG 3.81Å; L72-L120 HydrophobicContact CD1-CD1 4.02Å
73	L	84.2	Confident	90.1	Very high	110 Å²	110	66 Å²	66	58%	0.576	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.6	166.4	-64.5	175.7	0	0	0	113.1	D69 I70 A71	D69-L73 PolarHBondContact O-N 2.97Å; I70-L73 WeakPolarHBondContact O-CB 3.45Å; I70-L73 PolarHBondContact O-N 3.47Å; A71-L73 PolarHBondContact O-N 3.39Å
74	S	89.6	Confident	90	Very high	46 Å²	46	66.6 Å²	66.6	32%	0.322	36%	0.356	S	S	.	.	S	Bend	trans	-85.5	122.4	176.8	-178	0	0	0	0	110.8	A71 L72 S76 N77 E78	A71-S74 WeakPolarHBondContact O-CB 3.39Å; A71-S74 PolarHBondContact O-N 3.32Å; L72-S74 PolarHBondContact O-N 2.03Å; S74-S76 PolarHBondContact O-N 2.79Å; S74-S76 VanDerWaalsContact O-N 3.16Å; S74-S76 PolarHBondContact OG-OG 3.31Å; S74-N77 WeakPolarHBondContact O-CB 3.3Å; S74-N77 PolarHBondContact O-N 3.47Å; S74-E78 PolarHBondContact O-N 3.4Å; S74-E78 VanDerWaalsContact O-N 3.1Å
75	S	86.8	Confident	89.8	Confident	72 Å²	72	62.9 Å²	62.9	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-53.3	-38	174.7	62.2	0	0	0	0	112.5	N77 E78 E79	S75-N77 PolarHBondContact O-N 3.09Å; S75-E78 PolarHBondContact O-N 3.4Å; S75-E79 WeakPolarHBondContact O-CB 3.15Å; S75-E79 WeakPolarHBondContact O-CG 3.29Å; S75-E79 PolarHBondContact O-N 3.14Å
76	S	89.4	Confident	89.8	Confident	48 Å²	48	61.9 Å²	61.9	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-28.2	177.6	71.6	0	0	0	0	113.8	S74 R80	S74-S76 PolarHBondContact O-N 2.79Å; S74-S76 VanDerWaalsContact O-N 3.16Å; S74-S76 PolarHBondContact OG-OG 3.31Å; S76-R80 VanDerWaalsContact O-CG 3.29Å; S76-R80 WeakPolarHBondContact O-CG 3.49Å; S76-R80 PolarHBondContact O-N 3.32Å
77	N	88.9	Confident	89.9	Confident	46 Å²	46	61.3 Å²	61.3	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-83.3	-37.6	175.7	-72.5	-31.7	0	0	0	111.1	A71 S74 S75 E79 R80 V81	A71-N77 WeakPolarHBondContact O-CB 3.35Å; A71-N77 PolarHBondContact O-ND2 3.31Å; S74-N77 WeakPolarHBondContact O-CB 3.3Å; S74-N77 PolarHBondContact O-N 3.47Å; S75-N77 PolarHBondContact O-N 3.09Å; N77-E79 VanDerWaalsContact C-N 3.32Å; N77-E79 PolarHBondContact O-N 2.75Å; N77-R80 PolarHBondContact O-N 3.12Å; N77-V81 WeakPolarHBondContact O-CG2 3.32Å; N77-V81 PolarHBondContact O-N 3.36Å
78	E	88.6	Confident	89.9	Confident	18 Å²	18	57 Å²	57	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-45	171.1	-65.7	-178.9	151.4	0	0	110.9	L72 S74 S75 R80 V81 A82 R108 I112	L72-E78 WeakPolarHBondContact O-CG 3.1Å; S74-E78 PolarHBondContact O-N 3.4Å; S74-E78 VanDerWaalsContact O-N 3.1Å; S75-E78 PolarHBondContact O-N 3.4Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R80 PolarHBondContact O-N 2.59Å; E78-V81 PolarHBondContact O-N 3.02Å; E78-V81 VanDerWaalsContact O-N 3.15Å; E78-A82 PolarHBondContact O-N 2.98Å; E78-R108 HydrophobicContact CB-CG 4.13Å; E78-I112 HydrophobicContact CB-CD1 3.88Å; E78-I112 HydrophobicContact CG-CD1 4.13Å; E78-I112 HydrophobicContact CG-CG2 4.23Å
79	E	90.5	Very high	90	Very high	98 Å²	98	54.9 Å²	54.9	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-56.6	-43.2	174.4	-78.5	169	-160.7	0	0	112.2	S75 N77 A82 H83 R108	S75-E79 WeakPolarHBondContact O-CB 3.15Å; S75-E79 WeakPolarHBondContact O-CG 3.29Å; S75-E79 PolarHBondContact O-N 3.14Å; N77-E79 VanDerWaalsContact C-N 3.32Å; N77-E79 PolarHBondContact O-N 2.75Å; E79-A82 PolarHBondContact O-N 3.36Å; E79-H83 WeakPolarHBondContact O-CB 3.5Å; E79-H83 PolarHBondContact O-N 2.9Å; E79-R108 VanDerWaalsContact CG-NH1 3.35Å
80	R	90.8	Very high	90.2	Very high	168 Å²	168	53.6 Å²	53.6	63%	0.634	29%	0.291	S	S	*	.	H	α-helix	trans	-64.9	-40.3	176.7	-73.6	169.3	-177.5	-176.9	0.5	112	S76 N77 E78 H83 V84	S76-R80 VanDerWaalsContact O-CG 3.29Å; S76-R80 WeakPolarHBondContact O-CG 3.49Å; S76-R80 PolarHBondContact O-N 3.32Å; N77-R80 PolarHBondContact O-N 3.12Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R80 PolarHBondContact O-N 2.59Å; R80-H83 PolarHBondContact O-N 3.43Å; R80-V84 WeakPolarHBondContact O-CG2 2.86Å; R80-V84 PolarHBondContact O-N 2.83Å
81	V	89.9	Confident	90.5	Very high	57 Å²	57	55.1 Å²	55.1	35%	0.345	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-50.2	176.2	172.5	0	0	0	0	109.9	L72 N77 E78 H83 V84 V85 I112	L72-V81 HydrophobicContact CD2-CG2 4.03Å; N77-V81 WeakPolarHBondContact O-CG2 3.32Å; N77-V81 PolarHBondContact O-N 3.36Å; E78-V81 PolarHBondContact O-N 3.02Å; E78-V81 VanDerWaalsContact O-N 3.15Å; V81-H83 VanDerWaalsContact C-N 3.31Å; V81-H83 PolarHBondContact O-N 2.86Å; V81-V84 PolarHBondContact O-N 3.38Å; V81-V85 HydrophobicContact CG1-CG2 4.47Å; V81-V85 WeakPolarHBondContact O-CG2 3.27Å; V81-V85 PolarHBondContact O-N 3.42Å; V81-I112 HydrophobicContact CB-CD1 4.04Å; V81-I112 HydrophobicContact CG1-CD1 3.96Å; V81-I112 HydrophobicContact CG1-CG1 4.39Å
82	A	90.1	Very high	90.7	Very high	7 Å²	7	57.8 Å²	57.8	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-43.2	177.3	0	0	0	0	0	112	E78 E79 V84 V85 S86 R108	E78-A82 PolarHBondContact O-N 2.98Å; E79-A82 PolarHBondContact O-N 3.36Å; A82-V84 PolarHBondContact O-N 2.75Å; A82-V85 PolarHBondContact O-N 3.1Å; A82-S86 WeakPolarHBondContact O-CB 3.4Å; A82-S86 PolarHBondContact O-N 3.09Å; A82-R108 HydrophobicContact CB-CB 4.17Å; A82-R108 HydrophobicContact CB-CG 3.84Å
83	H	91.8	Very high	90.7	Very high	106 Å²	106	65.3 Å²	65.3	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-48	176	-179.2	-76.2	0	0	0	112	E79 R80 V81 V85 S86 E87	E79-H83 WeakPolarHBondContact O-CB 3.5Å; E79-H83 PolarHBondContact O-N 2.9Å; R80-H83 PolarHBondContact O-N 3.43Å; V81-H83 VanDerWaalsContact C-N 3.31Å; V81-H83 PolarHBondContact O-N 2.86Å; H83-V85 VanDerWaalsContact C-N 3.33Å; H83-V85 PolarHBondContact O-N 3.29Å; H83-S86 WeakPolarHBondContact O-CB 3.49Å; H83-S86 PolarHBondContact O-N 3.42Å; H83-E87 WeakPolarHBondContact O-CG 3.45Å; H83-E87 PolarHBondContact O-N 2.78Å
84	V	92.4	Very high	90.8	Very high	62 Å²	62	63.8 Å²	63.8	38%	0.376	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.8	178.9	0	0	0	0	111.6	M13 R80 V81 A82 E87 A88	M13-V84 HydrophobicContact CE-CB 4.1Å; M13-V84 HydrophobicContact CE-CG1 3.27Å; M13-V84 HydrophobicContact SD-CG1 3.77Å; R80-V84 WeakPolarHBondContact O-CG2 2.86Å; R80-V84 PolarHBondContact O-N 2.83Å; V81-V84 PolarHBondContact O-N 3.38Å; A82-V84 PolarHBondContact O-N 2.75Å; V84-E87 PolarHBondContact O-N 2.79Å; V84-A88 WeakPolarHBondContact O-CB 2.93Å; V84-A88 PolarHBondContact O-N 3.18Å
85	V	90.9	Very high	90.8	Very high	21 Å²	21	62.9 Å²	62.9	13%	0.127	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-43.7	174.1	171.8	0	0	0	0	110.9	M20 V81 A82 H83 E87 A88 C89 T104	M20-V85 HydrophobicContact CE-CB 4.25Å; M20-V85 HydrophobicContact CE-CG1 3.26Å; M20-V85 HydrophobicContact CE-CG2 3.99Å; M20-V85 HydrophobicContact CG-CG1 4.34Å; V81-V85 HydrophobicContact CG1-CG2 4.47Å; V81-V85 WeakPolarHBondContact O-CG2 3.27Å; V81-V85 PolarHBondContact O-N 3.42Å; A82-V85 PolarHBondContact O-N 3.1Å; H83-V85 VanDerWaalsContact C-N 3.33Å; H83-V85 PolarHBondContact O-N 3.29Å; V85-E87 PolarHBondContact O-N 3.33Å; V85-A88 WeakPolarHBondContact O-CB 3.39Å; V85-A88 PolarHBondContact O-N 3.13Å; V85-C89 PolarHBondContact O-N 3.02Å; V85-T104 HydrophobicContact CB-CG2 4.3Å; V85-T104 HydrophobicContact CG1-CG2 3.58Å
86	S	91.9	Very high	90.9	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.028	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-47.7	176.6	-179.3	0	0	0	0	111.3	A82 H83 A88 C89 I90 R101 T104	A82-S86 WeakPolarHBondContact O-CB 3.4Å; A82-S86 PolarHBondContact O-N 3.09Å; H83-S86 WeakPolarHBondContact O-CB 3.49Å; H83-S86 PolarHBondContact O-N 3.42Å; S86-A88 VanDerWaalsContact C-N 3.31Å; S86-A88 PolarHBondContact O-N 2.01Å; S86-C89 WeakPolarHBondContact O-CB 3.39Å; S86-C89 PolarHBondContact O-N 2.97Å; S86-I90 WeakPolarHBondContact O-CD1 3.5Å; S86-I90 VanDerWaalsContact O-CG1 3.25Å; S86-I90 WeakPolarHBondContact O-CG1 3.26Å; S86-I90 PolarHBondContact O-N 3.12Å; S86-R101 VanDerWaalsContact OG-CG 3.29Å; S86-R101 WeakPolarHBondContact OG-CG 3.4Å; S86-T104 WeakPolarHBondContact CB-OG1 3.49Å
87	E	94.9	Very high	91	Very high	47 Å²	47	64.7 Å²	64.7	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-37.8	177.9	-66.6	-57.5	128	0	0	111.5	H83 V84 V85 I90 H91 R101	H83-E87 WeakPolarHBondContact O-CG 3.45Å; H83-E87 PolarHBondContact O-N 2.78Å; V84-E87 PolarHBondContact O-N 2.79Å; V85-E87 PolarHBondContact O-N 3.33Å; E87-I90 PolarHBondContact O-N 3.47Å; E87-H91 WeakPolarHBondContact O-CB 3.44Å; E87-H91 PolarHBondContact O-CD2 3.34Å; E87-H91 PolarHBondContact O-N 3.17Å; E87-R101 IonicContact OE1-CZ 3.15Å; E87-R101 IonicContact OE1-NH1 2.79Å; E87-R101 PolarHBondContact OE1-NH1 2.8Å; E87-R101 IonicContact OE1-NH2 3.11Å; E87-R101 PolarHBondContact OE1-NH2 2.7Å
88	A	93.2	Very high	91.1	Very high	24 Å²	24	65.9 Å²	65.9	20%	0.198	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-43.6	173.3	0	0	0	0	0	112.1	L17 V84 V85 S86 I90 H91 L92	L17-A88 HydrophobicContact CD2-CB 4.32Å; V84-A88 WeakPolarHBondContact O-CB 2.93Å; V84-A88 PolarHBondContact O-N 3.18Å; V85-A88 WeakPolarHBondContact O-CB 3.39Å; V85-A88 PolarHBondContact O-N 3.13Å; S86-A88 VanDerWaalsContact C-N 3.31Å; S86-A88 PolarHBondContact O-N 2.01Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.65Å; A88-H91 PolarHBondContact O-N 3.21Å; A88-L92 VanDerWaalsContact O-CB 3.25Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CG 3.4Å; A88-L92 PolarHBondContact O-N 2.99Å
89	C	92.9	Very high	91.3	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-57.2	-45.6	174.8	175.4	0	0	0	0	112.1	F24 V85 S86 H93 L94 C100	F24-C89 HydrophobicContact CE1-CB 4.18Å; F24-C89 WeakPolarHBondContact CE1-SG 3.42Å; F24-C89 HydrophobicContact CE2-CB 4.17Å; F24-C89 HydrophobicContact CZ-CB 3.74Å; F24-C89 WeakPolarHBondContact CZ-SG 3.46Å; V85-C89 PolarHBondContact O-N 3.02Å; S86-C89 WeakPolarHBondContact O-CB 3.39Å; S86-C89 PolarHBondContact O-N 2.97Å; C89-H93 PolarHBondContact O-N 3.48Å; C89-L94 PolarHBondContact O-N 3.01Å; C89-L94 VanDerWaalsContact O-N 3.09Å; C89-C100 HydrophobicContact CB-CB 3.66Å; C89-C100 WeakPolarHBondContact CB-SG 2.94Å; C89-C100 WeakPolarHBondContact SG-CB 3.36Å; C89-C100 CovalentContact SG-SG 2.03Å; C89-C100 PolarHBondContact SG-SG 3.4Å
90	I	92	Very high	91.4	Very high	31 Å²	31	60.5 Å²	60.5	16%	0.159	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-48.8	179.3	-64.8	160.4	0	0	0	110.7	S86 E87 A88 L92 H93 E97 C100 R101	S86-I90 WeakPolarHBondContact O-CD1 3.5Å; S86-I90 VanDerWaalsContact O-CG1 3.25Å; S86-I90 WeakPolarHBondContact O-CG1 3.26Å; S86-I90 PolarHBondContact O-N 3.12Å; E87-I90 PolarHBondContact O-N 3.47Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.65Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.26Å; I90-H93 PolarHBondContact O-N 3.48Å; I90-H93 VanDerWaalsContact O-N 3.15Å; I90-H93 PolarHBondContact O-ND1 3.3Å; I90-E97 HydrophobicContact CD1-CB 4.49Å; I90-E97 HydrophobicContact CD1-CG 3.79Å; I90-E97 HydrophobicContact CG1-CB 4.35Å; I90-E97 HydrophobicContact CG1-CG 4.2Å; I90-C100 HydrophobicContact CD1-CB 4.5Å; I90-C100 HydrophobicContact CG1-CB 3.81Å; I90-R101 HydrophobicContact CD1-CG 4.45Å
91	H	94.1	Very high	91.6	Very high	138 Å²	138	56.5 Å²	56.5	64%	0.639	29%	0.286	S	S	*	.	H	α-helix	trans	-68.2	-29.2	-178.1	-75.7	-52.5	0	0	0	113.7	E87 A88 H93	E87-H91 WeakPolarHBondContact O-CB 3.44Å; E87-H91 PolarHBondContact O-CD2 3.34Å; E87-H91 PolarHBondContact O-N 3.17Å; A88-H91 PolarHBondContact O-N 3.21Å; H91-H93 VanDerWaalsContact C-N 3.3Å
92	L	92.9	Very high	91.8	Very high	95 Å²	95	57.1 Å²	57.1	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.3	175.5	-65.4	174.8	0	0	0	113	L17 A88 I90 L94	L17-L92 HydrophobicContact CD2-CD1 3.46Å; L17-L92 VanDerWaalsContact CD2-CD1 3.46Å; A88-L92 VanDerWaalsContact O-CB 3.25Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CG 3.4Å; A88-L92 PolarHBondContact O-N 2.99Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.26Å; L92-L94 VanDerWaalsContact C-N 3.27Å; L92-L94 HydrophobicContact CB-CD1 4.44Å; L92-L94 HydrophobicContact CB-CD2 4.12Å; L92-L94 HydrophobicContact CB-CG 3.89Å; L92-L94 PolarHBondContact O-N 3.01Å
93	H	89.6	Confident	91.9	Very high	170 Å²	170	57.4 Å²	57.4	79%	0.787	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	39.7	-178.9	-57.2	-56.3	0	0	0	113.4	C89 I90 H91	C89-H93 PolarHBondContact O-N 3.48Å; I90-H93 PolarHBondContact O-N 3.48Å; I90-H93 VanDerWaalsContact O-N 3.15Å; I90-H93 PolarHBondContact O-ND1 3.3Å; H91-H93 VanDerWaalsContact C-N 3.3Å
94	L	86.3	Confident	92	Very high	79 Å²	79	53 Å²	53	41%	0.414	27%	0.269	S	S	.	.	S	Bend	trans	-75.1	-33.5	-179.9	-58.2	-176.9	0	0	0	112.3	F24 C89 L92	F24-L94 HydrophobicContact CB-CB 3.99Å; F24-L94 HydrophobicContact CB-CD1 4.24Å; F24-L94 HydrophobicContact CD1-CB 4.24Å; F24-L94 HydrophobicContact CD2-CB 4.46Å; F24-L94 HydrophobicContact CD2-CD1 3.66Å; F24-L94 HydrophobicContact CE2-CD1 4.24Å; F24-L94 HydrophobicContact CG-CB 3.97Å; F24-L94 HydrophobicContact CG-CD1 3.99Å; C89-L94 PolarHBondContact O-N 3.01Å; C89-L94 VanDerWaalsContact O-N 3.09Å; L92-L94 VanDerWaalsContact C-N 3.27Å; L92-L94 HydrophobicContact CB-CD1 4.44Å; L92-L94 HydrophobicContact CB-CD2 4.12Å; L92-L94 HydrophobicContact CB-CG 3.89Å; L92-L94 PolarHBondContact O-N 3.01Å
95	A	88.4	Confident	92	Very high	27 Å²	27	54.6 Å²	54.6	22%	0.223	27%	0.272	C	S	.	.	S	Bend	trans	-154.7	174	174	0	0	0	0	0	110.1	F24 V99	F24-A95 HydrophobicContact CD1-CB 4.4Å; A95-V99 HydrophobicContact CB-CB 3.94Å; A95-V99 HydrophobicContact CB-CG1 3.85Å
96	D	88.9	Confident	92.2	Very high	51 Å²	51	56 Å²	56	27%	0.273	28%	0.279	S	S	.	.			trans	-63.5	152.1	170.7	-82.3	-18.4	0	0	0	111	H98 V99 C100 R191	D96-H98 VanDerWaalsContact C-N 3.32Å; D96-H98 PolarHBondContact O-N 3.5Å; D96-V99 HydrophobicContact CB-CG2 4.43Å; D96-V99 WeakPolarHBondContact O-CB 3.46Å; D96-V99 PolarHBondContact O-N 3.16Å; D96-C100 PolarHBondContact O-N 3.39Å; D96-R191 WeakPolarHBondContact OD2-CB 3.44Å
97	E	91.9	Very high	92.3	Very high	106 Å²	106	56.4 Å²	56.4	50%	0.495	28%	0.28	S	S	.	.	H	α-helix	trans	-53.9	-45.3	-170	174.7	173.7	-179.8	0	0	113.6	I90 V99 C100 R101	I90-E97 HydrophobicContact CD1-CB 4.49Å; I90-E97 HydrophobicContact CD1-CG 3.79Å; I90-E97 HydrophobicContact CG1-CB 4.35Å; I90-E97 HydrophobicContact CG1-CG 4.2Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.43Å; E97-C100 PolarHBondContact O-N 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.31Å; E97-R101 PolarHBondContact O-N 3.45Å; E97-R101 IonicContact OE1-CZ 3.4Å; E97-R101 VanDerWaalsContact OE1-CZ 3.27Å; E97-R101 IonicContact OE1-NE 3.82Å; E97-R101 PolarHBondContact OE1-NE 2.98Å; E97-R101 IonicContact OE1-NH2 3.44Å; E97-R101 PolarHBondContact OE1-NH2 2.7Å
98	H	92.3	Very high	92.2	Very high	71 Å²	71	55.8 Å²	55.8	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-34.1	-179.4	75.6	-89.2	0	0	0	112	D96 R101 N102 E192	D96-H98 VanDerWaalsContact C-N 3.32Å; D96-H98 PolarHBondContact O-N 3.5Å; H98-R101 PolarHBondContact O-N 3.3Å; H98-N102 VanDerWaalsContact O-CB 3.31Å; H98-N102 WeakPolarHBondContact O-CB 3.31Å; H98-N102 PolarHBondContact O-N 2.98Å; H98-N102 PolarHBondContact O-OD1 3.34Å; H98-E192 IonicContact CE1-OE1 2.81Å; H98-E192 PolarHBondContact CE1-OE1 2.92Å; H98-E192 IonicContact NE2-OE1 3.99Å; H98-E192 PolarHBondContact NE2-OE1 3.31Å
99	V	91.5	Very high	92.2	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-48.8	175	-179.6	0	0	0	0	109.4	A95 D96 E97 R101 N102 I103 E192 P193 W254	A95-V99 HydrophobicContact CB-CB 3.94Å; A95-V99 HydrophobicContact CB-CG1 3.85Å; D96-V99 HydrophobicContact CB-CG2 4.43Å; D96-V99 WeakPolarHBondContact O-CB 3.46Å; D96-V99 PolarHBondContact O-N 3.16Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.43Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 2.66Å; V99-N102 PolarHBondContact O-N 2.93Å; V99-I103 WeakPolarHBondContact O-CB 3.46Å; V99-I103 WeakPolarHBondContact O-CG2 3.22Å; V99-I103 PolarHBondContact O-N 3.07Å; V99-E192 HydrophobicContact CG2-CG 4.1Å; V99-P193 HydrophobicContact CG1-CG 4.4Å; V99-W254 HydrophobicContact CB-CG 4.48Å; V99-W254 HydrophobicContact CG1-CB 4.02Å; V99-W254 HydrophobicContact CG1-CD2 4.1Å; V99-W254 HydrophobicContact CG1-CE3 4.32Å; V99-W254 HydrophobicContact CG1-CG 3.99Å; V99-W254 HydrophobicContact CG2-CD2 4.31Å; V99-W254 HydrophobicContact CG2-CG 4.4Å
100	C	92.8	Very high	92.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55	-46.8	176	-71.4	0	0	0	0	111.9	C89 I90 D96 E97 T104	C89-C100 HydrophobicContact CB-CB 3.66Å; C89-C100 WeakPolarHBondContact CB-SG 2.94Å; C89-C100 WeakPolarHBondContact SG-CB 3.36Å; C89-C100 CovalentContact SG-SG 2.03Å; C89-C100 PolarHBondContact SG-SG 3.4Å; I90-C100 HydrophobicContact CD1-CB 4.5Å; I90-C100 HydrophobicContact CG1-CB 3.81Å; D96-C100 PolarHBondContact O-N 3.39Å; E97-C100 PolarHBondContact O-N 3.3Å; C100-T104 WeakPolarHBondContact O-CB 3.3Å; C100-T104 WeakPolarHBondContact O-CG2 3.29Å; C100-T104 PolarHBondContact O-N 3.11Å; C100-T104 PolarHBondContact O-OG1 2.75Å
101	R	94.6	Very high	92.2	Very high	84 Å²	84	57.8 Å²	57.8	32%	0.317	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-47.8	-179.8	-70.9	-176.3	-171.3	-58.8	-3.3	112	S86 E87 I90 E97 H98 V99 T104 E105	S86-R101 VanDerWaalsContact OG-CG 3.29Å; S86-R101 WeakPolarHBondContact OG-CG 3.4Å; E87-R101 IonicContact OE1-CZ 3.15Å; E87-R101 IonicContact OE1-NH1 2.79Å; E87-R101 PolarHBondContact OE1-NH1 2.8Å; E87-R101 IonicContact OE1-NH2 3.11Å; E87-R101 PolarHBondContact OE1-NH2 2.7Å; I90-R101 HydrophobicContact CD1-CG 4.45Å; E97-R101 WeakPolarHBondContact O-CG 3.31Å; E97-R101 PolarHBondContact O-N 3.45Å; E97-R101 IonicContact OE1-CZ 3.4Å; E97-R101 VanDerWaalsContact OE1-CZ 3.27Å; E97-R101 IonicContact OE1-NE 3.82Å; E97-R101 PolarHBondContact OE1-NE 2.98Å; E97-R101 IonicContact OE1-NH2 3.44Å; E97-R101 PolarHBondContact OE1-NH2 2.7Å; H98-R101 PolarHBondContact O-N 3.3Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 2.66Å; R101-T104 PolarHBondContact O-OG1 2.72Å; R101-T104 VanDerWaalsContact O-OG1 3.05Å; R101-E105 WeakPolarHBondContact O-CB 3.19Å; R101-E105 PolarHBondContact O-N 2.86Å; R101-E105 VanDerWaalsContact O-N 3.12Å
102	N	93.9	Very high	92.2	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-71.6	-41.1	-174.9	-66.9	-5.4	0	0	0	112.2	H98 V99 E105 L106 W254	H98-N102 VanDerWaalsContact O-CB 3.31Å; H98-N102 WeakPolarHBondContact O-CB 3.31Å; H98-N102 PolarHBondContact O-N 2.98Å; H98-N102 PolarHBondContact O-OD1 3.34Å; V99-N102 PolarHBondContact O-N 2.93Å; N102-E105 PolarHBondContact O-N 2.64Å; N102-L106 WeakPolarHBondContact O-CB 3.44Å; N102-L106 PolarHBondContact O-N 3.39Å; N102-W254 HydrophobicContact CB-CB 4.39Å; N102-W254 VanDerWaalsContact CB-O 3.24Å; N102-W254 WeakPolarHBondContact CB-O 3Å
103	I	92.9	Very high	92.2	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-39.8	179.7	-157.6	173.5	0	0	0	111.4	F24 V99 E105 L106 F107 V253 W254	F24-I103 HydrophobicContact CE1-CG2 3.49Å; F24-I103 VanDerWaalsContact CE1-CG2 3.49Å; F24-I103 HydrophobicContact CZ-CG2 3.81Å; V99-I103 WeakPolarHBondContact O-CB 3.46Å; V99-I103 WeakPolarHBondContact O-CG2 3.22Å; V99-I103 PolarHBondContact O-N 3.07Å; I103-E105 PolarHBondContact O-N 2.92Å; I103-L106 PolarHBondContact O-N 3.29Å; I103-F107 HydrophobicContact CD1-CE2 4.2Å; I103-F107 HydrophobicContact CG1-CD2 3.73Å; I103-F107 HydrophobicContact CG1-CE2 3.66Å; I103-F107 WeakPolarHBondContact O-CB 3.41Å; I103-F107 VanDerWaalsContact O-CD2 3.24Å; I103-F107 WeakPolarHBondContact O-CD2 3.4Å; I103-F107 PolarHBondContact O-N 3.35Å; I103-V253 HydrophobicContact CD1-CG2 4.42Å; I103-W254 HydrophobicContact CB-CB 3.88Å; I103-W254 HydrophobicContact CG1-CB 4.37Å
104	T	93.2	Very high	92.4	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-37.5	178.5	52.5	0	0	0	0	111.9	F24 V85 S86 C100 R101 R108	F24-T104 HydrophobicContact CZ-CG2 4.29Å; V85-T104 HydrophobicContact CB-CG2 4.3Å; V85-T104 HydrophobicContact CG1-CG2 3.58Å; S86-T104 WeakPolarHBondContact CB-OG1 3.49Å; C100-T104 WeakPolarHBondContact O-CB 3.3Å; C100-T104 WeakPolarHBondContact O-CG2 3.29Å; C100-T104 PolarHBondContact O-N 3.11Å; C100-T104 PolarHBondContact O-OG1 2.75Å; R101-T104 PolarHBondContact O-OG1 2.72Å; R101-T104 VanDerWaalsContact O-OG1 3.05Å; T104-R108 WeakPolarHBondContact O-CB 3.18Å; T104-R108 PolarHBondContact O-N 3.42Å
105	E	93.8	Very high	92.7	Very high	95 Å²	95	39.3 Å²	39.3	44%	0.444	19%	0.19	S	C	.	.	H	α-helix	trans	-66	-44.4	173.6	-175.7	61.9	-167	0	0	111.8	R101 N102 I103 F107 R108	R101-E105 WeakPolarHBondContact O-CB 3.19Å; R101-E105 PolarHBondContact O-N 2.86Å; R101-E105 VanDerWaalsContact O-N 3.12Å; N102-E105 PolarHBondContact O-N 2.64Å; I103-E105 PolarHBondContact O-N 2.92Å; E105-F107 PolarHBondContact O-N 2.85Å; E105-R108 WeakPolarHBondContact O-CB 3.17Å; E105-R108 PolarHBondContact O-N 3.21Å; E105-R108 IonicContact OE1-CZ 3.69Å; E105-R108 IonicContact OE1-NH1 3.7Å; E105-R108 PolarHBondContact OE1-NH1 2.96Å; E105-R108 IonicContact OE1-NH2 3.41Å; E105-R108 PolarHBondContact OE1-NH2 3.1Å; E105-R108 VanDerWaalsContact OE1-NH2 3.11Å; E105-R108 IonicContact OE2-CZ 3.8Å; E105-R108 IonicContact OE2-NH1 2.85Å; E105-R108 PolarHBondContact OE2-NH1 2.93Å
106	L	94.1	Very high	92.9	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.267	18%	0.18	S	C	.	.	H	α-helix	trans	-63.3	-41	-179.8	-175.7	63.5	0	0	0	112.2	N102 I103 V253 P293	N102-L106 WeakPolarHBondContact O-CB 3.44Å; N102-L106 PolarHBondContact O-N 3.39Å; I103-L106 PolarHBondContact O-N 3.29Å; L106-V253 WeakPolarHBondContact CD2-O 3.21Å; L106-P293 HydrophobicContact CG-CB 4.4Å; L106-P293 HydrophobicContact CG-CG 4.23Å; L106-P293 WeakPolarHBondContact O-CG 3.46Å
107	F	94.5	Very high	93	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-81.8	-18	-179.6	-82.7	-107.5	0	0	0	113.9	L23 I103 E105 D109 D110 F111 P293 V294 F360	L23-F107 HydrophobicContact CD2-CD1 3.76Å; L23-F107 HydrophobicContact CD2-CE1 3.62Å; L23-F107 HydrophobicContact CD2-CZ 4.28Å; I103-F107 HydrophobicContact CD1-CE2 4.2Å; I103-F107 HydrophobicContact CG1-CD2 3.73Å; I103-F107 HydrophobicContact CG1-CE2 3.66Å; I103-F107 WeakPolarHBondContact O-CB 3.41Å; I103-F107 VanDerWaalsContact O-CD2 3.24Å; I103-F107 WeakPolarHBondContact O-CD2 3.4Å; I103-F107 PolarHBondContact O-N 3.35Å; E105-F107 PolarHBondContact O-N 2.85Å; F107-D109 PolarHBondContact O-N 3.01Å; F107-D110 PolarHBondContact O-N 3.11Å; F107-F111 HydrophobicContact CB-CB 4.36Å; F107-F111 WeakPolarHBondContact O-CB 3.21Å; F107-F111 PolarHBondContact O-N 2.82Å; F107-P293 HydrophobicContact CD1-CB 3.91Å; F107-P293 HydrophobicContact CD1-CG 4.42Å; F107-P293 HydrophobicContact CD2-CB 3.71Å; F107-P293 HydrophobicContact CD2-CG 4.3Å; F107-P293 HydrophobicContact CE1-CB 3.74Å; F107-P293 HydrophobicContact CE2-CB 3.55Å; F107-P293 HydrophobicContact CG-CB 3.91Å; F107-P293 HydrophobicContact CG-CG 4.24Å; F107-P293 HydrophobicContact CZ-CB 3.57Å; F107-V294 HydrophobicContact CE2-CG1 4.46Å; F107-V294 HydrophobicContact CZ-CG1 3.83Å; F107-F360 HydrophobicContact CD1-CE1 4.02Å; F107-F360 HydrophobicContact CE1-CD1 4.48Å; F107-F360 AromaticContact CE1-CE1 3.94Å; F107-F360 HydrophobicContact CE1-CE1 3.94Å
108	R	93.3	Very high	93.1	Very high	34 Å²	34	34.7 Å²	34.7	13%	0.128	16%	0.162	C	C	.	.	H	α-helix	trans	-45	-61.8	-168.4	-179.6	-178.6	73.1	-150.4	-9.3	113.1	E78 E79 A82 T104 E105 D110 I112	E78-R108 HydrophobicContact CB-CG 4.13Å; E79-R108 VanDerWaalsContact CG-NH1 3.35Å; A82-R108 HydrophobicContact CB-CB 4.17Å; A82-R108 HydrophobicContact CB-CG 3.84Å; T104-R108 WeakPolarHBondContact O-CB 3.18Å; T104-R108 PolarHBondContact O-N 3.42Å; E105-R108 WeakPolarHBondContact O-CB 3.17Å; E105-R108 PolarHBondContact O-N 3.21Å; E105-R108 IonicContact OE1-CZ 3.69Å; E105-R108 IonicContact OE1-NH1 3.7Å; E105-R108 PolarHBondContact OE1-NH1 2.96Å; E105-R108 IonicContact OE1-NH2 3.41Å; E105-R108 PolarHBondContact OE1-NH2 3.1Å; E105-R108 VanDerWaalsContact OE1-NH2 3.11Å; E105-R108 IonicContact OE2-CZ 3.8Å; E105-R108 IonicContact OE2-NH1 2.85Å; E105-R108 PolarHBondContact OE2-NH1 2.93Å; R108-D110 PolarHBondContact O-N 3.42Å; R108-I112 HydrophobicContact CG-CD1 3.73Å; R108-I112 VanDerWaalsContact O-CB 3.25Å; R108-I112 WeakPolarHBondContact O-CB 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.37Å; R108-I112 PolarHBondContact O-N 3.44Å
109	D	91.4	Very high	93	Very high	65 Å²	65	33.4 Å²	33.4	35%	0.348	16%	0.159	S	C	.	.	H	α-helix	trans	-69.4	-36.7	-166.9	-64.3	4.7	0	0	0	112.3	F107 R113	F107-D109 PolarHBondContact O-N 3.01Å; D109-R113 WeakPolarHBondContact O-CB 3.36Å
110	D	93	Very high	93.1	Very high	16 Å²	16	35.2 Å²	35.2	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-82.8	-43.4	-177.5	-76.2	-19.6	0	0	0	111.4	F107 R108 R113 A114 P293 F360 W361	F107-D110 PolarHBondContact O-N 3.11Å; R108-D110 PolarHBondContact O-N 3.42Å; D110-R113 PolarHBondContact O-N 2.64Å; D110-A114 WeakPolarHBondContact O-CB 3.37Å; D110-A114 PolarHBondContact O-N 3.44Å; D110-P293 WeakPolarHBondContact OD2-CD 3.42Å; D110-F360 HydrophobicContact CB-CE2 3.97Å; D110-F360 HydrophobicContact CB-CZ 3.91Å; D110-W361 HydrophobicContact CB-CZ2 3.79Å
111	F	93.2	Very high	93.1	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-70	-45.4	-177.5	-173.5	-103.1	0	0	0	111.9	M20 L23 F107 R113 A114 L115 F360	M20-F111 HydrophobicContact CE-CD1 4.32Å; M20-F111 HydrophobicContact CE-CE1 3.95Å; M20-F111 HydrophobicContact SD-CD1 4.38Å; M20-F111 HydrophobicContact SD-CE1 3.46Å; M20-F111 WeakPolarHBondContact SD-CE1 3.27Å; M20-F111 HydrophobicContact SD-CZ 3.81Å; L23-F111 HydrophobicContact CD1-CE1 4.43Å; L23-F111 HydrophobicContact CD1-CE2 4.4Å; L23-F111 HydrophobicContact CD1-CZ 4.25Å; F107-F111 HydrophobicContact CB-CB 4.36Å; F107-F111 WeakPolarHBondContact O-CB 3.21Å; F107-F111 PolarHBondContact O-N 2.82Å; F111-R113 VanDerWaalsContact C-N 3.26Å; F111-R113 PolarHBondContact O-N 3.11Å; F111-A114 PolarHBondContact O-N 2.96Å; F111-L115 HydrophobicContact CD1-CD1 3.86Å; F111-L115 HydrophobicContact CD1-CG 4.39Å; F111-L115 HydrophobicContact CE1-CD1 3.43Å; F111-L115 VanDerWaalsContact CE1-CD1 3.43Å; F111-L115 HydrophobicContact CE1-CG 4.1Å; F111-L115 HydrophobicContact CZ-CD1 4.03Å; F111-L115 HydrophobicContact CZ-CD2 4.48Å; F111-L115 HydrophobicContact CZ-CG 4.33Å; F111-L115 WeakPolarHBondContact O-CG 3.38Å; F111-L115 PolarHBondContact O-N 2.83Å; F111-F360 HydrophobicContact CD2-CB 4Å; F111-F360 HydrophobicContact CD2-CD1 4.19Å; F111-F360 HydrophobicContact CD2-CD2 4.09Å; F111-F360 AromaticContact CD2-CG 3.83Å; F111-F360 HydrophobicContact CD2-CG 3.83Å; F111-F360 HydrophobicContact CE2-CB 4.09Å; F111-F360 HydrophobicContact CE2-CG 4.42Å
112	I	92.9	Very high	93.1	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-41.8	176	-66.5	173.1	0	0	0	109.8	L72 E78 V81 R108 A114 L115 Q116	L72-I112 HydrophobicContact CD1-CG2 4.47Å; L72-I112 HydrophobicContact CD2-CG2 4.26Å; E78-I112 HydrophobicContact CB-CD1 3.88Å; E78-I112 HydrophobicContact CG-CD1 4.13Å; E78-I112 HydrophobicContact CG-CG2 4.23Å; V81-I112 HydrophobicContact CB-CD1 4.04Å; V81-I112 HydrophobicContact CG1-CD1 3.96Å; V81-I112 HydrophobicContact CG1-CG1 4.39Å; R108-I112 HydrophobicContact CG-CD1 3.73Å; R108-I112 VanDerWaalsContact O-CB 3.25Å; R108-I112 WeakPolarHBondContact O-CB 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.37Å; R108-I112 PolarHBondContact O-N 3.44Å; I112-A114 PolarHBondContact O-N 3.33Å; I112-L115 PolarHBondContact O-N 2.89Å; I112-Q116 HydrophobicContact CG2-CG 4.34Å; I112-Q116 WeakPolarHBondContact O-CG 3.36Å; I112-Q116 PolarHBondContact O-N 2.87Å
113	R	93.4	Very high	93	Very high	68 Å²	68	33 Å²	33	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-62.7	-43.5	177.5	179.2	56.2	177.9	-123.8	4.5	112.6	D109 D110 F111 L115 Q116 Q117 W361	D109-R113 WeakPolarHBondContact O-CB 3.36Å; D110-R113 PolarHBondContact O-N 2.64Å; F111-R113 VanDerWaalsContact C-N 3.26Å; F111-R113 PolarHBondContact O-N 3.11Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 PolarHBondContact O-N 2.91Å; R113-Q116 PolarHBondContact O-N 3.21Å; R113-Q117 WeakPolarHBondContact O-CG 3.3Å; R113-Q117 PolarHBondContact O-N 2.95Å; R113-Q117 VanDerWaalsContact O-N 3.08Å; R113-W361 HydrophobicContact CB-CH2 4.32Å; R113-W361 HydrophobicContact CG-CH2 4.03Å; R113-W361 HydrophobicContact CG-CZ3 4.29Å
114	A	93.8	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-41.9	176	0	0	0	0	0	111.3	D110 F111 I112 Q117 S118 F360 W361	D110-A114 WeakPolarHBondContact O-CB 3.37Å; D110-A114 PolarHBondContact O-N 3.44Å; F111-A114 PolarHBondContact O-N 2.96Å; I112-A114 PolarHBondContact O-N 3.33Å; A114-Q117 PolarHBondContact O-N 3.21Å; A114-S118 WeakPolarHBondContact O-CB 3.35Å; A114-S118 PolarHBondContact O-N 2.74Å; A114-S118 VanDerWaalsContact O-N 3.16Å; A114-S118 PolarHBondContact O-OG 2.83Å; A114-F360 HydrophobicContact CB-CD2 3.64Å; A114-F360 HydrophobicContact CB-CE2 4.18Å; A114-W361 HydrophobicContact CB-CD2 4.38Å; A114-W361 HydrophobicContact CB-CE3 4.06Å; A114-W361 HydrophobicContact CB-CZ3 4.25Å
115	L	92.4	Very high	93	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-43.9	175.7	-71.5	179.2	0	0	0	112.9	L19 F111 I112 R113 Q117 S118 V119 L120 L363	L19-L115 HydrophobicContact CD1-CD2 4.48Å; F111-L115 HydrophobicContact CD1-CD1 3.86Å; F111-L115 HydrophobicContact CD1-CG 4.39Å; F111-L115 HydrophobicContact CE1-CD1 3.43Å; F111-L115 VanDerWaalsContact CE1-CD1 3.43Å; F111-L115 HydrophobicContact CE1-CG 4.1Å; F111-L115 HydrophobicContact CZ-CD1 4.03Å; F111-L115 HydrophobicContact CZ-CD2 4.48Å; F111-L115 HydrophobicContact CZ-CG 4.33Å; F111-L115 WeakPolarHBondContact O-CG 3.38Å; F111-L115 PolarHBondContact O-N 2.83Å; I112-L115 PolarHBondContact O-N 2.89Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 PolarHBondContact O-N 2.91Å; L115-Q117 VanDerWaalsContact C-N 3.27Å; L115-Q117 PolarHBondContact O-N 3.37Å; L115-S118 CarbonylContact O-C 3.5Å; L115-S118 PolarHBondContact O-N 3.15Å; L115-S118 PolarHBondContact O-OG 3.05Å; L115-V119 HydrophobicContact CD2-CB 4.47Å; L115-V119 HydrophobicContact CD2-CG2 4.29Å; L115-V119 PolarHBondContact O-N 2.64Å; L115-L120 HydrophobicContact CB-CD1 4.04Å; L115-L120 HydrophobicContact CB-CG 4.31Å; L115-L120 WeakPolarHBondContact O-CB 3.44Å; L115-L120 PolarHBondContact O-N 2.73Å; L115-L363 HydrophobicContact CD2-CD1 4.14Å
116	Q	92.2	Very high	92.9	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-55.9	-42.8	174.5	-76.2	176	-61.4	0	0	112	D69 L72 I112 R113 S118 S121	D69-Q116 PolarHBondContact O-NE2 2.83Å; L72-Q116 HydrophobicContact CB-CG 4.03Å; L72-Q116 HydrophobicContact CD1-CG 3.81Å; I112-Q116 HydrophobicContact CG2-CG 4.34Å; I112-Q116 WeakPolarHBondContact O-CG 3.36Å; I112-Q116 PolarHBondContact O-N 2.87Å; R113-Q116 PolarHBondContact O-N 3.21Å; Q116-S118 VanDerWaalsContact C-N 3.27Å; Q116-S118 PolarHBondContact O-N 3.5Å; Q116-S121 PolarHBondContact O-N 3.49Å
117	Q	92.3	Very high	92.9	Very high	79 Å²	79	26.2 Å²	26.2	37%	0.369	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.8	-178	-67.1	-171	-50.9	0	0	114.2	R113 A114 L115 V364	R113-Q117 WeakPolarHBondContact O-CG 3.3Å; R113-Q117 PolarHBondContact O-N 2.95Å; R113-Q117 VanDerWaalsContact O-N 3.08Å; A114-Q117 PolarHBondContact O-N 3.21Å; L115-Q117 VanDerWaalsContact C-N 3.27Å; L115-Q117 PolarHBondContact O-N 3.37Å; Q117-V364 HydrophobicContact CB-CG1 4.17Å; Q117-V364 HydrophobicContact CB-CG2 3.86Å
118	S	93.2	Very high	92.7	Very high	2 Å²	2	29 Å²	29	1%	0.014	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-102.6	-178.8	58.9	0	0	0	0	110.6	A114 L115 Q116 L120 S121 E124 L363	A114-S118 WeakPolarHBondContact O-CB 3.35Å; A114-S118 PolarHBondContact O-N 2.74Å; A114-S118 VanDerWaalsContact O-N 3.16Å; A114-S118 PolarHBondContact O-OG 2.83Å; L115-S118 CarbonylContact O-C 3.5Å; L115-S118 PolarHBondContact O-N 3.15Å; L115-S118 PolarHBondContact O-OG 3.05Å; Q116-S118 VanDerWaalsContact C-N 3.27Å; Q116-S118 PolarHBondContact O-N 3.5Å; S118-L120 PolarHBondContact O-N 3.46Å; S118-L120 VanDerWaalsContact O-N 3.16Å; S118-S121 VanDerWaalsContact O-CB 3.22Å; S118-S121 WeakPolarHBondContact O-CB 3.14Å; S118-S121 PolarHBondContact O-N 3.3Å; S118-S121 PolarHBondContact O-OG 3.49Å; S118-E124 WeakPolarHBondContact O-CB 3.49Å; S118-E124 WeakPolarHBondContact O-CG 3.18Å; S118-L363 VanDerWaalsContact CB-C 3.47Å; S118-L363 WeakPolarHBondContact CB-O 3.41Å; S118-L363 WeakPolarHBondContact OG-CB 3.41Å
119	V	90.9	Very high	92.5	Very high	44 Å²	44	32.2 Å²	32.2	27%	0.267	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.5	-172.1	-177.6	0	0	0	0	112.4	L115 A125 I139	L115-V119 HydrophobicContact CD2-CB 4.47Å; L115-V119 HydrophobicContact CD2-CG2 4.29Å; L115-V119 PolarHBondContact O-N 2.64Å; V119-A125 WeakPolarHBondContact O-CB 3.39Å; V119-I139 HydrophobicContact CB-CD1 4.2Å; V119-I139 HydrophobicContact CG2-CD1 3.54Å
120	L	92.4	Very high	92.5	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.209	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.1	-178.5	-55.7	179.4	0	0	0	113	F65 L68 L72 L115 S118	F65-L120 WeakPolarHBondContact CD1-O 3.34Å; F65-L120 HydrophobicContact CE1-CD2 4.45Å; L68-L120 HydrophobicContact CD2-CD2 4.37Å; L72-L120 HydrophobicContact CD1-CD1 4.02Å; L115-L120 HydrophobicContact CB-CD1 4.04Å; L115-L120 HydrophobicContact CB-CG 4.31Å; L115-L120 WeakPolarHBondContact O-CB 3.44Å; L115-L120 PolarHBondContact O-N 2.73Å; S118-L120 PolarHBondContact O-N 3.46Å; S118-L120 VanDerWaalsContact O-N 3.16Å
121	S	94.3	Very high	92.2	Very high	22 Å²	22	31.4 Å²	31.4	15%	0.154	18%	0.175	C	C	.	.	S	Bend	trans	-64.6	142.9	176.6	79.6	0	0	0	0	109.7	Q116 S118 T123 E124 A125	Q116-S121 PolarHBondContact O-N 3.49Å; S118-S121 VanDerWaalsContact O-CB 3.22Å; S118-S121 WeakPolarHBondContact O-CB 3.14Å; S118-S121 PolarHBondContact O-N 3.3Å; S118-S121 PolarHBondContact O-OG 3.49Å; S121-T123 PolarHBondContact O-N 3.1Å; S121-T123 VanDerWaalsContact O-N 3.11Å; S121-E124 PolarHBondContact O-N 2.67Å; S121-E124 WeakPolarHBondContact OG-CB 3.05Å; S121-E124 WeakPolarHBondContact OG-CG 3.4Å; S121-E124 PolarHBondContact OG-N 3.16Å; S121-A125 WeakPolarHBondContact O-CB 3.44Å; S121-A125 PolarHBondContact O-N 3.1Å
122	P	93.2	Very high	92	Very high	27 Å²	27	36.3 Å²	36.3	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-27.4	-178.5	-25.9	33.6	0	0	0	114.1	K62 F65 C126	K62-P122 HydrophobicContact CG-CB 4.48Å; F65-P122 HydrophobicContact CB-CB 4.05Å; F65-P122 HydrophobicContact CB-CG 3.99Å; P122-C126 WeakPolarHBondContact O-CB 3.28Å; P122-C126 PolarHBondContact O-N 2.96Å; P122-C126 PolarHBondContact O-SG 2.84Å
123	T	92.8	Very high	91.8	Very high	61 Å²	61	41.2 Å²	41.2	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-74.4	-52.1	178.6	-59.3	0	0	0	0	110.8	S121 A127 T136	S121-T123 PolarHBondContact O-N 3.1Å; S121-T123 VanDerWaalsContact O-N 3.11Å; T123-A127 WeakPolarHBondContact O-CB 3.28Å; T123-A127 PolarHBondContact O-N 2.85Å; T123-A127 VanDerWaalsContact O-N 3.1Å; T123-T136 WeakPolarHBondContact CG2-OG1 3.36Å
124	E	92.7	Very high	91.7	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-52.4	-178.4	-66.3	-65.4	125.2	0	0	111.7	S118 S121 C126 A127 V128 T136 F137 D138 I139	S118-E124 WeakPolarHBondContact O-CB 3.49Å; S118-E124 WeakPolarHBondContact O-CG 3.18Å; S121-E124 PolarHBondContact O-N 2.67Å; S121-E124 WeakPolarHBondContact OG-CB 3.05Å; S121-E124 WeakPolarHBondContact OG-CG 3.4Å; S121-E124 PolarHBondContact OG-N 3.16Å; E124-C126 VanDerWaalsContact C-N 3.33Å; E124-C126 PolarHBondContact O-N 3Å; E124-A127 WeakPolarHBondContact O-CB 3.49Å; E124-A127 PolarHBondContact O-N 3.27Å; E124-V128 PolarHBondContact O-N 3.15Å; E124-T136 WeakPolarHBondContact CA-O 3.47Å; E124-F137 HydrophobicContact CB-CD2 4.44Å; E124-F137 WeakPolarHBondContact OE2-CA 3.38Å; E124-F137 WeakPolarHBondContact OE2-CD2 3.37Å; E124-D138 PolarHBondContact OE1-N 3.13Å; E124-D138 VanDerWaalsContact OE1-OD1 3.05Å; E124-D138 PolarHBondContact OE2-N 2.84Å; E124-I139 WeakPolarHBondContact OE2-CG1 3.26Å
125	A	92.4	Very high	91.5	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-42.4	-176.1	0	0	0	0	0	112.1	F65 V119 S121 V128 L129	F65-A125 HydrophobicContact CD1-CB 3.55Å; F65-A125 HydrophobicContact CD2-CB 3.89Å; F65-A125 HydrophobicContact CE1-CB 3.39Å; F65-A125 HydrophobicContact CE2-CB 3.77Å; F65-A125 HydrophobicContact CG-CB 3.8Å; F65-A125 HydrophobicContact CZ-CB 3.51Å; V119-A125 WeakPolarHBondContact O-CB 3.39Å; S121-A125 WeakPolarHBondContact O-CB 3.44Å; S121-A125 PolarHBondContact O-N 3.1Å; A125-V128 PolarHBondContact O-N 3.15Å; A125-L129 WeakPolarHBondContact O-CB 3.27Å; A125-L129 VanDerWaalsContact O-CG 3.29Å; A125-L129 WeakPolarHBondContact O-CG 3.45Å; A125-L129 PolarHBondContact O-N 2.63Å
126	C	93.3	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-77.2	-24.7	-179.4	-62.4	0	0	0	0	113.5	C61 K62 P122 E124 V128 V130 G131 C134	C61-C126 HydrophobicContact CB-CB 3.95Å; C61-C126 WeakPolarHBondContact CB-SG 3.11Å; C61-C126 WeakPolarHBondContact SG-CA 3.44Å; C61-C126 WeakPolarHBondContact SG-CB 3.29Å; C61-C126 CovalentContact SG-SG 2.04Å; C61-C126 PolarHBondContact SG-SG 2.92Å; K62-C126 HydrophobicContact CG-CB 4.5Å; K62-C126 PolarHBondContact N-SG 3.44Å; K62-C126 VanDerWaalsContact N-SG 3.38Å; P122-C126 WeakPolarHBondContact O-CB 3.28Å; P122-C126 PolarHBondContact O-N 2.96Å; P122-C126 PolarHBondContact O-SG 2.84Å; E124-C126 VanDerWaalsContact C-N 3.33Å; E124-C126 PolarHBondContact O-N 3Å; C126-V128 VanDerWaalsContact C-N 3.3Å; C126-V130 WeakPolarHBondContact O-CA 3.31Å; C126-V130 WeakPolarHBondContact O-CB 3.41Å; C126-V130 PolarHBondContact O-N 2.8Å; C126-G131 PolarHBondContact O-N 3.38Å; C126-C134 HydrophobicContact CB-CB 4.37Å
127	A	92.6	Very high	91.3	Very high	9 Å²	9	47.6 Å²	47.6	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-42.5	169.1	0	0	0	0	0	111.2	T123 E124 G131 G135 T136 F137	T123-A127 WeakPolarHBondContact O-CB 3.28Å; T123-A127 PolarHBondContact O-N 2.85Å; T123-A127 VanDerWaalsContact O-N 3.1Å; E124-A127 WeakPolarHBondContact O-CB 3.49Å; E124-A127 PolarHBondContact O-N 3.27Å; A127-G131 CarbonylContact O-C 3.02Å; A127-G131 WeakPolarHBondContact O-CA 3.21Å; A127-G131 PolarHBondContact O-N 2.68Å; A127-G135 VanDerWaalsContact CB-C 3.46Å; A127-T136 VanDerWaalsContact CB-O 3.31Å; A127-T136 WeakPolarHBondContact CB-O 3.19Å; A127-F137 HydrophobicContact CB-CB 4.06Å
128	V	90.5	Very high	91.2	Very high	72 Å²	72	48.1 Å²	48.1	44%	0.436	29%	0.29	S	S	.	.	H	α-helix	trans	-71.5	-47.6	177.6	178.2	0	0	0	0	111.7	E124 A125 C126 F137	E124-V128 PolarHBondContact O-N 3.15Å; A125-V128 PolarHBondContact O-N 3.15Å; C126-V128 VanDerWaalsContact C-N 3.3Å; V128-F137 HydrophobicContact CG2-CB 4.23Å; V128-F137 HydrophobicContact CG2-CD1 4.48Å; V128-F137 HydrophobicContact CG2-CD2 3.28Å; V128-F137 HydrophobicContact CG2-CE2 3.64Å; V128-F137 HydrophobicContact CG2-CG 3.75Å; V128-F137 HydrophobicContact CG2-CZ 4.39Å
129	L	89.9	Confident	91.1	Very high	101 Å²	101	49 Å²	49	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-80	-33.2	-171.5	-66.8	173.4	0	0	0	114.4	F65 A125	F65-L129 HydrophobicContact CE2-CD1 3.51Å; F65-L129 HydrophobicContact CZ-CD1 3.66Å; A125-L129 WeakPolarHBondContact O-CB 3.27Å; A125-L129 VanDerWaalsContact O-CG 3.29Å; A125-L129 WeakPolarHBondContact O-CG 3.45Å; A125-L129 PolarHBondContact O-N 2.63Å
130	V	91.4	Very high	91.2	Very high	49 Å²	49	51 Å²	51	30%	0.297	30%	0.298	S	S	.	.	H	α-helix	trans	-110.7	-25.6	-175.6	-174.1	0	0	0	0	111.7	C58 C61 C126 C134	C58-V130 HydrophobicContact CB-CG1 4.25Å; C61-V130 HydrophobicContact CB-CG2 3.68Å; C126-V130 WeakPolarHBondContact O-CA 3.31Å; C126-V130 WeakPolarHBondContact O-CB 3.41Å; C126-V130 PolarHBondContact O-N 2.8Å; V130-C134 HydrophobicContact CB-CB 3.93Å; V130-C134 HydrophobicContact CG1-CB 4.04Å
131	G	87	Confident	91.3	Very high	16 Å²	16	50.8 Å²	50.8	17%	0.165	30%	0.302	C	S	.	.			trans	115.2	171.2	179.9	0	0	0	0	0	113.3	C126 A127 S133 C134	C126-G131 PolarHBondContact O-N 3.38Å; A127-G131 CarbonylContact O-C 3.02Å; A127-G131 WeakPolarHBondContact O-CA 3.21Å; A127-G131 PolarHBondContact O-N 2.68Å; G131-S133 PolarHBondContact O-N 3.25Å; G131-C134 PolarHBondContact O-N 3.03Å
132	P	88.4	Confident	91.3	Very high	121 Å²	121	55.2 Å²	55.2	79%	0.786	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-13	-170.1	26.9	-36.2	0	0	0	114.3	C134 G135	P132-C134 PolarHBondContact O-N 2.88Å; P132-G135 CarbonylContact C-O 3.54Å
133	S	89.5	Confident	91.6	Very high	116 Å²	116	55.1 Å²	55.1	81%	0.811	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.6	171.4	57.9	0	0	0	0	113.3	G131	G131-S133 PolarHBondContact O-N 3.25Å
134	C	89.8	Confident	91.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.014	34%	0.341	C	S	.	.	S	Bend	trans	-104.6	-8.8	-177.6	-164.7	0	0	0	0	114.2	C58 K62 C126 V130 G131 P132	C58-C134 WeakPolarHBondContact CA-SG 3.45Å; C58-C134 HydrophobicContact CB-CB 3.73Å; C58-C134 WeakPolarHBondContact CB-SG 3.29Å; C58-C134 WeakPolarHBondContact SG-CA 3.39Å; C58-C134 WeakPolarHBondContact SG-CB 3.12Å; C58-C134 CovalentContact SG-SG 2.03Å; C58-C134 PolarHBondContact SG-SG 2.87Å; K62-C134 WeakPolarHBondContact CE-O 3.5Å; K62-C134 PolarHBondContact NZ-O 2.63Å; K62-C134 VanDerWaalsContact NZ-O 3.1Å; C126-C134 HydrophobicContact CB-CB 4.37Å; V130-C134 HydrophobicContact CB-CB 3.93Å; V130-C134 HydrophobicContact CG1-CB 4.04Å; G131-C134 PolarHBondContact O-N 3.03Å; P132-C134 PolarHBondContact O-N 2.88Å
135	G	90	Very high	92	Very high	15 Å²	15	58.6 Å²	58.6	16%	0.155	34%	0.344	C	S	.	.			trans	177	-172.5	178.6	0	0	0	0	0	111.4	A127 P132	A127-G135 VanDerWaalsContact CB-C 3.46Å; P132-G135 CarbonylContact C-O 3.54Å
136	T	90.2	Very high	92.2	Very high	84 Å²	84	63.2 Å²	63.2	52%	0.515	37%	0.371	S	S	.	.			trans	-111.2	147.3	170.7	49	0	0	0	0	108.6	T123 E124 A127	T123-T136 WeakPolarHBondContact CG2-OG1 3.36Å; E124-T136 WeakPolarHBondContact CA-O 3.47Å; A127-T136 VanDerWaalsContact CB-O 3.31Å; A127-T136 WeakPolarHBondContact CB-O 3.19Å
137	F	90.8	Very high	92.5	Very high	120 Å²	120	65 Å²	65	53%	0.526	38%	0.38	S	S	.	.			trans	-118.5	103.2	168.1	-175.9	-101.6	0	0	0	108.4	E124 A127 V128 I139	E124-F137 HydrophobicContact CB-CD2 4.44Å; E124-F137 WeakPolarHBondContact OE2-CA 3.38Å; E124-F137 WeakPolarHBondContact OE2-CD2 3.37Å; A127-F137 HydrophobicContact CB-CB 4.06Å; V128-F137 HydrophobicContact CG2-CB 4.23Å; V128-F137 HydrophobicContact CG2-CD1 4.48Å; V128-F137 HydrophobicContact CG2-CD2 3.28Å; V128-F137 HydrophobicContact CG2-CE2 3.64Å; V128-F137 HydrophobicContact CG2-CG 3.75Å; V128-F137 HydrophobicContact CG2-CZ 4.39Å; F137-I139 HydrophobicContact CE2-CB 4.2Å; F137-I139 HydrophobicContact CE2-CD1 3.9Å; F137-I139 HydrophobicContact CE2-CG1 4.22Å; F137-I139 HydrophobicContact CZ-CB 4Å; F137-I139 HydrophobicContact CZ-CD1 4.4Å
138	D	90.1	Very high	92.7	Very high	90 Å²	90	66.8 Å²	66.8	48%	0.481	39%	0.391	S	S	.	.			trans	-121.6	6.2	-172.6	68.6	11.5	0	0	0	114.8	E124 Y140 A141	E124-D138 PolarHBondContact OE1-N 3.13Å; E124-D138 VanDerWaalsContact OE1-OD1 3.05Å; E124-D138 PolarHBondContact OE2-N 2.84Å; D138-Y140 PolarHBondContact O-N 2.64Å; D138-Y140 VanDerWaalsContact O-N 3.13Å; D138-A141 HydrophobicContact CB-CB 4.2Å; D138-A141 WeakPolarHBondContact O-CB 3.22Å; D138-A141 PolarHBondContact O-N 2.94Å
139	I	91.6	Very high	93	Very high	22 Å²	22	73.5 Å²	73.5	11%	0.113	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	119.9	173	-61.7	178.2	0	0	0	110	V119 E124 F137 A141 L363	V119-I139 HydrophobicContact CB-CD1 4.2Å; V119-I139 HydrophobicContact CG2-CD1 3.54Å; E124-I139 WeakPolarHBondContact OE2-CG1 3.26Å; F137-I139 HydrophobicContact CE2-CB 4.2Å; F137-I139 HydrophobicContact CE2-CD1 3.9Å; F137-I139 HydrophobicContact CE2-CG1 4.22Å; F137-I139 HydrophobicContact CZ-CB 4Å; F137-I139 HydrophobicContact CZ-CD1 4.4Å; I139-A141 PolarHBondContact O-N 2.71Å; I139-L363 HydrophobicContact CG2-CD2 3.92Å
140	Y	92.9	Very high	93.3	Very high	84 Å²	84	71.6 Å²	71.6	33%	0.329	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	27.8	-175	-54.9	-56.7	0	0	0	114.7	D138 L362 L363 S366 L402	D138-Y140 PolarHBondContact O-N 2.64Å; D138-Y140 VanDerWaalsContact O-N 3.13Å; Y140-L362 HydrophobicContact CE1-CB 4.13Å; Y140-L363 HydrophobicContact CE2-CD2 3.54Å; Y140-L363 WeakPolarHBondContact OH-CD2 3.1Å; Y140-S366 WeakPolarHBondContact CA-OG 3.2Å; Y140-L402 HydrophobicContact CD1-CD1 4.08Å; Y140-L402 HydrophobicContact CD1-CD2 4.08Å; Y140-L402 HydrophobicContact CE1-CD1 3.75Å; Y140-L402 HydrophobicContact CE1-CD2 3.89Å
141	A	93.4	Very high	93.6	Very high	36 Å²	36	74.4 Å²	74.4	30%	0.298	43%	0.426	S	S	.	.			trans	-56.9	141	174	0	0	0	0	0	111.1	D138 I139 W143	D138-A141 HydrophobicContact CB-CB 4.2Å; D138-A141 WeakPolarHBondContact O-CB 3.22Å; D138-A141 PolarHBondContact O-N 2.94Å; I139-A141 PolarHBondContact O-N 2.71Å; A141-W143 PolarHBondContact O-N 3.38Å
142	P	95.8	Very high	94.1	Very high	116 Å²	116	77.4 Å²	77.4	75%	0.753	44%	0.435	S	S	*	.			trans	-60.7	136.7	175.9	-23.8	33.6	0	0	0	112.5	S404	P142-S404 WeakPolarHBondContact CA-OG 3.44Å
143	W	97.5	Very high	94.5	Very high	25 Å²	25	73.9 Å²	73.9	10%	0.095	41%	0.412	C	S	.	.			trans	-139.2	156	176.9	56.5	-93.6	0	0	0	110.3	A141 S366 T367 D368 L373 W405 N408	A141-W143 PolarHBondContact O-N 3.38Å; W143-S366 PolarHBondContact NE1-O 3.36Å; W143-T367 HydrophobicContact CB-CG2 3.9Å; W143-T367 HydrophobicContact CD2-CG2 4.25Å; W143-T367 HydrophobicContact CG-CG2 3.92Å; W143-D368 HydrophobicContact CE3-CB 4.35Å; W143-D368 HydrophobicContact CH2-CB 3.87Å; W143-D368 HydrophobicContact CZ3-CB 3.77Å; W143-L373 HydrophobicContact CH2-CD1 3.69Å; W143-L373 HydrophobicContact CH2-CG 4.45Å; W143-L373 HydrophobicContact CZ3-CD1 4.1Å; W143-W405 HydrophobicContact CH2-CB 4.41Å; W143-W405 AromaticContact CH2-CD1 3.97Å; W143-W405 HydrophobicContact CH2-CG 4.39Å; W143-W405 HydrophobicContact CZ2-CB 3.94Å; W143-W405 AromaticContact CZ2-CD1 3.94Å; W143-W405 HydrophobicContact CZ2-CG 4.27Å; W143-N408 HydrophobicContact CH2-CB 4.39Å; W143-N408 HydrophobicContact CZ3-CB 4.07Å; W143-N408 PolarHBondContact O-ND2 2.91Å
144	N	97.9	Very high	94.7	Very high	126 Å²	126	73.8 Å²	73.8	67%	0.674	41%	0.408	S	S	*	.			trans	-128.1	145.6	-178.6	-68.4	-21.4	0	0	0	110.9	N408	N144-N408 WeakPolarHBondContact CA-OD1 3.19Å
145	I	97.4	Very high	94.9	Very high	19 Å²	19	76.8 Å²	76.8	10%	0.097	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-84.4	152	171.8	-150	68.1	0	0	0	110.5	L147 L373 Q374 V377 N408 I412	I145-L147 HydrophobicContact CG2-CD2 4.43Å; I145-L373 HydrophobicContact CD1-CB 4Å; I145-L373 HydrophobicContact CG1-CB 4.35Å; I145-Q374 HydrophobicContact CD1-CB 3.83Å; I145-V377 HydrophobicContact CG1-CG2 4.27Å; I145-N408 HydrophobicContact CB-CB 4.42Å; I145-N408 HydrophobicContact CG2-CB 4.39Å; I145-N408 PolarHBondContact N-OD1 3.02Å; I145-I412 HydrophobicContact CG2-CD1 4.19Å; I145-I412 HydrophobicContact CG2-CG1 4.11Å
146	T	97	Very high	94.9	Very high	104 Å²	104	81.2 Å²	81.2	64%	0.638	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-99.7	117.4	174.2	-59	0	0	0	0	110	Q374	T146-Q374 PolarHBondContact O-NE2 3.29Å
147	L	97.8	Very high	94.8	Very high	38 Å²	38	82.2 Å²	82.2	20%	0.199	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-79.9	150.5	170.6	-63.8	-178.8	0	0	0	111.4	I145 V377 H411 I412 R415 Y416	I145-L147 HydrophobicContact CG2-CD2 4.43Å; L147-V377 HydrophobicContact CD2-CG1 4.24Å; L147-V377 HydrophobicContact CD2-CG2 3.87Å; L147-H411 WeakPolarHBondContact CD1-NE2 3.35Å; L147-I412 HydrophobicContact CD2-CG1 4.25Å; L147-R415 HydrophobicContact CD1-CB 3.68Å; L147-R415 HydrophobicContact CD1-CG 3.81Å; L147-R415 HydrophobicContact CD2-CB 4.43Å; L147-R415 HydrophobicContact CD2-CG 4.37Å; L147-Y416 HydrophobicContact CD2-CE2 4.31Å
148	P	97.1	Very high	94.6	Very high	46 Å²	46	79.1 Å²	79.1	30%	0.299	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-62.4	153.7	172.7	-19.9	33.8	0	0	0	111.2	V150 V377 Q381 Y416	P148-V150 HydrophobicContact CB-CG2 4.28Å; P148-V150 PolarHBondContact O-N 2.83Å; P148-V150 VanDerWaalsContact O-N 3.1Å; P148-V377 HydrophobicContact CG-CG1 3.97Å; P148-Q381 HydrophobicContact CB-CG 4.36Å; P148-Q381 HydrophobicContact CG-CB 4.16Å; P148-Q381 HydrophobicContact CG-CG 3.98Å; P148-Y416 WeakPolarHBondContact CD-OH 3.37Å
149	K	96.6	Very high	94.7	Very high	214 Å²	214	79 Å²	79	93%	0.93	46%	0.457	S	S	*	.	S	Bend	trans	-73.4	4.3	176.6	-62.2	-175.9	-179.8	-179.8	0	113.9	P151	K149-P151 WeakPolarHBondContact O-CD 3.28Å
150	V	97.6	Very high	94.7	Very high	61 Å²	61	82.2 Å²	82.2	37%	0.37	48%	0.479	S	S	.	.	S	Bend	trans	-66.6	121.3	176.5	-178.2	0	0	0	0	108.1	P148 K152 R415	P148-V150 HydrophobicContact CB-CG2 4.28Å; P148-V150 PolarHBondContact O-N 2.83Å; P148-V150 VanDerWaalsContact O-N 3.1Å; V150-K152 PolarHBondContact O-N 3.06Å; V150-R415 PolarHBondContact O-NE 3.24Å; V150-R415 PolarHBondContact O-NH2 2.86Å
151	P	97.2	Very high	94.8	Very high	107 Å²	107	79.8 Å²	79.8	70%	0.695	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-57.6	137.7	-179.4	-24.5	34.2	0	0	0	111.7	K149 P153	K149-P151 WeakPolarHBondContact O-CD 3.28Å; P151-P153 WeakPolarHBondContact O-CD 3.46Å
152	K	97.5	Very high	94.9	Very high	80 Å²	80	85.9 Å²	85.9	35%	0.348	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-58.9	125.5	172.9	-179.1	175.2	173.5	174.4	0	109.4	V150 N414 E417	V150-K152 PolarHBondContact O-N 3.06Å; K152-N414 WeakPolarHBondContact CE-O 3.1Å; K152-N414 PolarHBondContact NZ-O 3.34Å; K152-N414 PolarHBondContact NZ-OD1 2.94Å; K152-E417 WeakPolarHBondContact CE-OE1 3.39Å; K152-E417 IonicContact NZ-OE1 3.83Å; K152-E417 PolarHBondContact NZ-OE1 3.3Å
153	P	96.2	Very high	94.8	Very high	47 Å²	47	86.9 Å²	86.9	31%	0.305	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-59.6	155.6	176	-24.2	33.9	0	0	0	112.2	P151 V155 E384	P151-P153 WeakPolarHBondContact O-CD 3.46Å; P153-V155 PolarHBondContact O-N 3.02Å; P153-E384 HydrophobicContact CG-CG 4.46Å
154	P	95.3	Very high	94.6	Very high	113 Å²	113	89.7 Å²	89.7	73%	0.734	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-56.2	136.2	174	-24.1	34	0	0	0	112.1	T156	P154-T156 PolarHBondContact O-N 3.15Å; P154-T156 PolarHBondContact O-OG1 3.34Å
155	V	93.3	Very high	94.5	Very high	65 Å²	65	85 Å²	85	39%	0.394	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-64	124	176.6	179.3	0	0	0	0	109.2	P153 E417	P153-V155 PolarHBondContact O-N 3.02Å; V155-E417 WeakPolarHBondContact CG2-OE1 3.24Å
156	T	89.6	Confident	94.5	Very high	108 Å²	108	87.5 Å²	87.5	66%	0.663	53%	0.531	S	S	*	.			trans	-119.9	115.3	175.8	-54.3	0	0	0	0	108.7	P154	P154-T156 PolarHBondContact O-N 3.15Å; P154-T156 PolarHBondContact O-OG1 3.34Å
157	P	87.5	Confident	94.5	Very high	105 Å²	105	87.7 Å²	87.7	68%	0.682	52%	0.524	S	S	*	.			trans	-58.9	140.5	177.3	-24.8	34.3	0	0	0	111.5
158	P	88.4	Confident	94.5	Very high	56 Å²	56	86 Å²	86	36%	0.364	52%	0.516	S	S	.	.			trans	-66.4	138.1	176.6	28.9	-35	0	0	0	110.8	L480 F525	P158-L480 HydrophobicContact CB-CD1 3.26Å; P158-L480 HydrophobicContact CG-CD1 4.24Å; P158-F525 HydrophobicContact CB-CD1 4.45Å; P158-F525 HydrophobicContact CB-CD2 3.87Å; P158-F525 HydrophobicContact CB-CE1 4.44Å; P158-F525 HydrophobicContact CB-CE2 3.85Å; P158-F525 HydrophobicContact CB-CG 4.18Å; P158-F525 HydrophobicContact CB-CZ 4.15Å; P158-F525 HydrophobicContact CG-CB 4.07Å; P158-F525 HydrophobicContact CG-CD1 4.43Å; P158-F525 HydrophobicContact CG-CD2 3.67Å; P158-F525 HydrophobicContact CG-CE2 4.18Å; P158-F525 HydrophobicContact CG-CG 3.81Å
159	S	90.5	Very high	94.6	Very high	87 Å²	87	87 Å²	87	61%	0.608	51%	0.513	S	S	*	.			trans	-108.5	139.6	173.4	61	0	0	0	0	109.9
160	P	91.9	Very high	94.7	Very high	90 Å²	90	76.8 Å²	76.8	58%	0.584	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-55.6	145.5	174.2	-25.3	34.7	0	0	0	111.5	F525	P160-F525 HydrophobicContact CG-CE2 4.11Å
161	P	95.3	Very high	94.7	Very high	32 Å²	32	73.9 Å²	73.9	21%	0.208	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-63.3	153.7	177	27.5	-34.5	0	0	0	110.7	D471 Y474 L482	P161-D471 WeakPolarHBondContact CB-OD1 3.42Å; P161-Y474 WeakPolarHBondContact CB-OH 3.19Å; P161-L482 HydrophobicContact CG-CD1 3.89Å; P161-L482 HydrophobicContact CG-CD2 3.8Å
162	K	95	Very high	94.8	Very high	165 Å²	165	68.9 Å²	68.9	72%	0.717	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-62.3	145.8	177.1	-66.5	178.4	-178.2	176.1	0	109.8	G164 S165	K162-G164 PolarHBondContact O-N 3.03Å; K162-S165 PolarHBondContact N-OG 3.26Å; K162-S165 VanDerWaalsContact O-CB 3.3Å; K162-S165 WeakPolarHBondContact O-CB 3.36Å; K162-S165 PolarHBondContact O-N 2.92Å; K162-S165 PolarHBondContact O-OG 3.44Å
163	P	93.4	Very high	94.9	Very high	137 Å²	137	65.3 Å²	65.3	89%	0.89	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.8	173.9	-27.9	35.2	0	0	0	111.8	S165	P163-S165 VanDerWaalsContact C-N 3.34Å
164	G	93.6	Very high	95	Very high	84 Å²	84	63.2 Å²	63.2	87%	0.866	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	4.4	-177.4	0	0	0	0	0	115.5	K162	K162-G164 PolarHBondContact O-N 3.03Å
165	S	96.9	Very high	95.2	Very high	27 Å²	27	57.9 Å²	57.9	19%	0.189	36%	0.355	C	S	.	.			trans	-62.2	143.7	170.9	-57	0	0	0	0	110.6	K162 P163	K162-S165 PolarHBondContact N-OG 3.26Å; K162-S165 VanDerWaalsContact O-CB 3.3Å; K162-S165 WeakPolarHBondContact O-CB 3.36Å; K162-S165 PolarHBondContact O-N 2.92Å; K162-S165 PolarHBondContact O-OG 3.44Å; P163-S165 VanDerWaalsContact C-N 3.34Å
166	P	96.8	Very high	95.4	Very high	71 Å²	71	55 Å²	55	46%	0.461	34%	0.338	S	S	.	.			trans	-55.6	146.5	175.6	-23.8	33.2	0	0	0	111.8	G472 Y474	P166-G472 WeakPolarHBondContact O-CA 3.38Å; P166-G472 PolarHBondContact O-N 2.7Å; P166-Y474 HydrophobicContact CG-CD1 4.25Å
167	Q	96.8	Very high	95.9	Very high	108 Å²	108	49.9 Å²	49.9	51%	0.505	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.6	173.3	-63.4	-175.8	2.7	0	0	109.4	V470 L482	Q167-V470 CarbonylContact C-O 3.56Å; Q167-V470 WeakPolarHBondContact CA-O 3.18Å; Q167-L482 HydrophobicContact CG-CD1 3.93Å
168	S	98.1	Very high	96.4	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.6	171.2	-68.3	0	0	0	0	110.3	D240 V470	S168-D240 WeakPolarHBondContact CA-OD2 3.31Å; S168-V470 PolarHBondContact N-O 2.97Å; S168-V470 PolarHBondContact O-N 2.99Å
169	R	98.3	Very high	96.9	Very high	66 Å²	66	43.2 Å²	43.2	25%	0.249	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.9	174.5	-66.9	178.9	71.9	-149.8	-0.1	109	A236 G237 W239 D240 Y469	R169-A236 PolarHBondContact NH1-O 2.99Å; R169-A236 PolarHBondContact NH2-O 2.87Å; R169-G237 PolarHBondContact NH1-O 2.93Å; R169-W239 HydrophobicContact CB-CE3 4.26Å; R169-W239 HydrophobicContact CB-CZ3 4.45Å; R169-D240 PolarHBondContact N-OD2 3.2Å; R169-D240 PolarHBondContact O-N 3.11Å; R169-Y469 HydrophobicContact CG-CD1 4.05Å; R169-Y469 HydrophobicContact CG-CE1 3.87Å
170	V	98.8	Very high	97.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.6	-174.2	-174.9	0	0	0	0	109.3	W241 Y243 I467 Y468 V470	V170-W241 HydrophobicContact CG1-CG 4.42Å; V170-W241 VanDerWaalsContact CG1-NE1 3.25Å; V170-W241 HydrophobicContact CG2-CD2 4.05Å; V170-W241 HydrophobicContact CG2-CH2 3.91Å; V170-W241 HydrophobicContact CG2-CZ2 3.25Å; V170-Y243 HydrophobicContact CG1-CD2 3.82Å; V170-Y243 HydrophobicContact CG1-CE2 3.96Å; V170-Y243 HydrophobicContact CG1-CG 4.16Å; V170-I467 CarbonylContact O-C 3.59Å; V170-I467 WeakPolarHBondContact O-CA 3.12Å; V170-Y468 PolarHBondContact N-O 2.93Å; V170-Y468 PolarHBondContact O-N 3.46Å; V170-V470 HydrophobicContact CG2-CG2 3.96Å
171	L	98.9	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.9	170.7	178	66.2	0	0	0	109.3	L173 A233 W239 W241 V242 Y243 L276 Y465	L171-L173 HydrophobicContact CD1-CD2 4.24Å; L171-L173 HydrophobicContact CD2-CD1 4.22Å; L171-L173 HydrophobicContact CD2-CD2 4.16Å; L171-L173 HydrophobicContact CD2-CG 4.12Å; L171-L173 HydrophobicContact CG-CD2 4.17Å; L171-L173 HydrophobicContact CG-CG 4.15Å; L171-A233 HydrophobicContact CD1-CB 4.24Å; L171-A233 HydrophobicContact CD2-CB 3.94Å; L171-W239 HydrophobicContact CB-CD2 3.9Å; L171-W239 HydrophobicContact CB-CE3 4.21Å; L171-W239 HydrophobicContact CB-CG 4.17Å; L171-W239 HydrophobicContact CB-CZ2 4.45Å; L171-W239 HydrophobicContact CD1-CZ2 4.18Å; L171-W241 PolarHBondContact N-O 3.31Å; L171-V242 HydrophobicContact CB-CB 4.49Å; L171-V242 HydrophobicContact CB-CG1 4.23Å; L171-V242 HydrophobicContact CB-CG2 4.07Å; L171-V242 HydrophobicContact CD2-CG1 4.19Å; L171-V242 HydrophobicContact CD2-CG2 4.2Å; L171-V242 HydrophobicContact CG-CG1 4.23Å; L171-V242 CarbonylContact O-C 3.58Å; L171-V242 VanDerWaalsContact O-CA 3.32Å; L171-V242 WeakPolarHBondContact O-CA 3.49Å; L171-Y243 PolarHBondContact O-N 3.28Å; L171-L276 HydrophobicContact CD2-CD1 4Å; L171-L276 HydrophobicContact CD2-CD2 4.09Å; L171-Y465 HydrophobicContact CD1-CD2 3.7Å; L171-Y465 HydrophobicContact CD1-CE2 4.15Å
172	F	98.9	Very high	97.5	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.8	175.4	-166	-83.1	0	0	0	110.2	T174 Y243 T245 F424 F425 A452 R466 Y468	F172-T174 HydrophobicContact CD1-CG2 4.33Å; F172-T174 HydrophobicContact CE1-CG2 3.9Å; F172-Y243 WeakPolarHBondContact CA-O 3.22Å; F172-Y243 VanDerWaalsContact CD2-CB 3.49Å; F172-Y243 HydrophobicContact CD2-CD2 4.08Å; F172-Y243 HydrophobicContact CD2-CG 4.3Å; F172-Y243 HydrophobicContact CE2-CD2 4.39Å; F172-T245 HydrophobicContact CE1-CG2 4.42Å; F172-T245 HydrophobicContact CE2-CG2 3.8Å; F172-T245 HydrophobicContact CZ-CG2 3.47Å; F172-T245 VanDerWaalsContact CZ-CG2 3.47Å; F172-T245 WeakPolarHBondContact CZ-OG1 3.49Å; F172-F424 HydrophobicContact CD2-CB 4.12Å; F172-F424 HydrophobicContact CE2-CB 3.38Å; F172-F424 HydrophobicContact CE2-CG 4.3Å; F172-F424 HydrophobicContact CZ-CB 4.04Å; F172-F425 WeakPolarHBondContact CZ-O 3.16Å; F172-A452 HydrophobicContact CD1-CB 3.3Å; F172-A452 HydrophobicContact CE1-CB 3.39Å; F172-A452 HydrophobicContact CG-CB 4.28Å; F172-A452 HydrophobicContact CZ-CB 4.43Å; F172-R466 HydrophobicContact CB-CB 4.08Å; F172-R466 HydrophobicContact CB-CG 4.18Å; F172-R466 PolarHBondContact N-O 3.48Å; F172-R466 PolarHBondContact O-N 3.38Å; F172-Y468 HydrophobicContact CB-CD2 3.88Å; F172-Y468 HydrophobicContact CB-CE2 3.61Å; F172-Y468 HydrophobicContact CD2-CD2 4.3Å; F172-Y468 AromaticContact CD2-CE2 3.72Å; F172-Y468 HydrophobicContact CD2-CE2 3.72Å; F172-Y468 HydrophobicContact CG-CD2 4.36Å; F172-Y468 AromaticContact CG-CE2 3.7Å; F172-Y468 HydrophobicContact CG-CE2 3.7Å
173	L	98.9	Very high	97.6	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.6	176.9	-59.3	177.9	0	0	0	109	L171 L229 L230 V242 Y243 W244 T245 I272	L171-L173 HydrophobicContact CD1-CD2 4.24Å; L171-L173 HydrophobicContact CD2-CD1 4.22Å; L171-L173 HydrophobicContact CD2-CD2 4.16Å; L171-L173 HydrophobicContact CD2-CG 4.12Å; L171-L173 HydrophobicContact CG-CD2 4.17Å; L171-L173 HydrophobicContact CG-CG 4.15Å; L173-L229 HydrophobicContact CD2-CD2 3.84Å; L173-L230 HydrophobicContact CD1-CD2 3.92Å; L173-V242 HydrophobicContact CD1-CG1 4.25Å; L173-V242 HydrophobicContact CG-CG1 4.35Å; L173-Y243 PolarHBondContact N-O 2.77Å; L173-W244 HydrophobicContact CB-CB 4.47Å; L173-W244 HydrophobicContact CB-CG 4.43Å; L173-W244 CarbonylContact O-C 3.53Å; L173-W244 VanDerWaalsContact O-CA 3.23Å; L173-W244 WeakPolarHBondContact O-CA 3.32Å; L173-T245 PolarHBondContact O-N 2.9Å; L173-I272 HydrophobicContact CD1-CD1 4.41Å; L173-I272 HydrophobicContact CD1-CG1 4.38Å
174	T	98.9	Very high	97.6	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.025	21%	0.205	C	C	.	.			trans	-158.4	154.8	178.1	-162.7	0	0	0	0	110.5	F172 I176 T245 A452 P453 A455	F172-T174 HydrophobicContact CD1-CG2 4.33Å; F172-T174 HydrophobicContact CE1-CG2 3.9Å; T174-I176 PolarHBondContact O-N 2.85Å; T174-T245 VanDerWaalsContact CB-OG1 3.23Å; T174-T245 WeakPolarHBondContact CB-OG1 3.23Å; T174-T245 PolarHBondContact OG1-OG1 2.85Å; T174-A452 HydrophobicContact CG2-CB 4.19Å; T174-P453 WeakPolarHBondContact CG2-O 3.42Å; T174-A455 PolarHBondContact O-N 3Å
175	D	98.9	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.			trans	49.9	57.9	171.5	-49.1	-54.8	0	0	0	111.6	G246 D247 H395 H427 H429 A455 T456	D175-G246 PolarHBondContact N-O 2.72Å; D175-D247 CarbonylContact C-O 3.55Å; D175-H395 IonicContact OD1-CE1 3.52Å; D175-H395 PolarHBondContact OD1-CE1 2.78Å; D175-H395 IonicContact OD1-ND1 2.93Å; D175-H395 IonicContact OD1-NE2 3.9Å; D175-H427 WeakPolarHBondContact OD1-CA 3.49Å; D175-H427 PolarHBondContact OD1-N 3.44Å; D175-H427 VanDerWaalsContact OD1-N 3.13Å; D175-H427 PolarHBondContact OD2-N 3.06Å; D175-H429 IonicContact OD1-CD2 2.64Å; D175-H429 IonicContact OD1-NE2 2.71Å; D175-H429 IonicContact OD2-CD2 3.53Å; D175-A455 PolarHBondContact O-N 3.04Å; D175-T456 PolarHBondContact O-N 2.89Å
176	I	98.8	Very high	97.4	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	18%	0.177	C	C	.	.			trans	-68.1	-43.1	-178.5	-65	176.3	0	0	0	110.1	T174 W178 V226 W244 D247 I268 I272 A455	T174-I176 PolarHBondContact O-N 2.85Å; I176-W178 PolarHBondContact O-N 3.38Å; I176-V226 HydrophobicContact CG2-CB 4.42Å; I176-V226 HydrophobicContact CG2-CG1 3.76Å; I176-V226 HydrophobicContact CG2-CG2 3.73Å; I176-W244 HydrophobicContact CD1-CZ2 4.18Å; I176-D247 PolarHBondContact N-O 2.88Å; I176-I268 HydrophobicContact CD1-CG2 3.64Å; I176-I268 HydrophobicContact CG2-CD1 4.38Å; I176-I272 HydrophobicContact CD1-CD1 4.33Å; I176-A455 HydrophobicContact CG1-CB 4.4Å
177	H	98.8	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.			trans	37.8	71	-176.3	-61.2	-78.3	0	0	0	112.6	D179 D220 L221 D247 I248 P249 H251 H289 H429 T456	H177-D179 PolarHBondContact O-N 2.88Å; H177-D220 HydrophobicContact CB-CB 4.26Å; H177-D220 WeakPolarHBondContact CB-OD1 3.32Å; H177-D220 IonicContact CG-OD1 3.5Å; H177-D220 WeakPolarHBondContact O-CB 3.28Å; H177-L221 PolarHBondContact O-N 3.33Å; H177-D247 IonicContact CE1-OD2 3.94Å; H177-D247 PolarHBondContact CE1-OD2 3.27Å; H177-D247 PolarHBondContact N-O 2.93Å; H177-D247 IonicContact NE2-OD2 3.97Å; H177-D247 PolarHBondContact NE2-OD2 3.02Å; H177-I248 CarbonylContact C-O 3.56Å; H177-I248 VanDerWaalsContact CA-O 3.24Å; H177-I248 WeakPolarHBondContact CA-O 3.29Å; H177-I248 PolarHBondContact N-O 3.47Å; H177-P249 PolarHBondContact ND1-O 3.01Å; H177-H251 AromaticContact CD2-CE1 3.65Å; H177-H251 AromaticContact CE1-CE1 3.26Å; H177-H251 PolarHBondContact CE1-CE1 3.15Å; H177-H251 AromaticContact CE1-NE2 3.63Å; H177-H251 AromaticContact CG-CE1 3.56Å; H177-H251 AromaticContact CG-ND1 3.97Å; H177-H251 AromaticContact ND1-CE1 3.34Å; H177-H251 PolarHBondContact ND1-CE1 2.6Å; H177-H251 VanDerWaalsContact ND1-CE1 3.34Å; H177-H251 AromaticContact ND1-ND1 3.73Å; H177-H251 AromaticContact NE2-CE1 3.45Å; H177-H251 PolarHBondContact NE2-CE1 2.89Å; H177-H251 AromaticContact NE2-NE2 3.92Å; H177-H289 AromaticContact CE1-CD2 3.92Å; H177-H289 AromaticContact CE1-CG 3.85Å; H177-H429 AromaticContact CD2-CE1 3.81Å; H177-H429 AromaticContact CD2-NE2 3.78Å; H177-H429 AromaticContact NE2-CE1 3.43Å; H177-H429 PolarHBondContact NE2-CE1 3.34Å; H177-H429 AromaticContact NE2-NE2 3.14Å; H177-H429 PolarHBondContact NE2-NE2 2.99Å; H177-H429 VanDerWaalsContact NE2-NE2 3.14Å; H177-T456 HydrophobicContact CB-CG2 4.23Å; H177-T456 VanDerWaalsContact CD2-CG2 3.47Å; H177-T456 WeakPolarHBondContact CD2-CG2 3.35Å
178	W	98.8	Very high	97	Very high	19 Å²	19	26.5 Å²	26.5	7%	0.072	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-73.7	117.1	172.9	170.1	34.3	0	0	0	109.6	I176 K180 L223 V226 I248 E264 V267 I268	I176-W178 PolarHBondContact O-N 3.38Å; W178-K180 HydrophobicContact CH2-CB 4.47Å; W178-K180 HydrophobicContact CH2-CG 4.49Å; W178-K180 HydrophobicContact CZ2-CB 3.87Å; W178-K180 HydrophobicContact CZ2-CG 3.98Å; W178-L223 HydrophobicContact CD2-CD1 3.8Å; W178-L223 HydrophobicContact CE3-CD1 4.28Å; W178-L223 HydrophobicContact CG-CD1 4.09Å; W178-L223 HydrophobicContact CH2-CD2 4.49Å; W178-L223 HydrophobicContact CZ2-CB 4.29Å; W178-L223 HydrophobicContact CZ2-CD1 4.1Å; W178-L223 HydrophobicContact CZ2-CD2 4Å; W178-L223 HydrophobicContact CZ2-CG 4.37Å; W178-V226 HydrophobicContact CB-CG2 4.45Å; W178-I248 PolarHBondContact N-O 3.31Å; W178-E264 HydrophobicContact CE3-CB 4.08Å; W178-E264 HydrophobicContact CE3-CG 3.78Å; W178-E264 HydrophobicContact CZ3-CB 4.18Å; W178-E264 HydrophobicContact CZ3-CG 3.74Å; W178-V267 HydrophobicContact CE3-CB 4.47Å; W178-V267 HydrophobicContact CE3-CG1 4.22Å; W178-V267 HydrophobicContact CH2-CB 4.28Å; W178-V267 HydrophobicContact CH2-CG1 3.93Å; W178-V267 HydrophobicContact CH2-CG2 4.28Å; W178-V267 HydrophobicContact CZ3-CB 3.67Å; W178-V267 HydrophobicContact CZ3-CG1 3.57Å; W178-V267 HydrophobicContact CZ3-CG2 4.05Å; W178-I268 HydrophobicContact CB-CD1 3.96Å; W178-I268 HydrophobicContact CB-CG1 4.44Å; W178-I268 HydrophobicContact CD2-CD1 4.26Å; W178-I268 HydrophobicContact CE3-CD1 3.98Å; W178-I268 HydrophobicContact CE3-CG1 3.92Å; W178-I268 HydrophobicContact CG-CD1 4.25Å
179	D	98.4	Very high	96.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.011	15%	0.15	C	C	.	.			trans	-94.9	108.8	168.3	-173.7	3.6	0	0	0	110.3	H177 E181 Y182 R197 D220 L221 A250	H177-D179 PolarHBondContact O-N 2.88Å; D179-E181 PolarHBondContact O-N 2.97Å; D179-E181 WeakPolarHBondContact OD1-CA 3.47Å; D179-E181 PolarHBondContact OD1-N 2.96Å; D179-Y182 PolarHBondContact O-N 2.87Å; D179-R197 IonicContact OD1-NE 3.66Å; D179-R197 PolarHBondContact OD1-NE 2.97Å; D179-R197 IonicContact OD1-NH2 3.04Å; D179-R197 VanDerWaalsContact OD2-CD 3.24Å; D179-R197 WeakPolarHBondContact OD2-CD 3.39Å; D179-R197 WeakPolarHBondContact OD2-CG 3.4Å; D179-R197 IonicContact OD2-NE 3.68Å; D179-R197 PolarHBondContact OD2-NE 3.11Å; D179-D220 HydrophobicContact CB-CB 3.82Å; D179-L221 PolarHBondContact N-O 2.86Å; D179-A250 HydrophobicContact CB-CB 3.75Å
180	K	96.6	Very high	96.2	Very high	134 Å²	134	26.9 Å²	26.9	58%	0.583	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.5	175.3	-178	177.9	173.6	-171.3	0	112.6	W178	W178-K180 HydrophobicContact CH2-CB 4.47Å; W178-K180 HydrophobicContact CH2-CG 4.49Å; W178-K180 HydrophobicContact CZ2-CB 3.87Å; W178-K180 HydrophobicContact CZ2-CG 3.98Å
181	E	96.6	Very high	95.6	Very high	80 Å²	80	36.2 Å²	36.2	37%	0.374	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	7	-175.2	-67.6	177.4	-148.4	0	0	113.2	D179 E183 R197	D179-E181 PolarHBondContact O-N 2.97Å; D179-E181 WeakPolarHBondContact OD1-CA 3.47Å; D179-E181 PolarHBondContact OD1-N 2.96Å; E181-E183 PolarHBondContact O-N 2.94Å; E181-R197 HydrophobicContact CB-CG 4.39Å; E181-R197 WeakPolarHBondContact O-CA 3.4Å; E181-R197 IonicContact OE1-NH2 3.73Å; E181-R197 PolarHBondContact OE1-NH2 2.79Å; E181-R197 IonicContact OE2-CZ 3.27Å; E181-R197 IonicContact OE2-NH1 3.99Å; E181-R197 PolarHBondContact OE2-NH1 3.05Å; E181-R197 IonicContact OE2-NH2 3.35Å; E181-R197 PolarHBondContact OE2-NH2 3.34Å
182	Y	97.9	Very high	95.1	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-58.4	124	174.1	-173.4	-76	0	0	0	111.2	D179 C196 A210 G211 G214 T215 C219 D220 P222	D179-Y182 PolarHBondContact O-N 2.87Å; Y182-C196 CarbonylContact C-O 3.51Å; Y182-C196 WeakPolarHBondContact CA-O 3.26Å; Y182-C196 HydrophobicContact CD2-CB 3.84Å; Y182-C196 HydrophobicContact CE2-CB 3.49Å; Y182-C196 VanDerWaalsContact CE2-CB 3.49Å; Y182-A210 HydrophobicContact CE1-CB 4.41Å; Y182-G211 VanDerWaalsContact CE1-O 3.28Å; Y182-G211 WeakPolarHBondContact CE1-O 3.45Å; Y182-G211 PolarHBondContact OH-O 3.4Å; Y182-G214 VanDerWaalsContact OH-C 3.31Å; Y182-G214 VanDerWaalsContact OH-CA 3.25Å; Y182-G214 WeakPolarHBondContact OH-CA 3.23Å; Y182-G214 PolarHBondContact OH-N 2.92Å; Y182-T215 PolarHBondContact OH-OG1 3.41Å; Y182-C219 HydrophobicContact CE2-CB 4.38Å; Y182-D220 WeakPolarHBondContact CD2-O 3.07Å; Y182-D220 VanDerWaalsContact CE2-O 3.25Å; Y182-D220 WeakPolarHBondContact CE2-O 3.44Å; Y182-P222 HydrophobicContact CD1-CB 3.6Å; Y182-P222 HydrophobicContact CD1-CG 3.72Å; Y182-P222 HydrophobicContact CE1-CB 4.32Å; Y182-P222 HydrophobicContact CE1-CG 3.93Å; Y182-P222 HydrophobicContact CG-CB 3.82Å; Y182-P222 HydrophobicContact CG-CG 4.08Å
183	E	95.9	Very high	94.8	Very high	108 Å²	108	39.4 Å²	39.4	51%	0.505	20%	0.198	S	C	.	.			trans	-125.9	124.3	-176.9	-174.8	60.4	-155.4	0	0	111.1	E181 G185 S186 C196 A198	E181-E183 PolarHBondContact O-N 2.94Å; E183-G185 PolarHBondContact O-N 3.47Å; E183-S186 WeakPolarHBondContact O-CB 3.05Å; E183-S186 PolarHBondContact O-N 3.27Å; E183-S186 PolarHBondContact O-OG 3.42Å; E183-C196 PolarHBondContact N-O 2.89Å; E183-A198 HydrophobicContact CB-CB 4.25Å; E183-A198 HydrophobicContact CG-CB 4.42Å
184	T	94.2	Very high	94.6	Very high	57 Å²	57	39.2 Å²	39.2	35%	0.35	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	136.8	179.8	-54.3	0	0	0	0	110.5	S186 Y212 R224	T184-S186 PolarHBondContact O-N 2.67Å; T184-Y212 HydrophobicContact CG2-CD2 4.5Å; T184-R224 PolarHBondContact OG1-NH2 2.85Å; T184-R224 VanDerWaalsContact OG1-NH2 3.11Å
185	G	91.8	Very high	94.4	Very high	38 Å²	38	39 Å²	39	39%	0.392	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-6.6	178.8	0	0	0	0	0	115.1	E183 A210	E183-G185 PolarHBondContact O-N 3.47Å; G185-A210 PolarHBondContact N-O 2.79Å
186	S	93.3	Very high	94.3	Very high	10 Å²	10	39 Å²	39	7%	0.07	20%	0.196	C	C	.	.	S	Bend	trans	-65.6	162.6	170.5	64	0	0	0	0	111.9	E183 T184 A188 C196 R197 G209 A210	E183-S186 WeakPolarHBondContact O-CB 3.05Å; E183-S186 PolarHBondContact O-N 3.27Å; E183-S186 PolarHBondContact O-OG 3.42Å; T184-S186 PolarHBondContact O-N 2.67Å; S186-A188 PolarHBondContact O-N 2.74Å; S186-C196 WeakPolarHBondContact OG-CA 3.27Å; S186-C196 PolarHBondContact OG-O 3.08Å; S186-C196 VanDerWaalsContact OG-O 3.1Å; S186-R197 WeakPolarHBondContact CB-O 3.14Å; S186-R197 PolarHBondContact OG-N 3.25Å; S186-G209 CarbonylContact O-C 3.6Å; S186-G209 WeakPolarHBondContact O-CA 3.46Å; S186-A210 WeakPolarHBondContact O-CB 3.39Å; S186-A210 PolarHBondContact O-N 3.25Å
187	P	92.4	Very high	94.1	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.032	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-61.7	125.5	180	-22.5	33.7	0	0	0	112.6	C190 C195 C196 S200 G201 P203	P187-C190 HydrophobicContact CB-CB 4.49Å; P187-C195 WeakPolarHBondContact O-CB 3.36Å; P187-C196 PolarHBondContact O-N 3.39Å; P187-S200 WeakPolarHBondContact CG-O 3.39Å; P187-G201 WeakPolarHBondContact CD-O 3.41Å; P187-G201 VanDerWaalsContact CG-C 3.42Å; P187-G201 VanDerWaalsContact CG-O 3.31Å; P187-G201 WeakPolarHBondContact CG-O 3.37Å; P187-P203 HydrophobicContact CB-CB 4.48Å; P187-P203 HydrophobicContact CG-CB 4.27Å
188	A	92.8	Very high	93.5	Very high	8 Å²	8	42.2 Å²	42.2	7%	0.066	22%	0.223	C	C	.	.	S	Bend	trans	-84.9	-15.6	170.4	0	0	0	0	0	112.7	S186 R208 T215 S217	S186-A188 PolarHBondContact O-N 2.74Å; A188-R208 WeakPolarHBondContact CB-O 3.49Å; A188-R208 PolarHBondContact N-O 3.1Å; A188-T215 HydrophobicContact CB-CG2 3.65Å; A188-S217 WeakPolarHBondContact O-CB 3.5Å; A188-S217 PolarHBondContact O-OG 2.94Å
189	D	90.4	Very high	92.8	Very high	61 Å²	61	45 Å²	45	33%	0.326	24%	0.239	S	C	.	.	S	Bend	trans	-115.3	41.2	-176.3	69.1	-40.3	0	0	0	112.7	R208	D189-R208 VanDerWaalsContact CG-CD 3.45Å; D189-R208 WeakPolarHBondContact OD2-CD 3.23Å; D189-R208 IonicContact OD2-CZ 2.64Å; D189-R208 IonicContact OD2-NE 3.98Å; D189-R208 IonicContact OD2-NH1 2.82Å; D189-R208 PolarHBondContact OD2-NH1 3.2Å
190	C	89.4	Confident	92	Very high	15 Å²	15	45.5 Å²	45.5	10%	0.101	24%	0.243	C	C	.	.			trans	-68.3	170.7	175.6	82.7	0	0	0	0	112.3	P187 C195 K218	P187-C190 HydrophobicContact CB-CB 4.49Å; C190-C195 WeakPolarHBondContact CA-SG 3.46Å; C190-C195 HydrophobicContact CB-CB 3.88Å; C190-C195 WeakPolarHBondContact CB-SG 3.34Å; C190-C195 PolarHBondContact N-SG 3.04Å; C190-C195 WeakPolarHBondContact SG-CA 3.47Å; C190-C195 WeakPolarHBondContact SG-CB 3.11Å; C190-C195 CovalentContact SG-SG 2.03Å; C190-C195 PolarHBondContact SG-SG 3.04Å; C190-K218 VanDerWaalsContact O-CE 3.23Å; C190-K218 WeakPolarHBondContact O-CE 3.33Å; C190-K218 PolarHBondContact O-NZ 3.24Å
191	R	87.5	Confident	91	Very high	198 Å²	198	41.2 Å²	41.2	75%	0.747	24%	0.237	S	C	*	.	S	Bend	trans	-82.5	-25	178	-73.8	-177.9	178.7	-179.1	-1.5	113.3	D96	D96-R191 WeakPolarHBondContact OD2-CB 3.44Å
192	E	88.9	Confident	89.8	Confident	18 Å²	18	43.6 Å²	43.6	8%	0.084	26%	0.257	C	S	.	.	S	Bend	trans	-65.9	158.3	179.2	-64.6	158.3	-162.5	0	0	112.3	H98 V99 L194 K218 W254	H98-E192 IonicContact CE1-OE1 2.81Å; H98-E192 PolarHBondContact CE1-OE1 2.92Å; H98-E192 IonicContact NE2-OE1 3.99Å; H98-E192 PolarHBondContact NE2-OE1 3.31Å; V99-E192 HydrophobicContact CG2-CG 4.1Å; E192-L194 PolarHBondContact O-N 2.87Å; E192-K218 WeakPolarHBondContact O-CE 3.45Å; E192-K218 PolarHBondContact O-NZ 2.91Å; E192-W254 HydrophobicContact CB-CH2 4.15Å; E192-W254 HydrophobicContact CB-CZ2 4.12Å; E192-W254 HydrophobicContact CG-CZ2 4.49Å
193	P	91.7	Very high	88.3	Confident	50 Å²	50	45 Å²	45	33%	0.325	27%	0.267	S	S	.	.	S	Bend	trans	-64.2	-23.1	179.7	-20.8	31	0	0	0	115.1	V99 W254 Y458	V99-P193 HydrophobicContact CG1-CG 4.4Å; P193-W254 HydrophobicContact CB-CH2 4.39Å; P193-W254 HydrophobicContact CB-CZ3 3.78Å; P193-W254 HydrophobicContact CG-CE3 4.19Å; P193-W254 HydrophobicContact CG-CH2 4.39Å; P193-W254 HydrophobicContact CG-CZ3 3.78Å; P193-Y458 PolarHBondContact O-OH 3.45Å
194	L	95.4	Very high	86.9	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-128.6	132.3	173.5	-176.9	68.8	0	0	0	108.9	E192 D220 A250 H251 N252 W254 Y458	E192-L194 PolarHBondContact O-N 2.87Å; L194-D220 HydrophobicContact CD1-CB 4.08Å; L194-D220 WeakPolarHBondContact CD1-OD2 3.17Å; L194-A250 HydrophobicContact CD2-CB 4.04Å; L194-H251 HydrophobicContact CB-CB 4.44Å; L194-H251 HydrophobicContact CD1-CB 4.3Å; L194-H251 HydrophobicContact CD2-CB 4.42Å; L194-N252 HydrophobicContact CD2-CB 4.05Å; L194-W254 HydrophobicContact CB-CH2 3.74Å; L194-W254 HydrophobicContact CB-CZ3 4.2Å; L194-Y458 HydrophobicContact CD1-CD2 4.09Å; L194-Y458 HydrophobicContact CD1-CE2 4.19Å
195	C	95.1	Very high	85.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.			trans	-117.9	-162.2	-179.4	-57.5	0	0	0	0	111.3	P187 C190 R197 S200 K218	P187-C195 WeakPolarHBondContact O-CB 3.36Å; C190-C195 WeakPolarHBondContact CA-SG 3.46Å; C190-C195 HydrophobicContact CB-CB 3.88Å; C190-C195 WeakPolarHBondContact CB-SG 3.34Å; C190-C195 PolarHBondContact N-SG 3.04Å; C190-C195 WeakPolarHBondContact SG-CA 3.47Å; C190-C195 WeakPolarHBondContact SG-CB 3.11Å; C190-C195 CovalentContact SG-SG 2.03Å; C190-C195 PolarHBondContact SG-SG 3.04Å; C195-R197 VanDerWaalsContact C-N 3.26Å; C195-R197 PolarHBondContact O-N 3.17Å; C195-S200 WeakPolarHBondContact CA-OG 3.36Å; C195-K218 PolarHBondContact N-O 3.35Å; C195-K218 WeakPolarHBondContact SG-CE 3.4Å
196	C	96.1	Very high	84	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	64.6	26.7	-178	-57.6	0	0	0	0	114.2	Y182 E183 S186 P187 A210 C219	Y182-C196 CarbonylContact C-O 3.51Å; Y182-C196 WeakPolarHBondContact CA-O 3.26Å; Y182-C196 HydrophobicContact CD2-CB 3.84Å; Y182-C196 HydrophobicContact CE2-CB 3.49Å; Y182-C196 VanDerWaalsContact CE2-CB 3.49Å; E183-C196 PolarHBondContact N-O 2.89Å; S186-C196 WeakPolarHBondContact OG-CA 3.27Å; S186-C196 PolarHBondContact OG-O 3.08Å; S186-C196 VanDerWaalsContact OG-O 3.1Å; P187-C196 PolarHBondContact O-N 3.39Å; C196-A210 HydrophobicContact CB-CB 3.63Å; C196-A210 VanDerWaalsContact SG-CB 3.58Å; C196-C219 HydrophobicContact CB-CB 3.59Å; C196-C219 WeakPolarHBondContact CB-SG 3.48Å; C196-C219 WeakPolarHBondContact SG-CB 3.32Å; C196-C219 CovalentContact SG-SG 2.02Å; C196-C219 PolarHBondContact SG-SG 3.04Å
197	R	94.2	Very high	82.4	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-117.3	159.9	-179.7	-61.9	167.1	96.4	-119.7	3.6	110.5	D179 E181 S186 C195 D199 S200 N252	D179-R197 IonicContact OD1-NE 3.66Å; D179-R197 PolarHBondContact OD1-NE 2.97Å; D179-R197 IonicContact OD1-NH2 3.04Å; D179-R197 VanDerWaalsContact OD2-CD 3.24Å; D179-R197 WeakPolarHBondContact OD2-CD 3.39Å; D179-R197 WeakPolarHBondContact OD2-CG 3.4Å; D179-R197 IonicContact OD2-NE 3.68Å; D179-R197 PolarHBondContact OD2-NE 3.11Å; E181-R197 HydrophobicContact CB-CG 4.39Å; E181-R197 WeakPolarHBondContact O-CA 3.4Å; E181-R197 IonicContact OE1-NH2 3.73Å; E181-R197 PolarHBondContact OE1-NH2 2.79Å; E181-R197 IonicContact OE2-CZ 3.27Å; E181-R197 IonicContact OE2-NH1 3.99Å; E181-R197 PolarHBondContact OE2-NH1 3.05Å; E181-R197 IonicContact OE2-NH2 3.35Å; E181-R197 PolarHBondContact OE2-NH2 3.34Å; S186-R197 WeakPolarHBondContact CB-O 3.14Å; S186-R197 PolarHBondContact OG-N 3.25Å; C195-R197 VanDerWaalsContact C-N 3.26Å; C195-R197 PolarHBondContact O-N 3.17Å; R197-D199 WeakPolarHBondContact CB-OD1 3.36Å; R197-D199 IonicContact NH1-OD1 2.81Å; R197-D199 PolarHBondContact NH1-OD1 3.46Å; R197-D199 IonicContact NH1-OD2 2.68Å; R197-D199 PolarHBondContact NH1-OD2 3.05Å; R197-D199 PolarHBondContact O-N 3.39Å; R197-S200 PolarHBondContact N-OG 3.41Å; R197-S200 VanDerWaalsContact O-CB 3.25Å; R197-S200 WeakPolarHBondContact O-CB 3.48Å; R197-S200 PolarHBondContact O-N 3.09Å; R197-S200 VanDerWaalsContact O-N 3.07Å; R197-S200 PolarHBondContact O-OG 3.2Å; R197-N252 PolarHBondContact NH2-ND2 2.86Å
198	A	86.3	Confident	81.5	Confident	74 Å²	74	78.9 Å²	78.9	61%	0.612	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-61.5	-30.2	-179.1	0	0	0	0	0	113.1	E183	E183-A198 HydrophobicContact CB-CB 4.25Å; E183-A198 HydrophobicContact CG-CB 4.42Å
199	D	84.3	Confident	81.3	Confident	76 Å²	76	79.6 Å²	79.6	41%	0.406	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-80.2	-12.4	177.1	59.2	-11.8	0	0	0	113.8	R197 G201	R197-D199 WeakPolarHBondContact CB-OD1 3.36Å; R197-D199 IonicContact NH1-OD1 2.81Å; R197-D199 PolarHBondContact NH1-OD1 3.46Å; R197-D199 IonicContact NH1-OD2 2.68Å; R197-D199 PolarHBondContact NH1-OD2 3.05Å; R197-D199 PolarHBondContact O-N 3.39Å; D199-G201 PolarHBondContact O-N 3.4Å
200	S	81.6	Confident	81.5	Confident	13 Å²	13	76.9 Å²	76.9	9%	0.091	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-66.7	-2	178.6	-56.6	0	0	0	0	114.7	P187 C195 R197	P187-S200 WeakPolarHBondContact CG-O 3.39Å; C195-S200 WeakPolarHBondContact CA-OG 3.36Å; R197-S200 PolarHBondContact N-OG 3.41Å; R197-S200 VanDerWaalsContact O-CB 3.25Å; R197-S200 WeakPolarHBondContact O-CB 3.48Å; R197-S200 PolarHBondContact O-N 3.09Å; R197-S200 VanDerWaalsContact O-N 3.07Å; R197-S200 PolarHBondContact O-OG 3.2Å
201	G	76.2	Confident	81.8	Confident	44 Å²	44	77 Å²	77	45%	0.454	38%	0.378	S	S	.	.			trans	95.1	-152.8	175.6	0	0	0	0	0	114.4	P187 D199	P187-G201 WeakPolarHBondContact CD-O 3.41Å; P187-G201 VanDerWaalsContact CG-C 3.42Å; P187-G201 VanDerWaalsContact CG-O 3.31Å; P187-G201 WeakPolarHBondContact CG-O 3.37Å; D199-G201 PolarHBondContact O-N 3.4Å
202	V	70.1	Confident	82.2	Confident	131 Å²	131	72 Å²	72	79%	0.794	36%	0.36	S	S	*	.			trans	-112.2	131.9	-180	-178.2	0	0	0	0	110	K204	V202-K204 PolarHBondContact O-N 2.93Å
203	P	67.4	Low	82.6	Confident	38 Å²	38	71.9 Å²	71.9	25%	0.247	36%	0.359	C	S	.	.			trans	-68.4	130.7	-174.2	24.6	-33.9	0	0	0	109.8	P187 W205	P187-P203 HydrophobicContact CB-CB 4.48Å; P187-P203 HydrophobicContact CG-CB 4.27Å; P203-W205 PolarHBondContact O-N 2.83Å
204	K	65.1	Low	82.9	Confident	172 Å²	172	69.5 Å²	69.5	75%	0.748	34%	0.343	S	S	*	.	S	Bend	trans	-63.1	-25.2	177.5	-67.5	-175.6	-179.2	178	0	112.4	V202	V202-K204 PolarHBondContact O-N 2.93Å
205	W	64.8	Low	82.9	Confident	174 Å²	174	70.3 Å²	70.3	66%	0.659	35%	0.349	S	S	*	.	S	Bend	trans	-141.8	134.6	-179.7	-59.6	97.5	0	0	0	110.2	P203 R207 R208	P203-W205 PolarHBondContact O-N 2.83Å; W205-R207 PolarHBondContact O-N 3.37Å; W205-R207 VanDerWaalsContact O-N 3.08Å; W205-R208 HydrophobicContact CB-CG 4.36Å; W205-R208 PolarHBondContact O-N 2.99Å
206	K	60.4	Low	83	Confident	211 Å²	211	72.8 Å²	72.8	92%	0.917	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-54.2	-31.2	179.2	-74.5	-169	176.8	-173	0	113.8	R208 G209	K206-R208 PolarHBondContact O-N 3.47Å; K206-G209 PolarHBondContact O-N 2.78Å
207	R	61.1	Low	83	Confident	250 Å²	250	74 Å²	74	94%	0.943	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-70.6	-1.9	176.8	-67.9	-173.5	179.1	179.6	-0.9	114.5	W205	W205-R207 PolarHBondContact O-N 3.37Å; W205-R207 VanDerWaalsContact O-N 3.08Å
208	R	73.4	Confident	83.1	Confident	123 Å²	123	76.7 Å²	76.7	46%	0.464	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-114.2	12.4	177.5	-58.8	-167.3	-179.8	-179.4	-7.1	112.9	A188 D189 W205 K206	A188-R208 WeakPolarHBondContact CB-O 3.49Å; A188-R208 PolarHBondContact N-O 3.1Å; D189-R208 VanDerWaalsContact CG-CD 3.45Å; D189-R208 WeakPolarHBondContact OD2-CD 3.23Å; D189-R208 IonicContact OD2-CZ 2.64Å; D189-R208 IonicContact OD2-NE 3.98Å; D189-R208 IonicContact OD2-NH1 2.82Å; D189-R208 PolarHBondContact OD2-NH1 3.2Å; W205-R208 HydrophobicContact CB-CG 4.36Å; W205-R208 PolarHBondContact O-N 2.99Å; K206-R208 PolarHBondContact O-N 3.47Å
209	G	89.1	Confident	83.6	Confident	23 Å²	23	73.2 Å²	73.2	24%	0.237	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-73.8	145.8	172.3	0	0	0	0	0	111.3	S186 K206	S186-G209 CarbonylContact O-C 3.6Å; S186-G209 WeakPolarHBondContact O-CA 3.46Å; K206-G209 PolarHBondContact O-N 2.78Å
210	A	94.4	Very high	84.3	Confident	5 Å²	5	69.6 Å²	69.6	4%	0.041	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-62.5	132.7	177.4	0	0	0	0	0	111.2	Y182 G185 S186 C196 T215	Y182-A210 HydrophobicContact CE1-CB 4.41Å; G185-A210 PolarHBondContact N-O 2.79Å; S186-A210 WeakPolarHBondContact O-CB 3.39Å; S186-A210 PolarHBondContact O-N 3.25Å; C196-A210 HydrophobicContact CB-CB 3.63Å; C196-A210 VanDerWaalsContact SG-CB 3.58Å; A210-T215 VanDerWaalsContact CA-OG1 3.24Å; A210-T215 WeakPolarHBondContact CA-OG1 3.19Å
211	G	94.8	Very high	85.1	Confident	17 Å²	17	69 Å²	69	18%	0.175	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.7	163.7	174.8	0	0	0	0	0	112.3	Y182 T215	Y182-G211 VanDerWaalsContact CE1-O 3.28Å; Y182-G211 WeakPolarHBondContact CE1-O 3.45Å; Y182-G211 PolarHBondContact OH-O 3.4Å; G211-T215 PolarHBondContact N-OG1 2.92Å
212	Y	96.1	Very high	86.2	Confident	94 Å²	94	67 Å²	67	37%	0.369	31%	0.305	S	S	.	.	S	Bend	trans	-69.1	-42.2	-179.6	-177.9	-99.7	0	0	0	112	T184 R224 N495 P503	T184-Y212 HydrophobicContact CG2-CD2 4.5Å; Y212-R224 VanDerWaalsContact CE1-CD 3.4Å; Y212-R224 VanDerWaalsContact O-CZ 3.26Å; Y212-R224 PolarHBondContact O-NE 3.32Å; Y212-R224 PolarHBondContact O-NH2 2.93Å; Y212-R224 WeakPolarHBondContact OH-CD 3.22Å; Y212-N495 PolarHBondContact N-OD1 3.34Å; Y212-P503 HydrophobicContact CD1-CB 4.15Å; Y212-P503 HydrophobicContact CD1-CG 4.03Å; Y212-P503 HydrophobicContact CD2-CG 4.31Å; Y212-P503 HydrophobicContact CG-CB 4.12Å; Y212-P503 HydrophobicContact CG-CG 3.76Å
213	W	97.6	Very high	87.5	Confident	14 Å²	14	63.2 Å²	63.2	5%	0.053	28%	0.28	C	S	.	.	S	Bend	trans	-89.8	-5.6	-176.5	-65.2	109.8	0	0	0	114.3	R224 T225 N228 L489 L491 A494 N495 E504 P507	W213-R224 HydrophobicContact CE3-CG 4.39Å; W213-R224 HydrophobicContact CZ3-CB 4.31Å; W213-R224 HydrophobicContact CZ3-CG 4.28Å; W213-T225 VanDerWaalsContact C-OG1 3.28Å; W213-T225 WeakPolarHBondContact CA-OG1 3.42Å; W213-T225 WeakPolarHBondContact O-CB 2.92Å; W213-T225 VanDerWaalsContact O-CG2 3.3Å; W213-T225 WeakPolarHBondContact O-CG2 3.5Å; W213-T225 PolarHBondContact O-OG1 3.26Å; W213-N228 HydrophobicContact CZ3-CB 3.95Å; W213-L489 HydrophobicContact CB-CD2 4.33Å; W213-L491 HydrophobicContact CB-CD2 4.01Å; W213-A494 HydrophobicContact CB-CB 4.41Å; W213-A494 VanDerWaalsContact CD1-O 3.23Å; W213-A494 HydrophobicContact CG-CB 4.18Å; W213-A494 PolarHBondContact NE1-O 3.37Å; W213-N495 PolarHBondContact N-OD1 3.16Å; W213-E504 VanDerWaalsContact CZ2-O 3.3Å; W213-E504 WeakPolarHBondContact CZ2-O 3.31Å; W213-E504 PolarHBondContact NE1-O 2.89Å; W213-P507 HydrophobicContact CD2-CG 3.91Å; W213-P507 HydrophobicContact CE3-CG 4.3Å; W213-P507 HydrophobicContact CG-CG 4.45Å; W213-P507 HydrophobicContact CH2-CG 4.12Å; W213-P507 HydrophobicContact CZ2-CG 3.71Å; W213-P507 HydrophobicContact CZ3-CG 4.4Å
214	G	97.6	Very high	89	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	28%	0.28	C	S	.	.			trans	133.2	170.1	-168.3	0	0	0	0	0	110.4	Y182 N495	Y182-G214 VanDerWaalsContact OH-C 3.31Å; Y182-G214 VanDerWaalsContact OH-CA 3.25Å; Y182-G214 WeakPolarHBondContact OH-CA 3.23Å; Y182-G214 PolarHBondContact OH-N 2.92Å; G214-N495 PolarHBondContact O-ND2 2.92Å
215	T	96.3	Very high	90.6	Very high	18 Å²	18	56.3 Å²	56.3	11%	0.11	24%	0.244	C	C	.	.			trans	-142.3	139.2	-173.8	-53.4	0	0	0	0	111.5	Y182 A188 A210 G211 S217 T457	Y182-T215 PolarHBondContact OH-OG1 3.41Å; A188-T215 HydrophobicContact CB-CG2 3.65Å; A210-T215 VanDerWaalsContact CA-OG1 3.24Å; A210-T215 WeakPolarHBondContact CA-OG1 3.19Å; G211-T215 PolarHBondContact N-OG1 2.92Å; T215-S217 VanDerWaalsContact C-N 3.26Å; T215-S217 PolarHBondContact O-N 2.91Å; T215-T457 WeakPolarHBondContact O-CB 3.05Å
216	Y	96.6	Very high	92.2	Very high	52 Å²	52	48.2 Å²	48.2	20%	0.204	21%	0.214	C	C	.	.	S	Bend	trans	-69.9	80.5	169.6	-60	-55.1	0	0	0	111.1	N460 N462 N490 L491 T492 H554	Y216-N460 WeakPolarHBondContact CB-OD1 3.39Å; Y216-N462 WeakPolarHBondContact CE1-OD1 3.47Å; Y216-N462 PolarHBondContact OH-OD1 3.37Å; Y216-N490 PolarHBondContact OH-OD1 3.1Å; Y216-L491 HydrophobicContact CD1-CD1 4.03Å; Y216-L491 HydrophobicContact CE1-CB 4.01Å; Y216-L491 HydrophobicContact CE1-CD1 3.97Å; Y216-L491 HydrophobicContact CE1-CG 4.3Å; Y216-L491 HydrophobicContact CE2-CB 3.93Å; Y216-L491 PolarHBondContact OH-N 3.32Å; Y216-T492 WeakPolarHBondContact CE2-OG1 3.45Å; Y216-H554 AromaticContact CD1-CE1 3.68Å; Y216-H554 AromaticContact CD1-CG 3.88Å; Y216-H554 AromaticContact CD1-ND1 3.67Å; Y216-H554 AromaticContact CD1-NE2 3.92Å; Y216-H554 AromaticContact CD2-CE1 3.98Å; Y216-H554 AromaticContact CD2-NE2 3.62Å; Y216-H554 HydrophobicContact CE1-CB 4.07Å; Y216-H554 AromaticContact CE1-CD2 3.64Å; Y216-H554 AromaticContact CE1-CG 3.6Å; Y216-H554 AromaticContact CE1-ND1 3.9Å; Y216-H554 AromaticContact CE1-NE2 3.98Å; Y216-H554 AromaticContact CE2-CD2 3.79Å; Y216-H554 AromaticContact CE2-NE2 3.68Å; Y216-H554 AromaticContact CG-CE1 3.6Å; Y216-H554 AromaticContact CG-NE2 3.72Å; Y216-H554 AromaticContact CZ-CD2 3.48Å; Y216-H554 VanDerWaalsContact CZ-CD2 3.48Å; Y216-H554 AromaticContact CZ-CG 3.94Å; Y216-H554 AromaticContact CZ-NE2 3.83Å
217	S	95.8	Very high	94	Very high	25 Å²	25	41 Å²	41	18%	0.175	18%	0.184	C	C	.	.	S	Bend	trans	-163.9	-167	175.7	-165.5	0	0	0	0	109.8	A188 T215 C219 N460	A188-S217 WeakPolarHBondContact O-CB 3.5Å; A188-S217 PolarHBondContact O-OG 2.94Å; T215-S217 VanDerWaalsContact C-N 3.26Å; T215-S217 PolarHBondContact O-N 2.91Å; S217-C219 PolarHBondContact O-N 3.16Å; S217-N460 PolarHBondContact O-N 2.77Å; S217-N460 VanDerWaalsContact O-N 3.15Å
218	K	95.8	Very high	95.8	Very high	57 Å²	57	29.9 Å²	29.9	25%	0.248	14%	0.143	C	C	.	.	S	Bend	trans	-75.1	65.1	166.2	48.7	171	172.3	169.4	0	110.7	C190 E192 C195 Y458 V459	C190-K218 VanDerWaalsContact O-CE 3.23Å; C190-K218 WeakPolarHBondContact O-CE 3.33Å; C190-K218 PolarHBondContact O-NZ 3.24Å; E192-K218 WeakPolarHBondContact O-CE 3.45Å; E192-K218 PolarHBondContact O-NZ 2.91Å; C195-K218 PolarHBondContact N-O 3.35Å; C195-K218 WeakPolarHBondContact SG-CE 3.4Å; K218-Y458 HydrophobicContact CB-CD2 4.37Å; K218-Y458 HydrophobicContact CB-CE2 3.79Å; K218-V459 HydrophobicContact CB-CG1 4.28Å; K218-V459 HydrophobicContact CB-CG2 4.46Å
219	C	97.9	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.			trans	-133.7	149.9	179.9	-60.6	0	0	0	0	110	Y182 C196 S217 T457 Y458	Y182-C219 HydrophobicContact CE2-CB 4.38Å; C196-C219 HydrophobicContact CB-CB 3.59Å; C196-C219 WeakPolarHBondContact CB-SG 3.48Å; C196-C219 WeakPolarHBondContact SG-CB 3.32Å; C196-C219 CovalentContact SG-SG 2.02Å; C196-C219 PolarHBondContact SG-SG 3.04Å; S217-C219 PolarHBondContact O-N 3.16Å; C219-T457 PolarHBondContact O-OG1 2.95Å; C219-Y458 PolarHBondContact O-N 2.7Å
220	D	98.7	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.			trans	-102.7	-175.5	175.6	-84.5	-38.7	0	0	0	111.1	H177 D179 Y182 L194 A250 H251 T456 Y458	H177-D220 HydrophobicContact CB-CB 4.26Å; H177-D220 WeakPolarHBondContact CB-OD1 3.32Å; H177-D220 IonicContact CG-OD1 3.5Å; H177-D220 WeakPolarHBondContact O-CB 3.28Å; D179-D220 HydrophobicContact CB-CB 3.82Å; Y182-D220 WeakPolarHBondContact CD2-O 3.07Å; Y182-D220 VanDerWaalsContact CE2-O 3.25Å; Y182-D220 WeakPolarHBondContact CE2-O 3.44Å; L194-D220 HydrophobicContact CD1-CB 4.08Å; L194-D220 WeakPolarHBondContact CD1-OD2 3.17Å; D220-A250 HydrophobicContact CB-CB 4.11Å; D220-A250 WeakPolarHBondContact OD2-CA 3.44Å; D220-A250 WeakPolarHBondContact OD2-CB 3.2Å; D220-H251 IonicContact OD1-CE1 3.62Å; D220-H251 IonicContact OD1-ND1 3.84Å; D220-H251 PolarHBondContact OD1-ND1 3.31Å; D220-H251 IonicContact OD2-CE1 3.77Å; D220-H251 IonicContact OD2-CG 2.83Å; D220-H251 PolarHBondContact OD2-N 3.02Å; D220-H251 IonicContact OD2-ND1 3.87Å; D220-H251 PolarHBondContact OD2-ND1 3.03Å; D220-T456 PolarHBondContact OD1-OG1 3.44Å; D220-Y458 WeakPolarHBondContact OD1-CB 3.26Å
221	L	98.7	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-92.6	139.7	-171.4	-62.6	-175.8	0	0	0	113.5	H177 D179 T225 V226 A455 T457 P463	H177-L221 PolarHBondContact O-N 3.33Å; D179-L221 PolarHBondContact N-O 2.86Å; L221-T225 HydrophobicContact CD1-CG2 4.35Å; L221-T225 HydrophobicContact CD2-CG2 4.14Å; L221-V226 HydrophobicContact CB-CG2 4.18Å; L221-V226 HydrophobicContact CD1-CG2 4.22Å; L221-A455 WeakPolarHBondContact CD1-O 3.49Å; L221-T457 HydrophobicContact CD2-CG2 3.89Å; L221-P463 HydrophobicContact CD2-CG 4.06Å
222	P	98.5	Very high	97.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.019	13%	0.126	C	C	.	.			trans	-72.5	153	161.9	30.8	-32	0	0	0	111.1	Y182 R224 T225	Y182-P222 HydrophobicContact CD1-CB 3.6Å; Y182-P222 HydrophobicContact CD1-CG 3.72Å; Y182-P222 HydrophobicContact CE1-CB 4.32Å; Y182-P222 HydrophobicContact CE1-CG 3.93Å; Y182-P222 HydrophobicContact CG-CB 3.82Å; Y182-P222 HydrophobicContact CG-CG 4.08Å; P222-R224 HydrophobicContact CB-CG 4.05Å; P222-R224 HydrophobicContact CG-CG 3.97Å; P222-R224 PolarHBondContact O-N 3.01Å; P222-R224 VanDerWaalsContact O-N 3.09Å; P222-T225 WeakPolarHBondContact CG-OG1 3.42Å; P222-T225 PolarHBondContact O-N 2.7Å
223	L	98.6	Very high	97.8	Very high	51 Å²	51	22.8 Å²	22.8	27%	0.267	11%	0.108	S	C	.	.	H	α-helix	trans	-53.5	-37.8	-176.8	-168.5	59.3	0	0	0	113.6	W178 T225 V226 E227 V267 I268 L271	W178-L223 HydrophobicContact CD2-CD1 3.8Å; W178-L223 HydrophobicContact CE3-CD1 4.28Å; W178-L223 HydrophobicContact CG-CD1 4.09Å; W178-L223 HydrophobicContact CH2-CD2 4.49Å; W178-L223 HydrophobicContact CZ2-CB 4.29Å; W178-L223 HydrophobicContact CZ2-CD1 4.1Å; W178-L223 HydrophobicContact CZ2-CD2 4Å; W178-L223 HydrophobicContact CZ2-CG 4.37Å; L223-T225 PolarHBondContact O-N 2.91Å; L223-V226 WeakPolarHBondContact O-CB 3.34Å; L223-V226 PolarHBondContact O-N 3Å; L223-V226 VanDerWaalsContact O-N 3.08Å; L223-E227 HydrophobicContact CG-CG 4.45Å; L223-E227 PolarHBondContact O-N 3.4Å; L223-V267 HydrophobicContact CD1-CG1 4.24Å; L223-I268 HydrophobicContact CD1-CD1 4.07Å; L223-L271 HydrophobicContact CD1-CD1 3.52Å; L223-L271 HydrophobicContact CG-CD1 4.23Å
224	R	98.1	Very high	97.7	Very high	66 Å²	66	24 Å²	24	25%	0.249	12%	0.121	C	C	.	.	H	α-helix	trans	-57.6	-34.8	178.3	59.6	-174.1	165	-91.5	-4.8	113.3	T184 Y212 W213 P222 N228	T184-R224 PolarHBondContact OG1-NH2 2.85Å; T184-R224 VanDerWaalsContact OG1-NH2 3.11Å; Y212-R224 VanDerWaalsContact CE1-CD 3.4Å; Y212-R224 VanDerWaalsContact O-CZ 3.26Å; Y212-R224 PolarHBondContact O-NE 3.32Å; Y212-R224 PolarHBondContact O-NH2 2.93Å; Y212-R224 WeakPolarHBondContact OH-CD 3.22Å; W213-R224 HydrophobicContact CE3-CG 4.39Å; W213-R224 HydrophobicContact CZ3-CB 4.31Å; W213-R224 HydrophobicContact CZ3-CG 4.28Å; P222-R224 HydrophobicContact CB-CG 4.05Å; P222-R224 HydrophobicContact CG-CG 3.97Å; P222-R224 PolarHBondContact O-N 3.01Å; P222-R224 VanDerWaalsContact O-N 3.09Å; R224-N228 VanDerWaalsContact O-CB 3.28Å; R224-N228 WeakPolarHBondContact O-CB 3.38Å; R224-N228 PolarHBondContact O-N 2.73Å
225	T	98.7	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.3	-38.8	177.1	-51.8	0	0	0	0	110.5	W213 L221 P222 L223 N228 L229 P463 L489	W213-T225 VanDerWaalsContact C-OG1 3.28Å; W213-T225 WeakPolarHBondContact CA-OG1 3.42Å; W213-T225 WeakPolarHBondContact O-CB 2.92Å; W213-T225 VanDerWaalsContact O-CG2 3.3Å; W213-T225 WeakPolarHBondContact O-CG2 3.5Å; W213-T225 PolarHBondContact O-OG1 3.26Å; L221-T225 HydrophobicContact CD1-CG2 4.35Å; L221-T225 HydrophobicContact CD2-CG2 4.14Å; P222-T225 WeakPolarHBondContact CG-OG1 3.42Å; P222-T225 PolarHBondContact O-N 2.7Å; L223-T225 PolarHBondContact O-N 2.91Å; T225-N228 PolarHBondContact O-N 3.12Å; T225-L229 WeakPolarHBondContact O-CB 3.32Å; T225-L229 PolarHBondContact O-N 3.28Å; T225-P463 HydrophobicContact CG2-CG 4.38Å; T225-L489 HydrophobicContact CG2-CD2 4.07Å
226	V	98.8	Very high	97.5	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-46.1	174.2	-176.4	0	0	0	0	110.7	I176 W178 L221 L223 N228 L229 L230 I268	I176-V226 HydrophobicContact CG2-CB 4.42Å; I176-V226 HydrophobicContact CG2-CG1 3.76Å; I176-V226 HydrophobicContact CG2-CG2 3.73Å; W178-V226 HydrophobicContact CB-CG2 4.45Å; L221-V226 HydrophobicContact CB-CG2 4.18Å; L221-V226 HydrophobicContact CD1-CG2 4.22Å; L223-V226 WeakPolarHBondContact O-CB 3.34Å; L223-V226 PolarHBondContact O-N 3Å; L223-V226 VanDerWaalsContact O-N 3.08Å; V226-N228 PolarHBondContact O-N 3.25Å; V226-L229 WeakPolarHBondContact O-CB 3.35Å; V226-L229 PolarHBondContact O-N 2.98Å; V226-L230 HydrophobicContact CG1-CD1 4.23Å; V226-L230 WeakPolarHBondContact O-CG 3.38Å; V226-L230 PolarHBondContact O-N 2.94Å; V226-I268 HydrophobicContact CG1-CD1 3.9Å
227	E	98.6	Very high	97.3	Very high	60 Å²	60	29.8 Å²	29.8	28%	0.28	16%	0.156	S	C	.	.	H	α-helix	trans	-61	-43.3	175.3	-72.4	-167.9	136	0	0	111.9	L223 L230 E231 L271 K274 Y275	L223-E227 HydrophobicContact CG-CG 4.45Å; L223-E227 PolarHBondContact O-N 3.4Å; E227-L230 PolarHBondContact O-N 2.88Å; E227-E231 WeakPolarHBondContact O-CB 3.32Å; E227-E231 PolarHBondContact O-N 2.81Å; E227-L271 HydrophobicContact CG-CD1 3.88Å; E227-L271 HydrophobicContact CG-CD2 4.06Å; E227-L271 WeakPolarHBondContact OE1-CD2 3.43Å; E227-K274 IonicContact OE1-NZ 3.58Å; E227-Y275 HydrophobicContact CB-CE2 4.16Å; E227-Y275 HydrophobicContact CG-CE2 4.16Å
228	N	98.4	Very high	97.3	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-37.8	178.4	-174.8	-99	0	0	0	112.6	W213 R224 T225 V226 N232 W509	W213-N228 HydrophobicContact CZ3-CB 3.95Å; R224-N228 VanDerWaalsContact O-CB 3.28Å; R224-N228 WeakPolarHBondContact O-CB 3.38Å; R224-N228 PolarHBondContact O-N 2.73Å; T225-N228 PolarHBondContact O-N 3.12Å; V226-N228 PolarHBondContact O-N 3.25Å; N228-N232 WeakPolarHBondContact O-CB 3.46Å; N228-N232 PolarHBondContact O-N 2.96Å; N228-W509 PolarHBondContact OD1-NE1 3.49Å
229	L	98.6	Very high	97.4	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-52.9	170.9	-175.3	164.2	0	0	0	110.3	L173 T225 V226 E231 N232 A233 A455 Y465 W509	L173-L229 HydrophobicContact CD2-CD2 3.84Å; T225-L229 WeakPolarHBondContact O-CB 3.32Å; T225-L229 PolarHBondContact O-N 3.28Å; V226-L229 WeakPolarHBondContact O-CB 3.35Å; V226-L229 PolarHBondContact O-N 2.98Å; L229-E231 VanDerWaalsContact C-N 3.33Å; L229-E231 PolarHBondContact O-N 3.06Å; L229-N232 WeakPolarHBondContact O-CB 3.49Å; L229-N232 PolarHBondContact O-N 2.89Å; L229-N232 VanDerWaalsContact O-N 3.13Å; L229-A233 WeakPolarHBondContact O-CB 3.33Å; L229-A233 PolarHBondContact O-N 2.83Å; L229-A455 HydrophobicContact CD1-CB 3.67Å; L229-Y465 HydrophobicContact CD1-CD1 4.48Å; L229-Y465 HydrophobicContact CD2-CD1 4.18Å; L229-Y465 HydrophobicContact CG-CD1 3.98Å; L229-W509 HydrophobicContact CB-CH2 3.75Å; L229-W509 HydrophobicContact CB-CZ2 3.49Å; L229-W509 VanDerWaalsContact CB-CZ2 3.49Å; L229-W509 HydrophobicContact CD1-CH2 3.63Å; L229-W509 HydrophobicContact CD1-CZ2 4.28Å; L229-W509 HydrophobicContact CD1-CZ3 4.17Å; L229-W509 HydrophobicContact CG-CH2 3.67Å; L229-W509 HydrophobicContact CG-CZ2 3.92Å; L229-W509 HydrophobicContact CG-CZ3 4.17Å
230	L	98.6	Very high	97.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-37.7	-177.5	-68.5	173.1	0	0	0	112.1	L173 V226 E227 N232 A233 A234 L271 I272 Y275	L173-L230 HydrophobicContact CD1-CD2 3.92Å; V226-L230 HydrophobicContact CG1-CD1 4.23Å; V226-L230 WeakPolarHBondContact O-CG 3.38Å; V226-L230 PolarHBondContact O-N 2.94Å; E227-L230 PolarHBondContact O-N 2.88Å; L230-N232 VanDerWaalsContact C-N 3.35Å; L230-A233 PolarHBondContact O-N 3.48Å; L230-A234 WeakPolarHBondContact O-CB 3.36Å; L230-A234 PolarHBondContact O-N 2.97Å; L230-L271 HydrophobicContact CD1-CB 3.75Å; L230-I272 HydrophobicContact CD1-CG1 4.11Å; L230-I272 HydrophobicContact CD2-CG1 3.85Å; L230-Y275 HydrophobicContact CB-CD2 3.71Å; L230-Y275 HydrophobicContact CB-CE2 4.48Å; L230-Y275 HydrophobicContact CB-CG 3.83Å; L230-Y275 HydrophobicContact CD1-CD2 4.15Å
231	E	97.5	Very high	97.4	Very high	68 Å²	68	35.7 Å²	35.7	32%	0.318	19%	0.193	S	C	.	.	H	α-helix	trans	-62.4	-43	172.9	-169.5	-171.4	169.6	0	0	111.5	E227 L229 A234 K235 Y275	E227-E231 WeakPolarHBondContact O-CB 3.32Å; E227-E231 PolarHBondContact O-N 2.81Å; L229-E231 VanDerWaalsContact C-N 3.33Å; L229-E231 PolarHBondContact O-N 3.06Å; E231-A234 PolarHBondContact O-N 2.8Å; E231-K235 WeakPolarHBondContact O-CG 3.4Å; E231-K235 PolarHBondContact O-N 2.85Å; E231-K235 WeakPolarHBondContact OE1-CE 3.42Å; E231-K235 IonicContact OE1-NZ 3.8Å; E231-K235 PolarHBondContact OE1-NZ 2.85Å; E231-Y275 HydrophobicContact CB-CD1 3.94Å; E231-Y275 HydrophobicContact CB-CE1 3.71Å; E231-Y275 HydrophobicContact CG-CD1 4.37Å; E231-Y275 HydrophobicContact CG-CE1 4.08Å
232	N	97.3	Very high	97.4	Very high	37 Å²	37	35.7 Å²	35.7	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-45.3	177.5	-172.8	-92.8	0	0	0	112	N228 L229 L230 A234 K235 A236 Y465 W509	N228-N232 WeakPolarHBondContact O-CB 3.46Å; N228-N232 PolarHBondContact O-N 2.96Å; L229-N232 WeakPolarHBondContact O-CB 3.49Å; L229-N232 PolarHBondContact O-N 2.89Å; L229-N232 VanDerWaalsContact O-N 3.13Å; L230-N232 VanDerWaalsContact C-N 3.35Å; N232-A234 VanDerWaalsContact C-N 3.32Å; N232-A234 PolarHBondContact O-N 2.86Å; N232-K235 WeakPolarHBondContact O-CB 3.32Å; N232-K235 PolarHBondContact O-N 2.99Å; N232-K235 VanDerWaalsContact O-N 3.11Å; N232-A236 PolarHBondContact O-N 2.97Å; N232-Y465 PolarHBondContact OD1-OH 2.98Å; N232-W509 HydrophobicContact CB-CB 4.32Å; N232-W509 HydrophobicContact CB-CG 3.86Å; N232-W509 VanDerWaalsContact CG-CB 3.43Å; N232-W509 VanDerWaalsContact OD1-CB 3.27Å; N232-W509 WeakPolarHBondContact OD1-CB 3.45Å
233	A	97.1	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-40.5	175.8	0	0	0	0	0	111.3	L171 L229 L230 K235 A236 G237 W239	L171-A233 HydrophobicContact CD1-CB 4.24Å; L171-A233 HydrophobicContact CD2-CB 3.94Å; L229-A233 WeakPolarHBondContact O-CB 3.33Å; L229-A233 PolarHBondContact O-N 2.83Å; L230-A233 PolarHBondContact O-N 3.48Å; A233-K235 VanDerWaalsContact C-N 3.27Å; A233-K235 PolarHBondContact O-N 3.36Å; A233-A236 PolarHBondContact O-N 2.95Å; A233-A236 VanDerWaalsContact O-N 3.16Å; A233-G237 PolarHBondContact O-N 2.77Å; A233-W239 VanDerWaalsContact O-CE2 3.26Å; A233-W239 WeakPolarHBondContact O-CZ2 3.24Å; A233-W239 PolarHBondContact O-NE1 2.88Å
234	A	96.8	Very high	97.4	Very high	40 Å²	40	33.2 Å²	33.2	33%	0.331	18%	0.18	S	C	.	.	H	α-helix	trans	-58.9	-39.4	174	0	0	0	0	0	112.3	L230 E231 N232 Y275 L276	L230-A234 WeakPolarHBondContact O-CB 3.36Å; L230-A234 PolarHBondContact O-N 2.97Å; E231-A234 PolarHBondContact O-N 2.8Å; N232-A234 VanDerWaalsContact C-N 3.32Å; N232-A234 PolarHBondContact O-N 2.86Å; A234-Y275 WeakPolarHBondContact CB-O 3.48Å; A234-L276 HydrophobicContact CB-CD2 4.35Å
235	K	95.4	Very high	97.5	Very high	145 Å²	145	30 Å²	30	63%	0.63	17%	0.168	S	C	*	.	H	α-helix	trans	-70.6	-30.3	176.3	-68.4	168.7	-173.7	167.4	0	113.3	E231 N232 A233 G237	E231-K235 WeakPolarHBondContact O-CG 3.4Å; E231-K235 PolarHBondContact O-N 2.85Å; E231-K235 WeakPolarHBondContact OE1-CE 3.42Å; E231-K235 IonicContact OE1-NZ 3.8Å; E231-K235 PolarHBondContact OE1-NZ 2.85Å; N232-K235 WeakPolarHBondContact O-CB 3.32Å; N232-K235 PolarHBondContact O-N 2.99Å; N232-K235 VanDerWaalsContact O-N 3.11Å; A233-K235 VanDerWaalsContact C-N 3.27Å; A233-K235 PolarHBondContact O-N 3.36Å; K235-G237 VanDerWaalsContact C-N 3.3Å
236	A	94	Very high	97.5	Very high	24 Å²	24	30.2 Å²	30.2	20%	0.198	17%	0.17	C	C	.	.	H	α-helix	trans	-78.5	-11.2	-179.6	0	0	0	0	0	114.1	R169 N232 A233 W239	R169-A236 PolarHBondContact NH1-O 2.99Å; R169-A236 PolarHBondContact NH2-O 2.87Å; N232-A236 PolarHBondContact O-N 2.97Å; A233-A236 PolarHBondContact O-N 2.95Å; A233-A236 VanDerWaalsContact O-N 3.16Å; A236-W239 HydrophobicContact CB-CH2 3.85Å; A236-W239 HydrophobicContact CB-CZ2 3.81Å; A236-W239 WeakPolarHBondContact O-CH2 3.17Å
237	G	91.3	Very high	97.5	Very high	21 Å²	21	30.1 Å²	30.1	22%	0.216	17%	0.169	C	C	.	.			trans	-63.4	-167.4	175.3	0	0	0	0	0	114.2	R169 A233 K235	R169-G237 PolarHBondContact NH1-O 2.93Å; A233-G237 PolarHBondContact O-N 2.77Å; K235-G237 VanDerWaalsContact C-N 3.3Å
238	P	95.8	Very high	97.5	Very high	113 Å²	113	27.3 Å²	27.3	73%	0.734	16%	0.156	S	C	*	.			cis	-70.2	157.9	5.4	30.6	-36.7	0	0	0	113.2
239	W	97.9	Very high	97.5	Very high	20 Å²	20	26.6 Å²	26.6	8%	0.076	15%	0.152	C	C	.	.			trans	-113.4	135	178	-50.3	124.2	0	0	0	110.1	R169 L171 A233 A236 V280 I467	R169-W239 HydrophobicContact CB-CE3 4.26Å; R169-W239 HydrophobicContact CB-CZ3 4.45Å; L171-W239 HydrophobicContact CB-CD2 3.9Å; L171-W239 HydrophobicContact CB-CE3 4.21Å; L171-W239 HydrophobicContact CB-CG 4.17Å; L171-W239 HydrophobicContact CB-CZ2 4.45Å; L171-W239 HydrophobicContact CD1-CZ2 4.18Å; A233-W239 VanDerWaalsContact O-CE2 3.26Å; A233-W239 WeakPolarHBondContact O-CZ2 3.24Å; A233-W239 PolarHBondContact O-NE1 2.88Å; A236-W239 HydrophobicContact CB-CH2 3.85Å; A236-W239 HydrophobicContact CB-CZ2 3.81Å; A236-W239 WeakPolarHBondContact O-CH2 3.17Å; W239-V280 HydrophobicContact CB-CG1 4.09Å; W239-I467 HydrophobicContact CH2-CD1 3.49Å; W239-I467 VanDerWaalsContact CH2-CD1 3.49Å; W239-I467 HydrophobicContact CH2-CG1 3.81Å; W239-I467 HydrophobicContact CZ3-CD1 3.91Å; W239-I467 HydrophobicContact CZ3-CG1 4.03Å; W239-I467 HydrophobicContact CZ3-CG2 3.88Å
240	D	98.1	Very high	97.5	Very high	72 Å²	72	26.3 Å²	26.3	39%	0.385	15%	0.151	S	C	.	.	S	Bend	trans	-71	-39.5	171.3	-68.5	-95.4	0	0	0	110.6	S168 R169	S168-D240 WeakPolarHBondContact CA-OD2 3.31Å; R169-D240 PolarHBondContact N-OD2 3.2Å; R169-D240 PolarHBondContact O-N 3.11Å
241	W	98.8	Very high	97.5	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	176.9	170.5	63.1	88.9	0	0	0	110.4	V170 L171 Y243 T281 Y283 I341 L345	V170-W241 HydrophobicContact CG1-CG 4.42Å; V170-W241 VanDerWaalsContact CG1-NE1 3.25Å; V170-W241 HydrophobicContact CG2-CD2 4.05Å; V170-W241 HydrophobicContact CG2-CH2 3.91Å; V170-W241 HydrophobicContact CG2-CZ2 3.25Å; L171-W241 PolarHBondContact N-O 3.31Å; W241-Y243 AromaticContact CD1-CD1 3.74Å; W241-Y243 AromaticContact CD1-CE1 3.34Å; W241-Y243 AromaticContact CD1-CZ 3.76Å; W241-Y243 AromaticContact NE1-CD1 3.89Å; W241-Y243 AromaticContact NE1-CE1 3.18Å; W241-Y243 AromaticContact NE1-CE2 3.71Å; W241-Y243 AromaticContact NE1-CZ 3.05Å; W241-Y243 PolarHBondContact NE1-OH 3.28Å; W241-T281 WeakPolarHBondContact CA-O 3.46Å; W241-Y283 HydrophobicContact CB-CD2 4.19Å; W241-Y283 HydrophobicContact CB-CE2 3.64Å; W241-Y283 AromaticContact CD1-CD2 3.85Å; W241-Y283 AromaticContact CD1-CE2 3.91Å; W241-Y283 HydrophobicContact CG-CD2 4.21Å; W241-Y283 AromaticContact CG-CE2 3.82Å; W241-Y283 HydrophobicContact CG-CE2 3.82Å; W241-I341 HydrophobicContact CD2-CD1 4.45Å; W241-I341 HydrophobicContact CD2-CG2 3.83Å; W241-I341 HydrophobicContact CE3-CG2 3.73Å; W241-I341 HydrophobicContact CG-CG2 4.24Å; W241-I341 HydrophobicContact CZ2-CD1 4.47Å; W241-I341 HydrophobicContact CZ3-CG2 4.24Å; W241-L345 HydrophobicContact CH2-CD2 3.91Å; W241-L345 HydrophobicContact CZ2-CD2 4.03Å
242	V	98.9	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.5	180	-177.8	0	0	0	0	109.6	L171 L173 L276 V280 T281 V282 Y283	L171-V242 HydrophobicContact CB-CB 4.49Å; L171-V242 HydrophobicContact CB-CG1 4.23Å; L171-V242 HydrophobicContact CB-CG2 4.07Å; L171-V242 HydrophobicContact CD2-CG1 4.19Å; L171-V242 HydrophobicContact CD2-CG2 4.2Å; L171-V242 HydrophobicContact CG-CG1 4.23Å; L171-V242 CarbonylContact O-C 3.58Å; L171-V242 VanDerWaalsContact O-CA 3.32Å; L171-V242 WeakPolarHBondContact O-CA 3.49Å; L173-V242 HydrophobicContact CD1-CG1 4.25Å; L173-V242 HydrophobicContact CG-CG1 4.35Å; V242-L276 HydrophobicContact CB-CD1 4.5Å; V242-L276 HydrophobicContact CG1-CD1 4.36Å; V242-L276 HydrophobicContact CG2-CD1 3.56Å; V242-V280 HydrophobicContact CG2-CG1 3.49Å; V242-V280 VanDerWaalsContact CG2-CG1 3.49Å; V242-T281 PolarHBondContact N-O 2.61Å; V242-V282 HydrophobicContact CB-CB 4.29Å; V242-V282 HydrophobicContact CB-CG1 4.11Å; V242-V282 HydrophobicContact CB-CG2 4.02Å; V242-V282 HydrophobicContact CG1-CG1 4.06Å; V242-V282 HydrophobicContact CG1-CG2 4.5Å; V242-V282 HydrophobicContact CG2-CG2 4.24Å; V242-Y283 PolarHBondContact O-N 3.19Å
243	Y	98.9	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.8	163.2	-64.6	-27.2	0	0	0	109.3	V170 L171 F172 L173 W241 Y283 I341 V347 H391 I393 F424	V170-Y243 HydrophobicContact CG1-CD2 3.82Å; V170-Y243 HydrophobicContact CG1-CE2 3.96Å; V170-Y243 HydrophobicContact CG1-CG 4.16Å; L171-Y243 PolarHBondContact O-N 3.28Å; F172-Y243 WeakPolarHBondContact CA-O 3.22Å; F172-Y243 VanDerWaalsContact CD2-CB 3.49Å; F172-Y243 HydrophobicContact CD2-CD2 4.08Å; F172-Y243 HydrophobicContact CD2-CG 4.3Å; F172-Y243 HydrophobicContact CE2-CD2 4.39Å; L173-Y243 PolarHBondContact N-O 2.77Å; W241-Y243 AromaticContact CD1-CD1 3.74Å; W241-Y243 AromaticContact CD1-CE1 3.34Å; W241-Y243 AromaticContact CD1-CZ 3.76Å; W241-Y243 AromaticContact NE1-CD1 3.89Å; W241-Y243 AromaticContact NE1-CE1 3.18Å; W241-Y243 AromaticContact NE1-CE2 3.71Å; W241-Y243 AromaticContact NE1-CZ 3.05Å; W241-Y243 PolarHBondContact NE1-OH 3.28Å; Y243-Y283 HydrophobicContact CD1-CD2 4.05Å; Y243-Y283 AromaticContact CE1-CD2 3.83Å; Y243-Y283 HydrophobicContact CE1-CD2 3.83Å; Y243-I341 HydrophobicContact CE1-CD1 4.06Å; Y243-I341 VanDerWaalsContact OH-CD1 3.31Å; Y243-I341 WeakPolarHBondContact OH-CD1 3.01Å; Y243-V347 HydrophobicContact CE1-CG2 4.1Å; Y243-H391 AromaticContact CE2-ND1 3.9Å; Y243-H391 AromaticContact CZ-ND1 3.74Å; Y243-H391 PolarHBondContact OH-ND1 2.99Å; Y243-I393 HydrophobicContact CD1-CD1 4.24Å; Y243-I393 HydrophobicContact CD1-CG2 3.94Å; Y243-I393 HydrophobicContact CD2-CG2 3.73Å; Y243-I393 HydrophobicContact CE1-CG2 4.19Å; Y243-I393 HydrophobicContact CE2-CG2 4.01Å; Y243-I393 HydrophobicContact CG-CG2 3.71Å; Y243-F424 HydrophobicContact CD2-CD2 4.05Å; Y243-F424 HydrophobicContact CD2-CE2 4.37Å; Y243-F424 HydrophobicContact CD2-CG 4.18Å; Y243-F424 AromaticContact CE2-CD2 3.77Å; Y243-F424 HydrophobicContact CE2-CD2 3.77Å; Y243-F424 AromaticContact CE2-CE2 3.7Å; Y243-F424 HydrophobicContact CE2-CE2 3.7Å; Y243-F424 HydrophobicContact CE2-CG 4.32Å; Y243-F424 HydrophobicContact CE2-CZ 4.18Å
244	W	98.9	Very high	97.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	98.8	-179	175.3	28.1	0	0	0	111.5	L173 I176 G246 I248 I268 I272 V282 Y283 P284 A285 W319 W322	L173-W244 HydrophobicContact CB-CB 4.47Å; L173-W244 HydrophobicContact CB-CG 4.43Å; L173-W244 CarbonylContact O-C 3.53Å; L173-W244 VanDerWaalsContact O-CA 3.23Å; L173-W244 WeakPolarHBondContact O-CA 3.32Å; I176-W244 HydrophobicContact CD1-CZ2 4.18Å; W244-G246 VanDerWaalsContact C-N 3.34Å; W244-G246 PolarHBondContact O-N 2.74Å; W244-I248 HydrophobicContact CH2-CD1 3.48Å; W244-I248 VanDerWaalsContact CH2-CD1 3.48Å; W244-I248 HydrophobicContact CH2-CG1 4.24Å; W244-I248 HydrophobicContact CZ2-CD1 3.3Å; W244-I248 HydrophobicContact CZ2-CG1 3.53Å; W244-I268 HydrophobicContact CH2-CG2 3.98Å; W244-I268 HydrophobicContact CZ2-CB 4.49Å; W244-I268 HydrophobicContact CZ2-CG2 3.59Å; W244-I272 HydrophobicContact CD2-CD1 3.59Å; W244-I272 HydrophobicContact CE3-CD1 3.61Å; W244-I272 HydrophobicContact CG-CD1 4.28Å; W244-I272 HydrophobicContact CH2-CD1 3.68Å; W244-I272 HydrophobicContact CZ2-CD1 3.63Å; W244-I272 HydrophobicContact CZ3-CD1 3.68Å; W244-V282 HydrophobicContact CB-CG1 3.86Å; W244-V282 HydrophobicContact CE3-CG1 4.28Å; W244-Y283 PolarHBondContact N-O 2.73Å; W244-Y283 VanDerWaalsContact N-O 3.09Å; W244-P284 HydrophobicContact CD2-CB 4.45Å; W244-P284 HydrophobicContact CE3-CB 3.92Å; W244-P284 CarbonylContact O-C 3.41Å; W244-P284 WeakPolarHBondContact O-CA 3.44Å; W244-A285 PolarHBondContact O-N 2.75Å; W244-W319 AromaticContact CZ3-NE1 3.77Å; W244-W322 HydrophobicContact CE3-CZ3 4.31Å; W244-W322 HydrophobicContact CZ3-CH2 4.33Å; W244-W322 HydrophobicContact CZ3-CZ3 4.12Å
245	T	98.9	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.			trans	-94.6	38.1	-165.4	54.1	0	0	0	0	115.4	F172 L173 T174 A285 I393 G394 H395	F172-T245 HydrophobicContact CE1-CG2 4.42Å; F172-T245 HydrophobicContact CE2-CG2 3.8Å; F172-T245 HydrophobicContact CZ-CG2 3.47Å; F172-T245 VanDerWaalsContact CZ-CG2 3.47Å; F172-T245 WeakPolarHBondContact CZ-OG1 3.49Å; L173-T245 PolarHBondContact O-N 2.9Å; T174-T245 VanDerWaalsContact CB-OG1 3.23Å; T174-T245 WeakPolarHBondContact CB-OG1 3.23Å; T174-T245 PolarHBondContact OG1-OG1 2.85Å; T245-A285 CarbonylContact C-O 3.55Å; T245-A285 HydrophobicContact CG2-CB 4.18Å; T245-I393 HydrophobicContact CG2-CB 4.16Å; T245-G394 VanDerWaalsContact CB-O 3.28Å; T245-G394 WeakPolarHBondContact CB-O 3.13Å; T245-G394 VanDerWaalsContact CG2-O 3.23Å; T245-G394 WeakPolarHBondContact CG2-O 3.49Å; T245-H395 WeakPolarHBondContact O-CB 3.26Å; T245-H395 PolarHBondContact O-ND1 2.65Å
246	G	98.3	Very high	97.1	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	11%	0.11	C	C	.	.			trans	84.2	-160.8	167.5	0	0	0	0	0	115.2	D175 W244 A285	D175-G246 PolarHBondContact N-O 2.72Å; W244-G246 VanDerWaalsContact C-N 3.34Å; W244-G246 PolarHBondContact O-N 2.74Å; G246-A285 WeakPolarHBondContact CA-O 3.49Å; G246-A285 PolarHBondContact N-O 2.76Å
247	D	98.6	Very high	97.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.124	C	C	.	.			trans	55.7	70.5	-174.5	-87.8	23.4	0	0	0	113.9	D175 I176 H177 G287 N288 H289 E290 H395	D175-D247 CarbonylContact C-O 3.55Å; I176-D247 PolarHBondContact N-O 2.88Å; H177-D247 IonicContact CE1-OD2 3.94Å; H177-D247 PolarHBondContact CE1-OD2 3.27Å; H177-D247 PolarHBondContact N-O 2.93Å; H177-D247 IonicContact NE2-OD2 3.97Å; H177-D247 PolarHBondContact NE2-OD2 3.02Å; D247-G287 VanDerWaalsContact OD1-C 3.28Å; D247-G287 WeakPolarHBondContact OD1-CA 3.47Å; D247-N288 PolarHBondContact OD1-N 3Å; D247-N288 PolarHBondContact OD2-OD1 3.45Å; D247-H289 PolarHBondContact OD1-N 2.86Å; D247-H289 IonicContact OD2-CD2 3.83Å; D247-H289 PolarHBondContact OD2-CD2 3.09Å; D247-H289 VanDerWaalsContact OD2-CD2 3.27Å; D247-H289 IonicContact OD2-CG 3.52Å; D247-E290 WeakPolarHBondContact CA-OE1 3.33Å; D247-E290 PolarHBondContact N-OE1 3.27Å; D247-E290 PolarHBondContact N-OE2 3.31Å; D247-H395 VanDerWaalsContact CB-CE1 3.5Å; D247-H395 WeakPolarHBondContact CB-CE1 3.23Å; D247-H395 VanDerWaalsContact CG-NE2 3.26Å; D247-H395 IonicContact OD1-CE1 3.81Å; D247-H395 PolarHBondContact OD1-CE1 2.69Å; D247-H395 IonicContact OD1-NE2 3.07Å; D247-H395 PolarHBondContact OD1-NE2 3.2Å; D247-H395 IonicContact OD2-CE1 2.67Å; D247-H395 PolarHBondContact OD2-CE1 2.92Å; D247-H395 IonicContact OD2-NE2 2.64Å; D247-H395 PolarHBondContact OD2-NE2 3.15Å
248	I	98.9	Very high	97.6	Very high	2 Å²	2	22 Å²	22	1%	0.01	13%	0.125	C	C	.	.			trans	-85.9	-51	178.9	-46.9	177.6	0	0	0	111.3	H177 W178 W244 E264 L265 I268 E290	H177-I248 CarbonylContact C-O 3.56Å; H177-I248 VanDerWaalsContact CA-O 3.24Å; H177-I248 WeakPolarHBondContact CA-O 3.29Å; H177-I248 PolarHBondContact N-O 3.47Å; W178-I248 PolarHBondContact N-O 3.31Å; W244-I248 HydrophobicContact CH2-CD1 3.48Å; W244-I248 VanDerWaalsContact CH2-CD1 3.48Å; W244-I248 HydrophobicContact CH2-CG1 4.24Å; W244-I248 HydrophobicContact CZ2-CD1 3.3Å; W244-I248 HydrophobicContact CZ2-CG1 3.53Å; I248-E264 HydrophobicContact CG2-CB 4.46Å; I248-L265 HydrophobicContact CD1-CB 4.46Å; I248-L265 HydrophobicContact CD1-CD1 3.62Å; I248-I268 HydrophobicContact CG2-CB 3.63Å; I248-I268 HydrophobicContact CG2-CG1 3.45Å; I248-I268 VanDerWaalsContact CG2-CG1 3.45Å; I248-I268 HydrophobicContact CG2-CG2 3.97Å; I248-E290 WeakPolarHBondContact CG1-OE1 3.47Å; I248-E290 PolarHBondContact N-OE1 2.9Å
249	P	98.8	Very high	97.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.013	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-75	152.1	-175.6	-22.6	41.6	0	0	0	112.3	H177 Q261 E264 H289 E290	H177-P249 PolarHBondContact ND1-O 3.01Å; P249-Q261 VanDerWaalsContact CG-NE2 3.34Å; P249-E264 VanDerWaalsContact CA-OE2 3.31Å; P249-E264 WeakPolarHBondContact CA-OE2 3.22Å; P249-E264 WeakPolarHBondContact CB-OE2 3.11Å; P249-H289 VanDerWaalsContact CG-O 3.3Å; P249-H289 WeakPolarHBondContact CG-O 3.04Å; P249-E290 WeakPolarHBondContact CD-OE1 3.5Å
250	A	98.3	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.			trans	-68.9	177.5	178.6	0	0	0	0	0	114	D179 L194 D220 N252 Q256 H289	D179-A250 HydrophobicContact CB-CB 3.75Å; L194-A250 HydrophobicContact CD2-CB 4.04Å; D220-A250 HydrophobicContact CB-CB 4.11Å; D220-A250 WeakPolarHBondContact OD2-CA 3.44Å; D220-A250 WeakPolarHBondContact OD2-CB 3.2Å; A250-N252 VanDerWaalsContact C-N 3.26Å; A250-N252 PolarHBondContact O-N 2.97Å; A250-Q256 PolarHBondContact O-NE2 3.22Å; A250-H289 PolarHBondContact O-ND1 3.04Å
251	H	98.3	Very high	97.7	Very high	9 Å²	9	19.4 Å²	19.4	4%	0.042	11%	0.106	C	C	.	.	S	Bend	trans	-85.2	20.7	177.5	-60.4	79.2	0	0	0	114.1	H177 L194 D220 V253 W254 H289 H429 Y458	H177-H251 AromaticContact CD2-CE1 3.65Å; H177-H251 AromaticContact CE1-CE1 3.26Å; H177-H251 PolarHBondContact CE1-CE1 3.15Å; H177-H251 AromaticContact CE1-NE2 3.63Å; H177-H251 AromaticContact CG-CE1 3.56Å; H177-H251 AromaticContact CG-ND1 3.97Å; H177-H251 AromaticContact ND1-CE1 3.34Å; H177-H251 PolarHBondContact ND1-CE1 2.6Å; H177-H251 VanDerWaalsContact ND1-CE1 3.34Å; H177-H251 AromaticContact ND1-ND1 3.73Å; H177-H251 AromaticContact NE2-CE1 3.45Å; H177-H251 PolarHBondContact NE2-CE1 2.89Å; H177-H251 AromaticContact NE2-NE2 3.92Å; L194-H251 HydrophobicContact CB-CB 4.44Å; L194-H251 HydrophobicContact CD1-CB 4.3Å; L194-H251 HydrophobicContact CD2-CB 4.42Å; D220-H251 IonicContact OD1-CE1 3.62Å; D220-H251 IonicContact OD1-ND1 3.84Å; D220-H251 PolarHBondContact OD1-ND1 3.31Å; D220-H251 IonicContact OD2-CE1 3.77Å; D220-H251 IonicContact OD2-CG 2.83Å; D220-H251 PolarHBondContact OD2-N 3.02Å; D220-H251 IonicContact OD2-ND1 3.87Å; D220-H251 PolarHBondContact OD2-ND1 3.03Å; H251-V253 PolarHBondContact O-N 2.82Å; H251-W254 WeakPolarHBondContact O-CZ3 3.45Å; H251-H289 AromaticContact CD2-CE1 3.39Å; H251-H289 PolarHBondContact CD2-CE1 3.31Å; H251-H289 AromaticContact CD2-NE2 3.71Å; H251-H289 AromaticContact CG-CE1 3.92Å; H251-H289 AromaticContact NE2-CE1 3.91Å; H251-H289 AromaticContact NE2-NE2 3.9Å; H251-H429 AromaticContact CE1-CE1 3.68Å; H251-H429 AromaticContact NE2-CE1 3.75Å; H251-Y458 HydrophobicContact CB-CE2 4.31Å; H251-Y458 AromaticContact CD2-CD1 3.94Å; H251-Y458 AromaticContact CD2-CE1 3.74Å; H251-Y458 AromaticContact CE1-CD1 3.54Å; H251-Y458 AromaticContact CE1-CG 3.72Å; H251-Y458 AromaticContact ND1-CD1 3.88Å; H251-Y458 AromaticContact ND1-CD2 4Å; H251-Y458 AromaticContact ND1-CG 3.73Å; H251-Y458 AromaticContact NE2-CD1 3.54Å; H251-Y458 AromaticContact NE2-CE1 3.77Å
252	N	95.8	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.			trans	-77.4	43.3	173.9	67.1	-47.8	0	0	0	112.3	L194 R197 A250 W254 S255 Q256	L194-N252 HydrophobicContact CD2-CB 4.05Å; R197-N252 PolarHBondContact NH2-ND2 2.86Å; A250-N252 VanDerWaalsContact C-N 3.26Å; A250-N252 PolarHBondContact O-N 2.97Å; N252-W254 PolarHBondContact O-N 3.25Å; N252-S255 PolarHBondContact O-N 3.32Å; N252-Q256 PolarHBondContact OD1-NE2 2.69Å
253	V	96	Very high	97.7	Very high	24 Å²	24	23.9 Å²	23.9	15%	0.145	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.1	-164.2	-60.2	0	0	0	0	115	I103 L106 H251 S255 V294	I103-V253 HydrophobicContact CD1-CG2 4.42Å; L106-V253 WeakPolarHBondContact CD2-O 3.21Å; H251-V253 PolarHBondContact O-N 2.82Å; V253-S255 VanDerWaalsContact C-N 3.32Å; V253-V294 HydrophobicContact CB-CB 4.12Å; V253-V294 HydrophobicContact CB-CG1 3.74Å; V253-V294 HydrophobicContact CG1-CB 3.79Å; V253-V294 HydrophobicContact CG1-CG1 3.77Å; V253-V294 HydrophobicContact CG1-CG2 4.05Å; V253-V294 HydrophobicContact CG2-CG1 4.28Å
254	W	94.1	Very high	97.7	Very high	8 Å²	8	24 Å²	24	3%	0.03	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.2	173.9	62.7	94.6	0	0	0	113.1	V99 N102 I103 E192 P193 L194 H251 N252	V99-W254 HydrophobicContact CB-CG 4.48Å; V99-W254 HydrophobicContact CG1-CB 4.02Å; V99-W254 HydrophobicContact CG1-CD2 4.1Å; V99-W254 HydrophobicContact CG1-CE3 4.32Å; V99-W254 HydrophobicContact CG1-CG 3.99Å; V99-W254 HydrophobicContact CG2-CD2 4.31Å; V99-W254 HydrophobicContact CG2-CG 4.4Å; N102-W254 HydrophobicContact CB-CB 4.39Å; N102-W254 VanDerWaalsContact CB-O 3.24Å; N102-W254 WeakPolarHBondContact CB-O 3Å; I103-W254 HydrophobicContact CB-CB 3.88Å; I103-W254 HydrophobicContact CG1-CB 4.37Å; E192-W254 HydrophobicContact CB-CH2 4.15Å; E192-W254 HydrophobicContact CB-CZ2 4.12Å; E192-W254 HydrophobicContact CG-CZ2 4.49Å; P193-W254 HydrophobicContact CB-CH2 4.39Å; P193-W254 HydrophobicContact CB-CZ3 3.78Å; P193-W254 HydrophobicContact CG-CE3 4.19Å; P193-W254 HydrophobicContact CG-CH2 4.39Å; P193-W254 HydrophobicContact CG-CZ3 3.78Å; L194-W254 HydrophobicContact CB-CH2 3.74Å; L194-W254 HydrophobicContact CB-CZ3 4.2Å; H251-W254 WeakPolarHBondContact O-CZ3 3.45Å; N252-W254 PolarHBondContact O-N 3.25Å
255	S	94.3	Very high	97.7	Very high	56 Å²	56	24.1 Å²	24.1	39%	0.392	13%	0.133	S	C	.	.	S	Bend	trans	-140.2	45.7	-171.4	-172.4	0	0	0	0	112.6	N252 V253	N252-S255 PolarHBondContact O-N 3.32Å; V253-S255 VanDerWaalsContact C-N 3.32Å
256	Q	95.8	Very high	97.7	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.019	14%	0.139	C	C	.	.			trans	-109.8	143	178.5	-76	171.9	-14.3	0	0	112.2	A250 N252 T292	A250-Q256 PolarHBondContact O-NE2 3.22Å; N252-Q256 PolarHBondContact OD1-NE2 2.69Å; Q256-T292 PolarHBondContact O-OG1 2.91Å
257	T	97.8	Very high	97.7	Very high	80 Å²	80	27 Å²	27	49%	0.491	15%	0.15	S	C	.	.			trans	-122.3	153.3	174.9	69	0	0	0	0	110.8	N259 Q260 Q261	T257-N259 PolarHBondContact O-N 2.67Å; T257-Q260 WeakPolarHBondContact O-CA 3.01Å; T257-Q260 WeakPolarHBondContact O-CB 3.4Å; T257-Q260 PolarHBondContact O-N 3.16Å; T257-Q260 PolarHBondContact OG1-N 3.33Å; T257-Q261 WeakPolarHBondContact O-CG 3.48Å; T257-Q261 PolarHBondContact O-N 2.62Å; T257-Q261 VanDerWaalsContact O-N 3.07Å
258	R	98.3	Very high	97.7	Very high	65 Å²	65	27 Å²	27	25%	0.245	15%	0.15	C	C	.	.	H	α-helix	trans	-54.2	-40.2	177.4	-68.8	-174.8	177.9	-177.3	-2	112.3	Q260 Q261 L262 T292 N305 W310	R258-Q260 VanDerWaalsContact C-N 3.29Å; R258-Q260 PolarHBondContact O-N 3.3Å; R258-Q261 PolarHBondContact O-N 2.77Å; R258-L262 VanDerWaalsContact O-CG 3.28Å; R258-L262 WeakPolarHBondContact O-CG 3.44Å; R258-L262 PolarHBondContact O-N 2.83Å; R258-T292 HydrophobicContact CB-CG2 4.39Å; R258-T292 HydrophobicContact CG-CG2 3.74Å; R258-N305 VanDerWaalsContact CZ-O 3.27Å; R258-N305 PolarHBondContact NH1-O 3.21Å; R258-N305 PolarHBondContact NH1-OD1 3.32Å; R258-N305 PolarHBondContact NH2-O 2.81Å; R258-W310 HydrophobicContact CB-CD2 4.35Å; R258-W310 HydrophobicContact CB-CE3 3.91Å; R258-W310 HydrophobicContact CB-CH2 4.22Å; R258-W310 HydrophobicContact CB-CZ3 3.83Å; R258-W310 HydrophobicContact CG-CD2 3.97Å; R258-W310 HydrophobicContact CG-CE3 4Å; R258-W310 HydrophobicContact CG-CH2 3.9Å; R258-W310 HydrophobicContact CG-CZ2 3.85Å; R258-W310 HydrophobicContact CG-CZ3 3.95Å; R258-W310 VanDerWaalsContact CZ-CD1 3.41Å
259	N	98.5	Very high	97.7	Very high	119 Å²	119	26.9 Å²	26.9	64%	0.636	15%	0.149	S	C	*	.	H	α-helix	trans	-62.7	-37.5	179	-173.6	60.3	0	0	0	112.3	T257 T263	T257-N259 PolarHBondContact O-N 2.67Å; N259-T263 WeakPolarHBondContact O-CB 3.24Å; N259-T263 PolarHBondContact O-N 3.18Å; N259-T263 PolarHBondContact O-OG1 3.03Å
260	Q	97.8	Very high	97.7	Very high	29 Å²	29	32 Å²	32	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-52.9	173.4	177.9	173.8	3.8	0	0	111	T257 R258 L262 T263 E264	T257-Q260 WeakPolarHBondContact O-CA 3.01Å; T257-Q260 WeakPolarHBondContact O-CB 3.4Å; T257-Q260 PolarHBondContact O-N 3.16Å; T257-Q260 PolarHBondContact OG1-N 3.33Å; R258-Q260 VanDerWaalsContact C-N 3.29Å; R258-Q260 PolarHBondContact O-N 3.3Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 2.96Å; Q260-T263 WeakPolarHBondContact O-CB 3.25Å; Q260-T263 PolarHBondContact O-N 2.82Å; Q260-E264 HydrophobicContact CG-CG 4.35Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.33Å; Q260-E264 PolarHBondContact NE2-OE1 2.75Å; Q260-E264 WeakPolarHBondContact O-CG 3.3Å; Q260-E264 PolarHBondContact O-N 2.94Å
261	Q	98.6	Very high	97.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-53.6	-46.6	178.5	-54.2	-56.6	94.6	0	0	111.9	P249 T257 R258 T263 E264 L265 H289 E290 S291 T292 W310	P249-Q261 VanDerWaalsContact CG-NE2 3.34Å; T257-Q261 WeakPolarHBondContact O-CG 3.48Å; T257-Q261 PolarHBondContact O-N 2.62Å; T257-Q261 VanDerWaalsContact O-N 3.07Å; R258-Q261 PolarHBondContact O-N 2.77Å; Q261-T263 PolarHBondContact O-N 3.35Å; Q261-E264 PolarHBondContact O-N 3.49Å; Q261-L265 WeakPolarHBondContact O-CB 3.3Å; Q261-L265 PolarHBondContact O-N 2.97Å; Q261-H289 PolarHBondContact NE2-O 3.47Å; Q261-E290 PolarHBondContact NE2-O 2.88Å; Q261-S291 PolarHBondContact NE2-O 3.45Å; Q261-T292 HydrophobicContact CG-CG2 3.74Å; Q261-W310 HydrophobicContact CB-CH2 3.99Å; Q261-W310 HydrophobicContact CB-CZ3 4.04Å; Q261-W310 HydrophobicContact CG-CH2 4.13Å
262	L	98.8	Very high	97.7	Very high	39 Å²	39	32.3 Å²	32.3	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-36.4	179.4	-64.1	-179.5	0	0	0	112.6	R258 Q260 T266 W310 L311 K314	R258-L262 VanDerWaalsContact O-CG 3.28Å; R258-L262 WeakPolarHBondContact O-CG 3.44Å; R258-L262 PolarHBondContact O-N 2.83Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 2.96Å; L262-T266 WeakPolarHBondContact O-CB 3.49Å; L262-T266 PolarHBondContact O-N 2.98Å; L262-T266 PolarHBondContact O-OG1 3.11Å; L262-W310 HydrophobicContact CD1-CE3 4.02Å; L262-W310 HydrophobicContact CD1-CZ3 4.47Å; L262-W310 HydrophobicContact CD2-CE3 3.5Å; L262-W310 HydrophobicContact CD2-CZ3 3.57Å; L262-W310 HydrophobicContact CG-CE3 3.75Å; L262-W310 HydrophobicContact CG-CZ3 3.75Å; L262-L311 HydrophobicContact CD2-CD1 4.29Å; L262-K314 HydrophobicContact CB-CG 4.23Å; L262-K314 HydrophobicContact CD2-CB 3.39Å; L262-K314 HydrophobicContact CD2-CG 3.5Å; L262-K314 VanDerWaalsContact CD2-CG 3.5Å; L262-K314 HydrophobicContact CG-CB 4.5Å; L262-K314 HydrophobicContact CG-CG 4.27Å
263	T	98.6	Very high	97.8	Very high	57 Å²	57	35.7 Å²	35.7	35%	0.35	19%	0.189	S	C	.	.	H	α-helix	trans	-65.4	-45.7	176.2	-62.3	0	0	0	0	110.6	N259 Q260 Q261 T266 V267	N259-T263 WeakPolarHBondContact O-CB 3.24Å; N259-T263 PolarHBondContact O-N 3.18Å; N259-T263 PolarHBondContact O-OG1 3.03Å; Q260-T263 WeakPolarHBondContact O-CB 3.25Å; Q260-T263 PolarHBondContact O-N 2.82Å; Q261-T263 PolarHBondContact O-N 3.35Å; T263-T266 PolarHBondContact O-N 2.95Å; T263-V267 HydrophobicContact CG2-CG2 4.32Å; T263-V267 VanDerWaalsContact O-CG2 3.3Å; T263-V267 WeakPolarHBondContact O-CG2 3.38Å; T263-V267 PolarHBondContact O-N 3.31Å
264	E	98.6	Very high	97.9	Very high	3 Å²	3	41 Å²	41	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-44.3	179.7	-68.8	171.7	-175.5	0	0	111.4	W178 I248 P249 Q260 Q261 T266 V267 I268	W178-E264 HydrophobicContact CE3-CB 4.08Å; W178-E264 HydrophobicContact CE3-CG 3.78Å; W178-E264 HydrophobicContact CZ3-CB 4.18Å; W178-E264 HydrophobicContact CZ3-CG 3.74Å; I248-E264 HydrophobicContact CG2-CB 4.46Å; P249-E264 VanDerWaalsContact CA-OE2 3.31Å; P249-E264 WeakPolarHBondContact CA-OE2 3.22Å; P249-E264 WeakPolarHBondContact CB-OE2 3.11Å; Q260-E264 HydrophobicContact CG-CG 4.35Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.33Å; Q260-E264 PolarHBondContact NE2-OE1 2.75Å; Q260-E264 WeakPolarHBondContact O-CG 3.3Å; Q260-E264 PolarHBondContact O-N 2.94Å; Q261-E264 PolarHBondContact O-N 3.49Å; E264-T266 PolarHBondContact O-N 3.49Å; E264-V267 PolarHBondContact O-N 3.18Å; E264-I268 WeakPolarHBondContact O-CB 3.37Å; E264-I268 WeakPolarHBondContact O-CG1 3.45Å; E264-I268 PolarHBondContact O-N 2.91Å
265	L	98.9	Very high	98.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-53.4	-49.6	170.8	172.4	63.7	0	0	0	112	I248 Q261 S269 L311 K314 M315 W319	I248-L265 HydrophobicContact CD1-CB 4.46Å; I248-L265 HydrophobicContact CD1-CD1 3.62Å; Q261-L265 WeakPolarHBondContact O-CB 3.3Å; Q261-L265 PolarHBondContact O-N 2.97Å; L265-S269 WeakPolarHBondContact O-CB 3.38Å; L265-S269 PolarHBondContact O-N 2.95Å; L265-S269 PolarHBondContact O-OG 3.07Å; L265-L311 HydrophobicContact CD2-CD1 4.4Å; L265-K314 HydrophobicContact CD2-CB 4.2Å; L265-K314 HydrophobicContact CD2-CG 3.88Å; L265-M315 HydrophobicContact CD1-CG 4.25Å; L265-M315 HydrophobicContact CD2-CB 4.45Å; L265-M315 HydrophobicContact CD2-CG 3.63Å; L265-W319 HydrophobicContact CD1-CZ2 3.79Å
266	T	98.8	Very high	98.3	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.129	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-47.1	178.6	-69.7	0	0	0	0	111.8	L262 T263 E264 K270 K314 E318	L262-T266 WeakPolarHBondContact O-CB 3.49Å; L262-T266 PolarHBondContact O-N 2.98Å; L262-T266 PolarHBondContact O-OG1 3.11Å; T263-T266 PolarHBondContact O-N 2.95Å; E264-T266 PolarHBondContact O-N 3.49Å; T266-K270 HydrophobicContact CG2-CD 3.83Å; T266-K270 WeakPolarHBondContact O-CB 3.33Å; T266-K270 VanDerWaalsContact O-CG 3.27Å; T266-K270 WeakPolarHBondContact O-CG 3.41Å; T266-K270 PolarHBondContact O-N 3.34Å; T266-K314 WeakPolarHBondContact OG1-CE 3.35Å; T266-K314 PolarHBondContact OG1-NZ 2.89Å; T266-E318 WeakPolarHBondContact CG2-OE1 3.32Å; T266-E318 VanDerWaalsContact OG1-CD 3.27Å; T266-E318 PolarHBondContact OG1-OE1 3.06Å
267	V	98.8	Very high	98.2	Very high	43 Å²	43	42.5 Å²	42.5	26%	0.261	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-50	-177.2	167.6	0	0	0	0	110.4	W178 L223 T263 E264 K270 L271	W178-V267 HydrophobicContact CE3-CB 4.47Å; W178-V267 HydrophobicContact CE3-CG1 4.22Å; W178-V267 HydrophobicContact CH2-CB 4.28Å; W178-V267 HydrophobicContact CH2-CG1 3.93Å; W178-V267 HydrophobicContact CH2-CG2 4.28Å; W178-V267 HydrophobicContact CZ3-CB 3.67Å; W178-V267 HydrophobicContact CZ3-CG1 3.57Å; W178-V267 HydrophobicContact CZ3-CG2 4.05Å; L223-V267 HydrophobicContact CD1-CG1 4.24Å; T263-V267 HydrophobicContact CG2-CG2 4.32Å; T263-V267 VanDerWaalsContact O-CG2 3.3Å; T263-V267 WeakPolarHBondContact O-CG2 3.38Å; T263-V267 PolarHBondContact O-N 3.31Å; E264-V267 PolarHBondContact O-N 3.18Å; V267-K270 PolarHBondContact O-N 3.44Å; V267-L271 HydrophobicContact CG1-CD1 4.07Å; V267-L271 HydrophobicContact CG1-CG 4.42Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.68Å
268	I	98.8	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-39.8	-174.5	-61.6	-71.6	0	0	0	111	I176 W178 L223 V226 W244 I248 E264 K270 L271 I272	I176-I268 HydrophobicContact CD1-CG2 3.64Å; I176-I268 HydrophobicContact CG2-CD1 4.38Å; W178-I268 HydrophobicContact CB-CD1 3.96Å; W178-I268 HydrophobicContact CB-CG1 4.44Å; W178-I268 HydrophobicContact CD2-CD1 4.26Å; W178-I268 HydrophobicContact CE3-CD1 3.98Å; W178-I268 HydrophobicContact CE3-CG1 3.92Å; W178-I268 HydrophobicContact CG-CD1 4.25Å; L223-I268 HydrophobicContact CD1-CD1 4.07Å; V226-I268 HydrophobicContact CG1-CD1 3.9Å; W244-I268 HydrophobicContact CH2-CG2 3.98Å; W244-I268 HydrophobicContact CZ2-CB 4.49Å; W244-I268 HydrophobicContact CZ2-CG2 3.59Å; I248-I268 HydrophobicContact CG2-CB 3.63Å; I248-I268 HydrophobicContact CG2-CG1 3.45Å; I248-I268 VanDerWaalsContact CG2-CG1 3.45Å; I248-I268 HydrophobicContact CG2-CG2 3.97Å; E264-I268 WeakPolarHBondContact O-CB 3.37Å; E264-I268 WeakPolarHBondContact O-CG1 3.45Å; E264-I268 PolarHBondContact O-N 2.91Å; I268-K270 VanDerWaalsContact C-N 3.29Å; I268-K270 PolarHBondContact O-N 3.22Å; I268-L271 HydrophobicContact CD1-CD1 4.37Å; I268-L271 PolarHBondContact O-N 2.99Å; I268-I272 HydrophobicContact CG2-CD1 4Å; I268-I272 WeakPolarHBondContact O-CG1 3.35Å; I268-I272 PolarHBondContact O-N 3.1Å
269	S	98.7	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-42.1	173.1	-58.4	0	0	0	0	111.6	L265 Q273 W319	L265-S269 WeakPolarHBondContact O-CB 3.38Å; L265-S269 PolarHBondContact O-N 2.95Å; L265-S269 PolarHBondContact O-OG 3.07Å; S269-Q273 PolarHBondContact O-N 3.22Å; S269-Q273 VanDerWaalsContact O-N 3.08Å; S269-W319 PolarHBondContact OG-NE1 3.14Å
270	K	98.4	Very high	97.5	Very high	110 Å²	110	42.9 Å²	42.9	48%	0.478	23%	0.234	S	C	.	.	H	α-helix	trans	-70.6	-36.5	177.6	-75.4	175.9	177.8	172.1	0	113.2	T266 V267 I268 Q273 K274	T266-K270 HydrophobicContact CG2-CD 3.83Å; T266-K270 WeakPolarHBondContact O-CB 3.33Å; T266-K270 VanDerWaalsContact O-CG 3.27Å; T266-K270 WeakPolarHBondContact O-CG 3.41Å; T266-K270 PolarHBondContact O-N 3.34Å; V267-K270 PolarHBondContact O-N 3.44Å; I268-K270 VanDerWaalsContact C-N 3.29Å; I268-K270 PolarHBondContact O-N 3.22Å; K270-Q273 PolarHBondContact O-N 3.33Å; K270-K274 WeakPolarHBondContact O-CB 3.32Å; K270-K274 PolarHBondContact O-N 3.12Å
271	L	98.7	Very high	97.6	Very high	15 Å²	15	43.8 Å²	43.8	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-44.4	174.9	-74.6	179.1	0	0	0	111.1	L223 E227 L230 V267 I268 Q273 K274 Y275	L223-L271 HydrophobicContact CD1-CD1 3.52Å; L223-L271 HydrophobicContact CG-CD1 4.23Å; E227-L271 HydrophobicContact CG-CD1 3.88Å; E227-L271 HydrophobicContact CG-CD2 4.06Å; E227-L271 WeakPolarHBondContact OE1-CD2 3.43Å; L230-L271 HydrophobicContact CD1-CB 3.75Å; V267-L271 HydrophobicContact CG1-CD1 4.07Å; V267-L271 HydrophobicContact CG1-CG 4.42Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.68Å; I268-L271 HydrophobicContact CD1-CD1 4.37Å; I268-L271 PolarHBondContact O-N 2.99Å; L271-Q273 VanDerWaalsContact C-N 3.35Å; L271-Q273 PolarHBondContact O-N 3.31Å; L271-K274 HydrophobicContact CD2-CD 4.24Å; L271-K274 PolarHBondContact O-N 3.43Å; L271-Y275 HydrophobicContact CD2-CE2 4.14Å; L271-Y275 VanDerWaalsContact O-CD2 3.3Å; L271-Y275 WeakPolarHBondContact O-CD2 3.38Å; L271-Y275 PolarHBondContact O-N 2.95Å
272	I	98.6	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-50.2	174.7	-71.5	166.5	0	0	0	110.2	L173 I176 L230 W244 I268 K274 Y275 L276 V282 W322	L173-I272 HydrophobicContact CD1-CD1 4.41Å; L173-I272 HydrophobicContact CD1-CG1 4.38Å; I176-I272 HydrophobicContact CD1-CD1 4.33Å; L230-I272 HydrophobicContact CD1-CG1 4.11Å; L230-I272 HydrophobicContact CD2-CG1 3.85Å; W244-I272 HydrophobicContact CD2-CD1 3.59Å; W244-I272 HydrophobicContact CE3-CD1 3.61Å; W244-I272 HydrophobicContact CG-CD1 4.28Å; W244-I272 HydrophobicContact CH2-CD1 3.68Å; W244-I272 HydrophobicContact CZ2-CD1 3.63Å; W244-I272 HydrophobicContact CZ3-CD1 3.68Å; I268-I272 HydrophobicContact CG2-CD1 4Å; I268-I272 WeakPolarHBondContact O-CG1 3.35Å; I268-I272 PolarHBondContact O-N 3.1Å; I272-K274 PolarHBondContact O-N 2.89Å; I272-Y275 PolarHBondContact O-N 3.48Å; I272-L276 HydrophobicContact CG2-CD1 3.85Å; I272-L276 HydrophobicContact CG2-CG 4.45Å; I272-L276 WeakPolarHBondContact O-CB 3.35Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3Å; I272-V282 HydrophobicContact CG2-CG1 4.45Å; I272-V282 HydrophobicContact CG2-CG2 3.79Å; I272-W322 HydrophobicContact CB-CH2 4.48Å; I272-W322 HydrophobicContact CG2-CH2 4.14Å; I272-W322 HydrophobicContact CG2-CZ2 4.11Å
273	Q	97.6	Very high	97.6	Very high	72 Å²	72	42.5 Å²	42.5	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-45.1	176.5	-175.8	-172.4	20.6	0	0	112.4	S269 K270 L271 Y275 G277 W322	S269-Q273 PolarHBondContact O-N 3.22Å; S269-Q273 VanDerWaalsContact O-N 3.08Å; K270-Q273 PolarHBondContact O-N 3.33Å; L271-Q273 VanDerWaalsContact C-N 3.35Å; L271-Q273 PolarHBondContact O-N 3.31Å; Q273-Y275 PolarHBondContact O-N 3.35Å; Q273-G277 WeakPolarHBondContact O-CA 3.43Å; Q273-G277 PolarHBondContact O-N 3.37Å; Q273-W322 HydrophobicContact CB-CZ2 4.15Å
274	K	98	Very high	97.6	Very high	134 Å²	134	39.8 Å²	39.8	58%	0.583	22%	0.218	S	C	*	.	H	α-helix	trans	-58.7	-46.9	-178.5	173.4	-171.1	170.6	-165	0	111.7	E227 K270 L271 I272	E227-K274 IonicContact OE1-NZ 3.58Å; K270-K274 WeakPolarHBondContact O-CB 3.32Å; K270-K274 PolarHBondContact O-N 3.12Å; L271-K274 HydrophobicContact CD2-CD 4.24Å; L271-K274 PolarHBondContact O-N 3.43Å; I272-K274 PolarHBondContact O-N 2.89Å
275	Y	98.2	Very high	97.6	Very high	55 Å²	55	39.7 Å²	39.7	22%	0.216	22%	0.217	C	C	.	.	H	α-helix	trans	-83.9	-41.5	-174.1	-78.1	-75.7	0	0	0	113.1	E227 L230 E231 A234 L271 I272 Q273 G277	E227-Y275 HydrophobicContact CB-CE2 4.16Å; E227-Y275 HydrophobicContact CG-CE2 4.16Å; L230-Y275 HydrophobicContact CB-CD2 3.71Å; L230-Y275 HydrophobicContact CB-CE2 4.48Å; L230-Y275 HydrophobicContact CB-CG 3.83Å; L230-Y275 HydrophobicContact CD1-CD2 4.15Å; E231-Y275 HydrophobicContact CB-CD1 3.94Å; E231-Y275 HydrophobicContact CB-CE1 3.71Å; E231-Y275 HydrophobicContact CG-CD1 4.37Å; E231-Y275 HydrophobicContact CG-CE1 4.08Å; A234-Y275 WeakPolarHBondContact CB-O 3.48Å; L271-Y275 HydrophobicContact CD2-CE2 4.14Å; L271-Y275 VanDerWaalsContact O-CD2 3.3Å; L271-Y275 WeakPolarHBondContact O-CD2 3.38Å; L271-Y275 PolarHBondContact O-N 2.95Å; I272-Y275 PolarHBondContact O-N 3.48Å; Q273-Y275 PolarHBondContact O-N 3.35Å; Y275-G277 VanDerWaalsContact C-N 3.33Å
276	L	97.6	Very high	97.6	Very high	18 Å²	18	39.6 Å²	39.6	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-79.7	-20.2	-179	-56.7	-173.4	0	0	0	112.6	L171 A234 V242 I272 V280 V282	L171-L276 HydrophobicContact CD2-CD1 4Å; L171-L276 HydrophobicContact CD2-CD2 4.09Å; A234-L276 HydrophobicContact CB-CD2 4.35Å; V242-L276 HydrophobicContact CB-CD1 4.5Å; V242-L276 HydrophobicContact CG1-CD1 4.36Å; V242-L276 HydrophobicContact CG2-CD1 3.56Å; I272-L276 HydrophobicContact CG2-CD1 3.85Å; I272-L276 HydrophobicContact CG2-CG 4.45Å; I272-L276 WeakPolarHBondContact O-CB 3.35Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3Å; L276-V280 HydrophobicContact CB-CB 4.35Å; L276-V280 WeakPolarHBondContact O-CG2 3.47Å; L276-V282 HydrophobicContact CD1-CG2 4.5Å
277	G	94.6	Very high	97.6	Very high	28 Å²	28	38.6 Å²	38.6	29%	0.289	21%	0.211	S	C	.	.			trans	83.8	161	176.7	0	0	0	0	0	113.5	Q273 Y275 N279 V280	Q273-G277 WeakPolarHBondContact O-CA 3.43Å; Q273-G277 PolarHBondContact O-N 3.37Å; Y275-G277 VanDerWaalsContact C-N 3.33Å; G277-N279 PolarHBondContact O-N 2.82Å; G277-N279 VanDerWaalsContact O-N 3.13Å; G277-V280 PolarHBondContact O-N 2.76Å
278	A	91.9	Very high	97.6	Very high	89 Å²	89	36.8 Å²	36.8	74%	0.736	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.5	-174.1	0	0	0	0	0	114.8
279	N	92	Very high	97.6	Very high	165 Å²	165	37 Å²	37	88%	0.882	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-11.2	-178.8	-66.4	-18.9	0	0	0	113.2	G277	G277-N279 PolarHBondContact O-N 2.82Å; G277-N279 VanDerWaalsContact O-N 3.13Å
280	V	96.4	Very high	97.6	Very high	18 Å²	18	37.3 Å²	37.3	11%	0.109	20%	0.202	C	C	.	.	S	Bend	trans	-99.7	122	178.8	-179.4	0	0	0	0	108.6	W239 V242 L276 G277	W239-V280 HydrophobicContact CB-CG1 4.09Å; V242-V280 HydrophobicContact CG2-CG1 3.49Å; V242-V280 VanDerWaalsContact CG2-CG1 3.49Å; L276-V280 HydrophobicContact CB-CB 4.35Å; L276-V280 WeakPolarHBondContact O-CG2 3.47Å; G277-V280 PolarHBondContact O-N 2.76Å
281	T	98.4	Very high	97.6	Very high	47 Å²	47	32.2 Å²	32.2	29%	0.288	18%	0.18	S	C	.	.			trans	-85.9	133.1	176.5	-53.3	0	0	0	0	110.1	W241 V242 Y283 W322	W241-T281 WeakPolarHBondContact CA-O 3.46Å; V242-T281 PolarHBondContact N-O 2.61Å; T281-Y283 HydrophobicContact CG2-CD1 4.16Å; T281-Y283 HydrophobicContact CG2-CE1 3.39Å; T281-Y283 HydrophobicContact CG2-CE2 4.31Å; T281-W322 HydrophobicContact CG2-CB 4.04Å
282	V	98.8	Very high	97.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.9	177.6	-174.1	0	0	0	0	109.3	V242 W244 I272 L276 P284 W322	V242-V282 HydrophobicContact CB-CB 4.29Å; V242-V282 HydrophobicContact CB-CG1 4.11Å; V242-V282 HydrophobicContact CB-CG2 4.02Å; V242-V282 HydrophobicContact CG1-CG1 4.06Å; V242-V282 HydrophobicContact CG1-CG2 4.5Å; V242-V282 HydrophobicContact CG2-CG2 4.24Å; W244-V282 HydrophobicContact CB-CG1 3.86Å; W244-V282 HydrophobicContact CE3-CG1 4.28Å; I272-V282 HydrophobicContact CG2-CG1 4.45Å; I272-V282 HydrophobicContact CG2-CG2 3.79Å; L276-V282 HydrophobicContact CD1-CG2 4.5Å; V282-P284 VanDerWaalsContact O-CD 3.25Å; V282-P284 WeakPolarHBondContact O-CD 3.32Å; V282-W322 HydrophobicContact CB-CD2 3.63Å; V282-W322 HydrophobicContact CB-CE3 3.82Å; V282-W322 HydrophobicContact CB-CG 4.11Å; V282-W322 HydrophobicContact CB-CH2 4.16Å; V282-W322 HydrophobicContact CB-CZ2 3.99Å; V282-W322 HydrophobicContact CB-CZ3 4.07Å; V282-W322 HydrophobicContact CG1-CE3 4.35Å; V282-W322 HydrophobicContact CG1-CH2 4.41Å; V282-W322 HydrophobicContact CG1-CZ3 4.24Å; V282-W322 HydrophobicContact CG2-CD2 4.14Å; V282-W322 HydrophobicContact CG2-CH2 4.28Å; V282-W322 HydrophobicContact CG2-CZ2 3.76Å; V282-W322 WeakPolarHBondContact O-CB 3.46Å
283	Y	98.9	Very high	97.6	Very high	13 Å²	13	32.1 Å²	32.1	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	98.1	175.6	-53.3	-63.3	0	0	0	109.5	W241 V242 Y243 W244 T281 L323 Y337 L339 I341 V347 I393	W241-Y283 HydrophobicContact CB-CD2 4.19Å; W241-Y283 HydrophobicContact CB-CE2 3.64Å; W241-Y283 AromaticContact CD1-CD2 3.85Å; W241-Y283 AromaticContact CD1-CE2 3.91Å; W241-Y283 HydrophobicContact CG-CD2 4.21Å; W241-Y283 AromaticContact CG-CE2 3.82Å; W241-Y283 HydrophobicContact CG-CE2 3.82Å; V242-Y283 PolarHBondContact O-N 3.19Å; Y243-Y283 HydrophobicContact CD1-CD2 4.05Å; Y243-Y283 AromaticContact CE1-CD2 3.83Å; Y243-Y283 HydrophobicContact CE1-CD2 3.83Å; W244-Y283 PolarHBondContact N-O 2.73Å; W244-Y283 VanDerWaalsContact N-O 3.09Å; T281-Y283 HydrophobicContact CG2-CD1 4.16Å; T281-Y283 HydrophobicContact CG2-CE1 3.39Å; T281-Y283 HydrophobicContact CG2-CE2 4.31Å; Y283-L323 HydrophobicContact CD1-CD2 4.12Å; Y283-Y337 VanDerWaalsContact C-OH 3.23Å; Y283-Y337 VanDerWaalsContact CA-OH 3.23Å; Y283-Y337 WeakPolarHBondContact CA-OH 3.43Å; Y283-Y337 WeakPolarHBondContact CB-OH 3.5Å; Y283-L339 HydrophobicContact CD1-CD1 4.16Å; Y283-L339 HydrophobicContact CD1-CD2 4.02Å; Y283-L339 HydrophobicContact CD1-CG 4.48Å; Y283-L339 HydrophobicContact CE1-CD1 3.45Å; Y283-L339 VanDerWaalsContact CE1-CD1 3.45Å; Y283-L339 HydrophobicContact CE1-CD2 3.89Å; Y283-L339 HydrophobicContact CE1-CG 4.19Å; Y283-I341 HydrophobicContact CD2-CD1 4.28Å; Y283-I341 HydrophobicContact CD2-CG1 4.36Å; Y283-I341 HydrophobicContact CE2-CB 4.36Å; Y283-I341 HydrophobicContact CE2-CD1 3.95Å; Y283-I341 HydrophobicContact CE2-CG1 3.7Å; Y283-I341 HydrophobicContact CE2-CG2 3.92Å; Y283-V347 HydrophobicContact CD1-CG1 4.19Å; Y283-V347 HydrophobicContact CG-CG1 4.17Å; Y283-I393 WeakPolarHBondContact O-CD1 3.31Å
284	P	98.9	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	157.4	-179.5	29.6	-34.3	0	0	0	114.1	W244 V282 W319 Y337 S349	W244-P284 HydrophobicContact CD2-CB 4.45Å; W244-P284 HydrophobicContact CE3-CB 3.92Å; W244-P284 CarbonylContact O-C 3.41Å; W244-P284 WeakPolarHBondContact O-CA 3.44Å; V282-P284 VanDerWaalsContact O-CD 3.25Å; V282-P284 WeakPolarHBondContact O-CD 3.32Å; P284-W319 HydrophobicContact CB-CD2 4.09Å; P284-W319 HydrophobicContact CB-CE3 4.06Å; P284-W319 HydrophobicContact CB-CH2 3.81Å; P284-W319 HydrophobicContact CB-CZ2 3.82Å; P284-W319 HydrophobicContact CB-CZ3 3.93Å; P284-W319 HydrophobicContact CG-CB 4.45Å; P284-W319 HydrophobicContact CG-CD2 3.35Å; P284-W319 HydrophobicContact CG-CE3 3.31Å; P284-W319 HydrophobicContact CG-CG 3.87Å; P284-W319 HydrophobicContact CG-CH2 4.01Å; P284-W319 HydrophobicContact CG-CZ2 4.05Å; P284-W319 HydrophobicContact CG-CZ3 3.65Å; P284-Y337 VanDerWaalsContact CD-OH 3.26Å; P284-Y337 WeakPolarHBondContact CD-OH 3.03Å; P284-Y337 VanDerWaalsContact N-OH 3.1Å; P284-Y337 VanDerWaalsContact O-CE1 3.23Å; P284-Y337 WeakPolarHBondContact O-CE1 3.2Å; P284-Y337 PolarHBondContact O-OH 2.78Å; P284-S349 WeakPolarHBondContact O-CB 3.32Å; P284-S349 PolarHBondContact O-OG 2.02Å
285	A	98.9	Very high	97.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	15%	0.147	C	C	.	.			trans	-124.2	157.9	162.7	0	0	0	0	0	110	W244 T245 G246 S349 I393	W244-A285 PolarHBondContact O-N 2.75Å; T245-A285 CarbonylContact C-O 3.55Å; T245-A285 HydrophobicContact CG2-CB 4.18Å; G246-A285 WeakPolarHBondContact CA-O 3.49Å; G246-A285 PolarHBondContact N-O 2.76Å; A285-S349 VanDerWaalsContact CA-OG 3.31Å; A285-S349 WeakPolarHBondContact CA-OG 3.45Å; A285-S349 WeakPolarHBondContact CB-OG 3.47Å; A285-I393 HydrophobicContact CB-CD1 4.49Å; A285-I393 HydrophobicContact CB-CG1 4.36Å
286	V	98.9	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.137	C	C	.	.			trans	-87.5	123.2	179.9	-176.4	0	0	0	0	109.1	E290 F297 M315 W319 G335 H395	V286-E290 HydrophobicContact CG1-CB 4.46Å; V286-F297 HydrophobicContact CG1-CE1 3.67Å; V286-F297 HydrophobicContact CG1-CZ 4.11Å; V286-M315 HydrophobicContact CG1-CE 3.96Å; V286-M315 HydrophobicContact CG2-CE 4.01Å; V286-M315 HydrophobicContact CG2-SD 3.76Å; V286-W319 HydrophobicContact CG2-CH2 4.36Å; V286-W319 HydrophobicContact CG2-CZ3 4.47Å; V286-G335 WeakPolarHBondContact CG2-O 3.44Å; V286-H395 WeakPolarHBondContact O-CB 3.23Å
287	G	98.8	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.133	C	C	.	.			trans	-91	-178.1	169.5	0	0	0	0	0	113.1	D247 E290 F297 N353 H395	D247-G287 VanDerWaalsContact OD1-C 3.28Å; D247-G287 WeakPolarHBondContact OD1-CA 3.47Å; G287-E290 WeakPolarHBondContact CA-OE2 3.06Å; G287-E290 PolarHBondContact N-OE2 2.81Å; G287-E290 VanDerWaalsContact O-OE2 3.08Å; G287-F297 WeakPolarHBondContact O-CZ 3.41Å; G287-N353 PolarHBondContact O-ND2 3.36Å; G287-H395 VanDerWaalsContact CA-CD2 3.41Å; G287-H395 WeakPolarHBondContact CA-CD2 3.44Å
288	N	98.8	Very high	97.7	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.027	12%	0.12	C	C	.	.	S	Bend	trans	-91.6	-16.7	-170	71.6	-81.5	0	0	0	113.5	D247 N295 F297 N353 H395 I396 H427	D247-N288 PolarHBondContact OD1-N 3Å; D247-N288 PolarHBondContact OD2-OD1 3.45Å; N288-N295 VanDerWaalsContact CB-OD1 3.29Å; N288-N295 WeakPolarHBondContact CB-OD1 3.43Å; N288-N295 PolarHBondContact ND2-OD1 3.27Å; N288-N295 PolarHBondContact O-N 2.92Å; N288-N295 VanDerWaalsContact O-N 3.14Å; N288-F297 WeakPolarHBondContact O-CE2 3.4Å; N288-N353 WeakPolarHBondContact CA-OD1 3.28Å; N288-N353 WeakPolarHBondContact CB-OD1 3.47Å; N288-H395 PolarHBondContact OD1-CD2 2.9Å; N288-H395 PolarHBondContact OD1-NE2 2.92Å; N288-I396 HydrophobicContact CB-CD1 4.46Å; N288-H427 PolarHBondContact OD1-CE1 2.97Å; N288-H427 PolarHBondContact OD1-ND1 3.39Å
289	H	98.7	Very high	98	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.028	9%	0.086	C	C	.	.	S	Bend	trans	-85.8	-7.7	174	-81.4	-107.8	0	0	0	114.2	H177 D247 P249 A250 H251 Q261 S291	H177-H289 AromaticContact CE1-CD2 3.92Å; H177-H289 AromaticContact CE1-CG 3.85Å; D247-H289 PolarHBondContact OD1-N 2.86Å; D247-H289 IonicContact OD2-CD2 3.83Å; D247-H289 PolarHBondContact OD2-CD2 3.09Å; D247-H289 VanDerWaalsContact OD2-CD2 3.27Å; D247-H289 IonicContact OD2-CG 3.52Å; P249-H289 VanDerWaalsContact CG-O 3.3Å; P249-H289 WeakPolarHBondContact CG-O 3.04Å; A250-H289 PolarHBondContact O-ND1 3.04Å; H251-H289 AromaticContact CD2-CE1 3.39Å; H251-H289 PolarHBondContact CD2-CE1 3.31Å; H251-H289 AromaticContact CD2-NE2 3.71Å; H251-H289 AromaticContact CG-CE1 3.92Å; H251-H289 AromaticContact NE2-CE1 3.91Å; H251-H289 AromaticContact NE2-NE2 3.9Å; Q261-H289 PolarHBondContact NE2-O 3.47Å; H289-S291 VanDerWaalsContact C-N 3.32Å; H289-S291 PolarHBondContact O-N 2.85Å
290	E	98.8	Very high	98.3	Very high	6 Å²	6	9.1 Å²	9.1	3%	0.028	5%	0.054	C	C	.	.	S	Bend	trans	-66.1	-31.3	-179.6	-87	64.9	-116.1	0	0	113.9	D247 I248 P249 Q261 V286 G287 F297 L311 M315	D247-E290 WeakPolarHBondContact CA-OE1 3.33Å; D247-E290 PolarHBondContact N-OE1 3.27Å; D247-E290 PolarHBondContact N-OE2 3.31Å; I248-E290 WeakPolarHBondContact CG1-OE1 3.47Å; I248-E290 PolarHBondContact N-OE1 2.9Å; P249-E290 WeakPolarHBondContact CD-OE1 3.5Å; Q261-E290 PolarHBondContact NE2-O 2.88Å; V286-E290 HydrophobicContact CG1-CB 4.46Å; G287-E290 WeakPolarHBondContact CA-OE2 3.06Å; G287-E290 PolarHBondContact N-OE2 2.81Å; G287-E290 VanDerWaalsContact O-OE2 3.08Å; E290-F297 HydrophobicContact CB-CZ 4.34Å; E290-L311 HydrophobicContact CB-CD1 4.28Å; E290-L311 HydrophobicContact CB-CD2 3.89Å; E290-M315 HydrophobicContact CB-CE 3.8Å; E290-M315 HydrophobicContact CG-CE 3.53Å
291	S	98.4	Very high	98.3	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.021	7%	0.066	C	C	.	.	S	Bend	trans	-91	159.1	-179.5	-165.5	0	0	0	0	111.8	Q261 H289 P293 S296	Q261-S291 PolarHBondContact NE2-O 3.45Å; H289-S291 VanDerWaalsContact C-N 3.32Å; H289-S291 PolarHBondContact O-N 2.85Å; S291-P293 CarbonylContact C-O 3.45Å; S291-S296 VanDerWaalsContact CB-O 3.26Å; S291-S296 WeakPolarHBondContact CB-O 3.35Å; S291-S296 PolarHBondContact OG-O 2.98Å
292	T	98	Very high	98.2	Very high	8 Å²	8	10.9 Å²	10.9	5%	0.049	6%	0.057	C	C	.	.	S	Bend	trans	-130.7	128.1	167.2	176.4	0	0	0	0	109.2	Q256 R258 Q261 W310	Q256-T292 PolarHBondContact O-OG1 2.91Å; R258-T292 HydrophobicContact CB-CG2 4.39Å; R258-T292 HydrophobicContact CG-CG2 3.74Å; Q261-T292 HydrophobicContact CG-CG2 3.74Å; T292-W310 HydrophobicContact CG2-CH2 4.23Å; T292-W310 HydrophobicContact CG2-CZ2 4.41Å
293	P	98.1	Very high	98	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.026	9%	0.089	C	C	.	.	S	Bend	cis	-62.3	156.6	-1.1	-17.6	29.9	0	0	0	113.4	L106 F107 D110 S291 S296	L106-P293 HydrophobicContact CG-CB 4.4Å; L106-P293 HydrophobicContact CG-CG 4.23Å; L106-P293 WeakPolarHBondContact O-CG 3.46Å; F107-P293 HydrophobicContact CD1-CB 3.91Å; F107-P293 HydrophobicContact CD1-CG 4.42Å; F107-P293 HydrophobicContact CD2-CB 3.71Å; F107-P293 HydrophobicContact CD2-CG 4.3Å; F107-P293 HydrophobicContact CE1-CB 3.74Å; F107-P293 HydrophobicContact CE2-CB 3.55Å; F107-P293 HydrophobicContact CG-CB 3.91Å; F107-P293 HydrophobicContact CG-CG 4.24Å; F107-P293 HydrophobicContact CZ-CB 3.57Å; D110-P293 WeakPolarHBondContact OD2-CD 3.42Å; S291-P293 CarbonylContact C-O 3.45Å; P293-S296 WeakPolarHBondContact O-CB 3.14Å; P293-S296 PolarHBondContact O-N 3.18Å
294	V	97.1	Very high	97.8	Very high	13 Å²	13	19.9 Å²	19.9	8%	0.079	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	142.6	179.3	64.5	0	0	0	0	110.3	F107 V253 S296	F107-V294 HydrophobicContact CE2-CG1 4.46Å; F107-V294 HydrophobicContact CZ-CG1 3.83Å; V253-V294 HydrophobicContact CB-CB 4.12Å; V253-V294 HydrophobicContact CB-CG1 3.74Å; V253-V294 HydrophobicContact CG1-CB 3.79Å; V253-V294 HydrophobicContact CG1-CG1 3.77Å; V253-V294 HydrophobicContact CG1-CG2 4.05Å; V253-V294 HydrophobicContact CG2-CG1 4.28Å; V294-S296 PolarHBondContact O-N 2.86Å
295	N	97.1	Very high	97.6	Very high	26 Å²	26	26.2 Å²	26.2	14%	0.139	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-0.4	-174.5	-48.1	-51.8	0	0	0	115.8	N288 F297 E358 N359	N288-N295 VanDerWaalsContact CB-OD1 3.29Å; N288-N295 WeakPolarHBondContact CB-OD1 3.43Å; N288-N295 PolarHBondContact ND2-OD1 3.27Å; N288-N295 PolarHBondContact O-N 2.92Å; N288-N295 VanDerWaalsContact O-N 3.14Å; N295-F297 PolarHBondContact O-N 3.02Å; N295-E358 HydrophobicContact CB-CB 3.77Å; N295-E358 VanDerWaalsContact CG-CB 3.49Å; N295-E358 WeakPolarHBondContact ND2-CB 3.47Å; N295-N359 WeakPolarHBondContact O-CA 3.47Å; N295-N359 WeakPolarHBondContact O-CB 3.44Å; N295-N359 PolarHBondContact O-OD1 2.91Å
296	S	98.3	Very high	97.4	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.163	C	C	.	.			trans	-77	89.9	177.4	-170.6	0	0	0	0	110.8	S291 P293 V294 P298 F360 W361	S291-S296 VanDerWaalsContact CB-O 3.26Å; S291-S296 WeakPolarHBondContact CB-O 3.35Å; S291-S296 PolarHBondContact OG-O 2.98Å; P293-S296 WeakPolarHBondContact O-CB 3.14Å; P293-S296 PolarHBondContact O-N 3.18Å; V294-S296 PolarHBondContact O-N 2.86Å; S296-P298 WeakPolarHBondContact O-CD 3.36Å; S296-F360 WeakPolarHBondContact OG-CZ 3.42Å; S296-W361 PolarHBondContact OG-NE1 2.61Å
297	F	98.7	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.			trans	-120.5	75.8	174.9	-69	-93	0	0	0	111.1	V286 G287 N288 E290 N295 P299 L311 Y312 N353 N359	V286-F297 HydrophobicContact CG1-CE1 3.67Å; V286-F297 HydrophobicContact CG1-CZ 4.11Å; G287-F297 WeakPolarHBondContact O-CZ 3.41Å; N288-F297 WeakPolarHBondContact O-CE2 3.4Å; E290-F297 HydrophobicContact CB-CZ 4.34Å; N295-F297 PolarHBondContact O-N 3.02Å; F297-P299 WeakPolarHBondContact O-CD 3.16Å; F297-L311 HydrophobicContact CE1-CD2 3.9Å; F297-L311 HydrophobicContact CZ-CD2 4.47Å; F297-Y312 HydrophobicContact CD1-CE1 4.38Å; F297-Y312 WeakPolarHBondContact CD1-OH 3.23Å; F297-Y312 HydrophobicContact CE1-CE1 4.47Å; F297-N353 HydrophobicContact CB-CB 3.72Å; F297-N353 HydrophobicContact CD1-CB 4.07Å; F297-N353 HydrophobicContact CD2-CB 3.47Å; F297-N353 VanDerWaalsContact CD2-CB 3.47Å; F297-N353 WeakPolarHBondContact CD2-OD1 3.28Å; F297-N353 HydrophobicContact CE2-CB 4.06Å; F297-N353 WeakPolarHBondContact CE2-OD1 3.21Å; F297-N353 HydrophobicContact CG-CB 3.47Å; F297-N353 VanDerWaalsContact CG-CB 3.47Å; F297-N353 WeakPolarHBondContact CZ-ND2 3.33Å; F297-N359 PolarHBondContact N-OD1 3.11Å; F297-N359 PolarHBondContact O-ND2 3.48Å
298	P	98.3	Very high	97.3	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.032	17%	0.171	C	C	.	.			trans	-56.5	127.3	175.8	2.8	-8.5	0	0	0	111.3	S296 V302 R306 S308 W361	S296-P298 WeakPolarHBondContact O-CD 3.36Å; P298-V302 HydrophobicContact CB-CB 3.67Å; P298-V302 HydrophobicContact CB-CG1 3.87Å; P298-V302 HydrophobicContact CB-CG2 3.76Å; P298-R306 WeakPolarHBondContact CG-O 3.38Å; P298-S308 WeakPolarHBondContact CD-OG 3.43Å; P298-W361 HydrophobicContact CB-CB 4.49Å; P298-W361 HydrophobicContact CB-CD2 3.75Å; P298-W361 HydrophobicContact CB-CE3 4.34Å; P298-W361 HydrophobicContact CB-CG 3.81Å; P298-W361 HydrophobicContact CB-CZ2 4.43Å; P298-W361 VanDerWaalsContact CD-CD1 3.44Å; P298-W361 HydrophobicContact CG-CD2 4.22Å; P298-W361 HydrophobicContact CG-CG 4.27Å; P298-W361 HydrophobicContact CG-CZ2 4.29Å
299	P	98.3	Very high	97.3	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.185	C	C	.	.			trans	-65.1	166.7	177.2	-21.1	32.8	0	0	0	112.5	F297 F301 V302 F354 L362 P369	F297-P299 WeakPolarHBondContact O-CD 3.16Å; P299-F301 HydrophobicContact CB-CD1 3.75Å; P299-F301 HydrophobicContact CB-CE1 3.47Å; P299-F301 VanDerWaalsContact CB-CE1 3.47Å; P299-F301 HydrophobicContact CB-CZ 4.08Å; P299-F301 HydrophobicContact CG-CD1 4.34Å; P299-F301 HydrophobicContact CG-CE1 3.56Å; P299-F301 HydrophobicContact CG-CZ 3.81Å; P299-F301 PolarHBondContact O-N 3.17Å; P299-V302 PolarHBondContact O-N 3.32Å; P299-F354 HydrophobicContact CB-CE1 4.29Å; P299-F354 HydrophobicContact CG-CD1 4.44Å; P299-F354 HydrophobicContact CG-CE1 4.35Å; P299-L362 HydrophobicContact CG-CD2 4.04Å; P299-P369 HydrophobicContact CB-CB 3.96Å; P299-P369 HydrophobicContact CG-CB 3.82Å
300	P	97.8	Very high	97.3	Very high	32 Å²	32	34.7 Å²	34.7	21%	0.208	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-10.1	-172.8	-27.2	36	0	0	0	116.7	V302 H303 Y333 A370	P300-V302 VanDerWaalsContact C-N 3.25Å; P300-H303 PolarHBondContact O-CE1 3.25Å; P300-H303 PolarHBondContact O-ND1 3.38Å; P300-Y333 HydrophobicContact CB-CD2 4.45Å; P300-Y333 HydrophobicContact CB-CE2 3.77Å; P300-Y333 HydrophobicContact CG-CE1 4.04Å; P300-Y333 HydrophobicContact CG-CE2 4.08Å; P300-A370 HydrophobicContact CG-CB 3.6Å
301	F	95.8	Very high	97.3	Very high	85 Å²	85	34.5 Å²	34.5	37%	0.373	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.8	171.2	63.8	-110.8	0	0	0	113	P299 V364 N365	P299-F301 HydrophobicContact CB-CD1 3.75Å; P299-F301 HydrophobicContact CB-CE1 3.47Å; P299-F301 VanDerWaalsContact CB-CE1 3.47Å; P299-F301 HydrophobicContact CB-CZ 4.08Å; P299-F301 HydrophobicContact CG-CD1 4.34Å; P299-F301 HydrophobicContact CG-CE1 3.56Å; P299-F301 HydrophobicContact CG-CZ 3.81Å; P299-F301 PolarHBondContact O-N 3.17Å; F301-V364 HydrophobicContact CE2-CB 4.23Å; F301-V364 HydrophobicContact CE2-CG1 3.84Å; F301-V364 HydrophobicContact CZ-CB 4.14Å; F301-V364 HydrophobicContact CZ-CG1 4.09Å; F301-N365 HydrophobicContact CE1-CB 4.08Å; F301-N365 HydrophobicContact CZ-CB 4.3Å
302	V	96.3	Very high	97.3	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.097	19%	0.19	C	C	.	.	S	Bend	trans	-89.2	127.8	171.6	-177.6	0	0	0	0	108.7	P298 P299 P300 R306 S307 W361	P298-V302 HydrophobicContact CB-CB 3.67Å; P298-V302 HydrophobicContact CB-CG1 3.87Å; P298-V302 HydrophobicContact CB-CG2 3.76Å; P299-V302 PolarHBondContact O-N 3.32Å; P300-V302 VanDerWaalsContact C-N 3.25Å; V302-R306 HydrophobicContact CG1-CB 4.06Å; V302-S307 VanDerWaalsContact O-CB 3.3Å; V302-S307 WeakPolarHBondContact O-CB 3.19Å; V302-W361 HydrophobicContact CG1-CZ3 4.47Å; V302-W361 HydrophobicContact CG2-CE3 4.02Å; V302-W361 HydrophobicContact CG2-CZ3 4.16Å
303	H	94.3	Very high	97.3	Very high	148 Å²	148	37.4 Å²	37.4	69%	0.685	21%	0.205	S	C	*	.			trans	-119.2	170.2	-172.9	-56.4	-50.4	0	0	0	112.9	P300	P300-H303 PolarHBondContact O-CE1 3.25Å; P300-H303 PolarHBondContact O-ND1 3.38Å
304	G	95.4	Very high	97.4	Very high	55 Å²	55	39.4 Å²	39.4	57%	0.567	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	70.9	-151.4	176.7	0	0	0	0	0	112.6	R306 S307	G304-R306 PolarHBondContact O-N 2.03Å; G304-S307 WeakPolarHBondContact O-CB 3.4Å; G304-S307 PolarHBondContact O-N 2.85Å; G304-S307 VanDerWaalsContact O-N 3.08Å; G304-S307 PolarHBondContact O-OG 2.71Å
305	N	94.6	Very high	97.5	Very high	134 Å²	134	38.8 Å²	38.8	72%	0.717	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-66.3	-19.9	-171.2	-165.2	43.2	0	0	0	114.1	R258	R258-N305 VanDerWaalsContact CZ-O 3.27Å; R258-N305 PolarHBondContact NH1-O 3.21Å; R258-N305 PolarHBondContact NH1-OD1 3.32Å; R258-N305 PolarHBondContact NH2-O 2.81Å
306	R	94.8	Very high	97.6	Very high	87 Å²	87	37.5 Å²	37.5	33%	0.328	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-79.8	-17.5	175.6	-69.3	-170.6	179.9	102.6	-3.6	113.4	P298 V302 G304	P298-R306 WeakPolarHBondContact CG-O 3.38Å; V302-R306 HydrophobicContact CG1-CB 4.06Å; G304-R306 PolarHBondContact O-N 2.03Å
307	S	97.6	Very high	97.6	Very high	21 Å²	21	43.2 Å²	43.2	15%	0.147	23%	0.229	C	C	.	.	S	Bend	trans	-68.2	160.1	176.7	72.5	0	0	0	0	111.8	V302 G304 A309	V302-S307 VanDerWaalsContact O-CB 3.3Å; V302-S307 WeakPolarHBondContact O-CB 3.19Å; G304-S307 WeakPolarHBondContact O-CB 3.4Å; G304-S307 PolarHBondContact O-N 2.85Å; G304-S307 VanDerWaalsContact O-N 3.08Å; G304-S307 PolarHBondContact O-OG 2.71Å; S307-A309 PolarHBondContact O-N 2.85Å; S307-A309 WeakPolarHBondContact OG-CB 3.41Å; S307-A309 PolarHBondContact OG-N 2.93Å
308	S	98.4	Very high	97.6	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.028	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	11.8	172.9	-56	0	0	0	0	113.9	P298 W310 L311 Y312	P298-S308 WeakPolarHBondContact CD-OG 3.43Å; S308-W310 VanDerWaalsContact C-N 3.25Å; S308-W310 PolarHBondContact O-N 3.08Å; S308-L311 WeakPolarHBondContact O-CB 3.47Å; S308-L311 PolarHBondContact O-N 2.9Å; S308-Y312 PolarHBondContact O-N 2.85Å
309	A	98.4	Very high	97.6	Very high	37 Å²	37	44.2 Å²	44.2	31%	0.306	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-33.6	-177.5	0	0	0	0	0	113	S307 L311 N313	S307-A309 PolarHBondContact O-N 2.85Å; S307-A309 WeakPolarHBondContact OG-CB 3.41Å; S307-A309 PolarHBondContact OG-N 2.93Å; A309-L311 PolarHBondContact O-N 2.83Å; A309-N313 WeakPolarHBondContact O-CB 3.35Å; A309-N313 PolarHBondContact O-N 2.85Å; A309-N313 PolarHBondContact O-ND2 2.88Å
310	W	98.6	Very high	97.6	Very high	42 Å²	42	46.6 Å²	46.6	16%	0.159	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-38	175.7	65.9	-87.6	0	0	0	112.1	R258 Q261 L262 T292 S308	R258-W310 HydrophobicContact CB-CD2 4.35Å; R258-W310 HydrophobicContact CB-CE3 3.91Å; R258-W310 HydrophobicContact CB-CH2 4.22Å; R258-W310 HydrophobicContact CB-CZ3 3.83Å; R258-W310 HydrophobicContact CG-CD2 3.97Å; R258-W310 HydrophobicContact CG-CE3 4Å; R258-W310 HydrophobicContact CG-CH2 3.9Å; R258-W310 HydrophobicContact CG-CZ2 3.85Å; R258-W310 HydrophobicContact CG-CZ3 3.95Å; R258-W310 VanDerWaalsContact CZ-CD1 3.41Å; Q261-W310 HydrophobicContact CB-CH2 3.99Å; Q261-W310 HydrophobicContact CB-CZ3 4.04Å; Q261-W310 HydrophobicContact CG-CH2 4.13Å; L262-W310 HydrophobicContact CD1-CE3 4.02Å; L262-W310 HydrophobicContact CD1-CZ3 4.47Å; L262-W310 HydrophobicContact CD2-CE3 3.5Å; L262-W310 HydrophobicContact CD2-CZ3 3.57Å; L262-W310 HydrophobicContact CG-CE3 3.75Å; L262-W310 HydrophobicContact CG-CZ3 3.75Å; T292-W310 HydrophobicContact CG2-CH2 4.23Å; T292-W310 HydrophobicContact CG2-CZ2 4.41Å; S308-W310 VanDerWaalsContact C-N 3.25Å; S308-W310 PolarHBondContact O-N 3.08Å
311	L	98.9	Very high	97.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-79.6	-52.7	-179.4	-179.9	63.9	0	0	0	110.7	L262 L265 E290 F297 S308 A309 N313 K314 M315	L262-L311 HydrophobicContact CD2-CD1 4.29Å; L265-L311 HydrophobicContact CD2-CD1 4.4Å; E290-L311 HydrophobicContact CB-CD1 4.28Å; E290-L311 HydrophobicContact CB-CD2 3.89Å; F297-L311 HydrophobicContact CE1-CD2 3.9Å; F297-L311 HydrophobicContact CZ-CD2 4.47Å; S308-L311 WeakPolarHBondContact O-CB 3.47Å; S308-L311 PolarHBondContact O-N 2.9Å; A309-L311 PolarHBondContact O-N 2.83Å; L311-N313 VanDerWaalsContact C-N 3.32Å; L311-N313 PolarHBondContact O-N 2.86Å; L311-K314 PolarHBondContact O-N 2.87Å; L311-K314 VanDerWaalsContact O-N 3.09Å; L311-M315 HydrophobicContact CD1-CE 3.73Å; L311-M315 HydrophobicContact CD2-CE 3.93Å; L311-M315 HydrophobicContact CG-CE 3.65Å; L311-M315 HydrophobicContact CG-SD 4.08Å; L311-M315 WeakPolarHBondContact O-CG 3.5Å; L311-M315 PolarHBondContact O-N 3.07Å
312	Y	98.9	Very high	97.6	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-34.1	-176.1	-59	-25.9	0	0	0	113	F297 S308 M315 A316 N351	F297-Y312 HydrophobicContact CD1-CE1 4.38Å; F297-Y312 WeakPolarHBondContact CD1-OH 3.23Å; F297-Y312 HydrophobicContact CE1-CE1 4.47Å; S308-Y312 PolarHBondContact O-N 2.85Å; Y312-M315 HydrophobicContact CD1-SD 4.02Å; Y312-A316 WeakPolarHBondContact O-CB 3.36Å; Y312-A316 PolarHBondContact O-N 3.48Å; Y312-N351 PolarHBondContact OH-ND2 3.42Å
313	N	98.8	Very high	97.8	Very high	66 Å²	66	45.1 Å²	45.1	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-42.6	173	-71.8	-27.3	0	0	0	111	A309 L311 A316 E317	A309-N313 WeakPolarHBondContact O-CB 3.35Å; A309-N313 PolarHBondContact O-N 2.85Å; A309-N313 PolarHBondContact O-ND2 2.88Å; L311-N313 VanDerWaalsContact C-N 3.32Å; L311-N313 PolarHBondContact O-N 2.86Å; N313-A316 PolarHBondContact O-N 3.27Å; N313-E317 WeakPolarHBondContact O-CG 3.28Å; N313-E317 PolarHBondContact O-N 3.03Å
314	K	98.8	Very high	98	Very high	45 Å²	45	41.3 Å²	41.3	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-40.1	177.9	-171.8	54.4	164	164.1	0	112.5	L262 L265 T266 L311 A316 E317 E318	L262-K314 HydrophobicContact CB-CG 4.23Å; L262-K314 HydrophobicContact CD2-CB 3.39Å; L262-K314 HydrophobicContact CD2-CG 3.5Å; L262-K314 VanDerWaalsContact CD2-CG 3.5Å; L262-K314 HydrophobicContact CG-CB 4.5Å; L262-K314 HydrophobicContact CG-CG 4.27Å; L265-K314 HydrophobicContact CD2-CB 4.2Å; L265-K314 HydrophobicContact CD2-CG 3.88Å; T266-K314 WeakPolarHBondContact OG1-CE 3.35Å; T266-K314 PolarHBondContact OG1-NZ 2.89Å; L311-K314 PolarHBondContact O-N 2.87Å; L311-K314 VanDerWaalsContact O-N 3.09Å; K314-A316 VanDerWaalsContact C-N 3.32Å; K314-A316 PolarHBondContact O-N 2.94Å; K314-E317 VanDerWaalsContact CD-OE2 3.32Å; K314-E317 WeakPolarHBondContact CD-OE2 3.23Å; K314-E317 IonicContact NZ-OE2 3.48Å; K314-E317 PolarHBondContact NZ-OE2 3.37Å; K314-E317 WeakPolarHBondContact O-CB 3.31Å; K314-E317 PolarHBondContact O-N 3.18Å; K314-E318 HydrophobicContact CD-CG 4.29Å; K314-E318 VanDerWaalsContact CE-OE1 3.29Å; K314-E318 WeakPolarHBondContact CE-OE1 3.47Å; K314-E318 IonicContact NZ-OE1 2.68Å; K314-E318 PolarHBondContact NZ-OE1 3.42Å; K314-E318 WeakPolarHBondContact O-CG 3.41Å; K314-E318 PolarHBondContact O-N 2.9Å
315	M	98.9	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-46.8	170.8	-72.1	170.7	169.8	0	0	111	L265 V286 E290 L311 Y312 E317 E318 W319 L331	L265-M315 HydrophobicContact CD1-CG 4.25Å; L265-M315 HydrophobicContact CD2-CB 4.45Å; L265-M315 HydrophobicContact CD2-CG 3.63Å; V286-M315 HydrophobicContact CG1-CE 3.96Å; V286-M315 HydrophobicContact CG2-CE 4.01Å; V286-M315 HydrophobicContact CG2-SD 3.76Å; E290-M315 HydrophobicContact CB-CE 3.8Å; E290-M315 HydrophobicContact CG-CE 3.53Å; L311-M315 HydrophobicContact CD1-CE 3.73Å; L311-M315 HydrophobicContact CD2-CE 3.93Å; L311-M315 HydrophobicContact CG-CE 3.65Å; L311-M315 HydrophobicContact CG-SD 4.08Å; L311-M315 WeakPolarHBondContact O-CG 3.5Å; L311-M315 PolarHBondContact O-N 3.07Å; Y312-M315 HydrophobicContact CD1-SD 4.02Å; M315-E317 VanDerWaalsContact C-N 3.27Å; M315-E317 PolarHBondContact O-N 2.91Å; M315-E318 PolarHBondContact O-N 3.06Å; M315-W319 HydrophobicContact CB-CD2 4.06Å; M315-W319 HydrophobicContact CB-CE3 3.8Å; M315-W319 HydrophobicContact CB-CH2 4.06Å; M315-W319 HydrophobicContact CB-CZ2 4.3Å; M315-W319 HydrophobicContact CB-CZ3 3.81Å; M315-W319 HydrophobicContact CE-CH2 4.03Å; M315-W319 HydrophobicContact CE-CZ2 4.49Å; M315-W319 HydrophobicContact CG-CE3 4.38Å; M315-W319 HydrophobicContact CG-CH2 3.72Å; M315-W319 HydrophobicContact CG-CZ2 3.91Å; M315-W319 HydrophobicContact CG-CZ3 3.98Å; M315-W319 WeakPolarHBondContact O-CB 3.42Å; M315-W319 PolarHBondContact O-N 3.34Å; M315-W319 HydrophobicContact SD-CH2 3.75Å; M315-W319 HydrophobicContact SD-CZ2 4.46Å; M315-W319 HydrophobicContact SD-CZ3 3.99Å; M315-L331 HydrophobicContact CB-CD2 4.28Å
316	A	98.9	Very high	98.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-31.2	178.4	0	0	0	0	0	113.2	Y312 N313 K314 A320 L328 L331 R332	Y312-A316 WeakPolarHBondContact O-CB 3.36Å; Y312-A316 PolarHBondContact O-N 3.48Å; N313-A316 PolarHBondContact O-N 3.27Å; K314-A316 VanDerWaalsContact C-N 3.32Å; K314-A316 PolarHBondContact O-N 2.94Å; A316-A320 WeakPolarHBondContact O-CB 3.23Å; A316-A320 PolarHBondContact O-N 3.35Å; A316-L328 HydrophobicContact CB-CB 4.5Å; A316-L328 HydrophobicContact CB-CD2 4.07Å; A316-L328 WeakPolarHBondContact O-CD2 3.04Å; A316-L331 HydrophobicContact CB-CD2 3.98Å; A316-R332 HydrophobicContact CB-CG 3.51Å
317	E	98.8	Very high	98.4	Very high	122 Å²	122	40.1 Å²	40.1	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-67.6	-53.6	171.9	-71.3	168.5	-166.1	0	0	111.9	N313 K314 M315 W319	N313-E317 WeakPolarHBondContact O-CG 3.28Å; N313-E317 PolarHBondContact O-N 3.03Å; K314-E317 VanDerWaalsContact CD-OE2 3.32Å; K314-E317 WeakPolarHBondContact CD-OE2 3.23Å; K314-E317 IonicContact NZ-OE2 3.48Å; K314-E317 PolarHBondContact NZ-OE2 3.37Å; K314-E317 WeakPolarHBondContact O-CB 3.31Å; K314-E317 PolarHBondContact O-N 3.18Å; M315-E317 VanDerWaalsContact C-N 3.27Å; M315-E317 PolarHBondContact O-N 2.91Å; E317-W319 VanDerWaalsContact C-N 3.34Å; E317-W319 PolarHBondContact O-N 3.09Å
318	E	98.5	Very high	98.5	Very high	22 Å²	22	39.4 Å²	39.4	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-71.3	-29.6	-174.7	-61.4	-63.1	161.9	0	0	112.5	T266 K314 M315 Q321	T266-E318 WeakPolarHBondContact CG2-OE1 3.32Å; T266-E318 VanDerWaalsContact OG1-CD 3.27Å; T266-E318 PolarHBondContact OG1-OE1 3.06Å; K314-E318 HydrophobicContact CD-CG 4.29Å; K314-E318 VanDerWaalsContact CE-OE1 3.29Å; K314-E318 WeakPolarHBondContact CE-OE1 3.47Å; K314-E318 IonicContact NZ-OE1 2.68Å; K314-E318 PolarHBondContact NZ-OE1 3.42Å; K314-E318 WeakPolarHBondContact O-CG 3.41Å; K314-E318 PolarHBondContact O-N 2.9Å; M315-E318 PolarHBondContact O-N 3.06Å; E318-Q321 PolarHBondContact O-NE2 3.13Å
319	W	98.7	Very high	98.5	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.015	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-1	-177.5	-54.1	-17.3	0	0	0	113.7	W244 L265 S269 P284 V286 M315 E317 Q321 W322 L323 L331	W244-W319 AromaticContact CZ3-NE1 3.77Å; L265-W319 HydrophobicContact CD1-CZ2 3.79Å; S269-W319 PolarHBondContact OG-NE1 3.14Å; P284-W319 HydrophobicContact CB-CD2 4.09Å; P284-W319 HydrophobicContact CB-CE3 4.06Å; P284-W319 HydrophobicContact CB-CH2 3.81Å; P284-W319 HydrophobicContact CB-CZ2 3.82Å; P284-W319 HydrophobicContact CB-CZ3 3.93Å; P284-W319 HydrophobicContact CG-CB 4.45Å; P284-W319 HydrophobicContact CG-CD2 3.35Å; P284-W319 HydrophobicContact CG-CE3 3.31Å; P284-W319 HydrophobicContact CG-CG 3.87Å; P284-W319 HydrophobicContact CG-CH2 4.01Å; P284-W319 HydrophobicContact CG-CZ2 4.05Å; P284-W319 HydrophobicContact CG-CZ3 3.65Å; V286-W319 HydrophobicContact CG2-CH2 4.36Å; V286-W319 HydrophobicContact CG2-CZ3 4.47Å; M315-W319 HydrophobicContact CB-CD2 4.06Å; M315-W319 HydrophobicContact CB-CE3 3.8Å; M315-W319 HydrophobicContact CB-CH2 4.06Å; M315-W319 HydrophobicContact CB-CZ2 4.3Å; M315-W319 HydrophobicContact CB-CZ3 3.81Å; M315-W319 HydrophobicContact CE-CH2 4.03Å; M315-W319 HydrophobicContact CE-CZ2 4.49Å; M315-W319 HydrophobicContact CG-CE3 4.38Å; M315-W319 HydrophobicContact CG-CH2 3.72Å; M315-W319 HydrophobicContact CG-CZ2 3.91Å; M315-W319 HydrophobicContact CG-CZ3 3.98Å; M315-W319 WeakPolarHBondContact O-CB 3.42Å; M315-W319 PolarHBondContact O-N 3.34Å; M315-W319 HydrophobicContact SD-CH2 3.75Å; M315-W319 HydrophobicContact SD-CZ2 4.46Å; M315-W319 HydrophobicContact SD-CZ3 3.99Å; E317-W319 VanDerWaalsContact C-N 3.34Å; E317-W319 PolarHBondContact O-N 3.09Å; W319-Q321 PolarHBondContact O-N 3.04Å; W319-Q321 VanDerWaalsContact O-N 3.1Å; W319-W322 HydrophobicContact CB-CE3 4.16Å; W319-W322 AromaticContact CD1-CE3 3.98Å; W319-W322 AromaticContact CD1-CZ3 3.55Å; W319-W322 HydrophobicContact CG-CE3 4.22Å; W319-W322 HydrophobicContact CG-CZ3 4.21Å; W319-W322 PolarHBondContact O-N 3.04Å; W319-L323 HydrophobicContact CB-CD1 3.98Å; W319-L323 HydrophobicContact CB-CG 4.35Å; W319-L323 HydrophobicContact CE3-CD1 4.39Å; W319-L323 PolarHBondContact O-N 3.44Å; W319-L331 HydrophobicContact CE3-CD1 4.04Å; W319-L331 HydrophobicContact CE3-CD2 3.68Å; W319-L331 HydrophobicContact CZ3-CD1 3.76Å; W319-L331 HydrophobicContact CZ3-CD2 4.26Å
320	A	98.3	Very high	98.5	Very high	51 Å²	51	45.3 Å²	45.3	42%	0.421	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.3	177.1	0	0	0	0	0	114	A316 W322 L328	A316-A320 WeakPolarHBondContact O-CB 3.23Å; A316-A320 PolarHBondContact O-N 3.35Å; A320-W322 VanDerWaalsContact C-N 3.25Å; A320-W322 PolarHBondContact O-N 3.4Å; A320-L328 HydrophobicContact CB-CD1 3.78Å
321	Q	96.4	Very high	98.5	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.35	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.5	173	56.2	173	-50.9	0	0	113.9	E318 W319	E318-Q321 PolarHBondContact O-NE2 3.13Å; W319-Q321 PolarHBondContact O-N 3.04Å; W319-Q321 VanDerWaalsContact O-N 3.1Å
322	W	98.5	Very high	98.5	Very high	21 Å²	21	47.4 Å²	47.4	8%	0.08	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-25.2	-176.7	-55.7	-43.9	0	0	0	112.7	W244 I272 Q273 T281 V282 W319 A320	W244-W322 HydrophobicContact CE3-CZ3 4.31Å; W244-W322 HydrophobicContact CZ3-CH2 4.33Å; W244-W322 HydrophobicContact CZ3-CZ3 4.12Å; I272-W322 HydrophobicContact CB-CH2 4.48Å; I272-W322 HydrophobicContact CG2-CH2 4.14Å; I272-W322 HydrophobicContact CG2-CZ2 4.11Å; Q273-W322 HydrophobicContact CB-CZ2 4.15Å; T281-W322 HydrophobicContact CG2-CB 4.04Å; V282-W322 HydrophobicContact CB-CD2 3.63Å; V282-W322 HydrophobicContact CB-CE3 3.82Å; V282-W322 HydrophobicContact CB-CG 4.11Å; V282-W322 HydrophobicContact CB-CH2 4.16Å; V282-W322 HydrophobicContact CB-CZ2 3.99Å; V282-W322 HydrophobicContact CB-CZ3 4.07Å; V282-W322 HydrophobicContact CG1-CE3 4.35Å; V282-W322 HydrophobicContact CG1-CH2 4.41Å; V282-W322 HydrophobicContact CG1-CZ3 4.24Å; V282-W322 HydrophobicContact CG2-CD2 4.14Å; V282-W322 HydrophobicContact CG2-CH2 4.28Å; V282-W322 HydrophobicContact CG2-CZ2 3.76Å; V282-W322 WeakPolarHBondContact O-CB 3.46Å; W319-W322 HydrophobicContact CB-CE3 4.16Å; W319-W322 AromaticContact CD1-CE3 3.98Å; W319-W322 AromaticContact CD1-CZ3 3.55Å; W319-W322 HydrophobicContact CG-CE3 4.22Å; W319-W322 HydrophobicContact CG-CZ3 4.21Å; W319-W322 PolarHBondContact O-N 3.04Å; A320-W322 VanDerWaalsContact C-N 3.25Å; A320-W322 PolarHBondContact O-N 3.4Å
323	L	98.7	Very high	98.5	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	-113.7	132.7	-170.1	-55.2	-177.4	0	0	0	111.3	Y283 W319 A327 L328 L331 Y337 L339	Y283-L323 HydrophobicContact CD1-CD2 4.12Å; W319-L323 HydrophobicContact CB-CD1 3.98Å; W319-L323 HydrophobicContact CB-CG 4.35Å; W319-L323 HydrophobicContact CE3-CD1 4.39Å; W319-L323 PolarHBondContact O-N 3.44Å; L323-A327 HydrophobicContact CB-CB 4.27Å; L323-L328 HydrophobicContact CB-CD2 3.74Å; L323-L328 HydrophobicContact CB-CG 4.17Å; L323-L328 HydrophobicContact CD1-CD2 4.19Å; L323-L331 HydrophobicContact CD1-CD2 4.06Å; L323-Y337 HydrophobicContact CD1-CD1 4.1Å; L323-Y337 HydrophobicContact CD1-CE1 3.74Å; L323-Y337 HydrophobicContact CD1-CE2 4.34Å; L323-Y337 HydrophobicContact CD2-CD2 4.29Å; L323-Y337 HydrophobicContact CD2-CE1 4.34Å; L323-Y337 HydrophobicContact CD2-CE2 3.59Å; L323-L339 HydrophobicContact CD2-CD2 3.64Å
324	P	98.4	Very high	98.5	Very high	67 Å²	67	49.5 Å²	49.5	44%	0.435	24%	0.236	S	C	.	.			trans	-70.5	159	174.6	31.5	-35.4	0	0	0	111.1	Q326 A327 L328 L339	P324-Q326 PolarHBondContact O-N 2.72Å; P324-A327 HydrophobicContact CG-CB 4.07Å; P324-A327 WeakPolarHBondContact O-CA 3.47Å; P324-A327 WeakPolarHBondContact O-CB 3.13Å; P324-A327 PolarHBondContact O-N 2.96Å; P324-L328 PolarHBondContact O-N 2.88Å; P324-L339 HydrophobicContact CG-CB 4.29Å; P324-L339 HydrophobicContact CG-CD2 4.34Å
325	E	98.3	Very high	98.5	Very high	116 Å²	116	47.4 Å²	47.4	54%	0.542	23%	0.227	S	C	.	.	H	α-helix	trans	-54.6	-34.8	-175.9	-173.9	56.2	-144	0	0	113.6	A327 L328 K329 R332	E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 3.09Å; E325-L328 PolarHBondContact O-N 2.77Å; E325-K329 PolarHBondContact O-N 2.87Å; E325-R332 IonicContact OE1-CZ 2.8Å; E325-R332 IonicContact OE1-NH1 3.9Å; E325-R332 PolarHBondContact OE1-NH1 3.23Å; E325-R332 IonicContact OE1-NH2 3.58Å; E325-R332 IonicContact OE2-NH1 3.68Å; E325-R332 IonicContact OE2-NH2 3.23Å
326	Q	98	Very high	98.5	Very high	135 Å²	135	47.6 Å²	47.6	63%	0.631	23%	0.228	S	C	*	.	H	α-helix	trans	-63.7	-36.6	177.2	-174.4	59.4	32.8	0	0	112.6	P324	P324-Q326 PolarHBondContact O-N 2.72Å
327	A	98.8	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-73.4	-40.4	173.7	0	0	0	0	0	110.9	L323 P324 E325 K329 T330 L331 Y337 L339	L323-A327 HydrophobicContact CB-CB 4.27Å; P324-A327 HydrophobicContact CG-CB 4.07Å; P324-A327 WeakPolarHBondContact O-CA 3.47Å; P324-A327 WeakPolarHBondContact O-CB 3.13Å; P324-A327 PolarHBondContact O-N 2.96Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 3.09Å; A327-K329 PolarHBondContact O-N 2.83Å; A327-T330 PolarHBondContact O-N 2.99Å; A327-T330 PolarHBondContact O-OG1 3.31Å; A327-T330 VanDerWaalsContact O-OG1 3.14Å; A327-L331 WeakPolarHBondContact O-CB 3.37Å; A327-L331 PolarHBondContact O-N 3.45Å; A327-Y337 HydrophobicContact CB-CD2 3.85Å; A327-Y337 HydrophobicContact CB-CG 4.06Å; A327-Y337 WeakPolarHBondContact O-CB 3.46Å; A327-L339 HydrophobicContact CB-CD2 4.26Å
328	L	98.9	Very high	98.5	Very high	5 Å²	5	43 Å²	43	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-32.8	175.8	-62.6	178.4	0	0	0	112.3	A316 A320 L323 P324 E325 L331 R332	A316-L328 HydrophobicContact CB-CB 4.5Å; A316-L328 HydrophobicContact CB-CD2 4.07Å; A316-L328 WeakPolarHBondContact O-CD2 3.04Å; A320-L328 HydrophobicContact CB-CD1 3.78Å; L323-L328 HydrophobicContact CB-CD2 3.74Å; L323-L328 HydrophobicContact CB-CG 4.17Å; L323-L328 HydrophobicContact CD1-CD2 4.19Å; P324-L328 PolarHBondContact O-N 2.88Å; E325-L328 PolarHBondContact O-N 2.77Å; L328-L331 HydrophobicContact CD2-CD2 4.03Å; L328-L331 PolarHBondContact O-N 3.44Å; L328-R332 WeakPolarHBondContact O-CG 3.12Å; L328-R332 PolarHBondContact O-N 2.8Å
329	K	98.6	Very high	98.5	Very high	138 Å²	138	42.8 Å²	42.8	60%	0.6	21%	0.208	S	C	*	.	H	α-helix	trans	-62.9	-47.6	177.6	-173	178.4	179.8	-179.6	0	112.8	E325 A327 Y333	E325-K329 PolarHBondContact O-N 2.87Å; A327-K329 PolarHBondContact O-N 2.83Å; K329-Y333 PolarHBondContact O-N 3.43Å
330	T	98.7	Very high	98.5	Very high	27 Å²	27	46.8 Å²	46.8	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-74.2	-31.9	177.7	56.2	0	0	0	0	111.4	A327 Y333 G334 F336 Y337	A327-T330 PolarHBondContact O-N 2.99Å; A327-T330 PolarHBondContact O-OG1 3.31Å; A327-T330 VanDerWaalsContact O-OG1 3.14Å; T330-Y333 WeakPolarHBondContact O-CB 3.4Å; T330-Y333 PolarHBondContact O-N 3.45Å; T330-Y333 VanDerWaalsContact O-N 3.12Å; T330-G334 PolarHBondContact O-N 3.34Å; T330-F336 CarbonylContact C-O 3.57Å; T330-F336 WeakPolarHBondContact CB-O 3.47Å; T330-F336 PolarHBondContact OG1-O 2.92Å; T330-Y337 WeakPolarHBondContact OG1-CA 3.43Å; T330-Y337 WeakPolarHBondContact OG1-CB 3.34Å
331	L	98.9	Very high	98.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-49.1	172.2	178	67.6	0	0	0	110.9	M315 A316 W319 L323 A327 L328 Y333 G335 F336 Y337	M315-L331 HydrophobicContact CB-CD2 4.28Å; A316-L331 HydrophobicContact CB-CD2 3.98Å; W319-L331 HydrophobicContact CE3-CD1 4.04Å; W319-L331 HydrophobicContact CE3-CD2 3.68Å; W319-L331 HydrophobicContact CZ3-CD1 3.76Å; W319-L331 HydrophobicContact CZ3-CD2 4.26Å; L323-L331 HydrophobicContact CD1-CD2 4.06Å; A327-L331 WeakPolarHBondContact O-CB 3.37Å; A327-L331 PolarHBondContact O-N 3.45Å; L328-L331 HydrophobicContact CD2-CD2 4.03Å; L328-L331 PolarHBondContact O-N 3.44Å; L331-Y333 PolarHBondContact O-N 3.26Å; L331-G335 WeakPolarHBondContact O-CA 3.08Å; L331-G335 PolarHBondContact O-N 3.35Å; L331-F336 PolarHBondContact N-O 2.72Å; L331-F336 VanDerWaalsContact N-O 3.1Å; L331-Y337 HydrophobicContact CD1-CD1 4.35Å
332	R	98.8	Very high	98.4	Very high	87 Å²	87	43.8 Å²	43.8	33%	0.328	21%	0.205	S	C	.	.	H	α-helix	trans	-62.5	-30.9	175.5	-69.7	-177.5	-163.3	108.6	-1.6	113	A316 E325 L328	A316-R332 HydrophobicContact CB-CG 3.51Å; E325-R332 IonicContact OE1-CZ 2.8Å; E325-R332 IonicContact OE1-NH1 3.9Å; E325-R332 PolarHBondContact OE1-NH1 3.23Å; E325-R332 IonicContact OE1-NH2 3.58Å; E325-R332 IonicContact OE2-NH1 3.68Å; E325-R332 IonicContact OE2-NH2 3.23Å; L328-R332 WeakPolarHBondContact O-CG 3.12Å; L328-R332 PolarHBondContact O-N 2.8Å
333	Y	98.5	Very high	98.3	Very high	118 Å²	118	47.3 Å²	47.3	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-74.1	-45.6	-179.4	176.8	-107.4	0	0	0	112.8	P300 K329 T330 L331 F336 A370	P300-Y333 HydrophobicContact CB-CD2 4.45Å; P300-Y333 HydrophobicContact CB-CE2 3.77Å; P300-Y333 HydrophobicContact CG-CE1 4.04Å; P300-Y333 HydrophobicContact CG-CE2 4.08Å; K329-Y333 PolarHBondContact O-N 3.43Å; T330-Y333 WeakPolarHBondContact O-CB 3.4Å; T330-Y333 PolarHBondContact O-N 3.45Å; T330-Y333 VanDerWaalsContact O-N 3.12Å; L331-Y333 PolarHBondContact O-N 3.26Å; Y333-F336 HydrophobicContact CD1-CE1 4.49Å; Y333-F336 HydrophobicContact CD1-CZ 4.12Å; Y333-F336 HydrophobicContact CE1-CZ 4.41Å; Y333-A370 HydrophobicContact CE1-CB 4.15Å
334	G	98.4	Very high	98.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-151.2	10	-170.7	0	0	0	0	0	116.1	T330 F336 N351 F354	T330-G334 PolarHBondContact O-N 3.34Å; G334-F336 VanDerWaalsContact C-N 3.33Å; G334-F336 WeakPolarHBondContact O-CD1 3.38Å; G334-F336 PolarHBondContact O-N 2.89Å; G334-N351 WeakPolarHBondContact O-CB 3.07Å; G334-N351 PolarHBondContact O-ND2 3.08Å; G334-F354 WeakPolarHBondContact O-CE2 3.39Å
335	G	98.8	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	78.6	12.6	178.7	0	0	0	0	0	114.7	V286 L331	V286-G335 WeakPolarHBondContact CG2-O 3.44Å; L331-G335 WeakPolarHBondContact O-CA 3.08Å; L331-G335 PolarHBondContact O-N 3.35Å
336	F	98.9	Very high	98.3	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.018	20%	0.202	C	C	.	.			trans	-129.7	155.4	-179.2	60.1	-97.8	0	0	0	111.7	T330 L331 Y333 G334 S349 N351 F354 A370 Q372 W375	T330-F336 CarbonylContact C-O 3.57Å; T330-F336 WeakPolarHBondContact CB-O 3.47Å; T330-F336 PolarHBondContact OG1-O 2.92Å; L331-F336 PolarHBondContact N-O 2.72Å; L331-F336 VanDerWaalsContact N-O 3.1Å; Y333-F336 HydrophobicContact CD1-CE1 4.49Å; Y333-F336 HydrophobicContact CD1-CZ 4.12Å; Y333-F336 HydrophobicContact CE1-CZ 4.41Å; G334-F336 VanDerWaalsContact C-N 3.33Å; G334-F336 WeakPolarHBondContact O-CD1 3.38Å; G334-F336 PolarHBondContact O-N 2.89Å; F336-S349 CarbonylContact C-O 3.54Å; F336-S349 VanDerWaalsContact CA-O 3.27Å; F336-S349 WeakPolarHBondContact CA-O 3.2Å; F336-S349 WeakPolarHBondContact CB-O 3.31Å; F336-N351 HydrophobicContact CB-CB 4.34Å; F336-N351 HydrophobicContact CD1-CB 4.48Å; F336-F354 HydrophobicContact CD1-CE2 4.36Å; F336-F354 HydrophobicContact CE1-CE2 4.33Å; F336-A370 HydrophobicContact CE1-CB 3.75Å; F336-A370 HydrophobicContact CZ-CB 4.34Å; F336-Q372 VanDerWaalsContact CB-OE1 3.3Å; F336-Q372 HydrophobicContact CD1-CB 4.37Å; F336-Q372 HydrophobicContact CD1-CG 4.04Å; F336-Q372 HydrophobicContact CE1-CB 4.12Å; F336-Q372 HydrophobicContact CE1-CG 4.26Å; F336-Q372 HydrophobicContact CG-CG 4.21Å; F336-Q372 HydrophobicContact CZ-CB 4.43Å; F336-W375 HydrophobicContact CB-CZ3 4.49Å; F336-W375 AromaticContact CD2-CD2 3.86Å; F336-W375 HydrophobicContact CD2-CD2 3.86Å; F336-W375 AromaticContact CD2-CE3 3.63Å; F336-W375 HydrophobicContact CD2-CE3 3.63Å; F336-W375 AromaticContact CD2-CH2 3.75Å; F336-W375 HydrophobicContact CD2-CH2 3.75Å; F336-W375 AromaticContact CD2-CZ2 3.97Å; F336-W375 HydrophobicContact CD2-CZ2 3.97Å; F336-W375 AromaticContact CD2-CZ3 3.59Å; F336-W375 HydrophobicContact CD2-CZ3 3.59Å; F336-W375 AromaticContact CE2-CD2 3.64Å; F336-W375 HydrophobicContact CE2-CD2 3.64Å; F336-W375 AromaticContact CE2-CE2 3.97Å; F336-W375 AromaticContact CE2-CE3 3.78Å; F336-W375 HydrophobicContact CE2-CE3 3.78Å; F336-W375 AromaticContact CE2-CG 3.99Å; F336-W375 HydrophobicContact CE2-CG 3.99Å; F336-W375 HydrophobicContact CE2-CH2 4.48Å; F336-W375 HydrophobicContact CE2-CZ2 4.37Å; F336-W375 HydrophobicContact CE2-CZ3 4.22Å; F336-W375 HydrophobicContact CG-CZ3 4.36Å
337	Y	98.9	Very high	98.4	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	168.8	-179.6	68.4	-93.4	0	0	0	113.6	Y283 P284 L323 A327 T330 L331 L339 S349 W375	Y283-Y337 VanDerWaalsContact C-OH 3.23Å; Y283-Y337 VanDerWaalsContact CA-OH 3.23Å; Y283-Y337 WeakPolarHBondContact CA-OH 3.43Å; Y283-Y337 WeakPolarHBondContact CB-OH 3.5Å; P284-Y337 VanDerWaalsContact CD-OH 3.26Å; P284-Y337 WeakPolarHBondContact CD-OH 3.03Å; P284-Y337 VanDerWaalsContact N-OH 3.1Å; P284-Y337 VanDerWaalsContact O-CE1 3.23Å; P284-Y337 WeakPolarHBondContact O-CE1 3.2Å; P284-Y337 PolarHBondContact O-OH 2.78Å; L323-Y337 HydrophobicContact CD1-CD1 4.1Å; L323-Y337 HydrophobicContact CD1-CE1 3.74Å; L323-Y337 HydrophobicContact CD1-CE2 4.34Å; L323-Y337 HydrophobicContact CD2-CD2 4.29Å; L323-Y337 HydrophobicContact CD2-CE1 4.34Å; L323-Y337 HydrophobicContact CD2-CE2 3.59Å; A327-Y337 HydrophobicContact CB-CD2 3.85Å; A327-Y337 HydrophobicContact CB-CG 4.06Å; A327-Y337 WeakPolarHBondContact O-CB 3.46Å; T330-Y337 WeakPolarHBondContact OG1-CA 3.43Å; T330-Y337 WeakPolarHBondContact OG1-CB 3.34Å; L331-Y337 HydrophobicContact CD1-CD1 4.35Å; Y337-L339 HydrophobicContact CD2-CD2 4.11Å; Y337-L339 HydrophobicContact CE2-CD2 3.86Å; Y337-S349 VanDerWaalsContact CE1-CB 3.46Å; Y337-S349 PolarHBondContact N-O 2.96Å; Y337-S349 PolarHBondContact O-N 2.87Å; Y337-W375 WeakPolarHBondContact O-CH2 3.27Å
338	T	98.9	Very high	98.4	Very high	25 Å²	25	34.9 Å²	34.9	15%	0.153	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.6	170.7	-176.1	0	0	0	0	111.5	R346 V347 W375 V379	T338-R346 WeakPolarHBondContact OG1-CD 3.48Å; T338-R346 WeakPolarHBondContact OG1-CG 3.1Å; T338-R346 PolarHBondContact OG1-NH1 3.18Å; T338-V347 WeakPolarHBondContact CA-O 3.43Å; T338-V347 WeakPolarHBondContact CB-O 3.4Å; T338-V347 PolarHBondContact OG1-O 3.47Å; T338-W375 HydrophobicContact CG2-CH2 4.42Å; T338-W375 HydrophobicContact CG2-CZ2 3.72Å; T338-V379 HydrophobicContact CG2-CG1 4.12Å; T338-V379 HydrophobicContact CG2-CG2 3.9Å
339	L	98.6	Very high	98.4	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.089	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	162.3	171.5	62.4	91.8	0	0	0	110.3	Y283 L323 P324 A327 Y337 R346 V347	Y283-L339 HydrophobicContact CD1-CD1 4.16Å; Y283-L339 HydrophobicContact CD1-CD2 4.02Å; Y283-L339 HydrophobicContact CD1-CG 4.48Å; Y283-L339 HydrophobicContact CE1-CD1 3.45Å; Y283-L339 VanDerWaalsContact CE1-CD1 3.45Å; Y283-L339 HydrophobicContact CE1-CD2 3.89Å; Y283-L339 HydrophobicContact CE1-CG 4.19Å; L323-L339 HydrophobicContact CD2-CD2 3.64Å; P324-L339 HydrophobicContact CG-CB 4.29Å; P324-L339 HydrophobicContact CG-CD2 4.34Å; A327-L339 HydrophobicContact CB-CD2 4.26Å; Y337-L339 HydrophobicContact CD2-CD2 4.11Å; Y337-L339 HydrophobicContact CE2-CD2 3.86Å; L339-R346 WeakPolarHBondContact O-CA 3.47Å; L339-R346 WeakPolarHBondContact O-CG 3.5Å; L339-V347 HydrophobicContact CD1-CG1 3.94Å; L339-V347 HydrophobicContact CG-CG1 3.83Å; L339-V347 PolarHBondContact N-O 3.44Å; L339-V347 PolarHBondContact O-N 3.44Å
340	E	98.3	Very high	98.4	Very high	89 Å²	89	28.1 Å²	28.1	42%	0.416	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.3	172	-173.2	172.4	-162.7	0	0	109.8	Q342 P343 G344 L345	E340-Q342 WeakPolarHBondContact CG-O 3.12Å; E340-P343 WeakPolarHBondContact OE1-CA 3.25Å; E340-G344 PolarHBondContact OE1-N 3.28Å; E340-L345 CarbonylContact C-O 3.51Å
341	I	97.3	Very high	98.4	Very high	24 Å²	24	26.8 Å²	26.8	12%	0.123	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-48.8	177.7	-60.9	177.4	0	0	0	108.8	W241 Y243 Y283 L345 V347	W241-I341 HydrophobicContact CD2-CD1 4.45Å; W241-I341 HydrophobicContact CD2-CG2 3.83Å; W241-I341 HydrophobicContact CE3-CG2 3.73Å; W241-I341 HydrophobicContact CG-CG2 4.24Å; W241-I341 HydrophobicContact CZ2-CD1 4.47Å; W241-I341 HydrophobicContact CZ3-CG2 4.24Å; Y243-I341 HydrophobicContact CE1-CD1 4.06Å; Y243-I341 VanDerWaalsContact OH-CD1 3.31Å; Y243-I341 WeakPolarHBondContact OH-CD1 3.01Å; Y283-I341 HydrophobicContact CD2-CD1 4.28Å; Y283-I341 HydrophobicContact CD2-CG1 4.36Å; Y283-I341 HydrophobicContact CE2-CB 4.36Å; Y283-I341 HydrophobicContact CE2-CD1 3.95Å; Y283-I341 HydrophobicContact CE2-CG1 3.7Å; Y283-I341 HydrophobicContact CE2-CG2 3.92Å; I341-L345 HydrophobicContact CD1-CD2 4.21Å; I341-L345 HydrophobicContact CD1-CG 4.34Å; I341-L345 PolarHBondContact N-O 3.17Å; I341-V347 HydrophobicContact CD1-CB 3.75Å; I341-V347 HydrophobicContact CD1-CG1 4.18Å; I341-V347 HydrophobicContact CG1-CB 3.9Å; I341-V347 HydrophobicContact CG1-CG1 3.82Å
342	Q	96.3	Very high	98.4	Very high	39 Å²	39	26.8 Å²	26.8	18%	0.182	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.8	-178.1	-74.3	176.9	2.7	0	0	108.1	E340 G344 L345 N473	E340-Q342 WeakPolarHBondContact CG-O 3.12Å; Q342-G344 PolarHBondContact O-N 2.03Å; Q342-L345 PolarHBondContact N-O 2.75Å; Q342-L345 PolarHBondContact O-N 2.87Å; Q342-L345 VanDerWaalsContact O-O 3.13Å; Q342-N473 PolarHBondContact OE1-ND2 3.02Å
343	P	96.3	Very high	98.4	Very high	94 Å²	94	22.7 Å²	22.7	61%	0.61	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.9	114.8	175.8	-33.1	37.9	0	0	0	113.5	E340 R479	E340-P343 WeakPolarHBondContact OE1-CA 3.25Å; P343-R479 PolarHBondContact O-NH2 2.88Å
344	G	97.3	Very high	98.4	Very high	28 Å²	28	17.1 Å²	17.1	29%	0.289	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	6.4	177.7	0	0	0	0	0	115.9	E340 Q342 E388 K389	E340-G344 PolarHBondContact OE1-N 3.28Å; Q342-G344 PolarHBondContact O-N 2.03Å; G344-E388 WeakPolarHBondContact O-CA 3.48Å; G344-K389 PolarHBondContact O-N 2.84Å
345	L	98.7	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.5	171.9	177.6	62.1	0	0	0	110.8	W241 E340 I341 Q342 K389 R479	W241-L345 HydrophobicContact CH2-CD2 3.91Å; W241-L345 HydrophobicContact CZ2-CD2 4.03Å; E340-L345 CarbonylContact C-O 3.51Å; I341-L345 HydrophobicContact CD1-CD2 4.21Å; I341-L345 HydrophobicContact CD1-CG 4.34Å; I341-L345 PolarHBondContact N-O 3.17Å; Q342-L345 PolarHBondContact N-O 2.75Å; Q342-L345 PolarHBondContact O-N 2.87Å; Q342-L345 VanDerWaalsContact O-O 3.13Å; L345-K389 WeakPolarHBondContact CA-O 3.46Å; L345-K389 HydrophobicContact CD1-CB 4.32Å; L345-R479 HydrophobicContact CB-CG 4.46Å; L345-R479 HydrophobicContact CD1-CB 4.12Å; L345-R479 HydrophobicContact CD1-CG 4.27Å
346	R	98.8	Very high	98.3	Very high	36 Å²	36	17.1 Å²	17.1	14%	0.136	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.3	177.3	172.8	168.8	-64.1	-79.1	-7.1	111.2	T338 L339 V348 S383 E388 K389 V390 H391	T338-R346 WeakPolarHBondContact OG1-CD 3.48Å; T338-R346 WeakPolarHBondContact OG1-CG 3.1Å; T338-R346 PolarHBondContact OG1-NH1 3.18Å; L339-R346 WeakPolarHBondContact O-CA 3.47Å; L339-R346 WeakPolarHBondContact O-CG 3.5Å; R346-V348 HydrophobicContact CG-CG2 4.48Å; R346-S383 WeakPolarHBondContact CD-OG 3.33Å; R346-E388 IonicContact CZ-OE2 2.83Å; R346-E388 IonicContact NE-OE2 2.78Å; R346-E388 PolarHBondContact NE-OE2 3.37Å; R346-E388 IonicContact NH2-OE1 3.83Å; R346-E388 IonicContact NH2-OE2 3.27Å; R346-K389 PolarHBondContact N-O 3.2Å; R346-V390 HydrophobicContact CB-CG2 4.3Å; R346-V390 CarbonylContact O-C 3.16Å; R346-V390 WeakPolarHBondContact O-CA 3.17Å; R346-H391 PolarHBondContact O-N 2.71Å
347	V	98.9	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.2	166	63.4	0	0	0	0	110.3	Y243 Y283 T338 L339 I341 H391 I393	Y243-V347 HydrophobicContact CE1-CG2 4.1Å; Y283-V347 HydrophobicContact CD1-CG1 4.19Å; Y283-V347 HydrophobicContact CG-CG1 4.17Å; T338-V347 WeakPolarHBondContact CA-O 3.43Å; T338-V347 WeakPolarHBondContact CB-O 3.4Å; T338-V347 PolarHBondContact OG1-O 3.47Å; L339-V347 HydrophobicContact CD1-CG1 3.94Å; L339-V347 HydrophobicContact CG-CG1 3.83Å; L339-V347 PolarHBondContact N-O 3.44Å; L339-V347 PolarHBondContact O-N 3.44Å; I341-V347 HydrophobicContact CD1-CB 3.75Å; I341-V347 HydrophobicContact CD1-CG1 4.18Å; I341-V347 HydrophobicContact CG1-CB 3.9Å; I341-V347 HydrophobicContact CG1-CG1 3.82Å; V347-H391 CarbonylContact C-O 3.58Å; V347-H391 WeakPolarHBondContact CA-O 2.92Å; V347-I393 HydrophobicContact CG2-CD1 4.06Å; V347-I393 HydrophobicContact CG2-CG1 4.06Å; V347-I393 HydrophobicContact CG2-CG2 4.37Å
348	V	99	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.8	168.1	179.9	0	0	0	0	107.4	R346 L350 W375 L376 V379 V390 H391 I392 I393	R346-V348 HydrophobicContact CG-CG2 4.48Å; V348-L350 HydrophobicContact CG1-CD2 3.78Å; V348-L350 HydrophobicContact CG1-CG 4.19Å; V348-W375 HydrophobicContact CG1-CH2 3.72Å; V348-W375 HydrophobicContact CG1-CZ3 3.67Å; V348-L376 HydrophobicContact CG1-CD1 3.83Å; V348-V379 HydrophobicContact CG2-CG1 3.72Å; V348-V390 HydrophobicContact CB-CG1 4.41Å; V348-V390 HydrophobicContact CG2-CG1 3.73Å; V348-H391 PolarHBondContact N-O 2.9Å; V348-I392 HydrophobicContact CB-CG1 4.46Å; V348-I392 CarbonylContact O-C 3.59Å; V348-I392 WeakPolarHBondContact O-CA 3.34Å; V348-I393 PolarHBondContact O-N 3.14Å
349	S	98.9	Very high	97.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116	173.1	-176.8	0	0	0	0	108.9	P284 A285 F336 Y337 I393	P284-S349 WeakPolarHBondContact O-CB 3.32Å; P284-S349 PolarHBondContact O-OG 2.02Å; A285-S349 VanDerWaalsContact CA-OG 3.31Å; A285-S349 WeakPolarHBondContact CA-OG 3.45Å; A285-S349 WeakPolarHBondContact CB-OG 3.47Å; F336-S349 CarbonylContact C-O 3.54Å; F336-S349 VanDerWaalsContact CA-O 3.27Å; F336-S349 WeakPolarHBondContact CA-O 3.2Å; F336-S349 WeakPolarHBondContact CB-O 3.31Å; Y337-S349 VanDerWaalsContact CE1-CB 3.46Å; Y337-S349 PolarHBondContact N-O 2.96Å; Y337-S349 PolarHBondContact O-N 2.87Å; S349-I393 WeakPolarHBondContact CA-O 3.35Å
350	L	99	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.			trans	-98	142	-179.1	-62.9	178.8	0	0	0	111.1	V348 M352 Q372 W375 L376 I392 I393 Y409	V348-L350 HydrophobicContact CG1-CD2 3.78Å; V348-L350 HydrophobicContact CG1-CG 4.19Å; L350-M352 HydrophobicContact CB-CG 4.47Å; L350-M352 HydrophobicContact CB-SD 3.56Å; L350-M352 VanDerWaalsContact CB-SD 3.56Å; L350-M352 HydrophobicContact CD1-SD 4Å; L350-M352 HydrophobicContact CG-SD 4.44Å; L350-M352 PolarHBondContact O-N 2.97Å; L350-Q372 HydrophobicContact CD2-CG 4.07Å; L350-W375 HydrophobicContact CD2-CZ3 3.88Å; L350-L376 HydrophobicContact CD1-CD2 4.28Å; L350-L376 HydrophobicContact CD2-CD1 4.46Å; L350-I392 HydrophobicContact CD1-CG2 3.6Å; L350-I392 HydrophobicContact CG-CG2 4.03Å; L350-I393 PolarHBondContact N-O 2.8Å; L350-Y409 HydrophobicContact CD1-CD2 4.4Å; L350-Y409 HydrophobicContact CD1-CE2 3.69Å
351	N	98.9	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.			trans	-86.4	97.7	165.7	-172.7	-5.4	0	0	0	108.9	Y312 G334 F336 N353 F354 Q372	Y312-N351 PolarHBondContact OH-ND2 3.42Å; G334-N351 WeakPolarHBondContact O-CB 3.07Å; G334-N351 PolarHBondContact O-ND2 3.08Å; F336-N351 HydrophobicContact CB-CB 4.34Å; F336-N351 HydrophobicContact CD1-CB 4.48Å; N351-N353 PolarHBondContact O-N 3.36Å; N351-N353 VanDerWaalsContact OD1-CB 3.28Å; N351-N353 WeakPolarHBondContact OD1-CB 3.49Å; N351-N353 PolarHBondContact OD1-N 2.88Å; N351-N353 PolarHBondContact OD1-ND2 3.28Å; N351-F354 HydrophobicContact CB-CD2 4.23Å; N351-F354 HydrophobicContact CB-CE2 4.29Å; N351-F354 PolarHBondContact O-N 2.96Å; N351-Q372 PolarHBondContact O-NE2 3.46Å; N351-Q372 PolarHBondContact O-OE1 3.39Å
352	M	98.9	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-74.9	-10.2	-176.1	-55.2	-57.7	-72.6	0	0	112.5	L350 F354 C355 A356 I396 P398 W405 F425	L350-M352 HydrophobicContact CB-CG 4.47Å; L350-M352 HydrophobicContact CB-SD 3.56Å; L350-M352 VanDerWaalsContact CB-SD 3.56Å; L350-M352 HydrophobicContact CD1-SD 4Å; L350-M352 HydrophobicContact CG-SD 4.44Å; L350-M352 PolarHBondContact O-N 2.97Å; M352-F354 PolarHBondContact O-N 3.01Å; M352-F354 VanDerWaalsContact O-N 3.14Å; M352-C355 PolarHBondContact O-N 3.13Å; M352-C355 PolarHBondContact O-SG 3.42Å; M352-A356 PolarHBondContact O-N 2.87Å; M352-I396 HydrophobicContact CB-CB 3.85Å; M352-I396 HydrophobicContact CB-CG1 4.3Å; M352-I396 WeakPolarHBondContact CE-O 3.25Å; M352-I396 WeakPolarHBondContact CG-O 3.35Å; M352-P398 HydrophobicContact CE-CG 4.32Å; M352-W405 HydrophobicContact CE-CH2 3.43Å; M352-W405 VanDerWaalsContact CE-CH2 3.43Å; M352-W405 HydrophobicContact CE-CZ2 4.41Å; M352-W405 HydrophobicContact CE-CZ3 3.69Å; M352-W405 HydrophobicContact SD-CH2 3.88Å; M352-W405 HydrophobicContact SD-CZ2 4.44Å; M352-F425 HydrophobicContact CE-CE1 3.72Å; M352-F425 HydrophobicContact CE-CZ 4.38Å; M352-F425 HydrophobicContact CG-CE1 4.2Å; M352-F425 HydrophobicContact SD-CE1 3.99Å
353	N	98.9	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.7	174.3	-63.1	-67.9	0	0	0	113.5	G287 N288 F297 N351 C355 A356 N359	G287-N353 PolarHBondContact O-ND2 3.36Å; N288-N353 WeakPolarHBondContact CA-OD1 3.28Å; N288-N353 WeakPolarHBondContact CB-OD1 3.47Å; F297-N353 HydrophobicContact CB-CB 3.72Å; F297-N353 HydrophobicContact CD1-CB 4.07Å; F297-N353 HydrophobicContact CD2-CB 3.47Å; F297-N353 VanDerWaalsContact CD2-CB 3.47Å; F297-N353 WeakPolarHBondContact CD2-OD1 3.28Å; F297-N353 HydrophobicContact CE2-CB 4.06Å; F297-N353 WeakPolarHBondContact CE2-OD1 3.21Å; F297-N353 HydrophobicContact CG-CB 3.47Å; F297-N353 VanDerWaalsContact CG-CB 3.47Å; F297-N353 WeakPolarHBondContact CZ-ND2 3.33Å; N351-N353 PolarHBondContact O-N 3.36Å; N351-N353 VanDerWaalsContact OD1-CB 3.28Å; N351-N353 WeakPolarHBondContact OD1-CB 3.49Å; N351-N353 PolarHBondContact OD1-N 2.88Å; N351-N353 PolarHBondContact OD1-ND2 3.28Å; N353-C355 PolarHBondContact O-N 2.98Å; N353-A356 PolarHBondContact O-N 3.3Å; N353-N359 WeakPolarHBondContact O-CB 3.22Å; N353-N359 PolarHBondContact O-ND2 3.48Å
354	F	98.8	Very high	97.8	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-77.8	-3.5	172.2	-65.6	-31.4	0	0	0	114	P299 G334 F336 N351 M352 L362 P369 A370	P299-F354 HydrophobicContact CB-CE1 4.29Å; P299-F354 HydrophobicContact CG-CD1 4.44Å; P299-F354 HydrophobicContact CG-CE1 4.35Å; G334-F354 WeakPolarHBondContact O-CE2 3.39Å; F336-F354 HydrophobicContact CD1-CE2 4.36Å; F336-F354 HydrophobicContact CE1-CE2 4.33Å; N351-F354 HydrophobicContact CB-CD2 4.23Å; N351-F354 HydrophobicContact CB-CE2 4.29Å; N351-F354 PolarHBondContact O-N 2.96Å; M352-F354 PolarHBondContact O-N 3.01Å; M352-F354 VanDerWaalsContact O-N 3.14Å; F354-L362 WeakPolarHBondContact O-CD1 3.47Å; F354-P369 HydrophobicContact CB-CB 3.91Å; F354-P369 HydrophobicContact CB-CG 4.18Å; F354-P369 HydrophobicContact CD1-CB 3.98Å; F354-P369 HydrophobicContact CG-CB 3.92Å; F354-A370 HydrophobicContact CD2-CB 4.08Å; F354-A370 HydrophobicContact CE2-CB 3.57Å; F354-A370 HydrophobicContact CZ-CB 4.13Å
355	C	98.4	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-12.9	170.8	92.3	0	0	0	0	113.2	M352 N353 C401 L402 W405	M352-C355 PolarHBondContact O-N 3.13Å; M352-C355 PolarHBondContact O-SG 3.42Å; N353-C355 PolarHBondContact O-N 2.98Å; C355-C401 HydrophobicContact CB-CB 3.47Å; C355-C401 VanDerWaalsContact CB-CB 3.47Å; C355-C401 WeakPolarHBondContact CB-SG 3.39Å; C355-C401 CarbonylContact O-C 3.51Å; C355-C401 WeakPolarHBondContact O-CA 3.09Å; C355-C401 WeakPolarHBondContact SG-CB 3.2Å; C355-C401 CovalentContact SG-SG 2.03Å; C355-C401 PolarHBondContact SG-SG 3.35Å; C355-L402 WeakPolarHBondContact O-CG 3.37Å; C355-L402 PolarHBondContact O-N 3.02Å; C355-W405 HydrophobicContact CB-CB 4.1Å; C355-W405 HydrophobicContact CB-CD2 3.22Å; C355-W405 HydrophobicContact CB-CE3 3.44Å; C355-W405 VanDerWaalsContact CB-CE3 3.44Å; C355-W405 HydrophobicContact CB-CG 3.51Å; C355-W405 HydrophobicContact CB-CH2 4.36Å; C355-W405 HydrophobicContact CB-CZ2 4.16Å; C355-W405 HydrophobicContact CB-CZ3 4.02Å
356	A	97.3	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.			trans	-63.1	140.8	-170.7	0	0	0	0	0	112.1	M352 N353 E358 N359 L362 I396	M352-A356 PolarHBondContact O-N 2.87Å; N353-A356 PolarHBondContact O-N 3.3Å; A356-E358 PolarHBondContact O-N 3.36Å; A356-N359 HydrophobicContact CB-CB 4.13Å; A356-L362 WeakPolarHBondContact O-CD1 3.27Å; A356-I396 HydrophobicContact CB-CD1 3.55Å
357	R	94.2	Very high	97.7	Very high	95 Å²	95	19.2 Å²	19.2	36%	0.358	10%	0.097	S	C	.	.	S	Bend	trans	-72.4	-26.8	175.8	-61.4	179.6	-177.3	-156.7	-3.2	111	L400 L402	R357-L400 PolarHBondContact NE-O 2.62Å; R357-L402 HydrophobicContact CG-CD2 4.09Å; R357-L402 HydrophobicContact CG-CG 4.43Å
358	E	95.4	Very high	97.6	Very high	86 Å²	86	19.7 Å²	19.7	40%	0.402	10%	0.099	S	C	.	.	S	Bend	trans	-81.3	-17.8	-175.9	-57.2	71.7	-158.1	0	0	112.4	N295 A356 F360	N295-E358 HydrophobicContact CB-CB 3.77Å; N295-E358 VanDerWaalsContact CG-CB 3.49Å; N295-E358 WeakPolarHBondContact ND2-CB 3.47Å; A356-E358 PolarHBondContact O-N 3.36Å; E358-F360 PolarHBondContact O-N 3.32Å
359	N	98.1	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.			trans	-76.4	91.8	176.7	-176.1	3	0	0	0	110.5	N295 F297 N353 A356 W361 L362	N295-N359 WeakPolarHBondContact O-CA 3.47Å; N295-N359 WeakPolarHBondContact O-CB 3.44Å; N295-N359 PolarHBondContact O-OD1 2.91Å; F297-N359 PolarHBondContact N-OD1 3.11Å; F297-N359 PolarHBondContact O-ND2 3.48Å; N353-N359 WeakPolarHBondContact O-CB 3.22Å; N353-N359 PolarHBondContact O-ND2 3.48Å; A356-N359 HydrophobicContact CB-CB 4.13Å; N359-W361 PolarHBondContact O-N 2.82Å; N359-W361 VanDerWaalsContact O-N 3.09Å; N359-W361 WeakPolarHBondContact OD1-CB 3.43Å; N359-W361 PolarHBondContact OD1-N 2.77Å; N359-L362 HydrophobicContact CB-CD1 4.13Å; N359-L362 HydrophobicContact CB-CG 4.08Å; N359-L362 WeakPolarHBondContact O-CB 3.43Å; N359-L362 WeakPolarHBondContact O-CG 3.46Å; N359-L362 PolarHBondContact O-N 2.88Å
360	F	96.4	Very high	97.6	Very high	13 Å²	13	20.3 Å²	20.3	6%	0.057	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-61.9	-17.7	-177.4	58.4	-98.5	0	0	0	114.1	F107 D110 F111 A114 S296 E358 L362 L363	F107-F360 HydrophobicContact CD1-CE1 4.02Å; F107-F360 HydrophobicContact CE1-CD1 4.48Å; F107-F360 AromaticContact CE1-CE1 3.94Å; F107-F360 HydrophobicContact CE1-CE1 3.94Å; D110-F360 HydrophobicContact CB-CE2 3.97Å; D110-F360 HydrophobicContact CB-CZ 3.91Å; F111-F360 HydrophobicContact CD2-CB 4Å; F111-F360 HydrophobicContact CD2-CD1 4.19Å; F111-F360 HydrophobicContact CD2-CD2 4.09Å; F111-F360 AromaticContact CD2-CG 3.83Å; F111-F360 HydrophobicContact CD2-CG 3.83Å; F111-F360 HydrophobicContact CE2-CB 4.09Å; F111-F360 HydrophobicContact CE2-CG 4.42Å; A114-F360 HydrophobicContact CB-CD2 3.64Å; A114-F360 HydrophobicContact CB-CE2 4.18Å; S296-F360 WeakPolarHBondContact OG-CZ 3.42Å; E358-F360 PolarHBondContact O-N 3.32Å; F360-L362 PolarHBondContact O-N 2.76Å; F360-L363 HydrophobicContact CB-CD1 4.45Å; F360-L363 VanDerWaalsContact O-CB 3.3Å; F360-L363 WeakPolarHBondContact O-CB 3.39Å; F360-L363 WeakPolarHBondContact O-CD1 3.41Å; F360-L363 WeakPolarHBondContact O-CG 3.35Å; F360-L363 PolarHBondContact O-N 3.21Å
361	W	98.1	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-66.6	-19.8	173.3	-70.1	101.8	0	0	0	113.3	D110 R113 A114 S296 P298 V302 N359 L363 V364	D110-W361 HydrophobicContact CB-CZ2 3.79Å; R113-W361 HydrophobicContact CB-CH2 4.32Å; R113-W361 HydrophobicContact CG-CH2 4.03Å; R113-W361 HydrophobicContact CG-CZ3 4.29Å; A114-W361 HydrophobicContact CB-CD2 4.38Å; A114-W361 HydrophobicContact CB-CE3 4.06Å; A114-W361 HydrophobicContact CB-CZ3 4.25Å; S296-W361 PolarHBondContact OG-NE1 2.61Å; P298-W361 HydrophobicContact CB-CB 4.49Å; P298-W361 HydrophobicContact CB-CD2 3.75Å; P298-W361 HydrophobicContact CB-CE3 4.34Å; P298-W361 HydrophobicContact CB-CG 3.81Å; P298-W361 HydrophobicContact CB-CZ2 4.43Å; P298-W361 VanDerWaalsContact CD-CD1 3.44Å; P298-W361 HydrophobicContact CG-CD2 4.22Å; P298-W361 HydrophobicContact CG-CG 4.27Å; P298-W361 HydrophobicContact CG-CZ2 4.29Å; V302-W361 HydrophobicContact CG1-CZ3 4.47Å; V302-W361 HydrophobicContact CG2-CE3 4.02Å; V302-W361 HydrophobicContact CG2-CZ3 4.16Å; N359-W361 PolarHBondContact O-N 2.82Å; N359-W361 VanDerWaalsContact O-N 3.09Å; N359-W361 WeakPolarHBondContact OD1-CB 3.43Å; N359-W361 PolarHBondContact OD1-N 2.77Å; W361-L363 PolarHBondContact O-N 3.46Å; W361-V364 HydrophobicContact CE3-CG2 4.42Å; W361-V364 WeakPolarHBondContact O-CB 3.46Å; W361-V364 PolarHBondContact O-N 2.91Å; W361-V364 VanDerWaalsContact O-N 3.11Å
362	L	97.5	Very high	97.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-72.7	-11.6	176.2	-56.5	-174	0	0	0	112.8	Y140 P299 F354 A356 N359 F360 V364 N365 S366 P369 L402	Y140-L362 HydrophobicContact CE1-CB 4.13Å; P299-L362 HydrophobicContact CG-CD2 4.04Å; F354-L362 WeakPolarHBondContact O-CD1 3.47Å; A356-L362 WeakPolarHBondContact O-CD1 3.27Å; N359-L362 HydrophobicContact CB-CD1 4.13Å; N359-L362 HydrophobicContact CB-CG 4.08Å; N359-L362 WeakPolarHBondContact O-CB 3.43Å; N359-L362 WeakPolarHBondContact O-CG 3.46Å; N359-L362 PolarHBondContact O-N 2.88Å; F360-L362 PolarHBondContact O-N 2.76Å; L362-V364 PolarHBondContact O-N 3.44Å; L362-N365 CarbonylContact O-C 3.06Å; L362-S366 WeakPolarHBondContact O-CB 3.47Å; L362-S366 PolarHBondContact O-N 2.94Å; L362-P369 HydrophobicContact CD2-CB 4.08Å; L362-P369 HydrophobicContact CD2-CG 3.49Å; L362-P369 VanDerWaalsContact CD2-CG 3.49Å; L362-L402 HydrophobicContact CB-CD1 4.25Å; L362-L402 HydrophobicContact CD1-CD1 3.58Å
363	L	95.9	Very high	97.6	Very high	18 Å²	18	25.1 Å²	25.1	9%	0.094	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61	-31.8	166.3	-68.1	168.9	0	0	0	111.7	L115 S118 I139 Y140 F360 W361	L115-L363 HydrophobicContact CD2-CD1 4.14Å; S118-L363 VanDerWaalsContact CB-C 3.47Å; S118-L363 WeakPolarHBondContact CB-O 3.41Å; S118-L363 WeakPolarHBondContact OG-CB 3.41Å; I139-L363 HydrophobicContact CG2-CD2 3.92Å; Y140-L363 HydrophobicContact CE2-CD2 3.54Å; Y140-L363 WeakPolarHBondContact OH-CD2 3.1Å; F360-L363 HydrophobicContact CB-CD1 4.45Å; F360-L363 VanDerWaalsContact O-CB 3.3Å; F360-L363 WeakPolarHBondContact O-CB 3.39Å; F360-L363 WeakPolarHBondContact O-CD1 3.41Å; F360-L363 WeakPolarHBondContact O-CG 3.35Å; F360-L363 PolarHBondContact O-N 3.21Å; W361-L363 PolarHBondContact O-N 3.46Å
364	V	95.8	Very high	97.5	Very high	31 Å²	31	27.7 Å²	27.7	19%	0.188	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-47.5	-179.8	-178	0	0	0	0	110.6	Q117 F301 W361 L362	Q117-V364 HydrophobicContact CB-CG1 4.17Å; Q117-V364 HydrophobicContact CB-CG2 3.86Å; F301-V364 HydrophobicContact CE2-CB 4.23Å; F301-V364 HydrophobicContact CE2-CG1 3.84Å; F301-V364 HydrophobicContact CZ-CB 4.14Å; F301-V364 HydrophobicContact CZ-CG1 4.09Å; W361-V364 HydrophobicContact CE3-CG2 4.42Å; W361-V364 WeakPolarHBondContact O-CB 3.46Å; W361-V364 PolarHBondContact O-N 2.91Å; W361-V364 VanDerWaalsContact O-N 3.11Å; L362-V364 PolarHBondContact O-N 3.44Å
365	N	96.5	Very high	97.6	Very high	75 Å²	75	29.5 Å²	29.5	40%	0.401	15%	0.149	S	C	.	.			trans	-161.9	116.6	171.8	-170.8	-15.9	0	0	0	109.9	F301 L362 T367	F301-N365 HydrophobicContact CE1-CB 4.08Å; F301-N365 HydrophobicContact CZ-CB 4.3Å; L362-N365 CarbonylContact O-C 3.06Å; N365-T367 WeakPolarHBondContact OD1-CB 3.42Å; N365-T367 PolarHBondContact OD1-N 2.77Å; N365-T367 PolarHBondContact OD1-OG1 3.39Å
366	S	97.6	Very high	97.6	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.07	15%	0.149	C	C	.	.			trans	-97.2	4.7	178.3	61.5	0	0	0	0	114	Y140 W143 L362 D368	Y140-S366 WeakPolarHBondContact CA-OG 3.2Å; W143-S366 PolarHBondContact NE1-O 3.36Å; L362-S366 WeakPolarHBondContact O-CB 3.47Å; L362-S366 PolarHBondContact O-N 2.94Å; S366-D368 PolarHBondContact O-N 3.06Å
367	T	98.3	Very high	97.7	Very high	72 Å²	72	29.6 Å²	29.6	44%	0.442	15%	0.149	S	C	.	.	S	Bend	trans	-78.8	110.7	-178.3	-55.9	0	0	0	0	110.1	W143 N365	W143-T367 HydrophobicContact CB-CG2 3.9Å; W143-T367 HydrophobicContact CD2-CG2 4.25Å; W143-T367 HydrophobicContact CG-CG2 3.92Å; N365-T367 WeakPolarHBondContact OD1-CB 3.42Å; N365-T367 PolarHBondContact OD1-N 2.77Å; N365-T367 PolarHBondContact OD1-OG1 3.39Å
368	D	98.5	Very high	97.9	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.053	16%	0.159	C	C	.	.	S	Bend	trans	27.2	67.1	-177.3	-168.1	18.6	0	0	0	114.1	W143 S366 A370 N371 Q372 L373 Q374	W143-D368 HydrophobicContact CE3-CB 4.35Å; W143-D368 HydrophobicContact CH2-CB 3.87Å; W143-D368 HydrophobicContact CZ3-CB 3.77Å; S366-D368 PolarHBondContact O-N 3.06Å; D368-A370 PolarHBondContact O-N 2.91Å; D368-N371 VanDerWaalsContact O-CA 3.28Å; D368-N371 WeakPolarHBondContact O-CA 3.35Å; D368-N371 PolarHBondContact O-N 3.22Å; D368-N371 VanDerWaalsContact OD2-CA 3.27Å; D368-N371 WeakPolarHBondContact OD2-CA 3.2Å; D368-Q372 PolarHBondContact OD1-N 3.45Å; D368-L373 WeakPolarHBondContact OD1-CB 3.31Å; D368-L373 PolarHBondContact OD1-N 2.96Å; D368-L373 PolarHBondContact OD2-N 3.5Å; D368-Q374 WeakPolarHBondContact OD2-CB 3.43Å; D368-Q374 PolarHBondContact OD2-N 3.31Å
369	P	98.5	Very high	98	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.026	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-57.5	135.1	-173.6	-20.4	31	0	0	0	111.3	P299 F354 L362 N371 Q372	P299-P369 HydrophobicContact CB-CB 3.96Å; P299-P369 HydrophobicContact CG-CB 3.82Å; F354-P369 HydrophobicContact CB-CB 3.91Å; F354-P369 HydrophobicContact CB-CG 4.18Å; F354-P369 HydrophobicContact CD1-CB 3.98Å; F354-P369 HydrophobicContact CG-CB 3.92Å; L362-P369 HydrophobicContact CD2-CB 4.08Å; L362-P369 HydrophobicContact CD2-CG 3.49Å; L362-P369 VanDerWaalsContact CD2-CG 3.49Å; P369-N371 PolarHBondContact O-N 3.4Å; P369-Q372 PolarHBondContact O-N 2.86Å
370	A	98.4	Very high	98.1	Very high	11 Å²	11	27.5 Å²	27.5	9%	0.091	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	62	12.5	-171	0	0	0	0	0	115.8	P300 Y333 F336 F354 D368 Q372	P300-A370 HydrophobicContact CG-CB 3.6Å; Y333-A370 HydrophobicContact CE1-CB 4.15Å; F336-A370 HydrophobicContact CE1-CB 3.75Å; F336-A370 HydrophobicContact CZ-CB 4.34Å; F354-A370 HydrophobicContact CD2-CB 4.08Å; F354-A370 HydrophobicContact CE2-CB 3.57Å; F354-A370 HydrophobicContact CZ-CB 4.13Å; D368-A370 PolarHBondContact O-N 2.91Å; A370-Q372 PolarHBondContact O-N 3.36Å
371	N	98.5	Very high	98.2	Very high	100 Å²	100	27.5 Å²	27.5	54%	0.535	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	53.7	33.3	-171	-56	-64.8	0	0	0	112.7	D368 P369 Q374 W375	D368-N371 VanDerWaalsContact O-CA 3.28Å; D368-N371 WeakPolarHBondContact O-CA 3.35Å; D368-N371 PolarHBondContact O-N 3.22Å; D368-N371 VanDerWaalsContact OD2-CA 3.27Å; D368-N371 WeakPolarHBondContact OD2-CA 3.2Å; P369-N371 PolarHBondContact O-N 3.4Å; N371-Q374 HydrophobicContact CB-CB 4.43Å; N371-Q374 PolarHBondContact O-N 3.02Å; N371-W375 VanDerWaalsContact O-CB 3.29Å; N371-W375 WeakPolarHBondContact O-CB 3.47Å; N371-W375 PolarHBondContact O-N 3.45Å
372	Q	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-42.6	-170.9	-179.7	174.7	-111.7	0	0	112.2	F336 L350 N351 D368 P369 A370 W375 L376	F336-Q372 VanDerWaalsContact CB-OE1 3.3Å; F336-Q372 HydrophobicContact CD1-CB 4.37Å; F336-Q372 HydrophobicContact CD1-CG 4.04Å; F336-Q372 HydrophobicContact CE1-CB 4.12Å; F336-Q372 HydrophobicContact CE1-CG 4.26Å; F336-Q372 HydrophobicContact CG-CG 4.21Å; F336-Q372 HydrophobicContact CZ-CB 4.43Å; L350-Q372 HydrophobicContact CD2-CG 4.07Å; N351-Q372 PolarHBondContact O-NE2 3.46Å; N351-Q372 PolarHBondContact O-OE1 3.39Å; D368-Q372 PolarHBondContact OD1-N 3.45Å; P369-Q372 PolarHBondContact O-N 2.86Å; A370-Q372 PolarHBondContact O-N 3.36Å; Q372-W375 PolarHBondContact O-N 3.1Å; Q372-L376 WeakPolarHBondContact O-CB 3.07Å; Q372-L376 PolarHBondContact O-N 3.24Å
373	L	98.9	Very high	98.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.2	-37	177	-68.6	-166.2	0	0	0	111.4	W143 I145 D368 W375 L376 V377 W405 N408 Y409 I412	W143-L373 HydrophobicContact CH2-CD1 3.69Å; W143-L373 HydrophobicContact CH2-CG 4.45Å; W143-L373 HydrophobicContact CZ3-CD1 4.1Å; I145-L373 HydrophobicContact CD1-CB 4Å; I145-L373 HydrophobicContact CG1-CB 4.35Å; D368-L373 WeakPolarHBondContact OD1-CB 3.31Å; D368-L373 PolarHBondContact OD1-N 2.96Å; D368-L373 PolarHBondContact OD2-N 3.5Å; L373-W375 VanDerWaalsContact C-N 3.3Å; L373-W375 PolarHBondContact O-N 2.87Å; L373-L376 HydrophobicContact CD2-CD2 4.13Å; L373-L376 WeakPolarHBondContact O-CB 3.44Å; L373-L376 PolarHBondContact O-N 3.17Å; L373-V377 WeakPolarHBondContact O-CG2 3.37Å; L373-V377 PolarHBondContact O-N 2.97Å; L373-W405 HydrophobicContact CD1-CD2 4.18Å; L373-W405 HydrophobicContact CD1-CG 4.27Å; L373-W405 HydrophobicContact CD2-CD2 4.47Å; L373-W405 HydrophobicContact CD2-CH2 4.01Å; L373-W405 HydrophobicContact CD2-CZ2 3.45Å; L373-W405 VanDerWaalsContact CD2-CZ2 3.45Å; L373-W405 HydrophobicContact CG-CZ2 4.14Å; L373-N408 HydrophobicContact CD1-CB 3.58Å; L373-Y409 HydrophobicContact CD2-CD2 4.15Å; L373-I412 HydrophobicContact CB-CD1 3.94Å; L373-I412 HydrophobicContact CD1-CD1 4.28Å; L373-I412 HydrophobicContact CD2-CD1 4.14Å; L373-I412 HydrophobicContact CG-CD1 4.36Å
374	Q	98.8	Very high	98.4	Very high	54 Å²	54	29.5 Å²	29.5	25%	0.252	16%	0.159	S	C	.	.	H	α-helix	trans	-64.9	-39.5	176	-168.3	56.8	76.4	0	0	111.1	I145 T146 D368 N371 V377 Q378	I145-Q374 HydrophobicContact CD1-CB 3.83Å; T146-Q374 PolarHBondContact O-NE2 3.29Å; D368-Q374 WeakPolarHBondContact OD2-CB 3.43Å; D368-Q374 PolarHBondContact OD2-N 3.31Å; N371-Q374 HydrophobicContact CB-CB 4.43Å; N371-Q374 PolarHBondContact O-N 3.02Å; Q374-V377 PolarHBondContact O-N 3.34Å; Q374-Q378 WeakPolarHBondContact O-CG 3.19Å; Q374-Q378 PolarHBondContact O-N 3.12Å
375	W	98.9	Very high	98.6	Very high	40 Å²	40	33.4 Å²	33.4	15%	0.152	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-44.2	172.1	167.9	82.5	0	0	0	111.8	F336 Y337 T338 V348 L350 N371 Q372 L373 V377 Q378 V379	F336-W375 HydrophobicContact CB-CZ3 4.49Å; F336-W375 AromaticContact CD2-CD2 3.86Å; F336-W375 HydrophobicContact CD2-CD2 3.86Å; F336-W375 AromaticContact CD2-CE3 3.63Å; F336-W375 HydrophobicContact CD2-CE3 3.63Å; F336-W375 AromaticContact CD2-CH2 3.75Å; F336-W375 HydrophobicContact CD2-CH2 3.75Å; F336-W375 AromaticContact CD2-CZ2 3.97Å; F336-W375 HydrophobicContact CD2-CZ2 3.97Å; F336-W375 AromaticContact CD2-CZ3 3.59Å; F336-W375 HydrophobicContact CD2-CZ3 3.59Å; F336-W375 AromaticContact CE2-CD2 3.64Å; F336-W375 HydrophobicContact CE2-CD2 3.64Å; F336-W375 AromaticContact CE2-CE2 3.97Å; F336-W375 AromaticContact CE2-CE3 3.78Å; F336-W375 HydrophobicContact CE2-CE3 3.78Å; F336-W375 AromaticContact CE2-CG 3.99Å; F336-W375 HydrophobicContact CE2-CG 3.99Å; F336-W375 HydrophobicContact CE2-CH2 4.48Å; F336-W375 HydrophobicContact CE2-CZ2 4.37Å; F336-W375 HydrophobicContact CE2-CZ3 4.22Å; F336-W375 HydrophobicContact CG-CZ3 4.36Å; Y337-W375 WeakPolarHBondContact O-CH2 3.27Å; T338-W375 HydrophobicContact CG2-CH2 4.42Å; T338-W375 HydrophobicContact CG2-CZ2 3.72Å; V348-W375 HydrophobicContact CG1-CH2 3.72Å; V348-W375 HydrophobicContact CG1-CZ3 3.67Å; L350-W375 HydrophobicContact CD2-CZ3 3.88Å; N371-W375 VanDerWaalsContact O-CB 3.29Å; N371-W375 WeakPolarHBondContact O-CB 3.47Å; N371-W375 PolarHBondContact O-N 3.45Å; Q372-W375 PolarHBondContact O-N 3.1Å; L373-W375 VanDerWaalsContact C-N 3.3Å; L373-W375 PolarHBondContact O-N 2.87Å; W375-V377 VanDerWaalsContact C-N 3.33Å; W375-V377 PolarHBondContact O-N 2.87Å; W375-Q378 WeakPolarHBondContact O-CB 3.28Å; W375-Q378 PolarHBondContact O-N 3.02Å; W375-Q378 VanDerWaalsContact O-N 3.1Å; W375-V379 HydrophobicContact CD2-CG2 4.16Å; W375-V379 HydrophobicContact CZ2-CG2 3.95Å; W375-V379 WeakPolarHBondContact O-CG2 3.2Å; W375-V379 PolarHBondContact O-N 2.9Å
376	L	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-45.6	176.1	173.8	64.3	0	0	0	111.3	V348 L350 Q372 L373 Q378 V379 L380 I392 Y409 I412	V348-L376 HydrophobicContact CG1-CD1 3.83Å; L350-L376 HydrophobicContact CD1-CD2 4.28Å; L350-L376 HydrophobicContact CD2-CD1 4.46Å; Q372-L376 WeakPolarHBondContact O-CB 3.07Å; Q372-L376 PolarHBondContact O-N 3.24Å; L373-L376 HydrophobicContact CD2-CD2 4.13Å; L373-L376 WeakPolarHBondContact O-CB 3.44Å; L373-L376 PolarHBondContact O-N 3.17Å; L376-Q378 VanDerWaalsContact C-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.27Å; L376-V379 PolarHBondContact O-N 3.03Å; L376-L380 HydrophobicContact CD1-CD1 3.81Å; L376-L380 HydrophobicContact CD1-CD2 4.43Å; L376-L380 HydrophobicContact CD1-CG 3.88Å; L376-L380 HydrophobicContact CD2-CD1 4.43Å; L376-L380 HydrophobicContact CG-CD1 3.78Å; L376-L380 HydrophobicContact CG-CG 4.26Å; L376-L380 WeakPolarHBondContact O-CB 3.2Å; L376-L380 WeakPolarHBondContact O-CG 3.29Å; L376-L380 PolarHBondContact O-N 3.46Å; L376-I392 HydrophobicContact CD1-CD1 4.38Å; L376-Y409 HydrophobicContact CD2-CD2 4.14Å; L376-Y409 HydrophobicContact CD2-CE2 4.04Å; L376-I412 HydrophobicContact CD2-CD1 4.4Å; L376-I412 HydrophobicContact CD2-CG2 4.06Å; L376-I412 HydrophobicContact CG-CG2 4.26Å
377	V	98.9	Very high	98.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-44.1	175.4	168.4	0	0	0	0	111.5	I145 L147 P148 L373 Q374 W375 L380 Q381 I412	I145-V377 HydrophobicContact CG1-CG2 4.27Å; L147-V377 HydrophobicContact CD2-CG1 4.24Å; L147-V377 HydrophobicContact CD2-CG2 3.87Å; P148-V377 HydrophobicContact CG-CG1 3.97Å; L373-V377 WeakPolarHBondContact O-CG2 3.37Å; L373-V377 PolarHBondContact O-N 2.97Å; Q374-V377 PolarHBondContact O-N 3.34Å; W375-V377 VanDerWaalsContact C-N 3.33Å; W375-V377 PolarHBondContact O-N 2.87Å; V377-L380 PolarHBondContact O-N 3.09Å; V377-Q381 WeakPolarHBondContact O-CB 3.12Å; V377-Q381 PolarHBondContact O-N 2.85Å; V377-I412 HydrophobicContact CG2-CD1 3.65Å; V377-I412 HydrophobicContact CG2-CG1 3.64Å; V377-I412 HydrophobicContact CG2-CG2 4.37Å
378	Q	98.8	Very high	98.6	Very high	120 Å²	120	35.6 Å²	35.6	56%	0.561	19%	0.191	S	C	*	.	H	α-helix	trans	-64.7	-41.6	178.3	-67.9	170.3	3.5	0	0	111.8	Q374 W375 L376 A382	Q374-Q378 WeakPolarHBondContact O-CG 3.19Å; Q374-Q378 PolarHBondContact O-N 3.12Å; W375-Q378 WeakPolarHBondContact O-CB 3.28Å; W375-Q378 PolarHBondContact O-N 3.02Å; W375-Q378 VanDerWaalsContact O-N 3.1Å; L376-Q378 VanDerWaalsContact C-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.27Å; Q378-A382 VanDerWaalsContact O-CB 3.27Å; Q378-A382 WeakPolarHBondContact O-CB 3.22Å; Q378-A382 PolarHBondContact O-N 2.75Å
379	V	98.9	Very high	98.6	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.097	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-48.6	177.1	175.4	0	0	0	0	110.8	T338 V348 W375 L376 A382 S383	T338-V379 HydrophobicContact CG2-CG1 4.12Å; T338-V379 HydrophobicContact CG2-CG2 3.9Å; V348-V379 HydrophobicContact CG2-CG1 3.72Å; W375-V379 HydrophobicContact CD2-CG2 4.16Å; W375-V379 HydrophobicContact CZ2-CG2 3.95Å; W375-V379 WeakPolarHBondContact O-CG2 3.2Å; W375-V379 PolarHBondContact O-N 2.9Å; L376-V379 PolarHBondContact O-N 3.03Å; V379-A382 PolarHBondContact O-N 3.05Å; V379-S383 WeakPolarHBondContact O-CB 3.45Å; V379-S383 PolarHBondContact O-N 3.42Å; V379-S383 PolarHBondContact O-OG 2.91Å
380	L	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-41.8	-179.3	-69.2	173.6	0	0	0	112.3	L376 V377 S383 E384 V390 I412 Y416 T419 I420	L376-L380 HydrophobicContact CD1-CD1 3.81Å; L376-L380 HydrophobicContact CD1-CD2 4.43Å; L376-L380 HydrophobicContact CD1-CG 3.88Å; L376-L380 HydrophobicContact CD2-CD1 4.43Å; L376-L380 HydrophobicContact CG-CD1 3.78Å; L376-L380 HydrophobicContact CG-CG 4.26Å; L376-L380 WeakPolarHBondContact O-CB 3.2Å; L376-L380 WeakPolarHBondContact O-CG 3.29Å; L376-L380 PolarHBondContact O-N 3.46Å; V377-L380 PolarHBondContact O-N 3.09Å; L380-S383 PolarHBondContact O-N 2.88Å; L380-E384 WeakPolarHBondContact O-CB 3.47Å; L380-E384 PolarHBondContact O-N 3.37Å; L380-V390 HydrophobicContact CD2-CB 3.96Å; L380-V390 HydrophobicContact CD2-CG1 3.8Å; L380-V390 HydrophobicContact CD2-CG2 3.97Å; L380-I412 HydrophobicContact CD1-CG2 3.32Å; L380-Y416 HydrophobicContact CB-CD1 3.97Å; L380-Y416 HydrophobicContact CB-CD2 3.71Å; L380-Y416 HydrophobicContact CB-CE1 4.17Å; L380-Y416 HydrophobicContact CB-CE2 3.91Å; L380-Y416 HydrophobicContact CB-CG 3.74Å; L380-Y416 HydrophobicContact CD1-CD2 3.59Å; L380-Y416 HydrophobicContact CD1-CE2 4.26Å; L380-Y416 HydrophobicContact CD1-CG 4.03Å; L380-Y416 HydrophobicContact CG-CD2 4.29Å; L380-Y416 HydrophobicContact CG-CG 4.43Å; L380-T419 HydrophobicContact CD2-CG2 4.48Å; L380-I420 HydrophobicContact CD1-CD1 3.99Å; L380-I420 HydrophobicContact CD1-CG1 4.43Å; L380-I420 HydrophobicContact CD2-CD1 4.17Å; L380-I420 HydrophobicContact CD2-CG1 3.71Å
381	Q	98.9	Very high	98.6	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-46.9	174.9	-170.1	60	59.1	0	0	111	P148 V377 S383 E384 D385 Y416	P148-Q381 HydrophobicContact CB-CG 4.36Å; P148-Q381 HydrophobicContact CG-CB 4.16Å; P148-Q381 HydrophobicContact CG-CG 3.98Å; V377-Q381 WeakPolarHBondContact O-CB 3.12Å; V377-Q381 PolarHBondContact O-N 2.85Å; Q381-S383 PolarHBondContact O-N 2.98Å; Q381-E384 PolarHBondContact NE2-OE1 3.48Å; Q381-E384 WeakPolarHBondContact O-CB 3.47Å; Q381-E384 PolarHBondContact O-N 2.88Å; Q381-D385 PolarHBondContact NE2-OD1 3.22Å; Q381-D385 PolarHBondContact O-N 3.49Å; Q381-Y416 HydrophobicContact CB-CE1 4.3Å; Q381-Y416 PolarHBondContact OE1-OH 2.96Å
382	A	98.8	Very high	98.6	Very high	31 Å²	31	32.4 Å²	32.4	26%	0.256	17%	0.17	S	C	.	.	H	α-helix	trans	-64.7	-32.6	-179.8	0	0	0	0	0	111.8	Q378 V379 R386	Q378-A382 VanDerWaalsContact O-CB 3.27Å; Q378-A382 WeakPolarHBondContact O-CB 3.22Å; Q378-A382 PolarHBondContact O-N 2.75Å; V379-A382 PolarHBondContact O-N 3.05Å; A382-R386 WeakPolarHBondContact O-CG 3.15Å; A382-R386 PolarHBondContact O-N 2.9Å; A382-R386 PolarHBondContact O-NH1 3.46Å
383	S	98.8	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.1	-42.8	172.3	-74.1	0	0	0	0	112.6	R346 V379 L380 Q381 D385 R386 G387 E388	R346-S383 WeakPolarHBondContact CD-OG 3.33Å; V379-S383 WeakPolarHBondContact O-CB 3.45Å; V379-S383 PolarHBondContact O-N 3.42Å; V379-S383 PolarHBondContact O-OG 2.91Å; L380-S383 PolarHBondContact O-N 2.88Å; Q381-S383 PolarHBondContact O-N 2.98Å; S383-D385 VanDerWaalsContact C-N 3.33Å; S383-D385 PolarHBondContact O-N 3.32Å; S383-R386 CarbonylContact O-C 3.58Å; S383-R386 PolarHBondContact O-N 3.02Å; S383-G387 PolarHBondContact O-N 3.37Å; S383-E388 PolarHBondContact O-N 3.38Å; S383-E388 PolarHBondContact OG-OE2 3.39Å
384	E	98.6	Very high	98.6	Very high	30 Å²	30	32.4 Å²	32.4	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-46.9	173.1	-178.4	174.8	92.7	0	0	110.9	P153 L380 Q381 R386 G387 R415	P153-E384 HydrophobicContact CG-CG 4.46Å; L380-E384 WeakPolarHBondContact O-CB 3.47Å; L380-E384 PolarHBondContact O-N 3.37Å; Q381-E384 PolarHBondContact NE2-OE1 3.48Å; Q381-E384 WeakPolarHBondContact O-CB 3.47Å; Q381-E384 PolarHBondContact O-N 2.88Å; E384-R386 PolarHBondContact O-N 2.84Å; E384-G387 PolarHBondContact O-N 3Å; E384-R415 IonicContact OE1-CZ 3.62Å; E384-R415 IonicContact OE1-NH1 3.61Å; E384-R415 PolarHBondContact OE1-NH1 3.01Å; E384-R415 IonicContact OE1-NH2 2.67Å; E384-R415 PolarHBondContact OE1-NH2 2.98Å; E384-R415 IonicContact OE2-CZ 2.74Å; E384-R415 IonicContact OE2-NH1 3.82Å; E384-R415 PolarHBondContact OE2-NH1 2.96Å; E384-R415 IonicContact OE2-NH2 3.4Å
385	D	98.4	Very high	98.6	Very high	113 Å²	113	29.9 Å²	29.9	60%	0.604	16%	0.158	S	C	*	.	H	α-helix	trans	-62.3	-31.1	179.2	-62.4	-13.7	0	0	0	112.5	Q381 S383	Q381-D385 PolarHBondContact NE2-OD1 3.22Å; Q381-D385 PolarHBondContact O-N 3.49Å; S383-D385 VanDerWaalsContact C-N 3.33Å; S383-D385 PolarHBondContact O-N 3.32Å
386	R	97.8	Very high	98.6	Very high	131 Å²	131	28.1 Å²	28.1	49%	0.494	15%	0.151	S	C	.	.	H	α-helix	trans	-90.2	-4.1	176.4	-69.7	-168.7	-59.4	-77.2	-8.8	113.8	A382 S383 E384 E388	A382-R386 WeakPolarHBondContact O-CG 3.15Å; A382-R386 PolarHBondContact O-N 2.9Å; A382-R386 PolarHBondContact O-NH1 3.46Å; S383-R386 CarbonylContact O-C 3.58Å; S383-R386 PolarHBondContact O-N 3.02Å; E384-R386 PolarHBondContact O-N 2.84Å; R386-E388 HydrophobicContact CB-CG 4.07Å; R386-E388 IonicContact CZ-OE1 3.25Å; R386-E388 IonicContact CZ-OE2 2.78Å; R386-E388 IonicContact NE-OE1 2.71Å; R386-E388 PolarHBondContact NE-OE1 3.3Å; R386-E388 IonicContact NE-OE2 2.95Å; R386-E388 IonicContact NH2-OE1 2.91Å; R386-E388 PolarHBondContact NH2-OE1 3.21Å; R386-E388 IonicContact NH2-OE2 3.33Å; R386-E388 PolarHBondContact NH2-OE2 2.96Å; R386-E388 PolarHBondContact O-N 3.14Å
387	G	96.6	Very high	98.6	Very high	60 Å²	60	28.1 Å²	28.1	62%	0.619	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	21.2	-172.7	0	0	0	0	0	114	S383 E384	S383-G387 PolarHBondContact O-N 3.37Å; E384-G387 PolarHBondContact O-N 3Å
388	E	98	Very high	98.5	Very high	12 Å²	12	28 Å²	28	6%	0.056	15%	0.15	C	C	.	.			trans	-71.8	151.2	172.3	-70	172.6	-174.8	0	0	110.5	G344 R346 S383 R386	G344-E388 WeakPolarHBondContact O-CA 3.48Å; R346-E388 IonicContact CZ-OE2 2.83Å; R346-E388 IonicContact NE-OE2 2.78Å; R346-E388 PolarHBondContact NE-OE2 3.37Å; R346-E388 IonicContact NH2-OE1 3.83Å; R346-E388 IonicContact NH2-OE2 3.27Å; S383-E388 PolarHBondContact O-N 3.38Å; S383-E388 PolarHBondContact OG-OE2 3.39Å; R386-E388 HydrophobicContact CB-CG 4.07Å; R386-E388 IonicContact CZ-OE1 3.25Å; R386-E388 IonicContact CZ-OE2 2.78Å; R386-E388 IonicContact NE-OE1 2.71Å; R386-E388 PolarHBondContact NE-OE1 3.3Å; R386-E388 IonicContact NE-OE2 2.95Å; R386-E388 IonicContact NH2-OE1 2.91Å; R386-E388 PolarHBondContact NH2-OE1 3.21Å; R386-E388 IonicContact NH2-OE2 3.33Å; R386-E388 PolarHBondContact NH2-OE2 2.96Å; R386-E388 PolarHBondContact O-N 3.14Å
389	K	98.6	Very high	98.4	Very high	59 Å²	59	22.3 Å²	22.3	26%	0.257	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	154.4	163.1	-57.8	-49.1	-168	-175.8	0	110.5	G344 L345 R346 S418 T419 T421 R479	G344-K389 PolarHBondContact O-N 2.84Å; L345-K389 WeakPolarHBondContact CA-O 3.46Å; L345-K389 HydrophobicContact CD1-CB 4.32Å; R346-K389 PolarHBondContact N-O 3.2Å; K389-S418 PolarHBondContact NZ-O 3.29Å; K389-T419 CarbonylContact C-O 3.57Å; K389-T419 WeakPolarHBondContact CA-O 3.49Å; K389-T421 HydrophobicContact CB-CG2 3.79Å; K389-T421 HydrophobicContact CD-CG2 3.68Å; K389-T421 HydrophobicContact CG-CG2 3.83Å; K389-R479 HydrophobicContact CB-CB 3.81Å; K389-R479 HydrophobicContact CB-CG 3.83Å; K389-R479 HydrophobicContact CG-CB 4.01Å; K389-R479 HydrophobicContact CG-CG 3.83Å
390	V	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.3	-174	179.5	0	0	0	0	111	R346 V348 L380 I392 T419 I420 T421	R346-V390 HydrophobicContact CB-CG2 4.3Å; R346-V390 CarbonylContact O-C 3.16Å; R346-V390 WeakPolarHBondContact O-CA 3.17Å; V348-V390 HydrophobicContact CB-CG1 4.41Å; V348-V390 HydrophobicContact CG2-CG1 3.73Å; L380-V390 HydrophobicContact CD2-CB 3.96Å; L380-V390 HydrophobicContact CD2-CG1 3.8Å; L380-V390 HydrophobicContact CD2-CG2 3.97Å; V390-I392 HydrophobicContact CG1-CG1 4.17Å; V390-T419 HydrophobicContact CB-CG2 4.44Å; V390-T419 HydrophobicContact CG2-CG2 3.83Å; V390-T419 PolarHBondContact N-O 3.1Å; V390-I420 WeakPolarHBondContact O-CA 3.35Å; V390-T421 PolarHBondContact O-N 3.42Å
391	H	98.9	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.9	162.4	-73.6	-171.4	0	0	0	109.5	Y243 R346 V347 V348 T421 G422 F424 R479	Y243-H391 AromaticContact CE2-ND1 3.9Å; Y243-H391 AromaticContact CZ-ND1 3.74Å; Y243-H391 PolarHBondContact OH-ND1 2.99Å; R346-H391 PolarHBondContact O-N 2.71Å; V347-H391 CarbonylContact C-O 3.58Å; V347-H391 WeakPolarHBondContact CA-O 2.92Å; V348-H391 PolarHBondContact N-O 2.9Å; H391-T421 PolarHBondContact CD2-OG1 3.26Å; H391-T421 PolarHBondContact NE2-OG1 2.86Å; H391-G422 CarbonylContact C-O 3.6Å; H391-G422 WeakPolarHBondContact CA-O 3.16Å; H391-F424 HydrophobicContact CB-CE2 3.99Å; H391-F424 AromaticContact CG-CE2 3.75Å; H391-F424 AromaticContact ND1-CE2 3.65Å; H391-R479 PolarHBondContact NE2-O 2.81Å
392	I	99	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.1	171.9	-59.1	175.9	0	0	0	108.2	V348 L350 L376 V390 Y409 I420 G422 Q423 F424 F425	V348-I392 HydrophobicContact CB-CG1 4.46Å; V348-I392 CarbonylContact O-C 3.59Å; V348-I392 WeakPolarHBondContact O-CA 3.34Å; L350-I392 HydrophobicContact CD1-CG2 3.6Å; L350-I392 HydrophobicContact CG-CG2 4.03Å; L376-I392 HydrophobicContact CD1-CD1 4.38Å; V390-I392 HydrophobicContact CG1-CG1 4.17Å; I392-Y409 HydrophobicContact CD1-CE2 4.41Å; I392-I420 HydrophobicContact CD1-CD1 3.88Å; I392-I420 HydrophobicContact CD1-CG1 4.21Å; I392-I420 HydrophobicContact CD1-CG2 4.15Å; I392-I420 HydrophobicContact CG1-CG2 4.45Å; I392-G422 PolarHBondContact N-O 2.87Å; I392-Q423 HydrophobicContact CB-CG 4.4Å; I392-Q423 CarbonylContact O-C 3.54Å; I392-Q423 WeakPolarHBondContact O-CA 3.32Å; I392-F424 PolarHBondContact O-N 3.31Å; I392-F425 HydrophobicContact CG2-CZ 4.47Å
393	I	99	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.7	168.5	66.4	175.5	0	0	0	109.8	Y243 T245 Y283 A285 V347 V348 S349 L350 F424	Y243-I393 HydrophobicContact CD1-CD1 4.24Å; Y243-I393 HydrophobicContact CD1-CG2 3.94Å; Y243-I393 HydrophobicContact CD2-CG2 3.73Å; Y243-I393 HydrophobicContact CE1-CG2 4.19Å; Y243-I393 HydrophobicContact CE2-CG2 4.01Å; Y243-I393 HydrophobicContact CG-CG2 3.71Å; T245-I393 HydrophobicContact CG2-CB 4.16Å; Y283-I393 WeakPolarHBondContact O-CD1 3.31Å; A285-I393 HydrophobicContact CB-CD1 4.49Å; A285-I393 HydrophobicContact CB-CG1 4.36Å; V347-I393 HydrophobicContact CG2-CD1 4.06Å; V347-I393 HydrophobicContact CG2-CG1 4.06Å; V347-I393 HydrophobicContact CG2-CG2 4.37Å; V348-I393 PolarHBondContact O-N 3.14Å; S349-I393 WeakPolarHBondContact CA-O 3.35Å; L350-I393 PolarHBondContact N-O 2.8Å; I393-F424 WeakPolarHBondContact CA-O 3.29Å; I393-F424 HydrophobicContact CG2-CB 4.15Å; I393-F424 HydrophobicContact CG2-CD2 4.04Å
394	G	98.9	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.			trans	-162.3	176.2	175.5	0	0	0	0	0	110.1	T245 F424 F425	T245-G394 VanDerWaalsContact CB-O 3.28Å; T245-G394 WeakPolarHBondContact CB-O 3.13Å; T245-G394 VanDerWaalsContact CG2-O 3.23Å; T245-G394 WeakPolarHBondContact CG2-O 3.49Å; G394-F424 PolarHBondContact N-O 2.94Å; G394-F425 WeakPolarHBondContact O-CA 3.43Å
395	H	98.9	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-91.4	-74.8	179	-177.4	71.5	0	0	0	112.1	D175 T245 D247 V286 G287 N288 G426 H427	D175-H395 IonicContact OD1-CE1 3.52Å; D175-H395 PolarHBondContact OD1-CE1 2.78Å; D175-H395 IonicContact OD1-ND1 2.93Å; D175-H395 IonicContact OD1-NE2 3.9Å; T245-H395 WeakPolarHBondContact O-CB 3.26Å; T245-H395 PolarHBondContact O-ND1 2.65Å; D247-H395 VanDerWaalsContact CB-CE1 3.5Å; D247-H395 WeakPolarHBondContact CB-CE1 3.23Å; D247-H395 VanDerWaalsContact CG-NE2 3.26Å; D247-H395 IonicContact OD1-CE1 3.81Å; D247-H395 PolarHBondContact OD1-CE1 2.69Å; D247-H395 IonicContact OD1-NE2 3.07Å; D247-H395 PolarHBondContact OD1-NE2 3.2Å; D247-H395 IonicContact OD2-CE1 2.67Å; D247-H395 PolarHBondContact OD2-CE1 2.92Å; D247-H395 IonicContact OD2-NE2 2.64Å; D247-H395 PolarHBondContact OD2-NE2 3.15Å; V286-H395 WeakPolarHBondContact O-CB 3.23Å; G287-H395 VanDerWaalsContact CA-CD2 3.41Å; G287-H395 WeakPolarHBondContact CA-CD2 3.44Å; N288-H395 PolarHBondContact OD1-CD2 2.9Å; N288-H395 PolarHBondContact OD1-NE2 2.92Å; H395-G426 CarbonylContact O-C 3.47Å; H395-G426 PolarHBondContact O-N 2.92Å; H395-H427 AromaticContact CD2-CG 3.92Å; H395-H427 AromaticContact CD2-ND1 3.6Å; H395-H427 WeakPolarHBondContact NE2-CB 3.2Å; H395-H427 AromaticContact NE2-CG 3.58Å; H395-H427 AromaticContact NE2-ND1 3.07Å; H395-H427 PolarHBondContact NE2-ND1 2.93Å
396	I	98.8	Very high	97.7	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	12%	0.118	C	C	.	.	S	Bend	trans	-69.4	127.8	179.9	-54	172.1	0	0	0	110	N288 M352 A356 L400 F425 H427	N288-I396 HydrophobicContact CB-CD1 4.46Å; M352-I396 HydrophobicContact CB-CB 3.85Å; M352-I396 HydrophobicContact CB-CG1 4.3Å; M352-I396 WeakPolarHBondContact CE-O 3.25Å; M352-I396 WeakPolarHBondContact CG-O 3.35Å; A356-I396 HydrophobicContact CB-CD1 3.55Å; I396-L400 HydrophobicContact CG2-CB 3.9Å; I396-F425 WeakPolarHBondContact O-CD1 3.06Å; I396-H427 HydrophobicContact CG1-CB 4.45Å
397	P	98.5	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.11	C	C	.	.			trans	-68.4	145.5	178.7	27.3	-34.8	0	0	0	112.3	G399 L400 F425 T428 I451 F570	P397-G399 VanDerWaalsContact C-N 3.27Å; P397-G399 PolarHBondContact O-N 2.89Å; P397-G399 VanDerWaalsContact O-N 3.12Å; P397-L400 HydrophobicContact CG-CD1 3.7Å; P397-L400 HydrophobicContact CG-CG 4.01Å; P397-L400 PolarHBondContact O-N 3.43Å; P397-F425 HydrophobicContact CB-CB 4.18Å; P397-F425 HydrophobicContact CB-CG 4.37Å; P397-T428 HydrophobicContact CG-CG2 3.97Å; P397-I451 HydrophobicContact CB-CD1 3.64Å; P397-I451 HydrophobicContact CB-CG1 4.01Å; P397-I451 HydrophobicContact CG-CD1 3.93Å; P397-F570 HydrophobicContact CG-CZ 4.48Å
398	P	97.3	Very high	97.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-59	-30.1	-170.8	-26.5	35.5	0	0	0	115.5	M352 L400 C401 S406 Y409 F425 F436	M352-P398 HydrophobicContact CE-CG 4.32Å; P398-L400 PolarHBondContact O-N 3.42Å; P398-C401 WeakPolarHBondContact O-CB 3.3Å; P398-C401 PolarHBondContact O-N 3.39Å; P398-S406 WeakPolarHBondContact O-CB 3.08Å; P398-S406 PolarHBondContact O-OG 3.23Å; P398-Y409 HydrophobicContact CB-CD1 3.58Å; P398-Y409 HydrophobicContact CB-CE1 3.79Å; P398-Y409 HydrophobicContact CB-CG 4.37Å; P398-Y409 HydrophobicContact CG-CD1 3.7Å; P398-Y409 HydrophobicContact CG-CE1 3.34Å; P398-F425 HydrophobicContact CG-CE1 4.25Å; P398-F425 HydrophobicContact CG-CE2 3.88Å; P398-F425 HydrophobicContact CG-CZ 3.62Å; P398-F436 HydrophobicContact CB-CZ 4.25Å; P398-F436 HydrophobicContact CG-CZ 4.19Å
399	G	95.2	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17.5	176.2	0	0	0	0	0	114	P397 S576 L579	P397-G399 VanDerWaalsContact C-N 3.27Å; P397-G399 PolarHBondContact O-N 2.89Å; P397-G399 VanDerWaalsContact O-N 3.12Å; G399-S576 WeakPolarHBondContact O-CA 3.4Å; G399-S576 WeakPolarHBondContact O-CB 3.4Å; G399-L579 WeakPolarHBondContact O-CD1 3.3Å
400	L	95.3	Very high	97.8	Very high	47 Å²	47	11.4 Å²	11.4	25%	0.246	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-92.3	-11.5	176.8	-64.1	-178.3	0	0	0	113.6	R357 I396 P397 P398 T428 F570 L579	R357-L400 PolarHBondContact NE-O 2.62Å; I396-L400 HydrophobicContact CG2-CB 3.9Å; P397-L400 HydrophobicContact CG-CD1 3.7Å; P397-L400 HydrophobicContact CG-CG 4.01Å; P397-L400 PolarHBondContact O-N 3.43Å; P398-L400 PolarHBondContact O-N 3.42Å; L400-T428 HydrophobicContact CD1-CG2 4.21Å; L400-F570 HydrophobicContact CD1-CE2 4.38Å; L400-F570 HydrophobicContact CD2-CE2 3.86Å; L400-F570 HydrophobicContact CG-CE2 4.08Å; L400-L579 HydrophobicContact CD2-CD1 4.4Å
401	C	97.3	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-65.8	164.6	-178.7	-65.9	0	0	0	0	114	C355 P398 W405 S576	C355-C401 HydrophobicContact CB-CB 3.47Å; C355-C401 VanDerWaalsContact CB-CB 3.47Å; C355-C401 WeakPolarHBondContact CB-SG 3.39Å; C355-C401 CarbonylContact O-C 3.51Å; C355-C401 WeakPolarHBondContact O-CA 3.09Å; C355-C401 WeakPolarHBondContact SG-CB 3.2Å; C355-C401 CovalentContact SG-SG 2.03Å; C355-C401 PolarHBondContact SG-SG 3.35Å; P398-C401 WeakPolarHBondContact O-CB 3.3Å; P398-C401 PolarHBondContact O-N 3.39Å; C401-W405 HydrophobicContact CB-CE3 3.81Å; C401-W405 HydrophobicContact CB-CZ3 4.43Å; C401-W405 VanDerWaalsContact SG-CZ3 3.55Å; C401-S576 WeakPolarHBondContact O-CB 3.16Å; C401-S576 PolarHBondContact O-OG 3.34Å
402	L	95.9	Very high	97.8	Very high	27 Å²	27	13.9 Å²	13.9	14%	0.141	8%	0.078	C	C	.	.			trans	-51.6	141.7	167.1	-73.1	170.5	0	0	0	111.4	Y140 C355 R357 L362 S404 W405 S406	Y140-L402 HydrophobicContact CD1-CD1 4.08Å; Y140-L402 HydrophobicContact CD1-CD2 4.08Å; Y140-L402 HydrophobicContact CE1-CD1 3.75Å; Y140-L402 HydrophobicContact CE1-CD2 3.89Å; C355-L402 WeakPolarHBondContact O-CG 3.37Å; C355-L402 PolarHBondContact O-N 3.02Å; R357-L402 HydrophobicContact CG-CD2 4.09Å; R357-L402 HydrophobicContact CG-CG 4.43Å; L362-L402 HydrophobicContact CB-CD1 4.25Å; L362-L402 HydrophobicContact CD1-CD1 3.58Å; L402-S404 PolarHBondContact O-N 2.03Å; L402-W405 HydrophobicContact CB-CB 4.47Å; L402-W405 PolarHBondContact O-N 3.33Å; L402-W405 VanDerWaalsContact O-N 3.09Å; L402-S406 WeakPolarHBondContact O-CB 3.38Å; L402-S406 PolarHBondContact O-N 2.89Å
403	G	94.9	Very high	97.8	Very high	43 Å²	43	14 Å²	14	44%	0.443	8%	0.078	S	C	.	.	H	α-helix	trans	-48.7	-55.4	-171.6	0	0	0	0	0	114.4	W405 S406 W407 S576	G403-W405 PolarHBondContact O-N 3.27Å; G403-S406 PolarHBondContact O-N 3.43Å; G403-W407 VanDerWaalsContact O-CB 3.31Å; G403-W407 WeakPolarHBondContact O-CB 3.25Å; G403-W407 PolarHBondContact O-N 2.96Å; G403-S576 WeakPolarHBondContact CA-OG 3.32Å
404	S	97.1	Very high	97.7	Very high	28 Å²	28	14.6 Å²	14.6	20%	0.196	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-39.2	-179.7	-58.8	0	0	0	0	113	P142 L402 N408	P142-S404 WeakPolarHBondContact CA-OG 3.44Å; L402-S404 PolarHBondContact O-N 2.03Å; S404-N408 PolarHBondContact O-N 3.39Å; S404-N408 PolarHBondContact O-ND2 3.21Å
405	W	98.6	Very high	97.7	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-49	177.9	-165.8	103.7	0	0	0	110.8	W143 M352 C355 L373 C401 L402 G403 W407 N408 Y409	W143-W405 HydrophobicContact CH2-CB 4.41Å; W143-W405 AromaticContact CH2-CD1 3.97Å; W143-W405 HydrophobicContact CH2-CG 4.39Å; W143-W405 HydrophobicContact CZ2-CB 3.94Å; W143-W405 AromaticContact CZ2-CD1 3.94Å; W143-W405 HydrophobicContact CZ2-CG 4.27Å; M352-W405 HydrophobicContact CE-CH2 3.43Å; M352-W405 VanDerWaalsContact CE-CH2 3.43Å; M352-W405 HydrophobicContact CE-CZ2 4.41Å; M352-W405 HydrophobicContact CE-CZ3 3.69Å; M352-W405 HydrophobicContact SD-CH2 3.88Å; M352-W405 HydrophobicContact SD-CZ2 4.44Å; C355-W405 HydrophobicContact CB-CB 4.1Å; C355-W405 HydrophobicContact CB-CD2 3.22Å; C355-W405 HydrophobicContact CB-CE3 3.44Å; C355-W405 VanDerWaalsContact CB-CE3 3.44Å; C355-W405 HydrophobicContact CB-CG 3.51Å; C355-W405 HydrophobicContact CB-CH2 4.36Å; C355-W405 HydrophobicContact CB-CZ2 4.16Å; C355-W405 HydrophobicContact CB-CZ3 4.02Å; L373-W405 HydrophobicContact CD1-CD2 4.18Å; L373-W405 HydrophobicContact CD1-CG 4.27Å; L373-W405 HydrophobicContact CD2-CD2 4.47Å; L373-W405 HydrophobicContact CD2-CH2 4.01Å; L373-W405 HydrophobicContact CD2-CZ2 3.45Å; L373-W405 VanDerWaalsContact CD2-CZ2 3.45Å; L373-W405 HydrophobicContact CG-CZ2 4.14Å; C401-W405 HydrophobicContact CB-CE3 3.81Å; C401-W405 HydrophobicContact CB-CZ3 4.43Å; C401-W405 VanDerWaalsContact SG-CZ3 3.55Å; L402-W405 HydrophobicContact CB-CB 4.47Å; L402-W405 PolarHBondContact O-N 3.33Å; L402-W405 VanDerWaalsContact O-N 3.09Å; G403-W405 PolarHBondContact O-N 3.27Å; W405-W407 VanDerWaalsContact C-N 3.32Å; W405-W407 PolarHBondContact O-N 2.76Å; W405-N408 PolarHBondContact O-N 3.21Å; W405-Y409 AromaticContact CH2-CD2 3.55Å; W405-Y409 HydrophobicContact CH2-CD2 3.55Å; W405-Y409 HydrophobicContact CH2-CE2 4.24Å; W405-Y409 AromaticContact CH2-CG 3.98Å; W405-Y409 HydrophobicContact CH2-CG 3.98Å; W405-Y409 HydrophobicContact CZ2-CD2 4.46Å; W405-Y409 AromaticContact CZ3-CD2 3.77Å; W405-Y409 HydrophobicContact CZ3-CD2 3.77Å; W405-Y409 AromaticContact CZ3-CG 3.68Å; W405-Y409 HydrophobicContact CZ3-CG 3.68Å; W405-Y409 WeakPolarHBondContact O-CB 3.4Å; W405-Y409 PolarHBondContact O-N 3.2Å
406	S	98.4	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-44.1	178.2	-169.5	0	0	0	0	111.4	P398 L402 G403 Y409 Y410 R575 S576	P398-S406 WeakPolarHBondContact O-CB 3.08Å; P398-S406 PolarHBondContact O-OG 3.23Å; L402-S406 WeakPolarHBondContact O-CB 3.38Å; L402-S406 PolarHBondContact O-N 2.89Å; G403-S406 PolarHBondContact O-N 3.43Å; S406-Y409 PolarHBondContact O-N 3.17Å; S406-Y410 WeakPolarHBondContact O-CB 3.24Å; S406-Y410 PolarHBondContact O-N 2.98Å; S406-R575 WeakPolarHBondContact OG-CA 3.34Å; S406-S576 VanDerWaalsContact CB-OG 3.28Å; S406-S576 WeakPolarHBondContact CB-OG 3.4Å; S406-S576 PolarHBondContact OG-N 2.99Å
407	W	97.7	Very high	97.6	Very high	89 Å²	89	16.5 Å²	16.5	34%	0.337	9%	0.09	S	C	.	.	H	α-helix	trans	-62.9	-45.4	178	-161.6	99.3	0	0	0	112.3	G403 W405 Y410 H411	G403-W407 VanDerWaalsContact O-CB 3.31Å; G403-W407 WeakPolarHBondContact O-CB 3.25Å; G403-W407 PolarHBondContact O-N 2.96Å; W405-W407 VanDerWaalsContact C-N 3.32Å; W405-W407 PolarHBondContact O-N 2.76Å; W407-Y410 WeakPolarHBondContact O-CB 3.37Å; W407-Y410 PolarHBondContact O-N 3.32Å; W407-H411 HydrophobicContact CE3-CB 4.28Å; W407-H411 HydrophobicContact CZ3-CB 4Å; W407-H411 WeakPolarHBondContact O-CB 3.42Å; W407-H411 PolarHBondContact O-N 3.21Å
408	N	98.8	Very high	97.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-66.8	-39.9	177	-78.1	-73.2	0	0	0	112.4	W143 N144 I145 L373 S404 W405 Y410 H411 I412	W143-N408 HydrophobicContact CH2-CB 4.39Å; W143-N408 HydrophobicContact CZ3-CB 4.07Å; W143-N408 PolarHBondContact O-ND2 2.91Å; N144-N408 WeakPolarHBondContact CA-OD1 3.19Å; I145-N408 HydrophobicContact CB-CB 4.42Å; I145-N408 HydrophobicContact CG2-CB 4.39Å; I145-N408 PolarHBondContact N-OD1 3.02Å; L373-N408 HydrophobicContact CD1-CB 3.58Å; S404-N408 PolarHBondContact O-N 3.39Å; S404-N408 PolarHBondContact O-ND2 3.21Å; W405-N408 PolarHBondContact O-N 3.21Å; N408-Y410 VanDerWaalsContact C-N 3.35Å; N408-H411 WeakPolarHBondContact O-CB 3.37Å; N408-H411 PolarHBondContact O-N 2.83Å; N408-I412 WeakPolarHBondContact O-CD1 3.04Å; N408-I412 WeakPolarHBondContact O-CG1 3.25Å; N408-I412 PolarHBondContact O-N 3Å
409	Y	98.8	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-46.9	173.9	-177.4	-91.3	0	0	0	111.2	L350 L373 L376 I392 P398 W405 S406 H411 I412 V413 Q423 F436	L350-Y409 HydrophobicContact CD1-CD2 4.4Å; L350-Y409 HydrophobicContact CD1-CE2 3.69Å; L373-Y409 HydrophobicContact CD2-CD2 4.15Å; L376-Y409 HydrophobicContact CD2-CD2 4.14Å; L376-Y409 HydrophobicContact CD2-CE2 4.04Å; I392-Y409 HydrophobicContact CD1-CE2 4.41Å; P398-Y409 HydrophobicContact CB-CD1 3.58Å; P398-Y409 HydrophobicContact CB-CE1 3.79Å; P398-Y409 HydrophobicContact CB-CG 4.37Å; P398-Y409 HydrophobicContact CG-CD1 3.7Å; P398-Y409 HydrophobicContact CG-CE1 3.34Å; W405-Y409 AromaticContact CH2-CD2 3.55Å; W405-Y409 HydrophobicContact CH2-CD2 3.55Å; W405-Y409 HydrophobicContact CH2-CE2 4.24Å; W405-Y409 AromaticContact CH2-CG 3.98Å; W405-Y409 HydrophobicContact CH2-CG 3.98Å; W405-Y409 HydrophobicContact CZ2-CD2 4.46Å; W405-Y409 AromaticContact CZ3-CD2 3.77Å; W405-Y409 HydrophobicContact CZ3-CD2 3.77Å; W405-Y409 AromaticContact CZ3-CG 3.68Å; W405-Y409 HydrophobicContact CZ3-CG 3.68Å; W405-Y409 WeakPolarHBondContact O-CB 3.4Å; W405-Y409 PolarHBondContact O-N 3.2Å; S406-Y409 PolarHBondContact O-N 3.17Å; Y409-H411 VanDerWaalsContact C-N 3.27Å; Y409-H411 PolarHBondContact O-N 2.76Å; Y409-I412 WeakPolarHBondContact O-CB 3.34Å; Y409-I412 PolarHBondContact O-N 3.3Å; Y409-I412 VanDerWaalsContact O-N 3.16Å; Y409-V413 HydrophobicContact CD1-CG2 3.93Å; Y409-V413 HydrophobicContact CE1-CG2 3.5Å; Y409-V413 WeakPolarHBondContact O-CG2 3.35Å; Y409-V413 PolarHBondContact O-N 3.36Å; Y409-Q423 PolarHBondContact OH-OE1 3.26Å; Y409-F436 HydrophobicContact CD1-CE1 4.18Å; Y409-F436 HydrophobicContact CD1-CZ 4.39Å; Y409-F436 HydrophobicContact CE1-CE1 4.1Å; Y409-F436 HydrophobicContact CE1-CZ 4Å
410	Y	98.6	Very high	97.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.9	-41.3	175.5	-162	-83.3	0	0	0	111.7	S406 W407 N408 V413 N414 F436 Y437 E439 M442 R575	S406-Y410 WeakPolarHBondContact O-CB 3.24Å; S406-Y410 PolarHBondContact O-N 2.98Å; W407-Y410 WeakPolarHBondContact O-CB 3.37Å; W407-Y410 PolarHBondContact O-N 3.32Å; N408-Y410 VanDerWaalsContact C-N 3.35Å; Y410-V413 PolarHBondContact O-N 3.08Å; Y410-N414 PolarHBondContact O-N 2.92Å; Y410-F436 AromaticContact CD2-CD1 3.34Å; Y410-F436 HydrophobicContact CD2-CD1 3.34Å; Y410-F436 AromaticContact CD2-CE1 3.54Å; Y410-F436 HydrophobicContact CD2-CE1 3.54Å; Y410-F436 HydrophobicContact CD2-CG 4.35Å; Y410-F436 HydrophobicContact CE2-CB 4.26Å; Y410-F436 AromaticContact CE2-CD1 3.48Å; Y410-F436 HydrophobicContact CE2-CD1 3.48Å; Y410-F436 VanDerWaalsContact CE2-CD1 3.48Å; Y410-F436 HydrophobicContact CE2-CE1 4.07Å; Y410-F436 HydrophobicContact CE2-CG 4.08Å; Y410-F436 HydrophobicContact CG-CD1 4.09Å; Y410-F436 HydrophobicContact CG-CE1 4.3Å; Y410-Y437 VanDerWaalsContact CE1-O 3.28Å; Y410-Y437 WeakPolarHBondContact CE1-O 3.3Å; Y410-Y437 WeakPolarHBondContact OH-CA 3.34Å; Y410-Y437 WeakPolarHBondContact OH-CB 3.5Å; Y410-Y437 PolarHBondContact OH-N 3.38Å; Y410-Y437 PolarHBondContact OH-O 2.81Å; Y410-E439 HydrophobicContact CD1-CG 4.02Å; Y410-E439 HydrophobicContact CE1-CG 4.06Å; Y410-M442 HydrophobicContact CE1-CE 4.25Å; Y410-M442 HydrophobicContact CE1-SD 4.36Å; Y410-M442 VanDerWaalsContact OH-CE 3.27Å; Y410-M442 WeakPolarHBondContact OH-CE 3.35Å; Y410-R575 HydrophobicContact CD2-CB 3.63Å; Y410-R575 HydrophobicContact CD2-CG 4.24Å; Y410-R575 HydrophobicContact CE2-CB 4.03Å; Y410-R575 HydrophobicContact CG-CB 4.09Å; Y410-R575 HydrophobicContact CG-CG 4.22Å
411	H	98.2	Very high	97.9	Very high	51 Å²	51	17.7 Å²	17.7	24%	0.236	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-41.4	176.3	-171	63.1	0	0	0	113.3	L147 W407 N408 Y409 N414 R415 E439	L147-H411 WeakPolarHBondContact CD1-NE2 3.35Å; W407-H411 HydrophobicContact CE3-CB 4.28Å; W407-H411 HydrophobicContact CZ3-CB 4Å; W407-H411 WeakPolarHBondContact O-CB 3.42Å; W407-H411 PolarHBondContact O-N 3.21Å; N408-H411 WeakPolarHBondContact O-CB 3.37Å; N408-H411 PolarHBondContact O-N 2.83Å; Y409-H411 VanDerWaalsContact C-N 3.27Å; Y409-H411 PolarHBondContact O-N 2.76Å; H411-N414 WeakPolarHBondContact O-CB 3.44Å; H411-N414 PolarHBondContact O-N 3.47Å; H411-R415 PolarHBondContact O-N 2.84Å; H411-E439 VanDerWaalsContact CA-OE1 3.23Å; H411-E439 WeakPolarHBondContact CA-OE1 3.3Å; H411-E439 IonicContact CE1-OE1 3.31Å; H411-E439 IonicContact CE1-OE2 3.95Å; H411-E439 IonicContact CG-OE1 2.68Å; H411-E439 IonicContact CG-OE2 3.39Å; H411-E439 VanDerWaalsContact ND1-CD 3.26Å; H411-E439 IonicContact ND1-OE1 3.13Å; H411-E439 PolarHBondContact ND1-OE1 3.45Å; H411-E439 IonicContact ND1-OE2 3.05Å; H411-E439 PolarHBondContact ND1-OE2 3.33Å
412	I	98.9	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-46.4	174.7	-67.7	164.6	0	0	0	110.4	I145 L147 L373 L376 V377 L380 N408 Y409 N414 R415 Y416	I145-I412 HydrophobicContact CG2-CD1 4.19Å; I145-I412 HydrophobicContact CG2-CG1 4.11Å; L147-I412 HydrophobicContact CD2-CG1 4.25Å; L373-I412 HydrophobicContact CB-CD1 3.94Å; L373-I412 HydrophobicContact CD1-CD1 4.28Å; L373-I412 HydrophobicContact CD2-CD1 4.14Å; L373-I412 HydrophobicContact CG-CD1 4.36Å; L376-I412 HydrophobicContact CD2-CD1 4.4Å; L376-I412 HydrophobicContact CD2-CG2 4.06Å; L376-I412 HydrophobicContact CG-CG2 4.26Å; V377-I412 HydrophobicContact CG2-CD1 3.65Å; V377-I412 HydrophobicContact CG2-CG1 3.64Å; V377-I412 HydrophobicContact CG2-CG2 4.37Å; L380-I412 HydrophobicContact CD1-CG2 3.32Å; N408-I412 WeakPolarHBondContact O-CD1 3.04Å; N408-I412 WeakPolarHBondContact O-CG1 3.25Å; N408-I412 PolarHBondContact O-N 3Å; Y409-I412 WeakPolarHBondContact O-CB 3.34Å; Y409-I412 PolarHBondContact O-N 3.3Å; Y409-I412 VanDerWaalsContact O-N 3.16Å; I412-N414 VanDerWaalsContact C-N 3.29Å; I412-N414 PolarHBondContact O-N 3.25Å; I412-R415 PolarHBondContact O-N 3.45Å; I412-Y416 HydrophobicContact CG2-CD2 3.94Å; I412-Y416 HydrophobicContact CG2-CE2 4.39Å; I412-Y416 VanDerWaalsContact O-CD2 3.32Å; I412-Y416 WeakPolarHBondContact O-CD2 3.38Å; I412-Y416 PolarHBondContact O-N 3.43Å
413	V	98.6	Very high	98.1	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-42.1	177.3	174.4	0	0	0	0	110.7	Y409 Y410 R415 Y416 E417 I420 F436 L446	Y409-V413 HydrophobicContact CD1-CG2 3.93Å; Y409-V413 HydrophobicContact CE1-CG2 3.5Å; Y409-V413 WeakPolarHBondContact O-CG2 3.35Å; Y409-V413 PolarHBondContact O-N 3.36Å; Y410-V413 PolarHBondContact O-N 3.08Å; V413-R415 PolarHBondContact O-N 3.21Å; V413-Y416 CarbonylContact O-C 3.42Å; V413-Y416 PolarHBondContact O-N 3.46Å; V413-E417 WeakPolarHBondContact O-CA 3.49Å; V413-E417 PolarHBondContact O-N 3.2Å; V413-I420 HydrophobicContact CB-CD1 4.37Å; V413-I420 HydrophobicContact CG2-CD1 4.06Å; V413-F436 HydrophobicContact CB-CD1 4.12Å; V413-F436 HydrophobicContact CB-CE1 4.33Å; V413-F436 HydrophobicContact CG1-CB 4.43Å; V413-F436 HydrophobicContact CG1-CD1 3.81Å; V413-F436 HydrophobicContact CG1-CE1 4.34Å; V413-F436 HydrophobicContact CG1-CG 4.15Å; V413-F436 HydrophobicContact CG2-CD1 4.45Å; V413-F436 HydrophobicContact CG2-CE1 4.19Å; V413-L446 HydrophobicContact CG1-CD1 3.86Å
414	N	97.9	Very high	98.3	Very high	12 Å²	12	14.8 Å²	14.8	6%	0.064	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-45.6	175.5	-131.3	-74.5	0	0	0	112.2	K152 Y410 H411 I412 Y416 Y437 E439 L446	K152-N414 WeakPolarHBondContact CE-O 3.1Å; K152-N414 PolarHBondContact NZ-O 3.34Å; K152-N414 PolarHBondContact NZ-OD1 2.94Å; Y410-N414 PolarHBondContact O-N 2.92Å; H411-N414 WeakPolarHBondContact O-CB 3.44Å; H411-N414 PolarHBondContact O-N 3.47Å; I412-N414 VanDerWaalsContact C-N 3.29Å; I412-N414 PolarHBondContact O-N 3.25Å; N414-Y416 VanDerWaalsContact C-N 3.32Å; N414-Y416 PolarHBondContact O-N 3.33Å; N414-Y437 PolarHBondContact ND2-O 2.85Å; N414-E439 HydrophobicContact CB-CG 4.38Å; N414-E439 WeakPolarHBondContact CB-OE1 3.24Å; N414-E439 PolarHBondContact ND2-N 3.06Å; N414-E439 VanDerWaalsContact ND2-N 3.15Å; N414-L446 WeakPolarHBondContact ND2-CD2 3.37Å
415	R	98.4	Very high	98.4	Very high	19 Å²	19	13.4 Å²	13.4	7%	0.072	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-39.1	179.3	171.9	59.2	-173.2	69.3	3	112	L147 V150 E384 H411 I412 V413	L147-R415 HydrophobicContact CD1-CB 3.68Å; L147-R415 HydrophobicContact CD1-CG 3.81Å; L147-R415 HydrophobicContact CD2-CB 4.43Å; L147-R415 HydrophobicContact CD2-CG 4.37Å; V150-R415 PolarHBondContact O-NE 3.24Å; V150-R415 PolarHBondContact O-NH2 2.86Å; E384-R415 IonicContact OE1-CZ 3.62Å; E384-R415 IonicContact OE1-NH1 3.61Å; E384-R415 PolarHBondContact OE1-NH1 3.01Å; E384-R415 IonicContact OE1-NH2 2.67Å; E384-R415 PolarHBondContact OE1-NH2 2.98Å; E384-R415 IonicContact OE2-CZ 2.74Å; E384-R415 IonicContact OE2-NH1 3.82Å; E384-R415 PolarHBondContact OE2-NH1 2.96Å; E384-R415 IonicContact OE2-NH2 3.4Å; H411-R415 PolarHBondContact O-N 2.84Å; I412-R415 PolarHBondContact O-N 3.45Å; V413-R415 PolarHBondContact O-N 3.21Å
416	Y	98.6	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	27	-171.9	-64.3	-70.2	0	0	0	113.4	L147 P148 L380 Q381 I412 V413 N414 S418 T419 I420	L147-Y416 HydrophobicContact CD2-CE2 4.31Å; P148-Y416 WeakPolarHBondContact CD-OH 3.37Å; L380-Y416 HydrophobicContact CB-CD1 3.97Å; L380-Y416 HydrophobicContact CB-CD2 3.71Å; L380-Y416 HydrophobicContact CB-CE1 4.17Å; L380-Y416 HydrophobicContact CB-CE2 3.91Å; L380-Y416 HydrophobicContact CB-CG 3.74Å; L380-Y416 HydrophobicContact CD1-CD2 3.59Å; L380-Y416 HydrophobicContact CD1-CE2 4.26Å; L380-Y416 HydrophobicContact CD1-CG 4.03Å; L380-Y416 HydrophobicContact CG-CD2 4.29Å; L380-Y416 HydrophobicContact CG-CG 4.43Å; Q381-Y416 HydrophobicContact CB-CE1 4.3Å; Q381-Y416 PolarHBondContact OE1-OH 2.96Å; I412-Y416 HydrophobicContact CG2-CD2 3.94Å; I412-Y416 HydrophobicContact CG2-CE2 4.39Å; I412-Y416 VanDerWaalsContact O-CD2 3.32Å; I412-Y416 WeakPolarHBondContact O-CD2 3.38Å; I412-Y416 PolarHBondContact O-N 3.43Å; V413-Y416 CarbonylContact O-C 3.42Å; V413-Y416 PolarHBondContact O-N 3.46Å; N414-Y416 VanDerWaalsContact C-N 3.32Å; N414-Y416 PolarHBondContact O-N 3.33Å; Y416-S418 PolarHBondContact O-N 3.07Å; Y416-S418 VanDerWaalsContact O-N 3.1Å; Y416-T419 WeakPolarHBondContact O-CA 3.07Å; Y416-T419 PolarHBondContact O-N 2.87Å; Y416-I420 PolarHBondContact O-N 3.13Å
417	E	97.8	Very high	98.4	Very high	25 Å²	25	15.2 Å²	15.2	12%	0.117	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27	-177.4	67.3	174.4	116.9	0	0	114.2	K152 V155 V413 R444 L446	K152-E417 WeakPolarHBondContact CE-OE1 3.39Å; K152-E417 IonicContact NZ-OE1 3.83Å; K152-E417 PolarHBondContact NZ-OE1 3.3Å; V155-E417 WeakPolarHBondContact CG2-OE1 3.24Å; V413-E417 WeakPolarHBondContact O-CA 3.49Å; V413-E417 PolarHBondContact O-N 3.2Å; E417-R444 IonicContact OE1-CZ 2.63Å; E417-R444 IonicContact OE1-NH1 3.43Å; E417-R444 IonicContact OE1-NH2 3.39Å; E417-R444 PolarHBondContact OE1-NH2 2.88Å; E417-R444 IonicContact OE2-CZ 3.74Å; E417-R444 IonicContact OE2-NH1 3.18Å; E417-R444 PolarHBondContact OE2-NH1 3.01Å; E417-R444 IonicContact OE2-NH2 2.79Å; E417-R444 PolarHBondContact OE2-NH2 3.49Å; E417-L446 HydrophobicContact CB-CB 4.28Å; E417-L446 HydrophobicContact CB-CD1 4.2Å; E417-L446 WeakPolarHBondContact OE2-CB 3.48Å
418	S	96.8	Very high	98.5	Very high	35 Å²	35	12.3 Å²	12.3	25%	0.245	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.4	175.7	-63.3	0	0	0	0	113.4	K389 Y416	K389-S418 PolarHBondContact NZ-O 3.29Å; Y416-S418 PolarHBondContact O-N 3.07Å; Y416-S418 VanDerWaalsContact O-N 3.1Å
419	T	98.5	Very high	98.5	Very high	6 Å²	6	13 Å²	13	4%	0.037	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-39.2	-175.2	-60.3	0	0	0	0	111.2	L380 K389 V390 Y416	L380-T419 HydrophobicContact CD2-CG2 4.48Å; K389-T419 CarbonylContact C-O 3.57Å; K389-T419 WeakPolarHBondContact CA-O 3.49Å; V390-T419 HydrophobicContact CB-CG2 4.44Å; V390-T419 HydrophobicContact CG2-CG2 3.83Å; V390-T419 PolarHBondContact N-O 3.1Å; Y416-T419 WeakPolarHBondContact O-CA 3.07Å; Y416-T419 PolarHBondContact O-N 2.87Å
420	I	98.8	Very high	98.5	Very high	17 Å²	17	14.4 Å²	14.4	9%	0.087	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.9	177.4	-58.2	167.9	0	0	0	109.1	L380 V390 I392 V413 Y416 Q423	L380-I420 HydrophobicContact CD1-CD1 3.99Å; L380-I420 HydrophobicContact CD1-CG1 4.43Å; L380-I420 HydrophobicContact CD2-CD1 4.17Å; L380-I420 HydrophobicContact CD2-CG1 3.71Å; V390-I420 WeakPolarHBondContact O-CA 3.35Å; I392-I420 HydrophobicContact CD1-CD1 3.88Å; I392-I420 HydrophobicContact CD1-CG1 4.21Å; I392-I420 HydrophobicContact CD1-CG2 4.15Å; I392-I420 HydrophobicContact CG1-CG2 4.45Å; V413-I420 HydrophobicContact CB-CD1 4.37Å; V413-I420 HydrophobicContact CG2-CD1 4.06Å; Y416-I420 PolarHBondContact O-N 3.13Å; I420-Q423 HydrophobicContact CG2-CG 3.81Å
421	T	98.1	Very high	98.5	Very high	14 Å²	14	14.7 Å²	14.7	9%	0.086	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-1.8	-175.4	62.6	0	0	0	0	113.4	K389 V390 H391 S478 R479 L480	K389-T421 HydrophobicContact CB-CG2 3.79Å; K389-T421 HydrophobicContact CD-CG2 3.68Å; K389-T421 HydrophobicContact CG-CG2 3.83Å; V390-T421 PolarHBondContact O-N 3.42Å; H391-T421 PolarHBondContact CD2-OG1 3.26Å; H391-T421 PolarHBondContact NE2-OG1 2.86Å; T421-S478 VanDerWaalsContact CG2-O 3.22Å; T421-S478 WeakPolarHBondContact CG2-O 3.31Å; T421-R479 WeakPolarHBondContact CB-O 3.41Å; T421-R479 PolarHBondContact OG1-O 3.32Å; T421-L480 HydrophobicContact CG2-CD2 4.36Å; T421-L480 WeakPolarHBondContact O-CD2 3.22Å
422	G	98.5	Very high	98.5	Very high	4 Å²	4	12.6 Å²	12.6	4%	0.041	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	140.2	174.1	0	0	0	0	0	111	H391 I392	H391-G422 CarbonylContact C-O 3.6Å; H391-G422 WeakPolarHBondContact CA-O 3.16Å; I392-G422 PolarHBondContact N-O 2.87Å
423	Q	98.9	Very high	98.5	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.019	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.3	176.3	-70.2	-179.7	103.8	0	0	107.4	I392 Y409 I420 F425 A449 F450	I392-Q423 HydrophobicContact CB-CG 4.4Å; I392-Q423 CarbonylContact O-C 3.54Å; I392-Q423 WeakPolarHBondContact O-CA 3.32Å; Y409-Q423 PolarHBondContact OH-OE1 3.26Å; I420-Q423 HydrophobicContact CG2-CG 3.81Å; Q423-F425 HydrophobicContact CB-CE2 4.04Å; Q423-A449 HydrophobicContact CB-CB 3.92Å; Q423-F450 PolarHBondContact O-N 3.09Å
424	F	98.9	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	123.3	-169.3	-47.5	-92.1	0	0	0	111.5	F172 Y243 H391 I392 I393 G394 F450 Y468 V481	F172-F424 HydrophobicContact CD2-CB 4.12Å; F172-F424 HydrophobicContact CE2-CB 3.38Å; F172-F424 HydrophobicContact CE2-CG 4.3Å; F172-F424 HydrophobicContact CZ-CB 4.04Å; Y243-F424 HydrophobicContact CD2-CD2 4.05Å; Y243-F424 HydrophobicContact CD2-CE2 4.37Å; Y243-F424 HydrophobicContact CD2-CG 4.18Å; Y243-F424 AromaticContact CE2-CD2 3.77Å; Y243-F424 HydrophobicContact CE2-CD2 3.77Å; Y243-F424 AromaticContact CE2-CE2 3.7Å; Y243-F424 HydrophobicContact CE2-CE2 3.7Å; Y243-F424 HydrophobicContact CE2-CG 4.32Å; Y243-F424 HydrophobicContact CE2-CZ 4.18Å; H391-F424 HydrophobicContact CB-CE2 3.99Å; H391-F424 AromaticContact CG-CE2 3.75Å; H391-F424 AromaticContact ND1-CE2 3.65Å; I392-F424 PolarHBondContact O-N 3.31Å; I393-F424 WeakPolarHBondContact CA-O 3.29Å; I393-F424 HydrophobicContact CG2-CB 4.15Å; I393-F424 HydrophobicContact CG2-CD2 4.04Å; G394-F424 PolarHBondContact N-O 2.94Å; F424-F450 WeakPolarHBondContact CA-O 3.4Å; F424-F450 HydrophobicContact CD1-CD2 4.39Å; F424-F450 HydrophobicContact CE1-CD2 4.26Å; F424-Y468 HydrophobicContact CD1-CD1 4.44Å; F424-Y468 HydrophobicContact CD1-CD2 4Å; F424-Y468 HydrophobicContact CD1-CE1 4.15Å; F424-Y468 AromaticContact CD1-CE2 3.66Å; F424-Y468 HydrophobicContact CD1-CE2 3.66Å; F424-Y468 HydrophobicContact CD1-CG 4.38Å; F424-Y468 AromaticContact CD1-CZ 3.75Å; F424-Y468 AromaticContact CE1-CD1 3.99Å; F424-Y468 HydrophobicContact CE1-CD1 3.99Å; F424-Y468 AromaticContact CE1-CD2 3.97Å; F424-Y468 HydrophobicContact CE1-CD2 3.97Å; F424-Y468 HydrophobicContact CE1-CE1 4.1Å; F424-Y468 HydrophobicContact CE1-CE2 4.06Å; F424-Y468 AromaticContact CE1-CG 3.93Å; F424-Y468 HydrophobicContact CE1-CG 3.93Å; F424-V481 HydrophobicContact CE1-CG2 3.62Å; F424-V481 HydrophobicContact CZ-CG2 3.61Å
425	F	98.9	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	171.6	-174.1	-61.4	-83.7	0	0	0	112.1	F172 M352 I392 G394 I396 P397 P398 Q423 A449 F450 I451 A452	F172-F425 WeakPolarHBondContact CZ-O 3.16Å; M352-F425 HydrophobicContact CE-CE1 3.72Å; M352-F425 HydrophobicContact CE-CZ 4.38Å; M352-F425 HydrophobicContact CG-CE1 4.2Å; M352-F425 HydrophobicContact SD-CE1 3.99Å; I392-F425 HydrophobicContact CG2-CZ 4.47Å; G394-F425 WeakPolarHBondContact O-CA 3.43Å; I396-F425 WeakPolarHBondContact O-CD1 3.06Å; P397-F425 HydrophobicContact CB-CB 4.18Å; P397-F425 HydrophobicContact CB-CG 4.37Å; P398-F425 HydrophobicContact CG-CE1 4.25Å; P398-F425 HydrophobicContact CG-CE2 3.88Å; P398-F425 HydrophobicContact CG-CZ 3.62Å; Q423-F425 HydrophobicContact CB-CE2 4.04Å; F425-A449 HydrophobicContact CD2-CB 3.87Å; F425-A449 HydrophobicContact CE2-CB 3.86Å; F425-F450 PolarHBondContact N-O 2.94Å; F425-I451 HydrophobicContact CB-CG1 4.32Å; F425-I451 WeakPolarHBondContact O-CA 3.41Å; F425-A452 PolarHBondContact O-N 2.86Å
426	G	98.8	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.			trans	-136	-127.3	176.3	0	0	0	0	0	110.3	H395 T428 I451	H395-G426 CarbonylContact O-C 3.47Å; H395-G426 PolarHBondContact O-N 2.92Å; G426-T428 PolarHBondContact O-N 3.04Å; G426-I451 WeakPolarHBondContact O-CG2 3.33Å
427	H	98.8	Very high	98.3	Very high	40 Å²	40	11.6 Å²	11.6	19%	0.185	6%	0.063	C	C	.	.	S	Bend	trans	70.3	-41.7	171.4	-175.7	69	0	0	0	115.7	D175 N288 H395 I396 H429	D175-H427 WeakPolarHBondContact OD1-CA 3.49Å; D175-H427 PolarHBondContact OD1-N 3.44Å; D175-H427 VanDerWaalsContact OD1-N 3.13Å; D175-H427 PolarHBondContact OD2-N 3.06Å; N288-H427 PolarHBondContact OD1-CE1 2.97Å; N288-H427 PolarHBondContact OD1-ND1 3.39Å; H395-H427 AromaticContact CD2-CG 3.92Å; H395-H427 AromaticContact CD2-ND1 3.6Å; H395-H427 WeakPolarHBondContact NE2-CB 3.2Å; H395-H427 AromaticContact NE2-CG 3.58Å; H395-H427 AromaticContact NE2-ND1 3.07Å; H395-H427 PolarHBondContact NE2-ND1 2.93Å; I396-H427 HydrophobicContact CG1-CB 4.45Å; H427-H429 PolarHBondContact O-CD2 3.23Å; H427-H429 PolarHBondContact O-N 3.37Å
428	T	98.6	Very high	98.2	Very high	27 Å²	27	11 Å²	11	17%	0.166	6%	0.061	C	C	.	.	S	Bend	trans	-74.8	-13	-178.7	73.8	0	0	0	0	112.8	P397 L400 G426 L430 E432 I451 F570	P397-T428 HydrophobicContact CG-CG2 3.97Å; L400-T428 HydrophobicContact CD1-CG2 4.21Å; G426-T428 PolarHBondContact O-N 3.04Å; T428-L430 WeakPolarHBondContact O-CD1 3.13Å; T428-L430 VanDerWaalsContact O-CG 3.32Å; T428-L430 WeakPolarHBondContact O-CG 3.41Å; T428-L430 PolarHBondContact O-N 3.29Å; T428-L430 PolarHBondContact OG1-N 3.13Å; T428-L430 PolarHBondContact OG1-O 3.2Å; T428-E432 VanDerWaalsContact CB-OE2 3.28Å; T428-E432 WeakPolarHBondContact CB-OE2 3.29Å; T428-E432 PolarHBondContact OG1-OE2 3.39Å; T428-I451 HydrophobicContact CG2-CG2 3.97Å; T428-I451 VanDerWaalsContact OG1-CG2 3.32Å; T428-I451 WeakPolarHBondContact OG1-CG2 3.18Å; T428-F570 HydrophobicContact CG2-CZ 4Å
429	H	98.8	Very high	98	Very high	17 Å²	17	11.8 Å²	11.8	8%	0.079	6%	0.061	C	C	.	.			trans	63.9	-3.9	-173.9	-61.7	-175.8	0	0	0	115.1	D175 H177 H251 H427 P453 S454 Y458 L461	D175-H429 IonicContact OD1-CD2 2.64Å; D175-H429 IonicContact OD1-NE2 2.71Å; D175-H429 IonicContact OD2-CD2 3.53Å; H177-H429 AromaticContact CD2-CE1 3.81Å; H177-H429 AromaticContact CD2-NE2 3.78Å; H177-H429 AromaticContact NE2-CE1 3.43Å; H177-H429 PolarHBondContact NE2-CE1 3.34Å; H177-H429 AromaticContact NE2-NE2 3.14Å; H177-H429 PolarHBondContact NE2-NE2 2.99Å; H177-H429 VanDerWaalsContact NE2-NE2 3.14Å; H251-H429 AromaticContact CE1-CE1 3.68Å; H251-H429 AromaticContact NE2-CE1 3.75Å; H427-H429 PolarHBondContact O-CD2 3.23Å; H427-H429 PolarHBondContact O-N 3.37Å; H429-P453 WeakPolarHBondContact O-CA 3.41Å; H429-S454 VanDerWaalsContact CB-OG 3.31Å; H429-S454 WeakPolarHBondContact CB-OG 3.47Å; H429-S454 PolarHBondContact O-N 2.88Å; H429-S454 PolarHBondContact O-OG 3.5Å; H429-Y458 PolarHBondContact ND1-O 3.24Å; H429-L461 HydrophobicContact CB-CD1 4.1Å; H429-L461 WeakPolarHBondContact O-CD1 3.37Å
430	L	98.7	Very high	97.7	Very high	29 Å²	29	20.3 Å²	20.3	15%	0.152	10%	0.1	C	C	.	.	S	Bend	trans	-110.4	154.7	-170.8	-63.4	159.3	0	0	0	109.8	T428 E432 L461 R550	T428-L430 WeakPolarHBondContact O-CD1 3.13Å; T428-L430 VanDerWaalsContact O-CG 3.32Å; T428-L430 WeakPolarHBondContact O-CG 3.41Å; T428-L430 PolarHBondContact O-N 3.29Å; T428-L430 PolarHBondContact OG1-N 3.13Å; T428-L430 PolarHBondContact OG1-O 3.2Å; L430-E432 HydrophobicContact CB-CG 3.94Å; L430-E432 PolarHBondContact O-N 2.79Å; L430-L461 HydrophobicContact CD2-CD1 4.04Å; L430-L461 HydrophobicContact CD2-CD2 3.92Å; L430-R550 HydrophobicContact CB-CG 4.06Å; L430-R550 VanDerWaalsContact CD1-CZ 3.47Å
431	D	98.7	Very high	97.3	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.032	12%	0.118	C	C	.	.	S	Bend	trans	-84.4	98.1	-179.7	-170.3	-20.8	0	0	0	110	P453 R466 T486 Y513 R550	D431-P453 HydrophobicContact CB-CB 3.96Å; D431-P453 HydrophobicContact CB-CG 3.89Å; D431-R466 IonicContact OD1-CZ 3.22Å; D431-R466 IonicContact OD1-NH2 2.75Å; D431-R466 PolarHBondContact OD1-NH2 3.4Å; D431-R466 IonicContact OD2-CZ 3.93Å; D431-R466 IonicContact OD2-NH2 2.98Å; D431-R466 PolarHBondContact OD2-NH2 3.11Å; D431-T486 PolarHBondContact OD2-OG1 2.86Å; D431-Y513 PolarHBondContact OD1-OH 2.93Å; D431-Y513 VanDerWaalsContact OD1-OH 3.07Å; D431-Y513 WeakPolarHBondContact OD2-CE1 3.28Å; D431-Y513 PolarHBondContact OD2-OH 2.88Å; D431-R550 PolarHBondContact N-O 3.26Å
432	E	97.9	Very high	97	Very high	6 Å²	6	25 Å²	25	3%	0.028	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	-177.7	-168.1	-58.2	-177	116.2	0	0	112.7	T428 L430 I451 R550 F570 L571	T428-E432 VanDerWaalsContact CB-OE2 3.28Å; T428-E432 WeakPolarHBondContact CB-OE2 3.29Å; T428-E432 PolarHBondContact OG1-OE2 3.39Å; L430-E432 HydrophobicContact CB-CG 3.94Å; L430-E432 PolarHBondContact O-N 2.79Å; E432-I451 HydrophobicContact CB-CB 4.11Å; E432-I451 HydrophobicContact CB-CD1 4.34Å; E432-I451 PolarHBondContact N-O 3.24Å; E432-I451 PolarHBondContact O-N 3.41Å; E432-R550 HydrophobicContact CG-CG 4Å; E432-R550 IonicContact OE1-CZ 3.25Å; E432-R550 IonicContact OE1-NE 3.34Å; E432-R550 PolarHBondContact OE1-NE 3.32Å; E432-R550 IonicContact OE1-NH2 3.08Å; E432-R550 PolarHBondContact OE1-NH2 3.3Å; E432-R550 IonicContact OE2-NH2 3.36Å; E432-F570 HydrophobicContact CB-CE1 4.07Å; E432-F570 HydrophobicContact CG-CE1 4.42Å; E432-F570 WeakPolarHBondContact OE2-CE1 3.3Å; E432-L571 HydrophobicContact CB-CD2 4.03Å
433	F	98.6	Very high	96.7	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	165.6	172.4	58.5	-86.6	0	0	0	110.5	M435 V448 A449 Y529 L533 F536 F546 L571	F433-M435 HydrophobicContact CD2-CG 4.22Å; F433-M435 HydrophobicContact CD2-SD 3.97Å; F433-M435 HydrophobicContact CE2-CG 4.06Å; F433-M435 HydrophobicContact CE2-SD 3.99Å; F433-V448 HydrophobicContact CB-CG1 3.97Å; F433-V448 HydrophobicContact CD2-CG1 4.35Å; F433-V448 HydrophobicContact CG-CG1 4.47Å; F433-A449 CarbonylContact C-O 3.59Å; F433-A449 WeakPolarHBondContact CA-O 3.43Å; F433-A449 WeakPolarHBondContact CB-O 3.36Å; F433-Y529 HydrophobicContact CB-CE1 4.41Å; F433-Y529 AromaticContact CD1-CD1 3.92Å; F433-Y529 HydrophobicContact CD1-CD1 3.92Å; F433-Y529 AromaticContact CD1-CE1 3.55Å; F433-Y529 HydrophobicContact CD1-CE1 3.55Å; F433-Y529 AromaticContact CD2-CD1 3.68Å; F433-Y529 HydrophobicContact CD2-CD1 3.68Å; F433-Y529 HydrophobicContact CD2-CE1 4.11Å; F433-Y529 AromaticContact CE1-CD1 3.83Å; F433-Y529 HydrophobicContact CE1-CD1 3.83Å; F433-Y529 AromaticContact CE1-CE1 3.71Å; F433-Y529 HydrophobicContact CE1-CE1 3.71Å; F433-Y529 AromaticContact CE2-CD1 3.59Å; F433-Y529 HydrophobicContact CE2-CD1 3.59Å; F433-Y529 HydrophobicContact CE2-CE1 4.25Å; F433-Y529 AromaticContact CG-CD1 3.84Å; F433-Y529 HydrophobicContact CG-CD1 3.84Å; F433-Y529 AromaticContact CG-CE1 3.75Å; F433-Y529 HydrophobicContact CG-CE1 3.75Å; F433-Y529 AromaticContact CZ-CD1 3.66Å; F433-Y529 HydrophobicContact CZ-CD1 3.66Å; F433-Y529 HydrophobicContact CZ-CE1 4.05Å; F433-L533 HydrophobicContact CE2-CD1 4.16Å; F433-L533 HydrophobicContact CE2-CD2 4.02Å; F433-L533 HydrophobicContact CE2-CG 4.02Å; F433-L533 HydrophobicContact CZ-CD2 3.85Å; F433-L533 HydrophobicContact CZ-CG 4.1Å; F433-F536 HydrophobicContact CE1-CE2 4.47Å; F433-F536 HydrophobicContact CZ-CE2 4.39Å; F433-F546 HydrophobicContact CE1-CE2 4.26Å; F433-L571 HydrophobicContact CD1-CD2 3.92Å; F433-L571 HydrophobicContact CD2-CB 4.43Å; F433-L571 HydrophobicContact CD2-CD2 4.48Å; F433-L571 HydrophobicContact CE1-CD1 4.03Å; F433-L571 HydrophobicContact CE1-CD2 3.95Å; F433-L571 HydrophobicContact CE1-CG 4.42Å; F433-L571 HydrophobicContact CE2-CB 3.97Å; F433-L571 HydrophobicContact CE2-CD2 4.5Å; F433-L571 HydrophobicContact CG-CD2 4.21Å; F433-L571 HydrophobicContact CZ-CB 4.09Å; F433-L571 HydrophobicContact CZ-CD1 3.94Å; F433-L571 HydrophobicContact CZ-CD2 4.25Å; F433-L571 HydrophobicContact CZ-CG 4.32Å; F433-L571 VanDerWaalsContact O-CA 3.31Å; F433-L571 WeakPolarHBondContact O-CA 3.43Å; F433-L571 WeakPolarHBondContact O-CD2 3.27Å
434	Q	98.2	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.1	170.5	-78.1	176.4	-11.6	0	0	110.7	V448 A449 I451 F570 L571 S573	Q434-V448 WeakPolarHBondContact O-CA 3.4Å; Q434-A449 HydrophobicContact CB-CB 4.29Å; Q434-A449 PolarHBondContact N-O 2.91Å; Q434-A449 PolarHBondContact O-N 3.14Å; Q434-I451 HydrophobicContact CG-CD1 3.95Å; Q434-F570 HydrophobicContact CG-CE1 4.42Å; Q434-F570 HydrophobicContact CG-CZ 4.4Å; Q434-F570 VanDerWaalsContact NE2-CE2 3.34Å; Q434-L571 CarbonylContact C-O 3.54Å; Q434-L571 WeakPolarHBondContact CA-O 3.25Å; Q434-S573 VanDerWaalsContact CD-O 3.3Å; Q434-S573 WeakPolarHBondContact CG-O 3.41Å
435	M	97.4	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.3	177.9	-65.1	-56.1	-65.8	0	0	112.4	F433 Y437 P445 V448 P526 N530 L533 L571 G574	F433-M435 HydrophobicContact CD2-CG 4.22Å; F433-M435 HydrophobicContact CD2-SD 3.97Å; F433-M435 HydrophobicContact CE2-CG 4.06Å; F433-M435 HydrophobicContact CE2-SD 3.99Å; M435-Y437 HydrophobicContact CB-CD2 4.36Å; M435-Y437 HydrophobicContact CB-CE2 3.5Å; M435-P445 HydrophobicContact CE-CB 3.85Å; M435-V448 HydrophobicContact CE-CG2 4.11Å; M435-V448 HydrophobicContact SD-CG1 4.34Å; M435-V448 HydrophobicContact SD-CG2 3.86Å; M435-P526 HydrophobicContact CE-CB 4.43Å; M435-P526 VanDerWaalsContact CE-O 3.26Å; M435-P526 WeakPolarHBondContact CE-O 3.33Å; M435-N530 HydrophobicContact CE-CB 4.03Å; M435-L533 HydrophobicContact CG-CD1 3.46Å; M435-L533 VanDerWaalsContact CG-CD1 3.46Å; M435-L571 WeakPolarHBondContact CG-O 3.41Å; M435-L571 PolarHBondContact N-O 3.39Å; M435-G574 VanDerWaalsContact O-CA 3.31Å; M435-G574 WeakPolarHBondContact O-CA 3.29Å; M435-G574 PolarHBondContact O-N 2.9Å
436	F	97.8	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.2	170.8	-68.8	-105.6	0	0	0	109.2	P398 Y409 Y410 V413 P445 L446 G447 A449	P398-F436 HydrophobicContact CB-CZ 4.25Å; P398-F436 HydrophobicContact CG-CZ 4.19Å; Y409-F436 HydrophobicContact CD1-CE1 4.18Å; Y409-F436 HydrophobicContact CD1-CZ 4.39Å; Y409-F436 HydrophobicContact CE1-CE1 4.1Å; Y409-F436 HydrophobicContact CE1-CZ 4Å; Y410-F436 AromaticContact CD2-CD1 3.34Å; Y410-F436 HydrophobicContact CD2-CD1 3.34Å; Y410-F436 AromaticContact CD2-CE1 3.54Å; Y410-F436 HydrophobicContact CD2-CE1 3.54Å; Y410-F436 HydrophobicContact CD2-CG 4.35Å; Y410-F436 HydrophobicContact CE2-CB 4.26Å; Y410-F436 AromaticContact CE2-CD1 3.48Å; Y410-F436 HydrophobicContact CE2-CD1 3.48Å; Y410-F436 VanDerWaalsContact CE2-CD1 3.48Å; Y410-F436 HydrophobicContact CE2-CE1 4.07Å; Y410-F436 HydrophobicContact CE2-CG 4.08Å; Y410-F436 HydrophobicContact CG-CD1 4.09Å; Y410-F436 HydrophobicContact CG-CE1 4.3Å; V413-F436 HydrophobicContact CB-CD1 4.12Å; V413-F436 HydrophobicContact CB-CE1 4.33Å; V413-F436 HydrophobicContact CG1-CB 4.43Å; V413-F436 HydrophobicContact CG1-CD1 3.81Å; V413-F436 HydrophobicContact CG1-CE1 4.34Å; V413-F436 HydrophobicContact CG1-CG 4.15Å; V413-F436 HydrophobicContact CG2-CD1 4.45Å; V413-F436 HydrophobicContact CG2-CE1 4.19Å; F436-P445 CarbonylContact O-C 3.59Å; F436-P445 WeakPolarHBondContact O-CA 3.46Å; F436-L446 HydrophobicContact CB-CD1 3.71Å; F436-L446 HydrophobicContact CB-CG 4.33Å; F436-L446 PolarHBondContact O-N 2.81Å; F436-G447 PolarHBondContact N-O 3.1Å; F436-G447 PolarHBondContact O-N 3.17Å; F436-A449 HydrophobicContact CE2-CB 3.75Å
437	Y	96.4	Very high	96.1	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160.5	-179.6	-59.5	-90	0	0	0	111.5	Y410 N414 M435 R444 P445 L446 N530 Q572	Y410-Y437 VanDerWaalsContact CE1-O 3.28Å; Y410-Y437 WeakPolarHBondContact CE1-O 3.3Å; Y410-Y437 WeakPolarHBondContact OH-CA 3.34Å; Y410-Y437 WeakPolarHBondContact OH-CB 3.5Å; Y410-Y437 PolarHBondContact OH-N 3.38Å; Y410-Y437 PolarHBondContact OH-O 2.81Å; N414-Y437 PolarHBondContact ND2-O 2.85Å; M435-Y437 HydrophobicContact CB-CD2 4.36Å; M435-Y437 HydrophobicContact CB-CE2 3.5Å; Y437-R444 CarbonylContact C-O 3.59Å; Y437-R444 VanDerWaalsContact CA-O 3.26Å; Y437-R444 WeakPolarHBondContact CA-O 3.27Å; Y437-P445 HydrophobicContact CD1-CB 4.19Å; Y437-P445 HydrophobicContact CE1-CB 4.01Å; Y437-L446 VanDerWaalsContact C-CD2 3.49Å; Y437-N530 WeakPolarHBondContact CE1-OD1 3.46Å; Y437-N530 PolarHBondContact OH-OD1 3.34Å; Y437-Q572 HydrophobicContact CE2-CG 3.82Å
438	D	95	Very high	96.1	Very high	13 Å²	13	34 Å²	34	7%	0.07	18%	0.176	C	C	.	.			trans	-57.6	138.6	172.1	71.5	-72.4	0	0	0	111.7	E440 T441 M442 T443 R444 L446	D438-E440 VanDerWaalsContact C-N 3.29Å; D438-E440 PolarHBondContact O-N 3.18Å; D438-T441 VanDerWaalsContact CG-OG1 3.22Å; D438-T441 PolarHBondContact OD1-OG1 3.09Å; D438-T441 VanDerWaalsContact OD1-OG1 3.06Å; D438-T441 WeakPolarHBondContact OD2-CA 3.37Å; D438-T441 WeakPolarHBondContact OD2-CB 3.43Å; D438-T441 PolarHBondContact OD2-N 3.27Å; D438-T441 PolarHBondContact OD2-OG1 3.12Å; D438-M442 WeakPolarHBondContact O-CA 3.18Å; D438-M442 PolarHBondContact O-N 3.26Å; D438-T443 PolarHBondContact OD1-N 3.31Å; D438-R444 HydrophobicContact CB-CB 4.34Å; D438-R444 PolarHBondContact N-O 2.95Å; D438-R444 WeakPolarHBondContact OD1-CA 3.36Å; D438-R444 WeakPolarHBondContact OD1-CB 3.48Å; D438-R444 PolarHBondContact OD1-N 2.71Å; D438-L446 HydrophobicContact CB-CD2 4.43Å
439	E	93.4	Very high	96.1	Very high	51 Å²	51	32.7 Å²	32.7	24%	0.238	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.1	-177.1	-89.6	173.8	-96.6	0	0	114.3	Y410 H411 N414	Y410-E439 HydrophobicContact CD1-CG 4.02Å; Y410-E439 HydrophobicContact CE1-CG 4.06Å; H411-E439 VanDerWaalsContact CA-OE1 3.23Å; H411-E439 WeakPolarHBondContact CA-OE1 3.3Å; H411-E439 IonicContact CE1-OE1 3.31Å; H411-E439 IonicContact CE1-OE2 3.95Å; H411-E439 IonicContact CG-OE1 2.68Å; H411-E439 IonicContact CG-OE2 3.39Å; H411-E439 VanDerWaalsContact ND1-CD 3.26Å; H411-E439 IonicContact ND1-OE1 3.13Å; H411-E439 PolarHBondContact ND1-OE1 3.45Å; H411-E439 IonicContact ND1-OE2 3.05Å; H411-E439 PolarHBondContact ND1-OE2 3.33Å; N414-E439 HydrophobicContact CB-CG 4.38Å; N414-E439 WeakPolarHBondContact CB-OE1 3.24Å; N414-E439 PolarHBondContact ND2-N 3.06Å; N414-E439 VanDerWaalsContact ND2-N 3.15Å
440	E	91.5	Very high	96.1	Very high	185 Å²	185	32.2 Å²	32.2	86%	0.864	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-44.7	-174.3	-174.9	174.9	-174.3	0	0	111.5	D438	D438-E440 VanDerWaalsContact C-N 3.29Å; D438-E440 PolarHBondContact O-N 3.18Å
441	T	91.9	Very high	96.1	Very high	75 Å²	75	30.9 Å²	30.9	46%	0.46	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-18.7	-175.1	71.4	0	0	0	0	113.7	D438 T443	D438-T441 VanDerWaalsContact CG-OG1 3.22Å; D438-T441 PolarHBondContact OD1-OG1 3.09Å; D438-T441 VanDerWaalsContact OD1-OG1 3.06Å; D438-T441 WeakPolarHBondContact OD2-CA 3.37Å; D438-T441 WeakPolarHBondContact OD2-CB 3.43Å; D438-T441 PolarHBondContact OD2-N 3.27Å; D438-T441 PolarHBondContact OD2-OG1 3.12Å; T441-T443 WeakPolarHBondContact O-CG2 3.49Å; T441-T443 PolarHBondContact O-N 3.02Å; T441-T443 PolarHBondContact OG1-N 3.49Å; T441-T443 PolarHBondContact OG1-OG1 3Å
442	M	91.2	Very high	96.1	Very high	53 Å²	53	30.6 Å²	30.6	26%	0.261	16%	0.158	S	C	.	.	S	Bend	trans	56.6	36.9	-173.3	-54	-65.9	-62.7	0	0	112.5	Y410 D438 E578	Y410-M442 HydrophobicContact CE1-CE 4.25Å; Y410-M442 HydrophobicContact CE1-SD 4.36Å; Y410-M442 VanDerWaalsContact OH-CE 3.27Å; Y410-M442 WeakPolarHBondContact OH-CE 3.35Å; D438-M442 WeakPolarHBondContact O-CA 3.18Å; D438-M442 PolarHBondContact O-N 3.26Å; M442-E578 HydrophobicContact CE-CG 4.46Å; M442-E578 WeakPolarHBondContact CE-OE1 3.21Å
443	T	91.2	Very high	96.2	Very high	93 Å²	93	30.4 Å²	30.4	57%	0.571	16%	0.157	S	C	*	.			trans	-124.4	-30.1	-176.2	64.1	0	0	0	0	114.6	D438 T441 P445	D438-T443 PolarHBondContact OD1-N 3.31Å; T441-T443 WeakPolarHBondContact O-CG2 3.49Å; T441-T443 PolarHBondContact O-N 3.02Å; T441-T443 PolarHBondContact OG1-N 3.49Å; T441-T443 PolarHBondContact OG1-OG1 3Å; T443-P445 WeakPolarHBondContact O-CD 3.42Å
444	R	95.2	Very high	96.2	Very high	80 Å²	80	30 Å²	30	30%	0.302	16%	0.155	S	C	.	.	S	Bend	trans	-92.3	111.8	-178.4	-178	-177.2	62.3	82.4	-5.2	109.4	E417 Y437 D438 L446	E417-R444 IonicContact OE1-CZ 2.63Å; E417-R444 IonicContact OE1-NH1 3.43Å; E417-R444 IonicContact OE1-NH2 3.39Å; E417-R444 PolarHBondContact OE1-NH2 2.88Å; E417-R444 IonicContact OE2-CZ 3.74Å; E417-R444 IonicContact OE2-NH1 3.18Å; E417-R444 PolarHBondContact OE2-NH1 3.01Å; E417-R444 IonicContact OE2-NH2 2.79Å; E417-R444 PolarHBondContact OE2-NH2 3.49Å; Y437-R444 CarbonylContact C-O 3.59Å; Y437-R444 VanDerWaalsContact CA-O 3.26Å; Y437-R444 WeakPolarHBondContact CA-O 3.27Å; D438-R444 HydrophobicContact CB-CB 4.34Å; D438-R444 PolarHBondContact N-O 2.95Å; D438-R444 WeakPolarHBondContact OD1-CA 3.36Å; D438-R444 WeakPolarHBondContact OD1-CB 3.48Å; D438-R444 PolarHBondContact OD1-N 2.71Å; R444-L446 PolarHBondContact O-N 2.89Å
445	P	96.1	Very high	96.2	Very high	26 Å²	26	30.2 Å²	30.2	17%	0.169	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.1	175.8	30.7	-35.9	0	0	0	109.6	M435 F436 Y437 T443 P526 N530	M435-P445 HydrophobicContact CE-CB 3.85Å; F436-P445 CarbonylContact O-C 3.59Å; F436-P445 WeakPolarHBondContact O-CA 3.46Å; Y437-P445 HydrophobicContact CD1-CB 4.19Å; Y437-P445 HydrophobicContact CE1-CB 4.01Å; T443-P445 WeakPolarHBondContact O-CD 3.42Å; P445-P526 HydrophobicContact CB-CB 3.86Å; P445-P526 WeakPolarHBondContact CB-O 3.37Å; P445-P526 HydrophobicContact CG-CB 4.49Å; P445-N530 HydrophobicContact CB-CB 3.94Å; P445-N530 HydrophobicContact CG-CB 3.77Å
446	L	96.3	Very high	96.3	Very high	18 Å²	18	30.2 Å²	30.2	9%	0.094	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-14.1	-177.9	63	78.3	0	0	0	113.8	V413 N414 E417 F436 Y437 D438 R444	V413-L446 HydrophobicContact CG1-CD1 3.86Å; N414-L446 WeakPolarHBondContact ND2-CD2 3.37Å; E417-L446 HydrophobicContact CB-CB 4.28Å; E417-L446 HydrophobicContact CB-CD1 4.2Å; E417-L446 WeakPolarHBondContact OE2-CB 3.48Å; F436-L446 HydrophobicContact CB-CD1 3.71Å; F436-L446 HydrophobicContact CB-CG 4.33Å; F436-L446 PolarHBondContact O-N 2.81Å; Y437-L446 VanDerWaalsContact C-CD2 3.49Å; D438-L446 HydrophobicContact CB-CD2 4.43Å; R444-L446 PolarHBondContact O-N 2.89Å
447	G	96.6	Very high	96.3	Very high	9 Å²	9	30.2 Å²	30.2	9%	0.093	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	156	-178.7	0	0	0	0	0	112.6	F436	F436-G447 PolarHBondContact N-O 3.1Å; F436-G447 PolarHBondContact O-N 3.17Å
448	V	98.2	Very high	96.4	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.067	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.2	171.2	-172	0	0	0	0	107	F433 Q434 M435 F450 P526 Y529	F433-V448 HydrophobicContact CB-CG1 3.97Å; F433-V448 HydrophobicContact CD2-CG1 4.35Å; F433-V448 HydrophobicContact CG-CG1 4.47Å; Q434-V448 WeakPolarHBondContact O-CA 3.4Å; M435-V448 HydrophobicContact CE-CG2 4.11Å; M435-V448 HydrophobicContact SD-CG1 4.34Å; M435-V448 HydrophobicContact SD-CG2 3.86Å; V448-F450 HydrophobicContact CB-CE2 4.35Å; V448-F450 HydrophobicContact CB-CZ 4.18Å; V448-F450 HydrophobicContact CG1-CD1 4.16Å; V448-F450 HydrophobicContact CG1-CE1 3.9Å; V448-F450 HydrophobicContact CG1-CE2 4.39Å; V448-F450 HydrophobicContact CG1-CZ 4.02Å; V448-P526 HydrophobicContact CG2-CB 4.21Å; V448-P526 HydrophobicContact CG2-CG 4.21Å; V448-Y529 HydrophobicContact CG1-CD1 4.36Å; V448-Y529 HydrophobicContact CG1-CG 4.39Å; V448-Y529 HydrophobicContact CG2-CD2 4.4Å; V448-Y529 HydrophobicContact CG2-CG 4.24Å
449	A	98.8	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.3	164.4	0	0	0	0	0	108.4	Q423 F425 F433 Q434 F436	Q423-A449 HydrophobicContact CB-CB 3.92Å; F425-A449 HydrophobicContact CD2-CB 3.87Å; F425-A449 HydrophobicContact CE2-CB 3.86Å; F433-A449 CarbonylContact C-O 3.59Å; F433-A449 WeakPolarHBondContact CA-O 3.43Å; F433-A449 WeakPolarHBondContact CB-O 3.36Å; Q434-A449 HydrophobicContact CB-CB 4.29Å; Q434-A449 PolarHBondContact N-O 2.91Å; Q434-A449 PolarHBondContact O-N 3.14Å; F436-A449 HydrophobicContact CE2-CB 3.75Å
450	F	98.9	Very high	96.6	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.2	177.8	-59.8	-80.5	0	0	0	109.5	Q423 F424 F425 V448 Y468 V481 L524 Y529	Q423-F450 PolarHBondContact O-N 3.09Å; F424-F450 WeakPolarHBondContact CA-O 3.4Å; F424-F450 HydrophobicContact CD1-CD2 4.39Å; F424-F450 HydrophobicContact CE1-CD2 4.26Å; F425-F450 PolarHBondContact N-O 2.94Å; V448-F450 HydrophobicContact CB-CE2 4.35Å; V448-F450 HydrophobicContact CB-CZ 4.18Å; V448-F450 HydrophobicContact CG1-CD1 4.16Å; V448-F450 HydrophobicContact CG1-CE1 3.9Å; V448-F450 HydrophobicContact CG1-CE2 4.39Å; V448-F450 HydrophobicContact CG1-CZ 4.02Å; F450-Y468 HydrophobicContact CB-CE1 3.92Å; F450-Y468 VanDerWaalsContact CB-OH 3.24Å; F450-Y468 WeakPolarHBondContact CB-OH 3.38Å; F450-Y468 HydrophobicContact CD1-CE1 4.33Å; F450-Y468 HydrophobicContact CD2-CE1 4.27Å; F450-Y468 AromaticContact CG-CE1 3.92Å; F450-Y468 HydrophobicContact CG-CE1 3.92Å; F450-V481 HydrophobicContact CD2-CG2 4.15Å; F450-V481 HydrophobicContact CE2-CB 3.79Å; F450-V481 HydrophobicContact CE2-CG1 4.11Å; F450-V481 HydrophobicContact CE2-CG2 3.62Å; F450-V481 HydrophobicContact CZ-CB 4.05Å; F450-V481 HydrophobicContact CZ-CG1 4.09Å; F450-V481 HydrophobicContact CZ-CG2 4.38Å; F450-L524 HydrophobicContact CE1-CD1 4.43Å; F450-L524 HydrophobicContact CZ-CB 4.4Å; F450-Y529 HydrophobicContact CE1-CE1 4.47Å; F450-Y529 AromaticContact CE1-CE2 3.8Å; F450-Y529 HydrophobicContact CE1-CE2 3.8Å; F450-Y529 AromaticContact CE1-CZ 3.71Å; F450-Y529 HydrophobicContact CZ-CE2 4.36Å
451	I	98.9	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	104.9	178.3	-56.6	168.2	0	0	0	106.3	P397 F425 G426 T428 E432 Q434 F570	P397-I451 HydrophobicContact CB-CD1 3.64Å; P397-I451 HydrophobicContact CB-CG1 4.01Å; P397-I451 HydrophobicContact CG-CD1 3.93Å; F425-I451 HydrophobicContact CB-CG1 4.32Å; F425-I451 WeakPolarHBondContact O-CA 3.41Å; G426-I451 WeakPolarHBondContact O-CG2 3.33Å; T428-I451 HydrophobicContact CG2-CG2 3.97Å; T428-I451 VanDerWaalsContact OG1-CG2 3.32Å; T428-I451 WeakPolarHBondContact OG1-CG2 3.18Å; E432-I451 HydrophobicContact CB-CB 4.11Å; E432-I451 HydrophobicContact CB-CD1 4.34Å; E432-I451 PolarHBondContact N-O 3.24Å; E432-I451 PolarHBondContact O-N 3.41Å; Q434-I451 HydrophobicContact CG-CD1 3.95Å; I451-F570 HydrophobicContact CD1-CE1 3.77Å; I451-F570 HydrophobicContact CD1-CZ 3.76Å
452	A	98.9	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-78.1	146.7	-177.3	0	0	0	0	0	110.4	F172 T174 F425 R466	F172-A452 HydrophobicContact CD1-CB 3.3Å; F172-A452 HydrophobicContact CE1-CB 3.39Å; F172-A452 HydrophobicContact CG-CB 4.28Å; F172-A452 HydrophobicContact CZ-CB 4.43Å; T174-A452 HydrophobicContact CG2-CB 4.19Å; F425-A452 PolarHBondContact O-N 2.86Å; A452-R466 HydrophobicContact CB-CB 4.07Å; A452-R466 HydrophobicContact CB-CG 4.3Å
453	P	98.9	Very high	97.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.013	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-72.4	157.9	176.2	33	-37.3	0	0	0	111.2	T174 H429 D431 T486 K552	T174-P453 WeakPolarHBondContact CG2-O 3.42Å; H429-P453 WeakPolarHBondContact O-CA 3.41Å; D431-P453 HydrophobicContact CB-CB 3.96Å; D431-P453 HydrophobicContact CB-CG 3.89Å; P453-T486 HydrophobicContact CG-CG2 3.9Å; P453-K552 HydrophobicContact CB-CD 3.67Å; P453-K552 HydrophobicContact CB-CG 3.72Å; P453-K552 HydrophobicContact CG-CD 4.16Å; P453-K552 HydrophobicContact CG-CG 4.08Å
454	S	98.9	Very high	98	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-69.8	156.2	-174.7	57	0	0	0	0	114	H429 T456 G464 K552	H429-S454 VanDerWaalsContact CB-OG 3.31Å; H429-S454 WeakPolarHBondContact CB-OG 3.47Å; H429-S454 PolarHBondContact O-N 2.88Å; H429-S454 PolarHBondContact O-OG 3.5Å; S454-T456 PolarHBondContact OG-O 3.06Å; S454-G464 CarbonylContact C-O 3.36Å; S454-G464 PolarHBondContact O-N 3.24Å; S454-K552 PolarHBondContact O-NZ 3.41Å; S454-K552 PolarHBondContact OG-NZ 2.88Å
455	A	98.9	Very high	98.2	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.033	6%	0.061	C	C	.	.	S	Bend	trans	-69.3	-38.2	158.6	0	0	0	0	0	111.4	T174 D175 I176 L221 L229 P463 G464	T174-A455 PolarHBondContact O-N 3Å; D175-A455 PolarHBondContact O-N 3.04Å; I176-A455 HydrophobicContact CG1-CB 4.4Å; L221-A455 WeakPolarHBondContact CD1-O 3.49Å; L229-A455 HydrophobicContact CD1-CB 3.67Å; A455-P463 WeakPolarHBondContact O-CA 3.18Å; A455-P463 VanDerWaalsContact O-CB 3.22Å; A455-P463 WeakPolarHBondContact O-CB 3.36Å; A455-G464 WeakPolarHBondContact CA-O 3.45Å; A455-G464 PolarHBondContact N-O 3.22Å
456	T	98.9	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-65.1	159.7	-179.3	-168.2	0	0	0	0	114.8	D175 H177 D220 S454 Y458 K552	D175-T456 PolarHBondContact O-N 2.89Å; H177-T456 HydrophobicContact CB-CG2 4.23Å; H177-T456 VanDerWaalsContact CD2-CG2 3.47Å; H177-T456 WeakPolarHBondContact CD2-CG2 3.35Å; D220-T456 PolarHBondContact OD1-OG1 3.44Å; S454-T456 PolarHBondContact OG-O 3.06Å; T456-Y458 VanDerWaalsContact C-N 3.31Å; T456-Y458 PolarHBondContact OG1-N 3.23Å; T456-K552 PolarHBondContact O-NZ 3.1Å
457	T	98.8	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.049	C	C	.	.			trans	-78.9	-16.6	168.5	45.8	0	0	0	0	113	T215 C219 L221 V459 N460 L461 P463 L491	T215-T457 WeakPolarHBondContact O-CB 3.05Å; C219-T457 PolarHBondContact O-OG1 2.95Å; L221-T457 HydrophobicContact CD2-CG2 3.89Å; T457-V459 CarbonylContact O-C 3.58Å; T457-V459 VanDerWaalsContact O-CA 3.24Å; T457-V459 WeakPolarHBondContact O-CA 3.41Å; T457-V459 PolarHBondContact O-N 3.37Å; T457-N460 PolarHBondContact O-N 3.22Å; T457-L461 WeakPolarHBondContact CG2-O 3.18Å; T457-L461 PolarHBondContact O-N 3.04Å; T457-P463 HydrophobicContact CG2-CG 3.86Å; T457-L491 HydrophobicContact CG2-CD1 3.47Å; T457-L491 VanDerWaalsContact CG2-CD1 3.47Å
458	Y	98.3	Very high	98.5	Very high	16 Å²	16	8.1 Å²	8.1	6%	0.063	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	117.2	-175.1	-162.3	-92.5	0	0	0	110.6	P193 L194 K218 C219 D220 H251 H429 T456	P193-Y458 PolarHBondContact O-OH 3.45Å; L194-Y458 HydrophobicContact CD1-CD2 4.09Å; L194-Y458 HydrophobicContact CD1-CE2 4.19Å; K218-Y458 HydrophobicContact CB-CD2 4.37Å; K218-Y458 HydrophobicContact CB-CE2 3.79Å; C219-Y458 PolarHBondContact O-N 2.7Å; D220-Y458 WeakPolarHBondContact OD1-CB 3.26Å; H251-Y458 HydrophobicContact CB-CE2 4.31Å; H251-Y458 AromaticContact CD2-CD1 3.94Å; H251-Y458 AromaticContact CD2-CE1 3.74Å; H251-Y458 AromaticContact CE1-CD1 3.54Å; H251-Y458 AromaticContact CE1-CG 3.72Å; H251-Y458 AromaticContact ND1-CD1 3.88Å; H251-Y458 AromaticContact ND1-CD2 4Å; H251-Y458 AromaticContact ND1-CG 3.73Å; H251-Y458 AromaticContact NE2-CD1 3.54Å; H251-Y458 AromaticContact NE2-CE1 3.77Å; H429-Y458 PolarHBondContact ND1-O 3.24Å; T456-Y458 VanDerWaalsContact C-N 3.31Å; T456-Y458 PolarHBondContact OG1-N 3.23Å
459	V	96.3	Very high	98.6	Very high	63 Å²	63	8.8 Å²	8.8	38%	0.382	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	cis	-109.8	132.7	-11.6	-176.4	0	0	0	0	109.8	K218 T457 L461	K218-V459 HydrophobicContact CB-CG1 4.28Å; K218-V459 HydrophobicContact CB-CG2 4.46Å; T457-V459 CarbonylContact O-C 3.58Å; T457-V459 VanDerWaalsContact O-CA 3.24Å; T457-V459 WeakPolarHBondContact O-CA 3.41Å; T457-V459 PolarHBondContact O-N 3.37Å; V459-L461 VanDerWaalsContact C-N 3.33Å; V459-L461 WeakPolarHBondContact O-CG 3.25Å; V459-L461 PolarHBondContact O-N 3.25Å
460	N	97	Very high	98.5	Very high	53 Å²	53	8.8 Å²	8.8	28%	0.283	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	36.1	171.3	-167.7	52	0	0	0	114.6	Y216 S217 T457 H554	Y216-N460 WeakPolarHBondContact CB-OD1 3.39Å; S217-N460 PolarHBondContact O-N 2.77Å; S217-N460 VanDerWaalsContact O-N 3.15Å; T457-N460 PolarHBondContact O-N 3.22Å; N460-H554 PolarHBondContact O-ND1 2.95Å; N460-H554 PolarHBondContact OD1-CE1 3.28Å
461	L	98.4	Very high	98.5	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.021	5%	0.045	C	C	.	.			trans	-116.1	158.7	-179.1	-61	172.4	0	0	0	112.2	H429 L430 T457 V459 H551	H429-L461 HydrophobicContact CB-CD1 4.1Å; H429-L461 WeakPolarHBondContact O-CD1 3.37Å; L430-L461 HydrophobicContact CD2-CD1 4.04Å; L430-L461 HydrophobicContact CD2-CD2 3.92Å; T457-L461 WeakPolarHBondContact CG2-O 3.18Å; T457-L461 PolarHBondContact O-N 3.04Å; V459-L461 VanDerWaalsContact C-N 3.33Å; V459-L461 WeakPolarHBondContact O-CG 3.25Å; V459-L461 PolarHBondContact O-N 3.25Å; L461-H551 HydrophobicContact CD2-CB 3.77Å
462	N	98.8	Very high	98.4	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.016	5%	0.045	C	C	.	.			trans	-66.9	150.1	158.7	-80.6	-52.3	0	0	0	110.2	Y216 I488 L489 N490 L491 K552	Y216-N462 WeakPolarHBondContact CE1-OD1 3.47Å; Y216-N462 PolarHBondContact OH-OD1 3.37Å; N462-I488 HydrophobicContact CB-CB 4.23Å; N462-I488 HydrophobicContact CB-CD1 4.45Å; N462-L489 WeakPolarHBondContact CB-O 3.1Å; N462-L489 PolarHBondContact OD1-O 2.95Å; N462-N490 WeakPolarHBondContact OD1-CA 3.16Å; N462-L491 PolarHBondContact OD1-N 2.04Å; N462-K552 HydrophobicContact CB-CB 4.09Å; N462-K552 PolarHBondContact ND2-O 3.29Å; N462-K552 WeakPolarHBondContact O-CD 3.27Å; N462-K552 WeakPolarHBondContact O-CE 3.34Å; N462-K552 PolarHBondContact O-NZ 2.03Å
463	P	98.8	Very high	98.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.			trans	-61.4	143.6	161.5	-24.3	35.3	0	0	0	111.6	L221 T225 A455 T457 I488 L489 L491 W509	L221-P463 HydrophobicContact CD2-CG 4.06Å; T225-P463 HydrophobicContact CG2-CG 4.38Å; A455-P463 WeakPolarHBondContact O-CA 3.18Å; A455-P463 VanDerWaalsContact O-CB 3.22Å; A455-P463 WeakPolarHBondContact O-CB 3.36Å; T457-P463 HydrophobicContact CG2-CG 3.86Å; P463-I488 CarbonylContact O-C 3.52Å; P463-I488 VanDerWaalsContact O-CA 3.23Å; P463-I488 WeakPolarHBondContact O-CA 3.2Å; P463-I488 WeakPolarHBondContact O-CB 3.24Å; P463-L489 HydrophobicContact CB-CB 4.12Å; P463-L489 WeakPolarHBondContact CD-O 3Å; P463-L489 HydrophobicContact CG-CB 4.29Å; P463-L489 HydrophobicContact CG-CD2 4.43Å; P463-L489 PolarHBondContact O-N 3.43Å; P463-L491 HydrophobicContact CG-CD1 4.45Å; P463-L491 HydrophobicContact CG-CD2 4.04Å; P463-L491 HydrophobicContact CG-CG 4.3Å; P463-W509 HydrophobicContact CB-CH2 3.65Å; P463-W509 HydrophobicContact CB-CZ3 4.18Å
464	G	98.7	Very high	98.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.7	-179.1	0	0	0	0	0	115.4	S454 A455 Y487	S454-G464 CarbonylContact C-O 3.36Å; S454-G464 PolarHBondContact O-N 3.24Å; A455-G464 WeakPolarHBondContact CA-O 3.45Å; A455-G464 PolarHBondContact N-O 3.22Å; G464-Y487 CarbonylContact C-O 3.58Å; G464-Y487 WeakPolarHBondContact CA-O 3.35Å
465	Y	98.8	Very high	97.8	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	166.1	167.9	68	-94.4	0	0	0	110.5	L171 L229 N232 I467 Y487 W509	L171-Y465 HydrophobicContact CD1-CD2 3.7Å; L171-Y465 HydrophobicContact CD1-CE2 4.15Å; L229-Y465 HydrophobicContact CD1-CD1 4.48Å; L229-Y465 HydrophobicContact CD2-CD1 4.18Å; L229-Y465 HydrophobicContact CG-CD1 3.98Å; N232-Y465 PolarHBondContact OD1-OH 2.98Å; Y465-I467 HydrophobicContact CE2-CD1 4.39Å; Y465-I467 HydrophobicContact CE2-CG1 4.27Å; Y465-Y487 HydrophobicContact CE1-CG 4.37Å; Y465-Y487 HydrophobicContact CE2-CD2 4.01Å; Y465-Y487 AromaticContact CE2-CG 3.95Å; Y465-Y487 HydrophobicContact CE2-CG 3.95Å; Y465-Y487 AromaticContact CZ-CG 3.76Å; Y465-Y487 PolarHBondContact N-O 3.38Å; Y465-Y487 PolarHBondContact O-N 2.93Å; Y465-W509 AromaticContact CD1-CE3 3.74Å; Y465-W509 HydrophobicContact CD1-CE3 3.74Å; Y465-W509 AromaticContact CD1-CZ3 3.85Å; Y465-W509 HydrophobicContact CD1-CZ3 3.85Å; Y465-W509 HydrophobicContact CE1-CD2 4.08Å; Y465-W509 AromaticContact CE1-CE3 3.63Å; Y465-W509 HydrophobicContact CE1-CE3 3.63Å; Y465-W509 HydrophobicContact CE1-CG 4.49Å; Y465-W509 HydrophobicContact CE1-CZ3 4.21Å
466	R	98.9	Very high	97.5	Very high	2 Å²	2	30 Å²	30	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.7	-170.9	169.9	70.8	57.3	75.9	2.2	111.8	F172 D431 A452 Y468 H484 E485 T486	F172-R466 HydrophobicContact CB-CB 4.08Å; F172-R466 HydrophobicContact CB-CG 4.18Å; F172-R466 PolarHBondContact N-O 3.48Å; F172-R466 PolarHBondContact O-N 3.38Å; D431-R466 IonicContact OD1-CZ 3.22Å; D431-R466 IonicContact OD1-NH2 2.75Å; D431-R466 PolarHBondContact OD1-NH2 3.4Å; D431-R466 IonicContact OD2-CZ 3.93Å; D431-R466 IonicContact OD2-NH2 2.98Å; D431-R466 PolarHBondContact OD2-NH2 3.11Å; A452-R466 HydrophobicContact CB-CB 4.07Å; A452-R466 HydrophobicContact CB-CG 4.3Å; R466-Y468 HydrophobicContact CG-CD2 3.98Å; R466-Y468 HydrophobicContact CG-CE1 4.21Å; R466-Y468 HydrophobicContact CG-CE2 3.48Å; R466-Y468 VanDerWaalsContact CG-CE2 3.48Å; R466-Y468 PolarHBondContact NH1-OH 3.45Å; R466-H484 PolarHBondContact NE-ND1 3.38Å; R466-E485 CarbonylContact C-O 3.58Å; R466-E485 WeakPolarHBondContact CA-O 3.3Å; R466-E485 VanDerWaalsContact CD-O 3.32Å; R466-E485 WeakPolarHBondContact CD-O 3.3Å; R466-T486 PolarHBondContact NE-OG1 3.35Å; R466-T486 PolarHBondContact NH2-OG1 2.91Å; R466-T486 VanDerWaalsContact NH2-OG1 3.11Å
467	I	98.8	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.5	169.3	-54.9	169.8	0	0	0	108.5	V170 W239 Y465 Y469 H484 E485 Y487	V170-I467 CarbonylContact O-C 3.59Å; V170-I467 WeakPolarHBondContact O-CA 3.12Å; W239-I467 HydrophobicContact CH2-CD1 3.49Å; W239-I467 VanDerWaalsContact CH2-CD1 3.49Å; W239-I467 HydrophobicContact CH2-CG1 3.81Å; W239-I467 HydrophobicContact CZ3-CD1 3.91Å; W239-I467 HydrophobicContact CZ3-CG1 4.03Å; W239-I467 HydrophobicContact CZ3-CG2 3.88Å; Y465-I467 HydrophobicContact CE2-CD1 4.39Å; Y465-I467 HydrophobicContact CE2-CG1 4.27Å; I467-Y469 HydrophobicContact CG2-CE2 4.26Å; I467-H484 CarbonylContact O-C 3.54Å; I467-H484 WeakPolarHBondContact O-CA 3.03Å; I467-H484 VanDerWaalsContact O-CB 3.29Å; I467-H484 WeakPolarHBondContact O-CB 2.93Å; I467-E485 HydrophobicContact CB-CB 4.44Å; I467-E485 PolarHBondContact N-O 3.16Å; I467-E485 PolarHBondContact O-N 3.36Å; I467-Y487 HydrophobicContact CD1-CD2 3.99Å; I467-Y487 HydrophobicContact CD1-CE2 3.51Å; I467-Y487 HydrophobicContact CG1-CD2 4.49Å; I467-Y487 HydrophobicContact CG1-CE2 4.4Å
468	Y	98.9	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.7	170.3	-65.9	-80	0	0	0	111	V170 F172 F424 F450 R466 V481 H484	V170-Y468 PolarHBondContact N-O 2.93Å; V170-Y468 PolarHBondContact O-N 3.46Å; F172-Y468 HydrophobicContact CB-CD2 3.88Å; F172-Y468 HydrophobicContact CB-CE2 3.61Å; F172-Y468 HydrophobicContact CD2-CD2 4.3Å; F172-Y468 AromaticContact CD2-CE2 3.72Å; F172-Y468 HydrophobicContact CD2-CE2 3.72Å; F172-Y468 HydrophobicContact CG-CD2 4.36Å; F172-Y468 AromaticContact CG-CE2 3.7Å; F172-Y468 HydrophobicContact CG-CE2 3.7Å; F424-Y468 HydrophobicContact CD1-CD1 4.44Å; F424-Y468 HydrophobicContact CD1-CD2 4Å; F424-Y468 HydrophobicContact CD1-CE1 4.15Å; F424-Y468 AromaticContact CD1-CE2 3.66Å; F424-Y468 HydrophobicContact CD1-CE2 3.66Å; F424-Y468 HydrophobicContact CD1-CG 4.38Å; F424-Y468 AromaticContact CD1-CZ 3.75Å; F424-Y468 AromaticContact CE1-CD1 3.99Å; F424-Y468 HydrophobicContact CE1-CD1 3.99Å; F424-Y468 AromaticContact CE1-CD2 3.97Å; F424-Y468 HydrophobicContact CE1-CD2 3.97Å; F424-Y468 HydrophobicContact CE1-CE1 4.1Å; F424-Y468 HydrophobicContact CE1-CE2 4.06Å; F424-Y468 AromaticContact CE1-CG 3.93Å; F424-Y468 HydrophobicContact CE1-CG 3.93Å; F450-Y468 HydrophobicContact CB-CE1 3.92Å; F450-Y468 VanDerWaalsContact CB-OH 3.24Å; F450-Y468 WeakPolarHBondContact CB-OH 3.38Å; F450-Y468 HydrophobicContact CD1-CE1 4.33Å; F450-Y468 HydrophobicContact CD2-CE1 4.27Å; F450-Y468 AromaticContact CG-CE1 3.92Å; F450-Y468 HydrophobicContact CG-CE1 3.92Å; R466-Y468 HydrophobicContact CG-CD2 3.98Å; R466-Y468 HydrophobicContact CG-CE1 4.21Å; R466-Y468 HydrophobicContact CG-CE2 3.48Å; R466-Y468 VanDerWaalsContact CG-CE2 3.48Å; R466-Y468 PolarHBondContact NH1-OH 3.45Å; Y468-V481 HydrophobicContact CD1-CG1 3.81Å; Y468-V481 HydrophobicContact CD1-CG2 4.43Å; Y468-H484 HydrophobicContact CD1-CB 3.56Å; Y468-H484 HydrophobicContact CE1-CB 3.86Å; Y468-H484 HydrophobicContact CG-CB 4.37Å
469	Y	98.4	Very high	97.2	Very high	26 Å²	26	31.3 Å²	31.3	10%	0.102	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.1	167.4	-65.3	-93.4	0	0	0	107.8	R169 I467 L482 D483 E485	R169-Y469 HydrophobicContact CG-CD1 4.05Å; R169-Y469 HydrophobicContact CG-CE1 3.87Å; I467-Y469 HydrophobicContact CG2-CE2 4.26Å; Y469-L482 PolarHBondContact O-N 3.05Å; Y469-D483 HydrophobicContact CD2-CB 4.19Å; Y469-D483 PolarHBondContact N-O 2.99Å; Y469-D483 PolarHBondContact O-N 2.88Å; Y469-E485 HydrophobicContact CE2-CG 3.9Å; Y469-E485 PolarHBondContact OH-OE2 3.04Å; Y469-E485 VanDerWaalsContact OH-OE2 3.11Å
470	V	98.3	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.3	-175.6	178.1	0	0	0	0	109.2	Q167 S168 V170 G472 L480 V481	Q167-V470 CarbonylContact C-O 3.56Å; Q167-V470 WeakPolarHBondContact CA-O 3.18Å; S168-V470 PolarHBondContact N-O 2.97Å; S168-V470 PolarHBondContact O-N 2.99Å; V170-V470 HydrophobicContact CG2-CG2 3.96Å; V470-G472 PolarHBondContact O-N 2.94Å; V470-L480 WeakPolarHBondContact CA-O 3.4Å; V470-V481 HydrophobicContact CG2-CG2 4.48Å
471	D	98.1	Very high	97.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	122.5	171.6	-164.6	17.4	0	0	0	110.9	P161 Y474 S477 S478 L480 L482	P161-D471 WeakPolarHBondContact CB-OD1 3.42Å; D471-Y474 WeakPolarHBondContact OD1-CE1 3.24Å; D471-Y474 VanDerWaalsContact OD1-CZ 3.26Å; D471-Y474 PolarHBondContact OD1-OH 3.05Å; D471-Y474 PolarHBondContact OD2-OH 3.39Å; D471-S477 PolarHBondContact O-OG 2.68Å; D471-S477 PolarHBondContact OD2-OG 3.4Å; D471-S478 WeakPolarHBondContact CB-OG 3.46Å; D471-S478 WeakPolarHBondContact OD2-CB 3.35Å; D471-S478 PolarHBondContact OD2-N 3.28Å; D471-S478 PolarHBondContact OD2-OG 2.94Å; D471-L480 PolarHBondContact N-O 2.85Å; D471-L482 HydrophobicContact CB-CD1 4.18Å; D471-L482 HydrophobicContact CB-CD2 4.14Å; D471-L482 HydrophobicContact CB-CG 4.24Å
472	G	97.1	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.			trans	-79.4	-162.3	-159.3	0	0	0	0	0	114.9	P166 V470 Y474 S477 R479	P166-G472 WeakPolarHBondContact O-CA 3.38Å; P166-G472 PolarHBondContact O-N 2.7Å; V470-G472 PolarHBondContact O-N 2.94Å; G472-Y474 WeakPolarHBondContact O-CD1 3.31Å; G472-Y474 PolarHBondContact O-N 3.03Å; G472-S477 WeakPolarHBondContact O-CB 3.31Å; G472-S477 PolarHBondContact O-OG 2.82Å; G472-R479 PolarHBondContact O-NH1 3.35Å
473	N	96.4	Very high	97.2	Very high	75 Å²	75	28.9 Å²	28.9	40%	0.401	15%	0.145	S	C	.	.	S	Bend	trans	-87.3	97.9	-174.8	-166.5	5	0	0	0	113.5	Q342 R479	Q342-N473 PolarHBondContact OE1-ND2 3.02Å; N473-R479 VanDerWaalsContact CA-NH1 3.28Å; N473-R479 PolarHBondContact OD1-NH2 3.28Å
474	Y	95.7	Very high	97.2	Very high	53 Å²	53	29 Å²	29	21%	0.208	15%	0.146	C	C	.	.	S	Bend	trans	-158.5	163.9	171.4	60.6	-82.6	0	0	0	111.3	P161 P166 D471 G472 T476 S477	P161-Y474 WeakPolarHBondContact CB-OH 3.19Å; P166-Y474 HydrophobicContact CG-CD1 4.25Å; D471-Y474 WeakPolarHBondContact OD1-CE1 3.24Å; D471-Y474 VanDerWaalsContact OD1-CZ 3.26Å; D471-Y474 PolarHBondContact OD1-OH 3.05Å; D471-Y474 PolarHBondContact OD2-OH 3.39Å; G472-Y474 WeakPolarHBondContact O-CD1 3.31Å; G472-Y474 PolarHBondContact O-N 3.03Å; Y474-T476 VanDerWaalsContact C-N 3.29Å; Y474-T476 PolarHBondContact O-N 3.31Å; Y474-T476 VanDerWaalsContact O-N 3.13Å; Y474-S477 VanDerWaalsContact CE2-CA 3.5Å; Y474-S477 VanDerWaalsContact CZ-CA 3.48Å; Y474-S477 WeakPolarHBondContact O-CB 3.21Å; Y474-S477 PolarHBondContact O-N 3.48Å
475	K	91.4	Very high	97.2	Very high	213 Å²	213	29.2 Å²	29.2	93%	0.926	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.5	-167.1	-173.4	177.1	-178.9	-179.7	0	115.4
476	T	92.3	Very high	97.2	Very high	116 Å²	116	29 Å²	29	71%	0.712	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.9	23.2	-178.3	61.4	0	0	0	0	112	Y474	Y474-T476 VanDerWaalsContact C-N 3.29Å; Y474-T476 PolarHBondContact O-N 3.31Å; Y474-T476 VanDerWaalsContact O-N 3.13Å
477	S	96.1	Very high	97.2	Very high	13 Å²	13	31 Å²	31	9%	0.091	15%	0.153	C	C	.	.			trans	-64.9	136.5	179.8	-179	0	0	0	0	110.9	D471 G472 Y474 R479	D471-S477 PolarHBondContact O-OG 2.68Å; D471-S477 PolarHBondContact OD2-OG 3.4Å; G472-S477 WeakPolarHBondContact O-CB 3.31Å; G472-S477 PolarHBondContact O-OG 2.82Å; Y474-S477 VanDerWaalsContact CE2-CA 3.5Å; Y474-S477 VanDerWaalsContact CZ-CA 3.48Å; Y474-S477 WeakPolarHBondContact O-CB 3.21Å; Y474-S477 PolarHBondContact O-N 3.48Å; S477-R479 VanDerWaalsContact C-N 3.27Å; S477-R479 WeakPolarHBondContact OG-CD 3.07Å; S477-R479 PolarHBondContact OG-N 3.23Å; S477-R479 VanDerWaalsContact OG-N 3.15Å
478	S	95.8	Very high	97.2	Very high	23 Å²	23	31.4 Å²	31.4	16%	0.161	16%	0.156	C	C	.	.			trans	-73.4	-23.8	171.8	67.8	0	0	0	0	112.1	T421 D471 L480	T421-S478 VanDerWaalsContact CG2-O 3.22Å; T421-S478 WeakPolarHBondContact CG2-O 3.31Å; D471-S478 WeakPolarHBondContact CB-OG 3.46Å; D471-S478 WeakPolarHBondContact OD2-CB 3.35Å; D471-S478 PolarHBondContact OD2-N 3.28Å; D471-S478 PolarHBondContact OD2-OG 2.94Å; S478-L480 PolarHBondContact O-N 3.46Å; S478-L480 VanDerWaalsContact O-N 3.15Å; S478-L480 PolarHBondContact OG-N 3.08Å
479	R	97.4	Very high	97.2	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.026	16%	0.156	C	C	.	.			trans	52.4	24.4	-169.5	-53	-64.9	-169.6	163	6	113.4	P343 L345 K389 H391 T421 G472 N473 S477	P343-R479 PolarHBondContact O-NH2 2.88Å; L345-R479 HydrophobicContact CB-CG 4.46Å; L345-R479 HydrophobicContact CD1-CB 4.12Å; L345-R479 HydrophobicContact CD1-CG 4.27Å; K389-R479 HydrophobicContact CB-CB 3.81Å; K389-R479 HydrophobicContact CB-CG 3.83Å; K389-R479 HydrophobicContact CG-CB 4.01Å; K389-R479 HydrophobicContact CG-CG 3.83Å; H391-R479 PolarHBondContact NE2-O 2.81Å; T421-R479 WeakPolarHBondContact CB-O 3.41Å; T421-R479 PolarHBondContact OG1-O 3.32Å; G472-R479 PolarHBondContact O-NH1 3.35Å; N473-R479 VanDerWaalsContact CA-NH1 3.28Å; N473-R479 PolarHBondContact OD1-NH2 3.28Å; S477-R479 VanDerWaalsContact C-N 3.27Å; S477-R479 WeakPolarHBondContact OG-CD 3.07Å; S477-R479 PolarHBondContact OG-N 3.23Å; S477-R479 VanDerWaalsContact OG-N 3.15Å
480	L	97.6	Very high	97.2	Very high	29 Å²	29	32.1 Å²	32.1	15%	0.152	16%	0.161	C	C	.	.			trans	-82.8	158.3	176.5	-70.1	161.7	0	0	0	111	P158 T421 V470 D471 S478 L482 F525	P158-L480 HydrophobicContact CB-CD1 3.26Å; P158-L480 HydrophobicContact CG-CD1 4.24Å; T421-L480 HydrophobicContact CG2-CD2 4.36Å; T421-L480 WeakPolarHBondContact O-CD2 3.22Å; V470-L480 WeakPolarHBondContact CA-O 3.4Å; D471-L480 PolarHBondContact N-O 2.85Å; S478-L480 PolarHBondContact O-N 3.46Å; S478-L480 VanDerWaalsContact O-N 3.15Å; S478-L480 PolarHBondContact OG-N 3.08Å; L480-L482 PolarHBondContact O-N 3.47Å; L480-F525 HydrophobicContact CB-CD1 4.4Å; L480-F525 HydrophobicContact CB-CE1 3.84Å; L480-F525 HydrophobicContact CD1-CD1 4.04Å; L480-F525 HydrophobicContact CD1-CE1 3.61Å; L480-F525 HydrophobicContact CD1-CZ 4.02Å; L480-F525 HydrophobicContact CG-CE1 4.33Å
481	V	98.3	Very high	97.1	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.8	166	-176.7	0	0	0	0	109.1	F424 F450 Y468 V470 L524	F424-V481 HydrophobicContact CE1-CG2 3.62Å; F424-V481 HydrophobicContact CZ-CG2 3.61Å; F450-V481 HydrophobicContact CD2-CG2 4.15Å; F450-V481 HydrophobicContact CE2-CB 3.79Å; F450-V481 HydrophobicContact CE2-CG1 4.11Å; F450-V481 HydrophobicContact CE2-CG2 3.62Å; F450-V481 HydrophobicContact CZ-CB 4.05Å; F450-V481 HydrophobicContact CZ-CG1 4.09Å; F450-V481 HydrophobicContact CZ-CG2 4.38Å; Y468-V481 HydrophobicContact CD1-CG1 3.81Å; Y468-V481 HydrophobicContact CD1-CG2 4.43Å; V470-V481 HydrophobicContact CG2-CG2 4.48Å; V481-L524 HydrophobicContact CG1-CD1 4.11Å
482	L	97.8	Very high	96.9	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-38	-179.7	-57.5	179.6	0	0	0	111.9	P161 Q167 Y469 D471 L480 F525	P161-L482 HydrophobicContact CG-CD1 3.89Å; P161-L482 HydrophobicContact CG-CD2 3.8Å; Q167-L482 HydrophobicContact CG-CD1 3.93Å; Y469-L482 PolarHBondContact O-N 3.05Å; D471-L482 HydrophobicContact CB-CD1 4.18Å; D471-L482 HydrophobicContact CB-CD2 4.14Å; D471-L482 HydrophobicContact CB-CG 4.24Å; L480-L482 PolarHBondContact O-N 3.47Å; L482-F525 HydrophobicContact CD2-CE1 4.46Å
483	D	98.3	Very high	96.7	Very high	16 Å²	16	42.6 Å²	42.6	9%	0.086	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	170.7	177.2	-150.4	-16.1	0	0	0	110.6	Y469 R514 A515 T516 L524	Y469-D483 HydrophobicContact CD2-CB 4.19Å; Y469-D483 PolarHBondContact N-O 2.99Å; Y469-D483 PolarHBondContact O-N 2.88Å; D483-R514 WeakPolarHBondContact OD2-CD 3.38Å; D483-R514 WeakPolarHBondContact OD2-CG 3.37Å; D483-A515 PolarHBondContact OD1-N 2.91Å; D483-T516 HydrophobicContact CB-CG2 4.29Å; D483-T516 VanDerWaalsContact CG-CG2 3.49Å; D483-T516 WeakPolarHBondContact OD1-CG2 3.37Å; D483-T516 PolarHBondContact OD1-N 2.83Å; D483-T516 VanDerWaalsContact OD1-N 3.14Å; D483-T516 WeakPolarHBondContact OD2-CG2 3.48Å; D483-T516 PolarHBondContact OD2-OG1 2.96Å; D483-L524 VanDerWaalsContact CA-CD1 3.41Å
484	H	98.8	Very high	96.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.6	168.5	71.5	82	0	0	0	113.5	R466 I467 Y468 Y513 R514 A515 L524 Y529	R466-H484 PolarHBondContact NE-ND1 3.38Å; I467-H484 CarbonylContact O-C 3.54Å; I467-H484 WeakPolarHBondContact O-CA 3.03Å; I467-H484 VanDerWaalsContact O-CB 3.29Å; I467-H484 WeakPolarHBondContact O-CB 2.93Å; Y468-H484 HydrophobicContact CD1-CB 3.56Å; Y468-H484 HydrophobicContact CE1-CB 3.86Å; Y468-H484 HydrophobicContact CG-CB 4.37Å; H484-Y513 AromaticContact CE1-CZ 3.98Å; H484-Y513 PolarHBondContact CE1-OH 2.88Å; H484-R514 WeakPolarHBondContact O-CA 3.4Å; H484-A515 WeakPolarHBondContact NE2-CB 3.45Å; H484-A515 PolarHBondContact O-N 3.43Å; H484-L524 WeakPolarHBondContact CD2-CD1 3.48Å; H484-Y529 PolarHBondContact NE2-OH 3.47Å; H484-Y529 VanDerWaalsContact NE2-OH 3.11Å
485	E	98.8	Very high	96.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.5	-179.2	-73	178.4	165	0	0	111.1	R466 I467 Y469 Y487 L511 Y513 R514	R466-E485 CarbonylContact C-O 3.58Å; R466-E485 WeakPolarHBondContact CA-O 3.3Å; R466-E485 VanDerWaalsContact CD-O 3.32Å; R466-E485 WeakPolarHBondContact CD-O 3.3Å; I467-E485 HydrophobicContact CB-CB 4.44Å; I467-E485 PolarHBondContact N-O 3.16Å; I467-E485 PolarHBondContact O-N 3.36Å; Y469-E485 HydrophobicContact CE2-CG 3.9Å; Y469-E485 PolarHBondContact OH-OE2 3.04Å; Y469-E485 VanDerWaalsContact OH-OE2 3.11Å; E485-Y487 HydrophobicContact CB-CD2 4.38Å; E485-Y487 HydrophobicContact CB-CE2 3.92Å; E485-Y487 PolarHBondContact OE2-OH 3.47Å; E485-L511 HydrophobicContact CB-CD1 3.66Å; E485-L511 HydrophobicContact CG-CD1 3.79Å; E485-Y513 WeakPolarHBondContact CA-O 3.39Å; E485-R514 HydrophobicContact CG-CB 3.97Å; E485-R514 HydrophobicContact CG-CG 4.08Å; E485-R514 IonicContact OE1-CZ 2.7Å; E485-R514 IonicContact OE1-NE 2.72Å; E485-R514 PolarHBondContact OE1-NE 3.07Å; E485-R514 IonicContact OE1-NH2 3.86Å; E485-R514 PolarHBondContact OE1-NH2 3.38Å
486	T	98.9	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	172	-59.2	0	0	0	0	109.5	D431 P453 R466 I488 L512 Y513	D431-T486 PolarHBondContact OD2-OG1 2.86Å; P453-T486 HydrophobicContact CG-CG2 3.9Å; R466-T486 PolarHBondContact NE-OG1 3.35Å; R466-T486 PolarHBondContact NH2-OG1 2.91Å; R466-T486 VanDerWaalsContact NH2-OG1 3.11Å; T486-I488 HydrophobicContact CG2-CG2 4.3Å; T486-L512 WeakPolarHBondContact O-CB 3.22Å; T486-L512 PolarHBondContact O-N 3Å; T486-Y513 HydrophobicContact CG2-CE1 4.48Å; T486-Y513 PolarHBondContact N-O 3.26Å; T486-Y513 VanDerWaalsContact N-O 3.1Å; T486-Y513 WeakPolarHBondContact OG1-CE1 3.4Å
487	Y	98.8	Very high	94.7	Very high	42 Å²	42	30.4 Å²	30.4	17%	0.165	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.2	173.2	-76.2	-106	0	0	0	109.8	G464 Y465 I467 E485 S510 L511	G464-Y487 CarbonylContact C-O 3.58Å; G464-Y487 WeakPolarHBondContact CA-O 3.35Å; Y465-Y487 HydrophobicContact CE1-CG 4.37Å; Y465-Y487 HydrophobicContact CE2-CD2 4.01Å; Y465-Y487 AromaticContact CE2-CG 3.95Å; Y465-Y487 HydrophobicContact CE2-CG 3.95Å; Y465-Y487 AromaticContact CZ-CG 3.76Å; Y465-Y487 PolarHBondContact N-O 3.38Å; Y465-Y487 PolarHBondContact O-N 2.93Å; I467-Y487 HydrophobicContact CD1-CD2 3.99Å; I467-Y487 HydrophobicContact CD1-CE2 3.51Å; I467-Y487 HydrophobicContact CG1-CD2 4.49Å; I467-Y487 HydrophobicContact CG1-CE2 4.4Å; E485-Y487 HydrophobicContact CB-CD2 4.38Å; E485-Y487 HydrophobicContact CB-CE2 3.92Å; E485-Y487 PolarHBondContact OE2-OH 3.47Å; Y487-S510 CarbonylContact C-O 3.57Å; Y487-S510 VanDerWaalsContact CA-O 3.3Å; Y487-S510 WeakPolarHBondContact CA-O 3.39Å; Y487-L511 HydrophobicContact CD1-CB 4.36Å; Y487-L511 HydrophobicContact CD2-CD1 4.15Å; Y487-L511 HydrophobicContact CE1-CB 3.96Å; Y487-L511 HydrophobicContact CE2-CD1 3.71Å
488	I	98.8	Very high	92.9	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.046	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.5	179.6	66.2	167.3	0	0	0	112.3	N462 P463 T486 W509 S510 L512 K552	N462-I488 HydrophobicContact CB-CB 4.23Å; N462-I488 HydrophobicContact CB-CD1 4.45Å; P463-I488 CarbonylContact O-C 3.52Å; P463-I488 VanDerWaalsContact O-CA 3.23Å; P463-I488 WeakPolarHBondContact O-CA 3.2Å; P463-I488 WeakPolarHBondContact O-CB 3.24Å; T486-I488 HydrophobicContact CG2-CG2 4.3Å; I488-W509 VanDerWaalsContact C-CE3 3.5Å; I488-W509 WeakPolarHBondContact O-CA 3.21Å; I488-S510 PolarHBondContact N-O 3.48Å; I488-S510 PolarHBondContact O-N 2.62Å; I488-L512 HydrophobicContact CD1-CB 4.35Å; I488-L512 HydrophobicContact CD1-CD1 3.97Å; I488-L512 HydrophobicContact CD1-CD2 4.44Å; I488-L512 HydrophobicContact CD1-CG 4.48Å; I488-L512 HydrophobicContact CG1-CB 4.19Å; I488-L512 HydrophobicContact CG2-CB 4.11Å; I488-L512 HydrophobicContact CG2-CD2 3.97Å; I488-K552 WeakPolarHBondContact CD1-O 3.3Å; I488-K552 HydrophobicContact CG2-CB 3.85Å; I488-K552 HydrophobicContact CG2-CG 4.17Å
489	L	98.6	Very high	91.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.3	163.6	-174.6	64.6	0	0	0	108.8	W213 T225 N462 P463 L491 A494 P507 W509	W213-L489 HydrophobicContact CB-CD2 4.33Å; T225-L489 HydrophobicContact CG2-CD2 4.07Å; N462-L489 WeakPolarHBondContact CB-O 3.1Å; N462-L489 PolarHBondContact OD1-O 2.95Å; P463-L489 HydrophobicContact CB-CB 4.12Å; P463-L489 WeakPolarHBondContact CD-O 3Å; P463-L489 HydrophobicContact CG-CB 4.29Å; P463-L489 HydrophobicContact CG-CD2 4.43Å; P463-L489 PolarHBondContact O-N 3.43Å; L489-L491 HydrophobicContact CD2-CD2 4.24Å; L489-L491 PolarHBondContact O-N 3.22Å; L489-L491 VanDerWaalsContact O-N 3.1Å; L489-A494 HydrophobicContact CD1-CB 4.19Å; L489-A494 HydrophobicContact CD2-CB 4.46Å; L489-A494 HydrophobicContact CG-CB 4.2Å; L489-P507 HydrophobicContact CD1-CB 3.7Å; L489-P507 HydrophobicContact CD1-CG 4.01Å; L489-W509 HydrophobicContact CB-CD2 3.97Å; L489-W509 HydrophobicContact CB-CE3 3.96Å; L489-W509 HydrophobicContact CB-CH2 3.8Å; L489-W509 HydrophobicContact CB-CZ2 3.81Å; L489-W509 HydrophobicContact CB-CZ3 3.88Å; L489-W509 HydrophobicContact CD1-CD2 4.43Å; L489-W509 HydrophobicContact CD1-CG 4.46Å; L489-W509 HydrophobicContact CD2-CZ2 4.01Å; L489-W509 HydrophobicContact CG-CZ2 4.38Å
490	N	97.6	Very high	89.3	Confident	41 Å²	41	45.4 Å²	45.4	22%	0.219	24%	0.236	C	C	.	.			trans	-71.2	106	175.2	-175	-14.4	0	0	0	109.8	Y216 N462 T492 E493 A494	Y216-N490 PolarHBondContact OH-OD1 3.1Å; N462-N490 WeakPolarHBondContact OD1-CA 3.16Å; N490-T492 VanDerWaalsContact C-N 3.25Å; N490-T492 PolarHBondContact O-N 3.28Å; N490-T492 WeakPolarHBondContact OD1-CB 3.36Å; N490-T492 PolarHBondContact OD1-N 3.21Å; N490-E493 HydrophobicContact CB-CB 4.3Å; N490-E493 HydrophobicContact CB-CG 4.34Å; N490-E493 PolarHBondContact ND2-OE1 3.1Å; N490-E493 PolarHBondContact O-N 3.29Å; N490-A494 WeakPolarHBondContact O-CB 2.86Å; N490-A494 PolarHBondContact O-N 3.11Å
491	L	96.4	Very high	87.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-25.2	-176.4	-70.1	179.9	0	0	0	113.6	W213 Y216 T457 N462 P463 L489 E493 N495	W213-L491 HydrophobicContact CB-CD2 4.01Å; Y216-L491 HydrophobicContact CD1-CD1 4.03Å; Y216-L491 HydrophobicContact CE1-CB 4.01Å; Y216-L491 HydrophobicContact CE1-CD1 3.97Å; Y216-L491 HydrophobicContact CE1-CG 4.3Å; Y216-L491 HydrophobicContact CE2-CB 3.93Å; Y216-L491 PolarHBondContact OH-N 3.32Å; T457-L491 HydrophobicContact CG2-CD1 3.47Å; T457-L491 VanDerWaalsContact CG2-CD1 3.47Å; N462-L491 PolarHBondContact OD1-N 2.04Å; P463-L491 HydrophobicContact CG-CD1 4.45Å; P463-L491 HydrophobicContact CG-CD2 4.04Å; P463-L491 HydrophobicContact CG-CG 4.3Å; L489-L491 HydrophobicContact CD2-CD2 4.24Å; L489-L491 PolarHBondContact O-N 3.22Å; L489-L491 VanDerWaalsContact O-N 3.1Å; L491-E493 VanDerWaalsContact C-N 3.32Å; L491-N495 VanDerWaalsContact O-CB 3.26Å; L491-N495 WeakPolarHBondContact O-CB 3.38Å; L491-N495 PolarHBondContact O-N 3.46Å; L491-N495 PolarHBondContact O-ND2 2.95Å; L491-N495 VanDerWaalsContact O-ND2 3.17Å
492	T	93.3	Very high	86.8	Confident	91 Å²	91	57 Å²	57	56%	0.558	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-44	174.9	-56.2	0	0	0	0	110.3	Y216 N490 H496	Y216-T492 WeakPolarHBondContact CE2-OG1 3.45Å; N490-T492 VanDerWaalsContact C-N 3.25Å; N490-T492 PolarHBondContact O-N 3.28Å; N490-T492 WeakPolarHBondContact OD1-CB 3.36Å; N490-T492 PolarHBondContact OD1-N 3.21Å; T492-H496 WeakPolarHBondContact O-CB 3.05Å
493	E	92.7	Very high	86.1	Confident	129 Å²	129	57.9 Å²	57.9	60%	0.603	31%	0.305	S	S	*	.	H	α-helix	trans	-76.1	-43.7	178.2	-67	171.6	-151.1	0	0	111.4	N490 L491 N495 H496	N490-E493 HydrophobicContact CB-CB 4.3Å; N490-E493 HydrophobicContact CB-CG 4.34Å; N490-E493 PolarHBondContact ND2-OE1 3.1Å; N490-E493 PolarHBondContact O-N 3.29Å; L491-E493 VanDerWaalsContact C-N 3.32Å; E493-N495 VanDerWaalsContact C-N 3.35Å; E493-N495 PolarHBondContact O-N 2.91Å; E493-H496 CarbonylContact O-C 3.52Å; E493-H496 PolarHBondContact O-N 2.91Å; E493-H496 VanDerWaalsContact O-O 3.08Å
494	A	94.4	Very high	85.5	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-38.2	-176.8	0	0	0	0	0	112.8	W213 L489 N490 E504 P507	W213-A494 HydrophobicContact CB-CB 4.41Å; W213-A494 VanDerWaalsContact CD1-O 3.23Å; W213-A494 HydrophobicContact CG-CB 4.18Å; W213-A494 PolarHBondContact NE1-O 3.37Å; L489-A494 HydrophobicContact CD1-CB 4.19Å; L489-A494 HydrophobicContact CD2-CB 4.46Å; L489-A494 HydrophobicContact CG-CB 4.2Å; N490-A494 WeakPolarHBondContact O-CB 2.86Å; N490-A494 PolarHBondContact O-N 3.11Å; A494-E504 PolarHBondContact O-N 3.38Å; A494-P507 HydrophobicContact CB-CB 3.64Å; A494-P507 HydrophobicContact CB-CG 4.48Å
495	N	92.8	Very high	84.8	Confident	44 Å²	44	68 Å²	68	24%	0.235	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.1	-179.8	-70.1	-46.3	0	0	0	113.8	Y212 W213 G214 L491 E493	Y212-N495 PolarHBondContact N-OD1 3.34Å; W213-N495 PolarHBondContact N-OD1 3.16Å; G214-N495 PolarHBondContact O-ND2 2.92Å; L491-N495 VanDerWaalsContact O-CB 3.26Å; L491-N495 WeakPolarHBondContact O-CB 3.38Å; L491-N495 PolarHBondContact O-N 3.46Å; L491-N495 PolarHBondContact O-ND2 2.95Å; L491-N495 VanDerWaalsContact O-ND2 3.17Å; E493-N495 VanDerWaalsContact C-N 3.35Å; E493-N495 PolarHBondContact O-N 2.91Å
496	H	82.9	Confident	84.3	Confident	116 Å²	116	73.6 Å²	73.6	54%	0.537	38%	0.382	S	S	.	.			trans	-137.6	104.4	-177.6	-173.1	-64.3	0	0	0	111.6	T492 E493 P498	T492-H496 WeakPolarHBondContact O-CB 3.05Å; E493-H496 CarbonylContact O-C 3.52Å; E493-H496 PolarHBondContact O-N 2.91Å; E493-H496 VanDerWaalsContact O-O 3.08Å; H496-P498 WeakPolarHBondContact O-CD 3.47Å
497	D	64.2	Low	84	Confident	38 Å²	38	74 Å²	74	20%	0.203	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-76.3	121.1	168.2	179.8	-2.9	0	0	0	109.9	K499 S500 N502	D497-K499 PolarHBondContact O-N 3.16Å; D497-K499 WeakPolarHBondContact OD1-CB 3.33Å; D497-K499 PolarHBondContact OD1-N 3.43Å; D497-S500 CarbonylContact O-C 3.56Å; D497-S500 PolarHBondContact O-N 3.17Å; D497-S500 VanDerWaalsContact O-N 3.11Å; D497-S500 WeakPolarHBondContact OD2-CB 3.42Å; D497-N502 WeakPolarHBondContact CB-O 3.32Å; D497-N502 PolarHBondContact N-O 3.28Å
498	P	59.3	Low	83.7	Confident	121 Å²	121	79.9 Å²	79.9	79%	0.786	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-15	175	-22.9	33.6	0	0	0	114.5	H496	H496-P498 WeakPolarHBondContact O-CD 3.47Å
499	K	57.2	Low	83.7	Confident	197 Å²	197	80 Å²	80	86%	0.857	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-4.5	-178.6	-58.9	176.8	-177.2	172.2	0	113.7	D497	D497-K499 PolarHBondContact O-N 3.16Å; D497-K499 WeakPolarHBondContact OD1-CB 3.33Å; D497-K499 PolarHBondContact OD1-N 3.43Å
500	S	60.4	Low	83.6	Confident	40 Å²	40	81.9 Å²	81.9	28%	0.28	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-159	144.3	-173	164.5	0	0	0	0	111.7	D497 N502	D497-S500 CarbonylContact O-C 3.56Å; D497-S500 PolarHBondContact O-N 3.17Å; D497-S500 VanDerWaalsContact O-N 3.11Å; D497-S500 WeakPolarHBondContact OD2-CB 3.42Å; S500-N502 PolarHBondContact O-N 3.47Å; S500-N502 WeakPolarHBondContact OG-CB 3.35Å; S500-N502 PolarHBondContact OG-N 3.38Å; S500-N502 VanDerWaalsContact OG-N 3.12Å; S500-N502 PolarHBondContact OG-ND2 2.88Å
501	D	66.6	Low	83.7	Confident	171 Å²	171	83.4 Å²	83.4	91%	0.914	43%	0.432	S	S	*	.	S	Bend	trans	-69.2	7.1	172.3	-70.2	-34.8	0	0	0	113.7
502	N	75.7	Confident	83.8	Confident	106 Å²	106	85 Å²	85	57%	0.567	44%	0.44	S	S	*	.	S	Bend	trans	-100.5	152.9	-179.3	-62.2	-58.5	0	0	0	111.3	D497 S500	D497-N502 WeakPolarHBondContact CB-O 3.32Å; D497-N502 PolarHBondContact N-O 3.28Å; S500-N502 PolarHBondContact O-N 3.47Å; S500-N502 WeakPolarHBondContact OG-CB 3.35Å; S500-N502 PolarHBondContact OG-N 3.38Å; S500-N502 VanDerWaalsContact OG-N 3.12Å; S500-N502 PolarHBondContact OG-ND2 2.88Å
503	P	83.6	Confident	84	Confident	41 Å²	41	81.5 Å²	81.5	27%	0.266	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-61.4	149.8	172.2	27.4	-36.2	0	0	0	111.6	Y212 Q505	Y212-P503 HydrophobicContact CD1-CB 4.15Å; Y212-P503 HydrophobicContact CD1-CG 4.03Å; Y212-P503 HydrophobicContact CD2-CG 4.31Å; Y212-P503 HydrophobicContact CG-CB 4.12Å; Y212-P503 HydrophobicContact CG-CG 3.76Å; P503-Q505 PolarHBondContact O-N 3.49Å
504	E	85.6	Confident	84.3	Confident	72 Å²	72	79.6 Å²	79.6	34%	0.336	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.5	127.9	173.2	173.6	54.2	-103.3	0	0	109	W213 A494 N506 P507	W213-E504 VanDerWaalsContact CZ2-O 3.3Å; W213-E504 WeakPolarHBondContact CZ2-O 3.31Å; W213-E504 PolarHBondContact NE1-O 2.89Å; A494-E504 PolarHBondContact O-N 3.38Å; E504-N506 VanDerWaalsContact C-N 3.34Å; E504-N506 PolarHBondContact OE1-N 3.25Å; E504-P507 HydrophobicContact CB-CB 4.49Å; E504-P507 HydrophobicContact CG-CB 4.24Å
505	Q	85.1	Confident	84.5	Confident	159 Å²	159	79.4 Å²	79.4	74%	0.743	40%	0.403	S	S	*	.	S	Bend	trans	-71.6	-32.7	-175.6	-68.8	-175.3	-4	0	0	111.8	P503	P503-Q505 PolarHBondContact O-N 3.49Å
506	N	87.3	Confident	84.7	Confident	122 Å²	122	78.8 Å²	78.8	65%	0.652	40%	0.4	S	S	*	.	S	Bend	trans	-129	75.1	-179.7	-66.9	-56.4	0	0	0	110.1	E504	E504-N506 VanDerWaalsContact C-N 3.34Å; E504-N506 PolarHBondContact OE1-N 3.25Å
507	P	93.1	Very high	85.4	Confident	8 Å²	8	80.5 Å²	80.5	5%	0.052	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-69.3	144.1	-171.8	34.5	-40.8	0	0	0	110.6	W213 L489 A494 E504	W213-P507 HydrophobicContact CD2-CG 3.91Å; W213-P507 HydrophobicContact CE3-CG 4.3Å; W213-P507 HydrophobicContact CG-CG 4.45Å; W213-P507 HydrophobicContact CH2-CG 4.12Å; W213-P507 HydrophobicContact CZ2-CG 3.71Å; W213-P507 HydrophobicContact CZ3-CG 4.4Å; L489-P507 HydrophobicContact CD1-CB 3.7Å; L489-P507 HydrophobicContact CD1-CG 4.01Å; A494-P507 HydrophobicContact CB-CB 3.64Å; A494-P507 HydrophobicContact CB-CG 4.48Å; E504-P507 HydrophobicContact CB-CB 4.49Å; E504-P507 HydrophobicContact CG-CB 4.24Å
508	K	93.3	Very high	87	Confident	167 Å²	167	79.3 Å²	79.3	73%	0.726	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-87.1	123.7	-175.5	-178.3	-176.9	174.9	-170.5	0	110.3
509	W	97.7	Very high	88.8	Confident	10 Å²	10	74.9 Å²	74.9	4%	0.038	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.8	162.1	-64.4	72.3	0	0	0	109.5	N228 L229 N232 P463 Y465 I488 L489	N228-W509 PolarHBondContact OD1-NE1 3.49Å; L229-W509 HydrophobicContact CB-CH2 3.75Å; L229-W509 HydrophobicContact CB-CZ2 3.49Å; L229-W509 VanDerWaalsContact CB-CZ2 3.49Å; L229-W509 HydrophobicContact CD1-CH2 3.63Å; L229-W509 HydrophobicContact CD1-CZ2 4.28Å; L229-W509 HydrophobicContact CD1-CZ3 4.17Å; L229-W509 HydrophobicContact CG-CH2 3.67Å; L229-W509 HydrophobicContact CG-CZ2 3.92Å; L229-W509 HydrophobicContact CG-CZ3 4.17Å; N232-W509 HydrophobicContact CB-CB 4.32Å; N232-W509 HydrophobicContact CB-CG 3.86Å; N232-W509 VanDerWaalsContact CG-CB 3.43Å; N232-W509 VanDerWaalsContact OD1-CB 3.27Å; N232-W509 WeakPolarHBondContact OD1-CB 3.45Å; P463-W509 HydrophobicContact CB-CH2 3.65Å; P463-W509 HydrophobicContact CB-CZ3 4.18Å; Y465-W509 AromaticContact CD1-CE3 3.74Å; Y465-W509 HydrophobicContact CD1-CE3 3.74Å; Y465-W509 AromaticContact CD1-CZ3 3.85Å; Y465-W509 HydrophobicContact CD1-CZ3 3.85Å; Y465-W509 HydrophobicContact CE1-CD2 4.08Å; Y465-W509 AromaticContact CE1-CE3 3.63Å; Y465-W509 HydrophobicContact CE1-CE3 3.63Å; Y465-W509 HydrophobicContact CE1-CG 4.49Å; Y465-W509 HydrophobicContact CE1-CZ3 4.21Å; I488-W509 VanDerWaalsContact C-CE3 3.5Å; I488-W509 WeakPolarHBondContact O-CA 3.21Å; L489-W509 HydrophobicContact CB-CD2 3.97Å; L489-W509 HydrophobicContact CB-CE3 3.96Å; L489-W509 HydrophobicContact CB-CH2 3.8Å; L489-W509 HydrophobicContact CB-CZ2 3.81Å; L489-W509 HydrophobicContact CB-CZ3 3.88Å; L489-W509 HydrophobicContact CD1-CD2 4.43Å; L489-W509 HydrophobicContact CD1-CG 4.46Å; L489-W509 HydrophobicContact CD2-CZ2 4.01Å; L489-W509 HydrophobicContact CG-CZ2 4.38Å
510	S	97.4	Very high	90.7	Very high	41 Å²	41	68.7 Å²	68.7	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.6	-175.3	60.4	0	0	0	0	110.9	Y487 I488 L512	Y487-S510 CarbonylContact C-O 3.57Å; Y487-S510 VanDerWaalsContact CA-O 3.3Å; Y487-S510 WeakPolarHBondContact CA-O 3.39Å; I488-S510 PolarHBondContact N-O 3.48Å; I488-S510 PolarHBondContact O-N 2.62Å; S510-L512 PolarHBondContact O-N 3.34Å
511	L	98.4	Very high	92.4	Very high	74 Å²	74	68.1 Å²	68.1	39%	0.387	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	116.9	168.7	176.3	66.4	0	0	0	107.8	E485 Y487 Y513	E485-L511 HydrophobicContact CB-CD1 3.66Å; E485-L511 HydrophobicContact CG-CD1 3.79Å; Y487-L511 HydrophobicContact CD1-CB 4.36Å; Y487-L511 HydrophobicContact CD2-CD1 4.15Å; Y487-L511 HydrophobicContact CE1-CB 3.96Å; Y487-L511 HydrophobicContact CE2-CD1 3.71Å; L511-Y513 WeakPolarHBondContact CD1-O 3.37Å
512	L	98.6	Very high	93.6	Very high	35 Å²	35	65.1 Å²	65.1	18%	0.183	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-48.9	173.6	178.1	60.8	0	0	0	110	T486 I488 S510 Y548 L549	T486-L512 WeakPolarHBondContact O-CB 3.22Å; T486-L512 PolarHBondContact O-N 3Å; I488-L512 HydrophobicContact CD1-CB 4.35Å; I488-L512 HydrophobicContact CD1-CD1 3.97Å; I488-L512 HydrophobicContact CD1-CD2 4.44Å; I488-L512 HydrophobicContact CD1-CG 4.48Å; I488-L512 HydrophobicContact CG1-CB 4.19Å; I488-L512 HydrophobicContact CG2-CB 4.11Å; I488-L512 HydrophobicContact CG2-CD2 3.97Å; S510-L512 PolarHBondContact O-N 3.34Å; L512-Y548 HydrophobicContact CD1-CE1 4Å; L512-L549 HydrophobicContact CD1-CD2 4.11Å; L512-L549 HydrophobicContact CD2-CD2 3.98Å; L512-L549 HydrophobicContact CG-CD2 3.72Å
513	Y	98.8	Very high	94.4	Very high	16 Å²	16	60.6 Å²	60.6	6%	0.063	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	160.4	176.3	78.3	-72.5	0	0	0	112.6	D431 H484 E485 T486 L511 A515 A518 Y519 L549	D431-Y513 PolarHBondContact OD1-OH 2.93Å; D431-Y513 VanDerWaalsContact OD1-OH 3.07Å; D431-Y513 WeakPolarHBondContact OD2-CE1 3.28Å; D431-Y513 PolarHBondContact OD2-OH 2.88Å; H484-Y513 AromaticContact CE1-CZ 3.98Å; H484-Y513 PolarHBondContact CE1-OH 2.88Å; E485-Y513 WeakPolarHBondContact CA-O 3.39Å; T486-Y513 HydrophobicContact CG2-CE1 4.48Å; T486-Y513 PolarHBondContact N-O 3.26Å; T486-Y513 VanDerWaalsContact N-O 3.1Å; T486-Y513 WeakPolarHBondContact OG1-CE1 3.4Å; L511-Y513 WeakPolarHBondContact CD1-O 3.37Å; Y513-A515 HydrophobicContact CE2-CB 4.05Å; Y513-A518 HydrophobicContact CD2-CB 3.56Å; Y513-A518 HydrophobicContact CE2-CB 4.43Å; Y513-A518 HydrophobicContact CG-CB 4.24Å; Y513-Y519 AromaticContact CE2-CE2 3.93Å; Y513-Y519 HydrophobicContact CE2-CE2 3.93Å; Y513-L549 HydrophobicContact CD1-CB 4.32Å; Y513-L549 HydrophobicContact CD1-CD1 4.13Å; Y513-L549 HydrophobicContact CD1-CD2 3.67Å; Y513-L549 HydrophobicContact CD1-CG 4.24Å; Y513-L549 HydrophobicContact CD2-CD1 3.89Å; Y513-L549 HydrophobicContact CE1-CB 4.1Å; Y513-L549 HydrophobicContact CE1-CD1 4.4Å; Y513-L549 HydrophobicContact CE1-CD2 4.31Å; Y513-L549 HydrophobicContact CE1-CG 4.49Å; Y513-L549 HydrophobicContact CE2-CD1 4.2Å; Y513-L549 HydrophobicContact CG-CD1 3.84Å; Y513-L549 HydrophobicContact CG-CD2 3.9Å; Y513-L549 HydrophobicContact CG-CG 4.39Å
514	R	98.6	Very high	95	Very high	90 Å²	90	58.8 Å²	58.8	34%	0.34	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.9	161	179.3	178.1	-76	-165.8	-3.3	109	D483 H484 E485 E517 A518	D483-R514 WeakPolarHBondContact OD2-CD 3.38Å; D483-R514 WeakPolarHBondContact OD2-CG 3.37Å; H484-R514 WeakPolarHBondContact O-CA 3.4Å; E485-R514 HydrophobicContact CG-CB 3.97Å; E485-R514 HydrophobicContact CG-CG 4.08Å; E485-R514 IonicContact OE1-CZ 2.7Å; E485-R514 IonicContact OE1-NE 2.72Å; E485-R514 PolarHBondContact OE1-NE 3.07Å; E485-R514 IonicContact OE1-NH2 3.86Å; E485-R514 PolarHBondContact OE1-NH2 3.38Å; R514-E517 HydrophobicContact CB-CB 4.4Å; R514-E517 PolarHBondContact O-N 3.32Å; R514-A518 VanDerWaalsContact O-CB 3.3Å; R514-A518 WeakPolarHBondContact O-CB 3.44Å; R514-A518 PolarHBondContact O-N 3.23Å
515	A	98.3	Very high	95.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-48.9	-166.7	0	0	0	0	0	114	D483 H484 Y513 E517 A518 Y519 L524	D483-A515 PolarHBondContact OD1-N 2.91Å; H484-A515 WeakPolarHBondContact NE2-CB 3.45Å; H484-A515 PolarHBondContact O-N 3.43Å; Y513-A515 HydrophobicContact CE2-CB 4.05Å; A515-E517 VanDerWaalsContact C-N 3.33Å; A515-E517 PolarHBondContact O-N 3.12Å; A515-A518 PolarHBondContact O-N 2.96Å; A515-Y519 WeakPolarHBondContact O-CD2 3.48Å; A515-Y519 PolarHBondContact O-N 3.43Å; A515-Y519 VanDerWaalsContact O-N 3.08Å; A515-L524 HydrophobicContact CB-CD1 4.11Å; A515-L524 HydrophobicContact CB-CD2 3.98Å
516	T	97.2	Very high	96.1	Very high	30 Å²	30	49 Å²	49	18%	0.184	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-42.3	179.7	58.7	0	0	0	0	112.2	D483 G520 L521 L524	D483-T516 HydrophobicContact CB-CG2 4.29Å; D483-T516 VanDerWaalsContact CG-CG2 3.49Å; D483-T516 WeakPolarHBondContact OD1-CG2 3.37Å; D483-T516 PolarHBondContact OD1-N 2.83Å; D483-T516 VanDerWaalsContact OD1-N 3.14Å; D483-T516 WeakPolarHBondContact OD2-CG2 3.48Å; D483-T516 PolarHBondContact OD2-OG1 2.96Å; T516-G520 CarbonylContact O-C 3.52Å; T516-G520 VanDerWaalsContact O-CA 3.28Å; T516-G520 WeakPolarHBondContact O-CA 3.17Å; T516-G520 PolarHBondContact O-N 3.32Å; T516-L521 WeakPolarHBondContact CB-O 3.47Å; T516-L521 PolarHBondContact O-N 3.28Å; T516-L524 HydrophobicContact CG2-CD2 3.84Å; T516-L524 HydrophobicContact CG2-CG 4.27Å
517	E	98.1	Very high	96.5	Very high	152 Å²	152	46.6 Å²	46.6	71%	0.71	26%	0.263	S	S	*	.	H	α-helix	trans	-67.7	-44.6	177.4	-176.1	-178.9	175.9	0	0	111.8	R514 A515 Y519	R514-E517 HydrophobicContact CB-CB 4.4Å; R514-E517 PolarHBondContact O-N 3.32Å; A515-E517 VanDerWaalsContact C-N 3.33Å; A515-E517 PolarHBondContact O-N 3.12Å; E517-Y519 VanDerWaalsContact C-N 3.32Å; E517-Y519 PolarHBondContact O-N 2.98Å
518	A	97.6	Very high	96.6	Very high	14 Å²	14	47.7 Å²	47.7	12%	0.116	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-37.6	-176.6	0	0	0	0	0	112.6	Y513 R514 A515 K545 L549	Y513-A518 HydrophobicContact CD2-CB 3.56Å; Y513-A518 HydrophobicContact CE2-CB 4.43Å; Y513-A518 HydrophobicContact CG-CB 4.24Å; R514-A518 VanDerWaalsContact O-CB 3.3Å; R514-A518 WeakPolarHBondContact O-CB 3.44Å; R514-A518 PolarHBondContact O-N 3.23Å; A515-A518 PolarHBondContact O-N 2.96Å; A518-K545 WeakPolarHBondContact O-CE 3.48Å; A518-K545 PolarHBondContact O-NZ 2.91Å; A518-L549 HydrophobicContact CB-CD1 4.09Å
519	Y	96.9	Very high	96.7	Very high	27 Å²	27	40 Å²	40	11%	0.106	24%	0.235	C	C	.	.	H	α-helix	trans	-106.1	0.5	-175.4	-59	-55.7	0	0	0	113.8	Y513 A515 E517 L521 L532 F536 F546 L549	Y513-Y519 AromaticContact CE2-CE2 3.93Å; Y513-Y519 HydrophobicContact CE2-CE2 3.93Å; A515-Y519 WeakPolarHBondContact O-CD2 3.48Å; A515-Y519 PolarHBondContact O-N 3.43Å; A515-Y519 VanDerWaalsContact O-N 3.08Å; E517-Y519 VanDerWaalsContact C-N 3.32Å; E517-Y519 PolarHBondContact O-N 2.98Å; Y519-L521 VanDerWaalsContact C-N 3.29Å; Y519-L521 PolarHBondContact O-N 2.91Å; Y519-L532 HydrophobicContact CD1-CD1 4.04Å; Y519-L532 HydrophobicContact CD1-CD2 4.36Å; Y519-L532 HydrophobicContact CD2-CD2 3.95Å; Y519-L532 HydrophobicContact CE2-CD2 4.42Å; Y519-L532 HydrophobicContact CG-CD1 4.04Å; Y519-L532 HydrophobicContact CG-CD2 3.92Å; Y519-F536 HydrophobicContact CD1-CE1 4.43Å; Y519-F536 HydrophobicContact CE1-CE1 4.31Å; Y519-F536 HydrophobicContact CE1-CZ 4.22Å; Y519-F546 HydrophobicContact CE1-CB 4Å; Y519-F546 WeakPolarHBondContact OH-CD2 3.44Å; Y519-L549 HydrophobicContact CE1-CD1 4.22Å; Y519-L549 WeakPolarHBondContact OH-CD1 3.2Å
520	G	96.4	Very high	96.6	Very high	68 Å²	68	40.3 Å²	40.3	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	33.3	-178.5	0	0	0	0	0	113.2	T516	T516-G520 CarbonylContact O-C 3.52Å; T516-G520 VanDerWaalsContact O-CA 3.28Å; T516-G520 WeakPolarHBondContact O-CA 3.17Å; T516-G520 PolarHBondContact O-N 3.32Å
521	L	95.4	Very high	96.6	Very high	27 Å²	27	40.6 Å²	40.6	14%	0.141	24%	0.243	C	C	.	.			trans	-91	142.9	-177.3	-59.6	178.2	0	0	0	111.5	T516 Y519 L524 L532	T516-L521 WeakPolarHBondContact CB-O 3.47Å; T516-L521 PolarHBondContact O-N 3.28Å; Y519-L521 VanDerWaalsContact C-N 3.29Å; Y519-L521 PolarHBondContact O-N 2.91Å; L521-L524 HydrophobicContact CD1-CD2 4.11Å; L521-L532 HydrophobicContact CD1-CD2 4.14Å; L521-L532 HydrophobicContact CD2-CB 4.32Å
522	S	92.3	Very high	96.5	Very high	109 Å²	109	37.2 Å²	37.2	76%	0.762	23%	0.225	S	C	*	.	S	Bend	trans	-77.4	-25.2	173.2	41.6	0	0	0	0	113.7	D528	S522-D528 PolarHBondContact OG-OD1 3.32Å
523	S	93.7	Very high	96.3	Very high	10 Å²	10	36 Å²	36	7%	0.07	22%	0.218	C	C	.	.			trans	-157.9	171.7	177.4	97.8	0	0	0	0	110.2	F525 D528	S523-F525 VanDerWaalsContact OG-CB 3.29Å; S523-F525 WeakPolarHBondContact OG-CB 3.43Å; S523-F525 VanDerWaalsContact OG-CD2 3.26Å; S523-F525 WeakPolarHBondContact OG-CD2 3.05Å; S523-F525 WeakPolarHBondContact OG-CG 3.32Å; S523-F525 PolarHBondContact OG-N 3.41Å; S523-D528 VanDerWaalsContact O-CB 3.24Å; S523-D528 WeakPolarHBondContact O-CB 3.48Å; S523-D528 PolarHBondContact OG-OD2 3Å
524	L	95.9	Very high	96	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	24%	0.244	C	C	.	.			trans	-101.3	21.9	173.3	-62	-160.2	0	0	0	112.8	F450 V481 D483 H484 A515 T516 L521 Y529	F450-L524 HydrophobicContact CE1-CD1 4.43Å; F450-L524 HydrophobicContact CZ-CB 4.4Å; V481-L524 HydrophobicContact CG1-CD1 4.11Å; D483-L524 VanDerWaalsContact CA-CD1 3.41Å; H484-L524 WeakPolarHBondContact CD2-CD1 3.48Å; A515-L524 HydrophobicContact CB-CD1 4.11Å; A515-L524 HydrophobicContact CB-CD2 3.98Å; T516-L524 HydrophobicContact CG2-CD2 3.84Å; T516-L524 HydrophobicContact CG2-CG 4.27Å; L521-L524 HydrophobicContact CD1-CD2 4.11Å; L524-Y529 HydrophobicContact CB-CD2 4.31Å; L524-Y529 HydrophobicContact CB-CE2 3.7Å; L524-Y529 HydrophobicContact CD1-CE2 4.26Å; L524-Y529 HydrophobicContact CD2-CE2 3.64Å; L524-Y529 HydrophobicContact CG-CE2 4.03Å
525	F	96	Very high	95.9	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.035	24%	0.244	C	C	.	.	S	Bend	trans	-69.8	159.5	178.2	-62.9	-15.3	0	0	0	112.1	P158 P160 L480 L482 S523 S527 D528 Y529	P158-F525 HydrophobicContact CB-CD1 4.45Å; P158-F525 HydrophobicContact CB-CD2 3.87Å; P158-F525 HydrophobicContact CB-CE1 4.44Å; P158-F525 HydrophobicContact CB-CE2 3.85Å; P158-F525 HydrophobicContact CB-CG 4.18Å; P158-F525 HydrophobicContact CB-CZ 4.15Å; P158-F525 HydrophobicContact CG-CB 4.07Å; P158-F525 HydrophobicContact CG-CD1 4.43Å; P158-F525 HydrophobicContact CG-CD2 3.67Å; P158-F525 HydrophobicContact CG-CE2 4.18Å; P158-F525 HydrophobicContact CG-CG 3.81Å; P160-F525 HydrophobicContact CG-CE2 4.11Å; L480-F525 HydrophobicContact CB-CD1 4.4Å; L480-F525 HydrophobicContact CB-CE1 3.84Å; L480-F525 HydrophobicContact CD1-CD1 4.04Å; L480-F525 HydrophobicContact CD1-CE1 3.61Å; L480-F525 HydrophobicContact CD1-CZ 4.02Å; L480-F525 HydrophobicContact CG-CE1 4.33Å; L482-F525 HydrophobicContact CD2-CE1 4.46Å; S523-F525 VanDerWaalsContact OG-CB 3.29Å; S523-F525 WeakPolarHBondContact OG-CB 3.43Å; S523-F525 VanDerWaalsContact OG-CD2 3.26Å; S523-F525 WeakPolarHBondContact OG-CD2 3.05Å; S523-F525 WeakPolarHBondContact OG-CG 3.32Å; S523-F525 PolarHBondContact OG-N 3.41Å; F525-S527 PolarHBondContact O-N 3.06Å; F525-S527 VanDerWaalsContact O-N 3.1Å; F525-D528 PolarHBondContact O-N 3.45Å; F525-Y529 PolarHBondContact O-N 3.05Å; F525-Y529 VanDerWaalsContact O-N 3.14Å
526	P	96.2	Very high	95.8	Very high	18 Å²	18	41.2 Å²	41.2	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-54.7	-34.5	-176.3	-26.8	34	0	0	0	114.3	M435 P445 V448 N530	M435-P526 HydrophobicContact CE-CB 4.43Å; M435-P526 VanDerWaalsContact CE-O 3.26Å; M435-P526 WeakPolarHBondContact CE-O 3.33Å; P445-P526 HydrophobicContact CB-CB 3.86Å; P445-P526 WeakPolarHBondContact CB-O 3.37Å; P445-P526 HydrophobicContact CG-CB 4.49Å; V448-P526 HydrophobicContact CG2-CB 4.21Å; V448-P526 HydrophobicContact CG2-CG 4.21Å; P526-N530 VanDerWaalsContact O-CB 3.26Å; P526-N530 WeakPolarHBondContact O-CB 3.41Å; P526-N530 PolarHBondContact O-N 2.88Å
527	S	95.6	Very high	95.4	Very high	70 Å²	70	43.5 Å²	43.5	49%	0.49	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-39.4	176.5	48.4	0	0	0	0	113.4	F525 A531	F525-S527 PolarHBondContact O-N 3.06Å; F525-S527 VanDerWaalsContact O-N 3.1Å; S527-A531 PolarHBondContact O-N 3.23Å
528	D	96.4	Very high	95.2	Very high	31 Å²	31	41.1 Å²	41.1	17%	0.166	25%	0.254	C	S	.	.	H	α-helix	trans	-72.9	-40.9	-179.2	-65.9	-69	0	0	0	111.1	S522 S523 F525 A531 L532	S522-D528 PolarHBondContact OG-OD1 3.32Å; S523-D528 VanDerWaalsContact O-CB 3.24Å; S523-D528 WeakPolarHBondContact O-CB 3.48Å; S523-D528 PolarHBondContact OG-OD2 3Å; F525-D528 PolarHBondContact O-N 3.45Å; D528-A531 WeakPolarHBondContact O-CB 3.44Å; D528-A531 PolarHBondContact O-N 3.19Å; D528-L532 PolarHBondContact O-N 3.47Å
529	Y	95.7	Very high	95.1	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-38.4	173.1	-96.4	-93.9	0	0	0	112.8	F433 V448 F450 H484 L524 F525 A531 L532 L533	F433-Y529 HydrophobicContact CB-CE1 4.41Å; F433-Y529 AromaticContact CD1-CD1 3.92Å; F433-Y529 HydrophobicContact CD1-CD1 3.92Å; F433-Y529 AromaticContact CD1-CE1 3.55Å; F433-Y529 HydrophobicContact CD1-CE1 3.55Å; F433-Y529 AromaticContact CD2-CD1 3.68Å; F433-Y529 HydrophobicContact CD2-CD1 3.68Å; F433-Y529 HydrophobicContact CD2-CE1 4.11Å; F433-Y529 AromaticContact CE1-CD1 3.83Å; F433-Y529 HydrophobicContact CE1-CD1 3.83Å; F433-Y529 AromaticContact CE1-CE1 3.71Å; F433-Y529 HydrophobicContact CE1-CE1 3.71Å; F433-Y529 AromaticContact CE2-CD1 3.59Å; F433-Y529 HydrophobicContact CE2-CD1 3.59Å; F433-Y529 HydrophobicContact CE2-CE1 4.25Å; F433-Y529 AromaticContact CG-CD1 3.84Å; F433-Y529 HydrophobicContact CG-CD1 3.84Å; F433-Y529 AromaticContact CG-CE1 3.75Å; F433-Y529 HydrophobicContact CG-CE1 3.75Å; F433-Y529 AromaticContact CZ-CD1 3.66Å; F433-Y529 HydrophobicContact CZ-CD1 3.66Å; F433-Y529 HydrophobicContact CZ-CE1 4.05Å; V448-Y529 HydrophobicContact CG1-CD1 4.36Å; V448-Y529 HydrophobicContact CG1-CG 4.39Å; V448-Y529 HydrophobicContact CG2-CD2 4.4Å; V448-Y529 HydrophobicContact CG2-CG 4.24Å; F450-Y529 HydrophobicContact CE1-CE1 4.47Å; F450-Y529 AromaticContact CE1-CE2 3.8Å; F450-Y529 HydrophobicContact CE1-CE2 3.8Å; F450-Y529 AromaticContact CE1-CZ 3.71Å; F450-Y529 HydrophobicContact CZ-CE2 4.36Å; H484-Y529 PolarHBondContact NE2-OH 3.47Å; H484-Y529 VanDerWaalsContact NE2-OH 3.11Å; L524-Y529 HydrophobicContact CB-CD2 4.31Å; L524-Y529 HydrophobicContact CB-CE2 3.7Å; L524-Y529 HydrophobicContact CD1-CE2 4.26Å; L524-Y529 HydrophobicContact CD2-CE2 3.64Å; L524-Y529 HydrophobicContact CG-CE2 4.03Å; F525-Y529 PolarHBondContact O-N 3.05Å; F525-Y529 VanDerWaalsContact O-N 3.14Å; Y529-A531 VanDerWaalsContact C-N 3.29Å; Y529-A531 PolarHBondContact O-N 3.37Å; Y529-L532 WeakPolarHBondContact O-CB 3.36Å; Y529-L532 PolarHBondContact O-N 2.83Å; Y529-L533 PolarHBondContact O-N 2.9Å
530	N	95.6	Very high	95	Very high	18 Å²	18	46.7 Å²	46.7	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-36.5	173.1	-175.1	63.8	0	0	0	111.9	M435 Y437 P445 P526 L533 R534	M435-N530 HydrophobicContact CE-CB 4.03Å; Y437-N530 WeakPolarHBondContact CE1-OD1 3.46Å; Y437-N530 PolarHBondContact OH-OD1 3.34Å; P445-N530 HydrophobicContact CB-CB 3.94Å; P445-N530 HydrophobicContact CG-CB 3.77Å; P526-N530 VanDerWaalsContact O-CB 3.26Å; P526-N530 WeakPolarHBondContact O-CB 3.41Å; P526-N530 PolarHBondContact O-N 2.88Å; N530-L533 PolarHBondContact O-N 3.36Å; N530-R534 WeakPolarHBondContact O-CG 3.41Å; N530-R534 PolarHBondContact O-N 3.38Å
531	A	95.9	Very high	95	Very high	47 Å²	47	53.6 Å²	53.6	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-40.6	172.3	0	0	0	0	0	111.5	S527 D528 Y529 L533 R534 T535	S527-A531 PolarHBondContact O-N 3.23Å; D528-A531 WeakPolarHBondContact O-CB 3.44Å; D528-A531 PolarHBondContact O-N 3.19Å; Y529-A531 VanDerWaalsContact C-N 3.29Å; Y529-A531 PolarHBondContact O-N 3.37Å; A531-L533 VanDerWaalsContact C-N 3.33Å; A531-L533 PolarHBondContact O-N 2.88Å; A531-R534 WeakPolarHBondContact O-CB 3.49Å; A531-R534 PolarHBondContact O-N 3.29Å; A531-R534 VanDerWaalsContact O-N 3.12Å; A531-T535 PolarHBondContact O-N 3.01Å; A531-T535 PolarHBondContact O-OG1 2.95Å
532	L	96.4	Very high	95.1	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-42.8	174.2	-179.3	60.6	0	0	0	112.1	Y519 L521 D528 Y529 R534 T535 F536 T542	Y519-L532 HydrophobicContact CD1-CD1 4.04Å; Y519-L532 HydrophobicContact CD1-CD2 4.36Å; Y519-L532 HydrophobicContact CD2-CD2 3.95Å; Y519-L532 HydrophobicContact CE2-CD2 4.42Å; Y519-L532 HydrophobicContact CG-CD1 4.04Å; Y519-L532 HydrophobicContact CG-CD2 3.92Å; L521-L532 HydrophobicContact CD1-CD2 4.14Å; L521-L532 HydrophobicContact CD2-CB 4.32Å; D528-L532 PolarHBondContact O-N 3.47Å; Y529-L532 WeakPolarHBondContact O-CB 3.36Å; Y529-L532 PolarHBondContact O-N 2.83Å; L532-R534 VanDerWaalsContact C-N 3.33Å; L532-R534 PolarHBondContact O-N 2.7Å; L532-T535 CarbonylContact O-C 3.58Å; L532-T535 WeakPolarHBondContact O-CA 3.45Å; L532-T535 WeakPolarHBondContact O-CB 3.4Å; L532-T535 PolarHBondContact O-N 3.04Å; L532-T535 VanDerWaalsContact O-N 3.13Å; L532-F536 HydrophobicContact CD1-CD1 4.15Å; L532-F536 HydrophobicContact CD1-CE1 3.52Å; L532-F536 HydrophobicContact CD1-CE2 4.38Å; L532-F536 HydrophobicContact CD1-CZ 3.65Å; L532-F536 HydrophobicContact CD2-CE1 4.43Å; L532-F536 HydrophobicContact CD2-CE2 4.11Å; L532-F536 HydrophobicContact CD2-CZ 3.69Å; L532-F536 HydrophobicContact CG-CD2 4.45Å; L532-F536 HydrophobicContact CG-CE1 3.9Å; L532-F536 HydrophobicContact CG-CE2 3.82Å; L532-F536 HydrophobicContact CG-CZ 3.51Å; L532-F536 WeakPolarHBondContact O-CG 3.47Å; L532-F536 PolarHBondContact O-N 3.44Å; L532-T542 HydrophobicContact CD1-CG2 4.38Å
533	L	94.5	Very high	95.4	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-42.1	174.7	-76.5	174.2	0	0	0	112.5	F433 M435 Y529 N530 A531 T535 F536 I537 L568 L571 Q572	F433-L533 HydrophobicContact CE2-CD1 4.16Å; F433-L533 HydrophobicContact CE2-CD2 4.02Å; F433-L533 HydrophobicContact CE2-CG 4.02Å; F433-L533 HydrophobicContact CZ-CD2 3.85Å; F433-L533 HydrophobicContact CZ-CG 4.1Å; M435-L533 HydrophobicContact CG-CD1 3.46Å; M435-L533 VanDerWaalsContact CG-CD1 3.46Å; Y529-L533 PolarHBondContact O-N 2.9Å; N530-L533 PolarHBondContact O-N 3.36Å; A531-L533 VanDerWaalsContact C-N 3.33Å; A531-L533 PolarHBondContact O-N 2.88Å; L533-T535 VanDerWaalsContact C-N 3.31Å; L533-T535 PolarHBondContact O-N 3.24Å; L533-F536 HydrophobicContact CD2-CD2 4.22Å; L533-F536 WeakPolarHBondContact O-CB 3.37Å; L533-F536 PolarHBondContact O-N 3.04Å; L533-I537 WeakPolarHBondContact O-CG1 3.49Å; L533-I537 PolarHBondContact O-N 3.02Å; L533-I537 VanDerWaalsContact O-N 3.12Å; L533-L568 HydrophobicContact CD2-CD2 4.11Å; L533-L571 HydrophobicContact CD2-CB 3.62Å; L533-L571 HydrophobicContact CD2-CD1 3.94Å; L533-L571 HydrophobicContact CD2-CG 4.46Å; L533-Q572 HydrophobicContact CD1-CB 4.35Å
534	R	93.8	Very high	95.6	Very high	161 Å²	161	50.6 Å²	50.6	61%	0.608	26%	0.263	S	S	*	.	H	α-helix	trans	-65.3	-36.6	175.2	-65.2	176	-178.4	-170.6	-0.8	111.9	N530 A531 L532 I537 S538	N530-R534 WeakPolarHBondContact O-CG 3.41Å; N530-R534 PolarHBondContact O-N 3.38Å; A531-R534 WeakPolarHBondContact O-CB 3.49Å; A531-R534 PolarHBondContact O-N 3.29Å; A531-R534 VanDerWaalsContact O-N 3.12Å; L532-R534 VanDerWaalsContact C-N 3.33Å; L532-R534 PolarHBondContact O-N 2.7Å; R534-I537 PolarHBondContact O-N 2.95Å; R534-S538 PolarHBondContact O-N 3.36Å; R534-S538 PolarHBondContact O-OG 3.44Å
535	T	96.1	Very high	95.7	Very high	54 Å²	54	55 Å²	55	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-45.7	172.2	-58.4	0	0	0	0	110.5	A531 L532 L533 I537 S538 D539 T542	A531-T535 PolarHBondContact O-N 3.01Å; A531-T535 PolarHBondContact O-OG1 2.95Å; L532-T535 CarbonylContact O-C 3.58Å; L532-T535 WeakPolarHBondContact O-CA 3.45Å; L532-T535 WeakPolarHBondContact O-CB 3.4Å; L532-T535 PolarHBondContact O-N 3.04Å; L532-T535 VanDerWaalsContact O-N 3.13Å; L533-T535 VanDerWaalsContact C-N 3.31Å; L533-T535 PolarHBondContact O-N 3.24Å; T535-I537 VanDerWaalsContact C-N 3.26Å; T535-I537 PolarHBondContact O-N 2.83Å; T535-S538 PolarHBondContact O-N 2.92Å; T535-S538 VanDerWaalsContact O-N 3.08Å; T535-S538 PolarHBondContact O-OG 3.12Å; T535-D539 HydrophobicContact CG2-CB 4.17Å; T535-D539 WeakPolarHBondContact O-CB 3.29Å; T535-D539 PolarHBondContact O-N 2.99Å; T535-T542 HydrophobicContact CG2-CG2 3.9Å
536	F	95.3	Very high	95.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-37.4	176.9	-66.5	-26	0	0	0	112.9	F433 Y519 L532 L533 S538 T542 F543 F546 K564 L568 L571	F433-F536 HydrophobicContact CE1-CE2 4.47Å; F433-F536 HydrophobicContact CZ-CE2 4.39Å; Y519-F536 HydrophobicContact CD1-CE1 4.43Å; Y519-F536 HydrophobicContact CE1-CE1 4.31Å; Y519-F536 HydrophobicContact CE1-CZ 4.22Å; L532-F536 HydrophobicContact CD1-CD1 4.15Å; L532-F536 HydrophobicContact CD1-CE1 3.52Å; L532-F536 HydrophobicContact CD1-CE2 4.38Å; L532-F536 HydrophobicContact CD1-CZ 3.65Å; L532-F536 HydrophobicContact CD2-CE1 4.43Å; L532-F536 HydrophobicContact CD2-CE2 4.11Å; L532-F536 HydrophobicContact CD2-CZ 3.69Å; L532-F536 HydrophobicContact CG-CD2 4.45Å; L532-F536 HydrophobicContact CG-CE1 3.9Å; L532-F536 HydrophobicContact CG-CE2 3.82Å; L532-F536 HydrophobicContact CG-CZ 3.51Å; L532-F536 WeakPolarHBondContact O-CG 3.47Å; L532-F536 PolarHBondContact O-N 3.44Å; L533-F536 HydrophobicContact CD2-CD2 4.22Å; L533-F536 WeakPolarHBondContact O-CB 3.37Å; L533-F536 PolarHBondContact O-N 3.04Å; F536-S538 VanDerWaalsContact C-N 3.33Å; F536-S538 PolarHBondContact O-N 3.5Å; F536-T542 HydrophobicContact CD1-CG2 3.91Å; F536-T542 HydrophobicContact CE1-CG2 3.79Å; F536-F543 HydrophobicContact CB-CB 4.25Å; F536-F543 HydrophobicContact CB-CD2 3.96Å; F536-F543 HydrophobicContact CD1-CB 4.26Å; F536-F543 HydrophobicContact CD1-CD2 4.48Å; F536-F543 HydrophobicContact CD2-CD2 4.45Å; F536-F543 HydrophobicContact CG-CB 4.49Å; F536-F543 HydrophobicContact CG-CD2 4.09Å; F536-F546 HydrophobicContact CD1-CB 4.4Å; F536-F546 HydrophobicContact CE1-CB 3.54Å; F536-F546 HydrophobicContact CE1-CG 4.13Å; F536-F546 HydrophobicContact CE2-CB 4.17Å; F536-F546 HydrophobicContact CE2-CD1 4.22Å; F536-F546 AromaticContact CE2-CD2 3.93Å; F536-F546 HydrophobicContact CE2-CD2 3.93Å; F536-F546 HydrophobicContact CE2-CE2 4.46Å; F536-F546 AromaticContact CE2-CG 3.81Å; F536-F546 HydrophobicContact CE2-CG 3.81Å; F536-F546 HydrophobicContact CZ-CB 3.4Å; F536-F546 VanDerWaalsContact CZ-CB 3.4Å; F536-F546 HydrophobicContact CZ-CD1 4.3Å; F536-F546 AromaticContact CZ-CD2 3.67Å; F536-F546 HydrophobicContact CZ-CD2 3.67Å; F536-F546 AromaticContact CZ-CG 3.51Å; F536-F546 HydrophobicContact CZ-CG 3.51Å; F536-K564 WeakPolarHBondContact O-CE 3.29Å; F536-K564 PolarHBondContact O-NZ 2.94Å; F536-L568 HydrophobicContact CB-CD2 3.56Å; F536-L568 HydrophobicContact CD2-CD2 3.83Å; F536-L568 HydrophobicContact CG-CD2 4.18Å; F536-L571 HydrophobicContact CD2-CD1 4.39Å; F536-L571 HydrophobicContact CE2-CD1 4.25Å
537	I	90.4	Very high	95.9	Very high	78 Å²	78	55.5 Å²	55.5	40%	0.4	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-43.3	176.3	-66.9	166.4	0	0	0	111.1	L533 R534 T535 K564 L568 F588	L533-I537 WeakPolarHBondContact O-CG1 3.49Å; L533-I537 PolarHBondContact O-N 3.02Å; L533-I537 VanDerWaalsContact O-N 3.12Å; R534-I537 PolarHBondContact O-N 2.95Å; T535-I537 VanDerWaalsContact C-N 3.26Å; T535-I537 PolarHBondContact O-N 2.83Å; I537-K564 PolarHBondContact O-NZ 3.05Å; I537-L568 HydrophobicContact CG1-CD1 3.78Å; I537-F588 HydrophobicContact CD1-CZ 4.47Å; I537-F588 HydrophobicContact CG1-CZ 4.36Å
538	S	92.9	Very high	96	Very high	102 Å²	102	57.2 Å²	57.2	71%	0.713	28%	0.279	S	S	*	.	H	α-helix	trans	-97.4	-18.1	-169.9	53.9	0	0	0	0	115.5	R534 T535 F536	R534-S538 PolarHBondContact O-N 3.36Å; R534-S538 PolarHBondContact O-OG 3.44Å; T535-S538 PolarHBondContact O-N 2.92Å; T535-S538 VanDerWaalsContact O-N 3.08Å; T535-S538 PolarHBondContact O-OG 3.12Å; F536-S538 VanDerWaalsContact C-N 3.33Å; F536-S538 PolarHBondContact O-N 3.5Å
539	D	95.7	Very high	96.1	Very high	60 Å²	60	56 Å²	56	32%	0.321	27%	0.272	S	S	.	.			trans	-127.2	98.1	-178.8	178.9	5.5	0	0	0	111	T535 R541 T542 F543	T535-D539 HydrophobicContact CG2-CB 4.17Å; T535-D539 WeakPolarHBondContact O-CB 3.29Å; T535-D539 PolarHBondContact O-N 2.99Å; D539-R541 PolarHBondContact O-N 3.45Å; D539-R541 VanDerWaalsContact OD1-CB 3.3Å; D539-R541 WeakPolarHBondContact OD1-CB 3.32Å; D539-R541 PolarHBondContact OD1-N 3.46Å; D539-T542 PolarHBondContact O-N 3.26Å; D539-T542 PolarHBondContact OD1-N 3.23Å; D539-T542 WeakPolarHBondContact OD2-CB 3.42Å; D539-T542 PolarHBondContact OD2-OG1 3.33Å; D539-F543 PolarHBondContact O-N 2.88Å; D539-F543 VanDerWaalsContact O-N 3.08Å
540	D	95.2	Very high	96.3	Very high	99 Å²	99	57.3 Å²	57.3	53%	0.529	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-31.1	177.5	-72.9	-31.4	0	0	0	112.9	T542 F543 Q544 K564	D540-T542 VanDerWaalsContact C-N 3.35Å; D540-T542 PolarHBondContact O-N 2.99Å; D540-F543 PolarHBondContact O-N 3.48Å; D540-Q544 WeakPolarHBondContact O-CG 3.33Å; D540-Q544 PolarHBondContact O-N 3.23Å; D540-K564 IonicContact OD1-NZ 3.9Å; D540-K564 PolarHBondContact OD1-NZ 3.09Å
541	R	96.6	Very high	96.4	Very high	213 Å²	213	57.9 Å²	57.9	80%	0.804	28%	0.279	S	S	*	.	H	α-helix	trans	-66.5	-43	179.9	-174.7	-177	180	-171.4	0.1	110.6	D539 Q544 K545	D539-R541 PolarHBondContact O-N 3.45Å; D539-R541 VanDerWaalsContact OD1-CB 3.3Å; D539-R541 WeakPolarHBondContact OD1-CB 3.32Å; D539-R541 PolarHBondContact OD1-N 3.46Å; R541-Q544 PolarHBondContact O-N 3.34Å; R541-K545 PolarHBondContact O-N 3.1Å
542	T	96.9	Very high	96.5	Very high	32 Å²	32	55.6 Å²	55.6	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-37.7	176.6	-64.4	0	0	0	0	111.1	L532 T535 F536 D539 D540 K545 F546	L532-T542 HydrophobicContact CD1-CG2 4.38Å; T535-T542 HydrophobicContact CG2-CG2 3.9Å; F536-T542 HydrophobicContact CD1-CG2 3.91Å; F536-T542 HydrophobicContact CE1-CG2 3.79Å; D539-T542 PolarHBondContact O-N 3.26Å; D539-T542 PolarHBondContact OD1-N 3.23Å; D539-T542 WeakPolarHBondContact OD2-CB 3.42Å; D539-T542 PolarHBondContact OD2-OG1 3.33Å; D540-T542 VanDerWaalsContact C-N 3.35Å; D540-T542 PolarHBondContact O-N 2.99Å; T542-K545 PolarHBondContact O-N 2.78Å; T542-F546 PolarHBondContact O-N 2.86Å
543	F	97.8	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-44.4	172.4	-179.9	-99.9	0	0	0	113.2	F536 D539 D540 K545 F546 W547 C559 K564 T567 L568	F536-F543 HydrophobicContact CB-CB 4.25Å; F536-F543 HydrophobicContact CB-CD2 3.96Å; F536-F543 HydrophobicContact CD1-CB 4.26Å; F536-F543 HydrophobicContact CD1-CD2 4.48Å; F536-F543 HydrophobicContact CD2-CD2 4.45Å; F536-F543 HydrophobicContact CG-CB 4.49Å; F536-F543 HydrophobicContact CG-CD2 4.09Å; D539-F543 PolarHBondContact O-N 2.88Å; D539-F543 VanDerWaalsContact O-N 3.08Å; D540-F543 PolarHBondContact O-N 3.48Å; F543-K545 VanDerWaalsContact C-N 3.27Å; F543-K545 PolarHBondContact O-N 2.91Å; F543-F546 HydrophobicContact CD2-CD1 4.15Å; F543-F546 AromaticContact CE2-CD1 3.97Å; F543-F546 HydrophobicContact CE2-CD1 3.97Å; F543-F546 HydrophobicContact CE2-CE1 4.32Å; F543-F546 CarbonylContact O-C 3.53Å; F543-F546 WeakPolarHBondContact O-CA 3.43Å; F543-F546 WeakPolarHBondContact O-CB 3.46Å; F543-F546 PolarHBondContact O-N 3.26Å; F543-F546 VanDerWaalsContact O-N 3.09Å; F543-W547 PolarHBondContact O-N 3.02Å; F543-C559 HydrophobicContact CE1-CB 4.01Å; F543-C559 WeakPolarHBondContact CE1-O 3.45Å; F543-K564 HydrophobicContact CD1-CB 4.26Å; F543-K564 HydrophobicContact CD1-CD 3.81Å; F543-K564 HydrophobicContact CD1-CG 3.8Å; F543-K564 HydrophobicContact CD2-CG 4.16Å; F543-K564 HydrophobicContact CE1-CB 3.66Å; F543-K564 HydrophobicContact CE1-CD 4.1Å; F543-K564 HydrophobicContact CE1-CG 3.59Å; F543-K564 HydrophobicContact CE2-CG 3.95Å; F543-K564 HydrophobicContact CG-CD 4.08Å; F543-K564 HydrophobicContact CG-CG 4.09Å; F543-K564 HydrophobicContact CZ-CB 3.85Å; F543-K564 HydrophobicContact CZ-CG 3.68Å; F543-T567 HydrophobicContact CE2-CG2 4.08Å; F543-T567 HydrophobicContact CZ-CG2 4.17Å; F543-L568 HydrophobicContact CD2-CD2 4.24Å; F543-L568 HydrophobicContact CE2-CD2 4.18Å; F543-L568 HydrophobicContact CE2-CG 4.32Å
544	Q	97.9	Very high	96.7	Very high	50 Å²	50	57.8 Å²	57.8	23%	0.234	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-33.6	177	-68.6	-51.3	-37	0	0	111.8	D540 R541 W547 Y548 C559	D540-Q544 WeakPolarHBondContact O-CG 3.33Å; D540-Q544 PolarHBondContact O-N 3.23Å; R541-Q544 PolarHBondContact O-N 3.34Å; Q544-W547 PolarHBondContact O-N 3.26Å; Q544-Y548 PolarHBondContact O-N 3.4Å; Q544-C559 PolarHBondContact NE2-O 3.32Å
545	K	98.3	Very high	96.6	Very high	96 Å²	96	52.6 Å²	52.6	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-47.3	170.4	-174.6	178.9	-177.4	178.6	0	110.8	A518 R541 T542 F543 W547 Y548 L549	A518-K545 WeakPolarHBondContact O-CE 3.48Å; A518-K545 PolarHBondContact O-NZ 2.91Å; R541-K545 PolarHBondContact O-N 3.1Å; T542-K545 PolarHBondContact O-N 2.78Å; F543-K545 VanDerWaalsContact C-N 3.27Å; F543-K545 PolarHBondContact O-N 2.91Å; K545-W547 VanDerWaalsContact C-N 3.33Å; K545-W547 PolarHBondContact O-N 2.98Å; K545-Y548 PolarHBondContact O-N 3.29Å; K545-L549 HydrophobicContact CG-CD1 4.23Å; K545-L549 VanDerWaalsContact O-CG 3.29Å; K545-L549 WeakPolarHBondContact O-CG 3.29Å; K545-L549 PolarHBondContact O-N 3.01Å; K545-L549 VanDerWaalsContact O-N 3.09Å
546	F	98.4	Very high	96	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-45.2	172.7	164.5	-95.4	0	0	0	111.7	F433 Y519 F536 T542 F543 Y548 L549 R550 T567 L571	F433-F546 HydrophobicContact CE1-CE2 4.26Å; Y519-F546 HydrophobicContact CE1-CB 4Å; Y519-F546 WeakPolarHBondContact OH-CD2 3.44Å; F536-F546 HydrophobicContact CD1-CB 4.4Å; F536-F546 HydrophobicContact CE1-CB 3.54Å; F536-F546 HydrophobicContact CE1-CG 4.13Å; F536-F546 HydrophobicContact CE2-CB 4.17Å; F536-F546 HydrophobicContact CE2-CD1 4.22Å; F536-F546 AromaticContact CE2-CD2 3.93Å; F536-F546 HydrophobicContact CE2-CD2 3.93Å; F536-F546 HydrophobicContact CE2-CE2 4.46Å; F536-F546 AromaticContact CE2-CG 3.81Å; F536-F546 HydrophobicContact CE2-CG 3.81Å; F536-F546 HydrophobicContact CZ-CB 3.4Å; F536-F546 VanDerWaalsContact CZ-CB 3.4Å; F536-F546 HydrophobicContact CZ-CD1 4.3Å; F536-F546 AromaticContact CZ-CD2 3.67Å; F536-F546 HydrophobicContact CZ-CD2 3.67Å; F536-F546 AromaticContact CZ-CG 3.51Å; F536-F546 HydrophobicContact CZ-CG 3.51Å; T542-F546 PolarHBondContact O-N 2.86Å; F543-F546 HydrophobicContact CD2-CD1 4.15Å; F543-F546 AromaticContact CE2-CD1 3.97Å; F543-F546 HydrophobicContact CE2-CD1 3.97Å; F543-F546 HydrophobicContact CE2-CE1 4.32Å; F543-F546 CarbonylContact O-C 3.53Å; F543-F546 WeakPolarHBondContact O-CA 3.43Å; F543-F546 WeakPolarHBondContact O-CB 3.46Å; F543-F546 PolarHBondContact O-N 3.26Å; F543-F546 VanDerWaalsContact O-N 3.09Å; F546-Y548 VanDerWaalsContact C-N 3.34Å; F546-Y548 PolarHBondContact O-N 3.07Å; F546-L549 CarbonylContact O-C 3.54Å; F546-L549 PolarHBondContact O-N 3.31Å; F546-L549 VanDerWaalsContact O-N 3.12Å; F546-R550 HydrophobicContact CE1-CB 4.33Å; F546-R550 HydrophobicContact CZ-CB 4.2Å; F546-R550 HydrophobicContact CZ-CG 4.29Å; F546-R550 VanDerWaalsContact O-CB 3.29Å; F546-R550 WeakPolarHBondContact O-CB 3.46Å; F546-R550 PolarHBondContact O-N 2.89Å; F546-T567 HydrophobicContact CE1-CG2 3.76Å; F546-L571 HydrophobicContact CE1-CD1 3.81Å; F546-L571 HydrophobicContact CE2-CD1 4.25Å; F546-L571 HydrophobicContact CZ-CD1 3.6Å; F546-L571 HydrophobicContact CZ-CD2 4Å; F546-L571 HydrophobicContact CZ-CG 4.35Å
547	W	98.3	Very high	95.8	Very high	33 Å²	33	62 Å²	62	13%	0.125	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-42.4	178.7	-177.8	-112.5	0	0	0	113	F543 Q544 K545 R550 H551 E557 C559	F543-W547 PolarHBondContact O-N 3.02Å; Q544-W547 PolarHBondContact O-N 3.26Å; K545-W547 VanDerWaalsContact C-N 3.33Å; K545-W547 PolarHBondContact O-N 2.98Å; W547-R550 WeakPolarHBondContact O-CB 3.42Å; W547-H551 AromaticContact CD2-CE1 3.54Å; W547-H551 AromaticContact CD2-ND1 3.89Å; W547-H551 AromaticContact CE2-CE1 3.35Å; W547-H551 AromaticContact CE2-ND1 3.84Å; W547-H551 AromaticContact CE3-CE1 3.57Å; W547-H551 AromaticContact CH2-CE1 3.29Å; W547-H551 WeakPolarHBondContact CH2-CE1 3.43Å; W547-H551 AromaticContact CH2-NE2 3.74Å; W547-H551 AromaticContact CZ2-CE1 3.22Å; W547-H551 WeakPolarHBondContact CZ2-CE1 3.36Å; W547-H551 AromaticContact CZ2-NE2 3.74Å; W547-H551 AromaticContact CZ3-CE1 3.46Å; W547-H551 VanDerWaalsContact CZ3-CE1 3.46Å; W547-H551 WeakPolarHBondContact CZ3-CE1 3.49Å; W547-H551 PolarHBondContact O-N 3.16Å; W547-H551 PolarHBondContact O-ND1 2.71Å; W547-E557 PolarHBondContact NE1-O 3.46Å; W547-C559 HydrophobicContact CD2-CB 3.32Å; W547-C559 HydrophobicContact CE3-CB 3.62Å; W547-C559 HydrophobicContact CG-CB 3.76Å; W547-C559 HydrophobicContact CH2-CB 3.94Å; W547-C559 HydrophobicContact CZ2-CB 3.69Å; W547-C559 HydrophobicContact CZ3-CB 3.91Å; W547-C559 VanDerWaalsContact CZ3-SG 3.59Å
548	Y	98.6	Very high	95.9	Very high	107 Å²	107	62.4 Å²	62.4	42%	0.42	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-45.7	173.6	174.7	-97.8	0	0	0	112.1	L512 Q544 K545 F546 H551 G553 V555	L512-Y548 HydrophobicContact CD1-CE1 4Å; Q544-Y548 PolarHBondContact O-N 3.4Å; K545-Y548 PolarHBondContact O-N 3.29Å; F546-Y548 VanDerWaalsContact C-N 3.34Å; F546-Y548 PolarHBondContact O-N 3.07Å; Y548-H551 PolarHBondContact O-N 3.04Å; Y548-G553 VanDerWaalsContact CE2-C 3.48Å; Y548-G553 VanDerWaalsContact CE2-CA 3.47Å; Y548-G553 WeakPolarHBondContact CE2-O 3.5Å; Y548-G553 WeakPolarHBondContact O-CA 3.34Å; Y548-G553 PolarHBondContact O-N 3.17Å; Y548-G553 PolarHBondContact OH-O 3.49Å; Y548-V555 HydrophobicContact CD2-CG2 4.03Å
549	L	98.6	Very high	96	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-38.1	179.5	-63.1	175.7	0	0	0	112.1	L512 Y513 A518 Y519 K545 F546 H551 K552	L512-L549 HydrophobicContact CD1-CD2 4.11Å; L512-L549 HydrophobicContact CD2-CD2 3.98Å; L512-L549 HydrophobicContact CG-CD2 3.72Å; Y513-L549 HydrophobicContact CD1-CB 4.32Å; Y513-L549 HydrophobicContact CD1-CD1 4.13Å; Y513-L549 HydrophobicContact CD1-CD2 3.67Å; Y513-L549 HydrophobicContact CD1-CG 4.24Å; Y513-L549 HydrophobicContact CD2-CD1 3.89Å; Y513-L549 HydrophobicContact CE1-CB 4.1Å; Y513-L549 HydrophobicContact CE1-CD1 4.4Å; Y513-L549 HydrophobicContact CE1-CD2 4.31Å; Y513-L549 HydrophobicContact CE1-CG 4.49Å; Y513-L549 HydrophobicContact CE2-CD1 4.2Å; Y513-L549 HydrophobicContact CG-CD1 3.84Å; Y513-L549 HydrophobicContact CG-CD2 3.9Å; Y513-L549 HydrophobicContact CG-CG 4.39Å; A518-L549 HydrophobicContact CB-CD1 4.09Å; Y519-L549 HydrophobicContact CE1-CD1 4.22Å; Y519-L549 WeakPolarHBondContact OH-CD1 3.2Å; K545-L549 HydrophobicContact CG-CD1 4.23Å; K545-L549 VanDerWaalsContact O-CG 3.29Å; K545-L549 WeakPolarHBondContact O-CG 3.29Å; K545-L549 PolarHBondContact O-N 3.01Å; K545-L549 VanDerWaalsContact O-N 3.09Å; F546-L549 CarbonylContact O-C 3.54Å; F546-L549 PolarHBondContact O-N 3.31Å; F546-L549 VanDerWaalsContact O-N 3.12Å; L549-H551 PolarHBondContact O-N 2.96Å; L549-K552 PolarHBondContact O-N 3.46Å
550	R	98.3	Very high	95.7	Very high	31 Å²	31	60.8 Å²	60.8	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-51.1	-38.9	174.3	-176.3	176.7	178.4	-84	-0.7	112.2	L430 D431 E432 F546 W547	L430-R550 HydrophobicContact CB-CG 4.06Å; L430-R550 VanDerWaalsContact CD1-CZ 3.47Å; D431-R550 PolarHBondContact N-O 3.26Å; E432-R550 HydrophobicContact CG-CG 4Å; E432-R550 IonicContact OE1-CZ 3.25Å; E432-R550 IonicContact OE1-NE 3.34Å; E432-R550 PolarHBondContact OE1-NE 3.32Å; E432-R550 IonicContact OE1-NH2 3.08Å; E432-R550 PolarHBondContact OE1-NH2 3.3Å; E432-R550 IonicContact OE2-NH2 3.36Å; F546-R550 HydrophobicContact CE1-CB 4.33Å; F546-R550 HydrophobicContact CZ-CB 4.2Å; F546-R550 HydrophobicContact CZ-CG 4.29Å; F546-R550 VanDerWaalsContact O-CB 3.29Å; F546-R550 WeakPolarHBondContact O-CB 3.46Å; F546-R550 PolarHBondContact O-N 2.89Å; W547-R550 WeakPolarHBondContact O-CB 3.42Å
551	H	98.6	Very high	95.5	Very high	30 Å²	30	62.8 Å²	62.8	14%	0.139	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	26.5	179.5	-60	80	0	0	0	113.4	L461 W547 Y548 L549 G553 H554 V555	L461-H551 HydrophobicContact CD2-CB 3.77Å; W547-H551 AromaticContact CD2-CE1 3.54Å; W547-H551 AromaticContact CD2-ND1 3.89Å; W547-H551 AromaticContact CE2-CE1 3.35Å; W547-H551 AromaticContact CE2-ND1 3.84Å; W547-H551 AromaticContact CE3-CE1 3.57Å; W547-H551 AromaticContact CH2-CE1 3.29Å; W547-H551 WeakPolarHBondContact CH2-CE1 3.43Å; W547-H551 AromaticContact CH2-NE2 3.74Å; W547-H551 AromaticContact CZ2-CE1 3.22Å; W547-H551 WeakPolarHBondContact CZ2-CE1 3.36Å; W547-H551 AromaticContact CZ2-NE2 3.74Å; W547-H551 AromaticContact CZ3-CE1 3.46Å; W547-H551 VanDerWaalsContact CZ3-CE1 3.46Å; W547-H551 WeakPolarHBondContact CZ3-CE1 3.49Å; W547-H551 PolarHBondContact O-N 3.16Å; W547-H551 PolarHBondContact O-ND1 2.71Å; Y548-H551 PolarHBondContact O-N 3.04Å; L549-H551 PolarHBondContact O-N 2.96Å; H551-G553 PolarHBondContact O-N 3.4Å; H551-G553 VanDerWaalsContact O-N 3.11Å; H551-H554 VanDerWaalsContact CB-O 3.27Å; H551-H554 WeakPolarHBondContact CB-O 3.15Å; H551-H554 PolarHBondContact O-N 2.68Å; H551-V555 HydrophobicContact CB-CG1 3.63Å
552	K	98.6	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	37.2	178.4	-69.1	179.2	-86.5	171.2	0	112.6	P453 S454 T456 N462 I488 L549 H554	P453-K552 HydrophobicContact CB-CD 3.67Å; P453-K552 HydrophobicContact CB-CG 3.72Å; P453-K552 HydrophobicContact CG-CD 4.16Å; P453-K552 HydrophobicContact CG-CG 4.08Å; S454-K552 PolarHBondContact O-NZ 3.41Å; S454-K552 PolarHBondContact OG-NZ 2.88Å; T456-K552 PolarHBondContact O-NZ 3.1Å; N462-K552 HydrophobicContact CB-CB 4.09Å; N462-K552 PolarHBondContact ND2-O 3.29Å; N462-K552 WeakPolarHBondContact O-CD 3.27Å; N462-K552 WeakPolarHBondContact O-CE 3.34Å; N462-K552 PolarHBondContact O-NZ 2.03Å; I488-K552 WeakPolarHBondContact CD1-O 3.3Å; I488-K552 HydrophobicContact CG2-CB 3.85Å; I488-K552 HydrophobicContact CG2-CG 4.17Å; L549-K552 PolarHBondContact O-N 3.46Å; K552-H554 VanDerWaalsContact C-N 3.32Å; K552-H554 PolarHBondContact O-N 3.22Å
553	G	97.6	Very high	94.8	Very high	13 Å²	13	54.3 Å²	54.3	13%	0.134	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	12.8	178.6	0	0	0	0	0	115.6	Y548 H551	Y548-G553 VanDerWaalsContact CE2-C 3.48Å; Y548-G553 VanDerWaalsContact CE2-CA 3.47Å; Y548-G553 WeakPolarHBondContact CE2-O 3.5Å; Y548-G553 WeakPolarHBondContact O-CA 3.34Å; Y548-G553 PolarHBondContact O-N 3.17Å; Y548-G553 PolarHBondContact OH-O 3.49Å; H551-G553 PolarHBondContact O-N 3.4Å; H551-G553 VanDerWaalsContact O-N 3.11Å
554	H	96.9	Very high	94.6	Very high	44 Å²	44	55.2 Å²	55.2	20%	0.204	28%	0.284	C	S	.	.			trans	-124.6	97	177.4	-172.1	-99.6	0	0	0	111	Y216 N460 H551 K552	Y216-H554 AromaticContact CD1-CE1 3.68Å; Y216-H554 AromaticContact CD1-CG 3.88Å; Y216-H554 AromaticContact CD1-ND1 3.67Å; Y216-H554 AromaticContact CD1-NE2 3.92Å; Y216-H554 AromaticContact CD2-CE1 3.98Å; Y216-H554 AromaticContact CD2-NE2 3.62Å; Y216-H554 HydrophobicContact CE1-CB 4.07Å; Y216-H554 AromaticContact CE1-CD2 3.64Å; Y216-H554 AromaticContact CE1-CG 3.6Å; Y216-H554 AromaticContact CE1-ND1 3.9Å; Y216-H554 AromaticContact CE1-NE2 3.98Å; Y216-H554 AromaticContact CE2-CD2 3.79Å; Y216-H554 AromaticContact CE2-NE2 3.68Å; Y216-H554 AromaticContact CG-CE1 3.6Å; Y216-H554 AromaticContact CG-NE2 3.72Å; Y216-H554 AromaticContact CZ-CD2 3.48Å; Y216-H554 VanDerWaalsContact CZ-CD2 3.48Å; Y216-H554 AromaticContact CZ-CG 3.94Å; Y216-H554 AromaticContact CZ-NE2 3.83Å; N460-H554 PolarHBondContact O-ND1 2.95Å; N460-H554 PolarHBondContact OD1-CE1 3.28Å; H551-H554 VanDerWaalsContact CB-O 3.27Å; H551-H554 WeakPolarHBondContact CB-O 3.15Å; H551-H554 PolarHBondContact O-N 2.68Å; K552-H554 VanDerWaalsContact C-N 3.32Å; K552-H554 PolarHBondContact O-N 3.22Å
555	V	92.3	Very high	94.1	Very high	53 Å²	53	54 Å²	54	32%	0.321	28%	0.28	S	S	.	.			trans	-122.4	141.1	177.7	-66.5	0	0	0	0	110.1	Y548 H551	Y548-V555 HydrophobicContact CD2-CG2 4.03Å; H551-V555 HydrophobicContact CB-CG1 3.63Å
556	S	83.1	Confident	93.7	Very high	106 Å²	106	51.8 Å²	51.8	74%	0.741	28%	0.28	S	S	*	.	S	Bend	trans	-92	-35	174.5	52.3	0	0	0	0	112.8
557	E	89.9	Confident	93.5	Very high	145 Å²	145	52.1 Å²	52.1	68%	0.678	28%	0.282	S	S	*	.	S	Bend	trans	-140.7	150.2	-175.3	-63.9	-163.1	179.9	0	0	111.9	W547	W547-E557 PolarHBondContact NE1-O 3.46Å
558	P	93.8	Very high	93.3	Very high	86 Å²	86	50.7 Å²	50.7	56%	0.558	28%	0.277	S	S	*	.			trans	-66.3	149.3	172.1	29.5	-34.6	0	0	0	111
559	C	94.2	Very high	92.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	26%	0.26	C	S	.	.			trans	-102.5	110.5	177.7	175.4	0	0	0	0	110.2	F543 Q544 W547 C563 K564	F543-C559 HydrophobicContact CE1-CB 4.01Å; F543-C559 WeakPolarHBondContact CE1-O 3.45Å; Q544-C559 PolarHBondContact NE2-O 3.32Å; W547-C559 HydrophobicContact CD2-CB 3.32Å; W547-C559 HydrophobicContact CE3-CB 3.62Å; W547-C559 HydrophobicContact CG-CB 3.76Å; W547-C559 HydrophobicContact CH2-CB 3.94Å; W547-C559 HydrophobicContact CZ2-CB 3.69Å; W547-C559 HydrophobicContact CZ3-CB 3.91Å; W547-C559 VanDerWaalsContact CZ3-SG 3.59Å; C559-C563 HydrophobicContact CB-CB 4.07Å; C559-C563 WeakPolarHBondContact CB-SG 3.31Å; C559-C563 WeakPolarHBondContact SG-CB 3.12Å; C559-C563 CovalentContact SG-SG 2.03Å; C559-C563 PolarHBondContact SG-SG 3.44Å; C559-K564 PolarHBondContact SG-N 3.37Å
560	E	90.9	Very high	92.7	Very high	126 Å²	126	47 Å²	47	59%	0.589	26%	0.264	S	S	*	.			trans	-124.4	167.3	-175.6	-62.3	-179.1	176	0	0	110.9	A562 C563 K564	E560-A562 PolarHBondContact O-N 3.38Å; E560-C563 WeakPolarHBondContact O-CB 3.49Å; E560-C563 PolarHBondContact O-N 2.95Å; E560-K564 PolarHBondContact O-N 2.99Å
561	E	89	Confident	92.6	Very high	142 Å²	142	45.5 Å²	45.5	66%	0.664	26%	0.258	S	S	*	.	H	α-helix	trans	45.1	-108.5	172.6	-57.8	-173.6	169.7	0	0	114.7	C563 K564 T565	E561-C563 PolarHBondContact O-N 3.42Å; E561-K564 PolarHBondContact O-N 3.03Å; E561-T565 WeakPolarHBondContact O-CB 3.33Å; E561-T565 PolarHBondContact O-N 2.88Å; E561-T565 PolarHBondContact O-OG1 3.2Å
562	A	87.9	Confident	92.3	Very high	19 Å²	19	46.7 Å²	46.7	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-37.5	-178	0	0	0	0	0	112.4	E560 T565 A566	E560-A562 PolarHBondContact O-N 3.38Å; A562-T565 PolarHBondContact O-N 3.41Å; A562-A566 WeakPolarHBondContact O-CB 3.35Å; A562-A566 PolarHBondContact O-N 3.25Å
563	C	91.6	Very high	91.9	Very high	47 Å²	47	46.8 Å²	46.8	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-47.4	175.7	174.9	0	0	0	0	110.4	C559 E560 E561 T565 A566 T567	C559-C563 HydrophobicContact CB-CB 4.07Å; C559-C563 WeakPolarHBondContact CB-SG 3.31Å; C559-C563 WeakPolarHBondContact SG-CB 3.12Å; C559-C563 CovalentContact SG-SG 2.03Å; C559-C563 PolarHBondContact SG-SG 3.44Å; E560-C563 WeakPolarHBondContact O-CB 3.49Å; E560-C563 PolarHBondContact O-N 2.95Å; E561-C563 PolarHBondContact O-N 3.42Å; C563-T565 VanDerWaalsContact C-N 3.35Å; C563-T565 PolarHBondContact O-N 3.39Å; C563-A566 PolarHBondContact O-N 3.08Å; C563-T567 WeakPolarHBondContact O-CB 3.29Å; C563-T567 PolarHBondContact O-N 3.13Å; C563-T567 PolarHBondContact O-OG1 2.85Å
564	K	92.8	Very high	91.7	Very high	20 Å²	20	46.2 Å²	46.2	9%	0.087	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-45.8	177.7	177.2	177	-178.6	-170.1	0	110.9	F536 I537 D540 F543 C559 E560 E561 T567 L568	F536-K564 WeakPolarHBondContact O-CE 3.29Å; F536-K564 PolarHBondContact O-NZ 2.94Å; I537-K564 PolarHBondContact O-NZ 3.05Å; D540-K564 IonicContact OD1-NZ 3.9Å; D540-K564 PolarHBondContact OD1-NZ 3.09Å; F543-K564 HydrophobicContact CD1-CB 4.26Å; F543-K564 HydrophobicContact CD1-CD 3.81Å; F543-K564 HydrophobicContact CD1-CG 3.8Å; F543-K564 HydrophobicContact CD2-CG 4.16Å; F543-K564 HydrophobicContact CE1-CB 3.66Å; F543-K564 HydrophobicContact CE1-CD 4.1Å; F543-K564 HydrophobicContact CE1-CG 3.59Å; F543-K564 HydrophobicContact CE2-CG 3.95Å; F543-K564 HydrophobicContact CG-CD 4.08Å; F543-K564 HydrophobicContact CG-CG 4.09Å; F543-K564 HydrophobicContact CZ-CB 3.85Å; F543-K564 HydrophobicContact CZ-CG 3.68Å; C559-K564 PolarHBondContact SG-N 3.37Å; E560-K564 PolarHBondContact O-N 2.99Å; E561-K564 PolarHBondContact O-N 3.03Å; K564-T567 PolarHBondContact O-N 3.36Å; K564-L568 HydrophobicContact CG-CD1 3.91Å; K564-L568 HydrophobicContact CG-CG 4.38Å; K564-L568 VanDerWaalsContact O-CG 3.29Å; K564-L568 WeakPolarHBondContact O-CG 3.42Å; K564-L568 PolarHBondContact O-N 3.1Å
565	T	88.9	Confident	91.6	Very high	23 Å²	23	45.5 Å²	45.5	14%	0.141	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-52.1	178.9	-55.3	0	0	0	0	111	E561 A562 C563 T567 L568 C569 F588	E561-T565 WeakPolarHBondContact O-CB 3.33Å; E561-T565 PolarHBondContact O-N 2.88Å; E561-T565 PolarHBondContact O-OG1 3.2Å; A562-T565 PolarHBondContact O-N 3.41Å; C563-T565 VanDerWaalsContact C-N 3.35Å; C563-T565 PolarHBondContact O-N 3.39Å; T565-T567 VanDerWaalsContact C-N 3.29Å; T565-T567 PolarHBondContact O-N 2.92Å; T565-L568 PolarHBondContact O-N 3.24Å; T565-C569 WeakPolarHBondContact O-CB 3.36Å; T565-C569 PolarHBondContact O-N 2.95Å; T565-C569 PolarHBondContact O-SG 3.5Å; T565-F588 HydrophobicContact CG2-CB 4.3Å; T565-F588 HydrophobicContact CG2-CD1 3.85Å; T565-F588 HydrophobicContact CG2-CD2 4.16Å; T565-F588 HydrophobicContact CG2-CE1 4.2Å; T565-F588 HydrophobicContact CG2-CE2 4.49Å; T565-F588 HydrophobicContact CG2-CG 3.83Å
566	A	89.8	Confident	91.4	Very high	51 Å²	51	43.1 Å²	43.1	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-39.7	178.6	0	0	0	0	0	112.5	A562 C563 C569 F570	A562-A566 WeakPolarHBondContact O-CB 3.35Å; A562-A566 PolarHBondContact O-N 3.25Å; C563-A566 PolarHBondContact O-N 3.08Å; A566-C569 WeakPolarHBondContact O-CB 3.48Å; A566-C569 PolarHBondContact O-N 3.03Å; A566-F570 PolarHBondContact O-N 3.36Å
567	T	94.1	Very high	91.4	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-48.3	176.1	-56.5	0	0	0	0	111.2	F543 F546 C563 K564 T565 C569 F570 L571	F543-T567 HydrophobicContact CE2-CG2 4.08Å; F543-T567 HydrophobicContact CZ-CG2 4.17Å; F546-T567 HydrophobicContact CE1-CG2 3.76Å; C563-T567 WeakPolarHBondContact O-CB 3.29Å; C563-T567 PolarHBondContact O-N 3.13Å; C563-T567 PolarHBondContact O-OG1 2.85Å; K564-T567 PolarHBondContact O-N 3.36Å; T565-T567 VanDerWaalsContact C-N 3.29Å; T565-T567 PolarHBondContact O-N 2.92Å; T567-C569 VanDerWaalsContact C-N 3.32Å; T567-C569 PolarHBondContact O-N 3.02Å; T567-F570 WeakPolarHBondContact O-CB 3.43Å; T567-F570 PolarHBondContact O-N 2.75Å; T567-F570 VanDerWaalsContact O-N 3.16Å; T567-L571 HydrophobicContact CG2-CD1 4.34Å; T567-L571 WeakPolarHBondContact O-CG 3.36Å; T567-L571 PolarHBondContact O-N 3.08Å
568	L	93.7	Very high	90.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-36.9	179.2	-67	174.8	0	0	0	112.3	L533 F536 I537 F543 K564 T565 F570 L571 Q572 F588	L533-L568 HydrophobicContact CD2-CD2 4.11Å; F536-L568 HydrophobicContact CB-CD2 3.56Å; F536-L568 HydrophobicContact CD2-CD2 3.83Å; F536-L568 HydrophobicContact CG-CD2 4.18Å; I537-L568 HydrophobicContact CG1-CD1 3.78Å; F543-L568 HydrophobicContact CD2-CD2 4.24Å; F543-L568 HydrophobicContact CE2-CD2 4.18Å; F543-L568 HydrophobicContact CE2-CG 4.32Å; K564-L568 HydrophobicContact CG-CD1 3.91Å; K564-L568 HydrophobicContact CG-CG 4.38Å; K564-L568 VanDerWaalsContact O-CG 3.29Å; K564-L568 WeakPolarHBondContact O-CG 3.42Å; K564-L568 PolarHBondContact O-N 3.1Å; T565-L568 PolarHBondContact O-N 3.24Å; L568-F570 VanDerWaalsContact C-N 3.33Å; L568-F570 PolarHBondContact O-N 3.44Å; L568-L571 HydrophobicContact CD2-CD1 4.44Å; L568-L571 PolarHBondContact O-N 3.18Å; L568-Q572 WeakPolarHBondContact O-CB 3.17Å; L568-Q572 PolarHBondContact O-N 3.22Å; L568-F588 HydrophobicContact CB-CZ 4.2Å; L568-F588 HydrophobicContact CD1-CE1 4.01Å; L568-F588 HydrophobicContact CD1-CZ 4.09Å
569	C	91.4	Very high	90	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-57.7	-46.9	171.5	-69.6	0	0	0	0	111.6	T565 A566 T567 L571 Q572 S573 C582	T565-C569 WeakPolarHBondContact O-CB 3.36Å; T565-C569 PolarHBondContact O-N 2.95Å; T565-C569 PolarHBondContact O-SG 3.5Å; A566-C569 WeakPolarHBondContact O-CB 3.48Å; A566-C569 PolarHBondContact O-N 3.03Å; T567-C569 VanDerWaalsContact C-N 3.32Å; T567-C569 PolarHBondContact O-N 3.02Å; C569-L571 PolarHBondContact O-N 3.15Å; C569-Q572 PolarHBondContact O-N 3.23Å; C569-S573 VanDerWaalsContact O-CB 3.27Å; C569-S573 WeakPolarHBondContact O-CB 3.39Å; C569-S573 PolarHBondContact O-N 2.86Å; C569-S573 PolarHBondContact O-OG 3.2Å; C569-C582 WeakPolarHBondContact CA-SG 3.5Å; C569-C582 HydrophobicContact CB-CB 3.54Å; C569-C582 WeakPolarHBondContact CB-SG 3.45Å; C569-C582 WeakPolarHBondContact SG-CB 3.4Å; C569-C582 CovalentContact SG-SG 2.01Å; C569-C582 PolarHBondContact SG-SG 3.02Å
570	F	93.9	Very high	88.7	Confident	24 Å²	24	35.2 Å²	35.2	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-48.2	176.2	-179.5	-96.5	0	0	0	112.1	P397 L400 T428 E432 Q434 I451 A566 T567 L568 Q572 S573 L579	P397-F570 HydrophobicContact CG-CZ 4.48Å; L400-F570 HydrophobicContact CD1-CE2 4.38Å; L400-F570 HydrophobicContact CD2-CE2 3.86Å; L400-F570 HydrophobicContact CG-CE2 4.08Å; T428-F570 HydrophobicContact CG2-CZ 4Å; E432-F570 HydrophobicContact CB-CE1 4.07Å; E432-F570 HydrophobicContact CG-CE1 4.42Å; E432-F570 WeakPolarHBondContact OE2-CE1 3.3Å; Q434-F570 HydrophobicContact CG-CE1 4.42Å; Q434-F570 HydrophobicContact CG-CZ 4.4Å; Q434-F570 VanDerWaalsContact NE2-CE2 3.34Å; I451-F570 HydrophobicContact CD1-CE1 3.77Å; I451-F570 HydrophobicContact CD1-CZ 3.76Å; A566-F570 PolarHBondContact O-N 3.36Å; T567-F570 WeakPolarHBondContact O-CB 3.43Å; T567-F570 PolarHBondContact O-N 2.75Å; T567-F570 VanDerWaalsContact O-N 3.16Å; L568-F570 VanDerWaalsContact C-N 3.33Å; L568-F570 PolarHBondContact O-N 3.44Å; F570-Q572 VanDerWaalsContact C-N 3.3Å; F570-Q572 PolarHBondContact O-N 3.36Å; F570-S573 PolarHBondContact O-N 3.46Å; F570-S573 VanDerWaalsContact O-N 3.17Å; F570-L579 HydrophobicContact CB-CD2 4.3Å; F570-L579 HydrophobicContact CD2-CD2 4.2Å
571	L	95.8	Very high	87.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-32	-177.5	-61	174.8	0	0	0	113.4	E432 F433 Q434 M435 L533 F536 F546 T567 L568 C569 S573	E432-L571 HydrophobicContact CB-CD2 4.03Å; F433-L571 HydrophobicContact CD1-CD2 3.92Å; F433-L571 HydrophobicContact CD2-CB 4.43Å; F433-L571 HydrophobicContact CD2-CD2 4.48Å; F433-L571 HydrophobicContact CE1-CD1 4.03Å; F433-L571 HydrophobicContact CE1-CD2 3.95Å; F433-L571 HydrophobicContact CE1-CG 4.42Å; F433-L571 HydrophobicContact CE2-CB 3.97Å; F433-L571 HydrophobicContact CE2-CD2 4.5Å; F433-L571 HydrophobicContact CG-CD2 4.21Å; F433-L571 HydrophobicContact CZ-CB 4.09Å; F433-L571 HydrophobicContact CZ-CD1 3.94Å; F433-L571 HydrophobicContact CZ-CD2 4.25Å; F433-L571 HydrophobicContact CZ-CG 4.32Å; F433-L571 VanDerWaalsContact O-CA 3.31Å; F433-L571 WeakPolarHBondContact O-CA 3.43Å; F433-L571 WeakPolarHBondContact O-CD2 3.27Å; Q434-L571 CarbonylContact C-O 3.54Å; Q434-L571 WeakPolarHBondContact CA-O 3.25Å; M435-L571 WeakPolarHBondContact CG-O 3.41Å; M435-L571 PolarHBondContact N-O 3.39Å; L533-L571 HydrophobicContact CD2-CB 3.62Å; L533-L571 HydrophobicContact CD2-CD1 3.94Å; L533-L571 HydrophobicContact CD2-CG 4.46Å; F536-L571 HydrophobicContact CD2-CD1 4.39Å; F536-L571 HydrophobicContact CE2-CD1 4.25Å; F546-L571 HydrophobicContact CE1-CD1 3.81Å; F546-L571 HydrophobicContact CE2-CD1 4.25Å; F546-L571 HydrophobicContact CZ-CD1 3.6Å; F546-L571 HydrophobicContact CZ-CD2 4Å; F546-L571 HydrophobicContact CZ-CG 4.35Å; T567-L571 HydrophobicContact CG2-CD1 4.34Å; T567-L571 WeakPolarHBondContact O-CG 3.36Å; T567-L571 PolarHBondContact O-N 3.08Å; L568-L571 HydrophobicContact CD2-CD1 4.44Å; L568-L571 PolarHBondContact O-N 3.18Å; C569-L571 PolarHBondContact O-N 3.15Å; L571-S573 VanDerWaalsContact C-N 3.34Å
572	Q	93.1	Very high	86.4	Confident	55 Å²	55	27.4 Å²	27.4	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-78.1	-18.9	178.2	-171.3	171.9	-13.9	0	0	113	Y437 L533 L568 C569 F570	Y437-Q572 HydrophobicContact CE2-CG 3.82Å; L533-Q572 HydrophobicContact CD1-CB 4.35Å; L568-Q572 WeakPolarHBondContact O-CB 3.17Å; L568-Q572 PolarHBondContact O-N 3.22Å; C569-Q572 PolarHBondContact O-N 3.23Å; F570-Q572 VanDerWaalsContact C-N 3.3Å; F570-Q572 PolarHBondContact O-N 3.36Å
573	S	90.1	Very high	84.8	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.021	18%	0.18	C	C	.	.			trans	-102.5	94.5	-166	-59	0	0	0	0	113.1	Q434 C569 F570 L571 E578 L579	Q434-S573 VanDerWaalsContact CD-O 3.3Å; Q434-S573 WeakPolarHBondContact CG-O 3.41Å; C569-S573 VanDerWaalsContact O-CB 3.27Å; C569-S573 WeakPolarHBondContact O-CB 3.39Å; C569-S573 PolarHBondContact O-N 2.86Å; C569-S573 PolarHBondContact O-OG 3.2Å; F570-S573 PolarHBondContact O-N 3.46Å; F570-S573 VanDerWaalsContact O-N 3.17Å; L571-S573 VanDerWaalsContact C-N 3.34Å; S573-E578 WeakPolarHBondContact OG-CB 3.32Å; S573-L579 VanDerWaalsContact CB-CD2 3.44Å; S573-L579 PolarHBondContact OG-N 2.75Å
574	G	93.5	Very high	82.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-76.4	-11.3	166.2	0	0	0	0	0	113.6	M435	M435-G574 VanDerWaalsContact O-CA 3.31Å; M435-G574 WeakPolarHBondContact O-CA 3.29Å; M435-G574 PolarHBondContact O-N 2.9Å
575	R	92.9	Very high	80.5	Confident	30 Å²	30	41.3 Å²	41.3	11%	0.113	22%	0.215	C	C	.	.	S	Bend	trans	-121.2	137.2	178.6	-156.1	171.3	66.8	-160.9	-12.5	111.1	S406 Y410 D577 E578	S406-R575 WeakPolarHBondContact OG-CA 3.34Å; Y410-R575 HydrophobicContact CD2-CB 3.63Å; Y410-R575 HydrophobicContact CD2-CG 4.24Å; Y410-R575 HydrophobicContact CE2-CB 4.03Å; Y410-R575 HydrophobicContact CG-CB 4.09Å; Y410-R575 HydrophobicContact CG-CG 4.22Å; R575-D577 VanDerWaalsContact C-N 3.32Å; R575-D577 WeakPolarHBondContact CD-OD1 3.28Å; R575-D577 VanDerWaalsContact CG-OD1 3.29Å; R575-D577 WeakPolarHBondContact CG-OD1 3.33Å; R575-D577 IonicContact CZ-OD1 3.12Å; R575-D577 IonicContact NE-OD1 3.17Å; R575-D577 PolarHBondContact NE-OD1 3.36Å; R575-D577 IonicContact NE-OD2 3.27Å; R575-D577 IonicContact NH2-OD1 2.64Å; R575-D577 IonicContact NH2-OD2 3.9Å; R575-D577 PolarHBondContact O-N 3.06Å; R575-E578 HydrophobicContact CB-CG 4.08Å; R575-E578 VanDerWaalsContact CB-OE2 3.28Å; R575-E578 WeakPolarHBondContact CB-OE2 3.49Å; R575-E578 PolarHBondContact N-OE2 2.79Å; R575-E578 VanDerWaalsContact N-OE2 3.16Å; R575-E578 WeakPolarHBondContact O-CB 3.43Å; R575-E578 PolarHBondContact O-N 2.81Å; R575-E578 VanDerWaalsContact O-N 3.1Å
576	S	89.5	Confident	78.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-25.1	-169.2	61	0	0	0	0	115.4	G399 C401 G403 S406 E578	G399-S576 WeakPolarHBondContact O-CA 3.4Å; G399-S576 WeakPolarHBondContact O-CB 3.4Å; C401-S576 WeakPolarHBondContact O-CB 3.16Å; C401-S576 PolarHBondContact O-OG 3.34Å; G403-S576 WeakPolarHBondContact CA-OG 3.32Å; S406-S576 VanDerWaalsContact CB-OG 3.28Å; S406-S576 WeakPolarHBondContact CB-OG 3.4Å; S406-S576 PolarHBondContact OG-N 2.99Å; S576-E578 VanDerWaalsContact C-N 3.32Å
577	D	82.4	Confident	76.2	Confident	33 Å²	33	48.4 Å²	48.4	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-78.1	-15.3	175.5	74.9	-46.6	0	0	0	113.5	R575 D580 K581	R575-D577 VanDerWaalsContact C-N 3.32Å; R575-D577 WeakPolarHBondContact CD-OD1 3.28Å; R575-D577 VanDerWaalsContact CG-OD1 3.29Å; R575-D577 WeakPolarHBondContact CG-OD1 3.33Å; R575-D577 IonicContact CZ-OD1 3.12Å; R575-D577 IonicContact NE-OD1 3.17Å; R575-D577 PolarHBondContact NE-OD1 3.36Å; R575-D577 IonicContact NE-OD2 3.27Å; R575-D577 IonicContact NH2-OD1 2.64Å; R575-D577 IonicContact NH2-OD2 3.9Å; R575-D577 PolarHBondContact O-N 3.06Å; D577-D580 PolarHBondContact O-N 2.97Å; D577-K581 WeakPolarHBondContact O-CB 3.33Å; D577-K581 WeakPolarHBondContact O-CD 3.43Å; D577-K581 VanDerWaalsContact O-CG 3.26Å; D577-K581 WeakPolarHBondContact O-CG 3.42Å; D577-K581 PolarHBondContact O-N 2.68Å; D577-K581 IonicContact OD2-NZ 3.75Å; D577-K581 PolarHBondContact OD2-NZ 2.92Å
578	E	79.3	Confident	74.1	Confident	11 Å²	11	50.5 Å²	50.5	5%	0.051	27%	0.271	C	S	.	.	H	α-helix	trans	-71	-36.4	173.6	-64.9	-179.4	106.9	0	0	111.1	M442 S573 R575 S576 D580 K581 C582	M442-E578 HydrophobicContact CE-CG 4.46Å; M442-E578 WeakPolarHBondContact CE-OE1 3.21Å; S573-E578 WeakPolarHBondContact OG-CB 3.32Å; R575-E578 HydrophobicContact CB-CG 4.08Å; R575-E578 VanDerWaalsContact CB-OE2 3.28Å; R575-E578 WeakPolarHBondContact CB-OE2 3.49Å; R575-E578 PolarHBondContact N-OE2 2.79Å; R575-E578 VanDerWaalsContact N-OE2 3.16Å; R575-E578 WeakPolarHBondContact O-CB 3.43Å; R575-E578 PolarHBondContact O-N 2.81Å; R575-E578 VanDerWaalsContact O-N 3.1Å; S576-E578 VanDerWaalsContact C-N 3.32Å; E578-D580 VanDerWaalsContact C-N 3.28Å; E578-D580 PolarHBondContact O-N 3.11Å; E578-K581 CarbonylContact O-C 3.57Å; E578-K581 PolarHBondContact O-N 2.95Å; E578-K581 VanDerWaalsContact O-N 3.13Å; E578-C582 PolarHBondContact O-N 3.42Å
579	L	74.8	Confident	71.6	Confident	45 Å²	45	54.4 Å²	54.4	24%	0.236	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-45.3	172.3	-64.1	173.9	0	0	0	110.9	G399 L400 F570 S573 K581	G399-L579 WeakPolarHBondContact O-CD1 3.3Å; L400-L579 HydrophobicContact CD2-CD1 4.4Å; F570-L579 HydrophobicContact CB-CD2 4.3Å; F570-L579 HydrophobicContact CD2-CD2 4.2Å; S573-L579 VanDerWaalsContact CB-CD2 3.44Å; S573-L579 PolarHBondContact OG-N 2.75Å; L579-K581 PolarHBondContact O-N 2.74Å
580	D	67.6	Low	69.1	Low	85 Å²	85	57.7 Å²	57.7	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-68.7	-23.4	-179.1	-65.9	-23.1	0	0	0	112.8	D577 E578	D577-D580 PolarHBondContact O-N 2.97Å; E578-D580 VanDerWaalsContact C-N 3.28Å; E578-D580 PolarHBondContact O-N 3.11Å
581	K	66.1	Low	66.3	Low	96 Å²	96	64 Å²	64	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-106.4	0.6	-174.8	-67.8	170.8	-172.3	165.3	0	113.6	D577 E578 L579 D583 Q584	D577-K581 WeakPolarHBondContact O-CB 3.33Å; D577-K581 WeakPolarHBondContact O-CD 3.43Å; D577-K581 VanDerWaalsContact O-CG 3.26Å; D577-K581 WeakPolarHBondContact O-CG 3.42Å; D577-K581 PolarHBondContact O-N 2.68Å; D577-K581 IonicContact OD2-NZ 3.75Å; D577-K581 PolarHBondContact OD2-NZ 2.92Å; E578-K581 CarbonylContact O-C 3.57Å; E578-K581 PolarHBondContact O-N 2.95Å; E578-K581 VanDerWaalsContact O-N 3.13Å; L579-K581 PolarHBondContact O-N 2.74Å; K581-D583 PolarHBondContact O-N 3.48Å; K581-D583 VanDerWaalsContact O-N 3.1Å; K581-Q584 WeakPolarHBondContact O-CB 3.33Å; K581-Q584 PolarHBondContact O-N 3.49Å
582	C	65.9	Low	63.7	Low	8 Å²	8	67 Å²	67	5%	0.054	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-61.4	-26.5	-169.4	-168.9	0	0	0	0	113.6	C569 E578 Q584 L585	C569-C582 WeakPolarHBondContact CA-SG 3.5Å; C569-C582 HydrophobicContact CB-CB 3.54Å; C569-C582 WeakPolarHBondContact CB-SG 3.45Å; C569-C582 WeakPolarHBondContact SG-CB 3.4Å; C569-C582 CovalentContact SG-SG 2.01Å; C569-C582 PolarHBondContact SG-SG 3.02Å; E578-C582 PolarHBondContact O-N 3.42Å; C582-Q584 PolarHBondContact O-N 2.87Å; C582-Q584 VanDerWaalsContact O-N 3.07Å; C582-L585 PolarHBondContact O-N 3.28Å
583	D	53.4	Low	60.9	Low	141 Å²	141	68.8 Å²	68.8	75%	0.754	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-56.7	-23.3	171.2	-72.2	-16.1	0	0	0	113.7	K581	K581-D583 PolarHBondContact O-N 3.48Å; K581-D583 VanDerWaalsContact O-N 3.1Å
584	Q	48.1	Very low	58	Low	164 Å²	164	77.3 Å²	77.3	77%	0.766	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-99.5	-13.4	-175.6	-58.2	-177.6	-1.1	0	0	113.1	K581 C582 N586	K581-Q584 WeakPolarHBondContact O-CB 3.33Å; K581-Q584 PolarHBondContact O-N 3.49Å; C582-Q584 PolarHBondContact O-N 2.87Å; C582-Q584 VanDerWaalsContact O-N 3.07Å; Q584-N586 PolarHBondContact O-N 3.45Å
585	L	45.6	Very low	54.9	Low	73 Å²	73	79.4 Å²	79.4	38%	0.382	47%	0.471	S	S	.	.	S	Bend	trans	-98.1	90.9	-174.5	-71.3	167.1	0	0	0	110.6	C582	C582-L585 PolarHBondContact O-N 3.28Å
586	N	44.8	Very low	52	Low	147 Å²	147	80 Å²	80	79%	0.786	48%	0.482	S	S	*	.	S	Bend	trans	51.6	99.8	153.9	-66.5	-34.1	0	0	0	118.9	Q584	Q584-N586 PolarHBondContact O-N 3.45Å
587	G	45.2	Very low	49.2	Very low	75 Å²	75	88.4 Å²	88.4	77%	0.773	51%	0.513	S	S	*	.	S	Bend	trans	113.5	-15.1	149.8	0	0	0	0	0	116.6	A589	G587-A589 PolarHBondContact O-N 2.79Å; G587-A589 VanDerWaalsContact O-N 3.15Å
588	F	49	Very low	46.5	Very low	55 Å²	55	95.3 Å²	95.3	24%	0.241	54%	0.542	C	S	.	.	S	Bend	trans	-83.5	89.3	171.4	-53.8	-75.6	0	0	0	108.1	I537 T565 L568 G590	I537-F588 HydrophobicContact CD1-CZ 4.47Å; I537-F588 HydrophobicContact CG1-CZ 4.36Å; T565-F588 HydrophobicContact CG2-CB 4.3Å; T565-F588 HydrophobicContact CG2-CD1 3.85Å; T565-F588 HydrophobicContact CG2-CD2 4.16Å; T565-F588 HydrophobicContact CG2-CE1 4.2Å; T565-F588 HydrophobicContact CG2-CE2 4.49Å; T565-F588 HydrophobicContact CG2-CG 3.83Å; L568-F588 HydrophobicContact CB-CZ 4.2Å; L568-F588 HydrophobicContact CD1-CE1 4.01Å; L568-F588 HydrophobicContact CD1-CZ 4.09Å; F588-G590 PolarHBondContact O-N 3.21Å; F588-G590 VanDerWaalsContact O-N 3.1Å
589	A	40.6	Very low	43.8	Very low	85 Å²	85	99.6 Å²	99.6	70%	0.702	57%	0.569	S	S	*	*			trans	-39.9	120.6	-178.2	0	0	0	0	0	111.1	G587 N591	G587-A589 PolarHBondContact O-N 2.79Å; G587-A589 VanDerWaalsContact O-N 3.15Å; A589-N591 PolarHBondContact O-N 3.36Å
590	G	39.6	Very low	41.5	Very low	79 Å²	79	101.3 Å²	101.3	81%	0.814	58%	0.581	S	S	*	*	S	Bend	trans	-64.1	53	-164.9	0	0	0	0	0	117.5	F588	F588-G590 PolarHBondContact O-N 3.21Å; F588-G590 VanDerWaalsContact O-N 3.1Å
591	N	34.4	Very low	39.2	Very low	156 Å²	156	103.9 Å²	103.9	83%	0.834	60%	0.604	S	S	*	*			trans	-123.8	30.4	-179	-89.2	-10.8	0	0	0	113	A589	A589-N591 PolarHBondContact O-N 3.36Å
592	L	42.4	Very low	37.9	Very low	64 Å²	64	104.3 Å²	104.3	34%	0.335	61%	0.613	S	S	.	*			trans	-124.4	19.5	176.1	-80.3	164.4	0	0	0	113.9	Q594 A595	L592-Q594 PolarHBondContact O-N 3.41Å; L592-A595 HydrophobicContact CD2-CB 4.14Å; L592-A595 PolarHBondContact O-N 3.2Å
593	A	33.5	Very low	36.4	Very low	93 Å²	93	109.3 Å²	109.3	77%	0.769	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	9	-178.6	0	0	0	0	0	115.8
594	Q	30.2	Very low	35.4	Very low	181 Å²	181	107.6 Å²	107.6	85%	0.846	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	-12.2	179	-128.6	171.6	16.8	0	0	115.5	L592	L592-Q594 PolarHBondContact O-N 3.41Å
595	A	27.4	Very low	34.7	Very low	45 Å²	45	104.2 Å²	104.2	37%	0.372	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	-34.1	-179.1	0	0	0	0	0	113	L592 R597 K598 T599	L592-A595 HydrophobicContact CD2-CB 4.14Å; L592-A595 PolarHBondContact O-N 3.2Å; A595-R597 PolarHBondContact O-N 3.16Å; A595-K598 PolarHBondContact O-N 3.28Å; A595-K598 VanDerWaalsContact O-N 3.12Å; A595-T599 PolarHBondContact O-OG1 2.9Å
596	A	31.5	Very low	34	Very low	41 Å²	41	106.2 Å²	106.2	34%	0.339	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-6.4	179.3	0	0	0	0	0	114.9	Q31	Q31-A596 PolarHBondContact NE2-O 3.26Å
597	R	32	Very low	33.3	Very low	179 Å²	179	103.5 Å²	103.5	68%	0.675	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	0.4	175.4	-74.8	-176.4	176.6	177.7	-0.7	114.2	A595	A595-R597 PolarHBondContact O-N 3.16Å
598	K	24.6	Very low	32.4	Very low	179 Å²	179	105.5 Å²	105.5	78%	0.778	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-7.8	-174.2	-85.7	-170.9	175.4	-176.5	0	116.8	A595	A595-K598 PolarHBondContact O-N 3.28Å; A595-K598 VanDerWaalsContact O-N 3.12Å
599	T	23.9	Very low	31.2	Very low	101 Å²	101	109.4 Å²	109.4	62%	0.62	65%	0.654	S	S	*	*	S	Bend	trans	-125.6	26.6	-166.3	39.8	0	0	0	0	115.2	A595	A595-T599 PolarHBondContact O-OG1 2.9Å
600	V	24.7	Very low	30.4	Very low	81 Å²	81	111.4 Å²	111.4	49%	0.491	65%	0.65	S	S	.	*			trans	-121	79.6	162	-169.5	0	0	0	0	106.1
601	C	20.3	Very low	29.6	Very low	138 Å²	138	114.4 Å²	114.4	93%	0.932	64%	0.636	S	S	*	*			trans	-102.2	0	175.9	-92.6	0	0	0	0	109.1	H28	H28-C601 PolarHBondContact CD2-O 3.4Å; H28-C601 PolarHBondContact CD2-OXT 2.88Å

Retrieved 601 of 601 residues in 610.2 ms (Link to these results)

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