A0A087X985_POEFO Loading...

N-alpha-acetyltransferase 60

N-alpha-acetyltransferase that specifically mediates the acetylation of N-terminal residues of the transmembrane proteins, with a strong preference for N-termini facing the cytosol. Displays N-terminal acetyltransferase activity towards a range of N-terminal sequences including those starting with Met-Lys, Met-Val, Met-Ala and Met-Met. Required for normal chromosomal segregation during anaphase. May also show histone acetyltransferase activity; such results are however unclear in vivo and would require additional experimental evidences.

AlphaFold DB , UniProt , Accession A0A087X985, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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	37.1	Very low	67.7	Low	225 Å²	225	94.6 Å²	94.6	100%	1.108	56%	0.56	S	S	*	*				0	117.8	0	-90.5	142.1	76	0	0	106.8	D3	M1-D3 PolarHBondContact O-N 3.15Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2	S	42.5	Very low	69.7	Low	111 Å²	111	93.1 Å²	93.1	78%	0.776	54%	0.543	S	S	*	.			trans	-73	99.3	173.2	47.7	0	0	0	0	107.6	V4	S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 PolarHBondContact O-N 2.91Å
3	D	56.9	Low	71.7	Confident	142 Å²	142	87.3 Å²	87.3	76%	0.759	51%	0.51	S	S	*	.			trans	-66	95.9	171.1	-76	-28.8	0	0	0	107.9	M1 V5	M1-D3 PolarHBondContact O-N 3.15Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-V5 PolarHBondContact O-N 3.39Å; D3-V5 VanDerWaalsContact O-N 3.16Å
4	V	69.6	Low	73.5	Confident	127 Å²	127	90.9 Å²	90.9	77%	0.77	52%	0.52	S	S	*	.			trans	-63.1	115.9	171.3	178.4	0	0	0	0	106.5	S2	S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 PolarHBondContact O-N 2.91Å
5	V	72.4	Confident	75.2	Confident	19 Å²	19	89.5 Å²	89.5	12%	0.115	51%	0.509	C	S	.	.			trans	-56.2	122.4	176.2	176.7	0	0	0	0	108	D3 A9 E106 F107	D3-V5 PolarHBondContact O-N 3.39Å; D3-V5 VanDerWaalsContact O-N 3.16Å; V5-A9 HydrophobicContact CG1-CB 3.36Å; V5-E106 HydrophobicContact CG2-CB 3.98Å; V5-F107 HydrophobicContact CG1-CD1 3.77Å; V5-F107 HydrophobicContact CG1-CE1 3.77Å; V5-F107 HydrophobicContact CG1-CG 4.45Å; V5-F107 HydrophobicContact CG1-CZ 4.44Å; V5-F107 HydrophobicContact CG2-CD1 4.21Å; V5-F107 HydrophobicContact CG2-CD2 4.13Å; V5-F107 HydrophobicContact CG2-CE1 4.04Å; V5-F107 HydrophobicContact CG2-CE2 3.95Å; V5-F107 HydrophobicContact CG2-CG 4.25Å; V5-F107 HydrophobicContact CG2-CZ 3.9Å
6	P	77.2	Confident	76.6	Confident	36 Å²	36	89.3 Å²	89.3	23%	0.234	50%	0.498	C	S	.	.			trans	-67.2	150.8	-175.5	25.6	-32.6	0	0	0	110.4	T8 A9 F59	P6-T8 PolarHBondContact O-N 2.95Å; P6-A9 HydrophobicContact CG-CB 4.35Å; P6-A9 WeakPolarHBondContact O-CB 3.46Å; P6-A9 PolarHBondContact O-N 3.24Å; P6-F59 HydrophobicContact CG-CZ 4.35Å
7	P	69.8	Low	77.9	Confident	128 Å²	128	90.9 Å²	90.9	83%	0.831	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.2	175.5	-22.2	31.7	0	0	0	113.1	A9	P7-A9 VanDerWaalsContact C-N 3.29Å; P7-A9 PolarHBondContact O-N 3.07Å
8	T	75.9	Confident	79.1	Confident	76 Å²	76	86.6 Å²	86.6	47%	0.466	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.9	177	56.1	0	0	0	0	113.8	P6 L10 S11	P6-T8 PolarHBondContact O-N 2.95Å; T8-L10 PolarHBondContact O-N 3.16Å; T8-L10 VanDerWaalsContact O-N 3.07Å; T8-S11 WeakPolarHBondContact O-CB 3.49Å; T8-S11 PolarHBondContact O-N 3.26Å; T8-S11 PolarHBondContact O-OG 2.91Å
9	A	76.1	Confident	80	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	47%	0.469	C	S	.	.	H	α-helix	trans	-53.7	-37.4	-172.6	0	0	0	0	0	113.1	V5 P6 P7 S11 E12 V13 F59 F107	V5-A9 HydrophobicContact CG1-CB 3.36Å; P6-A9 HydrophobicContact CG-CB 4.35Å; P6-A9 WeakPolarHBondContact O-CB 3.46Å; P6-A9 PolarHBondContact O-N 3.24Å; P7-A9 VanDerWaalsContact C-N 3.29Å; P7-A9 PolarHBondContact O-N 3.07Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 3.4Å; A9-E12 PolarHBondContact O-N 3.08Å; A9-E12 VanDerWaalsContact O-N 3.17Å; A9-V13 WeakPolarHBondContact O-CG2 3.01Å; A9-V13 PolarHBondContact O-N 2.79Å; A9-F59 HydrophobicContact CB-CD2 4.49Å; A9-F59 HydrophobicContact CB-CE2 4.12Å; A9-F107 HydrophobicContact CB-CE1 4.48Å
10	L	82.1	Confident	80.9	Confident	76 Å²	76	86.4 Å²	86.4	40%	0.398	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-34.5	177.5	-172.6	64.4	0	0	0	113.1	T8 E12 V13 I112 L115	T8-L10 PolarHBondContact O-N 3.16Å; T8-L10 VanDerWaalsContact O-N 3.07Å; L10-E12 VanDerWaalsContact C-N 3.27Å; L10-E12 PolarHBondContact O-N 3.16Å; L10-V13 PolarHBondContact O-N 3.48Å; L10-I112 HydrophobicContact CD1-CG1 4.14Å; L10-L115 HydrophobicContact CD1-CD2 4.1Å
11	S	84.9	Confident	81.7	Confident	101 Å²	101	88.9 Å²	88.9	71%	0.706	49%	0.485	S	S	*	.	H	α-helix	trans	-72.5	-20.7	179.5	66.3	0	0	0	0	113.8	T8 A9	T8-S11 WeakPolarHBondContact O-CB 3.49Å; T8-S11 PolarHBondContact O-N 3.26Å; T8-S11 PolarHBondContact O-OG 2.91Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 3.4Å
12	E	91.8	Very high	84.6	Confident	76 Å²	76	78.5 Å²	78.5	36%	0.355	43%	0.434	S	S	.	.	H	α-helix	trans	-95.4	-7.1	176.2	-71.2	175.3	-134	0	0	112.2	A9 L10 F59 R60	A9-E12 PolarHBondContact O-N 3.08Å; A9-E12 VanDerWaalsContact O-N 3.17Å; L10-E12 VanDerWaalsContact C-N 3.27Å; L10-E12 PolarHBondContact O-N 3.16Å; E12-F59 HydrophobicContact CB-CD2 3.87Å; E12-F59 HydrophobicContact CB-CE2 3.65Å; E12-F59 HydrophobicContact CG-CE2 4.37Å; E12-F59 WeakPolarHBondContact OE2-CE2 3.36Å; E12-R60 IonicContact OE2-NE 3.62Å; E12-R60 IonicContact OE2-NH2 3.81Å
13	V	95.8	Very high	87.3	Confident	18 Å²	18	74 Å²	74	11%	0.109	40%	0.401	C	S	.	.			trans	-71.9	131.8	178.7	165.4	0	0	0	0	109.9	A9 L10 A57 T58 F59 I112 L115	A9-V13 WeakPolarHBondContact O-CG2 3.01Å; A9-V13 PolarHBondContact O-N 2.79Å; L10-V13 PolarHBondContact O-N 3.48Å; V13-A57 HydrophobicContact CG1-CB 3.82Å; V13-T58 CarbonylContact C-O 3.47Å; V13-T58 VanDerWaalsContact CA-O 3.26Å; V13-T58 WeakPolarHBondContact CA-O 3.36Å; V13-F59 HydrophobicContact CG2-CB 4.43Å; V13-I112 HydrophobicContact CG2-CD1 3.88Å; V13-I112 HydrophobicContact CG2-CG1 4.27Å; V13-L115 HydrophobicContact CG1-CD2 4.1Å
14	Q	97.3	Very high	89.2	Confident	138 Å²	138	72.9 Å²	72.9	65%	0.645	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.2	173.1	-62.1	178	5.6	0	0	110	A57 T58	Q14-A57 CarbonylContact O-C 3.56Å; Q14-A57 WeakPolarHBondContact O-CA 3.44Å; Q14-T58 PolarHBondContact N-O 3.34Å; Q14-T58 PolarHBondContact O-N 3.28Å; Q14-T58 PolarHBondContact O-OG1 2.87Å
15	L	98.4	Very high	90.5	Very high	69 Å²	69	71 Å²	71	36%	0.361	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.7	176.7	-61.7	175.4	0	0	0	109.5	L55 A56 A57 L115 L116 S119	L15-L55 HydrophobicContact CB-CD1 4.29Å; L15-L55 HydrophobicContact CB-CD2 4.43Å; L15-L55 HydrophobicContact CD1-CD2 4.26Å; L15-L55 HydrophobicContact CD2-CD2 4.23Å; L15-A56 WeakPolarHBondContact CA-O 3.38Å; L15-A57 HydrophobicContact CD2-CB 4.02Å; L15-L115 HydrophobicContact CD1-CD1 4.19Å; L15-L115 HydrophobicContact CD1-CD2 4.26Å; L15-L115 HydrophobicContact CD1-CG 4.09Å; L15-L115 HydrophobicContact CD2-CD2 4.06Å; L15-L115 HydrophobicContact CD2-CG 4.33Å; L15-L115 HydrophobicContact CG-CD2 4.32Å; L15-L116 HydrophobicContact CD2-CD2 4.15Å; L15-S119 WeakPolarHBondContact CD1-OG 3.1Å
16	R	98.3	Very high	91.7	Very high	87 Å²	87	70.1 Å²	70.1	33%	0.328	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.2	171.1	65.4	169.8	-176.3	79.9	-5.9	110.6	D22 A56 T58	R16-D22 IonicContact CZ-OD1 3.44Å; R16-D22 IonicContact CZ-OD2 3.01Å; R16-D22 IonicContact NH1-OD1 3.2Å; R16-D22 IonicContact NH1-OD2 2.89Å; R16-D22 PolarHBondContact NH1-OD2 3.49Å; R16-D22 IonicContact NH2-OD1 3.78Å; R16-D22 PolarHBondContact NH2-OD1 2.84Å; R16-D22 IonicContact NH2-OD2 3.95Å; R16-D22 PolarHBondContact NH2-OD2 2.86Å; R16-A56 PolarHBondContact N-O 3.04Å; R16-A56 PolarHBondContact O-N 2.91Å; R16-T58 HydrophobicContact CG-CG2 4.11Å
17	F	98.5	Very high	92.6	Very high	116 Å²	116	70.7 Å²	70.7	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	149.3	170.9	-71.3	-79.4	0	0	0	110.8	F53 S54 L55	F17-F53 AromaticContact CE1-CD2 3.64Å; F17-F53 HydrophobicContact CE1-CD2 3.64Å; F17-F53 AromaticContact CE1-CE2 3.7Å; F17-F53 HydrophobicContact CE1-CE2 3.7Å; F17-F53 HydrophobicContact CE1-CG 4.41Å; F17-F53 HydrophobicContact CZ-CD2 4.05Å; F17-F53 AromaticContact CZ-CE2 3.78Å; F17-F53 HydrophobicContact CZ-CE2 3.78Å; F17-S54 CarbonylContact C-O 3.6Å; F17-S54 VanDerWaalsContact CA-O 3.29Å; F17-S54 WeakPolarHBondContact CA-O 3.39Å; F17-S54 WeakPolarHBondContact CD1-O 3.39Å; F17-L55 HydrophobicContact CD1-CD1 4.37Å; F17-L55 HydrophobicContact CE1-CD1 4.35Å; F17-L55 HydrophobicContact CZ-CD1 4.48Å
18	L	98.4	Very high	93.9	Very high	14 Å²	14	70.3 Å²	70.3	7%	0.073	36%	0.361	C	S	.	.			trans	-63.7	147.5	167.9	-67.4	-178.1	0	0	0	109.9	D22 V26 I46 T47 S54 A56 I63 M66 V68	L18-D22 WeakPolarHBondContact CA-OD2 3.44Å; L18-D22 HydrophobicContact CD2-CB 4.06Å; L18-V26 HydrophobicContact CD1-CG2 4.06Å; L18-V26 HydrophobicContact CD2-CG2 3.87Å; L18-I46 HydrophobicContact CD1-CD1 4.38Å; L18-T47 HydrophobicContact CB-CG2 4.34Å; L18-T47 HydrophobicContact CD1-CG2 4.39Å; L18-S54 PolarHBondContact N-O 2.98Å; L18-A56 HydrophobicContact CD2-CB 3.74Å; L18-A56 HydrophobicContact CG-CB 4.47Å; L18-I63 HydrophobicContact CD2-CD1 3.87Å; L18-M66 HydrophobicContact CD1-SD 4.18Å; L18-V68 HydrophobicContact CD1-CG2 4.42Å
19	C	97.9	Very high	94.9	Very high	54 Å²	54	67.9 Å²	67.9	37%	0.365	35%	0.345	S	S	.	.			trans	-128.4	172.1	170.6	67	0	0	0	0	110.7	D21 D22 T47	C19-D21 PolarHBondContact O-N 2.98Å; C19-D21 VanDerWaalsContact O-N 3.17Å; C19-D22 PolarHBondContact N-OD2 3.25Å; C19-D22 WeakPolarHBondContact O-CB 3.4Å; C19-D22 PolarHBondContact O-N 2.6Å; C19-D22 PolarHBondContact SG-OD2 3.06Å; C19-T47 CarbonylContact C-O 3.56Å; C19-T47 WeakPolarHBondContact CA-O 3.06Å; C19-T47 WeakPolarHBondContact O-CB 3.04Å
20	H	97.4	Very high	95.8	Very high	114 Å²	114	67.9 Å²	67.9	53%	0.528	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-52.7	-37.3	-179.6	-175.2	76.9	0	0	0	113.4	D22 I23 S48	H20-D22 PolarHBondContact O-N 3.48Å; H20-D22 VanDerWaalsContact O-N 3.16Å; H20-I23 WeakPolarHBondContact O-CD1 3.48Å; H20-I23 WeakPolarHBondContact O-CG1 3.3Å; H20-I23 PolarHBondContact O-N 2.87Å; H20-S48 PolarHBondContact ND1-OG 3.23Å
21	D	97.8	Very high	96.3	Very high	139 Å²	139	66.9 Å²	66.9	74%	0.743	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-68.3	-14.1	-178.7	-59.8	-21.3	0	0	0	113	C19	C19-D21 PolarHBondContact O-N 2.98Å; C19-D21 VanDerWaalsContact O-N 3.17Å
22	D	98.1	Very high	96.7	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.043	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-82.6	-8	179.1	-64	-49	0	0	0	113.7	R16 L18 C19 H20 E24 N25 V26 I63	R16-D22 IonicContact CZ-OD1 3.44Å; R16-D22 IonicContact CZ-OD2 3.01Å; R16-D22 IonicContact NH1-OD1 3.2Å; R16-D22 IonicContact NH1-OD2 2.89Å; R16-D22 PolarHBondContact NH1-OD2 3.49Å; R16-D22 IonicContact NH2-OD1 3.78Å; R16-D22 PolarHBondContact NH2-OD1 2.84Å; R16-D22 IonicContact NH2-OD2 3.95Å; R16-D22 PolarHBondContact NH2-OD2 2.86Å; L18-D22 WeakPolarHBondContact CA-OD2 3.44Å; L18-D22 HydrophobicContact CD2-CB 4.06Å; C19-D22 PolarHBondContact N-OD2 3.25Å; C19-D22 WeakPolarHBondContact O-CB 3.4Å; C19-D22 PolarHBondContact O-N 2.6Å; C19-D22 PolarHBondContact SG-OD2 3.06Å; H20-D22 PolarHBondContact O-N 3.48Å; H20-D22 VanDerWaalsContact O-N 3.16Å; D22-E24 VanDerWaalsContact C-N 3.34Å; D22-E24 PolarHBondContact O-N 3.18Å; D22-N25 PolarHBondContact O-N 3.24Å; D22-N25 VanDerWaalsContact O-N 3.13Å; D22-V26 HydrophobicContact CB-CG2 4.06Å; D22-V26 WeakPolarHBondContact O-CB 3.43Å; D22-V26 VanDerWaalsContact O-CG2 3.3Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.46Å; D22-I63 HydrophobicContact CB-CD1 4.11Å
23	I	97.9	Very high	96.8	Very high	16 Å²	16	66.3 Å²	66.3	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-50.8	-50.8	-171.1	-74.7	168.6	0	0	0	112.2	H20 V26 K27 Q44 T47	H20-I23 WeakPolarHBondContact O-CD1 3.48Å; H20-I23 WeakPolarHBondContact O-CG1 3.3Å; H20-I23 PolarHBondContact O-N 2.87Å; I23-V26 PolarHBondContact O-N 3.36Å; I23-K27 HydrophobicContact CG2-CD 4.13Å; I23-K27 WeakPolarHBondContact O-CG 3.42Å; I23-K27 PolarHBondContact O-N 3.22Å; I23-Q44 HydrophobicContact CD1-CG 4.15Å; I23-T47 HydrophobicContact CG1-CG2 3.84Å; I23-T47 VanDerWaalsContact CG1-OG1 3.29Å; I23-T47 WeakPolarHBondContact CG1-OG1 3.37Å
24	E	97.4	Very high	96.6	Very high	118 Å²	118	67.3 Å²	67.3	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-69.5	-37.5	-175.6	-63.8	-55.8	127.4	0	0	111.9	D22 K27 L28	D22-E24 VanDerWaalsContact C-N 3.34Å; D22-E24 PolarHBondContact O-N 3.18Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 IonicContact OE1-NZ 2.82Å; E24-K27 PolarHBondContact OE1-NZ 3.44Å; E24-L28 WeakPolarHBondContact O-CG 3.47Å; E24-L28 PolarHBondContact O-N 3.2Å; E24-L28 VanDerWaalsContact O-N 3.17Å
25	N	96.6	Very high	96.1	Very high	89 Å²	89	64 Å²	64	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-42.9	174	-71.9	-27.6	0	0	0	111.6	D22 L28 L29	D22-N25 PolarHBondContact O-N 3.24Å; D22-N25 VanDerWaalsContact O-N 3.13Å; N25-L28 PolarHBondContact O-N 3.03Å; N25-L29 WeakPolarHBondContact O-CG 3.37Å; N25-L29 PolarHBondContact O-N 3.37Å
26	V	97.4	Very high	95.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-38.5	179.5	173.8	0	0	0	0	111.1	L18 D22 I23 L29 C30 Y43 I46 I63 M66	L18-V26 HydrophobicContact CD1-CG2 4.06Å; L18-V26 HydrophobicContact CD2-CG2 3.87Å; D22-V26 HydrophobicContact CB-CG2 4.06Å; D22-V26 WeakPolarHBondContact O-CB 3.43Å; D22-V26 VanDerWaalsContact O-CG2 3.3Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.46Å; I23-V26 PolarHBondContact O-N 3.36Å; V26-L29 PolarHBondContact O-N 3.49Å; V26-C30 VanDerWaalsContact O-CB 3.27Å; V26-C30 WeakPolarHBondContact O-CB 3.33Å; V26-C30 PolarHBondContact O-N 2.97Å; V26-C30 PolarHBondContact O-SG 3.11Å; V26-Y43 HydrophobicContact CG1-CD1 3.87Å; V26-Y43 HydrophobicContact CG1-CE1 4.03Å; V26-I46 HydrophobicContact CG1-CD1 4.03Å; V26-I63 HydrophobicContact CG2-CD1 4.43Å; V26-M66 HydrophobicContact CG1-CE 3.84Å; V26-M66 HydrophobicContact CG1-SD 3.74Å; V26-M66 HydrophobicContact CG2-SD 4.27Å
27	K	97	Very high	95	Very high	48 Å²	48	66.4 Å²	66.4	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-48.5	173.2	-79.2	173.8	175.4	-179.3	0	112.1	I23 E24 C30 G31 D40 Y43	I23-K27 HydrophobicContact CG2-CD 4.13Å; I23-K27 WeakPolarHBondContact O-CG 3.42Å; I23-K27 PolarHBondContact O-N 3.22Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 IonicContact OE1-NZ 2.82Å; E24-K27 PolarHBondContact OE1-NZ 3.44Å; K27-C30 PolarHBondContact O-N 2.85Å; K27-G31 PolarHBondContact O-N 2.96Å; K27-D40 WeakPolarHBondContact CE-OD1 2.99Å; K27-D40 IonicContact NZ-OD1 3.59Å; K27-D40 PolarHBondContact NZ-OD1 3.09Å; K27-Y43 HydrophobicContact CB-CE1 4.32Å; K27-Y43 HydrophobicContact CD-CD2 4.38Å; K27-Y43 HydrophobicContact CG-CD1 3.76Å; K27-Y43 HydrophobicContact CG-CD2 3.66Å; K27-Y43 HydrophobicContact CG-CE1 3.8Å; K27-Y43 HydrophobicContact CG-CE2 3.69Å; K27-Y43 HydrophobicContact CG-CG 3.68Å
28	L	96.1	Very high	94.7	Very high	120 Å²	120	63.6 Å²	63.6	63%	0.628	34%	0.335	S	S	*	.	H	α-helix	trans	-60.4	-50.6	178.6	-69.4	170.8	0	0	0	111.1	E24 N25 C30 G31 D32	E24-L28 WeakPolarHBondContact O-CG 3.47Å; E24-L28 PolarHBondContact O-N 3.2Å; E24-L28 VanDerWaalsContact O-N 3.17Å; N25-L28 PolarHBondContact O-N 3.03Å; L28-C30 PolarHBondContact O-N 3.18Å; L28-G31 PolarHBondContact O-N 3.31Å; L28-D32 PolarHBondContact O-N 3.47Å
29	L	96.8	Very high	94.5	Very high	24 Å²	24	66.7 Å²	66.7	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-43.5	179.8	-70.7	174	0	0	0	112.5	N25 V26 G31 D32 W33 I63 V104	N25-L29 WeakPolarHBondContact O-CG 3.37Å; N25-L29 PolarHBondContact O-N 3.37Å; V26-L29 PolarHBondContact O-N 3.49Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-G31 PolarHBondContact O-N 2.89Å; L29-D32 PolarHBondContact O-N 3.19Å; L29-W33 HydrophobicContact CB-CD2 4.29Å; L29-W33 HydrophobicContact CB-CE3 4.32Å; L29-W33 HydrophobicContact CB-CH2 3.81Å; L29-W33 HydrophobicContact CB-CZ2 3.73Å; L29-W33 HydrophobicContact CB-CZ3 4.08Å; L29-W33 HydrophobicContact CD1-CH2 3.95Å; L29-W33 HydrophobicContact CD1-CZ2 4Å; L29-W33 HydrophobicContact CD2-CZ2 3.82Å; L29-W33 HydrophobicContact CG-CH2 4.33Å; L29-W33 HydrophobicContact CG-CZ2 4.07Å; L29-W33 WeakPolarHBondContact O-CB 3.5Å; L29-W33 VanDerWaalsContact O-CD1 3.29Å; L29-W33 VanDerWaalsContact O-CD2 3.26Å; L29-W33 PolarHBondContact O-N 2.94Å; L29-I63 HydrophobicContact CD1-CB 3.86Å; L29-I63 HydrophobicContact CD1-CG2 3.59Å; L29-V104 HydrophobicContact CD2-CG2 3.58Å
30	C	95.9	Very high	94.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-40.1	175.6	-81.3	0	0	0	0	112.2	V26 K27 L28 D32 W33 F34 Y43 M66	V26-C30 VanDerWaalsContact O-CB 3.27Å; V26-C30 WeakPolarHBondContact O-CB 3.33Å; V26-C30 PolarHBondContact O-N 2.97Å; V26-C30 PolarHBondContact O-SG 3.11Å; K27-C30 PolarHBondContact O-N 2.85Å; L28-C30 PolarHBondContact O-N 3.18Å; C30-D32 PolarHBondContact O-N 2.92Å; C30-W33 PolarHBondContact O-N 3.09Å; C30-F34 HydrophobicContact CB-CD2 4.14Å; C30-F34 PolarHBondContact O-N 2.82Å; C30-Y43 HydrophobicContact CB-CE1 3.99Å; C30-Y43 WeakPolarHBondContact CB-OH 3.32Å; C30-M66 WeakPolarHBondContact SG-CE 3.41Å
31	G	93.4	Very high	94.4	Very high	55 Å²	55	66.6 Å²	66.6	57%	0.567	36%	0.362	S	S	*	.	H	α-helix	trans	-61.2	-32.4	176.3	0	0	0	0	0	113.3	K27 L28 L29	K27-G31 PolarHBondContact O-N 2.96Å; L28-G31 PolarHBondContact O-N 3.31Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-G31 PolarHBondContact O-N 2.89Å
32	D	93.3	Very high	94.4	Very high	135 Å²	135	61.8 Å²	61.8	72%	0.722	33%	0.333	S	S	*	.	H	α-helix	trans	-80.7	-33.9	175.7	-72	-20.4	0	0	0	113	L28 L29 C30	L28-D32 PolarHBondContact O-N 3.47Å; L29-D32 PolarHBondContact O-N 3.19Å; C30-D32 PolarHBondContact O-N 2.92Å
33	W	92.6	Very high	94.4	Very high	30 Å²	30	62 Å²	62	11%	0.114	33%	0.334	C	S	.	.	H	α-helix	trans	-85	-36.7	-174.1	-62.3	-10.5	0	0	0	113.3	L29 C30 M66 V104	L29-W33 HydrophobicContact CB-CD2 4.29Å; L29-W33 HydrophobicContact CB-CE3 4.32Å; L29-W33 HydrophobicContact CB-CH2 3.81Å; L29-W33 HydrophobicContact CB-CZ2 3.73Å; L29-W33 HydrophobicContact CB-CZ3 4.08Å; L29-W33 HydrophobicContact CD1-CH2 3.95Å; L29-W33 HydrophobicContact CD1-CZ2 4Å; L29-W33 HydrophobicContact CD2-CZ2 3.82Å; L29-W33 HydrophobicContact CG-CH2 4.33Å; L29-W33 HydrophobicContact CG-CZ2 4.07Å; L29-W33 WeakPolarHBondContact O-CB 3.5Å; L29-W33 VanDerWaalsContact O-CD1 3.29Å; L29-W33 VanDerWaalsContact O-CD2 3.26Å; L29-W33 PolarHBondContact O-N 2.94Å; C30-W33 PolarHBondContact O-N 3.09Å; W33-M66 HydrophobicContact CH2-CG 4.25Å; W33-M66 HydrophobicContact CZ3-CE 3.97Å; W33-M66 HydrophobicContact CZ3-CG 3.75Å; W33-M66 HydrophobicContact CZ3-SD 3.97Å; W33-V104 HydrophobicContact CZ2-CG2 3.96Å
34	F	91.1	Very high	94.4	Very high	39 Å²	39	66.4 Å²	66.4	17%	0.171	35%	0.354	C	S	.	.			trans	-123.4	132.6	-170.8	-49.4	-65.4	0	0	0	110.3	C30 I36 Y38 S100 L101	C30-F34 HydrophobicContact CB-CD2 4.14Å; C30-F34 PolarHBondContact O-N 2.82Å; F34-I36 PolarHBondContact O-N 3.09Å; F34-Y38 HydrophobicContact CD2-CE2 4.18Å; F34-S100 WeakPolarHBondContact CE2-OG 3.38Å; F34-S100 WeakPolarHBondContact CZ-OG 3.47Å; F34-L101 WeakPolarHBondContact CZ-O 3.37Å
35	P	87.8	Confident	94.3	Very high	68 Å²	68	63.9 Å²	63.9	44%	0.442	34%	0.344	S	S	.	.	S	Bend	trans	-76.8	14.3	175.5	34.4	-37.8	0	0	0	113.1	L140 I167	P35-L140 HydrophobicContact CG-CD1 3.78Å; P35-I167 HydrophobicContact CB-CD1 3.91Å; P35-I167 HydrophobicContact CB-CG1 4.26Å; P35-I167 HydrophobicContact CB-CG2 3.93Å; P35-I167 HydrophobicContact CG-CD1 3.47Å; P35-I167 VanDerWaalsContact CG-CD1 3.47Å; P35-I167 HydrophobicContact CG-CG1 4.17Å; P35-I167 WeakPolarHBondContact O-CG2 3.42Å
36	I	88.1	Confident	94.4	Very high	33 Å²	33	59.7 Å²	59.7	17%	0.169	32%	0.322	C	S	.	.	S	Bend	trans	-114.8	135.8	-173.5	-58.3	159.8	0	0	0	108	F34 Y165 I167	F34-I36 PolarHBondContact O-N 3.09Å; I36-Y165 HydrophobicContact CD1-CD1 3.26Å; I36-Y165 HydrophobicContact CD1-CE1 3.52Å; I36-Y165 HydrophobicContact CD1-CG 4.05Å; I36-Y165 HydrophobicContact CG1-CD1 4.28Å; I36-I167 HydrophobicContact CG1-CG1 4.13Å
37	E	85.2	Confident	94.4	Very high	174 Å²	174	60.1 Å²	60.1	81%	0.813	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-91.7	120.1	176.9	-69.3	172.7	-166.7	0	0	109.9
38	Y	92.9	Very high	94.4	Very high	57 Å²	57	61 Å²	61	22%	0.224	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-90.8	144.4	171.7	-61.5	-78.9	0	0	0	110.3	F34 W42 Y43	F34-Y38 HydrophobicContact CD2-CE2 4.18Å; Y38-W42 AromaticContact CD1-CD2 3.93Å; Y38-W42 HydrophobicContact CD1-CD2 3.93Å; Y38-W42 HydrophobicContact CD1-CE3 4.22Å; Y38-W42 HydrophobicContact CD1-CG 4.27Å; Y38-W42 HydrophobicContact CD1-CZ2 4.38Å; Y38-W42 HydrophobicContact CD2-CE3 4.28Å; Y38-W42 HydrophobicContact CD2-CH2 4.4Å; Y38-W42 HydrophobicContact CD2-CZ3 4.09Å; Y38-W42 HydrophobicContact CE1-CZ2 4.33Å; Y38-W42 HydrophobicContact CE2-CH2 4.46Å; Y38-W42 AromaticContact CG-CD2 3.99Å; Y38-W42 HydrophobicContact CG-CD2 3.99Å; Y38-W42 AromaticContact CG-CE3 3.81Å; Y38-W42 HydrophobicContact CG-CE3 3.81Å; Y38-W42 HydrophobicContact CG-CH2 4.48Å; Y38-W42 HydrophobicContact CG-CZ3 4.08Å; Y38-Y43 WeakPolarHBondContact O-CE2 3.38Å
39	P	94.8	Very high	94.4	Very high	80 Å²	80	58.1 Å²	58.1	52%	0.519	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-69.6	154	176	29.6	-34.6	0	0	0	111.4	S41 W42 Y43	P39-S41 PolarHBondContact O-N 3.49Å; P39-S41 VanDerWaalsContact O-N 3.16Å; P39-W42 HydrophobicContact CG-CB 3.99Å; P39-W42 VanDerWaalsContact O-CB 3.25Å; P39-W42 WeakPolarHBondContact O-CB 3.18Å; P39-W42 PolarHBondContact O-N 3.2Å; P39-Y43 WeakPolarHBondContact O-CD2 3.43Å
40	D	95.8	Very high	94.4	Very high	94 Å²	94	66.8 Å²	66.8	50%	0.503	36%	0.359	S	S	.	.	H	α-helix	trans	-54.2	-37.1	178.4	-79.7	-27.8	0	0	0	113.4	K27 W42 Y43 Q44	K27-D40 WeakPolarHBondContact CE-OD1 2.99Å; K27-D40 IonicContact NZ-OD1 3.59Å; K27-D40 PolarHBondContact NZ-OD1 3.09Å; D40-W42 PolarHBondContact O-N 3.31Å; D40-Y43 PolarHBondContact O-N 2.98Å; D40-Q44 WeakPolarHBondContact O-CG 3.32Å; D40-Q44 PolarHBondContact O-N 3.44Å; D40-Q44 VanDerWaalsContact O-N 3.07Å
41	S	96.9	Very high	94.4	Very high	72 Å²	72	71.2 Å²	71.2	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-32.1	176.8	61	0	0	0	0	112.5	P39 D45	P39-S41 PolarHBondContact O-N 3.49Å; P39-S41 VanDerWaalsContact O-N 3.16Å; S41-D45 WeakPolarHBondContact O-CB 3.4Å; S41-D45 PolarHBondContact O-N 2.83Å
42	W	97.3	Very high	94.6	Very high	37 Å²	37	69.5 Å²	69.5	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-67.1	-44.9	176.9	-178.2	88	0	0	0	111.1	Y38 P39 D40 Q44 D45 I46 L99	Y38-W42 AromaticContact CD1-CD2 3.93Å; Y38-W42 HydrophobicContact CD1-CD2 3.93Å; Y38-W42 HydrophobicContact CD1-CE3 4.22Å; Y38-W42 HydrophobicContact CD1-CG 4.27Å; Y38-W42 HydrophobicContact CD1-CZ2 4.38Å; Y38-W42 HydrophobicContact CD2-CE3 4.28Å; Y38-W42 HydrophobicContact CD2-CH2 4.4Å; Y38-W42 HydrophobicContact CD2-CZ3 4.09Å; Y38-W42 HydrophobicContact CE1-CZ2 4.33Å; Y38-W42 HydrophobicContact CE2-CH2 4.46Å; Y38-W42 AromaticContact CG-CD2 3.99Å; Y38-W42 HydrophobicContact CG-CD2 3.99Å; Y38-W42 AromaticContact CG-CE3 3.81Å; Y38-W42 HydrophobicContact CG-CE3 3.81Å; Y38-W42 HydrophobicContact CG-CH2 4.48Å; Y38-W42 HydrophobicContact CG-CZ3 4.08Å; P39-W42 HydrophobicContact CG-CB 3.99Å; P39-W42 VanDerWaalsContact O-CB 3.25Å; P39-W42 WeakPolarHBondContact O-CB 3.18Å; P39-W42 PolarHBondContact O-N 3.2Å; D40-W42 PolarHBondContact O-N 3.31Å; W42-Q44 VanDerWaalsContact C-N 3.34Å; W42-Q44 PolarHBondContact O-N 2.89Å; W42-D45 WeakPolarHBondContact O-CB 3.35Å; W42-D45 PolarHBondContact O-N 3.03Å; W42-I46 HydrophobicContact CD2-CG2 4.14Å; W42-I46 HydrophobicContact CE3-CD1 4.01Å; W42-I46 HydrophobicContact CE3-CG1 4.22Å; W42-I46 HydrophobicContact CH2-CD1 3.53Å; W42-I46 HydrophobicContact CH2-CG1 4.39Å; W42-I46 HydrophobicContact CH2-CG2 4.44Å; W42-I46 HydrophobicContact CZ2-CD1 4.19Å; W42-I46 HydrophobicContact CZ2-CG2 3.96Å; W42-I46 HydrophobicContact CZ3-CD1 3.42Å; W42-I46 VanDerWaalsContact CZ3-CD1 3.42Å; W42-I46 HydrophobicContact CZ3-CG1 4.13Å; W42-I46 WeakPolarHBondContact O-CG1 3.07Å; W42-I46 WeakPolarHBondContact O-CG2 3.33Å; W42-I46 PolarHBondContact O-N 2.82Å; W42-L99 HydrophobicContact CZ2-CB 4.3Å
43	Y	97.9	Very high	94.9	Very high	14 Å²	14	63.7 Å²	63.7	6%	0.055	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-39.9	176.8	-66.3	-76.2	0	0	0	112.3	V26 K27 C30 Y38 P39 D40 D45 T47	V26-Y43 HydrophobicContact CG1-CD1 3.87Å; V26-Y43 HydrophobicContact CG1-CE1 4.03Å; K27-Y43 HydrophobicContact CB-CE1 4.32Å; K27-Y43 HydrophobicContact CD-CD2 4.38Å; K27-Y43 HydrophobicContact CG-CD1 3.76Å; K27-Y43 HydrophobicContact CG-CD2 3.66Å; K27-Y43 HydrophobicContact CG-CE1 3.8Å; K27-Y43 HydrophobicContact CG-CE2 3.69Å; K27-Y43 HydrophobicContact CG-CG 3.68Å; C30-Y43 HydrophobicContact CB-CE1 3.99Å; C30-Y43 WeakPolarHBondContact CB-OH 3.32Å; Y38-Y43 WeakPolarHBondContact O-CE2 3.38Å; P39-Y43 WeakPolarHBondContact O-CD2 3.43Å; D40-Y43 PolarHBondContact O-N 2.98Å; Y43-D45 VanDerWaalsContact C-N 3.34Å; Y43-T47 WeakPolarHBondContact O-CB 3.27Å; Y43-T47 VanDerWaalsContact O-CG2 3.32Å; Y43-T47 WeakPolarHBondContact O-CG2 3.49Å; Y43-T47 PolarHBondContact O-N 3.05Å; Y43-T47 PolarHBondContact O-OG1 3.1Å
44	Q	97.4	Very high	95.1	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-44.9	173.1	-68.4	172.3	-1.5	0	0	111.2	I23 D40 W42 T47 S48	I23-Q44 HydrophobicContact CD1-CG 4.15Å; D40-Q44 WeakPolarHBondContact O-CG 3.32Å; D40-Q44 PolarHBondContact O-N 3.44Å; D40-Q44 VanDerWaalsContact O-N 3.07Å; W42-Q44 VanDerWaalsContact C-N 3.34Å; W42-Q44 PolarHBondContact O-N 2.89Å; Q44-T47 PolarHBondContact O-OG1 3.33Å; Q44-S48 WeakPolarHBondContact O-CB 3.26Å; Q44-S48 PolarHBondContact O-N 2.92Å; Q44-S48 VanDerWaalsContact O-N 3.08Å; Q44-S48 PolarHBondContact O-OG 2.95Å
45	D	97.1	Very high	95.5	Very high	65 Å²	65	61.1 Å²	61.1	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-51.4	-179.7	-113.2	21.4	0	0	0	111.6	S41 W42 Y43 T47 S48 N49 K51 F52	S41-D45 WeakPolarHBondContact O-CB 3.4Å; S41-D45 PolarHBondContact O-N 2.83Å; W42-D45 WeakPolarHBondContact O-CB 3.35Å; W42-D45 PolarHBondContact O-N 3.03Å; Y43-D45 VanDerWaalsContact C-N 3.34Å; D45-T47 VanDerWaalsContact C-N 3.28Å; D45-T47 PolarHBondContact O-N 3.45Å; D45-S48 PolarHBondContact O-N 3.22Å; D45-N49 WeakPolarHBondContact O-CA 3.25Å; D45-N49 WeakPolarHBondContact O-CB 3.49Å; D45-N49 PolarHBondContact O-N 3.17Å; D45-K51 IonicContact OD2-NZ 2.81Å; D45-K51 PolarHBondContact OD2-NZ 3.23Å; D45-F52 HydrophobicContact CB-CE2 3.85Å; D45-F52 WeakPolarHBondContact O-CD2 3.18Å
46	I	97.9	Very high	96	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-71.3	-21.1	-174.8	63.8	151.2	0	0	0	113.5	L18 V26 W42 F52 S54 V68	L18-I46 HydrophobicContact CD1-CD1 4.38Å; V26-I46 HydrophobicContact CG1-CD1 4.03Å; W42-I46 HydrophobicContact CD2-CG2 4.14Å; W42-I46 HydrophobicContact CE3-CD1 4.01Å; W42-I46 HydrophobicContact CE3-CG1 4.22Å; W42-I46 HydrophobicContact CH2-CD1 3.53Å; W42-I46 HydrophobicContact CH2-CG1 4.39Å; W42-I46 HydrophobicContact CH2-CG2 4.44Å; W42-I46 HydrophobicContact CZ2-CD1 4.19Å; W42-I46 HydrophobicContact CZ2-CG2 3.96Å; W42-I46 HydrophobicContact CZ3-CD1 3.42Å; W42-I46 VanDerWaalsContact CZ3-CD1 3.42Å; W42-I46 HydrophobicContact CZ3-CG1 4.13Å; W42-I46 WeakPolarHBondContact O-CG1 3.07Å; W42-I46 WeakPolarHBondContact O-CG2 3.33Å; W42-I46 PolarHBondContact O-N 2.82Å; I46-F52 HydrophobicContact CG2-CD2 4.32Å; I46-F52 HydrophobicContact CG2-CE2 4.21Å; I46-F52 HydrophobicContact CG2-CZ 4.39Å; I46-S54 WeakPolarHBondContact O-CB 3.08Å; I46-S54 PolarHBondContact O-OG 2.78Å; I46-V68 HydrophobicContact CB-CG1 3.89Å; I46-V68 HydrophobicContact CB-CG2 4.49Å; I46-V68 HydrophobicContact CD1-CG2 3.95Å; I46-V68 HydrophobicContact CG2-CG1 3.64Å
47	T	97.9	Very high	96.5	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-94.6	-20.6	179.8	53.9	0	0	0	0	113.5	L18 C19 I23 Y43 Q44 D45	L18-T47 HydrophobicContact CB-CG2 4.34Å; L18-T47 HydrophobicContact CD1-CG2 4.39Å; C19-T47 CarbonylContact C-O 3.56Å; C19-T47 WeakPolarHBondContact CA-O 3.06Å; C19-T47 WeakPolarHBondContact O-CB 3.04Å; I23-T47 HydrophobicContact CG1-CG2 3.84Å; I23-T47 VanDerWaalsContact CG1-OG1 3.29Å; I23-T47 WeakPolarHBondContact CG1-OG1 3.37Å; Y43-T47 WeakPolarHBondContact O-CB 3.27Å; Y43-T47 VanDerWaalsContact O-CG2 3.32Å; Y43-T47 WeakPolarHBondContact O-CG2 3.49Å; Y43-T47 PolarHBondContact O-N 3.05Å; Y43-T47 PolarHBondContact O-OG1 3.1Å; Q44-T47 PolarHBondContact O-OG1 3.33Å; D45-T47 VanDerWaalsContact C-N 3.28Å; D45-T47 PolarHBondContact O-N 3.45Å
48	S	96.3	Very high	97.1	Very high	67 Å²	67	48.4 Å²	48.4	47%	0.469	25%	0.249	S	C	.	.	H	α-helix	trans	-121.9	-22.9	-170.5	-50.6	0	0	0	0	113.6	H20 Q44 D45	H20-S48 PolarHBondContact ND1-OG 3.23Å; Q44-S48 WeakPolarHBondContact O-CB 3.26Å; Q44-S48 PolarHBondContact O-N 2.92Å; Q44-S48 VanDerWaalsContact O-N 3.08Å; Q44-S48 PolarHBondContact O-OG 2.95Å; D45-S48 PolarHBondContact O-N 3.22Å
49	N	97.1	Very high	97.3	Very high	59 Å²	59	46.5 Å²	46.5	32%	0.316	24%	0.241	S	C	.	.			trans	-93.2	117.5	-175.6	-165.4	-27.5	0	0	0	112.1	D45 K51 F52	D45-N49 WeakPolarHBondContact O-CA 3.25Å; D45-N49 WeakPolarHBondContact O-CB 3.49Å; D45-N49 PolarHBondContact O-N 3.17Å; N49-K51 HydrophobicContact CB-CG 4.39Å; N49-K51 WeakPolarHBondContact ND2-CD 3.4Å; N49-K51 WeakPolarHBondContact ND2-CE 3.13Å; N49-K51 PolarHBondContact O-N 2.85Å; N49-K51 VanDerWaalsContact O-N 3.08Å; N49-K51 WeakPolarHBondContact OD1-CB 3.49Å; N49-K51 WeakPolarHBondContact OD1-CG 3.41Å; N49-K51 PolarHBondContact OD1-N 3.42Å; N49-F52 HydrophobicContact CB-CD2 4.01Å; N49-F52 HydrophobicContact CB-CE2 4.23Å; N49-F52 PolarHBondContact O-N 3.13Å; N49-F52 VanDerWaalsContact O-N 3.16Å
50	K	94.8	Very high	97.2	Very high	206 Å²	206	51.2 Å²	51.2	90%	0.896	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.7	180	-61.9	-174.2	179.5	-177.8	0	114.8	F52	K50-F52 PolarHBondContact O-N 2.8Å
51	K	96.3	Very high	97	Very high	94 Å²	94	49.7 Å²	49.7	41%	0.409	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.2	171.6	79.9	-174.8	175.8	-174.3	0	112.1	D45 N49	D45-K51 IonicContact OD2-NZ 2.81Å; D45-K51 PolarHBondContact OD2-NZ 3.23Å; N49-K51 HydrophobicContact CB-CG 4.39Å; N49-K51 WeakPolarHBondContact ND2-CD 3.4Å; N49-K51 WeakPolarHBondContact ND2-CE 3.13Å; N49-K51 PolarHBondContact O-N 2.85Å; N49-K51 VanDerWaalsContact O-N 3.08Å; N49-K51 WeakPolarHBondContact OD1-CB 3.49Å; N49-K51 WeakPolarHBondContact OD1-CG 3.41Å; N49-K51 PolarHBondContact OD1-N 3.42Å
52	F	98.3	Very high	97	Very high	19 Å²	19	51.7 Å²	51.7	8%	0.083	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.8	179.5	-61.1	-69.3	0	0	0	111.5	D45 I46 N49 K50 S54 V68 A69 E70 L99	D45-F52 HydrophobicContact CB-CE2 3.85Å; D45-F52 WeakPolarHBondContact O-CD2 3.18Å; I46-F52 HydrophobicContact CG2-CD2 4.32Å; I46-F52 HydrophobicContact CG2-CE2 4.21Å; I46-F52 HydrophobicContact CG2-CZ 4.39Å; N49-F52 HydrophobicContact CB-CD2 4.01Å; N49-F52 HydrophobicContact CB-CE2 4.23Å; N49-F52 PolarHBondContact O-N 3.13Å; N49-F52 VanDerWaalsContact O-N 3.16Å; K50-F52 PolarHBondContact O-N 2.8Å; F52-S54 WeakPolarHBondContact CB-OG 3.5Å; F52-S54 PolarHBondContact O-N 2.95Å; F52-V68 HydrophobicContact CD1-CG1 4.49Å; F52-A69 CarbonylContact C-O 3.32Å; F52-A69 WeakPolarHBondContact CA-O 3.49Å; F52-E70 HydrophobicContact CD1-CB 3.84Å; F52-E70 HydrophobicContact CD1-CG 4.29Å; F52-E70 HydrophobicContact CE1-CB 3.94Å; F52-E70 HydrophobicContact CE1-CG 4.25Å; F52-L99 HydrophobicContact CD1-CD1 4.14Å; F52-L99 HydrophobicContact CD1-CD2 4.47Å; F52-L99 HydrophobicContact CE1-CD1 4.06Å; F52-L99 HydrophobicContact CE1-CD2 3.77Å; F52-L99 HydrophobicContact CZ-CD2 4.36Å
53	F	98.6	Very high	97	Very high	12 Å²	12	50.7 Å²	50.7	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	94.2	159.1	-178.2	-95.4	0	0	0	108.1	F17 L55 I67 V68 A69 L120 H123	F17-F53 AromaticContact CE1-CD2 3.64Å; F17-F53 HydrophobicContact CE1-CD2 3.64Å; F17-F53 AromaticContact CE1-CE2 3.7Å; F17-F53 HydrophobicContact CE1-CE2 3.7Å; F17-F53 HydrophobicContact CE1-CG 4.41Å; F17-F53 HydrophobicContact CZ-CD2 4.05Å; F17-F53 AromaticContact CZ-CE2 3.78Å; F17-F53 HydrophobicContact CZ-CE2 3.78Å; F53-L55 HydrophobicContact CD1-CB 4.36Å; F53-L55 HydrophobicContact CE1-CB 3.75Å; F53-L55 HydrophobicContact CE1-CD2 4.08Å; F53-L55 HydrophobicContact CZ-CB 4Å; F53-L55 HydrophobicContact CZ-CD2 3.85Å; F53-L55 HydrophobicContact CZ-CG 4.38Å; F53-I67 HydrophobicContact CD1-CG2 4.39Å; F53-I67 HydrophobicContact CE1-CG2 4.02Å; F53-V68 CarbonylContact O-C 3.58Å; F53-V68 WeakPolarHBondContact O-CA 3.44Å; F53-A69 PolarHBondContact N-O 3.08Å; F53-A69 PolarHBondContact O-N 3.31Å; F53-L120 HydrophobicContact CB-CD1 4.4Å; F53-L120 HydrophobicContact CD1-CB 4.3Å; F53-L120 HydrophobicContact CD1-CD1 3.67Å; F53-L120 HydrophobicContact CE1-CB 3.97Å; F53-L120 HydrophobicContact CE1-CD1 4.15Å; F53-L120 HydrophobicContact CG-CD1 4.13Å; F53-H123 HydrophobicContact CD2-CB 3.85Å; F53-H123 AromaticContact CD2-CD2 3.28Å; F53-H123 WeakPolarHBondContact CD2-CD2 3.44Å; F53-H123 AromaticContact CD2-CE1 3.81Å; F53-H123 AromaticContact CD2-CG 3.32Å; F53-H123 AromaticContact CD2-ND1 3.67Å; F53-H123 AromaticContact CD2-NE2 3.61Å; F53-H123 HydrophobicContact CE2-CB 3.43Å; F53-H123 VanDerWaalsContact CE2-CB 3.43Å; F53-H123 AromaticContact CE2-CD2 3.85Å; F53-H123 AromaticContact CE2-CG 3.36Å; F53-H123 AromaticContact CE2-ND1 3.69Å; F53-H123 AromaticContact CG-CD2 3.86Å; F53-H123 HydrophobicContact CZ-CB 3.91Å
54	S	98.7	Very high	97	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	91.2	-176.4	-65.5	0	0	0	0	110.6	F17 L18 I46 F52	F17-S54 CarbonylContact C-O 3.6Å; F17-S54 VanDerWaalsContact CA-O 3.29Å; F17-S54 WeakPolarHBondContact CA-O 3.39Å; F17-S54 WeakPolarHBondContact CD1-O 3.39Å; L18-S54 PolarHBondContact N-O 2.98Å; I46-S54 WeakPolarHBondContact O-CB 3.08Å; I46-S54 PolarHBondContact O-OG 2.78Å; F52-S54 WeakPolarHBondContact CB-OG 3.5Å; F52-S54 PolarHBondContact O-N 2.95Å
55	L	98.8	Very high	97.1	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.2	-171.8	-170.8	76	0	0	0	111.1	L15 F17 F53 M66 I67 L116	L15-L55 HydrophobicContact CB-CD1 4.29Å; L15-L55 HydrophobicContact CB-CD2 4.43Å; L15-L55 HydrophobicContact CD1-CD2 4.26Å; L15-L55 HydrophobicContact CD2-CD2 4.23Å; F17-L55 HydrophobicContact CD1-CD1 4.37Å; F17-L55 HydrophobicContact CE1-CD1 4.35Å; F17-L55 HydrophobicContact CZ-CD1 4.48Å; F53-L55 HydrophobicContact CD1-CB 4.36Å; F53-L55 HydrophobicContact CE1-CB 3.75Å; F53-L55 HydrophobicContact CE1-CD2 4.08Å; F53-L55 HydrophobicContact CZ-CB 4Å; F53-L55 HydrophobicContact CZ-CD2 3.85Å; F53-L55 HydrophobicContact CZ-CG 4.38Å; L55-M66 CarbonylContact O-C 3.49Å; L55-M66 WeakPolarHBondContact O-CA 3.49Å; L55-M66 WeakPolarHBondContact O-CB 3.46Å; L55-I67 HydrophobicContact CB-CG2 4Å; L55-I67 PolarHBondContact N-O 2.8Å; L55-I67 PolarHBondContact O-N 2.93Å; L55-L116 HydrophobicContact CD2-CD2 4.31Å; L55-L116 HydrophobicContact CG-CD2 4.49Å
56	A	98.8	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.1	173.7	0	0	0	0	0	111.5	L15 R16 L18 I63 G65	L15-A56 WeakPolarHBondContact CA-O 3.38Å; R16-A56 PolarHBondContact N-O 3.04Å; R16-A56 PolarHBondContact O-N 2.91Å; L18-A56 HydrophobicContact CD2-CB 3.74Å; L18-A56 HydrophobicContact CG-CB 4.47Å; A56-I63 HydrophobicContact CB-CD1 4.32Å; A56-I63 HydrophobicContact CB-CG1 4.18Å; A56-I63 HydrophobicContact CB-CG2 4.13Å; A56-G65 CarbonylContact C-O 3.46Å; A56-G65 WeakPolarHBondContact CA-O 3.25Å
57	A	98.6	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125	161.7	0	0	0	0	0	108.8	V13 Q14 L15 V64 G65 I112 L116	V13-A57 HydrophobicContact CG1-CB 3.82Å; Q14-A57 CarbonylContact O-C 3.56Å; Q14-A57 WeakPolarHBondContact O-CA 3.44Å; L15-A57 HydrophobicContact CD2-CB 4.02Å; A57-V64 HydrophobicContact CB-CG2 4.44Å; A57-V64 WeakPolarHBondContact O-CG2 3.49Å; A57-V64 PolarHBondContact O-N 3.24Å; A57-G65 PolarHBondContact N-O 3.17Å; A57-G65 PolarHBondContact O-N 2.91Å; A57-I112 HydrophobicContact CB-CG2 3.59Å; A57-L116 HydrophobicContact CB-CD1 4.39Å; A57-L116 HydrophobicContact CB-CD2 4.05Å; A57-L116 HydrophobicContact CB-CG 4.34Å
58	T	98.1	Very high	97.2	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.7	-179.4	65.6	0	0	0	0	111.2	V13 Q14 R16 N62 I63	V13-T58 CarbonylContact C-O 3.47Å; V13-T58 VanDerWaalsContact CA-O 3.26Å; V13-T58 WeakPolarHBondContact CA-O 3.36Å; Q14-T58 PolarHBondContact N-O 3.34Å; Q14-T58 PolarHBondContact O-N 3.28Å; Q14-T58 PolarHBondContact O-OG1 2.87Å; R16-T58 HydrophobicContact CG-CG2 4.11Å; T58-N62 CarbonylContact C-O 3.6Å; T58-N62 WeakPolarHBondContact CA-O 3.24Å; T58-N62 WeakPolarHBondContact CB-O 3.27Å; T58-I63 HydrophobicContact CG2-CG1 4.22Å
59	F	96.4	Very high	97.4	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.075	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.4	172.4	178	-98.7	0	0	0	108	P6 A9 E12 V13 G61 N62 V64 F107	P6-F59 HydrophobicContact CG-CZ 4.35Å; A9-F59 HydrophobicContact CB-CD2 4.49Å; A9-F59 HydrophobicContact CB-CE2 4.12Å; E12-F59 HydrophobicContact CB-CD2 3.87Å; E12-F59 HydrophobicContact CB-CE2 3.65Å; E12-F59 HydrophobicContact CG-CE2 4.37Å; E12-F59 WeakPolarHBondContact OE2-CE2 3.36Å; V13-F59 HydrophobicContact CG2-CB 4.43Å; F59-G61 PolarHBondContact O-N 2.85Å; F59-N62 PolarHBondContact N-O 3.35Å; F59-N62 PolarHBondContact O-N 2.86Å; F59-N62 VanDerWaalsContact O-N 3.11Å; F59-V64 HydrophobicContact CB-CG1 3.82Å; F59-V64 HydrophobicContact CB-CG2 3.96Å; F59-F107 HydrophobicContact CB-CE1 3.93Å; F59-F107 HydrophobicContact CB-CZ 4.3Å; F59-F107 AromaticContact CD1-CE1 3.61Å; F59-F107 HydrophobicContact CD1-CE1 3.61Å; F59-F107 AromaticContact CD1-CZ 3.57Å; F59-F107 HydrophobicContact CD1-CZ 3.57Å; F59-F107 HydrophobicContact CD2-CE1 4.22Å; F59-F107 HydrophobicContact CE1-CE1 4.12Å; F59-F107 HydrophobicContact CE1-CZ 4.08Å; F59-F107 AromaticContact CG-CE1 3.66Å; F59-F107 HydrophobicContact CG-CE1 3.66Å; F59-F107 HydrophobicContact CG-CZ 4.05Å
60	R	93.4	Very high	97.4	Very high	179 Å²	179	37.3 Å²	37.3	68%	0.675	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	42	-175	-58.3	-179.7	179.4	179.7	-1.4	113	E12 N62	E12-R60 IonicContact OE2-NE 3.62Å; E12-R60 IonicContact OE2-NH2 3.81Å; R60-N62 VanDerWaalsContact C-N 3.29Å; R60-N62 PolarHBondContact O-N 3.11Å
61	G	91.4	Very high	97.6	Very high	62 Å²	62	29.4 Å²	29.4	64%	0.639	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-15.5	178.7	0	0	0	0	0	115.7	F59	F59-G61 PolarHBondContact O-N 2.85Å
62	N	96	Very high	97.6	Very high	114 Å²	114	25.4 Å²	25.4	61%	0.61	13%	0.134	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.1	-179.5	-61.4	-59.9	0	0	0	111.4	T58 F59 R60 V64	T58-N62 CarbonylContact C-O 3.6Å; T58-N62 WeakPolarHBondContact CA-O 3.24Å; T58-N62 WeakPolarHBondContact CB-O 3.27Å; F59-N62 PolarHBondContact N-O 3.35Å; F59-N62 PolarHBondContact O-N 2.86Å; F59-N62 VanDerWaalsContact O-N 3.11Å; R60-N62 VanDerWaalsContact C-N 3.29Å; R60-N62 PolarHBondContact O-N 3.11Å; N62-V64 PolarHBondContact O-N 2.7Å
63	I	98.3	Very high	97.6	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.082	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.7	173.6	-60.5	174	0	0	0	108.8	L18 D22 V26 L29 A56 T58	L18-I63 HydrophobicContact CD2-CD1 3.87Å; D22-I63 HydrophobicContact CB-CD1 4.11Å; V26-I63 HydrophobicContact CG2-CD1 4.43Å; L29-I63 HydrophobicContact CD1-CB 3.86Å; L29-I63 HydrophobicContact CD1-CG2 3.59Å; A56-I63 HydrophobicContact CB-CD1 4.32Å; A56-I63 HydrophobicContact CB-CG1 4.18Å; A56-I63 HydrophobicContact CB-CG2 4.13Å; T58-I63 HydrophobicContact CG2-CG1 4.22Å
64	V	98	Very high	97.5	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.036	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-8.5	178.1	-64.5	0	0	0	0	113	A57 F59 N62 V103 V104 F107 I112	A57-V64 HydrophobicContact CB-CG2 4.44Å; A57-V64 WeakPolarHBondContact O-CG2 3.49Å; A57-V64 PolarHBondContact O-N 3.24Å; F59-V64 HydrophobicContact CB-CG1 3.82Å; F59-V64 HydrophobicContact CB-CG2 3.96Å; N62-V64 PolarHBondContact O-N 2.7Å; V64-V103 CarbonylContact O-C 3.58Å; V64-V103 WeakPolarHBondContact O-CA 3.46Å; V64-V103 WeakPolarHBondContact O-CG1 3.46Å; V64-V104 HydrophobicContact CB-CG2 4.46Å; V64-V104 WeakPolarHBondContact O-CG2 3.35Å; V64-V104 PolarHBondContact O-N 2.79Å; V64-F107 HydrophobicContact CB-CB 4.48Å; V64-F107 HydrophobicContact CB-CD1 4.26Å; V64-F107 HydrophobicContact CB-CD2 4.04Å; V64-F107 HydrophobicContact CB-CE2 4.34Å; V64-F107 HydrophobicContact CB-CG 4Å; V64-F107 HydrophobicContact CG1-CD1 4.27Å; V64-F107 HydrophobicContact CG1-CD2 3.87Å; V64-F107 HydrophobicContact CG1-CE1 4.07Å; V64-F107 HydrophobicContact CG1-CE2 3.66Å; V64-F107 HydrophobicContact CG1-CG 4.18Å; V64-F107 HydrophobicContact CG1-CZ 3.77Å; V64-F107 HydrophobicContact CG2-CD1 4.35Å; V64-F107 HydrophobicContact CG2-CG 4.5Å; V64-I112 HydrophobicContact CG2-CD1 3.94Å
65	G	98.4	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	163.6	170.5	0	0	0	0	0	111.2	A56 A57 G102	A56-G65 CarbonylContact C-O 3.46Å; A56-G65 WeakPolarHBondContact CA-O 3.25Å; A57-G65 PolarHBondContact N-O 3.17Å; A57-G65 PolarHBondContact O-N 2.91Å; G65-G102 CarbonylContact C-O 3.6Å; G65-G102 WeakPolarHBondContact CA-O 3.43Å
66	M	98.7	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	157.3	173.5	81.3	-168.5	-176.4	0	0	111.6	L18 V26 C30 W33 L55 V68 S100 L101 G102	L18-M66 HydrophobicContact CD1-SD 4.18Å; V26-M66 HydrophobicContact CG1-CE 3.84Å; V26-M66 HydrophobicContact CG1-SD 3.74Å; V26-M66 HydrophobicContact CG2-SD 4.27Å; C30-M66 WeakPolarHBondContact SG-CE 3.41Å; W33-M66 HydrophobicContact CH2-CG 4.25Å; W33-M66 HydrophobicContact CZ3-CE 3.97Å; W33-M66 HydrophobicContact CZ3-CG 3.75Å; W33-M66 HydrophobicContact CZ3-SD 3.97Å; L55-M66 CarbonylContact O-C 3.49Å; L55-M66 WeakPolarHBondContact O-CA 3.49Å; L55-M66 WeakPolarHBondContact O-CB 3.46Å; M66-V68 HydrophobicContact CE-CG2 4.31Å; M66-V68 HydrophobicContact CG-CG2 4.47Å; M66-V68 HydrophobicContact SD-CG2 4.41Å; M66-S100 WeakPolarHBondContact CE-OG 3.34Å; M66-L101 WeakPolarHBondContact O-CA 3.39Å; M66-G102 PolarHBondContact N-O 2.84Å; M66-G102 PolarHBondContact O-N 2.81Å
67	I	98.8	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.5	164	-168.6	167.3	0	0	0	109	F53 L55 I98 S100 L101 L116 L117 L120	F53-I67 HydrophobicContact CD1-CG2 4.39Å; F53-I67 HydrophobicContact CE1-CG2 4.02Å; L55-I67 HydrophobicContact CB-CG2 4Å; L55-I67 PolarHBondContact N-O 2.8Å; L55-I67 PolarHBondContact O-N 2.93Å; I67-I98 HydrophobicContact CD1-CD1 4.31Å; I67-I98 HydrophobicContact CD1-CG2 4.42Å; I67-I98 HydrophobicContact CG1-CG2 4.15Å; I67-S100 CarbonylContact C-O 3.59Å; I67-S100 WeakPolarHBondContact CA-O 3.37Å; I67-L101 HydrophobicContact CB-CD1 3.94Å; I67-L101 HydrophobicContact CD1-CD1 4.24Å; I67-L101 HydrophobicContact CG1-CB 4.47Å; I67-L101 HydrophobicContact CG1-CD1 4.17Å; I67-L116 HydrophobicContact CB-CB 4.07Å; I67-L116 HydrophobicContact CG2-CB 3.96Å; I67-L116 HydrophobicContact CG2-CD2 4.07Å; I67-L117 HydrophobicContact CD1-CD1 4.26Å; I67-L120 HydrophobicContact CD1-CB 3.98Å; I67-L120 HydrophobicContact CD1-CD2 3.66Å; I67-L120 HydrophobicContact CD1-CG 4.46Å; I67-L120 HydrophobicContact CG1-CD2 4.46Å
68	V	98.8	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.3	175.5	-178.9	0	0	0	0	107.8	L18 I46 F52 F53 M66 L99 S100	L18-V68 HydrophobicContact CD1-CG2 4.42Å; I46-V68 HydrophobicContact CB-CG1 3.89Å; I46-V68 HydrophobicContact CB-CG2 4.49Å; I46-V68 HydrophobicContact CD1-CG2 3.95Å; I46-V68 HydrophobicContact CG2-CG1 3.64Å; F52-V68 HydrophobicContact CD1-CG1 4.49Å; F53-V68 CarbonylContact O-C 3.58Å; F53-V68 WeakPolarHBondContact O-CA 3.44Å; M66-V68 HydrophobicContact CE-CG2 4.31Å; M66-V68 HydrophobicContact CG-CG2 4.47Å; M66-V68 HydrophobicContact SD-CG2 4.41Å; V68-L99 HydrophobicContact CB-CB 4.44Å; V68-L99 HydrophobicContact CG1-CB 4.21Å; V68-L99 HydrophobicContact CG1-CD1 4.36Å; V68-L99 PolarHBondContact O-N 2.89Å; V68-S100 PolarHBondContact N-O 3.48Å; V68-S100 PolarHBondContact O-N 3.27Å
69	A	98.8	Very high	96.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.6	179	0	0	0	0	0	112.5	F52 F53 Y97 L120	F52-A69 CarbonylContact C-O 3.32Å; F52-A69 WeakPolarHBondContact CA-O 3.49Å; F53-A69 PolarHBondContact N-O 3.08Å; F53-A69 PolarHBondContact O-N 3.31Å; A69-Y97 CarbonylContact C-O 3.58Å; A69-Y97 WeakPolarHBondContact CA-O 3.38Å; A69-Y97 WeakPolarHBondContact CB-O 3.42Å; A69-L120 HydrophobicContact CB-CD1 3.66Å; A69-L120 HydrophobicContact CB-CD2 3.79Å; A69-L120 HydrophobicContact CB-CG 4.4Å
70	E	98.4	Very high	96.7	Very high	35 Å²	35	55.1 Å²	55.1	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.2	172	-172.6	-175.8	-179	0	0	109.5	F52 K72 A96 Y97 L99	F52-E70 HydrophobicContact CD1-CB 3.84Å; F52-E70 HydrophobicContact CD1-CG 4.29Å; F52-E70 HydrophobicContact CE1-CB 3.94Å; F52-E70 HydrophobicContact CE1-CG 4.25Å; E70-K72 HydrophobicContact CG-CB 4.28Å; E70-A96 WeakPolarHBondContact O-CA 3.35Å; E70-Y97 PolarHBondContact N-O 2.69Å; E70-Y97 PolarHBondContact O-N 3.41Å; E70-L99 HydrophobicContact CB-CD1 3.91Å
71	I	98.3	Very high	96.9	Very high	39 Å²	39	46.6 Å²	46.6	20%	0.2	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.1	167.3	-57.2	175.1	0	0	0	107.3	Q94 V95 A96 I124 A128	I71-Q94 HydrophobicContact CG2-CB 4.1Å; I71-Q94 HydrophobicContact CG2-CG 4.48Å; I71-V95 WeakPolarHBondContact CA-O 3.19Å; I71-A96 HydrophobicContact CG1-CB 4.28Å; I71-I124 HydrophobicContact CD1-CG1 3.87Å; I71-I124 HydrophobicContact CG1-CG1 4.35Å; I71-A128 HydrophobicContact CD1-CB 4.32Å; I71-A128 HydrophobicContact CG2-CB 4.24Å
72	K	97.3	Very high	97	Very high	11 Å²	11	45.9 Å²	45.9	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.7	-175.6	61.6	-178.1	-178.9	172.4	0	111.8	E70 K76 Q94 V95 Y136	E70-K72 HydrophobicContact CG-CB 4.28Å; K72-K76 HydrophobicContact CB-CB 4.28Å; K72-K76 HydrophobicContact CB-CD 4.23Å; K72-K76 HydrophobicContact CD-CB 3.92Å; K72-K76 WeakPolarHBondContact CE-O 3.43Å; K72-K76 HydrophobicContact CG-CB 4.31Å; K72-K76 PolarHBondContact NZ-O 3.31Å; K72-Q94 CarbonylContact O-C 3.54Å; K72-Q94 VanDerWaalsContact O-CA 3.24Å; K72-Q94 WeakPolarHBondContact O-CA 3.44Å; K72-V95 HydrophobicContact CG-CG2 4.14Å; K72-V95 PolarHBondContact N-O 2.98Å; K72-V95 PolarHBondContact O-N 2.73Å; K72-Y136 WeakPolarHBondContact CE-OH 3.48Å; K72-Y136 PolarHBondContact NZ-OH 3.23Å; K72-Y136 VanDerWaalsContact NZ-OH 3.17Å
73	S	97.3	Very high	97	Very high	29 Å²	29	43.6 Å²	43.6	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	145.4	172	169.4	0	0	0	0	110.3	T75 K76 V91	S73-T75 PolarHBondContact O-N 2.88Å; S73-T75 PolarHBondContact OG-N 3.14Å; S73-T75 PolarHBondContact OG-OG1 3.18Å; S73-K76 WeakPolarHBondContact O-CB 3.4Å; S73-K76 PolarHBondContact O-N 3.07Å; S73-V91 PolarHBondContact OG-O 3.31Å
74	R	96.2	Very high	96.9	Very high	44 Å²	44	43 Å²	43	17%	0.166	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-52.5	-26.7	173.7	67.3	169.2	-62.1	171.9	16.2	113.3	K76 V77 L85 A86 F89 P90 T93	R74-K76 PolarHBondContact O-N 2.74Å; R74-V77 WeakPolarHBondContact O-CB 3.32Å; R74-V77 WeakPolarHBondContact O-CG2 3.21Å; R74-V77 PolarHBondContact O-N 2.88Å; R74-L85 HydrophobicContact CB-CD1 4.23Å; R74-L85 PolarHBondContact NH2-O 3.18Å; R74-A86 VanDerWaalsContact CZ-O 3.28Å; R74-A86 PolarHBondContact NH1-O 2.68Å; R74-A86 PolarHBondContact NH2-O 3.26Å; R74-F89 PolarHBondContact NH1-O 3.34Å; R74-P90 WeakPolarHBondContact CD-O 3.49Å; R74-T93 WeakPolarHBondContact CB-O 3.42Å; R74-T93 PolarHBondContact N-O 2.71Å
75	T	95.3	Very high	96.8	Very high	96 Å²	96	43 Å²	43	59%	0.589	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-70.4	-17.8	177.9	59.2	0	0	0	0	113.5	S73 V91	S73-T75 PolarHBondContact O-N 2.88Å; S73-T75 PolarHBondContact OG-N 3.14Å; S73-T75 PolarHBondContact OG-OG1 3.18Å; T75-V91 HydrophobicContact CG2-CG1 3.81Å
76	K	96.4	Very high	96.7	Very high	130 Å²	130	43.1 Å²	43.1	57%	0.565	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-96.2	7.9	176.6	-61.4	-176	175	-177.7	0	113	K72 S73 R74	K72-K76 HydrophobicContact CB-CB 4.28Å; K72-K76 HydrophobicContact CB-CD 4.23Å; K72-K76 HydrophobicContact CD-CB 3.92Å; K72-K76 WeakPolarHBondContact CE-O 3.43Å; K72-K76 HydrophobicContact CG-CB 4.31Å; K72-K76 PolarHBondContact NZ-O 3.31Å; S73-K76 WeakPolarHBondContact O-CB 3.4Å; S73-K76 PolarHBondContact O-N 3.07Å; R74-K76 PolarHBondContact O-N 2.74Å
77	V	96.4	Very high	96.3	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.145	26%	0.259	C	S	.	.	S	Bend	trans	-70.4	140.5	170.2	178.9	0	0	0	0	108.3	R74 D81 V95	R74-V77 WeakPolarHBondContact O-CB 3.32Å; R74-V77 WeakPolarHBondContact O-CG2 3.21Å; R74-V77 PolarHBondContact O-N 2.88Å; V77-D81 HydrophobicContact CG1-CB 3.58Å; V77-D81 WeakPolarHBondContact CG1-O 3.38Å; V77-V95 HydrophobicContact CG2-CG1 4.49Å; V77-V95 HydrophobicContact CG2-CG2 3.48Å; V77-V95 VanDerWaalsContact CG2-CG2 3.48Å
78	H	93.8	Very high	96	Very high	96 Å²	96	52.3 Å²	52.3	44%	0.444	29%	0.286	S	S	.	.			trans	-66.3	157.3	178.4	-70.9	-92.3	0	0	0	110.4	E80 D81 G82	H78-E80 VanDerWaalsContact C-N 3.27Å; H78-E80 HydrophobicContact CB-CG 4.28Å; H78-E80 WeakPolarHBondContact CB-OE1 3.29Å; H78-E80 VanDerWaalsContact CB-OE2 3.3Å; H78-E80 WeakPolarHBondContact CB-OE2 3.46Å; H78-E80 IonicContact CG-OE1 2.73Å; H78-E80 PolarHBondContact O-N 3.07Å; H78-D81 PolarHBondContact O-N 3.43Å; H78-D81 VanDerWaalsContact O-N 3.12Å; H78-G82 PolarHBondContact O-N 3.16Å
79	K	94.6	Very high	95.9	Very high	202 Å²	202	53.8 Å²	53.8	88%	0.878	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-64.8	-35.6	-169.6	-72	-175.3	177.9	-179.9	0	112.1	D81 G82	K79-D81 PolarHBondContact O-N 2.65Å; K79-G82 PolarHBondContact O-N 3.07Å
80	E	95.8	Very high	95.7	Very high	74 Å²	74	57.3 Å²	57.3	35%	0.346	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-55.5	-35.8	176.1	58	-89.6	-150.9	0	0	112.2	H78 H159 L161 Y164	H78-E80 VanDerWaalsContact C-N 3.27Å; H78-E80 HydrophobicContact CB-CG 4.28Å; H78-E80 WeakPolarHBondContact CB-OE1 3.29Å; H78-E80 VanDerWaalsContact CB-OE2 3.3Å; H78-E80 WeakPolarHBondContact CB-OE2 3.46Å; H78-E80 IonicContact CG-OE1 2.73Å; H78-E80 PolarHBondContact O-N 3.07Å; E80-H159 PolarHBondContact O-CE1 3.49Å; E80-H159 PolarHBondContact O-ND1 3.17Å; E80-L161 HydrophobicContact CB-CD2 4.09Å; E80-L161 HydrophobicContact CG-CD2 4.41Å; E80-Y164 HydrophobicContact CG-CE2 4.41Å
81	D	97.1	Very high	95.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-104.2	15.7	-176.3	-63.7	-48.9	0	0	0	113.1	V77 H78 K79 D83 I84 Y136 H138 T176	V77-D81 HydrophobicContact CG1-CB 3.58Å; V77-D81 WeakPolarHBondContact CG1-O 3.38Å; H78-D81 PolarHBondContact O-N 3.43Å; H78-D81 VanDerWaalsContact O-N 3.12Å; K79-D81 PolarHBondContact O-N 2.65Å; D81-D83 PolarHBondContact O-N 2.9Å; D81-I84 HydrophobicContact CB-CD1 3.62Å; D81-I84 HydrophobicContact CB-CG1 4.02Å; D81-I84 WeakPolarHBondContact O-CB 3.42Å; D81-I84 VanDerWaalsContact O-CG1 3.28Å; D81-I84 WeakPolarHBondContact O-CG1 3.45Å; D81-I84 PolarHBondContact O-N 3.26Å; D81-Y136 HydrophobicContact CB-CE2 4.44Å; D81-H138 IonicContact OD1-NE2 3.88Å; D81-H138 IonicContact OD2-CE1 3Å; D81-H138 PolarHBondContact OD2-CE1 3.14Å; D81-H138 IonicContact OD2-NE2 3.05Å; D81-H138 PolarHBondContact OD2-NE2 3.35Å; D81-T176 WeakPolarHBondContact OD1-CB 3.37Å; D81-T176 WeakPolarHBondContact OD1-CG2 3.5Å; D81-T176 PolarHBondContact OD1-OG1 3.48Å
82	G	94.6	Very high	95.1	Very high	48 Å²	48	63.1 Å²	63.1	50%	0.495	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	-170.3	0	0	0	0	0	114.8	H78 K79	H78-G82 PolarHBondContact O-N 3.16Å; K79-G82 PolarHBondContact O-N 3.07Å
83	D	95.1	Very high	95.1	Very high	65 Å²	65	62.8 Å²	62.8	35%	0.348	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	11	178.5	70.1	-10.1	0	0	0	113.2	D81 L85 H158 H159 P187	D81-D83 PolarHBondContact O-N 2.9Å; D83-L85 PolarHBondContact O-N 2.95Å; D83-H158 IonicContact OD1-CD2 3.53Å; D83-H158 IonicContact OD1-CE1 3.72Å; D83-H158 IonicContact OD1-NE2 3.45Å; D83-H158 PolarHBondContact OD1-NE2 2.97Å; D83-H158 IonicContact OD2-NE2 3.71Å; D83-H159 VanDerWaalsContact CG-CE1 3.47Å; D83-H159 VanDerWaalsContact CG-NE2 3.32Å; D83-H159 IonicContact OD1-CE1 3.54Å; D83-H159 PolarHBondContact OD1-CE1 2.93Å; D83-H159 IonicContact OD1-ND1 2.71Å; D83-H159 IonicContact OD1-NE2 3.14Å; D83-H159 PolarHBondContact OD1-NE2 2.96Å; D83-H159 IonicContact OD2-CE1 2.76Å; D83-H159 PolarHBondContact OD2-CE1 3.18Å; D83-H159 IonicContact OD2-NE2 3.54Å; D83-H159 PolarHBondContact OD2-NE2 3.22Å; D83-P187 HydrophobicContact CB-CG 4.13Å; D83-P187 WeakPolarHBondContact O-CD 3.36Å
84	I	96.5	Very high	95.2	Very high	3 Å²	3	64 Å²	64	2%	0.015	35%	0.353	C	S	.	.	S	Bend	trans	-57.1	-41.2	172.7	-74.8	179.6	0	0	0	110.2	D81 A134 Y136 T176 V178 Y180 P186	D81-I84 HydrophobicContact CB-CD1 3.62Å; D81-I84 HydrophobicContact CB-CG1 4.02Å; D81-I84 WeakPolarHBondContact O-CB 3.42Å; D81-I84 VanDerWaalsContact O-CG1 3.28Å; D81-I84 WeakPolarHBondContact O-CG1 3.45Å; D81-I84 PolarHBondContact O-N 3.26Å; I84-A134 HydrophobicContact CG2-CB 3.93Å; I84-Y136 HydrophobicContact CD1-CD1 4.19Å; I84-Y136 HydrophobicContact CD1-CD2 3.44Å; I84-Y136 VanDerWaalsContact CD1-CD2 3.44Å; I84-Y136 HydrophobicContact CD1-CE2 4.07Å; I84-Y136 HydrophobicContact CD1-CG 3.51Å; I84-T176 HydrophobicContact CD1-CG2 4.08Å; I84-V178 HydrophobicContact CD1-CG2 3.92Å; I84-V178 HydrophobicContact CG1-CG2 3.91Å; I84-V178 HydrophobicContact CG2-CG1 3.94Å; I84-V178 HydrophobicContact CG2-CG2 4.21Å; I84-Y180 HydrophobicContact CG2-CE1 4.32Å; I84-Y180 WeakPolarHBondContact O-CE1 3.44Å; I84-Y180 VanDerWaalsContact O-CZ 3.28Å; I84-Y180 PolarHBondContact O-OH 2.82Å; I84-P186 WeakPolarHBondContact O-CA 3.4Å
85	L	96.9	Very high	95.3	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	35%	0.346	C	S	.	.	S	Bend	trans	-115	138.4	179.4	-71.8	177.6	0	0	0	111.8	R74 D83 S87 F89 T93 V95 K133 A134 Y180	R74-L85 HydrophobicContact CB-CD1 4.23Å; R74-L85 PolarHBondContact NH2-O 3.18Å; D83-L85 PolarHBondContact O-N 2.95Å; L85-S87 PolarHBondContact O-N 3.47Å; L85-F89 HydrophobicContact CB-CD2 4.23Å; L85-F89 HydrophobicContact CD2-CD2 4.29Å; L85-F89 HydrophobicContact CD2-CE2 4.26Å; L85-T93 HydrophobicContact CD1-CG2 3.66Å; L85-V95 HydrophobicContact CD1-CG1 3.45Å; L85-V95 VanDerWaalsContact CD1-CG1 3.45Å; L85-V95 HydrophobicContact CG-CG1 4.12Å; L85-K133 HydrophobicContact CD1-CB 4.15Å; L85-K133 HydrophobicContact CD2-CB 3.74Å; L85-A134 HydrophobicContact CD2-CB 4.16Å; L85-Y180 HydrophobicContact CD2-CD1 4.32Å; L85-Y180 HydrophobicContact CD2-CE1 4.09Å
86	A	94.9	Very high	95.5	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.033	32%	0.318	C	S	.	.			trans	-51.3	139	172.3	0	0	0	0	0	112.1	R74 S88 F89 H185	R74-A86 VanDerWaalsContact CZ-O 3.28Å; R74-A86 PolarHBondContact NH1-O 2.68Å; R74-A86 PolarHBondContact NH2-O 3.26Å; A86-S88 WeakPolarHBondContact CB-OG 3.35Å; A86-S88 PolarHBondContact O-N 3.28Å; A86-S88 VanDerWaalsContact O-N 3.14Å; A86-F89 HydrophobicContact CB-CD2 3.92Å; A86-F89 HydrophobicContact CB-CE2 4.04Å; A86-F89 WeakPolarHBondContact O-CD2 3.4Å; A86-F89 PolarHBondContact O-N 3.16Å; A86-F89 VanDerWaalsContact O-N 3.15Å; A86-H185 VanDerWaalsContact CB-CE1 3.47Å; A86-H185 WeakPolarHBondContact CB-CE1 3.3Å; A86-H185 PolarHBondContact N-O 3.38Å
87	S	91.9	Very high	95.6	Very high	111 Å²	111	52.9 Å²	52.9	78%	0.776	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.6	178.8	53.9	0	0	0	0	113.5	L85 F89	L85-S87 PolarHBondContact O-N 3.47Å; S87-F89 VanDerWaalsContact C-N 3.29Å; S87-F89 PolarHBondContact O-N 3.21Å
88	S	92.5	Very high	95.7	Very high	81 Å²	81	52 Å²	52	57%	0.566	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.7	174.1	53.8	0	0	0	0	114.1	A86	A86-S88 WeakPolarHBondContact CB-OG 3.35Å; A86-S88 PolarHBondContact O-N 3.28Å; A86-S88 VanDerWaalsContact O-N 3.14Å
89	F	95.1	Very high	95.9	Very high	31 Å²	31	49 Å²	49	14%	0.136	28%	0.279	C	S	.	.	S	Bend	trans	-65.8	139.6	177	-77.5	-72.1	0	0	0	111.7	R74 L85 A86 S87 T93 K133 G183 H185	R74-F89 PolarHBondContact NH1-O 3.34Å; L85-F89 HydrophobicContact CB-CD2 4.23Å; L85-F89 HydrophobicContact CD2-CD2 4.29Å; L85-F89 HydrophobicContact CD2-CE2 4.26Å; A86-F89 HydrophobicContact CB-CD2 3.92Å; A86-F89 HydrophobicContact CB-CE2 4.04Å; A86-F89 WeakPolarHBondContact O-CD2 3.4Å; A86-F89 PolarHBondContact O-N 3.16Å; A86-F89 VanDerWaalsContact O-N 3.15Å; S87-F89 VanDerWaalsContact C-N 3.29Å; S87-F89 PolarHBondContact O-N 3.21Å; F89-T93 HydrophobicContact CB-CG2 4.15Å; F89-T93 HydrophobicContact CG-CG2 4.43Å; F89-K133 HydrophobicContact CD1-CG 4.29Å; F89-K133 HydrophobicContact CE1-CD 4.33Å; F89-K133 HydrophobicContact CE1-CG 4.19Å; F89-G183 WeakPolarHBondContact CZ-O 3.44Å; F89-H185 AromaticContact CE2-CD2 3.74Å; F89-H185 AromaticContact CE2-NE2 3.7Å; F89-H185 AromaticContact CZ-CD2 3.56Å; F89-H185 AromaticContact CZ-NE2 3.67Å
90	P	94.8	Very high	96	Very high	74 Å²	74	39.5 Å²	39.5	48%	0.481	24%	0.238	S	C	.	.			trans	-52.8	155.6	177.1	-29.4	37.4	0	0	0	114.4	R74 D92 T93	R74-P90 WeakPolarHBondContact CD-O 3.49Å; P90-D92 VanDerWaalsContact C-N 3.27Å; P90-D92 WeakPolarHBondContact CB-OD1 3.15Å; P90-D92 PolarHBondContact O-N 3.35Å; P90-T93 WeakPolarHBondContact CD-OG1 3.42Å; P90-T93 WeakPolarHBondContact O-CB 3.44Å; P90-T93 PolarHBondContact O-N 2.91Å; P90-T93 PolarHBondContact O-OG1 3.25Å
91	V	91.3	Very high	96.1	Very high	107 Å²	107	37.2 Å²	37.2	65%	0.648	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.6	-177.2	-179.1	0	0	0	0	112.6	S73 T75 T93	S73-V91 PolarHBondContact OG-O 3.31Å; T75-V91 HydrophobicContact CG2-CG1 3.81Å; V91-T93 PolarHBondContact O-N 3Å
92	D	93.4	Very high	96.2	Very high	89 Å²	89	37.5 Å²	37.5	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.6	174.5	65.1	-52.7	0	0	0	113.2	P90 Q94 H131	P90-D92 VanDerWaalsContact C-N 3.27Å; P90-D92 WeakPolarHBondContact CB-OD1 3.15Å; P90-D92 PolarHBondContact O-N 3.35Å; D92-Q94 PolarHBondContact O-N 3.47Å; D92-H131 IonicContact OD2-CE1 3.38Å; D92-H131 PolarHBondContact OD2-CE1 2.93Å; D92-H131 IonicContact OD2-ND1 3.08Å; D92-H131 PolarHBondContact OD2-ND1 3.14Å; D92-H131 VanDerWaalsContact OD2-ND1 3.08Å
93	T	97.9	Very high	96.3	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.025	21%	0.212	C	C	.	.			trans	-57.3	138.7	173	-57.8	0	0	0	0	110.7	R74 L85 F89 P90 V91 H131 K133	R74-T93 WeakPolarHBondContact CB-O 3.42Å; R74-T93 PolarHBondContact N-O 2.71Å; L85-T93 HydrophobicContact CD1-CG2 3.66Å; F89-T93 HydrophobicContact CB-CG2 4.15Å; F89-T93 HydrophobicContact CG-CG2 4.43Å; P90-T93 WeakPolarHBondContact CD-OG1 3.42Å; P90-T93 WeakPolarHBondContact O-CB 3.44Å; P90-T93 PolarHBondContact O-N 2.91Å; P90-T93 PolarHBondContact O-OG1 3.25Å; V91-T93 PolarHBondContact O-N 3Å; T93-H131 WeakPolarHBondContact CG2-O 3.34Å; T93-K133 HydrophobicContact CG2-CB 4.01Å; T93-K133 HydrophobicContact CG2-CG 3.47Å; T93-K133 VanDerWaalsContact CG2-CG 3.47Å
94	Q	98.5	Very high	96.4	Very high	54 Å²	54	34 Å²	34	25%	0.252	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	160.2	-176.8	-63.9	176.6	-44.1	0	0	112	I71 K72 D92 H131 C132 K133	I71-Q94 HydrophobicContact CG2-CB 4.1Å; I71-Q94 HydrophobicContact CG2-CG 4.48Å; K72-Q94 CarbonylContact O-C 3.54Å; K72-Q94 VanDerWaalsContact O-CA 3.24Å; K72-Q94 WeakPolarHBondContact O-CA 3.44Å; D92-Q94 PolarHBondContact O-N 3.47Å; Q94-H131 HydrophobicContact CB-CB 4.45Å; Q94-H131 HydrophobicContact CG-CB 4.14Å; Q94-H131 PolarHBondContact N-O 3.45Å; Q94-C132 HydrophobicContact CB-CB 4.33Å; Q94-C132 WeakPolarHBondContact O-CA 3.29Å; Q94-K133 PolarHBondContact O-N 3.39Å
95	V	98.6	Very high	96.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.2	168.3	-63.3	0	0	0	0	109.2	I71 K72 V77 L85 A134 Y136	I71-V95 WeakPolarHBondContact CA-O 3.19Å; K72-V95 HydrophobicContact CG-CG2 4.14Å; K72-V95 PolarHBondContact N-O 2.98Å; K72-V95 PolarHBondContact O-N 2.73Å; V77-V95 HydrophobicContact CG2-CG1 4.49Å; V77-V95 HydrophobicContact CG2-CG2 3.48Å; V77-V95 VanDerWaalsContact CG2-CG2 3.48Å; L85-V95 HydrophobicContact CD1-CG1 3.45Å; L85-V95 VanDerWaalsContact CD1-CG1 3.45Å; L85-V95 HydrophobicContact CG-CG1 4.12Å; V95-A134 CarbonylContact C-O 3.57Å; V95-A134 WeakPolarHBondContact CA-O 3.18Å; V95-A134 HydrophobicContact CG1-CB 4.2Å; V95-Y136 HydrophobicContact CB-CD1 4.29Å; V95-Y136 HydrophobicContact CB-CE1 4.19Å; V95-Y136 HydrophobicContact CG2-CD1 4.3Å; V95-Y136 HydrophobicContact CG2-CE1 3.7Å
96	A	98.7	Very high	96.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.3	169	0	0	0	0	0	109.5	E70 I71 I124 A134 I135 Y136	E70-A96 WeakPolarHBondContact O-CA 3.35Å; I71-A96 HydrophobicContact CG1-CB 4.28Å; A96-I124 HydrophobicContact CB-CD1 3.49Å; A96-I124 VanDerWaalsContact CB-CD1 3.49Å; A96-I124 HydrophobicContact CB-CG1 4.27Å; A96-A134 PolarHBondContact N-O 2.89Å; A96-I135 HydrophobicContact CB-CG1 4.23Å; A96-I135 HydrophobicContact CB-CG2 4.33Å; A96-I135 CarbonylContact O-C 3.51Å; A96-I135 VanDerWaalsContact O-CA 3.27Å; A96-I135 WeakPolarHBondContact O-CA 3.41Å; A96-Y136 WeakPolarHBondContact O-CD1 3.42Å; A96-Y136 PolarHBondContact O-N 3.01Å
97	Y	98.8	Very high	96.3	Very high	37 Å²	37	47.2 Å²	47.2	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.7	173.3	-178.7	-132.5	0	0	0	109.4	A69 E70 L99 Y136 H138	A69-Y97 CarbonylContact C-O 3.58Å; A69-Y97 WeakPolarHBondContact CA-O 3.38Å; A69-Y97 WeakPolarHBondContact CB-O 3.42Å; E70-Y97 PolarHBondContact N-O 2.69Å; E70-Y97 PolarHBondContact O-N 3.41Å; Y97-L99 HydrophobicContact CD1-CD1 4Å; Y97-L99 HydrophobicContact CD1-CG 3.83Å; Y97-L99 HydrophobicContact CE1-CG 3.93Å; Y97-L99 WeakPolarHBondContact O-CD1 3.42Å; Y97-L99 PolarHBondContact O-N 3Å; Y97-Y136 WeakPolarHBondContact CA-O 3.45Å; Y97-Y136 VanDerWaalsContact CB-CE1 3.49Å; Y97-Y136 HydrophobicContact CD2-CD1 4.14Å; Y97-Y136 AromaticContact CD2-CD2 3.72Å; Y97-Y136 HydrophobicContact CD2-CD2 3.72Å; Y97-Y136 AromaticContact CD2-CE1 3.78Å; Y97-Y136 HydrophobicContact CD2-CE1 3.78Å; Y97-Y136 AromaticContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CG 4.11Å; Y97-Y136 AromaticContact CD2-CZ 3.36Å; Y97-Y136 WeakPolarHBondContact CD2-O 3.35Å; Y97-Y136 HydrophobicContact CE2-CD2 4.13Å; Y97-Y136 AromaticContact CE2-CE2 3.75Å; Y97-Y136 HydrophobicContact CE2-CE2 3.75Å; Y97-Y136 AromaticContact CG-CE1 3.98Å; Y97-Y136 HydrophobicContact CG-CE1 3.98Å; Y97-Y136 HydrophobicContact CG-CE2 4.11Å; Y97-Y136 AromaticContact CG-CZ 3.67Å; Y97-H138 AromaticContact CE2-CE1 3.83Å; Y97-H138 AromaticContact CE2-ND1 3.42Å; Y97-H138 WeakPolarHBondContact CE2-ND1 3.33Å; Y97-H138 AromaticContact CZ-ND1 3.57Å; Y97-H138 PolarHBondContact OH-ND1 2.88Å
98	I	98.8	Very high	96.5	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.7	170.9	-57.3	174.4	0	0	0	107.8	I67 L101 L117 L120 I135 Y136 L137 F155	I67-I98 HydrophobicContact CD1-CD1 4.31Å; I67-I98 HydrophobicContact CD1-CG2 4.42Å; I67-I98 HydrophobicContact CG1-CG2 4.15Å; I98-L101 HydrophobicContact CG2-CB 4.22Å; I98-L117 HydrophobicContact CD1-CD1 3.74Å; I98-L120 HydrophobicContact CD1-CD2 3.94Å; I98-L120 HydrophobicContact CG1-CD2 3.72Å; I98-I135 HydrophobicContact CD1-CG2 3.75Å; I98-I135 HydrophobicContact CG1-CG2 3.87Å; I98-Y136 PolarHBondContact N-O 3.39Å; I98-L137 HydrophobicContact CB-CB 4.01Å; I98-L137 HydrophobicContact CD1-CD2 4.04Å; I98-F155 HydrophobicContact CD1-CZ 4.47Å
99	L	97.8	Very high	96.6	Very high	31 Å²	31	53.2 Å²	53.2	16%	0.162	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-37.8	177.7	-68	87.8	0	0	0	111.2	W42 F52 V68 E70 Y97	W42-L99 HydrophobicContact CZ2-CB 4.3Å; F52-L99 HydrophobicContact CD1-CD1 4.14Å; F52-L99 HydrophobicContact CD1-CD2 4.47Å; F52-L99 HydrophobicContact CE1-CD1 4.06Å; F52-L99 HydrophobicContact CE1-CD2 3.77Å; F52-L99 HydrophobicContact CZ-CD2 4.36Å; V68-L99 HydrophobicContact CB-CB 4.44Å; V68-L99 HydrophobicContact CG1-CB 4.21Å; V68-L99 HydrophobicContact CG1-CD1 4.36Å; V68-L99 PolarHBondContact O-N 2.89Å; E70-L99 HydrophobicContact CB-CD1 3.91Å; Y97-L99 HydrophobicContact CD1-CD1 4Å; Y97-L99 HydrophobicContact CD1-CG 3.83Å; Y97-L99 HydrophobicContact CE1-CG 3.93Å; Y97-L99 WeakPolarHBondContact O-CD1 3.42Å; Y97-L99 PolarHBondContact O-N 3Å
100	S	97.5	Very high	96.6	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	137.9	-177.6	-170.6	0	0	0	0	110.8	F34 M66 I67 V68	F34-S100 WeakPolarHBondContact CE2-OG 3.38Å; F34-S100 WeakPolarHBondContact CZ-OG 3.47Å; M66-S100 WeakPolarHBondContact CE-OG 3.34Å; I67-S100 CarbonylContact C-O 3.59Å; I67-S100 WeakPolarHBondContact CA-O 3.37Å; V68-S100 PolarHBondContact N-O 3.48Å; V68-S100 PolarHBondContact O-N 3.27Å
101	L	98.5	Very high	96.6	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.131	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.1	166.7	173.7	62	0	0	0	107.9	F34 M66 I67 I98 L116 F149 Y150	F34-L101 WeakPolarHBondContact CZ-O 3.37Å; M66-L101 WeakPolarHBondContact O-CA 3.39Å; I67-L101 HydrophobicContact CB-CD1 3.94Å; I67-L101 HydrophobicContact CD1-CD1 4.24Å; I67-L101 HydrophobicContact CG1-CB 4.47Å; I67-L101 HydrophobicContact CG1-CD1 4.17Å; I98-L101 HydrophobicContact CG2-CB 4.22Å; L101-L116 HydrophobicContact CD1-CB 4.04Å; L101-L116 HydrophobicContact CD1-CD1 4.01Å; L101-F149 HydrophobicContact CD2-CD1 4.45Å; L101-F149 HydrophobicContact CD2-CE1 3.62Å; L101-F149 HydrophobicContact CD2-CZ 4.06Å; L101-Y150 HydrophobicContact CD2-CE1 3.98Å; L101-Y150 WeakPolarHBondContact CD2-OH 3.49Å
102	G	97.8	Very high	96.9	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150	-177.4	0	0	0	0	0	112.3	G65 M66	G65-G102 CarbonylContact C-O 3.6Å; G65-G102 WeakPolarHBondContact CA-O 3.43Å; M66-G102 PolarHBondContact N-O 2.84Å; M66-G102 PolarHBondContact O-N 2.81Å
103	V	98.1	Very high	97.2	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.085	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134.1	175.7	-177.2	0	0	0	0	107.6	V64 K105 F107 R108 I112 L116	V64-V103 CarbonylContact O-C 3.58Å; V64-V103 WeakPolarHBondContact O-CA 3.46Å; V64-V103 WeakPolarHBondContact O-CG1 3.46Å; V103-K105 PolarHBondContact O-N 2.86Å; V103-F107 HydrophobicContact CG1-CB 3.95Å; V103-R108 HydrophobicContact CB-CG 4.17Å; V103-R108 HydrophobicContact CG1-CG 4.23Å; V103-R108 PolarHBondContact O-NE 3.11Å; V103-R108 PolarHBondContact O-NH2 3.41Å; V103-I112 HydrophobicContact CG1-CB 4.22Å; V103-I112 HydrophobicContact CG1-CD1 4.46Å; V103-I112 HydrophobicContact CG1-CG2 4.29Å; V103-I112 HydrophobicContact CG2-CB 4.35Å; V103-I112 HydrophobicContact CG2-CG2 4.1Å; V103-L116 HydrophobicContact CG2-CD1 4.39Å
104	V	97.1	Very high	97.2	Very high	25 Å²	25	45 Å²	45	15%	0.152	22%	0.219	C	C	.	.			trans	-50.6	134.9	172.7	171.5	0	0	0	0	109.4	L29 W33 V64 E106 F107 R108	L29-V104 HydrophobicContact CD2-CG2 3.58Å; W33-V104 HydrophobicContact CZ2-CG2 3.96Å; V64-V104 HydrophobicContact CB-CG2 4.46Å; V64-V104 WeakPolarHBondContact O-CG2 3.35Å; V64-V104 PolarHBondContact O-N 2.79Å; V104-E106 WeakPolarHBondContact CG1-OE2 3.37Å; V104-E106 PolarHBondContact O-N 2.8Å; V104-E106 VanDerWaalsContact O-N 3.16Å; V104-F107 HydrophobicContact CB-CD2 4.04Å; V104-F107 HydrophobicContact CG1-CD2 3.86Å; V104-F107 HydrophobicContact CG1-CE2 4.47Å; V104-F107 CarbonylContact O-C 3.48Å; V104-F107 WeakPolarHBondContact O-CA 3.26Å; V104-F107 PolarHBondContact O-N 2.78Å; V104-R108 PolarHBondContact O-N 3.31Å
105	K	94.9	Very high	97.2	Very high	152 Å²	152	45 Å²	45	66%	0.661	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-55.4	-40.9	-166.2	-175.8	-178.3	176.7	-175.7	0	112.6	V103 F107 R108	V103-K105 PolarHBondContact O-N 2.86Å; K105-F107 VanDerWaalsContact C-N 3.26Å; K105-F107 PolarHBondContact O-N 2.87Å; K105-R108 WeakPolarHBondContact O-CB 3.3Å; K105-R108 PolarHBondContact O-N 2.8Å
106	E	94.9	Very high	97.2	Very high	114 Å²	114	45 Å²	45	53%	0.533	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-66.5	-28.4	-179.1	-63	66.8	-144.7	0	0	111.9	V5 V104	V5-E106 HydrophobicContact CG2-CB 3.98Å; V104-E106 WeakPolarHBondContact CG1-OE2 3.37Å; V104-E106 PolarHBondContact O-N 2.8Å; V104-E106 VanDerWaalsContact O-N 3.16Å
107	F	95.9	Very high	97.2	Very high	25 Å²	25	45 Å²	45	11%	0.11	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-95.4	-2.5	179.7	-70.2	-94.6	0	0	0	113.4	V5 A9 F59 V64 V103 V104 K105 H110 I112	V5-F107 HydrophobicContact CG1-CD1 3.77Å; V5-F107 HydrophobicContact CG1-CE1 3.77Å; V5-F107 HydrophobicContact CG1-CG 4.45Å; V5-F107 HydrophobicContact CG1-CZ 4.44Å; V5-F107 HydrophobicContact CG2-CD1 4.21Å; V5-F107 HydrophobicContact CG2-CD2 4.13Å; V5-F107 HydrophobicContact CG2-CE1 4.04Å; V5-F107 HydrophobicContact CG2-CE2 3.95Å; V5-F107 HydrophobicContact CG2-CG 4.25Å; V5-F107 HydrophobicContact CG2-CZ 3.9Å; A9-F107 HydrophobicContact CB-CE1 4.48Å; F59-F107 HydrophobicContact CB-CE1 3.93Å; F59-F107 HydrophobicContact CB-CZ 4.3Å; F59-F107 AromaticContact CD1-CE1 3.61Å; F59-F107 HydrophobicContact CD1-CE1 3.61Å; F59-F107 AromaticContact CD1-CZ 3.57Å; F59-F107 HydrophobicContact CD1-CZ 3.57Å; F59-F107 HydrophobicContact CD2-CE1 4.22Å; F59-F107 HydrophobicContact CE1-CE1 4.12Å; F59-F107 HydrophobicContact CE1-CZ 4.08Å; F59-F107 AromaticContact CG-CE1 3.66Å; F59-F107 HydrophobicContact CG-CE1 3.66Å; F59-F107 HydrophobicContact CG-CZ 4.05Å; V64-F107 HydrophobicContact CB-CB 4.48Å; V64-F107 HydrophobicContact CB-CD1 4.26Å; V64-F107 HydrophobicContact CB-CD2 4.04Å; V64-F107 HydrophobicContact CB-CE2 4.34Å; V64-F107 HydrophobicContact CB-CG 4Å; V64-F107 HydrophobicContact CG1-CD1 4.27Å; V64-F107 HydrophobicContact CG1-CD2 3.87Å; V64-F107 HydrophobicContact CG1-CE1 4.07Å; V64-F107 HydrophobicContact CG1-CE2 3.66Å; V64-F107 HydrophobicContact CG1-CG 4.18Å; V64-F107 HydrophobicContact CG1-CZ 3.77Å; V64-F107 HydrophobicContact CG2-CD1 4.35Å; V64-F107 HydrophobicContact CG2-CG 4.5Å; V103-F107 HydrophobicContact CG1-CB 3.95Å; V104-F107 HydrophobicContact CB-CD2 4.04Å; V104-F107 HydrophobicContact CG1-CD2 3.86Å; V104-F107 HydrophobicContact CG1-CE2 4.47Å; V104-F107 CarbonylContact O-C 3.48Å; V104-F107 WeakPolarHBondContact O-CA 3.26Å; V104-F107 PolarHBondContact O-N 2.78Å; K105-F107 VanDerWaalsContact C-N 3.26Å; K105-F107 PolarHBondContact O-N 2.87Å; F107-H110 PolarHBondContact O-ND1 3.03Å; F107-I112 HydrophobicContact CB-CD1 3.84Å; F107-I112 HydrophobicContact CD1-CD1 4.04Å; F107-I112 HydrophobicContact CG-CD1 4.35Å
108	R	95.3	Very high	97.2	Very high	103 Å²	103	47 Å²	47	39%	0.389	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	156.4	175.8	-67.3	177.3	-171.4	172.3	2.9	110.8	V103 V104 K105 H110	V103-R108 HydrophobicContact CB-CG 4.17Å; V103-R108 HydrophobicContact CG1-CG 4.23Å; V103-R108 PolarHBondContact O-NE 3.11Å; V103-R108 PolarHBondContact O-NH2 3.41Å; V104-R108 PolarHBondContact O-N 3.31Å; K105-R108 WeakPolarHBondContact O-CB 3.3Å; K105-R108 PolarHBondContact O-N 2.8Å; R108-H110 PolarHBondContact O-CE1 3.15Å; R108-H110 PolarHBondContact O-N 3.37Å; R108-H110 PolarHBondContact O-ND1 2.86Å
109	K	94.4	Very high	97.2	Very high	215 Å²	215	47.5 Å²	47.5	94%	0.935	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	14.2	-178.1	-52.8	-176.2	177.3	-176.8	0	115.3
110	H	94.9	Very high	97.2	Very high	61 Å²	61	46 Å²	46	28%	0.282	23%	0.23	S	C	.	.	S	Bend	trans	-103.9	18	172	-62	84.6	0	0	0	113	F107 R108 I112	F107-H110 PolarHBondContact O-ND1 3.03Å; R108-H110 PolarHBondContact O-CE1 3.15Å; R108-H110 PolarHBondContact O-N 3.37Å; R108-H110 PolarHBondContact O-ND1 2.86Å; H110-I112 VanDerWaalsContact C-N 3.32Å; H110-I112 PolarHBondContact O-N 2.92Å
111	G	96.2	Very high	97.3	Very high	27 Å²	27	48.5 Å²	48.5	28%	0.278	24%	0.24	S	C	.	.	S	Bend	trans	82.9	-7.8	177	0	0	0	0	0	116.3	G113 S114 L115	G111-G113 VanDerWaalsContact C-N 3.34Å; G111-G113 PolarHBondContact O-N 3.42Å; G111-S114 WeakPolarHBondContact O-CA 3.05Å; G111-S114 VanDerWaalsContact O-CB 3.27Å; G111-S114 WeakPolarHBondContact O-CB 3.47Å; G111-S114 PolarHBondContact O-N 3.05Å; G111-L115 PolarHBondContact O-N 3.28Å
112	I	97.8	Very high	97.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-43.3	-178.4	-58.4	-177	0	0	0	112.6	L10 V13 A57 V64 V103 F107 H110 S114 L115 L116	L10-I112 HydrophobicContact CD1-CG1 4.14Å; V13-I112 HydrophobicContact CG2-CD1 3.88Å; V13-I112 HydrophobicContact CG2-CG1 4.27Å; A57-I112 HydrophobicContact CB-CG2 3.59Å; V64-I112 HydrophobicContact CG2-CD1 3.94Å; V103-I112 HydrophobicContact CG1-CB 4.22Å; V103-I112 HydrophobicContact CG1-CD1 4.46Å; V103-I112 HydrophobicContact CG1-CG2 4.29Å; V103-I112 HydrophobicContact CG2-CB 4.35Å; V103-I112 HydrophobicContact CG2-CG2 4.1Å; F107-I112 HydrophobicContact CB-CD1 3.84Å; F107-I112 HydrophobicContact CD1-CD1 4.04Å; F107-I112 HydrophobicContact CG-CD1 4.35Å; H110-I112 VanDerWaalsContact C-N 3.32Å; H110-I112 PolarHBondContact O-N 2.92Å; I112-S114 VanDerWaalsContact C-N 3.28Å; I112-S114 PolarHBondContact O-N 3.2Å; I112-L115 WeakPolarHBondContact O-CB 3.2Å; I112-L115 PolarHBondContact O-N 2.96Å; I112-L116 HydrophobicContact CG2-CD1 4.02Å; I112-L116 HydrophobicContact CG2-CG 4.41Å; I112-L116 WeakPolarHBondContact O-CG 3.44Å; I112-L116 PolarHBondContact O-N 3.22Å
113	G	98.1	Very high	97.3	Very high	13 Å²	13	56 Å²	56	13%	0.134	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-36.6	176.7	0	0	0	0	0	112.6	G111 L117 F149	G111-G113 VanDerWaalsContact C-N 3.34Å; G111-G113 PolarHBondContact O-N 3.42Å; G113-L117 PolarHBondContact O-N 3.01Å; G113-F149 WeakPolarHBondContact O-CZ 3.4Å
114	S	98.2	Very high	97.3	Very high	29 Å²	29	55.3 Å²	55.3	20%	0.203	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-51.5	172.7	-43	0	0	0	0	110.2	G111 I112 L116 L117 D118 R153	G111-S114 WeakPolarHBondContact O-CA 3.05Å; G111-S114 VanDerWaalsContact O-CB 3.27Å; G111-S114 WeakPolarHBondContact O-CB 3.47Å; G111-S114 PolarHBondContact O-N 3.05Å; I112-S114 VanDerWaalsContact C-N 3.28Å; I112-S114 PolarHBondContact O-N 3.2Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 2.81Å; S114-L117 PolarHBondContact O-N 3.39Å; S114-D118 WeakPolarHBondContact O-CB 3.45Å; S114-D118 PolarHBondContact O-N 3.48Å; S114-R153 PolarHBondContact OG-NH2 3.16Å
115	L	98.4	Very high	97.3	Very high	56 Å²	56	56.9 Å²	56.9	29%	0.293	28%	0.28	S	S	.	.	H	α-helix	trans	-53	-48	-178.8	177.3	64.1	0	0	0	111.1	L10 V13 L15 G111 I112 L117 D118 S119	L10-L115 HydrophobicContact CD1-CD2 4.1Å; V13-L115 HydrophobicContact CG1-CD2 4.1Å; L15-L115 HydrophobicContact CD1-CD1 4.19Å; L15-L115 HydrophobicContact CD1-CD2 4.26Å; L15-L115 HydrophobicContact CD1-CG 4.09Å; L15-L115 HydrophobicContact CD2-CD2 4.06Å; L15-L115 HydrophobicContact CD2-CG 4.33Å; L15-L115 HydrophobicContact CG-CD2 4.32Å; G111-L115 PolarHBondContact O-N 3.28Å; I112-L115 WeakPolarHBondContact O-CB 3.2Å; I112-L115 PolarHBondContact O-N 2.96Å; L115-L117 PolarHBondContact O-N 2.92Å; L115-D118 PolarHBondContact O-N 3.22Å; L115-S119 WeakPolarHBondContact O-CB 3.1Å; L115-S119 PolarHBondContact O-N 3.44Å; L115-S119 PolarHBondContact O-OG 2.92Å
116	L	98.8	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-44.4	177.9	-71.8	167.1	0	0	0	112.7	L15 L55 A57 I67 L101 V103 I112 S114 L120	L15-L116 HydrophobicContact CD2-CD2 4.15Å; L55-L116 HydrophobicContact CD2-CD2 4.31Å; L55-L116 HydrophobicContact CG-CD2 4.49Å; A57-L116 HydrophobicContact CB-CD1 4.39Å; A57-L116 HydrophobicContact CB-CD2 4.05Å; A57-L116 HydrophobicContact CB-CG 4.34Å; I67-L116 HydrophobicContact CB-CB 4.07Å; I67-L116 HydrophobicContact CG2-CB 3.96Å; I67-L116 HydrophobicContact CG2-CD2 4.07Å; L101-L116 HydrophobicContact CD1-CB 4.04Å; L101-L116 HydrophobicContact CD1-CD1 4.01Å; V103-L116 HydrophobicContact CG2-CD1 4.39Å; I112-L116 HydrophobicContact CG2-CD1 4.02Å; I112-L116 HydrophobicContact CG2-CG 4.41Å; I112-L116 WeakPolarHBondContact O-CG 3.44Å; I112-L116 PolarHBondContact O-N 3.22Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 2.81Å; L116-L120 PolarHBondContact O-N 3.08Å; L116-L120 VanDerWaalsContact O-N 3.12Å
117	L	98.8	Very high	97.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-40.1	178.1	-176.7	68.3	0	0	0	112	I67 I98 G113 S114 L115 L120 K121 F149 R153 F155	I67-L117 HydrophobicContact CD1-CD1 4.26Å; I98-L117 HydrophobicContact CD1-CD1 3.74Å; G113-L117 PolarHBondContact O-N 3.01Å; S114-L117 PolarHBondContact O-N 3.39Å; L115-L117 PolarHBondContact O-N 2.92Å; L117-L120 WeakPolarHBondContact O-CB 3.42Å; L117-L120 PolarHBondContact O-N 3.16Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.3Å; L117-F149 HydrophobicContact CD2-CE1 4.31Å; L117-F149 HydrophobicContact CD2-CZ 4.44Å; L117-R153 HydrophobicContact CD2-CB 4.31Å; L117-R153 HydrophobicContact CD2-CG 4.47Å; L117-F155 HydrophobicContact CD1-CE2 4.39Å; L117-F155 HydrophobicContact CD1-CZ 4.26Å; L117-F155 HydrophobicContact CD2-CE2 4.02Å
118	D	98.6	Very high	97.3	Very high	79 Å²	79	52.3 Å²	52.3	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-39.6	179	-65.1	-28.3	0	0	0	110.5	S114 L115 L120 K121 E122	S114-D118 WeakPolarHBondContact O-CB 3.45Å; S114-D118 PolarHBondContact O-N 3.48Å; L115-D118 PolarHBondContact O-N 3.22Å; D118-L120 VanDerWaalsContact C-N 3.31Å; D118-L120 PolarHBondContact O-N 2.88Å; D118-K121 WeakPolarHBondContact O-CB 3.4Å; D118-K121 PolarHBondContact O-N 2.98Å; D118-K121 VanDerWaalsContact O-N 3.14Å; D118-E122 PolarHBondContact O-N 3.2Å
119	S	98.6	Very high	97.1	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-36.6	171.4	-62.2	0	0	0	0	112.9	L15 L115 H123	L15-S119 WeakPolarHBondContact CD1-OG 3.1Å; L115-S119 WeakPolarHBondContact O-CB 3.1Å; L115-S119 PolarHBondContact O-N 3.44Å; L115-S119 PolarHBondContact O-OG 2.92Å; S119-H123 WeakPolarHBondContact O-CB 3.46Å; S119-H123 PolarHBondContact O-N 3.24Å
120	L	98.8	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-44.8	172.4	172.1	63.1	0	0	0	111.4	F53 I67 A69 I98 L116 L117 D118 E122 H123 I124 I135	F53-L120 HydrophobicContact CB-CD1 4.4Å; F53-L120 HydrophobicContact CD1-CB 4.3Å; F53-L120 HydrophobicContact CD1-CD1 3.67Å; F53-L120 HydrophobicContact CE1-CB 3.97Å; F53-L120 HydrophobicContact CE1-CD1 4.15Å; F53-L120 HydrophobicContact CG-CD1 4.13Å; I67-L120 HydrophobicContact CD1-CB 3.98Å; I67-L120 HydrophobicContact CD1-CD2 3.66Å; I67-L120 HydrophobicContact CD1-CG 4.46Å; I67-L120 HydrophobicContact CG1-CD2 4.46Å; A69-L120 HydrophobicContact CB-CD1 3.66Å; A69-L120 HydrophobicContact CB-CD2 3.79Å; A69-L120 HydrophobicContact CB-CG 4.4Å; I98-L120 HydrophobicContact CD1-CD2 3.94Å; I98-L120 HydrophobicContact CG1-CD2 3.72Å; L116-L120 PolarHBondContact O-N 3.08Å; L116-L120 VanDerWaalsContact O-N 3.12Å; L117-L120 WeakPolarHBondContact O-CB 3.42Å; L117-L120 PolarHBondContact O-N 3.16Å; D118-L120 VanDerWaalsContact C-N 3.31Å; D118-L120 PolarHBondContact O-N 2.88Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.31Å; L120-H123 PolarHBondContact O-N 3.15Å; L120-I124 HydrophobicContact CD1-CD1 3.91Å; L120-I124 HydrophobicContact CD1-CG1 4.16Å; L120-I124 HydrophobicContact CG-CD1 3.9Å; L120-I124 VanDerWaalsContact O-CG1 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 3.12Å; L120-I135 HydrophobicContact CD2-CG2 4.43Å
121	K	98.6	Very high	97.2	Very high	56 Å²	56	49.3 Å²	49.3	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-41.9	177.5	-70.8	175.1	178.2	-178.5	0	111.5	L117 D118 I124 S125 I135 L179	L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.3Å; D118-K121 WeakPolarHBondContact O-CB 3.4Å; D118-K121 PolarHBondContact O-N 2.98Å; D118-K121 VanDerWaalsContact O-N 3.14Å; K121-I124 PolarHBondContact O-N 3.02Å; K121-S125 WeakPolarHBondContact O-CB 3.28Å; K121-S125 PolarHBondContact O-N 3.47Å; K121-S125 PolarHBondContact O-OG 3.17Å; K121-I135 HydrophobicContact CG-CD1 3.9Å; K121-L179 VanDerWaalsContact CE-CD2 3.47Å
122	E	98.4	Very high	97.3	Very high	130 Å²	130	48 Å²	48	61%	0.607	26%	0.26	S	S	*	.	H	α-helix	trans	-63.4	-44.9	175.5	-175.6	178.6	-173.8	0	0	111.8	D118 L120 I124 S125 T126	D118-E122 PolarHBondContact O-N 3.2Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.31Å; E122-I124 VanDerWaalsContact C-N 3.35Å; E122-I124 PolarHBondContact O-N 3.05Å; E122-S125 WeakPolarHBondContact O-CB 3.27Å; E122-S125 PolarHBondContact O-N 3.44Å; E122-T126 PolarHBondContact O-N 2.76Å; E122-T126 PolarHBondContact O-OG1 3.03Å
123	H	98.2	Very high	97.3	Very high	59 Å²	59	49.5 Å²	49.5	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-44.4	175.6	179.9	73	0	0	0	112.1	F53 S119 L120 S125 T126 T127	F53-H123 HydrophobicContact CD2-CB 3.85Å; F53-H123 AromaticContact CD2-CD2 3.28Å; F53-H123 WeakPolarHBondContact CD2-CD2 3.44Å; F53-H123 AromaticContact CD2-CE1 3.81Å; F53-H123 AromaticContact CD2-CG 3.32Å; F53-H123 AromaticContact CD2-ND1 3.67Å; F53-H123 AromaticContact CD2-NE2 3.61Å; F53-H123 HydrophobicContact CE2-CB 3.43Å; F53-H123 VanDerWaalsContact CE2-CB 3.43Å; F53-H123 AromaticContact CE2-CD2 3.85Å; F53-H123 AromaticContact CE2-CG 3.36Å; F53-H123 AromaticContact CE2-ND1 3.69Å; F53-H123 AromaticContact CG-CD2 3.86Å; F53-H123 HydrophobicContact CZ-CB 3.91Å; S119-H123 WeakPolarHBondContact O-CB 3.46Å; S119-H123 PolarHBondContact O-N 3.24Å; L120-H123 PolarHBondContact O-N 3.15Å; H123-S125 VanDerWaalsContact C-N 3.33Å; H123-S125 PolarHBondContact O-N 3.3Å; H123-T126 PolarHBondContact O-N 3.3Å; H123-T127 WeakPolarHBondContact O-CB 3.11Å; H123-T127 WeakPolarHBondContact O-CG2 3.36Å; H123-T127 PolarHBondContact O-N 3.05Å; H123-T127 PolarHBondContact O-OG1 2.88Å
124	I	98.2	Very high	97.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-43	175.7	-67.5	163.2	0	0	0	110.6	I71 A96 L120 K121 E122 T126 T127 A128 Q129 C132 I135 I181	I71-I124 HydrophobicContact CD1-CG1 3.87Å; I71-I124 HydrophobicContact CG1-CG1 4.35Å; A96-I124 HydrophobicContact CB-CD1 3.49Å; A96-I124 VanDerWaalsContact CB-CD1 3.49Å; A96-I124 HydrophobicContact CB-CG1 4.27Å; L120-I124 HydrophobicContact CD1-CD1 3.91Å; L120-I124 HydrophobicContact CD1-CG1 4.16Å; L120-I124 HydrophobicContact CG-CD1 3.9Å; L120-I124 VanDerWaalsContact O-CG1 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 3.12Å; K121-I124 PolarHBondContact O-N 3.02Å; E122-I124 VanDerWaalsContact C-N 3.35Å; E122-I124 PolarHBondContact O-N 3.05Å; I124-T126 PolarHBondContact O-N 3.32Å; I124-T127 PolarHBondContact O-N 3.17Å; I124-A128 CarbonylContact O-C 3.32Å; I124-A128 VanDerWaalsContact O-C 3.32Å; I124-A128 WeakPolarHBondContact O-CA 3.45Å; I124-A128 PolarHBondContact O-N 2.87Å; I124-Q129 PolarHBondContact O-N 2.62Å; I124-Q129 VanDerWaalsContact O-N 3.16Å; I124-C132 HydrophobicContact CG2-CB 3.65Å; I124-I135 HydrophobicContact CD1-CD1 3.61Å; I124-I135 HydrophobicContact CD1-CG1 3.85Å; I124-I181 HydrophobicContact CG2-CD1 3.74Å
125	S	97.1	Very high	97.4	Very high	57 Å²	57	47.5 Å²	47.5	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-26.5	177.8	-55.5	0	0	0	0	112.2	K121 E122 H123 Q129	K121-S125 WeakPolarHBondContact O-CB 3.28Å; K121-S125 PolarHBondContact O-N 3.47Å; K121-S125 PolarHBondContact O-OG 3.17Å; E122-S125 WeakPolarHBondContact O-CB 3.27Å; E122-S125 PolarHBondContact O-N 3.44Å; H123-S125 VanDerWaalsContact C-N 3.33Å; H123-S125 PolarHBondContact O-N 3.3Å; S125-Q129 WeakPolarHBondContact O-CB 3.39Å; S125-Q129 PolarHBondContact O-OE1 2.81Å
126	T	96.4	Very high	97.4	Very high	112 Å²	112	44.9 Å²	44.9	69%	0.687	24%	0.237	S	C	*	.	H	α-helix	trans	-87.4	-35.4	178.3	-55	0	0	0	0	112.7	E122 H123 I124	E122-T126 PolarHBondContact O-N 2.76Å; E122-T126 PolarHBondContact O-OG1 3.03Å; H123-T126 PolarHBondContact O-N 3.3Å; I124-T126 PolarHBondContact O-N 3.32Å
127	T	95.3	Very high	97.4	Very high	79 Å²	79	45 Å²	45	49%	0.485	24%	0.237	S	C	.	.	H	α-helix	trans	-105.7	-22.8	-168	57.7	0	0	0	0	114.6	H123 I124	H123-T127 WeakPolarHBondContact O-CB 3.11Å; H123-T127 WeakPolarHBondContact O-CG2 3.36Å; H123-T127 PolarHBondContact O-N 3.05Å; H123-T127 PolarHBondContact O-OG1 2.88Å; I124-T127 PolarHBondContact O-N 3.17Å
128	A	93.5	Very high	97.4	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.041	24%	0.242	C	C	.	.	S	Bend	trans	-149.6	25.8	-167.9	0	0	0	0	0	113.1	I71 I124 D130 H131 C132	I71-A128 HydrophobicContact CD1-CB 4.32Å; I71-A128 HydrophobicContact CG2-CB 4.24Å; I124-A128 CarbonylContact O-C 3.32Å; I124-A128 VanDerWaalsContact O-C 3.32Å; I124-A128 WeakPolarHBondContact O-CA 3.45Å; I124-A128 PolarHBondContact O-N 2.87Å; A128-D130 VanDerWaalsContact C-N 3.3Å; A128-D130 PolarHBondContact O-N 2.88Å; A128-H131 PolarHBondContact O-N 2.91Å; A128-C132 HydrophobicContact CB-CB 3.92Å; A128-C132 VanDerWaalsContact O-CB 3.24Å; A128-C132 WeakPolarHBondContact O-CB 3.5Å; A128-C132 PolarHBondContact O-N 2.87Å
129	Q	92.3	Very high	97.3	Very high	111 Å²	111	42.4 Å²	42.4	52%	0.519	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-44.9	-174.7	-169.8	173.3	-10.8	0	0	113.2	I124 S125 N182	I124-Q129 PolarHBondContact O-N 2.62Å; I124-Q129 VanDerWaalsContact O-N 3.16Å; S125-Q129 WeakPolarHBondContact O-CB 3.39Å; S125-Q129 PolarHBondContact O-OE1 2.81Å; Q129-N182 VanDerWaalsContact O-CG 3.27Å; Q129-N182 PolarHBondContact O-ND2 2.87Å
130	D	93.7	Very high	97.3	Very high	123 Å²	123	42.5 Å²	42.5	66%	0.658	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.7	-174.1	-63.8	-34.4	0	0	0	112.6	A128 K133	A128-D130 VanDerWaalsContact C-N 3.3Å; A128-D130 PolarHBondContact O-N 2.88Å; D130-K133 VanDerWaalsContact O-CE 3.31Å; D130-K133 WeakPolarHBondContact O-CE 3.35Å; D130-K133 PolarHBondContact O-NZ 2.91Å
131	H	96.9	Very high	97.3	Very high	82 Å²	82	44.1 Å²	44.1	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-29.3	-170.1	-56.8	-77.5	0	0	0	113.9	D92 T93 Q94 A128	D92-H131 IonicContact OD2-CE1 3.38Å; D92-H131 PolarHBondContact OD2-CE1 2.93Å; D92-H131 IonicContact OD2-ND1 3.08Å; D92-H131 PolarHBondContact OD2-ND1 3.14Å; D92-H131 VanDerWaalsContact OD2-ND1 3.08Å; T93-H131 WeakPolarHBondContact CG2-O 3.34Å; Q94-H131 HydrophobicContact CB-CB 4.45Å; Q94-H131 HydrophobicContact CG-CB 4.14Å; Q94-H131 PolarHBondContact N-O 3.45Å; A128-H131 PolarHBondContact O-N 2.91Å
132	C	98.3	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.7	-176.7	-166	0	0	0	0	111.1	Q94 I124 A128 I181 N182	Q94-C132 HydrophobicContact CB-CB 4.33Å; Q94-C132 WeakPolarHBondContact O-CA 3.29Å; I124-C132 HydrophobicContact CG2-CB 3.65Å; A128-C132 HydrophobicContact CB-CB 3.92Å; A128-C132 VanDerWaalsContact O-CB 3.24Å; A128-C132 WeakPolarHBondContact O-CB 3.5Å; A128-C132 PolarHBondContact O-N 2.87Å; C132-I181 HydrophobicContact CB-CD1 4.44Å; C132-N182 WeakPolarHBondContact O-CB 3.35Å; C132-N182 PolarHBondContact O-ND2 2.87Å
133	K	98.4	Very high	97.2	Very high	32 Å²	32	43.3 Å²	43.3	14%	0.139	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-12.4	-171.1	-60.1	-57.8	177.3	-163	0	114.8	L85 F89 T93 Q94 D130 I181 N182 G184	L85-K133 HydrophobicContact CD1-CB 4.15Å; L85-K133 HydrophobicContact CD2-CB 3.74Å; F89-K133 HydrophobicContact CD1-CG 4.29Å; F89-K133 HydrophobicContact CE1-CD 4.33Å; F89-K133 HydrophobicContact CE1-CG 4.19Å; T93-K133 HydrophobicContact CG2-CB 4.01Å; T93-K133 HydrophobicContact CG2-CG 3.47Å; T93-K133 VanDerWaalsContact CG2-CG 3.47Å; Q94-K133 PolarHBondContact O-N 3.39Å; D130-K133 VanDerWaalsContact O-CE 3.31Å; D130-K133 WeakPolarHBondContact O-CE 3.35Å; D130-K133 PolarHBondContact O-NZ 2.91Å; K133-I181 CarbonylContact C-O 3.48Å; K133-I181 WeakPolarHBondContact CA-O 3.44Å; K133-I181 PolarHBondContact O-N 3.21Å; K133-N182 HydrophobicContact CD-CB 4.08Å; K133-N182 WeakPolarHBondContact CD-O 3.43Å; K133-N182 PolarHBondContact NZ-O 3.25Å; K133-G184 WeakPolarHBondContact O-CA 3.44Å
134	A	98.6	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148	176.9	0	0	0	0	0	111.5	I84 L85 V95 A96 V178 L179 Y180	I84-A134 HydrophobicContact CG2-CB 3.93Å; L85-A134 HydrophobicContact CD2-CB 4.16Å; V95-A134 CarbonylContact C-O 3.57Å; V95-A134 WeakPolarHBondContact CA-O 3.18Å; V95-A134 HydrophobicContact CG1-CB 4.2Å; A96-A134 PolarHBondContact N-O 2.89Å; A134-V178 HydrophobicContact CB-CG1 4.06Å; A134-L179 CarbonylContact C-O 3.57Å; A134-L179 WeakPolarHBondContact CA-O 3.47Å; A134-Y180 HydrophobicContact CB-CD1 4.03Å; A134-Y180 HydrophobicContact CB-CE1 4.22Å
135	I	98.8	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.4	164	-49.9	-179.5	0	0	0	106.5	A96 I98 L120 K121 I124 F155 V178 L179 I181	A96-I135 HydrophobicContact CB-CG1 4.23Å; A96-I135 HydrophobicContact CB-CG2 4.33Å; A96-I135 CarbonylContact O-C 3.51Å; A96-I135 VanDerWaalsContact O-CA 3.27Å; A96-I135 WeakPolarHBondContact O-CA 3.41Å; I98-I135 HydrophobicContact CD1-CG2 3.75Å; I98-I135 HydrophobicContact CG1-CG2 3.87Å; L120-I135 HydrophobicContact CD2-CG2 4.43Å; K121-I135 HydrophobicContact CG-CD1 3.9Å; I124-I135 HydrophobicContact CD1-CD1 3.61Å; I124-I135 HydrophobicContact CD1-CG1 3.85Å; I135-F155 HydrophobicContact CB-CE1 4.24Å; I135-F155 HydrophobicContact CB-CZ 4.18Å; I135-F155 HydrophobicContact CG2-CE1 4.1Å; I135-F155 HydrophobicContact CG2-CZ 3.97Å; I135-V178 CarbonylContact O-C 3.57Å; I135-V178 WeakPolarHBondContact O-CA 3.38Å; I135-L179 HydrophobicContact CB-CB 4.47Å; I135-L179 HydrophobicContact CD1-CD2 4.48Å; I135-L179 PolarHBondContact N-O 2.64Å; I135-L179 PolarHBondContact O-N 2.8Å; I135-I181 HydrophobicContact CD1-CD1 4.38Å; I135-I181 HydrophobicContact CG1-CD1 4.03Å
136	Y	98.8	Very high	97.2	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.9	179.3	79.2	-71.1	0	0	0	112.4	K72 D81 I84 V95 A96 Y97 I98 T176 Y177	K72-Y136 WeakPolarHBondContact CE-OH 3.48Å; K72-Y136 PolarHBondContact NZ-OH 3.23Å; K72-Y136 VanDerWaalsContact NZ-OH 3.17Å; D81-Y136 HydrophobicContact CB-CE2 4.44Å; I84-Y136 HydrophobicContact CD1-CD1 4.19Å; I84-Y136 HydrophobicContact CD1-CD2 3.44Å; I84-Y136 VanDerWaalsContact CD1-CD2 3.44Å; I84-Y136 HydrophobicContact CD1-CE2 4.07Å; I84-Y136 HydrophobicContact CD1-CG 3.51Å; V95-Y136 HydrophobicContact CB-CD1 4.29Å; V95-Y136 HydrophobicContact CB-CE1 4.19Å; V95-Y136 HydrophobicContact CG2-CD1 4.3Å; V95-Y136 HydrophobicContact CG2-CE1 3.7Å; A96-Y136 WeakPolarHBondContact O-CD1 3.42Å; A96-Y136 PolarHBondContact O-N 3.01Å; Y97-Y136 WeakPolarHBondContact CA-O 3.45Å; Y97-Y136 VanDerWaalsContact CB-CE1 3.49Å; Y97-Y136 HydrophobicContact CD2-CD1 4.14Å; Y97-Y136 AromaticContact CD2-CD2 3.72Å; Y97-Y136 HydrophobicContact CD2-CD2 3.72Å; Y97-Y136 AromaticContact CD2-CE1 3.78Å; Y97-Y136 HydrophobicContact CD2-CE1 3.78Å; Y97-Y136 AromaticContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CG 4.11Å; Y97-Y136 AromaticContact CD2-CZ 3.36Å; Y97-Y136 WeakPolarHBondContact CD2-O 3.35Å; Y97-Y136 HydrophobicContact CE2-CD2 4.13Å; Y97-Y136 AromaticContact CE2-CE2 3.75Å; Y97-Y136 HydrophobicContact CE2-CE2 3.75Å; Y97-Y136 AromaticContact CG-CE1 3.98Å; Y97-Y136 HydrophobicContact CG-CE1 3.98Å; Y97-Y136 HydrophobicContact CG-CE2 4.11Å; Y97-Y136 AromaticContact CG-CZ 3.67Å; I98-Y136 PolarHBondContact N-O 3.39Å; Y136-T176 HydrophobicContact CD2-CG2 4.33Å; Y136-Y177 CarbonylContact C-O 3.59Å; Y136-Y177 WeakPolarHBondContact CA-O 3.24Å; Y136-Y177 WeakPolarHBondContact CB-O 3.47Å
137	L	98.8	Very high	97.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	165.2	-177.3	66.7	96.6	0	0	0	111.4	I98 V139 Y150 F155 T176 Y177	I98-L137 HydrophobicContact CB-CB 4.01Å; I98-L137 HydrophobicContact CD1-CD2 4.04Å; L137-V139 HydrophobicContact CD1-CB 4.16Å; L137-Y150 HydrophobicContact CD1-CD2 3.82Å; L137-Y150 HydrophobicContact CD1-CE2 3.5Å; L137-Y150 VanDerWaalsContact CD1-CE2 3.5Å; L137-Y150 HydrophobicContact CD1-CG 4.47Å; L137-Y150 HydrophobicContact CD2-CD1 3.53Å; L137-Y150 HydrophobicContact CD2-CD2 4.03Å; L137-Y150 HydrophobicContact CD2-CE1 3.22Å; L137-Y150 HydrophobicContact CD2-CE2 3.76Å; L137-Y150 HydrophobicContact CD2-CG 3.94Å; L137-Y150 HydrophobicContact CG-CE1 4.49Å; L137-Y150 HydrophobicContact CG-CE2 4.3Å; L137-F155 HydrophobicContact CD2-CD1 3.97Å; L137-F155 HydrophobicContact CD2-CE1 3.75Å; L137-F155 HydrophobicContact CD2-CZ 4.41Å; L137-T176 WeakPolarHBondContact O-CA 3.47Å; L137-Y177 PolarHBondContact N-O 3.12Å; L137-Y177 PolarHBondContact O-N 2.89Å
138	H	98.6	Very high	97.5	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.7	171.3	-61	105.8	0	0	0	111.4	D81 Y97 L161 Y164 Y165 F175 T176	D81-H138 IonicContact OD1-NE2 3.88Å; D81-H138 IonicContact OD2-CE1 3Å; D81-H138 PolarHBondContact OD2-CE1 3.14Å; D81-H138 IonicContact OD2-NE2 3.05Å; D81-H138 PolarHBondContact OD2-NE2 3.35Å; Y97-H138 AromaticContact CE2-CE1 3.83Å; Y97-H138 AromaticContact CE2-ND1 3.42Å; Y97-H138 WeakPolarHBondContact CE2-ND1 3.33Å; Y97-H138 AromaticContact CZ-ND1 3.57Å; Y97-H138 PolarHBondContact OH-ND1 2.88Å; H138-L161 WeakPolarHBondContact CD2-CD1 3.32Å; H138-Y164 HydrophobicContact CB-CE1 3.89Å; H138-Y164 AromaticContact CD2-CE1 3.97Å; H138-Y164 AromaticContact CD2-CZ 3.97Å; H138-Y164 AromaticContact CE1-CZ 3.94Å; H138-Y164 PolarHBondContact CE1-OH 3.23Å; H138-Y164 AromaticContact CG-CE1 3.68Å; H138-Y164 AromaticContact CG-CZ 3.91Å; H138-Y164 AromaticContact ND1-CZ 3.9Å; H138-Y164 PolarHBondContact ND1-OH 3.41Å; H138-Y164 AromaticContact NE2-CZ 3.98Å; H138-Y165 WeakPolarHBondContact CB-OH 3.43Å; H138-Y165 PolarHBondContact O-OH 3.38Å; H138-F175 VanDerWaalsContact CA-O 3.32Å; H138-F175 WeakPolarHBondContact CA-O 3.47Å; H138-T176 PolarHBondContact CD2-OG1 2.82Å; H138-T176 PolarHBondContact NE2-OG1 3Å
139	V	98.2	Very high	97.7	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.9	176.5	65.7	0	0	0	0	110.2	L137 T141 N143 A146 I147 Y165 G174 F175 Y177	L137-V139 HydrophobicContact CD1-CB 4.16Å; V139-T141 PolarHBondContact O-N 3.03Å; V139-N143 HydrophobicContact CG2-CB 3.86Å; V139-A146 HydrophobicContact CG2-CB 3.7Å; V139-I147 HydrophobicContact CG1-CG1 4.04Å; V139-I147 HydrophobicContact CG2-CG1 4.3Å; V139-Y165 PolarHBondContact N-OH 3.36Å; V139-G174 CarbonylContact O-C 3.53Å; V139-G174 VanDerWaalsContact O-CA 3.25Å; V139-G174 WeakPolarHBondContact O-CA 3.24Å; V139-F175 HydrophobicContact CG1-CB 4Å; V139-F175 PolarHBondContact N-O 2.85Å; V139-F175 PolarHBondContact O-N 2.82Å; V139-Y177 HydrophobicContact CG1-CD2 3.63Å; V139-Y177 HydrophobicContact CG1-CE2 3.81Å
140	L	98.1	Very high	98	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	137.9	170.1	-76.3	161.9	0	0	0	110.1	P35 T142 N143 Y165 I167 K172	P35-L140 HydrophobicContact CG-CD1 3.78Å; L140-T142 PolarHBondContact O-N 3.28Å; L140-N143 HydrophobicContact CB-CB 4.1Å; L140-N143 PolarHBondContact O-N 2.99Å; L140-Y165 HydrophobicContact CD2-CD2 3.34Å; L140-Y165 HydrophobicContact CD2-CE2 3.95Å; L140-Y165 HydrophobicContact CD2-CG 3.85Å; L140-Y165 HydrophobicContact CG-CD2 3.9Å; L140-Y165 HydrophobicContact CG-CE2 3.99Å; L140-Y165 HydrophobicContact CG-CG 4.46Å; L140-I167 HydrophobicContact CD1-CD1 3.87Å; L140-I167 HydrophobicContact CD2-CD1 3.91Å; L140-K172 HydrophobicContact CD2-CB 3.87Å
141	T	98.1	Very high	98.3	Very high	34 Å²	34	39.5 Å²	39.5	21%	0.209	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.1	177.2	58.4	0	0	0	0	113.1	V139 Y160 D173 F175	V139-T141 PolarHBondContact O-N 3.03Å; T141-Y160 HydrophobicContact CG2-CD2 4.06Å; T141-Y160 HydrophobicContact CG2-CE2 3.99Å; T141-D173 HydrophobicContact CG2-CB 3.63Å; T141-D173 PolarHBondContact N-O 2.96Å; T141-F175 HydrophobicContact CG2-CD1 4.1Å; T141-F175 HydrophobicContact CG2-CD2 3.76Å; T141-F175 HydrophobicContact CG2-CE1 3.9Å; T141-F175 HydrophobicContact CG2-CE2 3.55Å; T141-F175 HydrophobicContact CG2-CG 4.02Å; T141-F175 HydrophobicContact CG2-CZ 3.61Å
142	T	97.8	Very high	98.3	Very high	105 Å²	105	41.7 Å²	41.7	64%	0.644	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.3	178.2	59.7	0	0	0	0	114	L140 N144	L140-T142 PolarHBondContact O-N 3.28Å; T142-N144 VanDerWaalsContact C-N 3.31Å; T142-N144 PolarHBondContact O-N 2.93Å; T142-N144 VanDerWaalsContact O-N 3.08Å
143	N	97.8	Very high	98.3	Very high	63 Å²	63	44.4 Å²	44.4	34%	0.337	23%	0.234	S	C	.	.			trans	-88.6	67.8	-176.6	-170.2	-6.1	0	0	0	111.6	V139 L140 T145 A146 I147	V139-N143 HydrophobicContact CG2-CB 3.86Å; L140-N143 HydrophobicContact CB-CB 4.1Å; L140-N143 PolarHBondContact O-N 2.99Å; N143-T145 PolarHBondContact O-N 3.37Å; N143-T145 VanDerWaalsContact O-N 3.11Å; N143-A146 HydrophobicContact CB-CB 4.37Å; N143-A146 WeakPolarHBondContact ND2-CB 3.44Å; N143-A146 PolarHBondContact O-N 3.08Å; N143-A146 VanDerWaalsContact O-N 3.09Å; N143-A146 PolarHBondContact OD1-N 2.87Å; N143-I147 WeakPolarHBondContact O-CG1 3.4Å; N143-I147 PolarHBondContact O-N 3.48Å
144	N	98.1	Very high	98.3	Very high	96 Å²	96	48 Å²	48	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-56.2	-30	-179.2	-66.9	-44.7	0	0	0	113.3	T142 H148	T142-N144 VanDerWaalsContact C-N 3.31Å; T142-N144 PolarHBondContact O-N 2.93Å; T142-N144 VanDerWaalsContact O-N 3.08Å; N144-H148 WeakPolarHBondContact O-CB 3.46Å; N144-H148 PolarHBondContact O-CD2 2.89Å; N144-H148 VanDerWaalsContact O-CG 3.29Å; N144-H148 PolarHBondContact O-N 3.33Å
145	T	97.5	Very high	98.3	Very high	104 Å²	104	48 Å²	48	64%	0.638	25%	0.254	S	S	*	.	H	α-helix	trans	-66	-46.2	178	-61.5	0	0	0	0	111.4	N143 F149	N143-T145 PolarHBondContact O-N 3.37Å; N143-T145 VanDerWaalsContact O-N 3.11Å; T145-F149 WeakPolarHBondContact O-CB 3.36Å; T145-F149 PolarHBondContact O-N 3.16Å; T145-F149 VanDerWaalsContact O-N 3.09Å
146	A	97.9	Very high	98.3	Very high	18 Å²	18	55.7 Å²	55.7	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-70.6	-42.2	177	0	0	0	0	0	111.4	V139 N143 H148 F149 Y150	V139-A146 HydrophobicContact CG2-CB 3.7Å; N143-A146 HydrophobicContact CB-CB 4.37Å; N143-A146 WeakPolarHBondContact ND2-CB 3.44Å; N143-A146 PolarHBondContact O-N 3.08Å; N143-A146 VanDerWaalsContact O-N 3.09Å; N143-A146 PolarHBondContact OD1-N 2.87Å; A146-H148 PolarHBondContact O-N 2.87Å; A146-F149 WeakPolarHBondContact O-CB 3.34Å; A146-F149 PolarHBondContact O-N 2.81Å; A146-F149 VanDerWaalsContact O-N 3.08Å; A146-Y150 HydrophobicContact CB-CD2 4.35Å; A146-Y150 HydrophobicContact CB-CE2 4.11Å; A146-Y150 WeakPolarHBondContact O-CD2 3.35Å; A146-Y150 PolarHBondContact O-N 2.84Å
147	I	98.6	Very high	98.3	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-52.7	-55.6	175.6	-73.2	165.9	0	0	0	110.6	V139 N143 F149 Y150 E151 F175 Y177	V139-I147 HydrophobicContact CG1-CG1 4.04Å; V139-I147 HydrophobicContact CG2-CG1 4.3Å; N143-I147 WeakPolarHBondContact O-CG1 3.4Å; N143-I147 PolarHBondContact O-N 3.48Å; I147-F149 VanDerWaalsContact C-N 3.29Å; I147-F149 PolarHBondContact O-N 3.14Å; I147-Y150 PolarHBondContact O-N 2.94Å; I147-E151 HydrophobicContact CG2-CG 4.41Å; I147-E151 WeakPolarHBondContact O-CG 3.1Å; I147-E151 PolarHBondContact O-N 3.44Å; I147-F175 HydrophobicContact CD1-CD2 4.13Å; I147-F175 HydrophobicContact CD1-CE2 4.24Å; I147-Y177 HydrophobicContact CG1-CE2 4.26Å; I147-Y177 WeakPolarHBondContact CG2-OH 3.37Å
148	H	98.5	Very high	98.2	Very high	105 Å²	105	62.4 Å²	62.4	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-33.3	177.8	-68.4	-39.7	0	0	0	113.1	N144 A146 E151 N152	N144-H148 WeakPolarHBondContact O-CB 3.46Å; N144-H148 PolarHBondContact O-CD2 2.89Å; N144-H148 VanDerWaalsContact O-CG 3.29Å; N144-H148 PolarHBondContact O-N 3.33Å; A146-H148 PolarHBondContact O-N 2.87Å; H148-E151 IonicContact ND1-OE2 3.85Å; H148-N152 VanDerWaalsContact O-CB 3.24Å; H148-N152 WeakPolarHBondContact O-CB 3.35Å; H148-N152 PolarHBondContact O-N 3.04Å; H148-N152 VanDerWaalsContact O-N 3.14Å; H148-N152 PolarHBondContact O-ND2 3.37Å
149	F	98.6	Very high	98.2	Very high	41 Å²	41	63.3 Å²	63.3	18%	0.18	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-44.9	175.2	169.9	-88.8	0	0	0	111.5	L101 G113 L117 T145 A146 I147 R153	L101-F149 HydrophobicContact CD2-CD1 4.45Å; L101-F149 HydrophobicContact CD2-CE1 3.62Å; L101-F149 HydrophobicContact CD2-CZ 4.06Å; G113-F149 WeakPolarHBondContact O-CZ 3.4Å; L117-F149 HydrophobicContact CD2-CE1 4.31Å; L117-F149 HydrophobicContact CD2-CZ 4.44Å; T145-F149 WeakPolarHBondContact O-CB 3.36Å; T145-F149 PolarHBondContact O-N 3.16Å; T145-F149 VanDerWaalsContact O-N 3.09Å; A146-F149 WeakPolarHBondContact O-CB 3.34Å; A146-F149 PolarHBondContact O-N 2.81Å; A146-F149 VanDerWaalsContact O-N 3.08Å; I147-F149 VanDerWaalsContact C-N 3.29Å; I147-F149 PolarHBondContact O-N 3.14Å; F149-R153 VanDerWaalsContact CE2-NE 3.26Å; F149-R153 WeakPolarHBondContact O-CD 2.88Å; F149-R153 WeakPolarHBondContact O-CG 3.35Å; F149-R153 PolarHBondContact O-NH1 3.07Å
150	Y	98.8	Very high	98.2	Very high	16 Å²	16	68.8 Å²	68.8	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-75.2	-42.2	-178.4	-69.4	-57.5	0	0	0	112.5	L101 L137 A146 I147 N152 R153 D154 F155	L101-Y150 HydrophobicContact CD2-CE1 3.98Å; L101-Y150 WeakPolarHBondContact CD2-OH 3.49Å; L137-Y150 HydrophobicContact CD1-CD2 3.82Å; L137-Y150 HydrophobicContact CD1-CE2 3.5Å; L137-Y150 VanDerWaalsContact CD1-CE2 3.5Å; L137-Y150 HydrophobicContact CD1-CG 4.47Å; L137-Y150 HydrophobicContact CD2-CD1 3.53Å; L137-Y150 HydrophobicContact CD2-CD2 4.03Å; L137-Y150 HydrophobicContact CD2-CE1 3.22Å; L137-Y150 HydrophobicContact CD2-CE2 3.76Å; L137-Y150 HydrophobicContact CD2-CG 3.94Å; L137-Y150 HydrophobicContact CG-CE1 4.49Å; L137-Y150 HydrophobicContact CG-CE2 4.3Å; A146-Y150 HydrophobicContact CB-CD2 4.35Å; A146-Y150 HydrophobicContact CB-CE2 4.11Å; A146-Y150 WeakPolarHBondContact O-CD2 3.35Å; A146-Y150 PolarHBondContact O-N 2.84Å; I147-Y150 PolarHBondContact O-N 2.94Å; Y150-N152 VanDerWaalsContact C-N 3.33Å; Y150-N152 PolarHBondContact O-N 3.43Å; Y150-R153 CarbonylContact O-C 3.46Å; Y150-R153 VanDerWaalsContact O-C 3.32Å; Y150-R153 WeakPolarHBondContact O-CA 3.44Å; Y150-R153 PolarHBondContact O-N 3.41Å; Y150-D154 PolarHBondContact O-N 3.27Å; Y150-F155 HydrophobicContact CD1-CD2 4.16Å; Y150-F155 HydrophobicContact CD1-CE2 4.34Å; Y150-F155 HydrophobicContact CD1-CG 4.32Å; Y150-F155 WeakPolarHBondContact O-CB 3.28Å; Y150-F155 PolarHBondContact O-N 3.45Å; Y150-F155 VanDerWaalsContact O-N 3.11Å
151	E	98.6	Very high	98.2	Very high	76 Å²	76	68.6 Å²	68.6	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-40.6	176.8	-73.1	178.1	167.4	0	0	112.5	I147 H148 R153 D154 Y177	I147-E151 HydrophobicContact CG2-CG 4.41Å; I147-E151 WeakPolarHBondContact O-CG 3.1Å; I147-E151 PolarHBondContact O-N 3.44Å; H148-E151 IonicContact ND1-OE2 3.85Å; E151-R153 PolarHBondContact O-N 3.47Å; E151-D154 PolarHBondContact O-N 3.27Å; E151-Y177 HydrophobicContact CG-CE1 3.56Å; E151-Y177 PolarHBondContact OE1-OH 2.98Å
152	N	98.3	Very high	98.2	Very high	129 Å²	129	70.7 Å²	70.7	69%	0.69	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-1.6	174	-71.1	-32.8	0	0	0	113.4	H148 Y150	H148-N152 VanDerWaalsContact O-CB 3.24Å; H148-N152 WeakPolarHBondContact O-CB 3.35Å; H148-N152 PolarHBondContact O-N 3.04Å; H148-N152 VanDerWaalsContact O-N 3.14Å; H148-N152 PolarHBondContact O-ND2 3.37Å; Y150-N152 VanDerWaalsContact C-N 3.33Å; Y150-N152 PolarHBondContact O-N 3.43Å
153	R	98.2	Very high	98.1	Very high	57 Å²	57	73.3 Å²	73.3	22%	0.215	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	27.6	177.4	-70.8	168.2	-179.8	67.7	4.8	111.5	S114 L117 F149 Y150 E151 F155	S114-R153 PolarHBondContact OG-NH2 3.16Å; L117-R153 HydrophobicContact CD2-CB 4.31Å; L117-R153 HydrophobicContact CD2-CG 4.47Å; F149-R153 VanDerWaalsContact CE2-NE 3.26Å; F149-R153 WeakPolarHBondContact O-CD 2.88Å; F149-R153 WeakPolarHBondContact O-CG 3.35Å; F149-R153 PolarHBondContact O-NH1 3.07Å; Y150-R153 CarbonylContact O-C 3.46Å; Y150-R153 VanDerWaalsContact O-C 3.32Å; Y150-R153 WeakPolarHBondContact O-CA 3.44Å; Y150-R153 PolarHBondContact O-N 3.41Å; E151-R153 PolarHBondContact O-N 3.47Å; R153-F155 HydrophobicContact CB-CD2 4.34Å; R153-F155 WeakPolarHBondContact O-CD2 3.4Å; R153-F155 PolarHBondContact O-N 2.65Å; R153-F155 VanDerWaalsContact O-N 3.15Å
154	D	98.4	Very high	98.1	Very high	106 Å²	106	74 Å²	74	57%	0.567	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	8.6	174	-54.7	-56.2	0	0	0	115.7	Y150 E151 L179	Y150-D154 PolarHBondContact O-N 3.27Å; E151-D154 PolarHBondContact O-N 3.27Å; D154-L179 HydrophobicContact CB-CD1 3.91Å
155	F	98.7	Very high	97.9	Very high	0 Å²	0	71 Å²	71	0%	0	33%	0.332	C	S	.	.			trans	-67.3	140.7	166.7	-73.2	-107.6	0	0	0	109.1	I98 L117 I135 L137 Y150 R153 Y177 V178 L179	I98-F155 HydrophobicContact CD1-CZ 4.47Å; L117-F155 HydrophobicContact CD1-CE2 4.39Å; L117-F155 HydrophobicContact CD1-CZ 4.26Å; L117-F155 HydrophobicContact CD2-CE2 4.02Å; I135-F155 HydrophobicContact CB-CE1 4.24Å; I135-F155 HydrophobicContact CB-CZ 4.18Å; I135-F155 HydrophobicContact CG2-CE1 4.1Å; I135-F155 HydrophobicContact CG2-CZ 3.97Å; L137-F155 HydrophobicContact CD2-CD1 3.97Å; L137-F155 HydrophobicContact CD2-CE1 3.75Å; L137-F155 HydrophobicContact CD2-CZ 4.41Å; Y150-F155 HydrophobicContact CD1-CD2 4.16Å; Y150-F155 HydrophobicContact CD1-CE2 4.34Å; Y150-F155 HydrophobicContact CD1-CG 4.32Å; Y150-F155 WeakPolarHBondContact O-CB 3.28Å; Y150-F155 PolarHBondContact O-N 3.45Å; Y150-F155 VanDerWaalsContact O-N 3.11Å; R153-F155 HydrophobicContact CB-CD2 4.34Å; R153-F155 WeakPolarHBondContact O-CD2 3.4Å; R153-F155 PolarHBondContact O-N 2.65Å; R153-F155 VanDerWaalsContact O-N 3.15Å; F155-Y177 HydrophobicContact CB-CD1 3.86Å; F155-V178 WeakPolarHBondContact CA-O 3.31Å; F155-L179 HydrophobicContact CD1-CB 3.71Å; F155-L179 HydrophobicContact CD2-CB 3.84Å; F155-L179 HydrophobicContact CD2-CD2 4.23Å; F155-L179 HydrophobicContact CE1-CB 3.6Å; F155-L179 HydrophobicContact CE2-CB 3.71Å; F155-L179 HydrophobicContact CE2-CD2 3.64Å; F155-L179 HydrophobicContact CE2-CG 4.28Å; F155-L179 HydrophobicContact CG-CB 3.82Å; F155-L179 HydrophobicContact CZ-CB 3.6Å; F155-L179 HydrophobicContact CZ-CD2 3.98Å; F155-L179 HydrophobicContact CZ-CG 4.45Å
156	R	98.3	Very high	97.8	Very high	163 Å²	163	69.3 Å²	69.3	62%	0.615	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.2	176.6	-58.7	-60.7	-179.8	175.5	-3.7	109.5	H158 Y177 V178	R156-H158 PolarHBondContact O-N 3.29Å; R156-Y177 VanDerWaalsContact C-CD1 3.47Å; R156-Y177 CarbonylContact O-C 3.6Å; R156-Y177 WeakPolarHBondContact O-CA 3.48Å; R156-V178 PolarHBondContact N-O 2.82Å; R156-V178 PolarHBondContact O-N 2.92Å
157	Q	98.4	Very high	97.5	Very high	94 Å²	94	69.9 Å²	69.9	44%	0.439	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.3	169.6	-169.3	-171.9	-60.7	0	0	108.4	F175 Y177	Q157-F175 VanDerWaalsContact CD-CD1 3.46Å; Q157-F175 HydrophobicContact CG-CB 4.16Å; Q157-F175 HydrophobicContact CG-CD1 3.91Å; Q157-F175 HydrophobicContact CG-CE1 4.5Å; Q157-F175 HydrophobicContact CG-CG 4.06Å; Q157-Y177 HydrophobicContact CB-CE1 3.99Å; Q157-Y177 HydrophobicContact CB-CE2 4.02Å; Q157-Y177 HydrophobicContact CG-CE2 4.06Å
158	H	97.2	Very high	97.2	Very high	48 Å²	48	80.2 Å²	80.2	22%	0.222	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-54	-178	-175	72.9	0	0	0	110.9	D83 R156 T176 V178	D83-H158 IonicContact OD1-CD2 3.53Å; D83-H158 IonicContact OD1-CE1 3.72Å; D83-H158 IonicContact OD1-NE2 3.45Å; D83-H158 PolarHBondContact OD1-NE2 2.97Å; D83-H158 IonicContact OD2-NE2 3.71Å; R156-H158 PolarHBondContact O-N 3.29Å; H158-T176 HydrophobicContact CB-CG2 4.3Å; H158-T176 PolarHBondContact N-O 3.14Å; H158-V178 HydrophobicContact CB-CB 4.4Å; H158-V178 HydrophobicContact CB-CG2 3.59Å
159	H	98	Very high	96.8	Very high	40 Å²	40	78.3 Å²	78.3	19%	0.185	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.2	-180	-70.5	164.4	0	0	0	113.1	E80 D83 L161 F175 T176	E80-H159 PolarHBondContact O-CE1 3.49Å; E80-H159 PolarHBondContact O-ND1 3.17Å; D83-H159 VanDerWaalsContact CG-CE1 3.47Å; D83-H159 VanDerWaalsContact CG-NE2 3.32Å; D83-H159 IonicContact OD1-CE1 3.54Å; D83-H159 PolarHBondContact OD1-CE1 2.93Å; D83-H159 IonicContact OD1-ND1 2.71Å; D83-H159 IonicContact OD1-NE2 3.14Å; D83-H159 PolarHBondContact OD1-NE2 2.96Å; D83-H159 IonicContact OD2-CE1 2.76Å; D83-H159 PolarHBondContact OD2-CE1 3.18Å; D83-H159 IonicContact OD2-NE2 3.54Å; D83-H159 PolarHBondContact OD2-NE2 3.22Å; H159-L161 HydrophobicContact CB-CD2 4.07Å; H159-F175 CarbonylContact O-C 3.27Å; H159-F175 VanDerWaalsContact O-CA 3.26Å; H159-F175 WeakPolarHBondContact O-CA 3.34Å; H159-T176 PolarHBondContact O-N 2.76Å
160	Y	98.4	Very high	96.6	Very high	120 Å²	120	80 Å²	80	47%	0.471	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128	160	168.6	-103	0	0	0	109.1	T141 P162 D173 F175	T141-Y160 HydrophobicContact CG2-CD2 4.06Å; T141-Y160 HydrophobicContact CG2-CE2 3.99Å; Y160-P162 HydrophobicContact CE1-CB 3.9Å; Y160-P162 HydrophobicContact CE1-CG 4.39Å; Y160-D173 HydrophobicContact CD2-CB 4.44Å; Y160-D173 HydrophobicContact CE2-CB 3.53Å; Y160-D173 PolarHBondContact OH-OD2 3.15Å; Y160-F175 HydrophobicContact CD2-CD1 4.07Å; Y160-F175 AromaticContact CD2-CE1 3.59Å; Y160-F175 HydrophobicContact CD2-CE1 3.59Å; Y160-F175 HydrophobicContact CD2-CZ 4.38Å; Y160-F175 HydrophobicContact CG-CE1 4.25Å
161	L	98.1	Very high	96.5	Very high	14 Å²	14	83.8 Å²	83.8	7%	0.073	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97	-175.4	-56.3	178.9	0	0	0	109	E80 H138 H159 Y163 Y164 D173 G174 T176	E80-L161 HydrophobicContact CB-CD2 4.09Å; E80-L161 HydrophobicContact CG-CD2 4.41Å; H138-L161 WeakPolarHBondContact CD2-CD1 3.32Å; H159-L161 HydrophobicContact CB-CD2 4.07Å; L161-Y163 PolarHBondContact O-N 2.88Å; L161-Y164 HydrophobicContact CB-CD2 3.96Å; L161-Y164 HydrophobicContact CB-CG 3.93Å; L161-Y164 HydrophobicContact CD1-CD1 4.19Å; L161-Y164 HydrophobicContact CD1-CD2 3.61Å; L161-Y164 HydrophobicContact CD1-CE1 4.29Å; L161-Y164 HydrophobicContact CD1-CE2 3.72Å; L161-Y164 HydrophobicContact CD1-CG 3.85Å; L161-Y164 HydrophobicContact CG-CD2 4.38Å; L161-D173 WeakPolarHBondContact O-CA 3.43Å; L161-G174 PolarHBondContact N-O 2.78Å; L161-G174 PolarHBondContact O-N 3.14Å; L161-T176 WeakPolarHBondContact CD1-OG1 3.3Å
162	P	97.9	Very high	96.5	Very high	79 Å²	79	84.7 Å²	84.7	51%	0.513	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.4	-179.5	27	-33.5	0	0	0	110.6	Y160 Y164 D173	Y160-P162 HydrophobicContact CE1-CB 3.9Å; Y160-P162 HydrophobicContact CE1-CG 4.39Å; P162-Y164 PolarHBondContact O-N 2.9Å; P162-Y164 VanDerWaalsContact O-N 3.1Å; P162-D173 WeakPolarHBondContact CA-OD1 3.47Å
163	Y	96.6	Very high	96.5	Very high	159 Å²	159	80.4 Å²	80.4	62%	0.624	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.1	26.7	175.5	-55.5	-58.6	0	0	0	115.6	L161 Y165 L171 K172 D173	L161-Y163 PolarHBondContact O-N 2.88Å; Y163-Y165 PolarHBondContact O-N 3.04Å; Y163-L171 HydrophobicContact CD1-CB 3.54Å; Y163-L171 HydrophobicContact CD1-CD1 4.31Å; Y163-L171 HydrophobicContact CE1-CB 4.48Å; Y163-L171 HydrophobicContact CG-CB 4.08Å; Y163-L171 HydrophobicContact CG-CD1 4.27Å; Y163-K172 CarbonylContact C-O 3.41Å; Y163-K172 VanDerWaalsContact C-O 3.27Å; Y163-K172 WeakPolarHBondContact CA-O 3.43Å; Y163-D173 PolarHBondContact N-OD1 2.77Å
164	Y	96.8	Very high	96.5	Very high	78 Å²	78	77.7 Å²	77.7	31%	0.306	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-35.8	-175	-171.9	-106.1	0	0	0	114.5	E80 H138 L161 P162 K172	E80-Y164 HydrophobicContact CG-CE2 4.41Å; H138-Y164 HydrophobicContact CB-CE1 3.89Å; H138-Y164 AromaticContact CD2-CE1 3.97Å; H138-Y164 AromaticContact CD2-CZ 3.97Å; H138-Y164 AromaticContact CE1-CZ 3.94Å; H138-Y164 PolarHBondContact CE1-OH 3.23Å; H138-Y164 AromaticContact CG-CE1 3.68Å; H138-Y164 AromaticContact CG-CZ 3.91Å; H138-Y164 AromaticContact ND1-CZ 3.9Å; H138-Y164 PolarHBondContact ND1-OH 3.41Å; H138-Y164 AromaticContact NE2-CZ 3.98Å; L161-Y164 HydrophobicContact CB-CD2 3.96Å; L161-Y164 HydrophobicContact CB-CG 3.93Å; L161-Y164 HydrophobicContact CD1-CD1 4.19Å; L161-Y164 HydrophobicContact CD1-CD2 3.61Å; L161-Y164 HydrophobicContact CD1-CE1 4.29Å; L161-Y164 HydrophobicContact CD1-CE2 3.72Å; L161-Y164 HydrophobicContact CD1-CG 3.85Å; L161-Y164 HydrophobicContact CG-CD2 4.38Å; P162-Y164 PolarHBondContact O-N 2.9Å; P162-Y164 VanDerWaalsContact O-N 3.1Å; Y164-K172 PolarHBondContact N-O 3.35Å
165	Y	95	Very high	96.5	Very high	34 Å²	34	74.2 Å²	74.2	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.1	-178.2	-64.4	-72.8	0	0	0	111.8	I36 H138 V139 L140 Y163 L171 K172	I36-Y165 HydrophobicContact CD1-CD1 3.26Å; I36-Y165 HydrophobicContact CD1-CE1 3.52Å; I36-Y165 HydrophobicContact CD1-CG 4.05Å; I36-Y165 HydrophobicContact CG1-CD1 4.28Å; H138-Y165 WeakPolarHBondContact CB-OH 3.43Å; H138-Y165 PolarHBondContact O-OH 3.38Å; V139-Y165 PolarHBondContact N-OH 3.36Å; L140-Y165 HydrophobicContact CD2-CD2 3.34Å; L140-Y165 HydrophobicContact CD2-CE2 3.95Å; L140-Y165 HydrophobicContact CD2-CG 3.85Å; L140-Y165 HydrophobicContact CG-CD2 3.9Å; L140-Y165 HydrophobicContact CG-CE2 3.99Å; L140-Y165 HydrophobicContact CG-CG 4.46Å; Y163-Y165 PolarHBondContact O-N 3.04Å; Y165-L171 CarbonylContact O-C 3.59Å; Y165-L171 VanDerWaalsContact O-CA 3.3Å; Y165-L171 WeakPolarHBondContact O-CA 3.48Å; Y165-K172 PolarHBondContact N-O 2.93Å; Y165-K172 PolarHBondContact O-N 3.17Å
166	S	94	Very high	96.5	Very high	67 Å²	67	74.2 Å²	74.2	47%	0.469	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.2	167.3	-176.2	0	0	0	0	109.7
167	I	93.3	Very high	96.5	Very high	30 Å²	30	66.5 Å²	66.5	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.7	178.5	-65.3	175.2	0	0	0	107.4	P35 I36 L140 G169 V170 K172	P35-I167 HydrophobicContact CB-CD1 3.91Å; P35-I167 HydrophobicContact CB-CG1 4.26Å; P35-I167 HydrophobicContact CB-CG2 3.93Å; P35-I167 HydrophobicContact CG-CD1 3.47Å; P35-I167 VanDerWaalsContact CG-CD1 3.47Å; P35-I167 HydrophobicContact CG-CG1 4.17Å; P35-I167 WeakPolarHBondContact O-CG2 3.42Å; I36-I167 HydrophobicContact CG1-CG1 4.13Å; L140-I167 HydrophobicContact CD1-CD1 3.87Å; L140-I167 HydrophobicContact CD2-CD1 3.91Å; I167-G169 PolarHBondContact O-N 2.89Å; I167-V170 PolarHBondContact N-O 3.03Å; I167-V170 WeakPolarHBondContact O-CB 3.28Å; I167-V170 PolarHBondContact O-N 2.86Å; I167-K172 HydrophobicContact CD1-CG 4.06Å; I167-K172 HydrophobicContact CG1-CG 4.48Å
168	R	90.4	Very high	96.5	Very high	228 Å²	228	62.1 Å²	62.1	86%	0.86	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	42.5	-178.1	-56.6	179.8	-178.8	179.6	-0.3	112.5	V170	R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 3.27Å
169	G	90.9	Very high	96.6	Very high	65 Å²	65	60.8 Å²	60.8	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-2.4	-179.1	0	0	0	0	0	115.4	I167	I167-G169 PolarHBondContact O-N 2.89Å
170	V	95.3	Very high	96.6	Very high	76 Å²	76	62 Å²	62	46%	0.461	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.6	176.2	-176.6	0	0	0	0	109.8	I167 R168 K172	I167-V170 PolarHBondContact N-O 3.03Å; I167-V170 WeakPolarHBondContact O-CB 3.28Å; I167-V170 PolarHBondContact O-N 2.86Å; R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 3.27Å; V170-K172 HydrophobicContact CG1-CD 4.47Å
171	L	96.8	Very high	96.6	Very high	97 Å²	97	57.9 Å²	57.9	51%	0.508	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.3	176.9	-58.5	176.6	0	0	0	111.2	Y163 Y165	Y163-L171 HydrophobicContact CD1-CB 3.54Å; Y163-L171 HydrophobicContact CD1-CD1 4.31Å; Y163-L171 HydrophobicContact CE1-CB 4.48Å; Y163-L171 HydrophobicContact CG-CB 4.08Å; Y163-L171 HydrophobicContact CG-CD1 4.27Å; Y165-L171 CarbonylContact O-C 3.59Å; Y165-L171 VanDerWaalsContact O-CA 3.3Å; Y165-L171 WeakPolarHBondContact O-CA 3.48Å
172	K	97.3	Very high	96.5	Very high	95 Å²	95	60.1 Å²	60.1	41%	0.413	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.7	-178.4	-62	-64.2	-177.9	-173.6	0	110.6	L140 Y163 Y164 Y165 I167 V170	L140-K172 HydrophobicContact CD2-CB 3.87Å; Y163-K172 CarbonylContact C-O 3.41Å; Y163-K172 VanDerWaalsContact C-O 3.27Å; Y163-K172 WeakPolarHBondContact CA-O 3.43Å; Y164-K172 PolarHBondContact N-O 3.35Å; Y165-K172 PolarHBondContact N-O 2.93Å; Y165-K172 PolarHBondContact O-N 3.17Å; I167-K172 HydrophobicContact CD1-CG 4.06Å; I167-K172 HydrophobicContact CG1-CG 4.48Å; V170-K172 HydrophobicContact CG1-CD 4.47Å
173	D	98.2	Very high	96.4	Very high	39 Å²	39	59.3 Å²	59.3	21%	0.209	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	154.8	-177.6	-51.4	-28.3	0	0	0	111.9	T141 Y160 L161 P162 Y163	T141-D173 HydrophobicContact CG2-CB 3.63Å; T141-D173 PolarHBondContact N-O 2.96Å; Y160-D173 HydrophobicContact CD2-CB 4.44Å; Y160-D173 HydrophobicContact CE2-CB 3.53Å; Y160-D173 PolarHBondContact OH-OD2 3.15Å; L161-D173 WeakPolarHBondContact O-CA 3.43Å; P162-D173 WeakPolarHBondContact CA-OD1 3.47Å; Y163-D173 PolarHBondContact N-OD1 2.77Å
174	G	98.3	Very high	96.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	166.1	173.1	0	0	0	0	0	112.7	V139 L161	V139-G174 CarbonylContact O-C 3.53Å; V139-G174 VanDerWaalsContact O-CA 3.25Å; V139-G174 WeakPolarHBondContact O-CA 3.24Å; L161-G174 PolarHBondContact N-O 2.78Å; L161-G174 PolarHBondContact O-N 3.14Å
175	F	98.7	Very high	96.3	Very high	33 Å²	33	50.5 Å²	50.5	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.8	163.2	-67.8	-54.1	0	0	0	109.7	H138 V139 T141 I147 Q157 H159 Y160 Y177	H138-F175 VanDerWaalsContact CA-O 3.32Å; H138-F175 WeakPolarHBondContact CA-O 3.47Å; V139-F175 HydrophobicContact CG1-CB 4Å; V139-F175 PolarHBondContact N-O 2.85Å; V139-F175 PolarHBondContact O-N 2.82Å; T141-F175 HydrophobicContact CG2-CD1 4.1Å; T141-F175 HydrophobicContact CG2-CD2 3.76Å; T141-F175 HydrophobicContact CG2-CE1 3.9Å; T141-F175 HydrophobicContact CG2-CE2 3.55Å; T141-F175 HydrophobicContact CG2-CG 4.02Å; T141-F175 HydrophobicContact CG2-CZ 3.61Å; I147-F175 HydrophobicContact CD1-CD2 4.13Å; I147-F175 HydrophobicContact CD1-CE2 4.24Å; Q157-F175 VanDerWaalsContact CD-CD1 3.46Å; Q157-F175 HydrophobicContact CG-CB 4.16Å; Q157-F175 HydrophobicContact CG-CD1 3.91Å; Q157-F175 HydrophobicContact CG-CE1 4.5Å; Q157-F175 HydrophobicContact CG-CG 4.06Å; H159-F175 CarbonylContact O-C 3.27Å; H159-F175 VanDerWaalsContact O-CA 3.26Å; H159-F175 WeakPolarHBondContact O-CA 3.34Å; Y160-F175 HydrophobicContact CD2-CD1 4.07Å; Y160-F175 AromaticContact CD2-CE1 3.59Å; Y160-F175 HydrophobicContact CD2-CE1 3.59Å; Y160-F175 HydrophobicContact CD2-CZ 4.38Å; Y160-F175 HydrophobicContact CG-CE1 4.25Å; F175-Y177 HydrophobicContact CB-CD2 3.98Å; F175-Y177 HydrophobicContact CB-CE2 3.82Å; F175-Y177 HydrophobicContact CD2-CE2 4.31Å; F175-Y177 HydrophobicContact CG-CE2 4.35Å
176	T	98.8	Very high	96.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.9	161.4	-53.9	0	0	0	0	108.2	D81 I84 Y136 L137 H138 H158 H159 L161 V178	D81-T176 WeakPolarHBondContact OD1-CB 3.37Å; D81-T176 WeakPolarHBondContact OD1-CG2 3.5Å; D81-T176 PolarHBondContact OD1-OG1 3.48Å; I84-T176 HydrophobicContact CD1-CG2 4.08Å; Y136-T176 HydrophobicContact CD2-CG2 4.33Å; L137-T176 WeakPolarHBondContact O-CA 3.47Å; H138-T176 PolarHBondContact CD2-OG1 2.82Å; H138-T176 PolarHBondContact NE2-OG1 3Å; H158-T176 HydrophobicContact CB-CG2 4.3Å; H158-T176 PolarHBondContact N-O 3.14Å; H159-T176 PolarHBondContact O-N 2.76Å; L161-T176 WeakPolarHBondContact CD1-OG1 3.3Å; T176-V178 HydrophobicContact CG2-CG2 4.08Å
177	Y	98.8	Very high	96.2	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.4	170	-90.6	-99.7	0	0	0	110.2	Y136 L137 V139 I147 E151 F155 R156 Q157 F175	Y136-Y177 CarbonylContact C-O 3.59Å; Y136-Y177 WeakPolarHBondContact CA-O 3.24Å; Y136-Y177 WeakPolarHBondContact CB-O 3.47Å; L137-Y177 PolarHBondContact N-O 3.12Å; L137-Y177 PolarHBondContact O-N 2.89Å; V139-Y177 HydrophobicContact CG1-CD2 3.63Å; V139-Y177 HydrophobicContact CG1-CE2 3.81Å; I147-Y177 HydrophobicContact CG1-CE2 4.26Å; I147-Y177 WeakPolarHBondContact CG2-OH 3.37Å; E151-Y177 HydrophobicContact CG-CE1 3.56Å; E151-Y177 PolarHBondContact OE1-OH 2.98Å; F155-Y177 HydrophobicContact CB-CD1 3.86Å; R156-Y177 VanDerWaalsContact C-CD1 3.47Å; R156-Y177 CarbonylContact O-C 3.6Å; R156-Y177 WeakPolarHBondContact O-CA 3.48Å; Q157-Y177 HydrophobicContact CB-CE1 3.99Å; Q157-Y177 HydrophobicContact CB-CE2 4.02Å; Q157-Y177 HydrophobicContact CG-CE2 4.06Å; F175-Y177 HydrophobicContact CB-CD2 3.98Å; F175-Y177 HydrophobicContact CB-CE2 3.82Å; F175-Y177 HydrophobicContact CD2-CE2 4.31Å; F175-Y177 HydrophobicContact CG-CE2 4.35Å
178	V	98.8	Very high	95.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.1	-175.8	-175.7	0	0	0	0	110.7	I84 A134 I135 F155 R156 H158 T176 Y180	I84-V178 HydrophobicContact CD1-CG2 3.92Å; I84-V178 HydrophobicContact CG1-CG2 3.91Å; I84-V178 HydrophobicContact CG2-CG1 3.94Å; I84-V178 HydrophobicContact CG2-CG2 4.21Å; A134-V178 HydrophobicContact CB-CG1 4.06Å; I135-V178 CarbonylContact O-C 3.57Å; I135-V178 WeakPolarHBondContact O-CA 3.38Å; F155-V178 WeakPolarHBondContact CA-O 3.31Å; R156-V178 PolarHBondContact N-O 2.82Å; R156-V178 PolarHBondContact O-N 2.92Å; H158-V178 HydrophobicContact CB-CB 4.4Å; H158-V178 HydrophobicContact CB-CG2 3.59Å; T176-V178 HydrophobicContact CG2-CG2 4.08Å; V178-Y180 HydrophobicContact CB-CE2 4.45Å; V178-Y180 HydrophobicContact CG1-CD1 4.2Å; V178-Y180 HydrophobicContact CG1-CD2 4.19Å; V178-Y180 HydrophobicContact CG1-CE1 3.83Å; V178-Y180 HydrophobicContact CG1-CE2 3.81Å; V178-Y180 HydrophobicContact CG1-CG 4.37Å
179	L	98.8	Very high	95.1	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.105	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.9	164.8	174.4	65.6	0	0	0	108.7	K121 A134 I135 D154 F155 I181	K121-L179 VanDerWaalsContact CE-CD2 3.47Å; A134-L179 CarbonylContact C-O 3.57Å; A134-L179 WeakPolarHBondContact CA-O 3.47Å; I135-L179 HydrophobicContact CB-CB 4.47Å; I135-L179 HydrophobicContact CD1-CD2 4.48Å; I135-L179 PolarHBondContact N-O 2.64Å; I135-L179 PolarHBondContact O-N 2.8Å; D154-L179 HydrophobicContact CB-CD1 3.91Å; F155-L179 HydrophobicContact CD1-CB 3.71Å; F155-L179 HydrophobicContact CD2-CB 3.84Å; F155-L179 HydrophobicContact CD2-CD2 4.23Å; F155-L179 HydrophobicContact CE1-CB 3.6Å; F155-L179 HydrophobicContact CE2-CB 3.71Å; F155-L179 HydrophobicContact CE2-CD2 3.64Å; F155-L179 HydrophobicContact CE2-CG 4.28Å; F155-L179 HydrophobicContact CG-CB 3.82Å; F155-L179 HydrophobicContact CZ-CB 3.6Å; F155-L179 HydrophobicContact CZ-CD2 3.98Å; F155-L179 HydrophobicContact CZ-CG 4.45Å; L179-I181 HydrophobicContact CD2-CG2 4.39Å; L179-I181 HydrophobicContact CG-CG2 4.2Å
180	Y	98.3	Very high	94.4	Very high	64 Å²	64	49.3 Å²	49.3	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137	174.2	-67.3	-71	0	0	0	111.4	I84 L85 A134 V178 G184 P186	I84-Y180 HydrophobicContact CG2-CE1 4.32Å; I84-Y180 WeakPolarHBondContact O-CE1 3.44Å; I84-Y180 VanDerWaalsContact O-CZ 3.28Å; I84-Y180 PolarHBondContact O-OH 2.82Å; L85-Y180 HydrophobicContact CD2-CD1 4.32Å; L85-Y180 HydrophobicContact CD2-CE1 4.09Å; A134-Y180 HydrophobicContact CB-CD1 4.03Å; A134-Y180 HydrophobicContact CB-CE1 4.22Å; V178-Y180 HydrophobicContact CB-CE2 4.45Å; V178-Y180 HydrophobicContact CG1-CD1 4.2Å; V178-Y180 HydrophobicContact CG1-CD2 4.19Å; V178-Y180 HydrophobicContact CG1-CE1 3.83Å; V178-Y180 HydrophobicContact CG1-CE2 3.81Å; V178-Y180 HydrophobicContact CG1-CG 4.37Å; Y180-G184 VanDerWaalsContact CB-O 3.3Å; Y180-G184 WeakPolarHBondContact CB-O 3.2Å; Y180-G184 VanDerWaalsContact CD1-C 3.47Å; Y180-P186 HydrophobicContact CE2-CG 4.31Å; Y180-P186 VanDerWaalsContact CZ-CD 3.46Å; Y180-P186 WeakPolarHBondContact OH-CB 3.47Å
181	I	98	Very high	93.5	Very high	34 Å²	34	52.9 Å²	52.9	17%	0.174	28%	0.282	C	S	.	.			trans	-135	160.1	-179.5	58.7	170.8	0	0	0	109.7	I124 C132 K133 I135 L179 G183 G184	I124-I181 HydrophobicContact CG2-CD1 3.74Å; C132-I181 HydrophobicContact CB-CD1 4.44Å; K133-I181 CarbonylContact C-O 3.48Å; K133-I181 WeakPolarHBondContact CA-O 3.44Å; K133-I181 PolarHBondContact O-N 3.21Å; I135-I181 HydrophobicContact CD1-CD1 4.38Å; I135-I181 HydrophobicContact CG1-CD1 4.03Å; L179-I181 HydrophobicContact CD2-CG2 4.39Å; L179-I181 HydrophobicContact CG-CG2 4.2Å; I181-G183 PolarHBondContact O-N 3.16Å; I181-G184 PolarHBondContact O-N 3.29Å
182	N	96.5	Very high	92.7	Very high	62 Å²	62	51.1 Å²	51.1	33%	0.332	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.3	172.3	-53.5	-38.9	0	0	0	114.5	Q129 C132 K133	Q129-N182 VanDerWaalsContact O-CG 3.27Å; Q129-N182 PolarHBondContact O-ND2 2.87Å; C132-N182 WeakPolarHBondContact O-CB 3.35Å; C132-N182 PolarHBondContact O-ND2 2.87Å; K133-N182 HydrophobicContact CD-CB 4.08Å; K133-N182 WeakPolarHBondContact CD-O 3.43Å; K133-N182 PolarHBondContact NZ-O 3.25Å
183	G	94.6	Very high	91.8	Very high	62 Å²	62	51.7 Å²	51.7	64%	0.639	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	9.7	-179.4	0	0	0	0	0	115.3	F89 I181	F89-G183 WeakPolarHBondContact CZ-O 3.44Å; I181-G183 PolarHBondContact O-N 3.16Å
184	G	96.6	Very high	91	Very high	12 Å²	12	54.8 Å²	54.8	12%	0.124	29%	0.289	C	S	.	.			trans	-60.2	149.5	172	0	0	0	0	0	112.9	K133 Y180 I181	K133-G184 WeakPolarHBondContact O-CA 3.44Å; Y180-G184 VanDerWaalsContact CB-O 3.3Å; Y180-G184 WeakPolarHBondContact CB-O 3.2Å; Y180-G184 VanDerWaalsContact CD1-C 3.47Å; I181-G184 PolarHBondContact O-N 3.29Å
185	H	95.4	Very high	90	Very high	39 Å²	39	60.8 Å²	60.8	18%	0.181	32%	0.317	C	S	.	.			trans	-159.6	158.1	176	62.7	81.8	0	0	0	110.7	A86 F89 W188	A86-H185 VanDerWaalsContact CB-CE1 3.47Å; A86-H185 WeakPolarHBondContact CB-CE1 3.3Å; A86-H185 PolarHBondContact N-O 3.38Å; F89-H185 AromaticContact CE2-CD2 3.74Å; F89-H185 AromaticContact CE2-NE2 3.7Å; F89-H185 AromaticContact CZ-CD2 3.56Å; F89-H185 AromaticContact CZ-NE2 3.67Å; H185-W188 AromaticContact CG-NE1 3.84Å; H185-W188 AromaticContact ND1-CD1 3.78Å; H185-W188 AromaticContact ND1-CE2 3.97Å; H185-W188 AromaticContact ND1-NE1 3.55Å
186	P	95	Very high	89.2	Confident	43 Å²	43	63.6 Å²	63.6	28%	0.279	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69	166.7	173.1	28.7	-31.1	0	0	0	110.7	I84 Y180 W188	I84-P186 WeakPolarHBondContact O-CA 3.4Å; Y180-P186 HydrophobicContact CE2-CG 4.31Å; Y180-P186 VanDerWaalsContact CZ-CD 3.46Å; Y180-P186 WeakPolarHBondContact OH-CB 3.47Å; P186-W188 VanDerWaalsContact O-CD1 3.28Å; P186-W188 PolarHBondContact O-N 2.71Å; P186-W188 VanDerWaalsContact O-N 3.14Å
187	P	91.5	Very high	88.5	Confident	59 Å²	59	68 Å²	68	38%	0.383	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-52.6	119.8	166.5	-19.2	28.1	0	0	0	110.1	D83	D83-P187 HydrophobicContact CB-CG 4.13Å; D83-P187 WeakPolarHBondContact O-CD 3.36Å
188	W	81.9	Confident	87.7	Confident	80 Å²	80	69.8 Å²	69.8	30%	0.303	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-79.7	138.3	175.6	-74.6	2	0	0	0	110.2	H185 P186 D192 Y193 H196	H185-W188 AromaticContact CG-NE1 3.84Å; H185-W188 AromaticContact ND1-CD1 3.78Å; H185-W188 AromaticContact ND1-CE2 3.97Å; H185-W188 AromaticContact ND1-NE1 3.55Å; P186-W188 VanDerWaalsContact O-CD1 3.28Å; P186-W188 PolarHBondContact O-N 2.71Å; P186-W188 VanDerWaalsContact O-N 3.14Å; W188-D192 HydrophobicContact CB-CB 3.96Å; W188-D192 HydrophobicContact CD2-CB 4.5Å; W188-D192 HydrophobicContact CG-CB 4.07Å; W188-Y193 HydrophobicContact CB-CD2 3.62Å; W188-Y193 HydrophobicContact CB-CE2 3.55Å; W188-Y193 HydrophobicContact CD2-CE2 4.35Å; W188-Y193 AromaticContact CE3-CD1 3.62Å; W188-Y193 HydrophobicContact CE3-CD1 3.62Å; W188-Y193 AromaticContact CE3-CD2 3.85Å; W188-Y193 HydrophobicContact CE3-CD2 3.85Å; W188-Y193 AromaticContact CE3-CE1 3.56Å; W188-Y193 HydrophobicContact CE3-CE1 3.56Å; W188-Y193 AromaticContact CE3-CE2 3.82Å; W188-Y193 HydrophobicContact CE3-CE2 3.82Å; W188-Y193 AromaticContact CE3-CG 3.75Å; W188-Y193 HydrophobicContact CE3-CG 3.75Å; W188-Y193 AromaticContact CE3-CZ 3.66Å; W188-Y193 HydrophobicContact CG-CD2 4.49Å; W188-Y193 HydrophobicContact CG-CE2 4.32Å; W188-Y193 AromaticContact CZ3-CD1 3.92Å; W188-Y193 HydrophobicContact CZ3-CD1 3.92Å; W188-Y193 AromaticContact CZ3-CE1 3.84Å; W188-Y193 HydrophobicContact CZ3-CE1 3.84Å; W188-Y193 HydrophobicContact CZ3-CG 4.44Å; W188-H196 HydrophobicContact CH2-CB 4.07Å; W188-H196 AromaticContact CH2-CD2 3.57Å; W188-H196 AromaticContact CH2-CE1 3.94Å; W188-H196 AromaticContact CH2-CG 3.52Å; W188-H196 AromaticContact CH2-ND1 3.76Å; W188-H196 AromaticContact CH2-NE2 3.84Å; W188-H196 HydrophobicContact CZ3-CB 3.86Å; W188-H196 AromaticContact CZ3-CD2 3.66Å; W188-H196 AromaticContact CZ3-CG 3.7Å
189	T	78.6	Confident	86.8	Confident	79 Å²	79	73 Å²	73	49%	0.485	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-71.4	164.6	162.9	72	0	0	0	0	109.8	F191 D192 Y193	T189-F191 PolarHBondContact O-N 3.49Å; T189-F191 PolarHBondContact OG1-N 2.89Å; T189-D192 VanDerWaalsContact CB-OD2 3.32Å; T189-D192 WeakPolarHBondContact CB-OD2 3.22Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.49Å; T189-D192 PolarHBondContact N-OD2 3.18Å; T189-D192 PolarHBondContact O-N 3.04Å; T189-D192 VanDerWaalsContact O-N 3.14Å; T189-D192 PolarHBondContact OG1-N 3.27Å; T189-D192 PolarHBondContact OG1-OD2 2.94Å; T189-Y193 PolarHBondContact O-N 2.93Å; T189-Y193 VanDerWaalsContact O-N 3.16Å
190	I	76.9	Confident	85.9	Confident	138 Å²	138	74.9 Å²	74.9	71%	0.708	41%	0.407	S	S	*	.	H	α-helix	trans	-58.2	-35.6	174.8	-63.3	170.5	0	0	0	110.7	Y193 I194	I190-Y193 PolarHBondContact O-N 2.92Å; I190-I194 HydrophobicContact CG2-CD1 3.95Å; I190-I194 WeakPolarHBondContact O-CG1 3.3Å; I190-I194 PolarHBondContact O-N 3.18Å
191	F	76.4	Confident	85.1	Confident	151 Å²	151	76.8 Å²	76.8	66%	0.662	42%	0.42	S	S	*	.	H	α-helix	trans	-64.3	-41.8	177.1	-104	-89	0	0	0	112.1	T189 Y193 I194 Q195	T189-F191 PolarHBondContact O-N 3.49Å; T189-F191 PolarHBondContact OG1-N 2.89Å; F191-Y193 VanDerWaalsContact C-N 3.32Å; F191-Y193 PolarHBondContact O-N 2.92Å; F191-I194 PolarHBondContact O-N 3.05Å; F191-Q195 WeakPolarHBondContact O-CG 3.34Å; F191-Q195 PolarHBondContact O-N 2.88Å
192	D	80.2	Confident	84	Confident	61 Å²	61	79.1 Å²	79.1	33%	0.326	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-41.1	177.5	-56.1	-44.6	0	0	0	111	W188 T189 Q195 H196	W188-D192 HydrophobicContact CB-CB 3.96Å; W188-D192 HydrophobicContact CD2-CB 4.5Å; W188-D192 HydrophobicContact CG-CB 4.07Å; T189-D192 VanDerWaalsContact CB-OD2 3.32Å; T189-D192 WeakPolarHBondContact CB-OD2 3.22Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.49Å; T189-D192 PolarHBondContact N-OD2 3.18Å; T189-D192 PolarHBondContact O-N 3.04Å; T189-D192 VanDerWaalsContact O-N 3.14Å; T189-D192 PolarHBondContact OG1-N 3.27Å; T189-D192 PolarHBondContact OG1-OD2 2.94Å; D192-Q195 PolarHBondContact O-N 3.02Å; D192-H196 VanDerWaalsContact O-CB 3.28Å; D192-H196 WeakPolarHBondContact O-CB 3.49Å; D192-H196 PolarHBondContact O-N 2.74Å
193	Y	77.3	Confident	83.1	Confident	107 Å²	107	80.6 Å²	80.6	42%	0.42	46%	0.46	S	S	.	.	H	α-helix	trans	-60.2	-46.5	173.5	-93.9	-75.1	0	0	0	112.4	W188 T189 I190 F191 H196 I197	W188-Y193 HydrophobicContact CB-CD2 3.62Å; W188-Y193 HydrophobicContact CB-CE2 3.55Å; W188-Y193 HydrophobicContact CD2-CE2 4.35Å; W188-Y193 AromaticContact CE3-CD1 3.62Å; W188-Y193 HydrophobicContact CE3-CD1 3.62Å; W188-Y193 AromaticContact CE3-CD2 3.85Å; W188-Y193 HydrophobicContact CE3-CD2 3.85Å; W188-Y193 AromaticContact CE3-CE1 3.56Å; W188-Y193 HydrophobicContact CE3-CE1 3.56Å; W188-Y193 AromaticContact CE3-CE2 3.82Å; W188-Y193 HydrophobicContact CE3-CE2 3.82Å; W188-Y193 AromaticContact CE3-CG 3.75Å; W188-Y193 HydrophobicContact CE3-CG 3.75Å; W188-Y193 AromaticContact CE3-CZ 3.66Å; W188-Y193 HydrophobicContact CG-CD2 4.49Å; W188-Y193 HydrophobicContact CG-CE2 4.32Å; W188-Y193 AromaticContact CZ3-CD1 3.92Å; W188-Y193 HydrophobicContact CZ3-CD1 3.92Å; W188-Y193 AromaticContact CZ3-CE1 3.84Å; W188-Y193 HydrophobicContact CZ3-CE1 3.84Å; W188-Y193 HydrophobicContact CZ3-CG 4.44Å; T189-Y193 PolarHBondContact O-N 2.93Å; T189-Y193 VanDerWaalsContact O-N 3.16Å; I190-Y193 PolarHBondContact O-N 2.92Å; F191-Y193 VanDerWaalsContact C-N 3.32Å; F191-Y193 PolarHBondContact O-N 2.92Å; Y193-H196 PolarHBondContact O-N 3.48Å; Y193-I197 WeakPolarHBondContact O-CB 3.31Å; Y193-I197 VanDerWaalsContact O-CG1 3.3Å; Y193-I197 WeakPolarHBondContact O-CG1 2.95Å; Y193-I197 PolarHBondContact O-N 2.86Å
194	I	81.6	Confident	81.9	Confident	103 Å²	103	81.6 Å²	81.6	53%	0.528	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-44	179.6	-68.3	168.2	0	0	0	110.6	I190 F191 I197 G198	I190-I194 HydrophobicContact CG2-CD1 3.95Å; I190-I194 WeakPolarHBondContact O-CG1 3.3Å; I190-I194 PolarHBondContact O-N 3.18Å; F191-I194 PolarHBondContact O-N 3.05Å; I194-I197 PolarHBondContact O-N 3.47Å; I194-G198 PolarHBondContact O-N 3.34Å
195	Q	78.3	Confident	80.2	Confident	127 Å²	127	84.7 Å²	84.7	59%	0.593	47%	0.47	S	S	*	.	H	α-helix	trans	-63.3	-41.2	177	-74.6	-175.8	-21.1	0	0	111.9	F191 D192 G198 S199	F191-Q195 WeakPolarHBondContact O-CG 3.34Å; F191-Q195 PolarHBondContact O-N 2.88Å; D192-Q195 PolarHBondContact O-N 3.02Å; Q195-G198 PolarHBondContact O-N 3.46Å; Q195-S199 PolarHBondContact O-N 2.82Å; Q195-S199 PolarHBondContact O-OG 3.48Å
196	H	81.2	Confident	78.3	Confident	91 Å²	91	88.4 Å²	88.4	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-43.8	177.9	-174.1	73.6	0	0	0	112.5	W188 D192 Y193 S199 T200	W188-H196 HydrophobicContact CH2-CB 4.07Å; W188-H196 AromaticContact CH2-CD2 3.57Å; W188-H196 AromaticContact CH2-CE1 3.94Å; W188-H196 AromaticContact CH2-CG 3.52Å; W188-H196 AromaticContact CH2-ND1 3.76Å; W188-H196 AromaticContact CH2-NE2 3.84Å; W188-H196 HydrophobicContact CZ3-CB 3.86Å; W188-H196 AromaticContact CZ3-CD2 3.66Å; W188-H196 AromaticContact CZ3-CG 3.7Å; D192-H196 VanDerWaalsContact O-CB 3.28Å; D192-H196 WeakPolarHBondContact O-CB 3.49Å; D192-H196 PolarHBondContact O-N 2.74Å; Y193-H196 PolarHBondContact O-N 3.48Å; H196-S199 PolarHBondContact O-OG 3.31Å; H196-S199 VanDerWaalsContact O-OG 3.04Å; H196-T200 WeakPolarHBondContact O-CB 3.3Å; H196-T200 PolarHBondContact O-N 2.97Å; H196-T200 PolarHBondContact O-OG1 3.01Å
197	I	83.3	Confident	76.5	Confident	92 Å²	92	92.1 Å²	92.1	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-44.4	174.5	-68.2	168	0	0	0	109.9	Y193 I194 S199 T200 L201	Y193-I197 WeakPolarHBondContact O-CB 3.31Å; Y193-I197 VanDerWaalsContact O-CG1 3.3Å; Y193-I197 WeakPolarHBondContact O-CG1 2.95Å; Y193-I197 PolarHBondContact O-N 2.86Å; I194-I197 PolarHBondContact O-N 3.47Å; I197-S199 PolarHBondContact O-N 2.94Å; I197-T200 PolarHBondContact O-N 3.38Å; I197-L201 HydrophobicContact CG2-CD1 3.57Å; I197-L201 HydrophobicContact CG2-CG 4.07Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 VanDerWaalsContact O-CG 3.22Å; I197-L201 WeakPolarHBondContact O-CG 3.07Å; I197-L201 PolarHBondContact O-N 3.36Å
198	G	82.1	Confident	74.8	Confident	39 Å²	39	92.7 Å²	92.7	40%	0.402	53%	0.529	S	S	.	.	H	α-helix	trans	-58.6	-46.1	178.5	0	0	0	0	0	113	I194 Q195 L201 A202	I194-G198 PolarHBondContact O-N 3.34Å; Q195-G198 PolarHBondContact O-N 3.46Å; G198-L201 PolarHBondContact O-N 3.44Å; G198-A202 VanDerWaalsContact O-CB 3.3Å; G198-A202 WeakPolarHBondContact O-CB 3.31Å; G198-A202 PolarHBondContact O-N 3.35Å
199	S	80.8	Confident	73.8	Confident	70 Å²	70	92.7 Å²	92.7	49%	0.49	53%	0.534	S	S	.	.	H	α-helix	trans	-69.4	-37.6	178.3	64.4	0	0	0	0	112.7	Q195 H196 I197 A202 S203	Q195-S199 PolarHBondContact O-N 2.82Å; Q195-S199 PolarHBondContact O-OG 3.48Å; H196-S199 PolarHBondContact O-OG 3.31Å; H196-S199 VanDerWaalsContact O-OG 3.04Å; I197-S199 PolarHBondContact O-N 2.94Å; S199-A202 PolarHBondContact O-N 2.7Å; S199-S203 PolarHBondContact O-N 2.85Å; S199-S203 PolarHBondContact O-OG 3.46Å
200	T	80.6	Confident	73.3	Confident	60 Å²	60	92.6 Å²	92.6	37%	0.368	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-39.3	175.5	-53.8	0	0	0	0	111.7	H196 I197 S203 L204	H196-T200 WeakPolarHBondContact O-CB 3.3Å; H196-T200 PolarHBondContact O-N 2.97Å; H196-T200 PolarHBondContact O-OG1 3.01Å; I197-T200 PolarHBondContact O-N 3.38Å; T200-S203 PolarHBondContact O-N 3.02Å; T200-S203 PolarHBondContact O-OG 3.44Å; T200-L204 WeakPolarHBondContact O-CG 3.5Å; T200-L204 PolarHBondContact O-N 3.39Å
201	L	79.8	Confident	72.6	Confident	103 Å²	103	92.3 Å²	92.3	54%	0.539	53%	0.53	S	S	.	.	H	α-helix	trans	-69.5	-33.8	174.6	-71.9	174.3	0	0	0	112.1	I197 G198 L204	I197-L201 HydrophobicContact CG2-CD1 3.57Å; I197-L201 HydrophobicContact CG2-CG 4.07Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 VanDerWaalsContact O-CG 3.22Å; I197-L201 WeakPolarHBondContact O-CG 3.07Å; I197-L201 PolarHBondContact O-N 3.36Å; G198-L201 PolarHBondContact O-N 3.44Å; L201-L204 HydrophobicContact CD2-CD1 4.36Å; L201-L204 PolarHBondContact O-N 3.03Å
202	A	76.4	Confident	71.8	Confident	84 Å²	84	95 Å²	95	69%	0.694	54%	0.536	S	S	*	.	H	α-helix	trans	-72.3	-29	176.6	0	0	0	0	0	113.1	G198 S199 L204	G198-A202 VanDerWaalsContact O-CB 3.3Å; G198-A202 WeakPolarHBondContact O-CB 3.31Å; G198-A202 PolarHBondContact O-N 3.35Å; S199-A202 PolarHBondContact O-N 2.7Å; A202-L204 VanDerWaalsContact C-N 3.34Å
203	S	76.4	Confident	71.3	Confident	93 Å²	93	96.7 Å²	96.7	65%	0.65	55%	0.545	S	S	*	.	H	α-helix	trans	-80.8	-15.3	175.7	67.2	0	0	0	0	113.3	S199 T200 S205	S199-S203 PolarHBondContact O-N 2.85Å; S199-S203 PolarHBondContact O-OG 3.46Å; T200-S203 PolarHBondContact O-N 3.02Å; T200-S203 PolarHBondContact O-OG 3.44Å; S203-S205 PolarHBondContact O-N 3.05Å
204	L	69.1	Low	70.9	Confident	83 Å²	83	98.9 Å²	98.9	44%	0.435	55%	0.553	S	S	.	*	S	Bend	trans	-78.1	114.7	168.9	-70.6	167.3	0	0	0	109.5	T200 L201 A202	T200-L204 WeakPolarHBondContact O-CG 3.5Å; T200-L204 PolarHBondContact O-N 3.39Å; L201-L204 HydrophobicContact CD2-CD1 4.36Å; L201-L204 PolarHBondContact O-N 3.03Å; A202-L204 VanDerWaalsContact C-N 3.34Å
205	S	60.8	Low	70.1	Confident	76 Å²	76	101.5 Å²	101.5	53%	0.531	56%	0.557	S	S	.	*			trans	-51.8	134.7	172.9	-59.4	0	0	0	0	110.4	S203 C207 S208	S203-S205 PolarHBondContact O-N 3.05Å; S205-C207 PolarHBondContact O-N 2.79Å; S205-S208 PolarHBondContact O-N 3.38Å; S205-S208 PolarHBondContact O-OG 3.08Å
206	P	56.9	Low	69.7	Low	117 Å²	117	101 Å²	101	76%	0.76	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-15.3	179.6	-26.7	33.2	0	0	0	114.8
207	C	56.7	Low	69.4	Low	122 Å²	122	99 Å²	99	82%	0.824	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-16.1	-179.2	-31.3	0	0	0	0	114.3	S205	S205-C207 PolarHBondContact O-N 2.79Å
208	S	55.4	Low	68.8	Low	71 Å²	71	98.2 Å²	98.2	50%	0.497	55%	0.548	S	S	.	.	S	Bend	trans	-100.2	-15.8	-175.1	61.8	0	0	0	0	114.2	S205 P210	S205-S208 PolarHBondContact O-N 3.38Å; S205-S208 PolarHBondContact O-OG 3.08Å; S208-P210 VanDerWaalsContact O-CD 3.25Å; S208-P210 WeakPolarHBondContact O-CD 3.48Å
209	I	61.9	Low	68.2	Low	80 Å²	80	100 Å²	100	41%	0.41	55%	0.554	S	S	.	*	S	Bend	trans	-68.6	117.4	168.5	-59.1	177.3	0	0	0	106.4	Q211 L213	I209-Q211 PolarHBondContact O-N 3.18Å; I209-L213 HydrophobicContact CG2-CB 4.49Å
210	P	66.7	Low	67.9	Low	76 Å²	76	101.6 Å²	101.6	49%	0.494	56%	0.557	S	S	.	*			trans	-52.8	120	178.6	-22.8	31	0	0	0	108.2	S208 R212 L213 Y214	S208-P210 VanDerWaalsContact O-CD 3.25Å; S208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-R212 CarbonylContact O-C 3.58Å; P210-R212 PolarHBondContact O-N 3.04Å; P210-L213 HydrophobicContact CB-CG 4.46Å; P210-L213 HydrophobicContact CG-CD1 4.17Å; P210-L213 PolarHBondContact O-N 3.36Å; P210-Y214 PolarHBondContact O-N 2.99Å
211	Q	62.7	Low	67.5	Low	133 Å²	133	104 Å²	104	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-51.1	-24	-178.2	-70	-177.5	-4.7	0	0	112.3	I209 R215	I209-Q211 PolarHBondContact O-N 3.18Å; Q211-R215 WeakPolarHBondContact O-CB 3.39Å; Q211-R215 WeakPolarHBondContact O-CG 3.38Å; Q211-R215 PolarHBondContact O-N 3.35Å
212	R	59.3	Low	66.7	Low	207 Å²	207	107.9 Å²	107.9	78%	0.781	57%	0.574	S	S	*	*	H	α-helix	trans	-59.8	-45.1	171.5	-73.5	-176.4	174.6	175.4	-1.4	113.7	P210 R215 Q216	P210-R212 CarbonylContact O-C 3.58Å; P210-R212 PolarHBondContact O-N 3.04Å; R212-R215 PolarHBondContact O-N 3.02Å; R212-Q216 WeakPolarHBondContact O-CB 3.43Å; R212-Q216 VanDerWaalsContact O-CG 3.31Å; R212-Q216 WeakPolarHBondContact O-CG 3.38Å; R212-Q216 PolarHBondContact O-N 2.88Å
213	L	70.9	Confident	66.2	Low	97 Å²	97	107.9 Å²	107.9	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-68.6	-41.1	179	-69.4	179.1	0	0	0	111.3	I209 P210 Q216 A217	I209-L213 HydrophobicContact CG2-CB 4.49Å; P210-L213 HydrophobicContact CB-CG 4.46Å; P210-L213 HydrophobicContact CG-CD1 4.17Å; P210-L213 PolarHBondContact O-N 3.36Å; L213-Q216 PolarHBondContact O-N 3.5Å; L213-A217 WeakPolarHBondContact O-CB 3.34Å; L213-A217 PolarHBondContact O-N 3.33Å
214	Y	67.8	Low	65.6	Low	152 Å²	152	110 Å²	110	60%	0.596	57%	0.572	S	S	*	*	H	α-helix	trans	-60.8	-46.9	173.7	-179	-97.6	0	0	0	111.7	P210 Q216 A217 Q218	P210-Y214 PolarHBondContact O-N 2.99Å; Y214-Q216 VanDerWaalsContact C-N 3.35Å; Y214-Q216 PolarHBondContact O-N 2.88Å; Y214-A217 PolarHBondContact O-N 2.98Å; Y214-Q218 VanDerWaalsContact O-CB 3.26Å; Y214-Q218 WeakPolarHBondContact O-CB 3.35Å; Y214-Q218 PolarHBondContact O-N 3.11Å
215	R	65.3	Low	64.9	Low	159 Å²	159	111 Å²	111	60%	0.6	58%	0.577	S	S	*	*	H	α-helix	trans	-64.9	-36.2	177.1	-71.3	177.9	-157.5	-173.5	8.3	112.4	Q211 R212 S219	Q211-R215 WeakPolarHBondContact O-CB 3.39Å; Q211-R215 WeakPolarHBondContact O-CG 3.38Å; Q211-R215 PolarHBondContact O-N 3.35Å; R212-R215 PolarHBondContact O-N 3.02Å; R215-S219 VanDerWaalsContact O-CB 3.27Å; R215-S219 WeakPolarHBondContact O-CB 3.25Å; R215-S219 PolarHBondContact O-N 2.97Å
216	Q	70	Confident	64.6	Low	116 Å²	116	112.8 Å²	112.8	54%	0.542	59%	0.587	S	S	.	*	H	α-helix	trans	-69.6	-43.6	175.9	-80.3	177	-27.7	0	0	112.2	R212 L213 Y214 Q218 S219 L220	R212-Q216 WeakPolarHBondContact O-CB 3.43Å; R212-Q216 VanDerWaalsContact O-CG 3.31Å; R212-Q216 WeakPolarHBondContact O-CG 3.38Å; R212-Q216 PolarHBondContact O-N 2.88Å; L213-Q216 PolarHBondContact O-N 3.5Å; Y214-Q216 VanDerWaalsContact C-N 3.35Å; Y214-Q216 PolarHBondContact O-N 2.88Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 3.39Å; Q216-S219 WeakPolarHBondContact O-CB 3.43Å; Q216-S219 PolarHBondContact O-N 2.91Å; Q216-L220 WeakPolarHBondContact O-CB 3.41Å; Q216-L220 WeakPolarHBondContact O-CG 3.49Å; Q216-L220 PolarHBondContact O-N 3.29Å
217	A	75.4	Confident	64.3	Low	50 Å²	50	118.9 Å²	118.9	41%	0.413	60%	0.596	S	S	.	*	H	α-helix	trans	-62.4	-42.4	174	0	0	0	0	0	111.3	L213 Y214 L220 L221	L213-A217 WeakPolarHBondContact O-CB 3.34Å; L213-A217 PolarHBondContact O-N 3.33Å; Y214-A217 PolarHBondContact O-N 2.98Å; A217-L220 PolarHBondContact O-N 2.7Å; A217-L221 WeakPolarHBondContact O-CB 3.43Å; A217-L221 PolarHBondContact O-N 3.41Å
218	Q	71	Confident	63.7	Low	74 Å²	74	117.6 Å²	117.6	35%	0.346	59%	0.588	S	S	.	*	H	α-helix	trans	-63.4	-40.2	175.3	-170	-178.9	10.8	0	0	112.3	Y214 Q216 R222	Y214-Q218 VanDerWaalsContact O-CB 3.26Å; Y214-Q218 WeakPolarHBondContact O-CB 3.35Å; Y214-Q218 PolarHBondContact O-N 3.11Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 3.39Å; Q218-R222 WeakPolarHBondContact O-CB 3.27Å; Q218-R222 WeakPolarHBondContact O-CG 3.26Å; Q218-R222 PolarHBondContact O-N 3.33Å
219	S	69	Low	63.1	Low	76 Å²	76	121 Å²	121	53%	0.531	60%	0.601	S	S	.	*	H	α-helix	trans	-61.8	-46.8	173.8	170.5	0	0	0	0	111.6	R215 Q216 R222 S223	R215-S219 VanDerWaalsContact O-CB 3.27Å; R215-S219 WeakPolarHBondContact O-CB 3.25Å; R215-S219 PolarHBondContact O-N 2.97Å; Q216-S219 WeakPolarHBondContact O-CB 3.43Å; Q216-S219 PolarHBondContact O-N 2.91Å; S219-R222 PolarHBondContact O-N 2.88Å; S219-S223 PolarHBondContact O-N 3.46Å
220	L	74.1	Confident	62.2	Low	105 Å²	105	125.8 Å²	125.8	55%	0.55	63%	0.625	S	S	.	*	H	α-helix	trans	-65.5	-44.8	179.3	-76.1	164.9	0	0	0	111.7	Q216 A217 R222 S223 L224	Q216-L220 WeakPolarHBondContact O-CB 3.41Å; Q216-L220 WeakPolarHBondContact O-CG 3.49Å; Q216-L220 PolarHBondContact O-N 3.29Å; A217-L220 PolarHBondContact O-N 2.7Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 2.9Å; L220-S223 WeakPolarHBondContact CA-OG 3.34Å; L220-S223 PolarHBondContact O-N 2.85Å; L220-S223 VanDerWaalsContact O-N 3.11Å; L220-S223 PolarHBondContact O-OG 3.43Å; L220-L224 WeakPolarHBondContact O-CG 3.2Å; L220-L224 PolarHBondContact O-N 2.95Å
221	L	72	Confident	60.8	Low	111 Å²	111	126 Å²	126	58%	0.581	63%	0.633	S	S	*	*	H	α-helix	trans	-58.3	-41.8	174.2	-100.6	150.2	0	0	0	112.3	A217 S223 L224 L225	A217-L221 WeakPolarHBondContact O-CB 3.43Å; A217-L221 PolarHBondContact O-N 3.41Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-L224 PolarHBondContact O-N 3.49Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.79Å
222	R	63.8	Low	60.1	Low	183 Å²	183	125 Å²	125	69%	0.691	64%	0.641	S	S	*	*	H	α-helix	trans	-68	-32	175.3	-76.9	-179.2	174.5	-163.3	-1.3	113.2	Q218 S219 L220 L224	Q218-R222 WeakPolarHBondContact O-CB 3.27Å; Q218-R222 WeakPolarHBondContact O-CG 3.26Å; Q218-R222 PolarHBondContact O-N 3.33Å; S219-R222 PolarHBondContact O-N 2.88Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 2.9Å; R222-L224 VanDerWaalsContact C-N 3.32Å
223	S	66.2	Low	59.1	Low	85 Å²	85	124.3 Å²	124.3	59%	0.594	64%	0.644	S	S	*	*	H	α-helix	trans	-74.6	-23.1	176.2	71.6	0	0	0	0	113.6	S219 L220 L221	S219-S223 PolarHBondContact O-N 3.46Å; L220-S223 WeakPolarHBondContact CA-OG 3.34Å; L220-S223 PolarHBondContact O-N 2.85Å; L220-S223 VanDerWaalsContact O-N 3.11Å; L220-S223 PolarHBondContact O-OG 3.43Å; L221-S223 VanDerWaalsContact C-N 3.35Å
224	L	63.2	Low	57.4	Low	136 Å²	136	126 Å²	126	71%	0.712	66%	0.658	S	S	*	*	H	α-helix	trans	-94.2	-13.8	-179.3	-72	165.6	0	0	0	113.3	L220 L221 R222 P226	L220-L224 WeakPolarHBondContact O-CG 3.2Å; L220-L224 PolarHBondContact O-N 2.95Å; L221-L224 PolarHBondContact O-N 3.49Å; R222-L224 VanDerWaalsContact C-N 3.32Å; L224-P226 WeakPolarHBondContact O-CD 3.31Å
225	L	54.6	Low	56.1	Low	104 Å²	104	122.2 Å²	122.2	55%	0.545	67%	0.665	S	S	.	*	S	Bend	trans	-91.8	111.2	174.1	-78.8	162.9	0	0	0	109.8	L221 W227	L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.79Å; L225-W227 PolarHBondContact O-N 2.83Å
226	P	53.1	Low	54.8	Low	114 Å²	114	122.4 Å²	122.4	74%	0.74	68%	0.676	S	S	*	*			trans	-79.2	89.1	176.6	31.7	-30.1	0	0	0	108.7	L224	L224-P226 WeakPolarHBondContact O-CD 3.31Å
227	W	52.3	Low	53.5	Low	246 Å²	246	124.6 Å²	124.6	93%	0.932	69%	0.687	S	S	*	*			trans	-96.8	83.9	161.9	-86	26.6	0	0	0	108.7	L225	L225-W227 PolarHBondContact O-N 2.83Å
228	S	42.8	Very low	51.6	Low	94 Å²	94	132.8 Å²	132.8	66%	0.657	71%	0.708	S	S	*	*			trans	-100.3	127.7	159.3	51.2	0	0	0	0	109.4
229	N	43.7	Very low	50.1	Low	144 Å²	144	133.4 Å²	133.4	77%	0.77	72%	0.721	S	S	*	*			trans	75	97.2	159.1	-55.6	-35.7	0	0	0	118.9
230	I	42.4	Very low	48.8	Very low	179 Å²	179	140.3 Å²	140.3	92%	0.918	74%	0.735	S	S	*	*				-116.6	100.9	127.6	-63.2	177.4	0	0	0	106.7
231	A	38.1	Very low	47.1	Very low	81 Å²	81	140.9 Å²	140.9	67%	0.669	74%	0.744	S	S	*	*			trans	-70.5	152.1	175.7	0	0	0	0	0	111.4
232	S	47.8	Very low	45.7	Very low	112 Å²	112	148.3 Å²	148.3	78%	0.783	78%	0.778	S	S	*	*			trans	-47.3	147.4	172.2	48	0	0	0	0	115.1
233	K	37.1	Very low	44.8	Very low	193 Å²	193	146.6 Å²	146.6	84%	0.839	78%	0.783	S	S	*	*			trans	-160.4	122.5	143	-110.2	174.2	-174.4	-177.3	0	112.5
234	T	36.5	Very low	43.7	Very low	133 Å²	133	149.8 Å²	149.8	82%	0.816	79%	0.793	S	S	*	*			trans	57.8	118.1	141.6	55.4	0	0	0	0	117.9
235	G	39.8	Very low	42.6	Very low	72 Å²	72	150.6 Å²	150.6	74%	0.742	80%	0.797	S	S	*	*			cis	102.2	97.8	41.2	0	0	0	0	0	109.3
236	I	38.4	Very low	41.9	Very low	162 Å²	162	153.3 Å²	153.3	83%	0.831	81%	0.812	S	S	*	*			trans	-140.7	118.3	155.8	-59.7	-176.4	0	0	0	108.3	Y238	I236-Y238 HydrophobicContact CG2-CD2 4.16Å; I236-Y238 HydrophobicContact CG2-CE2 4.46Å
237	Q	42	Very low	41.2	Very low	163 Å²	163	155.8 Å²	155.8	76%	0.762	82%	0.817	S	S	*	*			trans	-96.8	135.2	174.3	-174.5	-178.2	12.1	0	0	107.5
238	Y	36	Very low	40.4	Very low	221 Å²	221	149.7 Å²	149.7	87%	0.867	81%	0.809	S	S	*	*			trans	-141.2	110.9	150.2	-93.8	-80.2	0	0	0	109.6	I236	I236-Y238 HydrophobicContact CG2-CD2 4.16Å; I236-Y238 HydrophobicContact CG2-CE2 4.46Å
239	S	40.1	Very low	40.2	Very low	88 Å²	88	153.7 Å²	153.7	62%	0.615	82%	0.82	S	S	*	*			trans	-64.3	165.4	155.3	-49.1	0	0	0	0	109.1
240	R	40.8	Very low	40	Very low	220 Å²	220	154.5 Å²	154.5	83%	0.83	82%	0.824	S	S	*	*			cis	-171.6	144.7	18.9	-143	-179.2	-177.3	170.7	-0.9	107.1
241	T	39.5	Very low	39.8	Very low	118 Å²	118	152.4 Å²	152.4	72%	0.724	82%	0.816	S	S	*	*			trans	36.9	126.3	141.3	54.1	0	0	0	0	121.8
242	M	41.2	Very low	39.9	Very low	266 Å²	266	158.9 Å²	158.9	100%	1.31	83%	0.829	S	S	*	*				-138	0	87	-93.6	-165.6	-163.5	0	0	109.4

Retrieved 242 of 242 residues in 728.5 ms (Link to these results)

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