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Acyl-protein thioesterase 1

Acts as an acyl-protein thioesterase. Hydrolyzes fatty acids from S-acylated cysteine residues in proteins such as trimeric G alpha proteins or HRAS. Acts as a palmitoyl thioesterase that catalyzes depalmitoylation of proteins, such as ADRB2, KCNMA1 and SQSTM1. Acts as a negative regulator of autophagy by mediating palmitoylation of SQSTM1, decreasing affinity between SQSTM1 and ATG8 proteins and recruitment of ubiquitinated cargo proteins to autophagosomes. Acts as a lysophospholipase and hydrolyzes lysophosphatidylcholine (lyso-PC). Also hydrolyzes lysophosphatidylethanolamine (lyso-PE), lysophosphatidylinositol (lyso-PI) and lysophosphatidylserine (lyso-PS). Has much higher thioesterase activity than lysophospholipase activity. Contributes to the production of lysophosphatidic acid (LPA) during blood coagulation by recognizing and cleaving plasma phospholipids to generate lysophospholipids which in turn act as substrates for ENPP2 to produce LPA.

AlphaFold DB (A0A2K6DNN9), UniProt , Accession A0A096MTJ3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	58.2	Low	245 Å²	245	121.8 Å²	121.8	100%	1.207	71%	0.714	S	S	*	*				0	105.3	0	-68.9	-132.9	-87.7	0	0	107.5	G3	M1-G3 PolarHBondContact O-N 3.25Å
2	C	36.8	Very low	61.5	Low	134 Å²	134	112.5 Å²	112.5	91%	0.905	66%	0.661	S	S	*	*			trans	-76.8	103.8	-179.5	-64.5	0	0	0	0	108.4	N4	C2-N4 PolarHBondContact O-N 3.37Å
3	G	33.6	Very low	64.3	Low	69 Å²	69	110.3 Å²	110.3	71%	0.711	64%	0.644	S	S	*	*			trans	-66.8	121.6	173.5	0	0	0	0	0	109.9	M1 N5	M1-G3 PolarHBondContact O-N 3.25Å; G3-N5 PolarHBondContact O-N 3.47Å
4	N	38.1	Very low	66.7	Low	146 Å²	146	103.2 Å²	103.2	78%	0.781	60%	0.603	S	S	*	*			trans	-57.4	102.5	172.5	-92.1	-15.3	0	0	0	110.4	C2 M6	C2-N4 PolarHBondContact O-N 3.37Å; N4-M6 PolarHBondContact O-N 2.91Å
5	N	43.1	Very low	68.8	Low	133 Å²	133	101.9 Å²	101.9	71%	0.711	60%	0.598	S	S	*	*			trans	-82.7	14.9	166.7	-104.2	6.5	0	0	0	112.7	G3 S7	G3-N5 PolarHBondContact O-N 3.47Å; N5-S7 PolarHBondContact O-N 3.38Å
6	M	47.9	Very low	70.5	Confident	175 Å²	175	96.9 Å²	96.9	86%	0.862	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	36.8	-179.5	-67.4	-130.3	-62.6	0	0	113.4	N4	N4-M6 PolarHBondContact O-N 2.91Å
7	S	66.1	Low	72	Confident	99 Å²	99	95.8 Å²	95.8	69%	0.692	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-17.2	177.3	62.7	0	0	0	0	113.6	N5	N5-S7 PolarHBondContact O-N 3.38Å
8	T	71.2	Confident	73.3	Confident	55 Å²	55	100.7 Å²	100.7	34%	0.337	58%	0.583	S	S	.	*	S	Bend	trans	-98.1	139.6	178.3	47.4	0	0	0	0	111.8	P57	T8-P57 VanDerWaalsContact CG2-CA 3.4Å; T8-P57 HydrophobicContact CG2-CB 3.87Å
9	P	84.4	Confident	74.5	Confident	90 Å²	90	105.6 Å²	105.6	58%	0.584	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-61.6	156.1	172.1	23.2	-28.2	0	0	0	110.7	H55	P9-H55 HydrophobicContact CG-CB 4.02Å
10	L	91.6	Very high	75.6	Confident	156 Å²	156	101.8 Å²	101.8	82%	0.817	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-55.3	146	174.8	-68.1	174.9	0	0	0	110.5	H55	L10-H55 PolarHBondContact O-CD2 2.82Å; L10-H55 PolarHBondContact O-NE2 3.13Å
11	P	95.5	Very high	76.7	Confident	38 Å²	38	98.9 Å²	98.9	25%	0.247	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-53.1	145.1	179.3	-27	35.1	0	0	0	113.3	I13 I52 P54	P11-I13 HydrophobicContact CB-CG1 4.21Å; P11-I13 PolarHBondContact O-N 3.01Å; P11-I52 HydrophobicContact CB-CG2 3.77Å; P11-I52 HydrophobicContact CG-CG2 4.16Å; P11-P54 HydrophobicContact CB-CB 4.38Å; P11-P54 HydrophobicContact CG-CB 4.19Å
12	A	97.5	Very high	79.9	Confident	10 Å²	10	87.2 Å²	87.2	8%	0.083	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123	162.8	0	0	0	0	0	108.6	A38 C53 H55	A12-A38 HydrophobicContact CB-CB 3.85Å; A12-C53 HydrophobicContact CB-CB 4.3Å; A12-C53 PolarHBondContact N-O 3.18Å; A12-C53 PolarHBondContact O-N 3.48Å; A12-H55 PolarHBondContact N-NE2 3.13Å
13	I	98.3	Very high	82.9	Confident	84 Å²	84	80.8 Å²	80.8	43%	0.431	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129	-173.4	-66.9	169.1	0	0	0	110	P11 P15 K50 Y51	P11-I13 HydrophobicContact CB-CG1 4.21Å; P11-I13 PolarHBondContact O-N 3.01Å; I13-P15 WeakPolarHBondContact O-CD 3.26Å; I13-K50 HydrophobicContact CG2-CG 4.13Å; I13-Y51 WeakPolarHBondContact CA-O 3.33Å
14	V	98.3	Very high	86	Confident	11 Å²	11	77.5 Å²	77.5	7%	0.067	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	107.6	161.5	-172.5	0	0	0	0	107.2	A38 A42 R45 Y51	V14-A38 HydrophobicContact CG2-CB 4.06Å; V14-A38 WeakPolarHBondContact CG2-O 3.41Å; V14-A42 HydrophobicContact CG1-CB 4.23Å; V14-A42 HydrophobicContact CG2-CB 4.21Å; V14-R45 HydrophobicContact CG1-CB 4.38Å; V14-Y51 HydrophobicContact CB-CD2 4.12Å; V14-Y51 HydrophobicContact CB-CG 4.44Å; V14-Y51 HydrophobicContact CG1-CD2 4.37Å; V14-Y51 PolarHBondContact N-O 3.4Å; V14-Y51 PolarHBondContact O-N 3.34Å
15	P	97.3	Very high	88.9	Confident	83 Å²	83	70.6 Å²	70.6	54%	0.539	39%	0.392	S	S	.	.			trans	-68.8	146.8	179.9	29.2	-34.5	0	0	0	110.5	I13	I13-P15 WeakPolarHBondContact O-CD 3.26Å
16	A	97.1	Very high	91.6	Very high	22 Å²	22	64.3 Å²	64.3	18%	0.182	36%	0.358	C	S	.	.			trans	-63.1	145.2	165.7	0	0	0	0	0	109.6	R18 A20	A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 WeakPolarHBondContact CB-O 3.43Å; A16-R18 PolarHBondContact O-N 3.2Å; A16-A20 HydrophobicContact CB-CB 3.86Å
17	A	95.6	Very high	94	Very high	78 Å²	78	56 Å²	56	65%	0.645	32%	0.317	S	S	*	.	S	Bend	trans	-73	-22	176.3	0	0	0	0	0	112.5	S47	A17-S47 PolarHBondContact N-O 2.88Å
18	R	94.8	Very high	95.5	Very high	185 Å²	185	51.3 Å²	51.3	70%	0.698	28%	0.284	S	S	*	.	S	Bend	trans	-119.1	179	173.4	-55.9	-179.1	-175.3	174.3	2.6	109.1	A16 A20 S47	A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 WeakPolarHBondContact CB-O 3.43Å; A16-R18 PolarHBondContact O-N 3.2Å; R18-A20 PolarHBondContact O-N 3.32Å; R18-A20 VanDerWaalsContact O-N 3.08Å; R18-S47 PolarHBondContact N-O 2.68Å
19	K	95.7	Very high	96.8	Very high	193 Å²	193	48.8 Å²	48.8	84%	0.839	27%	0.27	S	S	*	.	S	Bend	trans	-53.4	120.8	170	-174.5	178.2	179.7	-177.2	0	109.1	T21	K19-T21 PolarHBondContact O-N 2.94Å
20	A	98.2	Very high	97.4	Very high	29 Å²	29	46.7 Å²	46.7	24%	0.24	25%	0.253	C	S	.	.			trans	-64.7	129.7	-178.4	0	0	0	0	0	110.3	A16 R18 H48 K50 I108	A16-A20 HydrophobicContact CB-CB 3.86Å; R18-A20 PolarHBondContact O-N 3.32Å; R18-A20 VanDerWaalsContact O-N 3.08Å; A20-H48 WeakPolarHBondContact CA-O 3.39Å; A20-K50 HydrophobicContact CB-CB 3.99Å; A20-I108 HydrophobicContact CB-CD1 4.01Å
21	T	98.6	Very high	97.5	Very high	41 Å²	41	41.2 Å²	41.2	25%	0.252	23%	0.234	S	C	.	.	S	Bend	trans	-114.3	0.4	173.6	65.4	0	0	0	0	112	K19 H48 R112	K19-T21 PolarHBondContact O-N 2.94Å; T21-H48 PolarHBondContact N-O 3.09Å; T21-H48 PolarHBondContact OG1-CD2 2.98Å; T21-R112 WeakPolarHBondContact O-CB 3.23Å; T21-R112 PolarHBondContact O-NE 3.1Å; T21-R112 PolarHBondContact OG1-NH2 3.01Å
22	A	98.8	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	157.2	-177.9	0	0	0	0	0	109.9	H48 I49 K50 R112 L226	A22-H48 PolarHBondContact N-O 3.2Å; A22-I49 HydrophobicContact CB-CG1 3.95Å; A22-I49 WeakPolarHBondContact O-CA 3.46Å; A22-K50 PolarHBondContact O-N 3.2Å; A22-R112 CarbonylContact C-O 2.95Å; A22-R112 VanDerWaalsContact CA-O 3.25Å; A22-R112 WeakPolarHBondContact CA-O 3.34Å; A22-R112 HydrophobicContact CB-CB 4.36Å; A22-R112 WeakPolarHBondContact CB-O 3.41Å; A22-L226 HydrophobicContact CB-CB 3.99Å; A22-L226 HydrophobicContact CB-CD1 3.92Å; A22-L226 HydrophobicContact CB-CD2 4.13Å; A22-L226 HydrophobicContact CB-CG 4.24Å
23	A	98.9	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.1	175.5	0	0	0	0	0	112.4	K50 I52 I108 R112 I113 I114	A23-K50 CarbonylContact C-O 3.54Å; A23-K50 WeakPolarHBondContact CA-O 3.49Å; A23-I52 HydrophobicContact CB-CD1 4.44Å; A23-I108 HydrophobicContact CB-CD1 4.07Å; A23-I108 HydrophobicContact CB-CG2 4.31Å; A23-R112 PolarHBondContact N-O 3.27Å; A23-I113 HydrophobicContact CB-CG1 4.3Å; A23-I113 VanDerWaalsContact O-CA 3.31Å; A23-I113 WeakPolarHBondContact O-CA 3.48Å; A23-I114 PolarHBondContact O-N 3.25Å
24	V	98.9	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.3	165.4	176	0	0	0	0	106.9	F26 F41 I49 K50 Y51 I52 I114 I222 L226	V24-F26 HydrophobicContact CG1-CB 4.47Å; V24-F41 HydrophobicContact CG1-CE1 4.44Å; V24-F41 HydrophobicContact CG1-CZ 4.45Å; V24-I49 HydrophobicContact CG2-CG2 3.86Å; V24-K50 PolarHBondContact N-O 3.47Å; V24-Y51 HydrophobicContact CB-CD1 3.63Å; V24-Y51 HydrophobicContact CB-CE1 4.08Å; V24-Y51 HydrophobicContact CB-CG 4.36Å; V24-Y51 HydrophobicContact CG1-CD1 4.07Å; V24-Y51 HydrophobicContact CG2-CD1 3.9Å; V24-Y51 HydrophobicContact CG2-CE1 3.8Å; V24-Y51 CarbonylContact O-C 3.57Å; V24-Y51 WeakPolarHBondContact O-CA 3.09Å; V24-I52 PolarHBondContact O-N 2.78Å; V24-I114 WeakPolarHBondContact CA-O 3.47Å; V24-I114 HydrophobicContact CG2-CB 4.31Å; V24-I222 HydrophobicContact CG2-CD1 4.06Å; V24-I222 HydrophobicContact CG2-CG1 4.33Å; V24-I222 HydrophobicContact CG2-CG2 4.08Å; V24-L226 HydrophobicContact CG2-CD1 4.37Å
25	I	98.9	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118	170.4	-62.5	168.6	0	0	0	106.7	L27 I52 P54 L99 I100 I113 I114 L115 G116	I25-L27 HydrophobicContact CG2-CD2 4.11Å; I25-I52 CarbonylContact C-O 3.6Å; I25-I52 WeakPolarHBondContact CA-O 3.26Å; I25-I52 HydrophobicContact CG1-CB 4.3Å; I25-I52 HydrophobicContact CG1-CD1 4.2Å; I25-P54 HydrophobicContact CG2-CG 4.47Å; I25-L99 HydrophobicContact CD1-CD2 4.37Å; I25-L99 HydrophobicContact CD1-CG 4.12Å; I25-L99 HydrophobicContact CG2-CD2 3.8Å; I25-I100 HydrophobicContact CD1-CG1 3.77Å; I25-I113 HydrophobicContact CD1-CG2 3.96Å; I25-I113 HydrophobicContact CG1-CG2 4.28Å; I25-I114 PolarHBondContact N-O 3.01Å; I25-L115 HydrophobicContact CB-CD1 3.86Å; I25-L115 HydrophobicContact CG2-CD1 3.75Å; I25-L115 CarbonylContact O-C 3.54Å; I25-L115 WeakPolarHBondContact O-CA 3.48Å; I25-G116 PolarHBondContact O-N 3.17Å
26	F	98.9	Very high	96.6	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.5	-174.9	-165.7	-84.7	0	0	0	112.5	V24 W37 F41 I52 C53 P54 G116 G117 F118 L142	V24-F26 HydrophobicContact CG1-CB 4.47Å; F26-W37 HydrophobicContact CD1-CB 3.93Å; F26-W37 AromaticContact CD1-CD2 3.89Å; F26-W37 HydrophobicContact CD1-CD2 3.89Å; F26-W37 HydrophobicContact CD1-CE3 4.07Å; F26-W37 AromaticContact CD1-CG 3.8Å; F26-W37 HydrophobicContact CD1-CG 3.8Å; F26-W37 HydrophobicContact CE1-CB 4.21Å; F26-W37 AromaticContact CE1-CD2 3.22Å; F26-W37 HydrophobicContact CE1-CD2 3.22Å; F26-W37 AromaticContact CE1-CE2 3.71Å; F26-W37 AromaticContact CE1-CE3 3.34Å; F26-W37 HydrophobicContact CE1-CE3 3.34Å; F26-W37 AromaticContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CH2 4.28Å; F26-W37 HydrophobicContact CE1-CZ2 4.24Å; F26-W37 AromaticContact CE1-CZ3 3.88Å; F26-W37 HydrophobicContact CE1-CZ3 3.88Å; F26-W37 AromaticContact CZ-CD2 3.94Å; F26-W37 HydrophobicContact CZ-CD2 3.94Å; F26-W37 AromaticContact CZ-CE3 3.59Å; F26-W37 HydrophobicContact CZ-CE3 3.59Å; F26-W37 HydrophobicContact CZ-CH2 4.11Å; F26-W37 HydrophobicContact CZ-CZ2 4.46Å; F26-W37 AromaticContact CZ-CZ3 3.68Å; F26-W37 HydrophobicContact CZ-CZ3 3.68Å; F26-F41 HydrophobicContact CB-CD2 4.36Å; F26-F41 HydrophobicContact CB-CE2 3.62Å; F26-F41 HydrophobicContact CB-CZ 4.2Å; F26-F41 AromaticContact CD1-CE2 3.85Å; F26-F41 HydrophobicContact CD1-CE2 3.85Å; F26-F41 AromaticContact CD2-CE2 3.39Å; F26-F41 HydrophobicContact CD2-CE2 3.39Å; F26-F41 AromaticContact CD2-CZ 3.35Å; F26-F41 HydrophobicContact CD2-CZ 3.35Å; F26-F41 HydrophobicContact CE1-CE2 4.36Å; F26-F41 AromaticContact CE2-CE2 3.93Å; F26-F41 HydrophobicContact CE2-CE2 3.93Å; F26-F41 AromaticContact CE2-CZ 3.77Å; F26-F41 HydrophobicContact CE2-CZ 3.77Å; F26-F41 HydrophobicContact CG-CD2 4.39Å; F26-F41 AromaticContact CG-CE2 3.32Å; F26-F41 HydrophobicContact CG-CE2 3.32Å; F26-F41 AromaticContact CG-CZ 3.81Å; F26-F41 HydrophobicContact CG-CZ 3.81Å; F26-F41 HydrophobicContact CZ-CE2 4.38Å; F26-I52 PolarHBondContact N-O 2.85Å; F26-C53 WeakPolarHBondContact O-CA 3.35Å; F26-P54 WeakPolarHBondContact O-CD 3.46Å; F26-G116 CarbonylContact C-O 3.43Å; F26-G116 WeakPolarHBondContact CA-O 3.41Å; F26-G117 VanDerWaalsContact CZ-CA 3.46Å; F26-F118 HydrophobicContact CE1-CB 4.11Å; F26-F118 HydrophobicContact CZ-CB 4.1Å; F26-L142 HydrophobicContact CE2-CD1 3.95Å; F26-L142 HydrophobicContact CE2-CG 4.31Å; F26-L142 HydrophobicContact CZ-CD1 3.75Å; F26-L142 HydrophobicContact CZ-CG 4.27Å
27	L	98.9	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.6	-174.2	-49.4	-176	0	0	0	110.4	I25 P54 W72 I96 G116 G117 F118 L124 S125	I25-L27 HydrophobicContact CG2-CD2 4.11Å; L27-P54 HydrophobicContact CD2-CG 3.48Å; L27-P54 VanDerWaalsContact CD2-CG 3.48Å; L27-W72 HydrophobicContact CB-CZ2 3.97Å; L27-W72 HydrophobicContact CD2-CH2 3.99Å; L27-W72 HydrophobicContact CD2-CZ2 3.97Å; L27-W72 HydrophobicContact CG-CZ2 4.49Å; L27-I96 HydrophobicContact CD1-CD1 3.96Å; L27-I96 HydrophobicContact CD1-CG1 3.87Å; L27-I96 HydrophobicContact CD2-CD1 3.64Å; L27-I96 HydrophobicContact CD2-CG1 4.43Å; L27-I96 HydrophobicContact CG-CD1 4.48Å; L27-G116 PolarHBondContact N-O 3.32Å; L27-G117 CarbonylContact O-C 3.56Å; L27-G117 WeakPolarHBondContact O-CA 3.23Å; L27-F118 PolarHBondContact O-N 3.47Å; L27-L124 HydrophobicContact CD1-CB 3.96Å; L27-L124 HydrophobicContact CD1-CD2 3.78Å; L27-L124 HydrophobicContact CD1-CG 3.8Å; L27-S125 VanDerWaalsContact CD1-OG 3.3Å; L27-S125 WeakPolarHBondContact CD1-OG 3.34Å
28	H	98.6	Very high	96.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.212	C	C	.	.			trans	-72	166.5	179.6	68.5	80	0	0	0	112.5	D32 P54 A56 W72 G121	H28-D32 HydrophobicContact CB-CB 4.15Å; H28-D32 PolarHBondContact CE1-O 3.49Å; H28-D32 PolarHBondContact ND1-O 2.94Å; H28-P54 PolarHBondContact CD2-O 2.95Å; H28-P54 VanDerWaalsContact CD2-O 3.32Å; H28-A56 PolarHBondContact NE2-N 3.48Å; H28-W72 AromaticContact CD2-CZ2 3.88Å; H28-W72 AromaticContact NE2-CZ2 3.91Å; H28-W72 PolarHBondContact O-NE1 2.96Å; H28-G121 WeakPolarHBondContact O-CA 3.31Å; H28-G121 PolarHBondContact O-N 2.64Å
29	G	97.9	Very high	96.9	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.031	21%	0.212	C	C	.	.			trans	-80.1	176.2	175.5	0	0	0	0	0	113.8	G31 D32 F118	G29-G31 PolarHBondContact O-N 3.04Å; G29-D32 PolarHBondContact O-N 3.07Å; G29-F118 WeakPolarHBondContact CA-O 3.48Å; G29-F118 PolarHBondContact N-O 3.48Å
30	L	97.1	Very high	97	Very high	45 Å²	45	30.3 Å²	30.3	24%	0.236	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	132.9	177.9	175.2	67.3	0	0	0	111.7	D32 V61 M69 I75	L30-D32 PolarHBondContact O-N 3.09Å; L30-V61 HydrophobicContact CD1-CG1 4.14Å; L30-V61 HydrophobicContact CD1-CG2 3.85Å; L30-V61 HydrophobicContact CD2-CG1 4.32Å; L30-M69 HydrophobicContact CD1-CG 4.02Å; L30-M69 HydrophobicContact CD1-SD 3.85Å; L30-M69 HydrophobicContact CD2-SD 4.38Å; L30-M69 HydrophobicContact CG-SD 4.04Å; L30-I75 HydrophobicContact CB-CD1 4.26Å; L30-I75 HydrophobicContact CD2-CD1 4.09Å
31	G	92.8	Very high	97	Very high	41 Å²	41	29 Å²	29	42%	0.423	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-9.9	174.4	0	0	0	0	0	115.6	G29 P70	G29-G31 PolarHBondContact O-N 3.04Å; G31-P70 PolarHBondContact N-O 2.83Å
32	D	93.6	Very high	97	Very high	59 Å²	59	29 Å²	29	32%	0.316	18%	0.179	S	C	.	.			trans	-86	-177.2	179	-163.1	5	0	0	0	111.7	H28 G29 L30 W37 P70	H28-D32 HydrophobicContact CB-CB 4.15Å; H28-D32 PolarHBondContact CE1-O 3.49Å; H28-D32 PolarHBondContact ND1-O 2.94Å; G29-D32 PolarHBondContact O-N 3.07Å; L30-D32 PolarHBondContact O-N 3.09Å; D32-W37 PolarHBondContact OD2-NE1 3.41Å; D32-W37 VanDerWaalsContact OD2-NE1 3.14Å; D32-P70 WeakPolarHBondContact O-CB 3.39Å
33	T	92.9	Very high	96.9	Very high	55 Å²	55	32.3 Å²	32.3	34%	0.337	21%	0.213	S	C	.	.			trans	-130	167	171	75.2	0	0	0	0	110.7	H35	T33-H35 PolarHBondContact O-N 3.36Å; T33-H35 PolarHBondContact OG1-N 3.38Å
34	G	93.8	Very high	96.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-14.5	173.3	0	0	0	0	0	115.4	A38 C53 H55	G34-A38 WeakPolarHBondContact O-CB 3.45Å; G34-A38 PolarHBondContact O-N 3.12Å; G34-C53 WeakPolarHBondContact O-CB 3.38Å; G34-H55 PolarHBondContact N-CE1 3.48Å; G34-H55 PolarHBondContact N-ND1 3.38Å
35	H	95.8	Very high	96.7	Very high	108 Å²	108	39.4 Å²	39.4	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-67.8	-48.3	-173	-71.8	94.3	0	0	0	113.1	T33 W37 A38 E39 H55	T33-H35 PolarHBondContact O-N 3.36Å; T33-H35 PolarHBondContact OG1-N 3.38Å; H35-W37 VanDerWaalsContact C-N 3.28Å; H35-W37 PolarHBondContact O-N 2.94Å; H35-A38 WeakPolarHBondContact O-CB 3.34Å; H35-A38 PolarHBondContact O-N 3.28Å; H35-A38 VanDerWaalsContact O-N 3.12Å; H35-E39 PolarHBondContact O-N 2.98Å; H35-H55 AromaticContact CE1-CE1 3.58Å; H35-H55 AromaticContact CE1-NE2 3.82Å; H35-H55 AromaticContact ND1-CE1 3.48Å; H35-H55 PolarHBondContact ND1-CE1 3.39Å
36	G	93.2	Very high	96.7	Very high	38 Å²	38	40.4 Å²	40.4	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-40.4	-178.7	0	0	0	0	0	112.3	E39 A40	G36-E39 PolarHBondContact O-N 2.94Å; G36-A40 PolarHBondContact O-N 3.22Å
37	W	97.9	Very high	96.6	Very high	17 Å²	17	42.4 Å²	42.4	6%	0.064	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-37.7	175.1	-70.6	98.7	0	0	0	112.8	F26 D32 H35 E39 A40 F41 F118 L142 M215	F26-W37 HydrophobicContact CD1-CB 3.93Å; F26-W37 AromaticContact CD1-CD2 3.89Å; F26-W37 HydrophobicContact CD1-CD2 3.89Å; F26-W37 HydrophobicContact CD1-CE3 4.07Å; F26-W37 AromaticContact CD1-CG 3.8Å; F26-W37 HydrophobicContact CD1-CG 3.8Å; F26-W37 HydrophobicContact CE1-CB 4.21Å; F26-W37 AromaticContact CE1-CD2 3.22Å; F26-W37 HydrophobicContact CE1-CD2 3.22Å; F26-W37 AromaticContact CE1-CE2 3.71Å; F26-W37 AromaticContact CE1-CE3 3.34Å; F26-W37 HydrophobicContact CE1-CE3 3.34Å; F26-W37 AromaticContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CH2 4.28Å; F26-W37 HydrophobicContact CE1-CZ2 4.24Å; F26-W37 AromaticContact CE1-CZ3 3.88Å; F26-W37 HydrophobicContact CE1-CZ3 3.88Å; F26-W37 AromaticContact CZ-CD2 3.94Å; F26-W37 HydrophobicContact CZ-CD2 3.94Å; F26-W37 AromaticContact CZ-CE3 3.59Å; F26-W37 HydrophobicContact CZ-CE3 3.59Å; F26-W37 HydrophobicContact CZ-CH2 4.11Å; F26-W37 HydrophobicContact CZ-CZ2 4.46Å; F26-W37 AromaticContact CZ-CZ3 3.68Å; F26-W37 HydrophobicContact CZ-CZ3 3.68Å; D32-W37 PolarHBondContact OD2-NE1 3.41Å; D32-W37 VanDerWaalsContact OD2-NE1 3.14Å; H35-W37 VanDerWaalsContact C-N 3.28Å; H35-W37 PolarHBondContact O-N 2.94Å; W37-E39 VanDerWaalsContact C-N 3.31Å; W37-E39 PolarHBondContact O-N 3.49Å; W37-A40 PolarHBondContact O-N 3.39Å; W37-F41 HydrophobicContact CE3-CE2 4.34Å; W37-F41 WeakPolarHBondContact O-CD2 3.29Å; W37-F41 PolarHBondContact O-N 3.29Å; W37-F118 HydrophobicContact CH2-CB 3.81Å; W37-F118 AromaticContact CH2-CD2 3.82Å; W37-F118 HydrophobicContact CH2-CD2 3.82Å; W37-F118 AromaticContact CH2-CG 3.94Å; W37-F118 HydrophobicContact CH2-CG 3.94Å; W37-F118 HydrophobicContact CZ2-CB 3.27Å; W37-F118 AromaticContact CZ2-CD1 3.95Å; W37-F118 HydrophobicContact CZ2-CD1 3.95Å; W37-F118 AromaticContact CZ2-CD2 3.66Å; W37-F118 HydrophobicContact CZ2-CD2 3.66Å; W37-F118 HydrophobicContact CZ2-CE2 4.48Å; W37-F118 AromaticContact CZ2-CG 3.35Å; W37-F118 HydrophobicContact CZ2-CG 3.35Å; W37-L142 HydrophobicContact CH2-CD1 4.05Å; W37-L142 HydrophobicContact CZ3-CD1 3.94Å; W37-M215 HydrophobicContact CZ3-SD 4.34Å
38	A	98.1	Very high	96.6	Very high	12 Å²	12	43 Å²	43	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-40.8	173.7	0	0	0	0	0	111.7	A12 V14 G34 H35 F41 A42 C53	A12-A38 HydrophobicContact CB-CB 3.85Å; V14-A38 HydrophobicContact CG2-CB 4.06Å; V14-A38 WeakPolarHBondContact CG2-O 3.41Å; G34-A38 WeakPolarHBondContact O-CB 3.45Å; G34-A38 PolarHBondContact O-N 3.12Å; H35-A38 WeakPolarHBondContact O-CB 3.34Å; H35-A38 PolarHBondContact O-N 3.28Å; H35-A38 VanDerWaalsContact O-N 3.12Å; A38-F41 PolarHBondContact O-N 3.27Å; A38-A42 WeakPolarHBondContact O-CB 3.41Å; A38-A42 PolarHBondContact O-N 3.24Å; A38-C53 HydrophobicContact CB-CB 4.39Å
39	E	97.3	Very high	96.6	Very high	152 Å²	152	43 Å²	43	71%	0.71	26%	0.264	S	S	*	.	H	α-helix	trans	-63.9	-44.5	174.1	-70.1	-177.6	176.9	0	0	112.1	H35 G36 W37 F41 A42 G43	H35-E39 PolarHBondContact O-N 2.98Å; G36-E39 PolarHBondContact O-N 2.94Å; W37-E39 VanDerWaalsContact C-N 3.31Å; W37-E39 PolarHBondContact O-N 3.49Å; E39-F41 PolarHBondContact O-N 3.49Å; E39-A42 WeakPolarHBondContact O-CB 3.32Å; E39-A42 PolarHBondContact O-N 2.98Å; E39-G43 PolarHBondContact O-N 3.08Å
40	A	97.3	Very high	96.6	Very high	34 Å²	34	44.8 Å²	44.8	28%	0.281	27%	0.271	S	S	.	.	H	α-helix	trans	-59.5	-44.6	175.5	0	0	0	0	0	112	G36 W37 A42 G43 M215	G36-A40 PolarHBondContact O-N 3.22Å; W37-A40 PolarHBondContact O-N 3.39Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 2.92Å; A40-G43 PolarHBondContact O-N 2.98Å; A40-M215 HydrophobicContact CB-CE 4.11Å
41	F	98.4	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-32	176	-81.7	-66.3	0	0	0	113.1	V24 F26 W37 A38 E39 G43 I44 R45 Y51 M215 V218 I222	V24-F41 HydrophobicContact CG1-CE1 4.44Å; V24-F41 HydrophobicContact CG1-CZ 4.45Å; F26-F41 HydrophobicContact CB-CD2 4.36Å; F26-F41 HydrophobicContact CB-CE2 3.62Å; F26-F41 HydrophobicContact CB-CZ 4.2Å; F26-F41 AromaticContact CD1-CE2 3.85Å; F26-F41 HydrophobicContact CD1-CE2 3.85Å; F26-F41 AromaticContact CD2-CE2 3.39Å; F26-F41 HydrophobicContact CD2-CE2 3.39Å; F26-F41 AromaticContact CD2-CZ 3.35Å; F26-F41 HydrophobicContact CD2-CZ 3.35Å; F26-F41 HydrophobicContact CE1-CE2 4.36Å; F26-F41 AromaticContact CE2-CE2 3.93Å; F26-F41 HydrophobicContact CE2-CE2 3.93Å; F26-F41 AromaticContact CE2-CZ 3.77Å; F26-F41 HydrophobicContact CE2-CZ 3.77Å; F26-F41 HydrophobicContact CG-CD2 4.39Å; F26-F41 AromaticContact CG-CE2 3.32Å; F26-F41 HydrophobicContact CG-CE2 3.32Å; F26-F41 AromaticContact CG-CZ 3.81Å; F26-F41 HydrophobicContact CG-CZ 3.81Å; F26-F41 HydrophobicContact CZ-CE2 4.38Å; W37-F41 HydrophobicContact CE3-CE2 4.34Å; W37-F41 WeakPolarHBondContact O-CD2 3.29Å; W37-F41 PolarHBondContact O-N 3.29Å; A38-F41 PolarHBondContact O-N 3.27Å; E39-F41 PolarHBondContact O-N 3.49Å; F41-G43 PolarHBondContact O-N 2.68Å; F41-I44 HydrophobicContact CD1-CD1 3.85Å; F41-I44 HydrophobicContact CD1-CG1 4.05Å; F41-I44 HydrophobicContact CE1-CD1 4.05Å; F41-I44 CarbonylContact O-C 3.55Å; F41-I44 PolarHBondContact O-N 2.84Å; F41-R45 WeakPolarHBondContact O-CA 3.49Å; F41-R45 WeakPolarHBondContact O-CB 3.5Å; F41-R45 PolarHBondContact O-N 3.14Å; F41-Y51 HydrophobicContact CB-CD1 3.71Å; F41-Y51 HydrophobicContact CB-CE1 4.29Å; F41-Y51 HydrophobicContact CB-CG 3.94Å; F41-Y51 AromaticContact CD1-CD1 3.32Å; F41-Y51 HydrophobicContact CD1-CD1 3.32Å; F41-Y51 AromaticContact CD1-CE1 3.46Å; F41-Y51 HydrophobicContact CD1-CE1 3.46Å; F41-Y51 VanDerWaalsContact CD1-CE1 3.46Å; F41-Y51 HydrophobicContact CD1-CG 4.37Å; F41-Y51 HydrophobicContact CD2-CD1 4.43Å; F41-Y51 HydrophobicContact CE1-CD1 4.07Å; F41-Y51 HydrophobicContact CE1-CE1 4.14Å; F41-Y51 AromaticContact CG-CD1 3.56Å; F41-Y51 HydrophobicContact CG-CD1 3.56Å; F41-Y51 HydrophobicContact CG-CE1 4.12Å; F41-Y51 HydrophobicContact CG-CG 4.23Å; F41-M215 HydrophobicContact CD1-CE 4.48Å; F41-M215 HydrophobicContact CE1-CE 4.36Å; F41-V218 HydrophobicContact CE1-CG1 4.01Å; F41-V218 HydrophobicContact CZ-CG1 4.46Å; F41-I222 HydrophobicContact CE1-CD1 3.91Å
42	A	98.1	Very high	97	Very high	42 Å²	42	40.9 Å²	40.9	35%	0.347	24%	0.24	S	C	.	.	H	α-helix	trans	-59.7	-33.4	174.2	0	0	0	0	0	111.9	V14 A38 E39 A40 I44 R45	V14-A42 HydrophobicContact CG1-CB 4.23Å; V14-A42 HydrophobicContact CG2-CB 4.21Å; A38-A42 WeakPolarHBondContact O-CB 3.41Å; A38-A42 PolarHBondContact O-N 3.24Å; E39-A42 WeakPolarHBondContact O-CB 3.32Å; E39-A42 PolarHBondContact O-N 2.98Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 2.92Å; A42-I44 VanDerWaalsContact C-N 3.28Å; A42-I44 PolarHBondContact O-N 2.93Å; A42-R45 WeakPolarHBondContact O-CG 3.5Å
43	G	97.5	Very high	97.3	Very high	69 Å²	69	38.1 Å²	38.1	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.8	175.3	0	0	0	0	0	115	E39 A40 F41	E39-G43 PolarHBondContact O-N 3.08Å; A40-G43 PolarHBondContact O-N 2.98Å; F41-G43 PolarHBondContact O-N 2.68Å
44	I	97.8	Very high	97.5	Very high	8 Å²	8	36 Å²	36	4%	0.041	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	10	-178.8	65.8	160.6	0	0	0	113.8	F41 A42 M215 M216 V218 K219	F41-I44 HydrophobicContact CD1-CD1 3.85Å; F41-I44 HydrophobicContact CD1-CG1 4.05Å; F41-I44 HydrophobicContact CE1-CD1 4.05Å; F41-I44 CarbonylContact O-C 3.55Å; F41-I44 PolarHBondContact O-N 2.84Å; A42-I44 VanDerWaalsContact C-N 3.28Å; A42-I44 PolarHBondContact O-N 2.93Å; I44-M215 HydrophobicContact CD1-CE 3.72Å; I44-M215 HydrophobicContact CG1-CE 4.27Å; I44-M215 HydrophobicContact CG2-CB 4.38Å; I44-M216 HydrophobicContact CG2-CE 3.39Å; I44-V218 HydrophobicContact CD1-CG1 4.15Å; I44-K219 HydrophobicContact CB-CB 4.05Å; I44-K219 HydrophobicContact CB-CD 4.03Å; I44-K219 HydrophobicContact CB-CG 4.05Å; I44-K219 HydrophobicContact CD1-CB 3.94Å; I44-K219 HydrophobicContact CG2-CB 4.41Å; I44-K219 HydrophobicContact CG2-CD 4.42Å
45	R	96.9	Very high	97.7	Very high	142 Å²	142	36.8 Å²	36.8	54%	0.536	22%	0.216	S	C	.	.			trans	-60.8	144	-168.3	70.8	-177.1	-178.4	166.4	-2.4	113.4	V14 F41 A42 Y51	V14-R45 HydrophobicContact CG1-CB 4.38Å; F41-R45 WeakPolarHBondContact O-CA 3.49Å; F41-R45 WeakPolarHBondContact O-CB 3.5Å; F41-R45 PolarHBondContact O-N 3.14Å; A42-R45 WeakPolarHBondContact O-CG 3.5Å; R45-Y51 HydrophobicContact CB-CD2 4.42Å; R45-Y51 HydrophobicContact CB-CE2 3.78Å
46	S	97.5	Very high	97.8	Very high	20 Å²	20	31.9 Å²	31.9	14%	0.14	19%	0.194	C	C	.	.			trans	-96.9	153.3	167.7	-169.1	0	0	0	0	111.8	H48 I49 Y51	S46-H48 VanDerWaalsContact C-N 3.29Å; S46-H48 PolarHBondContact O-N 3.15Å; S46-H48 PolarHBondContact OG-CE1 2.96Å; S46-H48 PolarHBondContact OG-ND1 3.11Å; S46-I49 PolarHBondContact O-N 3.34Å; S46-Y51 PolarHBondContact N-OH 3.21Å; S46-Y51 VanDerWaalsContact N-OH 3.1Å
47	S	97.7	Very high	97.9	Very high	43 Å²	43	32.2 Å²	32.2	30%	0.301	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.2	-172	71.7	0	0	0	0	114.5	A17 R18	A17-S47 PolarHBondContact N-O 2.88Å; R18-S47 PolarHBondContact N-O 2.68Å
48	H	98.3	Very high	97.9	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.065	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	7.2	-176.5	61.1	-82.1	0	0	0	113.6	A20 T21 A22 S46 L226	A20-H48 WeakPolarHBondContact CA-O 3.39Å; T21-H48 PolarHBondContact N-O 3.09Å; T21-H48 PolarHBondContact OG1-CD2 2.98Å; A22-H48 PolarHBondContact N-O 3.2Å; S46-H48 VanDerWaalsContact C-N 3.29Å; S46-H48 PolarHBondContact O-N 3.15Å; S46-H48 PolarHBondContact OG-CE1 2.96Å; S46-H48 PolarHBondContact OG-ND1 3.11Å; H48-L226 PolarHBondContact NE2-O 3.43Å
49	I	98.8	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.7	-177.7	-55.1	-177.6	0	0	0	109.5	A22 V24 S46 Y51 I222 L226	A22-I49 HydrophobicContact CB-CG1 3.95Å; A22-I49 WeakPolarHBondContact O-CA 3.46Å; V24-I49 HydrophobicContact CG2-CG2 3.86Å; S46-I49 PolarHBondContact O-N 3.34Å; I49-Y51 HydrophobicContact CB-CE2 3.99Å; I49-Y51 HydrophobicContact CG2-CD2 4.36Å; I49-Y51 HydrophobicContact CG2-CE1 4.26Å; I49-Y51 HydrophobicContact CG2-CE2 3.87Å; I49-I222 HydrophobicContact CD1-CG2 3.6Å; I49-L226 HydrophobicContact CD1-CB 3.82Å; I49-L226 HydrophobicContact CD1-CD1 4.18Å
50	K	98.7	Very high	97.8	Very high	41 Å²	41	35.4 Å²	35.4	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.6	170.2	177.7	-172.1	172.6	-161.8	0	109	I13 A20 A22 A23 V24 I52 E103	I13-K50 HydrophobicContact CG2-CG 4.13Å; A20-K50 HydrophobicContact CB-CB 3.99Å; A22-K50 PolarHBondContact O-N 3.2Å; A23-K50 CarbonylContact C-O 3.54Å; A23-K50 WeakPolarHBondContact CA-O 3.49Å; V24-K50 PolarHBondContact N-O 3.47Å; K50-I52 HydrophobicContact CD-CD1 4.01Å; K50-I52 HydrophobicContact CD-CG1 4.09Å; K50-I52 HydrophobicContact CG-CD1 4.39Å; K50-I52 HydrophobicContact CG-CG1 3.99Å; K50-E103 IonicContact NZ-OE1 2.85Å; K50-E103 PolarHBondContact NZ-OE1 3.42Å; K50-E103 IonicContact NZ-OE2 2.78Å; K50-E103 PolarHBondContact NZ-OE2 3.4Å
51	Y	98.8	Very high	97.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.4	175	-54	-105.4	0	0	0	109.2	I13 V14 V24 F41 R45 S46 I49 I222	I13-Y51 WeakPolarHBondContact CA-O 3.33Å; V14-Y51 HydrophobicContact CB-CD2 4.12Å; V14-Y51 HydrophobicContact CB-CG 4.44Å; V14-Y51 HydrophobicContact CG1-CD2 4.37Å; V14-Y51 PolarHBondContact N-O 3.4Å; V14-Y51 PolarHBondContact O-N 3.34Å; V24-Y51 HydrophobicContact CB-CD1 3.63Å; V24-Y51 HydrophobicContact CB-CE1 4.08Å; V24-Y51 HydrophobicContact CB-CG 4.36Å; V24-Y51 HydrophobicContact CG1-CD1 4.07Å; V24-Y51 HydrophobicContact CG2-CD1 3.9Å; V24-Y51 HydrophobicContact CG2-CE1 3.8Å; V24-Y51 CarbonylContact O-C 3.57Å; V24-Y51 WeakPolarHBondContact O-CA 3.09Å; F41-Y51 HydrophobicContact CB-CD1 3.71Å; F41-Y51 HydrophobicContact CB-CE1 4.29Å; F41-Y51 HydrophobicContact CB-CG 3.94Å; F41-Y51 AromaticContact CD1-CD1 3.32Å; F41-Y51 HydrophobicContact CD1-CD1 3.32Å; F41-Y51 AromaticContact CD1-CE1 3.46Å; F41-Y51 HydrophobicContact CD1-CE1 3.46Å; F41-Y51 VanDerWaalsContact CD1-CE1 3.46Å; F41-Y51 HydrophobicContact CD1-CG 4.37Å; F41-Y51 HydrophobicContact CD2-CD1 4.43Å; F41-Y51 HydrophobicContact CE1-CD1 4.07Å; F41-Y51 HydrophobicContact CE1-CE1 4.14Å; F41-Y51 AromaticContact CG-CD1 3.56Å; F41-Y51 HydrophobicContact CG-CD1 3.56Å; F41-Y51 HydrophobicContact CG-CE1 4.12Å; F41-Y51 HydrophobicContact CG-CG 4.23Å; R45-Y51 HydrophobicContact CB-CD2 4.42Å; R45-Y51 HydrophobicContact CB-CE2 3.78Å; S46-Y51 PolarHBondContact N-OH 3.21Å; S46-Y51 VanDerWaalsContact N-OH 3.1Å; I49-Y51 HydrophobicContact CB-CE2 3.99Å; I49-Y51 HydrophobicContact CG2-CD2 4.36Å; I49-Y51 HydrophobicContact CG2-CE1 4.26Å; I49-Y51 HydrophobicContact CG2-CE2 3.87Å; Y51-I222 HydrophobicContact CE1-CD1 4.34Å
52	I	98.9	Very high	97.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.4	-171.8	-52.6	171.9	0	0	0	107.4	P11 A23 V24 I25 F26 K50 P54 L99 E103	P11-I52 HydrophobicContact CB-CG2 3.77Å; P11-I52 HydrophobicContact CG-CG2 4.16Å; A23-I52 HydrophobicContact CB-CD1 4.44Å; V24-I52 PolarHBondContact O-N 2.78Å; I25-I52 CarbonylContact C-O 3.6Å; I25-I52 WeakPolarHBondContact CA-O 3.26Å; I25-I52 HydrophobicContact CG1-CB 4.3Å; I25-I52 HydrophobicContact CG1-CD1 4.2Å; F26-I52 PolarHBondContact N-O 2.85Å; K50-I52 HydrophobicContact CD-CD1 4.01Å; K50-I52 HydrophobicContact CD-CG1 4.09Å; K50-I52 HydrophobicContact CG-CD1 4.39Å; K50-I52 HydrophobicContact CG-CG1 3.99Å; I52-P54 VanDerWaalsContact O-CD 3.22Å; I52-P54 WeakPolarHBondContact O-CD 3.5Å; I52-L99 HydrophobicContact CG2-CD2 4.47Å; I52-E103 HydrophobicContact CD1-CG 3.65Å; I52-E103 WeakPolarHBondContact CD1-OE1 3.22Å; I52-E103 WeakPolarHBondContact CD1-OE2 3.44Å
53	C	98.8	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	85.7	179.4	-56.7	0	0	0	0	108.5	A12 F26 G34 A38	A12-C53 HydrophobicContact CB-CB 4.3Å; A12-C53 PolarHBondContact N-O 3.18Å; A12-C53 PolarHBondContact O-N 3.48Å; F26-C53 WeakPolarHBondContact O-CA 3.35Å; G34-C53 WeakPolarHBondContact O-CB 3.38Å; A38-C53 HydrophobicContact CB-CB 4.39Å
54	P	98.4	Very high	97.7	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.078	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-64.7	156.1	-179.7	28.4	-35.5	0	0	0	111.8	P11 I25 F26 L27 H28 I52 W72 L99	P11-P54 HydrophobicContact CB-CB 4.38Å; P11-P54 HydrophobicContact CG-CB 4.19Å; I25-P54 HydrophobicContact CG2-CG 4.47Å; F26-P54 WeakPolarHBondContact O-CD 3.46Å; L27-P54 HydrophobicContact CD2-CG 3.48Å; L27-P54 VanDerWaalsContact CD2-CG 3.48Å; H28-P54 PolarHBondContact CD2-O 2.95Å; H28-P54 VanDerWaalsContact CD2-O 3.32Å; I52-P54 VanDerWaalsContact O-CD 3.22Å; I52-P54 WeakPolarHBondContact O-CD 3.5Å; P54-W72 HydrophobicContact CB-CH2 3.98Å; P54-W72 HydrophobicContact CG-CH2 3.74Å; P54-W72 HydrophobicContact CG-CZ2 4.41Å; P54-L99 HydrophobicContact CB-CD2 4.18Å; P54-L99 HydrophobicContact CG-CD2 3.98Å
55	H	97.5	Very high	97.7	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.079	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-94.1	128.8	174.4	-60	-71.2	0	0	0	110.4	P9 L10 A12 G34 H35	P9-H55 HydrophobicContact CG-CB 4.02Å; L10-H55 PolarHBondContact O-CD2 2.82Å; L10-H55 PolarHBondContact O-NE2 3.13Å; A12-H55 PolarHBondContact N-NE2 3.13Å; G34-H55 PolarHBondContact N-CE1 3.48Å; G34-H55 PolarHBondContact N-ND1 3.38Å; H35-H55 AromaticContact CE1-CE1 3.58Å; H35-H55 AromaticContact CE1-NE2 3.82Å; H35-H55 AromaticContact ND1-CE1 3.48Å; H35-H55 PolarHBondContact ND1-CE1 3.39Å
56	A	97.6	Very high	97.7	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.7	148.1	170.5	0	0	0	0	0	111	H28 P70 W72	H28-A56 PolarHBondContact NE2-N 3.48Å; A56-P70 HydrophobicContact CB-CB 4.31Å; A56-W72 HydrophobicContact CB-CD2 3.74Å; A56-W72 HydrophobicContact CB-CE3 3.99Å; A56-W72 HydrophobicContact CB-CG 4.17Å; A56-W72 HydrophobicContact CB-CH2 4.18Å; A56-W72 HydrophobicContact CB-CZ2 3.98Å; A56-W72 HydrophobicContact CB-CZ3 4.21Å
57	P	96.4	Very high	97.7	Very high	45 Å²	45	48.5 Å²	48.5	29%	0.292	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-63.9	147.4	171.6	28.1	-33.9	0	0	0	111.3	T8 R59 P70 S71	T8-P57 VanDerWaalsContact CG2-CA 3.4Å; T8-P57 HydrophobicContact CG2-CB 3.87Å; P57-R59 PolarHBondContact O-N 3.3Å; P57-P70 WeakPolarHBondContact O-CA 3.17Å; P57-S71 PolarHBondContact O-N 3.43Å
58	V	97.1	Very high	97.7	Very high	103 Å²	103	49.5 Å²	49.5	62%	0.624	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.8	170.9	177.8	0	0	0	0	108.7	A68 M69 P70	V58-A68 HydrophobicContact CG1-CB 4.01Å; V58-M69 WeakPolarHBondContact CA-O 3.46Å; V58-P70 HydrophobicContact CG2-CG 4.31Å
59	R	96.6	Very high	97.7	Very high	67 Å²	67	50.1 Å²	50.1	25%	0.253	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157	179.5	65.8	-169.3	-53.3	164.2	4	111.4	P57 A68 M69 S71 W72	P57-R59 PolarHBondContact O-N 3.3Å; R59-A68 WeakPolarHBondContact O-CA 3.35Å; R59-M69 PolarHBondContact N-O 3.06Å; R59-M69 PolarHBondContact O-N 3.46Å; R59-M69 VanDerWaalsContact O-O 3.1Å; R59-S71 WeakPolarHBondContact CD-O 3.41Å; R59-W72 PolarHBondContact NH1-O 2.62Å
60	P	97.8	Very high	97.6	Very high	77 Å²	77	51.5 Å²	51.5	50%	0.5	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.9	169.1	-22.3	34.3	0	0	0	111	N66	P60-N66 HydrophobicContact CB-CB 4.34Å
61	V	98.3	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.6	177.8	177.8	0	0	0	0	110.3	L30 L63 N64 N66 M67 M69 D74 I75	L30-V61 HydrophobicContact CD1-CG1 4.14Å; L30-V61 HydrophobicContact CD1-CG2 3.85Å; L30-V61 HydrophobicContact CD2-CG1 4.32Å; V61-L63 HydrophobicContact CG1-CB 4.23Å; V61-L63 PolarHBondContact O-N 2.99Å; V61-N64 HydrophobicContact CB-CB 4.48Å; V61-N64 CarbonylContact O-C 3.55Å; V61-N64 PolarHBondContact O-N 3.26Å; V61-N66 VanDerWaalsContact O-CA 3.28Å; V61-N66 WeakPolarHBondContact O-CA 3.34Å; V61-N66 PolarHBondContact O-N 2.99Å; V61-M67 PolarHBondContact N-O 2.92Å; V61-M67 VanDerWaalsContact N-O 3.14Å; V61-M69 HydrophobicContact CB-CG 4.49Å; V61-M69 HydrophobicContact CG2-CG 3.86Å; V61-D74 WeakPolarHBondContact CA-OD1 3.44Å; V61-I75 HydrophobicContact CG1-CB 4.26Å
62	T	97.9	Very high	97.6	Very high	59 Å²	59	50.4 Å²	50.4	36%	0.362	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58.3	-45.4	-174	-68.2	0	0	0	0	111.8	N64 M65 D74 I76	T62-N64 PolarHBondContact O-N 3.26Å; T62-N64 VanDerWaalsContact O-N 3.13Å; T62-M65 PolarHBondContact O-N 3.02Å; T62-M65 VanDerWaalsContact O-N 3.15Å; T62-D74 WeakPolarHBondContact CB-OD2 3.35Å; T62-D74 PolarHBondContact N-OD1 2.74Å; T62-D74 PolarHBondContact OG1-OD2 3.42Å; T62-I76 HydrophobicContact CG2-CG2 4.22Å
63	L	96.5	Very high	97.6	Very high	62 Å²	62	50.4 Å²	50.4	33%	0.325	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33	177.3	-178.7	70.2	0	0	0	112.5	V61 I75 L78	V61-L63 HydrophobicContact CG1-CB 4.23Å; V61-L63 PolarHBondContact O-N 2.99Å; L63-I75 HydrophobicContact CB-CB 4.32Å; L63-I75 HydrophobicContact CB-CG2 4.04Å; L63-I75 WeakPolarHBondContact CB-O 3.37Å; L63-I75 HydrophobicContact CD2-CG2 3.72Å; L63-I75 HydrophobicContact CG-CG2 4.41Å; L63-I75 PolarHBondContact N-O 2.88Å; L63-L78 HydrophobicContact CD1-CG 4.27Å; L63-L78 HydrophobicContact CD2-CD1 3.91Å; L63-L78 HydrophobicContact CD2-CD2 4.15Å; L63-L78 HydrophobicContact CD2-CG 3.86Å
64	N	96.4	Very high	97.5	Very high	60 Å²	60	51.9 Å²	51.9	32%	0.321	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-104	39.6	-177.5	-71.2	-20.8	0	0	0	112	V61 T62 N66 M67 M69	V61-N64 HydrophobicContact CB-CB 4.48Å; V61-N64 CarbonylContact O-C 3.55Å; V61-N64 PolarHBondContact O-N 3.26Å; T62-N64 PolarHBondContact O-N 3.26Å; T62-N64 VanDerWaalsContact O-N 3.13Å; N64-N66 PolarHBondContact O-N 2.89Å; N64-M67 HydrophobicContact CB-CB 4.48Å; N64-M67 WeakPolarHBondContact O-CB 3.4Å; N64-M67 PolarHBondContact O-N 2.74Å; N64-M69 HydrophobicContact CB-CE 3.63Å; N64-M69 HydrophobicContact CB-SD 4.44Å; N64-M69 VanDerWaalsContact ND2-CE 3.29Å; N64-M69 WeakPolarHBondContact ND2-CE 3.39Å; N64-M69 PolarHBondContact ND2-SD 3.43Å
65	M	96.9	Very high	97.5	Very high	183 Å²	183	51.8 Å²	51.8	90%	0.901	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	37.7	177.3	-55.3	-178.7	-179.9	0	0	113	T62 M67	T62-M65 PolarHBondContact O-N 3.02Å; T62-M65 VanDerWaalsContact O-N 3.15Å; M65-M67 PolarHBondContact O-N 2.98Å
66	N	96.9	Very high	97.4	Very high	104 Å²	104	54.2 Å²	54.2	56%	0.556	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	19.4	-176.9	-58.5	-50.5	0	0	0	115	P60 V61 N64 A68	P60-N66 HydrophobicContact CB-CB 4.34Å; V61-N66 VanDerWaalsContact O-CA 3.28Å; V61-N66 WeakPolarHBondContact O-CA 3.34Å; V61-N66 PolarHBondContact O-N 2.99Å; N64-N66 PolarHBondContact O-N 2.89Å; N66-A68 PolarHBondContact O-N 3.05Å
67	M	97.1	Very high	97.1	Very high	123 Å²	123	55 Å²	55	61%	0.606	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.3	172.2	-174.4	179	-64.2	0	0	110.3	V61 N64 M65 M69	V61-M67 PolarHBondContact N-O 2.92Å; V61-M67 VanDerWaalsContact N-O 3.14Å; N64-M67 HydrophobicContact CB-CB 4.48Å; N64-M67 WeakPolarHBondContact O-CB 3.4Å; N64-M67 PolarHBondContact O-N 2.74Å; M65-M67 PolarHBondContact O-N 2.98Å; M67-M69 HydrophobicContact CB-CE 3.86Å; M67-M69 HydrophobicContact CG-CE 3.91Å; M67-M69 HydrophobicContact SD-CE 3.94Å
68	A	97.8	Very high	96.6	Very high	64 Å²	64	56 Å²	56	53%	0.529	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.3	178.8	0	0	0	0	0	111	V58 R59 N66	V58-A68 HydrophobicContact CG1-CB 4.01Å; R59-A68 WeakPolarHBondContact O-CA 3.35Å; N66-A68 PolarHBondContact O-N 3.05Å
69	M	97.5	Very high	96.1	Very high	27 Å²	27	54 Å²	54	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.8	177.6	61.6	-172.6	70.6	0	0	111.1	L30 V58 R59 V61 N64 M67 S71	L30-M69 HydrophobicContact CD1-CG 4.02Å; L30-M69 HydrophobicContact CD1-SD 3.85Å; L30-M69 HydrophobicContact CD2-SD 4.38Å; L30-M69 HydrophobicContact CG-SD 4.04Å; V58-M69 WeakPolarHBondContact CA-O 3.46Å; R59-M69 PolarHBondContact N-O 3.06Å; R59-M69 PolarHBondContact O-N 3.46Å; R59-M69 VanDerWaalsContact O-O 3.1Å; V61-M69 HydrophobicContact CB-CG 4.49Å; V61-M69 HydrophobicContact CG2-CG 3.86Å; N64-M69 HydrophobicContact CB-CE 3.63Å; N64-M69 HydrophobicContact CB-SD 4.44Å; N64-M69 VanDerWaalsContact ND2-CE 3.29Å; N64-M69 WeakPolarHBondContact ND2-CE 3.39Å; N64-M69 PolarHBondContact ND2-SD 3.43Å; M67-M69 HydrophobicContact CB-CE 3.86Å; M67-M69 HydrophobicContact CG-CE 3.91Å; M67-M69 HydrophobicContact SD-CE 3.94Å; M69-S71 PolarHBondContact O-N 2.95Å
70	P	97.9	Very high	95.3	Very high	29 Å²	29	53 Å²	53	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	119.1	173.3	-25.3	35.2	0	0	0	111.4	G31 D32 A56 P57 V58	G31-P70 PolarHBondContact N-O 2.83Å; D32-P70 WeakPolarHBondContact O-CB 3.39Å; A56-P70 HydrophobicContact CB-CB 4.31Å; P57-P70 WeakPolarHBondContact O-CA 3.17Å; V58-P70 HydrophobicContact CG2-CG 4.31Å
71	S	98.3	Very high	94.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.			trans	-153.3	135.6	179.1	-167.7	0	0	0	0	111.2	P57 R59 M69 F73 Q120	P57-S71 PolarHBondContact O-N 3.43Å; R59-S71 WeakPolarHBondContact CD-O 3.41Å; M69-S71 PolarHBondContact O-N 2.95Å; S71-F73 PolarHBondContact OG-O 3.31Å; S71-Q120 PolarHBondContact OG-NE2 3.48Å; S71-Q120 PolarHBondContact OG-OE1 3.05Å
72	W	98.5	Very high	94.4	Very high	19 Å²	19	57.7 Å²	57.7	7%	0.072	33%	0.326	C	S	.	.	S	Bend	trans	-70.3	-41.6	-178.7	-63	104.5	0	0	0	112	L27 H28 P54 A56 R59 A92 I96 L124	L27-W72 HydrophobicContact CB-CZ2 3.97Å; L27-W72 HydrophobicContact CD2-CH2 3.99Å; L27-W72 HydrophobicContact CD2-CZ2 3.97Å; L27-W72 HydrophobicContact CG-CZ2 4.49Å; H28-W72 AromaticContact CD2-CZ2 3.88Å; H28-W72 AromaticContact NE2-CZ2 3.91Å; H28-W72 PolarHBondContact O-NE1 2.96Å; P54-W72 HydrophobicContact CB-CH2 3.98Å; P54-W72 HydrophobicContact CG-CH2 3.74Å; P54-W72 HydrophobicContact CG-CZ2 4.41Å; A56-W72 HydrophobicContact CB-CD2 3.74Å; A56-W72 HydrophobicContact CB-CE3 3.99Å; A56-W72 HydrophobicContact CB-CG 4.17Å; A56-W72 HydrophobicContact CB-CH2 4.18Å; A56-W72 HydrophobicContact CB-CZ2 3.98Å; A56-W72 HydrophobicContact CB-CZ3 4.21Å; R59-W72 PolarHBondContact NH1-O 2.62Å; W72-A92 HydrophobicContact CB-CB 4.49Å; W72-I96 HydrophobicContact CZ3-CD1 4.13Å; W72-L124 HydrophobicContact CB-CD2 3.75Å; W72-L124 HydrophobicContact CD2-CD2 3.92Å; W72-L124 HydrophobicContact CE3-CD2 4.02Å; W72-L124 HydrophobicContact CG-CD2 3.81Å
73	F	98.6	Very high	94.3	Very high	3 Å²	3	62.2 Å²	62.2	1%	0.013	34%	0.344	C	S	.	.	S	Bend	trans	-145.9	171.7	177.3	50.5	-95	0	0	0	109	S71 I75 I89 Q120 L124 W145	S71-F73 PolarHBondContact OG-O 3.31Å; F73-I75 HydrophobicContact CE2-CG1 4.46Å; F73-I89 HydrophobicContact CB-CG1 4.07Å; F73-I89 HydrophobicContact CD1-CG1 3.76Å; F73-I89 HydrophobicContact CD2-CD1 4.12Å; F73-I89 HydrophobicContact CD2-CG1 3.52Å; F73-I89 HydrophobicContact CE1-CG1 4Å; F73-I89 HydrophobicContact CE2-CD1 4.1Å; F73-I89 HydrophobicContact CE2-CG1 3.77Å; F73-I89 HydrophobicContact CG-CG1 3.51Å; F73-I89 HydrophobicContact CZ-CG1 4Å; F73-Q120 HydrophobicContact CD1-CG 4.19Å; F73-Q120 HydrophobicContact CD2-CG 4.43Å; F73-Q120 HydrophobicContact CE1-CG 3.54Å; F73-Q120 HydrophobicContact CE2-CG 3.82Å; F73-Q120 HydrophobicContact CZ-CG 3.33Å; F73-Q120 PolarHBondContact O-NE2 3.05Å; F73-L124 HydrophobicContact CE1-CB 4.13Å; F73-W145 HydrophobicContact CE2-CZ2 4.44Å; F73-W145 HydrophobicContact CZ-CZ2 4.42Å
74	D	98.3	Very high	94.3	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.16	34%	0.343	C	S	.	.			trans	-73.9	143.6	177.9	-168.6	20.4	0	0	0	111.6	V61 T62 D85	V61-D74 WeakPolarHBondContact CA-OD1 3.44Å; T62-D74 WeakPolarHBondContact CB-OD2 3.35Å; T62-D74 PolarHBondContact N-OD1 2.74Å; T62-D74 PolarHBondContact OG1-OD2 3.42Å; D74-D85 HydrophobicContact CB-CB 3.92Å; D74-D85 PolarHBondContact N-OD2 3.08Å; D74-D85 WeakPolarHBondContact O-CB 3.46Å
75	I	96.6	Very high	94.4	Very high	11 Å²	11	60.7 Å²	60.7	6%	0.056	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-112.4	119.4	172.5	-63	173.9	0	0	0	106.9	L30 V61 L63 F73 L78 Q120	L30-I75 HydrophobicContact CB-CD1 4.26Å; L30-I75 HydrophobicContact CD2-CD1 4.09Å; V61-I75 HydrophobicContact CG1-CB 4.26Å; L63-I75 HydrophobicContact CB-CB 4.32Å; L63-I75 HydrophobicContact CB-CG2 4.04Å; L63-I75 WeakPolarHBondContact CB-O 3.37Å; L63-I75 HydrophobicContact CD2-CG2 3.72Å; L63-I75 HydrophobicContact CG-CG2 4.41Å; L63-I75 PolarHBondContact N-O 2.88Å; F73-I75 HydrophobicContact CE2-CG1 4.46Å; I75-L78 HydrophobicContact CG2-CD2 4.19Å; I75-Q120 HydrophobicContact CD1-CB 4.19Å; I75-Q120 HydrophobicContact CD1-CG 4.05Å; I75-Q120 VanDerWaalsContact CG1-NE2 3.34Å
76	I	96.1	Very high	94.5	Very high	68 Å²	68	56.5 Å²	56.5	35%	0.349	31%	0.312	S	S	.	.			trans	-95.2	-36.8	-176.5	-56.8	166.8	0	0	0	110.7	T62 Q83	T62-I76 HydrophobicContact CG2-CG2 4.22Å; I76-Q83 WeakPolarHBondContact CB-O 3.44Å; I76-Q83 HydrophobicContact CD1-CB 4.08Å
77	G	91.3	Very high	94.5	Very high	22 Å²	22	55.9 Å²	55.9	23%	0.227	32%	0.316	C	S	.	.			trans	-162.8	169.3	-179.5	0	0	0	0	0	112.3	S82	G77-S82 WeakPolarHBondContact CA-OG 3.28Å
78	L	86.1	Confident	94.6	Very high	65 Å²	65	50 Å²	50	34%	0.34	29%	0.287	S	S	.	.	S	Bend	trans	-117.2	18.9	-178.4	-62.6	175.9	0	0	0	112.7	L63 I75 S82 F181	L63-L78 HydrophobicContact CD1-CG 4.27Å; L63-L78 HydrophobicContact CD2-CD1 3.91Å; L63-L78 HydrophobicContact CD2-CD2 4.15Å; L63-L78 HydrophobicContact CD2-CG 3.86Å; I75-L78 HydrophobicContact CG2-CD2 4.19Å; L78-S82 PolarHBondContact N-OG 3Å; L78-F181 WeakPolarHBondContact O-CE2 3.49Å; L78-F181 WeakPolarHBondContact O-CZ 3.48Å
79	S	87.2	Confident	94.7	Very high	60 Å²	60	47 Å²	47	42%	0.42	26%	0.262	S	S	.	.	S	Bend	trans	-95.9	157.6	174.1	77.3	0	0	0	0	111.3	D81 S82	S79-D81 PolarHBondContact O-N 3.46Å; S79-S82 PolarHBondContact N-OG 3.03Å; S79-S82 VanDerWaalsContact O-CB 3.31Å; S79-S82 WeakPolarHBondContact O-CB 3.39Å; S79-S82 PolarHBondContact O-N 2.83Å; S79-S82 PolarHBondContact O-OG 3.35Å; S79-S82 PolarHBondContact OG-N 3.44Å; S79-S82 VanDerWaalsContact OG-N 3.16Å; S79-S82 PolarHBondContact OG-OG 2.91Å
80	P	78.9	Confident	94.7	Very high	48 Å²	48	50.1 Å²	50.1	31%	0.312	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.2	175.9	-23.8	33.3	0	0	0	115.3	R149 M180 F181	P80-R149 PolarHBondContact O-NH1 3.11Å; P80-R149 PolarHBondContact O-NH2 3.32Å; P80-M180 HydrophobicContact CG-CE 3.95Å; P80-F181 HydrophobicContact CB-CE1 4.48Å; P80-F181 HydrophobicContact CG-CD1 4.35Å; P80-F181 HydrophobicContact CG-CE1 3.45Å; P80-F181 VanDerWaalsContact CG-CE1 3.45Å; P80-F181 HydrophobicContact CG-CZ 3.83Å
81	D	85.4	Confident	94.8	Very high	141 Å²	141	54.1 Å²	54.1	75%	0.754	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	4.1	-176.2	-55	-42.3	0	0	0	111.9	S79	S79-D81 PolarHBondContact O-N 3.46Å
82	S	91.4	Very high	94.8	Very high	33 Å²	33	54.3 Å²	54.3	23%	0.231	29%	0.293	C	S	.	.			trans	-62.7	139	175.3	-68	0	0	0	0	109.9	G77 L78 S79	G77-S82 WeakPolarHBondContact CA-OG 3.28Å; L78-S82 PolarHBondContact N-OG 3Å; S79-S82 PolarHBondContact N-OG 3.03Å; S79-S82 VanDerWaalsContact O-CB 3.31Å; S79-S82 WeakPolarHBondContact O-CB 3.39Å; S79-S82 PolarHBondContact O-N 2.83Å; S79-S82 PolarHBondContact O-OG 3.35Å; S79-S82 PolarHBondContact OG-N 3.44Å; S79-S82 VanDerWaalsContact OG-N 3.16Å; S79-S82 PolarHBondContact OG-OG 2.91Å
83	Q	95.6	Very high	94.8	Very high	155 Å²	155	53.4 Å²	53.4	72%	0.724	29%	0.289	S	S	*	.			trans	-63.7	147.3	168.7	-68.8	-172.1	-28	0	0	109.8	I76	I76-Q83 WeakPolarHBondContact CB-O 3.44Å; I76-Q83 HydrophobicContact CD1-CB 4.08Å
84	E	97.8	Very high	94.8	Very high	65 Å²	65	58.3 Å²	58.3	30%	0.304	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-116.9	148	177.5	-67.3	-177.2	107.2	0	0	110.2	E86 I89 W145 P147 L148	E84-E86 PolarHBondContact O-N 3.47Å; E84-I89 HydrophobicContact CB-CD1 3.99Å; E84-W145 PolarHBondContact OE1-NE1 2.79Å; E84-P147 VanDerWaalsContact OE1-CA 3.24Å; E84-P147 WeakPolarHBondContact OE1-CA 3.4Å; E84-P147 VanDerWaalsContact OE1-CB 3.28Å; E84-P147 WeakPolarHBondContact OE1-CB 3.18Å; E84-L148 HydrophobicContact CB-CD2 3.96Å; E84-L148 WeakPolarHBondContact OE2-CA 3.31Å; E84-L148 PolarHBondContact OE2-N 2.81Å
85	D	98.1	Very high	94.8	Very high	24 Å²	24	60.7 Å²	60.7	13%	0.128	33%	0.325	C	S	.	.			trans	-73.7	76.5	175.3	176.3	15.7	0	0	0	110.8	D74 S87 G88 I89	D74-D85 HydrophobicContact CB-CB 3.92Å; D74-D85 PolarHBondContact N-OD2 3.08Å; D74-D85 WeakPolarHBondContact O-CB 3.46Å; D85-S87 PolarHBondContact O-N 2.87Å; D85-S87 PolarHBondContact OD1-OG 2.86Å; D85-G88 PolarHBondContact O-N 3.17Å; D85-G88 PolarHBondContact OD1-N 3.31Å; D85-G88 VanDerWaalsContact OD2-CA 3.31Å; D85-G88 WeakPolarHBondContact OD2-CA 3.27Å; D85-I89 WeakPolarHBondContact O-CB 3.44Å; D85-I89 WeakPolarHBondContact O-CD1 3.42Å; D85-I89 VanDerWaalsContact O-CG1 3.23Å; D85-I89 WeakPolarHBondContact O-CG1 3.25Å; D85-I89 PolarHBondContact O-N 3.03Å
86	E	98.5	Very high	94.9	Very high	95 Å²	95	60.3 Å²	60.3	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-53.2	-41.9	-178.2	176.3	174.9	174.2	0	0	112.2	E84 K90 L148	E84-E86 PolarHBondContact O-N 3.47Å; E86-K90 HydrophobicContact CG-CD 4.1Å; E86-K90 WeakPolarHBondContact O-CB 3.26Å; E86-K90 WeakPolarHBondContact O-CG 3.39Å; E86-K90 PolarHBondContact O-N 3.5Å; E86-K90 WeakPolarHBondContact OE1-CE 3.38Å; E86-K90 IonicContact OE1-NZ 2.62Å; E86-K90 PolarHBondContact OE1-NZ 3.13Å; E86-L148 HydrophobicContact CB-CD1 4.2Å; E86-L148 HydrophobicContact CB-CD2 3.84Å; E86-L148 HydrophobicContact CG-CD1 3.83Å; E86-L148 HydrophobicContact CG-CD2 4.2Å
87	S	98.4	Very high	95	Very high	91 Å²	91	58.4 Å²	58.4	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-66.3	-45.2	-178.6	72.4	0	0	0	0	112.1	D85 Q91	D85-S87 PolarHBondContact O-N 2.87Å; D85-S87 PolarHBondContact OD1-OG 2.86Å; S87-Q91 WeakPolarHBondContact O-CB 3.39Å; S87-Q91 PolarHBondContact O-N 2.87Å
88	G	98.6	Very high	95.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-70.2	-37.6	178.1	0	0	0	0	0	112.6	D85 Q91 A92	D85-G88 PolarHBondContact O-N 3.17Å; D85-G88 PolarHBondContact OD1-N 3.31Å; D85-G88 VanDerWaalsContact OD2-CA 3.31Å; D85-G88 WeakPolarHBondContact OD2-CA 3.27Å; G88-Q91 PolarHBondContact O-N 3Å; G88-A92 VanDerWaalsContact O-CB 3.23Å; G88-A92 WeakPolarHBondContact O-CB 3.45Å; G88-A92 PolarHBondContact O-N 3.38Å
89	I	98.8	Very high	96	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-49.6	174.5	-69.8	159.7	0	0	0	110.1	F73 E84 D85 A92 A93 Y127 P147 L148	F73-I89 HydrophobicContact CB-CG1 4.07Å; F73-I89 HydrophobicContact CD1-CG1 3.76Å; F73-I89 HydrophobicContact CD2-CD1 4.12Å; F73-I89 HydrophobicContact CD2-CG1 3.52Å; F73-I89 HydrophobicContact CE1-CG1 4Å; F73-I89 HydrophobicContact CE2-CD1 4.1Å; F73-I89 HydrophobicContact CE2-CG1 3.77Å; F73-I89 HydrophobicContact CG-CG1 3.51Å; F73-I89 HydrophobicContact CZ-CG1 4Å; E84-I89 HydrophobicContact CB-CD1 3.99Å; D85-I89 WeakPolarHBondContact O-CB 3.44Å; D85-I89 WeakPolarHBondContact O-CD1 3.42Å; D85-I89 VanDerWaalsContact O-CG1 3.23Å; D85-I89 WeakPolarHBondContact O-CG1 3.25Å; D85-I89 PolarHBondContact O-N 3.03Å; I89-A92 PolarHBondContact O-N 3.31Å; I89-A93 WeakPolarHBondContact O-CB 3.27Å; I89-A93 PolarHBondContact O-N 2.82Å; I89-Y127 HydrophobicContact CG2-CD1 3.75Å; I89-Y127 HydrophobicContact CG2-CD2 4.14Å; I89-Y127 HydrophobicContact CG2-CE1 3.95Å; I89-Y127 HydrophobicContact CG2-CE2 4.34Å; I89-Y127 HydrophobicContact CG2-CG 3.85Å; I89-P147 HydrophobicContact CD1-CB 3.99Å; I89-P147 HydrophobicContact CG2-CG 4.38Å; I89-L148 HydrophobicContact CB-CD1 4.31Å; I89-L148 HydrophobicContact CD1-CD1 4.32Å; I89-L148 HydrophobicContact CD1-CD2 4.13Å; I89-L148 HydrophobicContact CD1-CG 3.98Å; I89-L148 HydrophobicContact CG2-CD1 4.02Å
90	K	98.8	Very high	96.5	Very high	92 Å²	92	54.4 Å²	54.4	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-46	177.6	-76.5	174.8	173.9	176	0	111.8	E86 A92 A93 E94 Y127	E86-K90 HydrophobicContact CG-CD 4.1Å; E86-K90 WeakPolarHBondContact O-CB 3.26Å; E86-K90 WeakPolarHBondContact O-CG 3.39Å; E86-K90 PolarHBondContact O-N 3.5Å; E86-K90 WeakPolarHBondContact OE1-CE 3.38Å; E86-K90 IonicContact OE1-NZ 2.62Å; E86-K90 PolarHBondContact OE1-NZ 3.13Å; K90-A92 PolarHBondContact O-N 3.05Å; K90-A93 PolarHBondContact O-N 2.91Å; K90-E94 PolarHBondContact O-N 2.86Å; K90-Y127 WeakPolarHBondContact CE-OH 3.11Å; K90-Y127 HydrophobicContact CG-CE1 4.26Å; K90-Y127 WeakPolarHBondContact CG-OH 3.38Å
91	Q	98.7	Very high	97.5	Very high	113 Å²	113	55.1 Å²	55.1	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-45.7	177.6	-175.1	-176.3	30.5	0	0	111.8	S87 G88 A93 E94 N95	S87-Q91 WeakPolarHBondContact O-CB 3.39Å; S87-Q91 PolarHBondContact O-N 2.87Å; G88-Q91 PolarHBondContact O-N 3Å; Q91-A93 VanDerWaalsContact C-N 3.31Å; Q91-A93 PolarHBondContact O-N 2.99Å; Q91-E94 PolarHBondContact O-N 3.2Å; Q91-N95 PolarHBondContact O-N 2.85Å; Q91-N95 VanDerWaalsContact O-N 3.13Å; Q91-N95 PolarHBondContact O-ND2 3.5Å
92	A	98.7	Very high	98.1	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-40.3	177.9	0	0	0	0	0	111	W72 G88 I89 K90 E94 N95 I96 L124	W72-A92 HydrophobicContact CB-CB 4.49Å; G88-A92 VanDerWaalsContact O-CB 3.23Å; G88-A92 WeakPolarHBondContact O-CB 3.45Å; G88-A92 PolarHBondContact O-N 3.38Å; I89-A92 PolarHBondContact O-N 3.31Å; K90-A92 PolarHBondContact O-N 3.05Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.96Å; A92-N95 WeakPolarHBondContact O-CB 3.48Å; A92-N95 PolarHBondContact O-N 2.78Å; A92-N95 VanDerWaalsContact O-N 3.13Å; A92-I96 WeakPolarHBondContact O-CG1 3.29Å; A92-I96 PolarHBondContact O-N 3.32Å; A92-L124 HydrophobicContact CB-CD1 3.84Å; A92-L124 HydrophobicContact CB-CD2 3.66Å; A92-L124 HydrophobicContact CB-CG 4.45Å
93	A	98.9	Very high	98.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-40.4	177.2	0	0	0	0	0	112.2	I89 K90 Q91 N95 I96 K97 L124 Y127 T128	I89-A93 WeakPolarHBondContact O-CB 3.27Å; I89-A93 PolarHBondContact O-N 2.82Å; K90-A93 PolarHBondContact O-N 2.91Å; Q91-A93 VanDerWaalsContact C-N 3.31Å; Q91-A93 PolarHBondContact O-N 2.99Å; A93-N95 VanDerWaalsContact C-N 3.33Å; A93-N95 PolarHBondContact O-N 2.85Å; A93-I96 PolarHBondContact O-N 3.3Å; A93-K97 VanDerWaalsContact O-CG 3.29Å; A93-K97 WeakPolarHBondContact O-CG 3.37Å; A93-K97 PolarHBondContact O-N 2.87Å; A93-L124 HydrophobicContact CB-CD1 4.13Å; A93-Y127 HydrophobicContact CB-CD1 3.73Å; A93-Y127 HydrophobicContact CB-CE1 3.96Å; A93-T128 WeakPolarHBondContact CA-OG1 3.41Å; A93-T128 WeakPolarHBondContact CB-OG1 3.49Å
94	E	98.8	Very high	98.6	Very high	106 Å²	106	47.6 Å²	47.6	50%	0.495	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-38.1	173.7	-66.1	-50.1	126.1	0	0	112.3	K90 Q91 A92 I96 K97 A98	K90-E94 PolarHBondContact O-N 2.86Å; Q91-E94 PolarHBondContact O-N 3.2Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.96Å; E94-I96 VanDerWaalsContact C-N 3.34Å; E94-I96 PolarHBondContact O-N 3.2Å; E94-K97 PolarHBondContact O-N 2.95Å; E94-K97 WeakPolarHBondContact OE1-CE 3.44Å; E94-K97 IonicContact OE1-NZ 2.68Å; E94-K97 PolarHBondContact OE1-NZ 2.72Å; E94-A98 PolarHBondContact O-N 2.87Å
95	N	98.4	Very high	98.6	Very high	79 Å²	79	52.6 Å²	52.6	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-39.7	174.7	-65.5	-29.5	0	0	0	111.8	Q91 A92 A93 A98 L99	Q91-N95 PolarHBondContact O-N 2.85Å; Q91-N95 VanDerWaalsContact O-N 3.13Å; Q91-N95 PolarHBondContact O-ND2 3.5Å; A92-N95 WeakPolarHBondContact O-CB 3.48Å; A92-N95 PolarHBondContact O-N 2.78Å; A92-N95 VanDerWaalsContact O-N 3.13Å; A93-N95 VanDerWaalsContact C-N 3.33Å; A93-N95 PolarHBondContact O-N 2.85Å; N95-A98 PolarHBondContact O-N 3.25Å; N95-L99 PolarHBondContact O-N 3.13Å
96	I	98.8	Very high	98.6	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-69	-39.8	175.7	-58.9	-48.6	0	0	0	111.2	L27 W72 A92 A93 E94 A98 L99 I100 L115 L124 T128	L27-I96 HydrophobicContact CD1-CD1 3.96Å; L27-I96 HydrophobicContact CD1-CG1 3.87Å; L27-I96 HydrophobicContact CD2-CD1 3.64Å; L27-I96 HydrophobicContact CD2-CG1 4.43Å; L27-I96 HydrophobicContact CG-CD1 4.48Å; W72-I96 HydrophobicContact CZ3-CD1 4.13Å; A92-I96 WeakPolarHBondContact O-CG1 3.29Å; A92-I96 PolarHBondContact O-N 3.32Å; A93-I96 PolarHBondContact O-N 3.3Å; E94-I96 VanDerWaalsContact C-N 3.34Å; E94-I96 PolarHBondContact O-N 3.2Å; I96-A98 VanDerWaalsContact C-N 3.28Å; I96-A98 PolarHBondContact O-N 2.93Å; I96-L99 WeakPolarHBondContact O-CB 3.42Å; I96-L99 PolarHBondContact O-N 2.92Å; I96-L99 VanDerWaalsContact O-N 3.09Å; I96-I100 HydrophobicContact CG2-CD1 4.23Å; I96-I100 WeakPolarHBondContact O-CG1 3.27Å; I96-I100 PolarHBondContact O-N 3.1Å; I96-L115 HydrophobicContact CG2-CD1 3.66Å; I96-L115 HydrophobicContact CG2-CD2 3.96Å; I96-L115 HydrophobicContact CG2-CG 4.5Å; I96-L124 HydrophobicContact CG1-CD2 3.96Å; I96-L124 HydrophobicContact CG1-CG 4.28Å; I96-T128 HydrophobicContact CB-CG2 4.02Å; I96-T128 HydrophobicContact CG2-CG2 3.87Å
97	K	98.8	Very high	98.6	Very high	27 Å²	27	55.5 Å²	55.5	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-42	172.1	-70.8	170.9	-163.7	174.3	0	111.6	A93 E94 L99 I100 D101 T128 Q134	A93-K97 VanDerWaalsContact O-CG 3.29Å; A93-K97 WeakPolarHBondContact O-CG 3.37Å; A93-K97 PolarHBondContact O-N 2.87Å; E94-K97 PolarHBondContact O-N 2.95Å; E94-K97 WeakPolarHBondContact OE1-CE 3.44Å; E94-K97 IonicContact OE1-NZ 2.68Å; E94-K97 PolarHBondContact OE1-NZ 2.72Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 3.08Å; K97-I100 PolarHBondContact O-N 2.87Å; K97-D101 PolarHBondContact O-N 3.4Å; K97-T128 HydrophobicContact CG-CG2 3.92Å; K97-Q134 PolarHBondContact O-NE2 3.08Å
98	A	98.5	Very high	98.6	Very high	43 Å²	43	51.5 Å²	51.5	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-34.4	175.7	0	0	0	0	0	112.8	E94 N95 I96 D101 Q102	E94-A98 PolarHBondContact O-N 2.87Å; N95-A98 PolarHBondContact O-N 3.25Å; I96-A98 VanDerWaalsContact C-N 3.28Å; I96-A98 PolarHBondContact O-N 2.93Å; A98-D101 PolarHBondContact O-N 3.46Å; A98-Q102 WeakPolarHBondContact O-CG 3.45Å; A98-Q102 PolarHBondContact O-N 2.79Å
99	L	98.6	Very high	98.6	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-39.6	173.4	-178.3	60.7	0	0	0	111.7	I25 I52 P54 N95 I96 K97 D101 Q102 E103	I25-L99 HydrophobicContact CD1-CD2 4.37Å; I25-L99 HydrophobicContact CD1-CG 4.12Å; I25-L99 HydrophobicContact CG2-CD2 3.8Å; I52-L99 HydrophobicContact CG2-CD2 4.47Å; P54-L99 HydrophobicContact CB-CD2 4.18Å; P54-L99 HydrophobicContact CG-CD2 3.98Å; N95-L99 PolarHBondContact O-N 3.13Å; I96-L99 WeakPolarHBondContact O-CB 3.42Å; I96-L99 PolarHBondContact O-N 2.92Å; I96-L99 VanDerWaalsContact O-N 3.09Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 3.08Å; L99-D101 VanDerWaalsContact C-N 3.33Å; L99-Q102 WeakPolarHBondContact O-CB 3.48Å; L99-Q102 PolarHBondContact O-N 3.13Å; L99-E103 PolarHBondContact O-N 2.89Å
100	I	98.8	Very high	98.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-45.2	172.7	-60.8	160.3	0	0	0	109.7	I25 I96 K97 Q102 E103 V104 I113 T128 L136	I25-I100 HydrophobicContact CD1-CG1 3.77Å; I96-I100 HydrophobicContact CG2-CD1 4.23Å; I96-I100 WeakPolarHBondContact O-CG1 3.27Å; I96-I100 PolarHBondContact O-N 3.1Å; K97-I100 PolarHBondContact O-N 2.87Å; I100-Q102 PolarHBondContact O-N 2.84Å; I100-E103 PolarHBondContact O-N 3.26Å; I100-E103 VanDerWaalsContact O-N 3.12Å; I100-V104 HydrophobicContact CG2-CG2 4.41Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 2.68Å; I100-I113 HydrophobicContact CG2-CD1 3.88Å; I100-T128 HydrophobicContact CD1-CG2 4.47Å; I100-L136 HydrophobicContact CD1-CD1 4.37Å; I100-L136 HydrophobicContact CD1-CD2 4.2Å; I100-L136 HydrophobicContact CG2-CD2 4.04Å
101	D	98.7	Very high	98.6	Very high	64 Å²	64	55.4 Å²	55.4	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-33.7	177.2	-73.6	-24.6	0	0	0	112.8	K97 A98 L99 V104 K105 Q134	K97-D101 PolarHBondContact O-N 3.4Å; A98-D101 PolarHBondContact O-N 3.46Å; L99-D101 VanDerWaalsContact C-N 3.33Å; D101-V104 PolarHBondContact O-N 2.98Å; D101-K105 WeakPolarHBondContact O-CB 3.41Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.31Å; D101-K105 PolarHBondContact O-N 2.85Å; D101-Q134 PolarHBondContact OD1-NE2 3.38Å; D101-Q134 VanDerWaalsContact OD1-NE2 3.09Å; D101-Q134 PolarHBondContact OD1-OE1 2.8Å; D101-Q134 VanDerWaalsContact OD1-OE1 3.1Å
102	Q	98.6	Very high	98.6	Very high	104 Å²	104	51 Å²	51	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-44.7	175.4	-72.7	170.7	32.9	0	0	111.4	A98 L99 I100 V104 K105 N106	A98-Q102 WeakPolarHBondContact O-CG 3.45Å; A98-Q102 PolarHBondContact O-N 2.79Å; L99-Q102 WeakPolarHBondContact O-CB 3.48Å; L99-Q102 PolarHBondContact O-N 3.13Å; I100-Q102 PolarHBondContact O-N 2.84Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; Q102-V104 PolarHBondContact O-N 3.5Å; Q102-K105 PolarHBondContact O-N 2.88Å; Q102-N106 WeakPolarHBondContact O-CB 3.39Å; Q102-N106 PolarHBondContact O-N 3.5Å; Q102-N106 PolarHBondContact O-ND2 3.04Å
103	E	98.7	Very high	98.6	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-36.7	176.8	-62.8	-57.7	122.8	0	0	111.8	K50 I52 L99 I100 N106 G107 I108 I113	K50-E103 IonicContact NZ-OE1 2.85Å; K50-E103 PolarHBondContact NZ-OE1 3.42Å; K50-E103 IonicContact NZ-OE2 2.78Å; K50-E103 PolarHBondContact NZ-OE2 3.4Å; I52-E103 HydrophobicContact CD1-CG 3.65Å; I52-E103 WeakPolarHBondContact CD1-OE1 3.22Å; I52-E103 WeakPolarHBondContact CD1-OE2 3.44Å; L99-E103 PolarHBondContact O-N 2.89Å; I100-E103 PolarHBondContact O-N 3.26Å; I100-E103 VanDerWaalsContact O-N 3.12Å; E103-N106 CarbonylContact O-C 3.57Å; E103-N106 PolarHBondContact O-N 3.15Å; E103-G107 PolarHBondContact O-N 2.71Å; E103-I108 PolarHBondContact O-N 3.35Å; E103-I113 HydrophobicContact CB-CD1 3.75Å
104	V	98.8	Very high	98.6	Very high	56 Å²	56	50.8 Å²	50.8	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-48.3	172.4	173.9	0	0	0	0	111.3	I100 D101 Q102 N106 G107 I108 I113	I100-V104 HydrophobicContact CG2-CG2 4.41Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 2.68Å; D101-V104 PolarHBondContact O-N 2.98Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; Q102-V104 PolarHBondContact O-N 3.5Å; V104-N106 PolarHBondContact O-N 3.45Å; V104-G107 PolarHBondContact O-N 3.48Å; V104-I108 VanDerWaalsContact CA-O 3.23Å; V104-I108 WeakPolarHBondContact CA-O 3.33Å; V104-I108 PolarHBondContact N-O 3.39Å; V104-I113 HydrophobicContact CG2-CD1 4.33Å
105	K	98.6	Very high	98.7	Very high	170 Å²	170	45.8 Å²	45.8	74%	0.739	26%	0.257	S	S	*	.	H	α-helix	trans	-63.2	-30.9	176	-73.9	168	-176.1	170.1	0	112.6	D101 Q102 G107	D101-K105 WeakPolarHBondContact O-CB 3.41Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.31Å; D101-K105 PolarHBondContact O-N 2.85Å; Q102-K105 PolarHBondContact O-N 2.88Å; K105-G107 PolarHBondContact O-N 3.17Å
106	N	98	Very high	98.7	Very high	122 Å²	122	42 Å²	42	65%	0.652	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	3	175.1	-67.5	-23	0	0	0	113.3	Q102 E103 V104	Q102-N106 WeakPolarHBondContact O-CB 3.39Å; Q102-N106 PolarHBondContact O-N 3.5Å; Q102-N106 PolarHBondContact O-ND2 3.04Å; E103-N106 CarbonylContact O-C 3.57Å; E103-N106 PolarHBondContact O-N 3.15Å; V104-N106 PolarHBondContact O-N 3.45Å
107	G	98.1	Very high	98.7	Very high	58 Å²	58	41.8 Å²	41.8	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.6	11.3	170.1	0	0	0	0	0	115.5	E103 V104 K105 P109	E103-G107 PolarHBondContact O-N 2.71Å; V104-G107 PolarHBondContact O-N 3.48Å; K105-G107 PolarHBondContact O-N 3.17Å; G107-P109 WeakPolarHBondContact O-CD 3.23Å
108	I	98.7	Very high	98.7	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	23%	0.234	C	C	.	.			trans	-101.4	103.7	171.6	-58.9	177.1	0	0	0	108.5	A20 A23 E103 V104 R112 I113	A20-I108 HydrophobicContact CB-CD1 4.01Å; A23-I108 HydrophobicContact CB-CD1 4.07Å; A23-I108 HydrophobicContact CB-CG2 4.31Å; E103-I108 PolarHBondContact O-N 3.35Å; V104-I108 VanDerWaalsContact CA-O 3.23Å; V104-I108 WeakPolarHBondContact CA-O 3.33Å; V104-I108 PolarHBondContact N-O 3.39Å; I108-R112 HydrophobicContact CG2-CB 4.08Å; I108-I113 HydrophobicContact CG2-CD1 4.36Å; I108-I113 HydrophobicContact CG2-CG1 3.9Å
109	P	98.6	Very high	98.7	Very high	67 Å²	67	39.8 Å²	39.8	44%	0.435	22%	0.221	S	C	.	.			trans	-55.5	146.8	179.5	-26.3	36.4	0	0	0	112.4	G107 N111 R112	G107-P109 WeakPolarHBondContact O-CD 3.23Å; P109-N111 VanDerWaalsContact CB-OD1 3.23Å; P109-N111 WeakPolarHBondContact CB-OD1 3.45Å; P109-N111 PolarHBondContact O-N 2.99Å; P109-N111 VanDerWaalsContact O-N 3.14Å; P109-R112 WeakPolarHBondContact O-CA 3.23Å; P109-R112 WeakPolarHBondContact O-CB 3.3Å; P109-R112 PolarHBondContact O-N 2.95Å
110	S	98.8	Very high	98.7	Very high	24 Å²	24	38.9 Å²	38.9	17%	0.168	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-60.6	-30.9	-175.1	66.3	0	0	0	0	113.1	R112 I113 K135 L136	S110-R112 PolarHBondContact O-N 3.05Å; S110-R112 VanDerWaalsContact O-N 3.11Å; S110-I113 WeakPolarHBondContact O-CB 3.4Å; S110-I113 PolarHBondContact O-N 3.18Å; S110-K135 CarbonylContact C-O 3.48Å; S110-K135 VanDerWaalsContact CB-O 3.26Å; S110-K135 WeakPolarHBondContact CB-O 3.12Å; S110-K135 PolarHBondContact OG-O 3.21Å; S110-L136 WeakPolarHBondContact O-CA 3.36Å
111	N	98.8	Very high	98.7	Very high	83 Å²	83	38.9 Å²	38.9	44%	0.444	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-72.5	2	175.4	71.6	-23.9	0	0	0	113.5	P109 K135 A137	P109-N111 VanDerWaalsContact CB-OD1 3.23Å; P109-N111 WeakPolarHBondContact CB-OD1 3.45Å; P109-N111 PolarHBondContact O-N 2.99Å; P109-N111 VanDerWaalsContact O-N 3.14Å; N111-K135 WeakPolarHBondContact CA-O 3.48Å; N111-K135 PolarHBondContact N-O 3.03Å; N111-A137 WeakPolarHBondContact O-CB 3.45Å
112	R	98.8	Very high	98.7	Very high	22 Å²	22	35.8 Å²	35.8	8%	0.083	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-112.6	16	169.7	-65.3	-72.4	-66.1	-179	-4.4	111.8	T21 A22 A23 I108 P109 S110 L226 P227 I229	T21-R112 WeakPolarHBondContact O-CB 3.23Å; T21-R112 PolarHBondContact O-NE 3.1Å; T21-R112 PolarHBondContact OG1-NH2 3.01Å; A22-R112 CarbonylContact C-O 2.95Å; A22-R112 VanDerWaalsContact CA-O 3.25Å; A22-R112 WeakPolarHBondContact CA-O 3.34Å; A22-R112 HydrophobicContact CB-CB 4.36Å; A22-R112 WeakPolarHBondContact CB-O 3.41Å; A23-R112 PolarHBondContact N-O 3.27Å; I108-R112 HydrophobicContact CG2-CB 4.08Å; P109-R112 WeakPolarHBondContact O-CA 3.23Å; P109-R112 WeakPolarHBondContact O-CB 3.3Å; P109-R112 PolarHBondContact O-N 2.95Å; S110-R112 PolarHBondContact O-N 3.05Å; S110-R112 VanDerWaalsContact O-N 3.11Å; R112-L226 HydrophobicContact CB-CD2 4.43Å; R112-L226 WeakPolarHBondContact O-CD2 3.2Å; R112-P227 VanDerWaalsContact CZ-O 3.25Å; R112-P227 PolarHBondContact NH1-O 3.14Å; R112-P227 PolarHBondContact NH2-O 2.78Å; R112-I229 VanDerWaalsContact CZ-CD1 3.47Å
113	I	98.9	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.1	178	-56.4	-179.6	0	0	0	108.9	A23 I25 I100 E103 V104 I108 S110 L136 A137	A23-I113 HydrophobicContact CB-CG1 4.3Å; A23-I113 VanDerWaalsContact O-CA 3.31Å; A23-I113 WeakPolarHBondContact O-CA 3.48Å; I25-I113 HydrophobicContact CD1-CG2 3.96Å; I25-I113 HydrophobicContact CG1-CG2 4.28Å; I100-I113 HydrophobicContact CG2-CD1 3.88Å; E103-I113 HydrophobicContact CB-CD1 3.75Å; V104-I113 HydrophobicContact CG2-CD1 4.33Å; I108-I113 HydrophobicContact CG2-CD1 4.36Å; I108-I113 HydrophobicContact CG2-CG1 3.9Å; S110-I113 WeakPolarHBondContact O-CB 3.4Å; S110-I113 PolarHBondContact O-N 3.18Å; I113-L136 HydrophobicContact CB-CD2 4.18Å; I113-L136 HydrophobicContact CG2-CD2 4.36Å; I113-A137 WeakPolarHBondContact O-CB 3.48Å; I113-A137 PolarHBondContact O-N 2.87Å
114	I	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.9	163.9	-72.5	172.8	0	0	0	107.8	A23 V24 I25 A137 G138 T140 F221 I222 L225 L226	A23-I114 PolarHBondContact O-N 3.25Å; V24-I114 WeakPolarHBondContact CA-O 3.47Å; V24-I114 HydrophobicContact CG2-CB 4.31Å; I25-I114 PolarHBondContact N-O 3.01Å; I114-A137 HydrophobicContact CG1-CB 3.88Å; I114-G138 WeakPolarHBondContact CA-O 3.16Å; I114-T140 HydrophobicContact CG2-CG2 4.34Å; I114-F221 HydrophobicContact CD1-CD1 4.38Å; I114-F221 HydrophobicContact CD1-CE1 4.29Å; I114-I222 HydrophobicContact CD1-CB 4.24Å; I114-I222 HydrophobicContact CD1-CG1 3.89Å; I114-I222 HydrophobicContact CD1-CG2 4.44Å; I114-L225 HydrophobicContact CD1-CB 4.13Å; I114-L225 HydrophobicContact CD1-CD1 4.21Å; I114-L226 HydrophobicContact CB-CD1 4.35Å; I114-L226 HydrophobicContact CD1-CD1 3.71Å; I114-L226 HydrophobicContact CD1-CG 3.87Å; I114-L226 HydrophobicContact CG1-CD1 3.85Å; I114-L226 HydrophobicContact CG1-CG 4.17Å
115	L	98.9	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.4	170.5	-175.4	62	0	0	0	108.5	I25 I96 S125 T128 L136 G138 V139 T140	I25-L115 HydrophobicContact CB-CD1 3.86Å; I25-L115 HydrophobicContact CG2-CD1 3.75Å; I25-L115 CarbonylContact O-C 3.54Å; I25-L115 WeakPolarHBondContact O-CA 3.48Å; I96-L115 HydrophobicContact CG2-CD1 3.66Å; I96-L115 HydrophobicContact CG2-CD2 3.96Å; I96-L115 HydrophobicContact CG2-CG 4.5Å; L115-S125 WeakPolarHBondContact CD2-O 3.36Å; L115-S125 WeakPolarHBondContact CG-OG 3.38Å; L115-T128 HydrophobicContact CD2-CG2 3.88Å; L115-L136 HydrophobicContact CB-CD1 4.11Å; L115-L136 HydrophobicContact CD2-CD1 4.44Å; L115-G138 PolarHBondContact N-O 2.98Å; L115-G138 VanDerWaalsContact N-O 3.13Å; L115-V139 WeakPolarHBondContact O-CA 3.49Å; L115-V139 WeakPolarHBondContact O-CG1 3.39Å; L115-T140 PolarHBondContact O-N 3.48Å; L115-T140 VanDerWaalsContact O-N 3.13Å
116	G	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	171.1	-177.5	0	0	0	0	0	112.1	I25 F26 L27 S125 T140	I25-G116 PolarHBondContact O-N 3.17Å; F26-G116 CarbonylContact C-O 3.43Å; F26-G116 WeakPolarHBondContact CA-O 3.41Å; L27-G116 PolarHBondContact N-O 3.32Å; G116-S125 PolarHBondContact O-OG 2.87Å; G116-T140 CarbonylContact C-O 3.5Å; G116-T140 WeakPolarHBondContact CA-O 3.28Å; G116-T140 WeakPolarHBondContact CA-OG1 3.24Å
117	G	98.9	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	169.7	173.3	0	0	0	0	0	113.5	F26 L27 G122 T140 L142	F26-G117 VanDerWaalsContact CZ-CA 3.46Å; L27-G117 CarbonylContact O-C 3.56Å; L27-G117 WeakPolarHBondContact O-CA 3.23Å; G117-G122 VanDerWaalsContact C-N 3.26Å; G117-G122 VanDerWaalsContact O-CA 3.29Å; G117-G122 WeakPolarHBondContact O-CA 3.13Å; G117-T140 PolarHBondContact N-O 3.39Å; G117-L142 PolarHBondContact O-N 3Å
118	F	98.9	Very high	98.8	Very high	17 Å²	17	11.9 Å²	11.9	8%	0.075	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.1	177.8	176.6	-97.4	0	0	0	110.8	F26 L27 G29 W37 Q120 G121 G122 L142 H208	F26-F118 HydrophobicContact CE1-CB 4.11Å; F26-F118 HydrophobicContact CZ-CB 4.1Å; L27-F118 PolarHBondContact O-N 3.47Å; G29-F118 WeakPolarHBondContact CA-O 3.48Å; G29-F118 PolarHBondContact N-O 3.48Å; W37-F118 HydrophobicContact CH2-CB 3.81Å; W37-F118 AromaticContact CH2-CD2 3.82Å; W37-F118 HydrophobicContact CH2-CD2 3.82Å; W37-F118 AromaticContact CH2-CG 3.94Å; W37-F118 HydrophobicContact CH2-CG 3.94Å; W37-F118 HydrophobicContact CZ2-CB 3.27Å; W37-F118 AromaticContact CZ2-CD1 3.95Å; W37-F118 HydrophobicContact CZ2-CD1 3.95Å; W37-F118 AromaticContact CZ2-CD2 3.66Å; W37-F118 HydrophobicContact CZ2-CD2 3.66Å; W37-F118 HydrophobicContact CZ2-CE2 4.48Å; W37-F118 AromaticContact CZ2-CG 3.35Å; W37-F118 HydrophobicContact CZ2-CG 3.35Å; F118-Q120 PolarHBondContact O-N 2.81Å; F118-G121 WeakPolarHBondContact O-CA 3.45Å; F118-G121 PolarHBondContact O-N 3.21Å; F118-G122 PolarHBondContact O-N 3.43Å; F118-L142 CarbonylContact C-O 3.38Å; F118-L142 WeakPolarHBondContact CA-O 3.44Å; F118-L142 HydrophobicContact CD2-CB 4.05Å; F118-H208 AromaticContact CE1-CD2 3.86Å; F118-H208 AromaticContact CE1-CE1 3.99Å; F118-H208 AromaticContact CE1-NE2 3.5Å; F118-H208 WeakPolarHBondContact CE1-NE2 3.47Å; F118-H208 AromaticContact CZ-CD2 3.73Å; F118-H208 AromaticContact CZ-CE1 3.73Å; F118-H208 AromaticContact CZ-CG 3.96Å; F118-H208 AromaticContact CZ-ND1 3.95Å; F118-H208 AromaticContact CZ-NE2 3.61Å
119	S	98.4	Very high	98.8	Very high	11 Å²	11	11.6 Å²	11.6	8%	0.077	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-122.6	176.3	-171.4	0	0	0	0	111.3	G121 G122 A123 L142 S143 C144 H208	S119-G121 PolarHBondContact O-N 2.98Å; S119-G122 WeakPolarHBondContact O-CA 3.39Å; S119-G122 PolarHBondContact O-N 3.26Å; S119-A123 PolarHBondContact O-N 2.98Å; S119-L142 PolarHBondContact N-O 3.34Å; S119-S143 WeakPolarHBondContact CA-O 3.36Å; S119-C144 WeakPolarHBondContact O-CB 3.4Å; S119-H208 WeakPolarHBondContact CB-NE2 3.23Å; S119-H208 PolarHBondContact OG-CE1 3.26Å; S119-H208 VanDerWaalsContact OG-CE1 3.31Å; S119-H208 PolarHBondContact OG-NE2 2.63Å; S119-H208 VanDerWaalsContact OG-NE2 3.08Å
120	Q	98.4	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-51.9	-39.7	174.8	-168.5	-171.4	51.6	0	0	113.5	S71 F73 I75 F118 A123 L124 W145	S71-Q120 PolarHBondContact OG-NE2 3.48Å; S71-Q120 PolarHBondContact OG-OE1 3.05Å; F73-Q120 HydrophobicContact CD1-CG 4.19Å; F73-Q120 HydrophobicContact CD2-CG 4.43Å; F73-Q120 HydrophobicContact CE1-CG 3.54Å; F73-Q120 HydrophobicContact CE2-CG 3.82Å; F73-Q120 HydrophobicContact CZ-CG 3.33Å; F73-Q120 PolarHBondContact O-NE2 3.05Å; I75-Q120 HydrophobicContact CD1-CB 4.19Å; I75-Q120 HydrophobicContact CD1-CG 4.05Å; I75-Q120 VanDerWaalsContact CG1-NE2 3.34Å; F118-Q120 PolarHBondContact O-N 2.81Å; Q120-A123 WeakPolarHBondContact O-CB 3.38Å; Q120-A123 PolarHBondContact O-N 3.12Å; Q120-L124 PolarHBondContact O-N 2.82Å; Q120-W145 HydrophobicContact CB-CH2 4.4Å
121	G	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.7	-36.8	177.2	0	0	0	0	0	112.5	H28 F118 S119 L124 S125	H28-G121 WeakPolarHBondContact O-CA 3.31Å; H28-G121 PolarHBondContact O-N 2.64Å; F118-G121 WeakPolarHBondContact O-CA 3.45Å; F118-G121 PolarHBondContact O-N 3.21Å; S119-G121 PolarHBondContact O-N 2.98Å; G121-L124 PolarHBondContact O-N 3.42Å; G121-S125 WeakPolarHBondContact O-CB 3.33Å; G121-S125 PolarHBondContact O-N 2.84Å; G121-S125 PolarHBondContact O-OG 3.5Å; G121-S125 VanDerWaalsContact O-OG 3.08Å
122	G	98.9	Very high	98.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64.5	-41.5	173.6	0	0	0	0	0	111.9	G117 F118 S119 S125 L126	G117-G122 VanDerWaalsContact C-N 3.26Å; G117-G122 VanDerWaalsContact O-CA 3.29Å; G117-G122 WeakPolarHBondContact O-CA 3.13Å; F118-G122 PolarHBondContact O-N 3.43Å; S119-G122 WeakPolarHBondContact O-CA 3.39Å; S119-G122 PolarHBondContact O-N 3.26Å; G122-S125 PolarHBondContact O-N 2.95Å; G122-L126 PolarHBondContact O-N 3.18Å
123	A	98.8	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-46	174.4	0	0	0	0	0	111.8	S119 Q120 S125 L126 Y127 W145 P147	S119-A123 PolarHBondContact O-N 2.98Å; Q120-A123 WeakPolarHBondContact O-CB 3.38Å; Q120-A123 PolarHBondContact O-N 3.12Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-S125 PolarHBondContact O-N 2.85Å; A123-L126 PolarHBondContact O-N 3.43Å; A123-Y127 PolarHBondContact O-N 2.88Å; A123-W145 WeakPolarHBondContact CA-O 3.04Å; A123-W145 HydrophobicContact CB-CD2 4.01Å; A123-W145 HydrophobicContact CB-CE3 4.34Å; A123-W145 HydrophobicContact CB-CG 4.44Å; A123-W145 HydrophobicContact CB-CZ2 4.2Å; A123-W145 WeakPolarHBondContact CB-O 3.46Å; A123-P147 HydrophobicContact CB-CG 4.14Å; A123-P147 VanDerWaalsContact O-CD 3.25Å; A123-P147 WeakPolarHBondContact O-CD 3.46Å; A123-P147 WeakPolarHBondContact O-CG 3.23Å
124	L	98.9	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-39.8	175.7	-175.5	53.5	0	0	0	112.5	L27 W72 F73 A92 A93 I96 Q120 G121 Y127 T128	L27-L124 HydrophobicContact CD1-CB 3.96Å; L27-L124 HydrophobicContact CD1-CD2 3.78Å; L27-L124 HydrophobicContact CD1-CG 3.8Å; W72-L124 HydrophobicContact CB-CD2 3.75Å; W72-L124 HydrophobicContact CD2-CD2 3.92Å; W72-L124 HydrophobicContact CE3-CD2 4.02Å; W72-L124 HydrophobicContact CG-CD2 3.81Å; F73-L124 HydrophobicContact CE1-CB 4.13Å; A92-L124 HydrophobicContact CB-CD1 3.84Å; A92-L124 HydrophobicContact CB-CD2 3.66Å; A92-L124 HydrophobicContact CB-CG 4.45Å; A93-L124 HydrophobicContact CB-CD1 4.13Å; I96-L124 HydrophobicContact CG1-CD2 3.96Å; I96-L124 HydrophobicContact CG1-CG 4.28Å; Q120-L124 PolarHBondContact O-N 2.82Å; G121-L124 PolarHBondContact O-N 3.42Å; L124-Y127 PolarHBondContact O-N 2.9Å; L124-T128 VanDerWaalsContact O-CB 3.28Å; L124-T128 WeakPolarHBondContact O-CB 3.38Å; L124-T128 PolarHBondContact O-N 3.21Å; L124-T128 PolarHBondContact O-OG1 2.95Å
125	S	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.6	-43.6	178.6	-73.1	0	0	0	0	112.3	L27 L115 G116 G121 G122 A123 A129	L27-S125 VanDerWaalsContact CD1-OG 3.3Å; L27-S125 WeakPolarHBondContact CD1-OG 3.34Å; L115-S125 WeakPolarHBondContact CD2-O 3.36Å; L115-S125 WeakPolarHBondContact CG-OG 3.38Å; G116-S125 PolarHBondContact O-OG 2.87Å; G121-S125 WeakPolarHBondContact O-CB 3.33Å; G121-S125 PolarHBondContact O-N 2.84Å; G121-S125 PolarHBondContact O-OG 3.5Å; G121-S125 VanDerWaalsContact O-OG 3.08Å; G122-S125 PolarHBondContact O-N 2.95Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-S125 PolarHBondContact O-N 2.85Å; S125-A129 VanDerWaalsContact O-CB 3.31Å; S125-A129 WeakPolarHBondContact O-CB 3.46Å; S125-A129 PolarHBondContact O-N 3.41Å
126	L	98.9	Very high	98.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-52.6	172.6	-72.7	172.8	0	0	0	111.4	G122 A123 T128 A129 L130 V139 A141 L146 I166 T185 L189	G122-L126 PolarHBondContact O-N 3.18Å; A123-L126 PolarHBondContact O-N 3.43Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 3.06Å; L126-A129 PolarHBondContact O-N 2.93Å; L126-L130 WeakPolarHBondContact O-CB 3.35Å; L126-L130 VanDerWaalsContact O-CG 3.23Å; L126-L130 WeakPolarHBondContact O-CG 3.24Å; L126-L130 PolarHBondContact O-N 2.99Å; L126-V139 HydrophobicContact CD2-CG1 3.97Å; L126-A141 HydrophobicContact CD1-CB 3.96Å; L126-A141 HydrophobicContact CD2-CB 3.89Å; L126-A141 HydrophobicContact CG-CB 3.84Å; L126-L146 HydrophobicContact CB-CD1 4.13Å; L126-I166 HydrophobicContact CD2-CD1 4.41Å; L126-I166 HydrophobicContact CD2-CG2 4.17Å; L126-T185 HydrophobicContact CD1-CG2 3.85Å; L126-L189 HydrophobicContact CD2-CD1 3.94Å; L126-L189 HydrophobicContact CD2-CD2 4.13Å
127	Y	98.9	Very high	98.7	Very high	17 Å²	17	20.8 Å²	20.8	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-44.6	-178.5	-174.3	-93.2	0	0	0	112.2	I89 K90 A93 A123 L124 L130 T131 P147 L148 F152	I89-Y127 HydrophobicContact CG2-CD1 3.75Å; I89-Y127 HydrophobicContact CG2-CD2 4.14Å; I89-Y127 HydrophobicContact CG2-CE1 3.95Å; I89-Y127 HydrophobicContact CG2-CE2 4.34Å; I89-Y127 HydrophobicContact CG2-CG 3.85Å; K90-Y127 WeakPolarHBondContact CE-OH 3.11Å; K90-Y127 HydrophobicContact CG-CE1 4.26Å; K90-Y127 WeakPolarHBondContact CG-OH 3.38Å; A93-Y127 HydrophobicContact CB-CD1 3.73Å; A93-Y127 HydrophobicContact CB-CE1 3.96Å; A123-Y127 PolarHBondContact O-N 2.88Å; L124-Y127 PolarHBondContact O-N 2.9Å; Y127-L130 PolarHBondContact O-N 3.29Å; Y127-T131 HydrophobicContact CD1-CG2 4.37Å; Y127-T131 HydrophobicContact CD2-CG2 4.42Å; Y127-T131 HydrophobicContact CE1-CG2 4.06Å; Y127-T131 HydrophobicContact CE2-CG2 4.1Å; Y127-T131 WeakPolarHBondContact O-CB 3.39Å; Y127-T131 VanDerWaalsContact O-CG2 3.27Å; Y127-T131 WeakPolarHBondContact O-CG2 3.33Å; Y127-T131 PolarHBondContact O-N 3.06Å; Y127-T131 VanDerWaalsContact O-N 3.11Å; Y127-T131 PolarHBondContact O-OG1 3.38Å; Y127-P147 HydrophobicContact CD2-CG 4.23Å; Y127-P147 HydrophobicContact CG-CG 4.29Å; Y127-L148 HydrophobicContact CD2-CD1 4.45Å; Y127-L148 HydrophobicContact CE2-CB 4.23Å; Y127-L148 HydrophobicContact CE2-CD1 3.7Å; Y127-L148 HydrophobicContact CE2-CG 4.42Å; Y127-F152 AromaticContact CD2-CE2 3.88Å; Y127-F152 HydrophobicContact CD2-CE2 3.88Å; Y127-F152 AromaticContact CD2-CZ 3.78Å; Y127-F152 HydrophobicContact CD2-CZ 3.78Å; Y127-F152 HydrophobicContact CE2-CE2 4.15Å; Y127-F152 HydrophobicContact CE2-CZ 4.1Å
128	T	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-48.1	-179.7	-57.7	0	0	0	0	111.1	A93 I96 K97 I100 L115 L124 L126 L130 T131 T132	A93-T128 WeakPolarHBondContact CA-OG1 3.41Å; A93-T128 WeakPolarHBondContact CB-OG1 3.49Å; I96-T128 HydrophobicContact CB-CG2 4.02Å; I96-T128 HydrophobicContact CG2-CG2 3.87Å; K97-T128 HydrophobicContact CG-CG2 3.92Å; I100-T128 HydrophobicContact CD1-CG2 4.47Å; L115-T128 HydrophobicContact CD2-CG2 3.88Å; L124-T128 VanDerWaalsContact O-CB 3.28Å; L124-T128 WeakPolarHBondContact O-CB 3.38Å; L124-T128 PolarHBondContact O-N 3.21Å; L124-T128 PolarHBondContact O-OG1 2.95Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 3.06Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.37Å; T128-T131 PolarHBondContact O-N 3.42Å; T128-T131 PolarHBondContact O-OG1 2.99Å; T128-T132 WeakPolarHBondContact O-CB 3.18Å; T128-T132 VanDerWaalsContact O-CG2 3.26Å; T128-T132 WeakPolarHBondContact O-CG2 3.18Å; T128-T132 PolarHBondContact O-N 2.99Å
129	A	98.8	Very high	98.7	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-37.7	-179.2	0	0	0	0	0	112.5	S125 L126 T131 L136 V139 N161 I164	S125-A129 VanDerWaalsContact O-CB 3.31Å; S125-A129 WeakPolarHBondContact O-CB 3.46Å; S125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 2.93Å; A129-T131 VanDerWaalsContact C-N 3.34Å; A129-L136 HydrophobicContact CB-CD1 3.93Å; A129-V139 HydrophobicContact CB-CG2 3.46Å; A129-V139 VanDerWaalsContact CB-CG2 3.46Å; A129-N161 PolarHBondContact O-ND2 3.25Å; A129-I164 HydrophobicContact CB-CD1 4.05Å
130	L	98.8	Very high	98.8	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-78.5	-16.4	-179.4	-65.9	169.5	0	0	0	113.7	L126 Y127 T128 L146 F152 V157 L189 L192 V193	L126-L130 WeakPolarHBondContact O-CB 3.35Å; L126-L130 VanDerWaalsContact O-CG 3.23Å; L126-L130 WeakPolarHBondContact O-CG 3.24Å; L126-L130 PolarHBondContact O-N 2.99Å; Y127-L130 PolarHBondContact O-N 3.29Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.37Å; L130-L146 HydrophobicContact CD1-CD1 3.62Å; L130-F152 HydrophobicContact CB-CE1 3.65Å; L130-F152 HydrophobicContact CB-CZ 4.07Å; L130-F152 HydrophobicContact CD1-CE1 4.1Å; L130-F152 HydrophobicContact CD1-CZ 4.18Å; L130-V157 HydrophobicContact CD2-CG2 4.39Å; L130-L189 HydrophobicContact CD1-CD2 3.72Å; L130-L192 HydrophobicContact CD1-CD1 4.19Å; L130-V193 HydrophobicContact CD2-CG1 3.56Å
131	T	98.6	Very high	98.8	Very high	45 Å²	45	19.4 Å²	19.4	28%	0.276	10%	0.095	S	C	.	.	H	α-helix	trans	-110.2	-15.2	-178.4	60.5	0	0	0	0	114.1	Y127 T128 A129 F152	Y127-T131 HydrophobicContact CD1-CG2 4.37Å; Y127-T131 HydrophobicContact CD2-CG2 4.42Å; Y127-T131 HydrophobicContact CE1-CG2 4.06Å; Y127-T131 HydrophobicContact CE2-CG2 4.1Å; Y127-T131 WeakPolarHBondContact O-CB 3.39Å; Y127-T131 VanDerWaalsContact O-CG2 3.27Å; Y127-T131 WeakPolarHBondContact O-CG2 3.33Å; Y127-T131 PolarHBondContact O-N 3.06Å; Y127-T131 VanDerWaalsContact O-N 3.11Å; Y127-T131 PolarHBondContact O-OG1 3.38Å; T128-T131 PolarHBondContact O-N 3.42Å; T128-T131 PolarHBondContact O-OG1 2.99Å; A129-T131 VanDerWaalsContact C-N 3.34Å; T131-F152 HydrophobicContact CG2-CE1 4.22Å; T131-F152 HydrophobicContact CG2-CZ 4.2Å
132	T	98.5	Very high	98.8	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.049	10%	0.095	C	C	.	.			trans	-79.8	149.5	176	-169	0	0	0	0	112.5	T128 Q134 L136 N161	T128-T132 WeakPolarHBondContact O-CB 3.18Å; T128-T132 VanDerWaalsContact O-CG2 3.26Å; T128-T132 WeakPolarHBondContact O-CG2 3.18Å; T128-T132 PolarHBondContact O-N 2.99Å; T132-Q134 HydrophobicContact CG2-CB 4.27Å; T132-Q134 WeakPolarHBondContact CG2-O 3.42Å; T132-Q134 WeakPolarHBondContact OG1-CB 3.48Å; T132-Q134 PolarHBondContact OG1-N 2.92Å; T132-Q134 VanDerWaalsContact OG1-N 3.15Å; T132-L136 HydrophobicContact CG2-CD1 4.39Å; T132-N161 WeakPolarHBondContact CG2-ND2 3.43Å
133	Q	98	Very high	98.8	Very high	141 Å²	141	19.4 Å²	19.4	66%	0.659	10%	0.095	S	C	*	.	S	Bend	trans	-92.3	-0.2	167.8	-63.1	-55	-48.3	0	0	112.7	K135 A160	Q133-K135 PolarHBondContact O-N 3Å; Q133-A160 WeakPolarHBondContact O-CB 3.36Å
134	Q	98.4	Very high	98.8	Very high	33 Å²	33	19.4 Å²	19.4	15%	0.154	10%	0.095	C	C	.	.	S	Bend	trans	-73.7	115.8	170.1	-59.3	-179.2	53.9	0	0	108.6	K97 D101 T132 L136 N161	K97-Q134 PolarHBondContact O-NE2 3.08Å; D101-Q134 PolarHBondContact OD1-NE2 3.38Å; D101-Q134 VanDerWaalsContact OD1-NE2 3.09Å; D101-Q134 PolarHBondContact OD1-OE1 2.8Å; D101-Q134 VanDerWaalsContact OD1-OE1 3.1Å; T132-Q134 HydrophobicContact CG2-CB 4.27Å; T132-Q134 WeakPolarHBondContact CG2-O 3.42Å; T132-Q134 WeakPolarHBondContact OG1-CB 3.48Å; T132-Q134 PolarHBondContact OG1-N 2.92Å; T132-Q134 VanDerWaalsContact OG1-N 3.15Å; Q134-L136 PolarHBondContact O-N 2.91Å; Q134-N161 PolarHBondContact O-ND2 2.71Å
135	K	98.6	Very high	98.7	Very high	126 Å²	126	21 Å²	21	55%	0.548	10%	0.101	S	C	.	.			trans	-67.4	116.8	178.2	-176.8	175.7	-178.8	179.9	0	109.3	S110 N111 Q133 A160 N161	S110-K135 CarbonylContact C-O 3.48Å; S110-K135 VanDerWaalsContact CB-O 3.26Å; S110-K135 WeakPolarHBondContact CB-O 3.12Å; S110-K135 PolarHBondContact OG-O 3.21Å; N111-K135 WeakPolarHBondContact CA-O 3.48Å; N111-K135 PolarHBondContact N-O 3.03Å; Q133-K135 PolarHBondContact O-N 3Å; K135-A160 HydrophobicContact CB-CB 4.22Å; K135-N161 WeakPolarHBondContact CA-OD1 3.4Å
136	L	98.9	Very high	98.7	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	10%	0.102	C	C	.	.			trans	-99.2	160.4	178.5	-64.3	176.6	0	0	0	111.4	I100 S110 I113 L115 A129 T132 Q134 N161 I164	I100-L136 HydrophobicContact CD1-CD1 4.37Å; I100-L136 HydrophobicContact CD1-CD2 4.2Å; I100-L136 HydrophobicContact CG2-CD2 4.04Å; S110-L136 WeakPolarHBondContact O-CA 3.36Å; I113-L136 HydrophobicContact CB-CD2 4.18Å; I113-L136 HydrophobicContact CG2-CD2 4.36Å; L115-L136 HydrophobicContact CB-CD1 4.11Å; L115-L136 HydrophobicContact CD2-CD1 4.44Å; A129-L136 HydrophobicContact CB-CD1 3.93Å; T132-L136 HydrophobicContact CG2-CD1 4.39Å; Q134-L136 PolarHBondContact O-N 2.91Å; L136-N161 PolarHBondContact N-OD1 2.85Å; L136-I164 HydrophobicContact CB-CD1 3.84Å
137	A	98.9	Very high	98.7	Very high	15 Å²	15	21.1 Å²	21.1	12%	0.124	10%	0.102	C	C	.	.	S	Bend	trans	-73.5	-40.3	177	0	0	0	0	0	112	N111 I113 I114 L226	N111-A137 WeakPolarHBondContact O-CB 3.45Å; I113-A137 WeakPolarHBondContact O-CB 3.48Å; I113-A137 PolarHBondContact O-N 2.87Å; I114-A137 HydrophobicContact CG1-CB 3.88Å; A137-L226 HydrophobicContact CB-CD2 3.63Å
138	G	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	177.4	-178	0	0	0	0	0	113.3	I114 L115 S165	I114-G138 WeakPolarHBondContact CA-O 3.16Å; L115-G138 PolarHBondContact N-O 2.98Å; L115-G138 VanDerWaalsContact N-O 3.13Å; G138-S165 CarbonylContact C-O 3.6Å; G138-S165 WeakPolarHBondContact CA-O 3.02Å
139	V	98.9	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136	174.7	-177.6	0	0	0	0	112.1	L115 L126 A129 A141 I164 S165 I166 L167	L115-V139 WeakPolarHBondContact O-CA 3.49Å; L115-V139 WeakPolarHBondContact O-CG1 3.39Å; L126-V139 HydrophobicContact CD2-CG1 3.97Å; A129-V139 HydrophobicContact CB-CG2 3.46Å; A129-V139 VanDerWaalsContact CB-CG2 3.46Å; V139-A141 HydrophobicContact CG1-CB 4.26Å; V139-I164 HydrophobicContact CG2-CD1 3.77Å; V139-S165 PolarHBondContact N-O 3.29Å; V139-I166 HydrophobicContact CB-CG1 4.3Å; V139-I166 HydrophobicContact CB-CG2 4.34Å; V139-I166 WeakPolarHBondContact O-CA 3.46Å; V139-L167 PolarHBondContact O-N 2.92Å
140	T	98.9	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108	165.8	54.3	0	0	0	0	110.4	I114 L115 G116 G117 L167 V218 F221	I114-T140 HydrophobicContact CG2-CG2 4.34Å; L115-T140 PolarHBondContact O-N 3.48Å; L115-T140 VanDerWaalsContact O-N 3.13Å; G116-T140 CarbonylContact C-O 3.5Å; G116-T140 WeakPolarHBondContact CA-O 3.28Å; G116-T140 WeakPolarHBondContact CA-OG1 3.24Å; G117-T140 PolarHBondContact N-O 3.39Å; T140-L167 CarbonylContact C-O 3.53Å; T140-L167 WeakPolarHBondContact CA-O 3.28Å; T140-L167 HydrophobicContact CG2-CB 4.45Å; T140-V218 HydrophobicContact CG2-CG1 4.31Å; T140-F221 HydrophobicContact CG2-CD1 3.51Å; T140-F221 HydrophobicContact CG2-CE1 3.72Å
141	A	98.9	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	101.7	-172	0	0	0	0	0	110.2	L126 V139 L167 Q168 C169	L126-A141 HydrophobicContact CD1-CB 3.96Å; L126-A141 HydrophobicContact CD2-CB 3.89Å; L126-A141 HydrophobicContact CG-CB 3.84Å; V139-A141 HydrophobicContact CG1-CB 4.26Å; A141-L167 PolarHBondContact N-O 3.31Å; A141-Q168 HydrophobicContact CB-CG 4.4Å; A141-Q168 CarbonylContact O-C 3.6Å; A141-Q168 VanDerWaalsContact O-CA 3.29Å; A141-Q168 WeakPolarHBondContact O-CA 3.25Å; A141-C169 PolarHBondContact O-N 2.79Å
142	L	98.9	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.9	-170.7	-43.3	-174	0	0	0	111	F26 W37 G117 F118 S119 C144 C169 E214 V218	F26-L142 HydrophobicContact CE2-CD1 3.95Å; F26-L142 HydrophobicContact CE2-CG 4.31Å; F26-L142 HydrophobicContact CZ-CD1 3.75Å; F26-L142 HydrophobicContact CZ-CG 4.27Å; W37-L142 HydrophobicContact CH2-CD1 4.05Å; W37-L142 HydrophobicContact CZ3-CD1 3.94Å; G117-L142 PolarHBondContact O-N 3Å; F118-L142 CarbonylContact C-O 3.38Å; F118-L142 WeakPolarHBondContact CA-O 3.44Å; F118-L142 HydrophobicContact CD2-CB 4.05Å; S119-L142 PolarHBondContact N-O 3.34Å; L142-C144 VanDerWaalsContact C-N 3.3Å; L142-C144 PolarHBondContact O-N 2.96Å; L142-C169 HydrophobicContact CD2-CB 3.62Å; L142-E214 HydrophobicContact CD2-CG 4.48Å; L142-V218 HydrophobicContact CD2-CG2 3.9Å
143	S	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	44.8	49.9	175.4	-58.7	0	0	0	0	113.6	S119 C169	S119-S143 WeakPolarHBondContact CA-O 3.36Å; S143-C169 PolarHBondContact N-O 3.32Å
144	C	98.6	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.			trans	-134.1	-173.6	-171	73.4	0	0	0	0	113.2	S119 L142	S119-C144 WeakPolarHBondContact O-CB 3.4Å; L142-C144 VanDerWaalsContact C-N 3.3Å; L142-C144 PolarHBondContact O-N 2.96Å
145	W	98.4	Very high	97.4	Very high	32 Å²	32	35.7 Å²	35.7	12%	0.121	20%	0.199	C	C	.	.			trans	-132.3	164.5	176.8	67.4	102	0	0	0	111.2	F73 E84 Q120 A123 P147 V177 F181 T185	F73-W145 HydrophobicContact CE2-CZ2 4.44Å; F73-W145 HydrophobicContact CZ-CZ2 4.42Å; E84-W145 PolarHBondContact OE1-NE1 2.79Å; Q120-W145 HydrophobicContact CB-CH2 4.4Å; A123-W145 WeakPolarHBondContact CA-O 3.04Å; A123-W145 HydrophobicContact CB-CD2 4.01Å; A123-W145 HydrophobicContact CB-CE3 4.34Å; A123-W145 HydrophobicContact CB-CG 4.44Å; A123-W145 HydrophobicContact CB-CZ2 4.2Å; A123-W145 WeakPolarHBondContact CB-O 3.46Å; W145-P147 WeakPolarHBondContact O-CD 3.18Å; W145-V177 HydrophobicContact CE3-CG1 4.25Å; W145-V177 HydrophobicContact CE3-CG2 4.27Å; W145-V177 HydrophobicContact CZ3-CG2 4.12Å; W145-F181 HydrophobicContact CB-CB 4.44Å; W145-T185 WeakPolarHBondContact CA-OG1 3.46Å
146	L	98.4	Very high	97.1	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	21%	0.205	C	C	.	.			trans	-83.4	112	165.9	177.9	67.5	0	0	0	109.5	L126 L130 F152 T185 K188 L192	L126-L146 HydrophobicContact CB-CD1 4.13Å; L130-L146 HydrophobicContact CD1-CD1 3.62Å; L146-F152 HydrophobicContact CD1-CD2 4.33Å; L146-F152 HydrophobicContact CD1-CE2 3.69Å; L146-F152 HydrophobicContact CD1-CZ 4.02Å; L146-F152 HydrophobicContact CD2-CD2 3.93Å; L146-F152 HydrophobicContact CD2-CE2 4.15Å; L146-F152 HydrophobicContact CD2-CG 4.47Å; L146-F152 HydrophobicContact CG-CD2 4.21Å; L146-F152 HydrophobicContact CG-CE2 3.99Å; L146-T185 HydrophobicContact CB-CG2 3.87Å; L146-T185 PolarHBondContact N-OG1 2.97Å; L146-K188 HydrophobicContact CD2-CB 4.37Å; L146-K188 HydrophobicContact CD2-CG 3.72Å; L146-L192 HydrophobicContact CD2-CD1 3.8Å
147	P	98.1	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	155.4	-179.9	34.6	-35.8	0	0	0	110.5	E84 I89 A123 Y127 W145 R149	E84-P147 VanDerWaalsContact OE1-CA 3.24Å; E84-P147 WeakPolarHBondContact OE1-CA 3.4Å; E84-P147 VanDerWaalsContact OE1-CB 3.28Å; E84-P147 WeakPolarHBondContact OE1-CB 3.18Å; I89-P147 HydrophobicContact CD1-CB 3.99Å; I89-P147 HydrophobicContact CG2-CG 4.38Å; A123-P147 HydrophobicContact CB-CG 4.14Å; A123-P147 VanDerWaalsContact O-CD 3.25Å; A123-P147 WeakPolarHBondContact O-CD 3.46Å; A123-P147 WeakPolarHBondContact O-CG 3.23Å; Y127-P147 HydrophobicContact CD2-CG 4.23Å; Y127-P147 HydrophobicContact CG-CG 4.29Å; W145-P147 WeakPolarHBondContact O-CD 3.18Å; P147-R149 PolarHBondContact O-N 2.82Å
148	L	97.4	Very high	96.4	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.7	-176.9	-52.1	174.7	0	0	0	112	E84 E86 I89 Y127 A150 S151	E84-L148 HydrophobicContact CB-CD2 3.96Å; E84-L148 WeakPolarHBondContact OE2-CA 3.31Å; E84-L148 PolarHBondContact OE2-N 2.81Å; E86-L148 HydrophobicContact CB-CD1 4.2Å; E86-L148 HydrophobicContact CB-CD2 3.84Å; E86-L148 HydrophobicContact CG-CD1 3.83Å; E86-L148 HydrophobicContact CG-CD2 4.2Å; I89-L148 HydrophobicContact CB-CD1 4.31Å; I89-L148 HydrophobicContact CD1-CD1 4.32Å; I89-L148 HydrophobicContact CD1-CD2 4.13Å; I89-L148 HydrophobicContact CD1-CG 3.98Å; I89-L148 HydrophobicContact CG2-CD1 4.02Å; Y127-L148 HydrophobicContact CD2-CD1 4.45Å; Y127-L148 HydrophobicContact CE2-CB 4.23Å; Y127-L148 HydrophobicContact CE2-CD1 3.7Å; Y127-L148 HydrophobicContact CE2-CG 4.42Å; L148-A150 PolarHBondContact O-N 2.61Å; L148-S151 WeakPolarHBondContact CB-OG 3.29Å; L148-S151 WeakPolarHBondContact O-CB 3.49Å; L148-S151 PolarHBondContact O-N 3.37Å; L148-S151 PolarHBondContact O-OG 2.86Å
149	R	95.8	Very high	96.2	Very high	113 Å²	113	38.6 Å²	38.6	43%	0.426	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-49.9	-35.3	-171.8	74.5	-179.6	-178.4	-140.7	-9.6	113.7	P80 P147 S151 F152	P80-R149 PolarHBondContact O-NH1 3.11Å; P80-R149 PolarHBondContact O-NH2 3.32Å; P147-R149 PolarHBondContact O-N 2.82Å; R149-S151 VanDerWaalsContact C-N 3.31Å; R149-S151 PolarHBondContact O-N 3.15Å; R149-F152 PolarHBondContact O-N 2.64Å
150	A	95.4	Very high	96.1	Very high	90 Å²	90	39.9 Å²	39.9	74%	0.744	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-75	-19.3	-177.6	0	0	0	0	0	113.3	L148 F152	L148-A150 PolarHBondContact O-N 2.61Å; A150-F152 VanDerWaalsContact C-N 3.31Å
151	S	96.6	Very high	96	Very high	79 Å²	79	40.1 Å²	40.1	55%	0.552	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-77.6	-16.9	174.9	73.9	0	0	0	0	113.1	L148 R149	L148-S151 WeakPolarHBondContact CB-OG 3.29Å; L148-S151 WeakPolarHBondContact O-CB 3.49Å; L148-S151 PolarHBondContact O-N 3.37Å; L148-S151 PolarHBondContact O-OG 2.86Å; R149-S151 VanDerWaalsContact C-N 3.31Å; R149-S151 PolarHBondContact O-N 3.15Å
152	F	97.8	Very high	96	Very high	14 Å²	14	46.6 Å²	46.6	6%	0.061	28%	0.277	C	S	.	.	S	Bend	trans	-78	147.9	176.4	-75.1	-83.4	0	0	0	111.6	Y127 L130 T131 L146 R149 A150 V157 L192	Y127-F152 AromaticContact CD2-CE2 3.88Å; Y127-F152 HydrophobicContact CD2-CE2 3.88Å; Y127-F152 AromaticContact CD2-CZ 3.78Å; Y127-F152 HydrophobicContact CD2-CZ 3.78Å; Y127-F152 HydrophobicContact CE2-CE2 4.15Å; Y127-F152 HydrophobicContact CE2-CZ 4.1Å; L130-F152 HydrophobicContact CB-CE1 3.65Å; L130-F152 HydrophobicContact CB-CZ 4.07Å; L130-F152 HydrophobicContact CD1-CE1 4.1Å; L130-F152 HydrophobicContact CD1-CZ 4.18Å; T131-F152 HydrophobicContact CG2-CE1 4.22Å; T131-F152 HydrophobicContact CG2-CZ 4.2Å; L146-F152 HydrophobicContact CD1-CD2 4.33Å; L146-F152 HydrophobicContact CD1-CE2 3.69Å; L146-F152 HydrophobicContact CD1-CZ 4.02Å; L146-F152 HydrophobicContact CD2-CD2 3.93Å; L146-F152 HydrophobicContact CD2-CE2 4.15Å; L146-F152 HydrophobicContact CD2-CG 4.47Å; L146-F152 HydrophobicContact CG-CD2 4.21Å; L146-F152 HydrophobicContact CG-CE2 3.99Å; R149-F152 PolarHBondContact O-N 2.64Å; A150-F152 VanDerWaalsContact C-N 3.31Å; F152-V157 HydrophobicContact CD1-CG1 3.96Å; F152-V157 HydrophobicContact CE1-CG1 4.5Å; F152-L192 HydrophobicContact CB-CD1 4Å; F152-L192 HydrophobicContact CB-CD2 3.9Å; F152-L192 HydrophobicContact CD1-CD1 3.88Å; F152-L192 HydrophobicContact CD1-CD2 4.49Å; F152-L192 HydrophobicContact CG-CD1 3.92Å
153	P	96.5	Very high	95.9	Very high	60 Å²	60	50.1 Å²	50.1	39%	0.39	30%	0.296	S	S	.	.			trans	-58.8	158.5	177.4	25.3	-34.2	0	0	0	111.8	G155 V157 K188 L192	P153-G155 VanDerWaalsContact C-N 3.26Å; P153-G155 WeakPolarHBondContact CG-O 3.06Å; P153-G155 PolarHBondContact O-N 2.94Å; P153-V157 HydrophobicContact CG-CG1 3.9Å; P153-K188 PolarHBondContact O-NZ 3.49Å; P153-L192 HydrophobicContact CG-CD2 4.1Å; P153-L192 WeakPolarHBondContact O-CD2 3.43Å
154	Q	93	Very high	95.9	Very high	162 Å²	162	50.4 Å²	50.4	76%	0.757	30%	0.297	S	S	*	.	S	Bend	trans	-72.4	-22.4	175	-62	-56.2	-25	0	0	113
155	G	90.6	Very high	95.9	Very high	29 Å²	29	51.5 Å²	51.5	30%	0.299	31%	0.305	S	S	.	.	S	Bend	trans	-115.9	-156.5	174.8	0	0	0	0	0	112.2	P153 T191 L192	P153-G155 VanDerWaalsContact C-N 3.26Å; P153-G155 WeakPolarHBondContact CG-O 3.06Å; P153-G155 PolarHBondContact O-N 2.94Å; G155-T191 CarbonylContact C-O 3.57Å; G155-L192 WeakPolarHBondContact O-CD2 3.37Å
156	P	92.3	Very high	96	Very high	104 Å²	104	50 Å²	50	68%	0.675	30%	0.299	S	S	*	.			trans	-64.1	143.2	-172	24.8	-33.7	0	0	0	112.7	G158 T191 L192	P156-G158 VanDerWaalsContact C-N 3.28Å; P156-G158 PolarHBondContact O-N 3.29Å; P156-T191 WeakPolarHBondContact CA-O 3.39Å; P156-L192 CarbonylContact C-O 3.46Å; P156-L192 VanDerWaalsContact CA-O 3.27Å; P156-L192 WeakPolarHBondContact CA-O 3.37Å
157	V	91.9	Very high	96	Very high	40 Å²	40	50 Å²	50	24%	0.242	30%	0.299	C	S	.	.			trans	-72.5	-21.7	176	-64	0	0	0	0	113	L130 F152 P153 L192 V193	L130-V157 HydrophobicContact CD2-CG2 4.39Å; F152-V157 HydrophobicContact CD1-CG1 3.96Å; F152-V157 HydrophobicContact CE1-CG1 4.5Å; P153-V157 HydrophobicContact CG-CG1 3.9Å; V157-L192 HydrophobicContact CG1-CB 3.92Å; V157-L192 HydrophobicContact CG1-CD1 4.39Å; V157-L192 HydrophobicContact CG1-CD2 3.75Å; V157-L192 HydrophobicContact CG1-CG 4.2Å; V157-L192 WeakPolarHBondContact CG2-O 3.42Å; V157-L192 PolarHBondContact N-O 3.28Å; V157-V193 HydrophobicContact CG2-CG1 4.29Å
158	G	90	Very high	96	Very high	29 Å²	29	50 Å²	50	30%	0.299	30%	0.299	S	S	.	.			trans	64.9	-151.2	-174.5	0	0	0	0	0	112.9	P156 R162	P156-G158 VanDerWaalsContact C-N 3.28Å; P156-G158 PolarHBondContact O-N 3.29Å; G158-R162 WeakPolarHBondContact O-CB 3.27Å; G158-R162 PolarHBondContact O-N 3.47Å
159	G	94.1	Very high	96.1	Very high	35 Å²	35	49.1 Å²	49.1	36%	0.361	30%	0.295	S	S	.	.	S	Bend	trans	68.1	-160.8	175.8	0	0	0	0	0	115.3	N161 R162	G159-N161 VanDerWaalsContact C-N 3.33Å; G159-N161 PolarHBondContact O-N 3.37Å; G159-R162 PolarHBondContact O-NH1 3.46Å
160	A	96.9	Very high	96.3	Very high	27 Å²	27	43.8 Å²	43.8	22%	0.223	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.9	-173.4	0	0	0	0	0	114.2	Q133 K135	Q133-A160 WeakPolarHBondContact O-CB 3.36Å; K135-A160 HydrophobicContact CB-CB 4.22Å
161	N	98.2	Very high	96.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	16.5	-173.4	-69.2	-38.9	0	0	0	113.9	A129 T132 Q134 K135 L136 G159 D163 I164	A129-N161 PolarHBondContact O-ND2 3.25Å; T132-N161 WeakPolarHBondContact CG2-ND2 3.43Å; Q134-N161 PolarHBondContact O-ND2 2.71Å; K135-N161 WeakPolarHBondContact CA-OD1 3.4Å; L136-N161 PolarHBondContact N-OD1 2.85Å; G159-N161 VanDerWaalsContact C-N 3.33Å; G159-N161 PolarHBondContact O-N 3.37Å; N161-D163 PolarHBondContact O-N 2.95Å; N161-D163 VanDerWaalsContact O-N 3.08Å; N161-I164 HydrophobicContact CB-CB 4.03Å; N161-I164 HydrophobicContact CB-CD1 4.19Å; N161-I164 HydrophobicContact CB-CG2 4.25Å; N161-I164 VanDerWaalsContact O-CB 3.29Å; N161-I164 WeakPolarHBondContact O-CB 3.42Å; N161-I164 WeakPolarHBondContact O-CG2 3.46Å; N161-I164 PolarHBondContact O-N 3.26Å
162	R	97.6	Very high	96.5	Very high	136 Å²	136	39.1 Å²	39.1	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28	177.2	70.8	-178.1	179.7	-95	4.4	114.4	G158 G159 V193 N194	G158-R162 WeakPolarHBondContact O-CB 3.27Å; G158-R162 PolarHBondContact O-N 3.47Å; G159-R162 PolarHBondContact O-NH1 3.46Å; R162-V193 CarbonylContact O-C 3.59Å; R162-V193 WeakPolarHBondContact O-CA 3.25Å; R162-V193 WeakPolarHBondContact O-CB 3.49Å; R162-N194 PolarHBondContact O-N 3Å
163	D	98.3	Very high	96.5	Very high	74 Å²	74	41.5 Å²	41.5	40%	0.396	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	14.1	-178.3	-66	-58.5	0	0	0	112	N161 S165 N194 N197	N161-D163 PolarHBondContact O-N 2.95Å; N161-D163 VanDerWaalsContact O-N 3.08Å; D163-S165 PolarHBondContact O-N 2.93Å; D163-N194 WeakPolarHBondContact OD1-CB 3.46Å; D163-N194 PolarHBondContact OD1-ND2 3.02Å; D163-N194 VanDerWaalsContact OD1-ND2 3.17Å; D163-N197 PolarHBondContact O-ND2 3.21Å
164	I	98.8	Very high	96.6	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	23%	0.233	C	C	.	.			trans	-59.9	138.5	-177.2	-165.3	168.8	0	0	0	111.2	A129 L136 V139 N161 I166 V193	A129-I164 HydrophobicContact CB-CD1 4.05Å; L136-I164 HydrophobicContact CB-CD1 3.84Å; V139-I164 HydrophobicContact CG2-CD1 3.77Å; N161-I164 HydrophobicContact CB-CB 4.03Å; N161-I164 HydrophobicContact CB-CD1 4.19Å; N161-I164 HydrophobicContact CB-CG2 4.25Å; N161-I164 VanDerWaalsContact O-CB 3.29Å; N161-I164 WeakPolarHBondContact O-CB 3.42Å; N161-I164 WeakPolarHBondContact O-CG2 3.46Å; N161-I164 PolarHBondContact O-N 3.26Å; I164-I166 HydrophobicContact CG2-CD1 4.13Å; I164-I166 HydrophobicContact CG2-CG1 4.04Å; I164-V193 HydrophobicContact CG2-CB 4.49Å; I164-V193 HydrophobicContact CG2-CG1 4.01Å
165	S	98.9	Very high	96.8	Very high	23 Å²	23	36 Å²	36	16%	0.161	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	134.4	172.3	-61.1	0	0	0	0	110.9	G138 V139 D163 N197	G138-S165 CarbonylContact C-O 3.6Å; G138-S165 WeakPolarHBondContact CA-O 3.02Å; V139-S165 PolarHBondContact N-O 3.29Å; D163-S165 PolarHBondContact O-N 2.93Å; S165-N197 CarbonylContact C-O 3.56Å; S165-N197 WeakPolarHBondContact CA-O 3.49Å
166	I	98.9	Very high	97	Very high	1 Å²	1	39 Å²	39	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123	179	-53.7	179.8	0	0	0	108.9	L126 V139 I164 L189 V193 N197 V198 T199	L126-I166 HydrophobicContact CD2-CD1 4.41Å; L126-I166 HydrophobicContact CD2-CG2 4.17Å; V139-I166 HydrophobicContact CB-CG1 4.3Å; V139-I166 HydrophobicContact CB-CG2 4.34Å; V139-I166 WeakPolarHBondContact O-CA 3.46Å; I164-I166 HydrophobicContact CG2-CD1 4.13Å; I164-I166 HydrophobicContact CG2-CG1 4.04Å; I166-L189 HydrophobicContact CD1-CD1 4.19Å; I166-L189 HydrophobicContact CD1-CD2 3.99Å; I166-L189 HydrophobicContact CD1-CG 4.5Å; I166-L189 HydrophobicContact CG2-CD1 4.17Å; I166-V193 HydrophobicContact CD1-CG2 4.05Å; I166-N197 PolarHBondContact N-O 3.14Å; I166-V198 HydrophobicContact CB-CG2 4.48Å; I166-V198 WeakPolarHBondContact O-CA 3.38Å; I166-T199 PolarHBondContact O-N 3.18Å
167	L	98.9	Very high	97.2	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.2	162.2	173.7	63.6	0	0	0	107.7	V139 T140 A141 T199 K201 D217 V218 F221	V139-L167 PolarHBondContact O-N 2.92Å; T140-L167 CarbonylContact C-O 3.53Å; T140-L167 WeakPolarHBondContact CA-O 3.28Å; T140-L167 HydrophobicContact CG2-CB 4.45Å; A141-L167 PolarHBondContact N-O 3.31Å; L167-T199 HydrophobicContact CD1-CG2 4.16Å; L167-K201 HydrophobicContact CD1-CD 4.26Å; L167-K201 HydrophobicContact CD1-CG 4.22Å; L167-D217 HydrophobicContact CD2-CB 4.49Å; L167-V218 HydrophobicContact CD2-CG2 4.08Å; L167-F221 HydrophobicContact CB-CB 4.44Å; L167-F221 HydrophobicContact CB-CD1 4.1Å; L167-F221 HydrophobicContact CB-CD2 3.66Å; L167-F221 HydrophobicContact CB-CE1 4.19Å; L167-F221 HydrophobicContact CB-CE2 3.76Å; L167-F221 HydrophobicContact CB-CG 3.82Å; L167-F221 HydrophobicContact CB-CZ 4.01Å; L167-F221 HydrophobicContact CD2-CB 3.78Å; L167-F221 HydrophobicContact CD2-CD2 4.49Å; L167-F221 HydrophobicContact CD2-CG 4.06Å
168	Q	98.9	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132	171.2	-173	-177.6	-14.4	0	0	109.4	A141 G182 T199 F200 K201	A141-Q168 HydrophobicContact CB-CG 4.4Å; A141-Q168 CarbonylContact O-C 3.6Å; A141-Q168 VanDerWaalsContact O-CA 3.29Å; A141-Q168 WeakPolarHBondContact O-CA 3.25Å; Q168-G182 VanDerWaalsContact NE2-CA 3.27Å; Q168-G182 PolarHBondContact NE2-O 3.21Å; Q168-T199 PolarHBondContact N-O 2.67Å; Q168-F200 HydrophobicContact CB-CD2 3.92Å; Q168-F200 HydrophobicContact CG-CD2 3.78Å; Q168-F200 HydrophobicContact CG-CE2 4.01Å; Q168-F200 CarbonylContact O-C 3.56Å; Q168-F200 VanDerWaalsContact O-CA 3.29Å; Q168-F200 WeakPolarHBondContact O-CA 3.38Å; Q168-F200 WeakPolarHBondContact O-CD2 3.22Å; Q168-K201 PolarHBondContact O-N 3.38Å
169	C	98.9	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.8	-176.1	-70.4	0	0	0	0	109.8	A141 L142 S143 K201 Y203 E214	A141-C169 PolarHBondContact O-N 2.79Å; L142-C169 HydrophobicContact CD2-CB 3.62Å; S143-C169 PolarHBondContact N-O 3.32Å; C169-K201 CarbonylContact C-O 3.25Å; C169-K201 VanDerWaalsContact CA-O 3.3Å; C169-K201 WeakPolarHBondContact CA-O 3.49Å; C169-Y203 HydrophobicContact CB-CE2 3.66Å; C169-Y203 PolarHBondContact SG-OH 3.04Å; C169-Y203 VanDerWaalsContact SG-OH 3.39Å; C169-E214 HydrophobicContact CB-CG 3.9Å; C169-E214 WeakPolarHBondContact CB-OE1 3.21Å
170	H	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	143	-179.5	-137.9	103.3	0	0	0	112.7	D174 V177 L179 F200 K201 T202 Y203	H170-D174 IonicContact NE2-OD2 3.82Å; H170-V177 PolarHBondContact NE2-O 3.33Å; H170-L179 HydrophobicContact CB-CD1 3.8Å; H170-F200 HydrophobicContact CB-CE2 3.81Å; H170-F200 HydrophobicContact CB-CZ 3.94Å; H170-K201 PolarHBondContact N-O 2.91Å; H170-T202 CarbonylContact O-C 3.18Å; H170-T202 WeakPolarHBondContact O-CA 3.37Å; H170-Y203 PolarHBondContact O-N 3.42Å
171	G	98.8	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136	170.7	0	0	0	0	0	112	C173 D174 M206	G171-C173 PolarHBondContact O-N 3.17Å; G171-D174 PolarHBondContact O-N 3.41Å; G171-M206 CarbonylContact C-O 3.57Å; G171-M206 VanDerWaalsContact C-O 3.25Å; G171-M206 WeakPolarHBondContact CA-O 3.18Å
172	D	98.4	Very high	98	Very high	71 Å²	71	38.7 Å²	38.7	38%	0.38	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-16.2	179.7	72	-9	0	0	0	113.8	L179 Y203 E204 G205 M206	D172-L179 HydrophobicContact CB-CD2 4.21Å; D172-Y203 PolarHBondContact N-O 3.31Å; D172-E204 WeakPolarHBondContact OD2-CA 3.5Å; D172-G205 PolarHBondContact OD1-N 3.48Å; D172-M206 PolarHBondContact N-O 3.14Å
173	C	98.3	Very high	98	Very high	65 Å²	65	34.2 Å²	34.2	44%	0.439	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	19.5	177.6	-65.4	0	0	0	0	112.5	G171 P175 M206 M207	G171-C173 PolarHBondContact O-N 3.17Å; C173-P175 WeakPolarHBondContact O-CD 3.06Å; C173-M206 CarbonylContact C-O 3.5Å; C173-M206 WeakPolarHBondContact CA-O 3.15Å; C173-M206 PolarHBondContact N-O 3.27Å; C173-M207 HydrophobicContact CB-CG 4.05Å
174	D	98.4	Very high	98	Very high	11 Å²	11	34.2 Å²	34.2	6%	0.059	20%	0.196	C	C	.	.			trans	-67.3	113.8	-178.3	-168.8	-33	0	0	0	111.8	H170 G171 L176 V177 H208	H170-D174 IonicContact NE2-OD2 3.82Å; G171-D174 PolarHBondContact O-N 3.41Å; D174-L176 PolarHBondContact OD1-N 2.98Å; D174-V177 WeakPolarHBondContact CB-O 3.42Å; D174-V177 PolarHBondContact OD1-N 3.43Å; D174-H208 WeakPolarHBondContact OD1-CB 3.31Å; D174-H208 IonicContact OD1-CG 3.6Å; D174-H208 IonicContact OD1-ND1 2.73Å; D174-H208 PolarHBondContact OD1-ND1 3.27Å; D174-H208 IonicContact OD2-CE1 2.67Å; D174-H208 IonicContact OD2-CG 3.27Å; D174-H208 IonicContact OD2-ND1 3.77Å; D174-H208 PolarHBondContact OD2-ND1 3.02Å
175	P	96.4	Very high	98	Very high	96 Å²	96	34.3 Å²	34.3	62%	0.623	20%	0.197	S	C	*	.	S	Bend	trans	-87.4	-9.5	-177.9	36	-34.3	0	0	0	113.6	C173	C173-P175 WeakPolarHBondContact O-CD 3.06Å
176	L	95.3	Very high	98	Very high	90 Å²	90	33.6 Å²	33.6	47%	0.471	19%	0.192	S	C	.	.	S	Bend	trans	-105.6	-46.7	-174	-68.8	-179.5	0	0	0	112.1	D174 P178 H208	D174-L176 PolarHBondContact OD1-N 2.98Å; L176-P178 WeakPolarHBondContact O-CD 3.35Å; L176-H208 HydrophobicContact CB-CB 4.18Å; L176-H208 HydrophobicContact CD1-CB 4.04Å; L176-H208 HydrophobicContact CG-CB 4.29Å
177	V	96.9	Very high	97.9	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-114.9	93.3	172.5	-176.1	0	0	0	0	106.5	W145 H170 D174 L179 F181	W145-V177 HydrophobicContact CE3-CG1 4.25Å; W145-V177 HydrophobicContact CE3-CG2 4.27Å; W145-V177 HydrophobicContact CZ3-CG2 4.12Å; H170-V177 PolarHBondContact NE2-O 3.33Å; D174-V177 WeakPolarHBondContact CB-O 3.42Å; D174-V177 PolarHBondContact OD1-N 3.43Å; V177-L179 PolarHBondContact O-N 3.05Å; V177-F181 HydrophobicContact CG1-CB 4.19Å; V177-F181 HydrophobicContact CG1-CD2 4.18Å
178	P	96.6	Very high	97.9	Very high	47 Å²	47	40.8 Å²	40.8	31%	0.305	22%	0.224	S	C	.	.			trans	-53.8	142.2	-175.3	-27.2	34.6	0	0	0	111.8	L176 M180 F181	L176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-M180 PolarHBondContact O-N 3.26Å; P178-F181 HydrophobicContact CB-CD1 4.42Å; P178-F181 HydrophobicContact CB-CE1 4.42Å; P178-F181 HydrophobicContact CG-CE1 4.21Å; P178-F181 HydrophobicContact CG-CZ 4.19Å; P178-F181 WeakPolarHBondContact O-CB 3.33Å; P178-F181 PolarHBondContact O-N 3.31Å
179	L	98	Very high	97.9	Very high	52 Å²	52	40.8 Å²	40.8	27%	0.272	22%	0.224	S	C	.	.	H	α-helix	trans	-49.6	-34.5	177.7	176.2	63	0	0	0	112.6	H170 D172 V177 F181 G182 S183 F200 T202	H170-L179 HydrophobicContact CB-CD1 3.8Å; D172-L179 HydrophobicContact CB-CD2 4.21Å; V177-L179 PolarHBondContact O-N 3.05Å; L179-F181 PolarHBondContact O-N 3.44Å; L179-G182 WeakPolarHBondContact O-CA 3.34Å; L179-G182 PolarHBondContact O-N 3.19Å; L179-S183 PolarHBondContact O-N 3.08Å; L179-S183 PolarHBondContact O-OG 3.48Å; L179-F200 HydrophobicContact CD1-CE1 4.36Å; L179-F200 HydrophobicContact CD1-CZ 3.83Å; L179-T202 HydrophobicContact CD1-CG2 3.72Å
180	M	97	Very high	97.9	Very high	106 Å²	106	45.7 Å²	45.7	52%	0.522	25%	0.246	S	C	.	.	H	α-helix	trans	-53.2	-36.7	174.8	-172.9	-177.5	76.3	0	0	113	P80 P178 G182 S183 L184	P80-M180 HydrophobicContact CG-CE 3.95Å; P178-M180 PolarHBondContact O-N 3.26Å; M180-G182 VanDerWaalsContact C-N 3.34Å; M180-S183 PolarHBondContact O-N 3.31Å; M180-L184 HydrophobicContact CE-CD1 4.42Å; M180-L184 HydrophobicContact CG-CD1 4.19Å; M180-L184 HydrophobicContact CG-CG 4.44Å; M180-L184 WeakPolarHBondContact O-CB 3.08Å; M180-L184 VanDerWaalsContact O-CG 3.32Å; M180-L184 WeakPolarHBondContact O-CG 3.29Å; M180-L184 PolarHBondContact O-N 3.33Å
181	F	97.1	Very high	97.9	Very high	26 Å²	26	48.7 Å²	48.7	11%	0.114	26%	0.264	C	S	.	.	H	α-helix	trans	-70.4	-37.4	179	-66.4	10.7	0	0	0	110.7	L78 P80 W145 V177 P178 L179 T185	L78-F181 WeakPolarHBondContact O-CE2 3.49Å; L78-F181 WeakPolarHBondContact O-CZ 3.48Å; P80-F181 HydrophobicContact CB-CE1 4.48Å; P80-F181 HydrophobicContact CG-CD1 4.35Å; P80-F181 HydrophobicContact CG-CE1 3.45Å; P80-F181 VanDerWaalsContact CG-CE1 3.45Å; P80-F181 HydrophobicContact CG-CZ 3.83Å; W145-F181 HydrophobicContact CB-CB 4.44Å; V177-F181 HydrophobicContact CG1-CB 4.19Å; V177-F181 HydrophobicContact CG1-CD2 4.18Å; P178-F181 HydrophobicContact CB-CD1 4.42Å; P178-F181 HydrophobicContact CB-CE1 4.42Å; P178-F181 HydrophobicContact CG-CE1 4.21Å; P178-F181 HydrophobicContact CG-CZ 4.19Å; P178-F181 WeakPolarHBondContact O-CB 3.33Å; P178-F181 PolarHBondContact O-N 3.31Å; L179-F181 PolarHBondContact O-N 3.44Å; F181-T185 VanDerWaalsContact O-CB 3.23Å; F181-T185 WeakPolarHBondContact O-CB 3.37Å; F181-T185 PolarHBondContact O-N 2.86Å; F181-T185 PolarHBondContact O-OG1 3.48Å
182	G	98.1	Very high	97.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-48.6	170.2	0	0	0	0	0	111.5	Q168 L179 M180 T185 V186	Q168-G182 VanDerWaalsContact NE2-CA 3.27Å; Q168-G182 PolarHBondContact NE2-O 3.21Å; L179-G182 WeakPolarHBondContact O-CA 3.34Å; L179-G182 PolarHBondContact O-N 3.19Å; M180-G182 VanDerWaalsContact C-N 3.34Å; G182-T185 WeakPolarHBondContact O-CB 3.47Å; G182-T185 PolarHBondContact O-N 3.2Å; G182-V186 PolarHBondContact O-N 2.79Å
183	S	98.4	Very high	97.9	Very high	43 Å²	43	45.6 Å²	45.6	30%	0.301	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-48.8	178.1	-60.2	0	0	0	0	113	L179 M180 T185 V186 E187	L179-S183 PolarHBondContact O-N 3.08Å; L179-S183 PolarHBondContact O-OG 3.48Å; M180-S183 PolarHBondContact O-N 3.31Å; S183-T185 PolarHBondContact O-N 2.91Å; S183-V186 VanDerWaalsContact O-CG1 3.22Å; S183-V186 WeakPolarHBondContact O-CG1 3.35Å; S183-V186 PolarHBondContact O-N 3.39Å; S183-E187 WeakPolarHBondContact O-CG 3.35Å; S183-E187 PolarHBondContact O-N 2.93Å
184	L	97.5	Very high	97.9	Very high	73 Å²	73	45.2 Å²	45.2	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-34.6	176	-70.6	171.7	0	0	0	111.8	M180 K188	M180-L184 HydrophobicContact CE-CD1 4.42Å; M180-L184 HydrophobicContact CG-CD1 4.19Å; M180-L184 HydrophobicContact CG-CG 4.44Å; M180-L184 WeakPolarHBondContact O-CB 3.08Å; M180-L184 VanDerWaalsContact O-CG 3.32Å; M180-L184 WeakPolarHBondContact O-CG 3.29Å; M180-L184 PolarHBondContact O-N 3.33Å; L184-K188 WeakPolarHBondContact O-CB 3.3Å; L184-K188 PolarHBondContact O-N 3.25Å
185	T	98.6	Very high	97.9	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-51.3	176.7	-65.3	0	0	0	0	111.1	L126 W145 L146 F181 G182 S183 E187 K188 L189	L126-T185 HydrophobicContact CD1-CG2 3.85Å; W145-T185 WeakPolarHBondContact CA-OG1 3.46Å; L146-T185 HydrophobicContact CB-CG2 3.87Å; L146-T185 PolarHBondContact N-OG1 2.97Å; F181-T185 VanDerWaalsContact O-CB 3.23Å; F181-T185 WeakPolarHBondContact O-CB 3.37Å; F181-T185 PolarHBondContact O-N 2.86Å; F181-T185 PolarHBondContact O-OG1 3.48Å; G182-T185 WeakPolarHBondContact O-CB 3.47Å; G182-T185 PolarHBondContact O-N 3.2Å; S183-T185 PolarHBondContact O-N 2.91Å; T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 3.16Å; T185-K188 PolarHBondContact O-N 3.05Å; T185-K188 VanDerWaalsContact O-N 3.15Å; T185-L189 HydrophobicContact CG2-CD1 3.89Å; T185-L189 HydrophobicContact CG2-CG 4.2Å; T185-L189 VanDerWaalsContact O-CG 3.25Å; T185-L189 WeakPolarHBondContact O-CG 3.42Å; T185-L189 PolarHBondContact O-N 2.96Å
186	V	98.8	Very high	97.9	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-38.5	179.8	67.7	0	0	0	0	111.7	G182 S183 K188 L189 K190 V198 F200	G182-V186 PolarHBondContact O-N 2.79Å; S183-V186 VanDerWaalsContact O-CG1 3.22Å; S183-V186 WeakPolarHBondContact O-CG1 3.35Å; S183-V186 PolarHBondContact O-N 3.39Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.12Å; V186-L189 PolarHBondContact O-N 3.48Å; V186-K190 HydrophobicContact CG2-CD 4.4Å; V186-K190 WeakPolarHBondContact O-CG 3.23Å; V186-K190 PolarHBondContact O-N 3.02Å; V186-V198 HydrophobicContact CG2-CG1 3.62Å; V186-F200 HydrophobicContact CB-CB 4.09Å; V186-F200 HydrophobicContact CB-CD2 4.42Å; V186-F200 HydrophobicContact CB-CG 4.2Å; V186-F200 HydrophobicContact CG1-CB 4.11Å; V186-F200 HydrophobicContact CG1-CD1 3.98Å; V186-F200 HydrophobicContact CG1-CD2 4.46Å; V186-F200 HydrophobicContact CG1-CE1 4.49Å; V186-F200 HydrophobicContact CG1-CG 3.96Å; V186-F200 HydrophobicContact CG2-CB 3.72Å; V186-F200 HydrophobicContact CG2-CG 4.38Å
187	E	98.4	Very high	98.1	Very high	123 Å²	123	47.2 Å²	47.2	58%	0.575	26%	0.255	S	S	*	.	H	α-helix	trans	-58.7	-47.4	174.5	-75.5	-178.6	174.7	0	0	110.9	S183 T185 K190 T191	S183-E187 WeakPolarHBondContact O-CG 3.35Å; S183-E187 PolarHBondContact O-N 2.93Å; T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 3.16Å; E187-K190 PolarHBondContact O-N 2.88Å; E187-T191 PolarHBondContact O-N 3.28Å
188	K	98.5	Very high	98.2	Very high	34 Å²	34	47.5 Å²	47.5	15%	0.148	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-46.2	176.1	-172.2	58.4	178.2	166.2	0	111.2	L146 P153 L184 T185 V186 K190 T191 L192	L146-K188 HydrophobicContact CD2-CB 4.37Å; L146-K188 HydrophobicContact CD2-CG 3.72Å; P153-K188 PolarHBondContact O-NZ 3.49Å; L184-K188 WeakPolarHBondContact O-CB 3.3Å; L184-K188 PolarHBondContact O-N 3.25Å; T185-K188 PolarHBondContact O-N 3.05Å; T185-K188 VanDerWaalsContact O-N 3.15Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.12Å; K188-K190 VanDerWaalsContact C-N 3.28Å; K188-K190 PolarHBondContact O-N 3.34Å; K188-T191 WeakPolarHBondContact O-CA 3.5Å; K188-T191 WeakPolarHBondContact O-CB 3.38Å; K188-T191 PolarHBondContact O-N 2.94Å; K188-T191 PolarHBondContact O-OG1 3.32Å; K188-L192 HydrophobicContact CD-CG 4.46Å; K188-L192 HydrophobicContact CG-CD1 4.02Å; K188-L192 HydrophobicContact CG-CG 4.31Å; K188-L192 WeakPolarHBondContact O-CG 3.39Å; K188-L192 PolarHBondContact O-N 2.74Å; K188-L192 VanDerWaalsContact O-N 3.17Å
189	L	98.8	Very high	98.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-40.7	179	-69.1	174	0	0	0	112.3	L126 L130 I166 T185 V186 T191 L192 V193 V198	L126-L189 HydrophobicContact CD2-CD1 3.94Å; L126-L189 HydrophobicContact CD2-CD2 4.13Å; L130-L189 HydrophobicContact CD1-CD2 3.72Å; I166-L189 HydrophobicContact CD1-CD1 4.19Å; I166-L189 HydrophobicContact CD1-CD2 3.99Å; I166-L189 HydrophobicContact CD1-CG 4.5Å; I166-L189 HydrophobicContact CG2-CD1 4.17Å; T185-L189 HydrophobicContact CG2-CD1 3.89Å; T185-L189 HydrophobicContact CG2-CG 4.2Å; T185-L189 VanDerWaalsContact O-CG 3.25Å; T185-L189 WeakPolarHBondContact O-CG 3.42Å; T185-L189 PolarHBondContact O-N 2.96Å; V186-L189 PolarHBondContact O-N 3.48Å; L189-T191 PolarHBondContact O-N 3.34Å; L189-L192 PolarHBondContact O-N 3.18Å; L189-V193 WeakPolarHBondContact O-CG2 3.29Å; L189-V193 PolarHBondContact O-N 2.95Å; L189-V198 HydrophobicContact CB-CG1 4.26Å
190	K	98.6	Very high	98.3	Very high	102 Å²	102	48.6 Å²	48.6	44%	0.443	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-19.1	175.9	-75.2	174.8	176.1	176.7	0	114	V186 E187 K188 P195 V198	V186-K190 HydrophobicContact CG2-CD 4.4Å; V186-K190 WeakPolarHBondContact O-CG 3.23Å; V186-K190 PolarHBondContact O-N 3.02Å; E187-K190 PolarHBondContact O-N 2.88Å; K188-K190 VanDerWaalsContact C-N 3.28Å; K188-K190 PolarHBondContact O-N 3.34Å; K190-P195 HydrophobicContact CB-CB 3.99Å; K190-P195 HydrophobicContact CG-CB 4Å; K190-V198 HydrophobicContact CG-CB 4.19Å; K190-V198 HydrophobicContact CG-CG1 4.24Å
191	T	98.5	Very high	98.4	Very high	63 Å²	63	46.8 Å²	46.8	39%	0.387	25%	0.25	S	C	.	.	H	α-helix	trans	-88.1	-28	170.7	71.6	0	0	0	0	113.1	G155 P156 E187 K188 L189	G155-T191 CarbonylContact C-O 3.57Å; P156-T191 WeakPolarHBondContact CA-O 3.39Å; E187-T191 PolarHBondContact O-N 3.28Å; K188-T191 WeakPolarHBondContact O-CA 3.5Å; K188-T191 WeakPolarHBondContact O-CB 3.38Å; K188-T191 PolarHBondContact O-N 2.94Å; K188-T191 PolarHBondContact O-OG1 3.32Å; L189-T191 PolarHBondContact O-N 3.34Å
192	L	98.6	Very high	98.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-86	-38.4	-173.4	-65.9	-177.5	0	0	0	112.4	L130 L146 F152 P153 G155 P156 V157 K188 L189	L130-L192 HydrophobicContact CD1-CD1 4.19Å; L146-L192 HydrophobicContact CD2-CD1 3.8Å; F152-L192 HydrophobicContact CB-CD1 4Å; F152-L192 HydrophobicContact CB-CD2 3.9Å; F152-L192 HydrophobicContact CD1-CD1 3.88Å; F152-L192 HydrophobicContact CD1-CD2 4.49Å; F152-L192 HydrophobicContact CG-CD1 3.92Å; P153-L192 HydrophobicContact CG-CD2 4.1Å; P153-L192 WeakPolarHBondContact O-CD2 3.43Å; G155-L192 WeakPolarHBondContact O-CD2 3.37Å; P156-L192 CarbonylContact C-O 3.46Å; P156-L192 VanDerWaalsContact CA-O 3.27Å; P156-L192 WeakPolarHBondContact CA-O 3.37Å; V157-L192 HydrophobicContact CG1-CB 3.92Å; V157-L192 HydrophobicContact CG1-CD1 4.39Å; V157-L192 HydrophobicContact CG1-CD2 3.75Å; V157-L192 HydrophobicContact CG1-CG 4.2Å; V157-L192 WeakPolarHBondContact CG2-O 3.42Å; V157-L192 PolarHBondContact N-O 3.28Å; K188-L192 HydrophobicContact CD-CG 4.46Å; K188-L192 HydrophobicContact CG-CD1 4.02Å; K188-L192 HydrophobicContact CG-CG 4.31Å; K188-L192 WeakPolarHBondContact O-CG 3.39Å; K188-L192 PolarHBondContact O-N 2.74Å; K188-L192 VanDerWaalsContact O-N 3.17Å; L189-L192 PolarHBondContact O-N 3.18Å
193	V	98.6	Very high	98.6	Very high	6 Å²	6	50 Å²	50	4%	0.036	27%	0.27	C	S	.	.	S	Bend	trans	-125.4	173.4	-178.1	-58.6	0	0	0	0	110.6	L130 V157 R162 I164 I166 L189 P195 V198	L130-V193 HydrophobicContact CD2-CG1 3.56Å; V157-V193 HydrophobicContact CG2-CG1 4.29Å; R162-V193 CarbonylContact O-C 3.59Å; R162-V193 WeakPolarHBondContact O-CA 3.25Å; R162-V193 WeakPolarHBondContact O-CB 3.49Å; I164-V193 HydrophobicContact CG2-CB 4.49Å; I164-V193 HydrophobicContact CG2-CG1 4.01Å; I166-V193 HydrophobicContact CD1-CG2 4.05Å; L189-V193 WeakPolarHBondContact O-CG2 3.29Å; L189-V193 PolarHBondContact O-N 2.95Å; V193-P195 VanDerWaalsContact O-CD 3.24Å; V193-P195 WeakPolarHBondContact O-CD 3.5Å; V193-V198 HydrophobicContact CG2-CG2 3.47Å; V193-V198 VanDerWaalsContact CG2-CG2 3.47Å
194	N	98.1	Very high	98.6	Very high	57 Å²	57	56.7 Å²	56.7	31%	0.305	30%	0.296	S	S	.	.			trans	-57.7	112.5	176.2	-171.9	-23.1	0	0	0	110.9	R162 D163 V196 N197	R162-N194 PolarHBondContact O-N 3Å; D163-N194 WeakPolarHBondContact OD1-CB 3.46Å; D163-N194 PolarHBondContact OD1-ND2 3.02Å; D163-N194 VanDerWaalsContact OD1-ND2 3.17Å; N194-V196 PolarHBondContact O-N 3.31Å; N194-V196 VanDerWaalsContact O-N 3.14Å; N194-V196 PolarHBondContact OD1-N 2.85Å; N194-N197 PolarHBondContact O-N 2.85Å
195	P	98.3	Very high	98.6	Very high	68 Å²	68	55.6 Å²	55.6	44%	0.442	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66.4	-20.9	-170.7	25.7	-35.1	0	0	0	113.4	K190 V193 N197 V198	K190-P195 HydrophobicContact CB-CB 3.99Å; K190-P195 HydrophobicContact CG-CB 4Å; V193-P195 VanDerWaalsContact O-CD 3.24Å; V193-P195 WeakPolarHBondContact O-CD 3.5Å; P195-N197 PolarHBondContact O-N 2.88Å; P195-V198 PolarHBondContact O-N 3.3Å
196	V	98.3	Very high	98.6	Very high	123 Å²	123	55.9 Å²	55.9	75%	0.745	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63	-26.4	176	176.7	0	0	0	0	111.6	N194	N194-V196 PolarHBondContact O-N 3.31Å; N194-V196 VanDerWaalsContact O-N 3.14Å; N194-V196 PolarHBondContact OD1-N 2.85Å
197	N	98.5	Very high	98.6	Very high	48 Å²	48	61.1 Å²	61.1	26%	0.257	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-96.7	3.1	-176.1	-62.5	-16.7	0	0	0	112.8	D163 S165 I166 N194 P195	D163-N197 PolarHBondContact O-ND2 3.21Å; S165-N197 CarbonylContact C-O 3.56Å; S165-N197 WeakPolarHBondContact CA-O 3.49Å; I166-N197 PolarHBondContact N-O 3.14Å; N194-N197 PolarHBondContact O-N 2.85Å; P195-N197 PolarHBondContact O-N 2.88Å
198	V	98.9	Very high	98.6	Very high	10 Å²	10	57.3 Å²	57.3	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.8	-179.6	-175.8	0	0	0	0	110	I166 V186 L189 K190 V193 P195	I166-V198 HydrophobicContact CB-CG2 4.48Å; I166-V198 WeakPolarHBondContact O-CA 3.38Å; V186-V198 HydrophobicContact CG2-CG1 3.62Å; L189-V198 HydrophobicContact CB-CG1 4.26Å; K190-V198 HydrophobicContact CG-CB 4.19Å; K190-V198 HydrophobicContact CG-CG1 4.24Å; V193-V198 HydrophobicContact CG2-CG2 3.47Å; V193-V198 VanDerWaalsContact CG2-CG2 3.47Å; P195-V198 PolarHBondContact O-N 3.3Å
199	T	98.9	Very high	98.6	Very high	65 Å²	65	58.7 Å²	58.7	40%	0.399	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.6	176.6	-57.7	0	0	0	0	110	I166 L167 Q168 K201	I166-T199 PolarHBondContact O-N 3.18Å; L167-T199 HydrophobicContact CD1-CG2 4.16Å; Q168-T199 PolarHBondContact N-O 2.67Å; T199-K201 HydrophobicContact CG2-CG 4.18Å
200	F	98.9	Very high	98.5	Very high	57 Å²	57	60.7 Å²	60.7	25%	0.25	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.4	172.7	-177.5	-126.8	0	0	0	109.9	Q168 H170 L179 V186 T202	Q168-F200 HydrophobicContact CB-CD2 3.92Å; Q168-F200 HydrophobicContact CG-CD2 3.78Å; Q168-F200 HydrophobicContact CG-CE2 4.01Å; Q168-F200 CarbonylContact O-C 3.56Å; Q168-F200 VanDerWaalsContact O-CA 3.29Å; Q168-F200 WeakPolarHBondContact O-CA 3.38Å; Q168-F200 WeakPolarHBondContact O-CD2 3.22Å; H170-F200 HydrophobicContact CB-CE2 3.81Å; H170-F200 HydrophobicContact CB-CZ 3.94Å; L179-F200 HydrophobicContact CD1-CE1 4.36Å; L179-F200 HydrophobicContact CD1-CZ 3.83Å; V186-F200 HydrophobicContact CB-CB 4.09Å; V186-F200 HydrophobicContact CB-CD2 4.42Å; V186-F200 HydrophobicContact CB-CG 4.2Å; V186-F200 HydrophobicContact CG1-CB 4.11Å; V186-F200 HydrophobicContact CG1-CD1 3.98Å; V186-F200 HydrophobicContact CG1-CD2 4.46Å; V186-F200 HydrophobicContact CG1-CE1 4.49Å; V186-F200 HydrophobicContact CG1-CG 3.96Å; V186-F200 HydrophobicContact CG2-CB 3.72Å; V186-F200 HydrophobicContact CG2-CG 4.38Å; F200-T202 HydrophobicContact CD1-CG2 4.29Å; F200-T202 HydrophobicContact CE1-CG2 3.64Å; F200-T202 HydrophobicContact CZ-CG2 3.82Å
201	K	98.9	Very high	98.5	Very high	68 Å²	68	57.7 Å²	57.7	30%	0.296	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.9	177.8	-68.8	-166.7	170.2	-172.9	0	110.2	L167 Q168 C169 H170 T199 Y203 D217	L167-K201 HydrophobicContact CD1-CD 4.26Å; L167-K201 HydrophobicContact CD1-CG 4.22Å; Q168-K201 PolarHBondContact O-N 3.38Å; C169-K201 CarbonylContact C-O 3.25Å; C169-K201 VanDerWaalsContact CA-O 3.3Å; C169-K201 WeakPolarHBondContact CA-O 3.49Å; H170-K201 PolarHBondContact N-O 2.91Å; T199-K201 HydrophobicContact CG2-CG 4.18Å; K201-Y203 HydrophobicContact CB-CE2 4.03Å; K201-Y203 WeakPolarHBondContact CB-OH 3.29Å; K201-D217 HydrophobicContact CD-CB 4.02Å; K201-D217 WeakPolarHBondContact CD-OD2 3.37Å; K201-D217 IonicContact NZ-OD1 3.3Å; K201-D217 PolarHBondContact NZ-OD1 3.04Å; K201-D217 IonicContact NZ-OD2 2.61Å; K201-D217 PolarHBondContact NZ-OD2 3.15Å
202	T	98.8	Very high	98.4	Very high	77 Å²	77	62.5 Å²	62.5	47%	0.472	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.8	175.1	55.1	0	0	0	0	110.4	H170 L179 F200	H170-T202 CarbonylContact O-C 3.18Å; H170-T202 WeakPolarHBondContact O-CA 3.37Å; L179-T202 HydrophobicContact CD1-CG2 3.72Å; F200-T202 HydrophobicContact CD1-CG2 4.29Å; F200-T202 HydrophobicContact CE1-CG2 3.64Å; F200-T202 HydrophobicContact CZ-CG2 3.82Å
203	Y	98.8	Very high	98.4	Very high	16 Å²	16	67.8 Å²	67.8	6%	0.063	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.8	-176.2	-57.5	-86.2	0	0	0	110	C169 H170 D172 K201 M206 Q213 E214 D217	C169-Y203 HydrophobicContact CB-CE2 3.66Å; C169-Y203 PolarHBondContact SG-OH 3.04Å; C169-Y203 VanDerWaalsContact SG-OH 3.39Å; H170-Y203 PolarHBondContact O-N 3.42Å; D172-Y203 PolarHBondContact N-O 3.31Å; K201-Y203 HydrophobicContact CB-CE2 4.03Å; K201-Y203 WeakPolarHBondContact CB-OH 3.29Å; Y203-M206 HydrophobicContact CD2-CE 3.63Å; Y203-M206 HydrophobicContact CD2-SD 4.28Å; Y203-M206 HydrophobicContact CG-CE 4.07Å; Y203-M206 HydrophobicContact CG-SD 4.16Å; Y203-M206 WeakPolarHBondContact O-CB 3.39Å; Y203-M206 PolarHBondContact O-N 3.13Å; Y203-Q213 HydrophobicContact CD1-CB 4.22Å; Y203-Q213 HydrophobicContact CD1-CG 4.23Å; Y203-Q213 HydrophobicContact CE1-CB 4.21Å; Y203-Q213 HydrophobicContact CE1-CG 3.98Å; Y203-E214 HydrophobicContact CD1-CB 4.18Å; Y203-E214 HydrophobicContact CD2-CB 4.19Å; Y203-E214 HydrophobicContact CD2-CG 4.36Å; Y203-E214 VanDerWaalsContact CE1-CA 3.45Å; Y203-E214 HydrophobicContact CE1-CB 3.76Å; Y203-E214 HydrophobicContact CE1-CG 4.5Å; Y203-E214 HydrophobicContact CE2-CB 3.8Å; Y203-E214 HydrophobicContact CE2-CG 3.73Å; Y203-E214 HydrophobicContact CG-CB 4.39Å; Y203-E214 VanDerWaalsContact CZ-CA 3.46Å; Y203-E214 WeakPolarHBondContact OH-CA 3.49Å; Y203-D217 WeakPolarHBondContact CE1-OD2 3.22Å; Y203-D217 PolarHBondContact OH-OD2 3Å
204	E	98.6	Very high	98.5	Very high	184 Å²	184	67.5 Å²	67.5	86%	0.86	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	130.5	-176.5	-172.9	178.7	177.2	0	0	111.6	D172 M206	D172-E204 WeakPolarHBondContact OD2-CA 3.5Å; E204-M206 PolarHBondContact O-N 2.78Å
205	G	98.4	Very high	98.5	Very high	50 Å²	50	65.5 Å²	65.5	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-4	-179.2	0	0	0	0	0	114.4	D172 M207	D172-G205 PolarHBondContact OD1-N 3.48Å; G205-M207 PolarHBondContact O-N 2.85Å
206	M	98.7	Very high	98.5	Very high	14 Å²	14	65.4 Å²	65.4	7%	0.069	36%	0.355	C	S	.	.			trans	-76.6	127.2	178.6	-169.6	174.6	84.3	0	0	109.6	G171 D172 C173 Y203 E204 C211	G171-M206 CarbonylContact C-O 3.57Å; G171-M206 VanDerWaalsContact C-O 3.25Å; G171-M206 WeakPolarHBondContact CA-O 3.18Å; D172-M206 PolarHBondContact N-O 3.14Å; C173-M206 CarbonylContact C-O 3.5Å; C173-M206 WeakPolarHBondContact CA-O 3.15Å; C173-M206 PolarHBondContact N-O 3.27Å; Y203-M206 HydrophobicContact CD2-CE 3.63Å; Y203-M206 HydrophobicContact CD2-SD 4.28Å; Y203-M206 HydrophobicContact CG-CE 4.07Å; Y203-M206 HydrophobicContact CG-SD 4.16Å; Y203-M206 WeakPolarHBondContact O-CB 3.39Å; Y203-M206 PolarHBondContact O-N 3.13Å; E204-M206 PolarHBondContact O-N 2.78Å; M206-C211 HydrophobicContact CG-CB 4.48Å; M206-C211 HydrophobicContact SD-CB 3.76Å
207	M	98.6	Very high	98.5	Very high	119 Å²	119	60.1 Å²	60.1	59%	0.586	32%	0.322	S	S	*	.			trans	-89.7	-151.3	174.7	-60.2	-177.6	-178.5	0	0	110.6	C173 G205 S209	C173-M207 HydrophobicContact CB-CG 4.05Å; G205-M207 PolarHBondContact O-N 2.85Å; M207-S209 PolarHBondContact O-N 2.73Å
208	H	98.2	Very high	98.5	Very high	43 Å²	43	57.9 Å²	57.9	20%	0.199	31%	0.31	C	S	.	.	S	Bend	trans	-74.3	68.4	173.3	-158.3	60.1	0	0	0	111.9	F118 S119 D174 L176	F118-H208 AromaticContact CE1-CD2 3.86Å; F118-H208 AromaticContact CE1-CE1 3.99Å; F118-H208 AromaticContact CE1-NE2 3.5Å; F118-H208 WeakPolarHBondContact CE1-NE2 3.47Å; F118-H208 AromaticContact CZ-CD2 3.73Å; F118-H208 AromaticContact CZ-CE1 3.73Å; F118-H208 AromaticContact CZ-CG 3.96Å; F118-H208 AromaticContact CZ-ND1 3.95Å; F118-H208 AromaticContact CZ-NE2 3.61Å; S119-H208 WeakPolarHBondContact CB-NE2 3.23Å; S119-H208 PolarHBondContact OG-CE1 3.26Å; S119-H208 VanDerWaalsContact OG-CE1 3.31Å; S119-H208 PolarHBondContact OG-NE2 2.63Å; S119-H208 VanDerWaalsContact OG-NE2 3.08Å; D174-H208 WeakPolarHBondContact OD1-CB 3.31Å; D174-H208 IonicContact OD1-CG 3.6Å; D174-H208 IonicContact OD1-ND1 2.73Å; D174-H208 PolarHBondContact OD1-ND1 3.27Å; D174-H208 IonicContact OD2-CE1 2.67Å; D174-H208 IonicContact OD2-CG 3.27Å; D174-H208 IonicContact OD2-ND1 3.77Å; D174-H208 PolarHBondContact OD2-ND1 3.02Å; L176-H208 HydrophobicContact CB-CB 4.18Å; L176-H208 HydrophobicContact CD1-CB 4.04Å; L176-H208 HydrophobicContact CG-CB 4.29Å
209	S	97.8	Very high	98.5	Very high	62 Å²	62	60.6 Å²	60.6	43%	0.434	32%	0.321	S	S	.	.	S	Bend	trans	-153.1	-171.5	-178	-167.9	0	0	0	0	109.9	M207	M207-S209 PolarHBondContact O-N 2.73Å
210	S	97.1	Very high	98.5	Very high	43 Å²	43	63.4 Å²	63.4	30%	0.301	33%	0.33	S	S	.	.			trans	-109	165.6	164.9	65.7	0	0	0	0	111.3	E214	S210-E214 WeakPolarHBondContact CA-OE2 3.37Å; S210-E214 WeakPolarHBondContact CB-OE2 3.4Å
211	C	98.3	Very high	98.5	Very high	39 Å²	39	62 Å²	62	26%	0.264	32%	0.324	S	S	.	.			trans	-135.9	166.4	171.4	72.8	0	0	0	0	111.9	M206 Q213 E214 M215	M206-C211 HydrophobicContact CG-CB 4.48Å; M206-C211 HydrophobicContact SD-CB 3.76Å; C211-Q213 VanDerWaalsContact C-N 3.29Å; C211-Q213 PolarHBondContact O-N 3.31Å; C211-E214 WeakPolarHBondContact O-CB 3.14Å; C211-E214 PolarHBondContact O-N 3.21Å; C211-E214 PolarHBondContact SG-N 3.32Å; C211-E214 VanDerWaalsContact SG-N 3.39Å; C211-M215 PolarHBondContact O-N 2.81Å
212	Q	98.1	Very high	98.5	Very high	163 Å²	163	58.8 Å²	58.8	76%	0.762	31%	0.31	S	S	*	.	H	α-helix	trans	-59.3	-40.5	-179.2	-173.2	178.1	16.8	0	0	112.3	M215 M216	Q212-M215 PolarHBondContact O-N 3.46Å; Q212-M216 WeakPolarHBondContact O-CG 3.08Å; Q212-M216 PolarHBondContact O-N 2.99Å
213	Q	98.7	Very high	98.5	Very high	112 Å²	112	57.2 Å²	57.2	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-41.5	179.1	-173.4	57.2	58.7	0	0	111.4	Y203 C211 M216 D217	Y203-Q213 HydrophobicContact CD1-CB 4.22Å; Y203-Q213 HydrophobicContact CD1-CG 4.23Å; Y203-Q213 HydrophobicContact CE1-CB 4.21Å; Y203-Q213 HydrophobicContact CE1-CG 3.98Å; C211-Q213 VanDerWaalsContact C-N 3.29Å; C211-Q213 PolarHBondContact O-N 3.31Å; Q213-M216 PolarHBondContact O-N 2.98Å; Q213-D217 VanDerWaalsContact O-CG 3.3Å; Q213-D217 PolarHBondContact O-N 2.98Å
214	E	98.8	Very high	98.5	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-46.2	174	-176	-173.4	-128.6	0	0	111.4	L142 C169 Y203 S210 C211 M216 D217 V218	L142-E214 HydrophobicContact CD2-CG 4.48Å; C169-E214 HydrophobicContact CB-CG 3.9Å; C169-E214 WeakPolarHBondContact CB-OE1 3.21Å; Y203-E214 HydrophobicContact CD1-CB 4.18Å; Y203-E214 HydrophobicContact CD2-CB 4.19Å; Y203-E214 HydrophobicContact CD2-CG 4.36Å; Y203-E214 VanDerWaalsContact CE1-CA 3.45Å; Y203-E214 HydrophobicContact CE1-CB 3.76Å; Y203-E214 HydrophobicContact CE1-CG 4.5Å; Y203-E214 HydrophobicContact CE2-CB 3.8Å; Y203-E214 HydrophobicContact CE2-CG 3.73Å; Y203-E214 HydrophobicContact CG-CB 4.39Å; Y203-E214 VanDerWaalsContact CZ-CA 3.46Å; Y203-E214 WeakPolarHBondContact OH-CA 3.49Å; S210-E214 WeakPolarHBondContact CA-OE2 3.37Å; S210-E214 WeakPolarHBondContact CB-OE2 3.4Å; C211-E214 WeakPolarHBondContact O-CB 3.14Å; C211-E214 PolarHBondContact O-N 3.21Å; C211-E214 PolarHBondContact SG-N 3.32Å; C211-E214 VanDerWaalsContact SG-N 3.39Å; E214-M216 VanDerWaalsContact C-N 3.29Å; E214-M216 PolarHBondContact O-N 3.04Å; E214-D217 WeakPolarHBondContact O-CB 3.49Å; E214-D217 PolarHBondContact O-N 2.99Å; E214-D217 VanDerWaalsContact O-N 3.12Å; E214-V218 WeakPolarHBondContact O-CG2 3.32Å; E214-V218 PolarHBondContact O-N 2.67Å
215	M	98.8	Very high	98.5	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.069	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-32.2	178.5	-65.9	-53.7	-62	0	0	112.8	W37 A40 F41 I44 C211 Q212 K219	W37-M215 HydrophobicContact CZ3-SD 4.34Å; A40-M215 HydrophobicContact CB-CE 4.11Å; F41-M215 HydrophobicContact CD1-CE 4.48Å; F41-M215 HydrophobicContact CE1-CE 4.36Å; I44-M215 HydrophobicContact CD1-CE 3.72Å; I44-M215 HydrophobicContact CG1-CE 4.27Å; I44-M215 HydrophobicContact CG2-CB 4.38Å; C211-M215 PolarHBondContact O-N 2.81Å; Q212-M215 PolarHBondContact O-N 3.46Å; M215-K219 WeakPolarHBondContact O-CB 3.22Å; M215-K219 PolarHBondContact O-N 2.79Å
216	M	98.8	Very high	98.6	Very high	67 Å²	67	56 Å²	56	33%	0.33	28%	0.279	S	S	.	.	H	α-helix	trans	-68.7	-38.7	172.5	-70	-58.7	99.3	0	0	112.3	I44 Q212 Q213 E214 K219 Q220	I44-M216 HydrophobicContact CG2-CE 3.39Å; Q212-M216 WeakPolarHBondContact O-CG 3.08Å; Q212-M216 PolarHBondContact O-N 2.99Å; Q213-M216 PolarHBondContact O-N 2.98Å; E214-M216 VanDerWaalsContact C-N 3.29Å; E214-M216 PolarHBondContact O-N 3.04Å; M216-K219 HydrophobicContact CE-CD 4.44Å; M216-K219 WeakPolarHBondContact O-CB 3.4Å; M216-K219 PolarHBondContact O-N 2.9Å; M216-Q220 WeakPolarHBondContact O-CG 3.5Å; M216-Q220 PolarHBondContact O-N 3.33Å
217	D	98.9	Very high	98.5	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.064	29%	0.294	C	S	.	.	H	α-helix	trans	-66.2	-43.2	175.5	-68.1	-35.9	0	0	0	111.6	L167 K201 Y203 Q213 E214 K219 Q220 F221	L167-D217 HydrophobicContact CD2-CB 4.49Å; K201-D217 HydrophobicContact CD-CB 4.02Å; K201-D217 WeakPolarHBondContact CD-OD2 3.37Å; K201-D217 IonicContact NZ-OD1 3.3Å; K201-D217 PolarHBondContact NZ-OD1 3.04Å; K201-D217 IonicContact NZ-OD2 2.61Å; K201-D217 PolarHBondContact NZ-OD2 3.15Å; Y203-D217 WeakPolarHBondContact CE1-OD2 3.22Å; Y203-D217 PolarHBondContact OH-OD2 3Å; Q213-D217 VanDerWaalsContact O-CG 3.3Å; Q213-D217 PolarHBondContact O-N 2.98Å; E214-D217 WeakPolarHBondContact O-CB 3.49Å; E214-D217 PolarHBondContact O-N 2.99Å; E214-D217 VanDerWaalsContact O-N 3.12Å; D217-K219 VanDerWaalsContact C-N 3.32Å; D217-K219 PolarHBondContact O-N 3.33Å; D217-Q220 PolarHBondContact O-N 2.93Å; D217-F221 WeakPolarHBondContact O-CB 3.36Å; D217-F221 PolarHBondContact O-N 3.01Å
218	V	98.9	Very high	98.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-44.9	172.5	167.3	0	0	0	0	110.5	F41 I44 T140 L142 L167 E214 F221 I222	F41-V218 HydrophobicContact CE1-CG1 4.01Å; F41-V218 HydrophobicContact CZ-CG1 4.46Å; I44-V218 HydrophobicContact CD1-CG1 4.15Å; T140-V218 HydrophobicContact CG2-CG1 4.31Å; L142-V218 HydrophobicContact CD2-CG2 3.9Å; L167-V218 HydrophobicContact CD2-CG2 4.08Å; E214-V218 WeakPolarHBondContact O-CG2 3.32Å; E214-V218 PolarHBondContact O-N 2.67Å; V218-F221 PolarHBondContact O-N 3.21Å; V218-I222 HydrophobicContact CG1-CD1 3.57Å; V218-I222 HydrophobicContact CG1-CG1 4.38Å; V218-I222 WeakPolarHBondContact O-CB 3.2Å; V218-I222 VanDerWaalsContact O-CG1 3.27Å; V218-I222 WeakPolarHBondContact O-CG1 3.38Å; V218-I222 PolarHBondContact O-N 2.84Å
219	K	98.8	Very high	98.2	Very high	68 Å²	68	59.8 Å²	59.8	30%	0.296	31%	0.31	S	S	.	.	H	α-helix	trans	-57.7	-51.2	175.9	-174.6	-172.8	-173.8	-57.5	0	111.7	I44 M215 M216 D217 F221 I222 D223	I44-K219 HydrophobicContact CB-CB 4.05Å; I44-K219 HydrophobicContact CB-CD 4.03Å; I44-K219 HydrophobicContact CB-CG 4.05Å; I44-K219 HydrophobicContact CD1-CB 3.94Å; I44-K219 HydrophobicContact CG2-CB 4.41Å; I44-K219 HydrophobicContact CG2-CD 4.42Å; M215-K219 WeakPolarHBondContact O-CB 3.22Å; M215-K219 PolarHBondContact O-N 2.79Å; M216-K219 HydrophobicContact CE-CD 4.44Å; M216-K219 WeakPolarHBondContact O-CB 3.4Å; M216-K219 PolarHBondContact O-N 2.9Å; D217-K219 VanDerWaalsContact C-N 3.32Å; D217-K219 PolarHBondContact O-N 3.33Å; K219-F221 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 2.86Å; K219-I222 PolarHBondContact O-N 3.5Å; K219-D223 IonicContact NZ-OD2 3.6Å; K219-D223 PolarHBondContact NZ-OD2 3.21Å; K219-D223 WeakPolarHBondContact O-CB 3.18Å; K219-D223 PolarHBondContact O-N 3.38Å
220	Q	98.9	Very high	96.7	Very high	123 Å²	123	67.7 Å²	67.7	58%	0.575	35%	0.348	S	S	*	.	H	α-helix	trans	-60.7	-40.5	-179.8	-71.6	175.4	17.1	0	0	111.9	M216 D217 K224	M216-Q220 WeakPolarHBondContact O-CG 3.5Å; M216-Q220 PolarHBondContact O-N 3.33Å; D217-Q220 PolarHBondContact O-N 2.93Å; Q220-K224 VanDerWaalsContact O-CB 3.23Å; Q220-K224 WeakPolarHBondContact O-CB 3.12Å; Q220-K224 PolarHBondContact O-N 3.42Å
221	F	98.9	Very high	96.7	Very high	28 Å²	28	69 Å²	69	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-48.1	176.4	179.7	-96.3	0	0	0	112.1	I114 T140 L167 D217 V218 K219 K224 L225	I114-F221 HydrophobicContact CD1-CD1 4.38Å; I114-F221 HydrophobicContact CD1-CE1 4.29Å; T140-F221 HydrophobicContact CG2-CD1 3.51Å; T140-F221 HydrophobicContact CG2-CE1 3.72Å; L167-F221 HydrophobicContact CB-CB 4.44Å; L167-F221 HydrophobicContact CB-CD1 4.1Å; L167-F221 HydrophobicContact CB-CD2 3.66Å; L167-F221 HydrophobicContact CB-CE1 4.19Å; L167-F221 HydrophobicContact CB-CE2 3.76Å; L167-F221 HydrophobicContact CB-CG 3.82Å; L167-F221 HydrophobicContact CB-CZ 4.01Å; L167-F221 HydrophobicContact CD2-CB 3.78Å; L167-F221 HydrophobicContact CD2-CD2 4.49Å; L167-F221 HydrophobicContact CD2-CG 4.06Å; D217-F221 WeakPolarHBondContact O-CB 3.36Å; D217-F221 PolarHBondContact O-N 3.01Å; V218-F221 PolarHBondContact O-N 3.21Å; K219-F221 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 2.86Å; F221-K224 PolarHBondContact O-N 3.02Å; F221-L225 HydrophobicContact CD1-CD1 3.98Å; F221-L225 HydrophobicContact CD2-CD1 4.17Å; F221-L225 HydrophobicContact CE1-CD1 3.45Å; F221-L225 VanDerWaalsContact CE1-CD1 3.45Å; F221-L225 HydrophobicContact CE2-CD1 3.67Å; F221-L225 HydrophobicContact CG-CD1 4.32Å; F221-L225 HydrophobicContact CZ-CD1 3.29Å; F221-L225 WeakPolarHBondContact O-CG 3.41Å; F221-L225 PolarHBondContact O-N 3.27Å; F221-L225 VanDerWaalsContact O-N 3.15Å
222	I	98.9	Very high	96.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-50.9	177.8	-70.8	167	0	0	0	110.6	V24 F41 I49 Y51 I114 V218 K219 K224 L225 L226	V24-I222 HydrophobicContact CG2-CD1 4.06Å; V24-I222 HydrophobicContact CG2-CG1 4.33Å; V24-I222 HydrophobicContact CG2-CG2 4.08Å; F41-I222 HydrophobicContact CE1-CD1 3.91Å; I49-I222 HydrophobicContact CD1-CG2 3.6Å; Y51-I222 HydrophobicContact CE1-CD1 4.34Å; I114-I222 HydrophobicContact CD1-CB 4.24Å; I114-I222 HydrophobicContact CD1-CG1 3.89Å; I114-I222 HydrophobicContact CD1-CG2 4.44Å; V218-I222 HydrophobicContact CG1-CD1 3.57Å; V218-I222 HydrophobicContact CG1-CG1 4.38Å; V218-I222 WeakPolarHBondContact O-CB 3.2Å; V218-I222 VanDerWaalsContact O-CG1 3.27Å; V218-I222 WeakPolarHBondContact O-CG1 3.38Å; V218-I222 PolarHBondContact O-N 2.84Å; K219-I222 PolarHBondContact O-N 3.5Å; I222-K224 VanDerWaalsContact C-N 3.3Å; I222-K224 PolarHBondContact O-N 3.39Å; I222-L225 PolarHBondContact O-N 3.49Å; I222-L226 HydrophobicContact CG2-CD1 4.3Å; I222-L226 WeakPolarHBondContact O-CB 3.41Å; I222-L226 PolarHBondContact O-N 3.18Å
223	D	98.7	Very high	96.6	Very high	45 Å²	45	65.4 Å²	65.4	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-35.3	-176.7	-73.2	-21.9	0	0	0	112.4	K219 L226	K219-D223 IonicContact NZ-OD2 3.6Å; K219-D223 PolarHBondContact NZ-OD2 3.21Å; K219-D223 WeakPolarHBondContact O-CB 3.18Å; K219-D223 PolarHBondContact O-N 3.38Å; D223-L226 CarbonylContact O-C 3.52Å
224	K	98.7	Very high	96.4	Very high	178 Å²	178	62.6 Å²	62.6	77%	0.774	32%	0.321	S	S	*	.	H	α-helix	trans	-67.7	-41	177.2	-177.9	178.8	178	-177.6	0	112.3	Q220 F221 I222	Q220-K224 VanDerWaalsContact O-CB 3.23Å; Q220-K224 WeakPolarHBondContact O-CB 3.12Å; Q220-K224 PolarHBondContact O-N 3.42Å; F221-K224 PolarHBondContact O-N 3.02Å; I222-K224 VanDerWaalsContact C-N 3.3Å; I222-K224 PolarHBondContact O-N 3.39Å
225	L	98.8	Very high	96.3	Very high	46 Å²	46	66.6 Å²	66.6	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-85.4	-26	-177	-68.4	178.3	0	0	0	113.1	I114 F221 I222 P227	I114-L225 HydrophobicContact CD1-CB 4.13Å; I114-L225 HydrophobicContact CD1-CD1 4.21Å; F221-L225 HydrophobicContact CD1-CD1 3.98Å; F221-L225 HydrophobicContact CD2-CD1 4.17Å; F221-L225 HydrophobicContact CE1-CD1 3.45Å; F221-L225 VanDerWaalsContact CE1-CD1 3.45Å; F221-L225 HydrophobicContact CE2-CD1 3.67Å; F221-L225 HydrophobicContact CG-CD1 4.32Å; F221-L225 HydrophobicContact CZ-CD1 3.29Å; F221-L225 WeakPolarHBondContact O-CG 3.41Å; F221-L225 PolarHBondContact O-N 3.27Å; F221-L225 VanDerWaalsContact O-N 3.15Å; I222-L225 PolarHBondContact O-N 3.49Å; L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.5Å
226	L	98.7	Very high	96.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-118.8	59.4	-179.8	-57	179.3	0	0	0	110.7	A22 V24 H48 I49 R112 I114 A137 I222 D223	A22-L226 HydrophobicContact CB-CB 3.99Å; A22-L226 HydrophobicContact CB-CD1 3.92Å; A22-L226 HydrophobicContact CB-CD2 4.13Å; A22-L226 HydrophobicContact CB-CG 4.24Å; V24-L226 HydrophobicContact CG2-CD1 4.37Å; H48-L226 PolarHBondContact NE2-O 3.43Å; I49-L226 HydrophobicContact CD1-CB 3.82Å; I49-L226 HydrophobicContact CD1-CD1 4.18Å; R112-L226 HydrophobicContact CB-CD2 4.43Å; R112-L226 WeakPolarHBondContact O-CD2 3.2Å; I114-L226 HydrophobicContact CB-CD1 4.35Å; I114-L226 HydrophobicContact CD1-CD1 3.71Å; I114-L226 HydrophobicContact CD1-CG 3.87Å; I114-L226 HydrophobicContact CG1-CD1 3.85Å; I114-L226 HydrophobicContact CG1-CG 4.17Å; A137-L226 HydrophobicContact CB-CD2 3.63Å; I222-L226 HydrophobicContact CG2-CD1 4.3Å; I222-L226 WeakPolarHBondContact O-CB 3.41Å; I222-L226 PolarHBondContact O-N 3.18Å; D223-L226 CarbonylContact O-C 3.52Å
227	P	98.3	Very high	95.9	Very high	62 Å²	62	70.3 Å²	70.3	40%	0.403	36%	0.361	S	S	.	.			trans	-62.3	158.8	178.6	28.9	-36.3	0	0	0	110.9	R112 L225	R112-P227 VanDerWaalsContact CZ-O 3.25Å; R112-P227 PolarHBondContact NH1-O 3.14Å; R112-P227 PolarHBondContact NH2-O 2.78Å; L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.5Å
228	P	96.7	Very high	95.7	Very high	91 Å²	91	74.8 Å²	74.8	59%	0.591	38%	0.384	S	S	*	.			trans	-52.1	146.3	167.9	-21.7	32	0	0	0	110.9
229	I	91.9	Very high	95.4	Very high	102 Å²	102	81 Å²	81	52%	0.523	42%	0.416	S	S	.	.			trans	-113.5	126.3	169.2	-57	171.3	0	0	0	104.6	R112	R112-I229 VanDerWaalsContact CZ-CD1 3.47Å
230	D	68.1	Low	95.1	Very high	229 Å²	229	82.2 Å²	82.2	100%	1.225	43%	0.427	S	S	*	.			trans	-67.6	0	175.8	-64.6	-35.6	0	0	0	111.9

Retrieved 230 of 230 residues in 72.5 ms (Link to these results)

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