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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 , UniProt , Accession A0A087X1K9, Species HUMAN (Homo sapiens, Human), Gene LYPLA1, Length 166 aa.

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(Predicted Aligned Error values between residue pairs)

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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	45.4	Very low	82.1	Confident	227 Å²	227	119.4 Å²	119.4	100%	1.118	66%	0.659	S	S	*	*				0	117.5	0	-81.7	-176.3	-84.2	0	0	106.7	V3	M1-V3 PolarHBondContact O-N 3.06Å
2	N	60	Low	82.5	Confident	174 Å²	174	117.6 Å²	117.6	93%	0.93	65%	0.646	S	S	*	*			trans	-75.1	111.1	171.3	-77.6	5.8	0	0	0	107.6
3	V	68.4	Low	82.4	Confident	111 Å²	111	110.9 Å²	110.9	67%	0.673	62%	0.621	S	S	*	*			trans	-94.7	119.4	176	-175.5	0	0	0	0	107	M1 M5	M1-V3 PolarHBondContact O-N 3.06Å; V3-M5 PolarHBondContact O-N 3.28Å
4	A	78	Confident	81.8	Confident	108 Å²	108	112.1 Å²	112.1	89%	0.893	62%	0.624	S	S	*	*			trans	-74.2	114	175.1	0	0	0	0	0	109.1
5	M	86.8	Confident	81.8	Confident	140 Å²	140	108.4 Å²	108.4	69%	0.69	61%	0.609	S	S	*	*			trans	-145.2	158.2	176.8	57.5	-171.7	-72	0	0	109.3	V3 S7	V3-M5 PolarHBondContact O-N 3.28Å; M5-S7 PolarHBondContact O-N 3.39Å
6	P	93.3	Very high	81.4	Confident	132 Å²	132	104 Å²	104	86%	0.857	59%	0.586	S	S	*	*			trans	-56.9	125.9	175.9	-23.6	34.5	0	0	0	110.6
7	S	94.8	Very high	81.4	Confident	60 Å²	60	106.4 Å²	106.4	42%	0.42	60%	0.598	S	S	.	*			trans	-148.3	146.4	-178.2	-166.5	0	0	0	0	109.7	M5 F9 Q56	M5-S7 PolarHBondContact O-N 3.39Å; S7-F9 PolarHBondContact OG-O 3Å; S7-Q56 PolarHBondContact OG-NE2 3.38Å; S7-Q56 PolarHBondContact OG-OE1 2.88Å
8	W	96.9	Very high	81.7	Confident	147 Å²	147	102.4 Å²	102.4	56%	0.557	58%	0.578	S	S	*	*	S	Bend	trans	-76.1	-35.9	174.2	-67.7	107.4	0	0	0	112.6	A28 I32 Q56 L60	W8-A28 WeakPolarHBondContact O-CB 3.47Å; W8-I32 HydrophobicContact CZ3-CD1 4.29Å; W8-Q56 HydrophobicContact CB-CG 4.29Å; W8-L60 HydrophobicContact CB-CD2 4.03Å; W8-L60 HydrophobicContact CD2-CD2 3.87Å; W8-L60 HydrophobicContact CE3-CD2 3.81Å; W8-L60 HydrophobicContact CG-CD2 3.98Å
9	F	95.8	Very high	82.2	Confident	12 Å²	12	104.9 Å²	104.9	5%	0.053	58%	0.584	C	S	.	*	S	Bend	trans	-156.4	166.7	178.1	51.4	-98.5	0	0	0	109.2	S7 I25 Q56 A59 L60 W81	S7-F9 PolarHBondContact OG-O 3Å; F9-I25 HydrophobicContact CB-CG1 4.1Å; F9-I25 HydrophobicContact CD1-CG1 3.8Å; F9-I25 HydrophobicContact CD2-CD1 4.16Å; F9-I25 HydrophobicContact CD2-CG1 3.53Å; F9-I25 HydrophobicContact CE1-CG1 4.03Å; F9-I25 HydrophobicContact CE2-CD1 4.13Å; F9-I25 HydrophobicContact CE2-CG1 3.78Å; F9-I25 HydrophobicContact CG-CG1 3.54Å; F9-I25 HydrophobicContact CZ-CG1 4.02Å; F9-Q56 HydrophobicContact CD1-CG 4.25Å; F9-Q56 HydrophobicContact CE1-CG 3.62Å; F9-Q56 HydrophobicContact CE2-CG 3.97Å; F9-Q56 HydrophobicContact CZ-CG 3.47Å; F9-Q56 VanDerWaalsContact CZ-CG 3.47Å; F9-Q56 PolarHBondContact O-NE2 3.46Å; F9-A59 HydrophobicContact CZ-CB 4.48Å; F9-L60 HydrophobicContact CE1-CB 4.23Å; F9-W81 HydrophobicContact CE2-CZ2 4.23Å; F9-W81 HydrophobicContact CZ-CZ2 4.14Å
10	D	94.1	Very high	82.8	Confident	113 Å²	113	102.6 Å²	102.6	60%	0.604	57%	0.568	S	S	*	*			trans	-73.1	136.8	-176.6	-78.2	-9.4	0	0	0	112.2	D21	D10-D21 HydrophobicContact CB-CB 3.98Å; D10-D21 PolarHBondContact N-OD2 3.2Å; D10-D21 VanDerWaalsContact N-OD2 3.11Å; D10-D21 WeakPolarHBondContact O-CB 3.3Å
11	I	89.3	Confident	83.4	Confident	89 Å²	89	99 Å²	99	46%	0.456	55%	0.548	S	S	.	.			trans	-97.6	108.5	172.8	-59.9	-179.8	0	0	0	108.2	L14	I11-L14 HydrophobicContact CG2-CD2 3.92Å
12	I	87.5	Confident	85.9	Confident	98 Å²	98	92.6 Å²	92.6	50%	0.503	52%	0.516	S	S	.	.			trans	-88.9	-32.9	-178.2	-54.6	173.2	0	0	0	111.2	Q19 D21	I12-Q19 WeakPolarHBondContact CB-O 3.44Å; I12-Q19 HydrophobicContact CD1-CG 4.21Å; I12-Q19 HydrophobicContact CG2-CB 4.43Å; I12-D21 HydrophobicContact CD1-CB 4.25Å
13	G	81.4	Confident	87.6	Confident	31 Å²	31	88.6 Å²	88.6	32%	0.32	50%	0.502	S	S	.	.			trans	-158.1	167.7	178.4	0	0	0	0	0	112.9	S18	G13-S18 WeakPolarHBondContact CA-OG 3.46Å
14	L	73.3	Confident	89.1	Confident	127 Å²	127	84.1 Å²	84.1	67%	0.665	48%	0.478	S	S	*	.	S	Bend	trans	-119.1	26.6	-174.6	-63.4	173.4	0	0	0	112.1	I11 F117	I11-L14 HydrophobicContact CG2-CD2 3.92Å; L14-F117 VanDerWaalsContact O-CZ 3.29Å; L14-F117 WeakPolarHBondContact O-CZ 3.29Å
15	S	81.9	Confident	90	Very high	57 Å²	57	79 Å²	79	40%	0.399	44%	0.435	S	S	.	.	S	Bend	trans	-114.1	156.1	172.7	78.8	0	0	0	0	111.2	D17 S18	S15-D17 PolarHBondContact O-N 3.45Å; S15-D17 VanDerWaalsContact O-N 3.1Å; S15-S18 WeakPolarHBondContact CB-OG 3.29Å; S15-S18 PolarHBondContact N-OG 3.34Å; S15-S18 VanDerWaalsContact O-CB 3.27Å; S15-S18 WeakPolarHBondContact O-CB 3.47Å; S15-S18 PolarHBondContact O-N 2.95Å; S15-S18 PolarHBondContact O-OG 3.24Å; S15-S18 PolarHBondContact OG-N 3.32Å; S15-S18 VanDerWaalsContact OG-N 3.13Å; S15-S18 PolarHBondContact OG-OG 2.88Å
16	P	75.7	Confident	90.6	Very high	38 Å²	38	76.5 Å²	76.5	25%	0.247	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.4	178.9	-21.1	32.8	0	0	0	114.6	M116 F117 L120	P16-M116 HydrophobicContact CG-CE 3.73Å; P16-F117 VanDerWaalsContact CD-CE1 3.47Å; P16-F117 HydrophobicContact CG-CD1 3.83Å; P16-F117 HydrophobicContact CG-CE1 3.38Å; P16-F117 HydrophobicContact CG-CE2 4.35Å; P16-F117 HydrophobicContact CG-CZ 3.69Å; P16-L120 HydrophobicContact CB-CD1 4.24Å; P16-L120 HydrophobicContact CG-CD1 4.42Å
17	D	81.6	Confident	90.8	Very high	145 Å²	145	75.6 Å²	75.6	78%	0.775	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	7.1	-178.5	-53.4	-47.3	0	0	0	111.8	S15	S15-D17 PolarHBondContact O-N 3.45Å; S15-D17 VanDerWaalsContact O-N 3.1Å
18	S	86.9	Confident	91	Very high	34 Å²	34	73.1 Å²	73.1	24%	0.238	39%	0.388	C	S	.	.	S	Bend	trans	-64.2	146.7	173.8	-71	0	0	0	0	110	G13 S15	G13-S18 WeakPolarHBondContact CA-OG 3.46Å; S15-S18 WeakPolarHBondContact CB-OG 3.29Å; S15-S18 PolarHBondContact N-OG 3.34Å; S15-S18 VanDerWaalsContact O-CB 3.27Å; S15-S18 WeakPolarHBondContact O-CB 3.47Å; S15-S18 PolarHBondContact O-N 2.95Å; S15-S18 PolarHBondContact O-OG 3.24Å; S15-S18 PolarHBondContact OG-N 3.32Å; S15-S18 VanDerWaalsContact OG-N 3.13Å; S15-S18 PolarHBondContact OG-OG 2.88Å
19	Q	90.6	Very high	91.1	Very high	151 Å²	151	66.1 Å²	66.1	71%	0.706	36%	0.362	S	S	*	.			trans	-59.8	142.3	166.9	-172.9	176.2	-4.7	0	0	109.5	I12	I12-Q19 WeakPolarHBondContact CB-O 3.44Å; I12-Q19 HydrophobicContact CD1-CG 4.21Å; I12-Q19 HydrophobicContact CG2-CB 4.43Å
20	E	94.4	Very high	91.2	Very high	57 Å²	57	70.1 Å²	70.1	27%	0.266	38%	0.381	S	S	.	.			trans	-114.4	152	176.2	-65.7	-177.6	106.1	0	0	110.2	E22 I25 W81 P83 L84	E20-E22 PolarHBondContact O-N 3.45Å; E20-I25 HydrophobicContact CB-CD1 3.92Å; E20-W81 PolarHBondContact OE1-NE1 2.86Å; E20-P83 VanDerWaalsContact OE1-CA 3.27Å; E20-P83 WeakPolarHBondContact OE1-CA 3.25Å; E20-P83 WeakPolarHBondContact OE1-CB 3.12Å; E20-L84 HydrophobicContact CB-CD2 4Å; E20-L84 VanDerWaalsContact OE2-CA 3.31Å; E20-L84 WeakPolarHBondContact OE2-CA 3.13Å; E20-L84 PolarHBondContact OE2-N 2.97Å
21	D	95.6	Very high	91.5	Very high	28 Å²	28	69.4 Å²	69.4	15%	0.15	38%	0.377	C	S	.	.			trans	-75.5	76.3	173.1	174.7	19.1	0	0	0	110.4	D10 I12 S23 G24 I25	D10-D21 HydrophobicContact CB-CB 3.98Å; D10-D21 PolarHBondContact N-OD2 3.2Å; D10-D21 VanDerWaalsContact N-OD2 3.11Å; D10-D21 WeakPolarHBondContact O-CB 3.3Å; I12-D21 HydrophobicContact CD1-CB 4.25Å; D21-S23 PolarHBondContact O-N 2.84Å; D21-S23 PolarHBondContact OD1-OG 3.46Å; D21-G24 VanDerWaalsContact CG-N 3.35Å; D21-G24 PolarHBondContact O-N 3.17Å; D21-G24 PolarHBondContact OD1-N 3.24Å; D21-G24 VanDerWaalsContact OD2-CA 3.26Å; D21-G24 WeakPolarHBondContact OD2-CA 3.44Å; D21-G24 PolarHBondContact OD2-N 2.71Å; D21-I25 WeakPolarHBondContact O-CB 3.42Å; D21-I25 WeakPolarHBondContact O-CD1 3.31Å; D21-I25 VanDerWaalsContact O-CG1 3.27Å; D21-I25 WeakPolarHBondContact O-CG1 3.42Å; D21-I25 PolarHBondContact O-N 3.38Å
22	E	96.6	Very high	91.9	Very high	93 Å²	93	66.7 Å²	66.7	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-54.6	-40.9	-177.7	176.6	171.7	-179	0	0	112.4	E20 K26 L84	E20-E22 PolarHBondContact O-N 3.45Å; E22-K26 HydrophobicContact CG-CD 4.17Å; E22-K26 WeakPolarHBondContact O-CB 3.32Å; E22-K26 WeakPolarHBondContact O-CG 3.46Å; E22-K26 PolarHBondContact O-N 3.18Å; E22-K26 VanDerWaalsContact OE1-CE 3.24Å; E22-K26 WeakPolarHBondContact OE1-CE 3.37Å; E22-K26 IonicContact OE1-NZ 3.56Å; E22-K26 PolarHBondContact OE1-NZ 3.21Å; E22-L84 HydrophobicContact CB-CD1 4.25Å; E22-L84 HydrophobicContact CB-CD2 3.87Å; E22-L84 HydrophobicContact CG-CD1 3.8Å; E22-L84 HydrophobicContact CG-CD2 4.15Å
23	S	97.8	Very high	92.4	Very high	90 Å²	90	63.2 Å²	63.2	63%	0.629	34%	0.344	S	S	*	.	H	α-helix	trans	-62	-49.9	176.7	34.9	0	0	0	0	112.3	D21 K26 Q27	D21-S23 PolarHBondContact O-N 2.84Å; D21-S23 PolarHBondContact OD1-OG 3.46Å; S23-K26 PolarHBondContact O-N 2.97Å; S23-Q27 WeakPolarHBondContact O-CB 3.3Å; S23-Q27 PolarHBondContact O-N 3.19Å
24	G	98	Very high	93.3	Very high	17 Å²	17	64.4 Å²	64.4	18%	0.175	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-38.9	-179.1	0	0	0	0	0	112.4	D21 K26 Q27 A28	D21-G24 VanDerWaalsContact CG-N 3.35Å; D21-G24 PolarHBondContact O-N 3.17Å; D21-G24 PolarHBondContact OD1-N 3.24Å; D21-G24 VanDerWaalsContact OD2-CA 3.26Å; D21-G24 WeakPolarHBondContact OD2-CA 3.44Å; D21-G24 PolarHBondContact OD2-N 2.71Å; G24-K26 PolarHBondContact O-N 3.19Å; G24-Q27 PolarHBondContact O-N 2.97Å; G24-A28 VanDerWaalsContact O-CB 3.25Å; G24-A28 WeakPolarHBondContact O-CB 3.31Å; G24-A28 PolarHBondContact O-N 3.44Å
25	I	98.4	Very high	94.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-49.1	174.8	-69.3	158.5	0	0	0	110.4	F9 E20 D21 A28 A29 Y63 P83 L84	F9-I25 HydrophobicContact CB-CG1 4.1Å; F9-I25 HydrophobicContact CD1-CG1 3.8Å; F9-I25 HydrophobicContact CD2-CD1 4.16Å; F9-I25 HydrophobicContact CD2-CG1 3.53Å; F9-I25 HydrophobicContact CE1-CG1 4.03Å; F9-I25 HydrophobicContact CE2-CD1 4.13Å; F9-I25 HydrophobicContact CE2-CG1 3.78Å; F9-I25 HydrophobicContact CG-CG1 3.54Å; F9-I25 HydrophobicContact CZ-CG1 4.02Å; E20-I25 HydrophobicContact CB-CD1 3.92Å; D21-I25 WeakPolarHBondContact O-CB 3.42Å; D21-I25 WeakPolarHBondContact O-CD1 3.31Å; D21-I25 VanDerWaalsContact O-CG1 3.27Å; D21-I25 WeakPolarHBondContact O-CG1 3.42Å; D21-I25 PolarHBondContact O-N 3.38Å; I25-A28 PolarHBondContact O-N 3.42Å; I25-A29 WeakPolarHBondContact O-CB 3.44Å; I25-A29 PolarHBondContact O-N 2.96Å; I25-Y63 HydrophobicContact CG2-CD1 3.9Å; I25-Y63 HydrophobicContact CG2-CD2 4.23Å; I25-Y63 HydrophobicContact CG2-CE1 4.08Å; I25-Y63 HydrophobicContact CG2-CE2 4.41Å; I25-Y63 HydrophobicContact CG2-CG 3.97Å; I25-P83 HydrophobicContact CD1-CB 3.94Å; I25-P83 HydrophobicContact CG2-CB 4.4Å; I25-P83 HydrophobicContact CG2-CG 4.23Å; I25-L84 HydrophobicContact CB-CD1 4.39Å; I25-L84 HydrophobicContact CD1-CD1 4.48Å; I25-L84 HydrophobicContact CD1-CD2 4.17Å; I25-L84 HydrophobicContact CD1-CG 4.08Å; I25-L84 HydrophobicContact CG2-CD1 4.05Å; I25-L84 HydrophobicContact CG2-CG 4.48Å
26	K	98.5	Very high	95.3	Very high	87 Å²	87	60.1 Å²	60.1	38%	0.378	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-45.6	178	-75	177.7	-176	175.9	0	111.5	E22 S23 G24 A28 A29 E30 Y63	E22-K26 HydrophobicContact CG-CD 4.17Å; E22-K26 WeakPolarHBondContact O-CB 3.32Å; E22-K26 WeakPolarHBondContact O-CG 3.46Å; E22-K26 PolarHBondContact O-N 3.18Å; E22-K26 VanDerWaalsContact OE1-CE 3.24Å; E22-K26 WeakPolarHBondContact OE1-CE 3.37Å; E22-K26 IonicContact OE1-NZ 3.56Å; E22-K26 PolarHBondContact OE1-NZ 3.21Å; S23-K26 PolarHBondContact O-N 2.97Å; G24-K26 PolarHBondContact O-N 3.19Å; K26-A28 PolarHBondContact O-N 2.91Å; K26-A29 WeakPolarHBondContact O-CB 3.46Å; K26-A29 PolarHBondContact O-N 3.49Å; K26-E30 WeakPolarHBondContact O-CG 3.36Å; K26-E30 PolarHBondContact O-N 3.38Å; K26-Y63 HydrophobicContact CG-CE1 4.34Å; K26-Y63 WeakPolarHBondContact CG-OH 3.41Å
27	Q	98.6	Very high	96.3	Very high	113 Å²	113	62 Å²	62	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-43.7	179.3	-176	58.9	66.4	0	0	112	S23 G24 A29 E30 N31	S23-Q27 WeakPolarHBondContact O-CB 3.3Å; S23-Q27 PolarHBondContact O-N 3.19Å; G24-Q27 PolarHBondContact O-N 2.97Å; Q27-A29 VanDerWaalsContact C-N 3.31Å; Q27-A29 PolarHBondContact O-N 2.94Å; Q27-E30 PolarHBondContact O-N 3.35Å; Q27-N31 PolarHBondContact NE2-OD1 3.06Å; Q27-N31 VanDerWaalsContact O-CG 3.28Å; Q27-N31 PolarHBondContact O-N 2.82Å; Q27-N31 VanDerWaalsContact O-N 3.13Å; Q27-N31 PolarHBondContact O-ND2 3.03Å; Q27-N31 PolarHBondContact O-OD1 3.08Å
28	A	98.6	Very high	97.1	Very high	8 Å²	8	60.3 Å²	60.3	7%	0.066	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-40.8	175.4	0	0	0	0	0	111	W8 G24 I25 K26 N31 I32 L60	W8-A28 WeakPolarHBondContact O-CB 3.47Å; G24-A28 VanDerWaalsContact O-CB 3.25Å; G24-A28 WeakPolarHBondContact O-CB 3.31Å; G24-A28 PolarHBondContact O-N 3.44Å; I25-A28 PolarHBondContact O-N 3.42Å; K26-A28 PolarHBondContact O-N 2.91Å; A28-N31 WeakPolarHBondContact O-CB 3.34Å; A28-N31 PolarHBondContact O-N 3.16Å; A28-I32 WeakPolarHBondContact O-CG1 3.49Å; A28-I32 PolarHBondContact O-N 3.46Å; A28-I32 VanDerWaalsContact O-N 3.11Å; A28-L60 HydrophobicContact CB-CD1 3.75Å; A28-L60 HydrophobicContact CB-CD2 3.9Å
29	A	98.7	Very high	97.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-40.2	177.6	0	0	0	0	0	112.1	I25 K26 Q27 N31 I32 K33 L60 Y63	I25-A29 WeakPolarHBondContact O-CB 3.44Å; I25-A29 PolarHBondContact O-N 2.96Å; K26-A29 WeakPolarHBondContact O-CB 3.46Å; K26-A29 PolarHBondContact O-N 3.49Å; Q27-A29 VanDerWaalsContact C-N 3.31Å; Q27-A29 PolarHBondContact O-N 2.94Å; A29-N31 VanDerWaalsContact C-N 3.29Å; A29-N31 PolarHBondContact O-N 2.74Å; A29-I32 PolarHBondContact O-N 3.22Å; A29-K33 VanDerWaalsContact O-CG 3.29Å; A29-K33 WeakPolarHBondContact O-CG 3.43Å; A29-K33 PolarHBondContact O-N 3.47Å; A29-L60 HydrophobicContact CB-CD1 4.13Å; A29-Y63 HydrophobicContact CB-CD1 3.66Å; A29-Y63 HydrophobicContact CB-CE1 3.9Å
30	E	98.7	Very high	98.1	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-36.8	173.9	-67.1	-48.7	125.3	0	0	112.1	K26 Q27 I32 K33 A34	K26-E30 WeakPolarHBondContact O-CG 3.36Å; K26-E30 PolarHBondContact O-N 3.38Å; Q27-E30 PolarHBondContact O-N 3.35Å; E30-I32 PolarHBondContact O-N 3.11Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-K33 WeakPolarHBondContact OE1-CD 3.34Å; E30-K33 IonicContact OE1-NZ 2.72Å; E30-K33 PolarHBondContact OE1-NZ 3.29Å; E30-A34 PolarHBondContact O-N 3.14Å
31	N	98.7	Very high	98.3	Very high	97 Å²	97	62.7 Å²	62.7	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-41.6	174.5	-61.8	-18.6	0	0	0	111.7	Q27 A28 A29 A34 L35	Q27-N31 PolarHBondContact NE2-OD1 3.06Å; Q27-N31 VanDerWaalsContact O-CG 3.28Å; Q27-N31 PolarHBondContact O-N 2.82Å; Q27-N31 VanDerWaalsContact O-N 3.13Å; Q27-N31 PolarHBondContact O-ND2 3.03Å; Q27-N31 PolarHBondContact O-OD1 3.08Å; A28-N31 WeakPolarHBondContact O-CB 3.34Å; A28-N31 PolarHBondContact O-N 3.16Å; A29-N31 VanDerWaalsContact C-N 3.29Å; A29-N31 PolarHBondContact O-N 2.74Å; N31-A34 PolarHBondContact O-N 2.87Å; N31-L35 PolarHBondContact O-N 3.17Å
32	I	98.8	Very high	98.4	Very high	32 Å²	32	66.6 Å²	66.6	16%	0.164	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-38.7	175.8	-57.2	-56.4	0	0	0	111.1	W8 A28 A29 E30 A34 L35 I36 L51 L60 T64	W8-I32 HydrophobicContact CZ3-CD1 4.29Å; A28-I32 WeakPolarHBondContact O-CG1 3.49Å; A28-I32 PolarHBondContact O-N 3.46Å; A28-I32 VanDerWaalsContact O-N 3.11Å; A29-I32 PolarHBondContact O-N 3.22Å; E30-I32 PolarHBondContact O-N 3.11Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 3.48Å; I32-L35 WeakPolarHBondContact O-CB 3.49Å; I32-L35 PolarHBondContact O-N 3.31Å; I32-I36 HydrophobicContact CG2-CD1 4.26Å; I32-I36 WeakPolarHBondContact O-CG1 3.48Å; I32-I36 PolarHBondContact O-N 3.49Å; I32-L51 HydrophobicContact CG2-CD1 4.29Å; I32-L51 HydrophobicContact CG2-CD2 3.95Å; I32-L60 HydrophobicContact CD1-CD2 4.42Å; I32-L60 HydrophobicContact CG1-CD2 3.87Å; I32-L60 HydrophobicContact CG1-CG 4.32Å; I32-T64 HydrophobicContact CB-CG2 3.82Å; I32-T64 HydrophobicContact CG2-CG2 3.68Å
33	K	98.6	Very high	98.4	Very high	25 Å²	25	64.9 Å²	64.9	11%	0.109	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-43.1	174.7	-70.9	170.9	-164.7	174	0	111.8	A29 E30 L35 I36 D37 T64 T67	A29-K33 VanDerWaalsContact O-CG 3.29Å; A29-K33 WeakPolarHBondContact O-CG 3.43Å; A29-K33 PolarHBondContact O-N 3.47Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-K33 WeakPolarHBondContact OE1-CD 3.34Å; E30-K33 IonicContact OE1-NZ 2.72Å; E30-K33 PolarHBondContact OE1-NZ 3.29Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 3.39Å; K33-I36 WeakPolarHBondContact O-CB 3.36Å; K33-I36 PolarHBondContact O-N 3.13Å; K33-I36 VanDerWaalsContact O-N 3.16Å; K33-D37 PolarHBondContact O-N 2.92Å; K33-T64 HydrophobicContact CG-CG2 3.85Å; K33-T67 WeakPolarHBondContact CE-OG1 3.44Å; K33-T67 PolarHBondContact NZ-O 3.47Å; K33-T67 PolarHBondContact NZ-OG1 2.8Å
34	A	98.6	Very high	98.5	Very high	57 Å²	57	64.1 Å²	64.1	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-38.5	175.4	0	0	0	0	0	112.1	E30 N31 I32 D37 Q38	E30-A34 PolarHBondContact O-N 3.14Å; N31-A34 PolarHBondContact O-N 2.87Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 3.48Å; A34-D37 PolarHBondContact O-N 3.4Å; A34-Q38 WeakPolarHBondContact O-CB 3.39Å; A34-Q38 PolarHBondContact O-N 3.4Å
35	L	98.7	Very high	98.5	Very high	89 Å²	89	66.5 Å²	66.5	47%	0.466	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-43.9	174.3	-175.8	62.8	0	0	0	111.7	N31 I32 K33 D37 Q38 E39	N31-L35 PolarHBondContact O-N 3.17Å; I32-L35 WeakPolarHBondContact O-CB 3.49Å; I32-L35 PolarHBondContact O-N 3.31Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 3.39Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-D37 PolarHBondContact O-N 3.3Å; L35-Q38 WeakPolarHBondContact O-CB 3.31Å; L35-Q38 PolarHBondContact O-N 2.92Å; L35-E39 WeakPolarHBondContact O-CG 3.3Å; L35-E39 PolarHBondContact O-N 3.26Å
36	I	98.6	Very high	98.4	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-47.9	174.5	-64.7	163.2	0	0	0	110.3	I32 K33 Q38 E39 V40 I49 L51 T64 Q70 L72	I32-I36 HydrophobicContact CG2-CD1 4.26Å; I32-I36 WeakPolarHBondContact O-CG1 3.48Å; I32-I36 PolarHBondContact O-N 3.49Å; K33-I36 WeakPolarHBondContact O-CB 3.36Å; K33-I36 PolarHBondContact O-N 3.13Å; K33-I36 VanDerWaalsContact O-N 3.16Å; I36-Q38 VanDerWaalsContact C-N 3.26Å; I36-Q38 PolarHBondContact O-N 2.97Å; I36-E39 PolarHBondContact O-N 3.04Å; I36-V40 HydrophobicContact CG2-CG2 4.44Å; I36-V40 WeakPolarHBondContact O-CG2 3.36Å; I36-V40 PolarHBondContact O-N 3.48Å; I36-I49 HydrophobicContact CG2-CD1 4.06Å; I36-L51 HydrophobicContact CD1-CD1 3.94Å; I36-L51 HydrophobicContact CD1-CD2 4.12Å; I36-L51 HydrophobicContact CD1-CG 4.35Å; I36-L51 HydrophobicContact CG1-CD2 4.3Å; I36-T64 HydrophobicContact CD1-CG2 4.24Å; I36-Q70 HydrophobicContact CG2-CB 4.06Å; I36-Q70 HydrophobicContact CG2-CG 3.91Å; I36-L72 HydrophobicContact CD1-CD1 4.36Å; I36-L72 HydrophobicContact CD1-CD2 4.33Å; I36-L72 HydrophobicContact CG2-CD2 3.98Å
37	D	98.3	Very high	98.4	Very high	77 Å²	77	68 Å²	68	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-34.9	179.7	-72	-25.7	0	0	0	112	K33 A34 L35 V40 K41 Q70	K33-D37 PolarHBondContact O-N 2.92Å; A34-D37 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-D37 PolarHBondContact O-N 3.3Å; D37-V40 PolarHBondContact O-N 3.25Å; D37-K41 VanDerWaalsContact O-CB 3.29Å; D37-K41 WeakPolarHBondContact O-CB 3.48Å; D37-K41 PolarHBondContact O-N 2.86Å; D37-Q70 WeakPolarHBondContact OD1-CG 3.09Å; D37-Q70 PolarHBondContact OD1-NE2 3.07Å
38	Q	98.6	Very high	98.4	Very high	109 Å²	109	65.7 Å²	65.7	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-45.4	173.9	-179	176.3	-21.3	0	0	112	A34 L35 I36 V40 K41 N42	A34-Q38 WeakPolarHBondContact O-CB 3.39Å; A34-Q38 PolarHBondContact O-N 3.4Å; L35-Q38 WeakPolarHBondContact O-CB 3.31Å; L35-Q38 PolarHBondContact O-N 2.92Å; I36-Q38 VanDerWaalsContact C-N 3.26Å; I36-Q38 PolarHBondContact O-N 2.97Å; Q38-V40 VanDerWaalsContact C-N 3.31Å; Q38-V40 PolarHBondContact O-N 3.5Å; Q38-K41 PolarHBondContact O-N 3.36Å; Q38-N42 WeakPolarHBondContact O-CB 3.4Å; Q38-N42 VanDerWaalsContact O-CG 3.22Å; Q38-N42 PolarHBondContact O-N 2.95Å; Q38-N42 PolarHBondContact O-ND2 3.23Å
39	E	98.6	Very high	98.4	Very high	64 Å²	64	66.4 Å²	66.4	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-40.4	175.7	-65	-49.4	135.5	0	0	111.7	L35 I36 N42 G43 I44 I49	L35-E39 WeakPolarHBondContact O-CG 3.3Å; L35-E39 PolarHBondContact O-N 3.26Å; I36-E39 PolarHBondContact O-N 3.04Å; E39-N42 CarbonylContact O-C 3.55Å; E39-N42 PolarHBondContact O-N 3.35Å; E39-G43 PolarHBondContact O-N 2.96Å; E39-I44 PolarHBondContact O-N 3.32Å; E39-I49 HydrophobicContact CB-CD1 4.02Å
40	V	98.4	Very high	98.4	Very high	45 Å²	45	68.1 Å²	68.1	27%	0.273	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-45.4	174.2	173.9	0	0	0	0	111.6	I36 D37 Q38 N42 G43 I44 I49	I36-V40 HydrophobicContact CG2-CG2 4.44Å; I36-V40 WeakPolarHBondContact O-CG2 3.36Å; I36-V40 PolarHBondContact O-N 3.48Å; D37-V40 PolarHBondContact O-N 3.25Å; Q38-V40 VanDerWaalsContact C-N 3.31Å; Q38-V40 PolarHBondContact O-N 3.5Å; V40-N42 PolarHBondContact O-N 3.46Å; V40-G43 PolarHBondContact O-N 3.13Å; V40-I44 VanDerWaalsContact CA-O 3.25Å; V40-I44 WeakPolarHBondContact CA-O 3.24Å; V40-I49 HydrophobicContact CG2-CD1 4.02Å
41	K	98.3	Very high	98.4	Very high	183 Å²	183	64.4 Å²	64.4	80%	0.796	35%	0.35	S	S	*	.	H	α-helix	trans	-62.1	-31.9	176.5	-174.1	179.7	179.1	-177.8	0	112.4	D37 Q38 G43	D37-K41 VanDerWaalsContact O-CB 3.29Å; D37-K41 WeakPolarHBondContact O-CB 3.48Å; D37-K41 PolarHBondContact O-N 2.86Å; Q38-K41 PolarHBondContact O-N 3.36Å; K41-G43 PolarHBondContact O-N 3.08Å
42	N	98.3	Very high	98.4	Very high	110 Å²	110	61.8 Å²	61.8	59%	0.588	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	2	176.2	-67.8	-19.7	0	0	0	113.4	Q38 E39 V40	Q38-N42 WeakPolarHBondContact O-CB 3.4Å; Q38-N42 VanDerWaalsContact O-CG 3.22Å; Q38-N42 PolarHBondContact O-N 2.95Å; Q38-N42 PolarHBondContact O-ND2 3.23Å; E39-N42 CarbonylContact O-C 3.55Å; E39-N42 PolarHBondContact O-N 3.35Å; V40-N42 PolarHBondContact O-N 3.46Å
43	G	97.9	Very high	98.4	Very high	58 Å²	58	61.1 Å²	61.1	60%	0.598	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.4	4.9	170.6	0	0	0	0	0	115.1	E39 V40 K41 P45	E39-G43 PolarHBondContact O-N 2.96Å; V40-G43 PolarHBondContact O-N 3.13Å; K41-G43 PolarHBondContact O-N 3.08Å; G43-P45 VanDerWaalsContact O-CD 3.3Å; G43-P45 WeakPolarHBondContact O-CD 3.23Å
44	I	98.2	Very high	98.4	Very high	74 Å²	74	63.8 Å²	63.8	38%	0.379	36%	0.359	S	S	.	.			trans	-85.7	111.3	173.3	-58.1	179.8	0	0	0	108.8	E39 V40 S46 R48 I49	E39-I44 PolarHBondContact O-N 3.32Å; V40-I44 VanDerWaalsContact CA-O 3.25Å; V40-I44 WeakPolarHBondContact CA-O 3.24Å; I44-S46 PolarHBondContact O-N 2.95Å; I44-R48 HydrophobicContact CG2-CB 4.23Å; I44-I49 HydrophobicContact CG2-CD1 4.38Å; I44-I49 HydrophobicContact CG2-CG1 3.92Å
45	P	97.8	Very high	98.3	Very high	66 Å²	66	62.2 Å²	62.2	43%	0.429	34%	0.344	S	S	.	.			trans	-57	140.8	179.4	-24.8	36.4	0	0	0	111.7	G43 N47 R48	G43-P45 VanDerWaalsContact O-CD 3.3Å; G43-P45 WeakPolarHBondContact O-CD 3.23Å; P45-N47 WeakPolarHBondContact CB-OD1 3.19Å; P45-N47 PolarHBondContact O-N 3.14Å; P45-R48 HydrophobicContact CB-CG 4.19Å; P45-R48 HydrophobicContact CG-CG 4.35Å; P45-R48 WeakPolarHBondContact O-CA 3.42Å; P45-R48 VanDerWaalsContact O-CB 3.29Å; P45-R48 WeakPolarHBondContact O-CB 3.49Å; P45-R48 PolarHBondContact O-N 2.83Å
46	S	97.9	Very high	98.3	Very high	22 Å²	22	59 Å²	59	15%	0.154	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-60.9	-31.3	-177.2	44.1	0	0	0	0	113.2	I44 R48 I49 Q70 K71 L72	I44-S46 PolarHBondContact O-N 2.95Å; S46-R48 PolarHBondContact O-N 3.23Å; S46-R48 VanDerWaalsContact O-N 3.08Å; S46-I49 WeakPolarHBondContact O-CB 3.43Å; S46-I49 PolarHBondContact O-N 2.82Å; S46-Q70 PolarHBondContact OG-OE1 3.31Å; S46-K71 CarbonylContact C-O 3.58Å; S46-K71 WeakPolarHBondContact CB-O 3.35Å; S46-K71 PolarHBondContact OG-O 2.86Å; S46-L72 WeakPolarHBondContact O-CA 3.02Å
47	N	97.7	Very high	98.3	Very high	96 Å²	96	59.2 Å²	59.2	51%	0.513	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-73.1	6.9	173.3	72.1	-40.7	0	0	0	114	P45 K71 A73	P45-N47 WeakPolarHBondContact CB-OD1 3.19Å; P45-N47 PolarHBondContact O-N 3.14Å; N47-K71 WeakPolarHBondContact CA-O 3.41Å; N47-K71 PolarHBondContact N-O 3.24Å; N47-A73 VanDerWaalsContact O-CB 3.31Å; N47-A73 WeakPolarHBondContact O-CB 3.31Å
48	R	98.3	Very high	98.3	Very high	66 Å²	66	55.6 Å²	55.6	25%	0.249	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-112	6.6	169.5	-67.3	-73.6	-62.1	-175.9	-3.1	112.5	I44 P45 S46 L162 P163	I44-R48 HydrophobicContact CG2-CB 4.23Å; P45-R48 HydrophobicContact CB-CG 4.19Å; P45-R48 HydrophobicContact CG-CG 4.35Å; P45-R48 WeakPolarHBondContact O-CA 3.42Å; P45-R48 VanDerWaalsContact O-CB 3.29Å; P45-R48 WeakPolarHBondContact O-CB 3.49Å; P45-R48 PolarHBondContact O-N 2.83Å; S46-R48 PolarHBondContact O-N 3.23Å; S46-R48 VanDerWaalsContact O-N 3.08Å; R48-L162 HydrophobicContact CB-CD2 4.31Å; R48-L162 VanDerWaalsContact NH1-C 3.35Å; R48-L162 WeakPolarHBondContact O-CD2 3.5Å; R48-P163 PolarHBondContact NH1-O 3.29Å; R48-P163 PolarHBondContact NH2-O 2.72Å
49	I	98.8	Very high	98.3	Very high	22 Å²	22	50.4 Å²	50.4	11%	0.113	29%	0.287	C	S	.	.			trans	-105.6	125.8	-179.5	-58.6	176	0	0	0	109.1	I36 E39 V40 I44 S46 L72 A73	I36-I49 HydrophobicContact CG2-CD1 4.06Å; E39-I49 HydrophobicContact CB-CD1 4.02Å; V40-I49 HydrophobicContact CG2-CD1 4.02Å; I44-I49 HydrophobicContact CG2-CD1 4.38Å; I44-I49 HydrophobicContact CG2-CG1 3.92Å; S46-I49 WeakPolarHBondContact O-CB 3.43Å; S46-I49 PolarHBondContact O-N 2.82Å; I49-L72 HydrophobicContact CB-CD2 4.18Å; I49-L72 HydrophobicContact CG2-CD2 4.26Å; I49-A73 VanDerWaalsContact O-CB 3.3Å; I49-A73 WeakPolarHBondContact O-CB 3.33Å; I49-A73 PolarHBondContact O-N 2.94Å
50	I	98.8	Very high	98.3	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.185	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.8	169	-63.2	176.3	0	0	0	107.3	A73 G74 T76 F157 I158 L161 L162	I50-A73 HydrophobicContact CG1-CB 3.87Å; I50-G74 WeakPolarHBondContact CA-O 3.43Å; I50-T76 HydrophobicContact CG2-CG2 4.28Å; I50-F157 HydrophobicContact CD1-CE1 4.46Å; I50-F157 HydrophobicContact CG2-CE1 4.41Å; I50-I158 HydrophobicContact CD1-CB 4.42Å; I50-I158 HydrophobicContact CD1-CG1 3.98Å; I50-L161 HydrophobicContact CD1-CB 4.2Å; I50-L161 HydrophobicContact CD1-CD1 4.26Å; I50-L162 HydrophobicContact CD1-CD1 3.7Å; I50-L162 HydrophobicContact CD1-CG 3.81Å; I50-L162 HydrophobicContact CG1-CD1 4.01Å; I50-L162 HydrophobicContact CG1-CG 4.26Å
51	L	98.8	Very high	98.3	Very high	20 Å²	20	46 Å²	46	11%	0.105	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.4	166.8	-68.9	-178.5	0	0	0	109.7	I32 I36 T64 A65 L72 G74 V75 T76	I32-L51 HydrophobicContact CG2-CD1 4.29Å; I32-L51 HydrophobicContact CG2-CD2 3.95Å; I36-L51 HydrophobicContact CD1-CD1 3.94Å; I36-L51 HydrophobicContact CD1-CD2 4.12Å; I36-L51 HydrophobicContact CD1-CG 4.35Å; I36-L51 HydrophobicContact CG1-CD2 4.3Å; L51-T64 HydrophobicContact CD1-CG2 3.87Å; L51-A65 HydrophobicContact CD1-CB 4.23Å; L51-L72 HydrophobicContact CD1-CD1 3.72Å; L51-L72 HydrophobicContact CG-CD1 3.91Å; L51-G74 PolarHBondContact N-O 3.48Å; L51-G74 VanDerWaalsContact N-O 3.14Å; L51-V75 CarbonylContact O-C 3.04Å; L51-V75 WeakPolarHBondContact O-CA 3.25Å; L51-T76 PolarHBondContact O-N 2.86Å
52	G	98.6	Very high	98.3	Very high	42 Å²	42	37.4 Å²	37.4	43%	0.433	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	149.3	-179.7	0	0	0	0	0	112.4	S61 T76	G52-S61 VanDerWaalsContact C-OG 3.32Å; G52-S61 PolarHBondContact O-OG 3.43Å; G52-T76 VanDerWaalsContact CA-O 3.23Å; G52-T76 WeakPolarHBondContact CA-O 3.46Å; G52-T76 VanDerWaalsContact CA-OG1 3.24Å; G52-T76 WeakPolarHBondContact CA-OG1 3.29Å
53	G	98.6	Very high	98.4	Very high	17 Å²	17	33 Å²	33	18%	0.175	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	164.5	175.1	0	0	0	0	0	113.7	G58 T76 L78	G53-G58 VanDerWaalsContact C-CA 3.41Å; G53-G58 VanDerWaalsContact C-N 3.3Å; G53-G58 VanDerWaalsContact O-CA 3.24Å; G53-G58 WeakPolarHBondContact O-CA 3.35Å; G53-T76 PolarHBondContact N-O 3.22Å; G53-T76 VanDerWaalsContact N-O 3.08Å; G53-L78 PolarHBondContact O-N 2.99Å
54	F	98.8	Very high	98.4	Very high	82 Å²	82	30.2 Å²	30.2	36%	0.36	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.3	176.1	176.3	-95.6	0	0	0	110.2	Q56 G57 G58 L78 H144	F54-Q56 PolarHBondContact O-N 3.29Å; F54-G57 PolarHBondContact O-N 2.7Å; F54-G58 PolarHBondContact O-N 3.43Å; F54-L78 CarbonylContact C-O 3.54Å; F54-L78 VanDerWaalsContact CA-O 3.31Å; F54-L78 WeakPolarHBondContact CA-O 3.36Å; F54-L78 HydrophobicContact CB-CB 4.47Å; F54-L78 HydrophobicContact CD2-CB 4.05Å; F54-H144 AromaticContact CE1-CD2 3.75Å; F54-H144 AromaticContact CE1-CE1 3.93Å; F54-H144 AromaticContact CE1-NE2 3.41Å; F54-H144 WeakPolarHBondContact CE1-NE2 3.48Å; F54-H144 AromaticContact CZ-CD2 3.66Å; F54-H144 AromaticContact CZ-CE1 3.73Å; F54-H144 AromaticContact CZ-CG 3.92Å; F54-H144 AromaticContact CZ-ND1 3.94Å; F54-H144 AromaticContact CZ-NE2 3.57Å
55	S	97.5	Very high	98.4	Very high	24 Å²	24	26.7 Å²	26.7	17%	0.168	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-125.6	176.5	-168.9	0	0	0	0	111.4	G57 G58 A59 L78 S79 C80 H144	S55-G57 PolarHBondContact O-N 2.87Å; S55-G58 WeakPolarHBondContact O-CA 3.37Å; S55-G58 PolarHBondContact O-N 2.82Å; S55-A59 PolarHBondContact O-N 2.94Å; S55-L78 PolarHBondContact N-O 2.82Å; S55-S79 WeakPolarHBondContact CA-O 3.42Å; S55-C80 WeakPolarHBondContact O-CB 3.43Å; S55-H144 VanDerWaalsContact CB-NE2 3.35Å; S55-H144 WeakPolarHBondContact CB-NE2 3.42Å; S55-H144 PolarHBondContact OG-CE1 3.2Å; S55-H144 VanDerWaalsContact OG-CE1 3.31Å; S55-H144 PolarHBondContact OG-NE2 3.48Å; S55-H144 VanDerWaalsContact OG-NE2 3.07Å
56	Q	97.5	Very high	98.4	Very high	20 Å²	20	24 Å²	24	9%	0.093	14%	0.138	C	C	.	.	H	α-helix	trans	-54.2	-35.9	177.3	-168	-172.6	55.7	0	0	113.7	S7 W8 F9 F54 A59 L60 W81	S7-Q56 PolarHBondContact OG-NE2 3.38Å; S7-Q56 PolarHBondContact OG-OE1 2.88Å; W8-Q56 HydrophobicContact CB-CG 4.29Å; F9-Q56 HydrophobicContact CD1-CG 4.25Å; F9-Q56 HydrophobicContact CE1-CG 3.62Å; F9-Q56 HydrophobicContact CE2-CG 3.97Å; F9-Q56 HydrophobicContact CZ-CG 3.47Å; F9-Q56 VanDerWaalsContact CZ-CG 3.47Å; F9-Q56 PolarHBondContact O-NE2 3.46Å; F54-Q56 PolarHBondContact O-N 3.29Å; Q56-A59 WeakPolarHBondContact O-CB 3.29Å; Q56-A59 PolarHBondContact O-N 3.21Å; Q56-L60 PolarHBondContact O-N 3.21Å; Q56-W81 HydrophobicContact CB-CH2 4.21Å; Q56-W81 HydrophobicContact CG-CH2 4.41Å
57	G	98.5	Very high	98.4	Very high	11 Å²	11	24.8 Å²	24.8	11%	0.113	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-35.5	176.1	0	0	0	0	0	112.8	F54 S55 L60 S61	F54-G57 PolarHBondContact O-N 2.7Å; S55-G57 PolarHBondContact O-N 2.87Å; G57-L60 PolarHBondContact O-N 2.79Å; G57-S61 WeakPolarHBondContact O-CB 3.35Å; G57-S61 PolarHBondContact O-N 3.23Å; G57-S61 PolarHBondContact O-OG 2.94Å
58	G	98.7	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-40.4	173.2	0	0	0	0	0	111.7	G53 F54 S55 S61 L62 C80	G53-G58 VanDerWaalsContact C-CA 3.41Å; G53-G58 VanDerWaalsContact C-N 3.3Å; G53-G58 VanDerWaalsContact O-CA 3.24Å; G53-G58 WeakPolarHBondContact O-CA 3.35Å; F54-G58 PolarHBondContact O-N 3.43Å; S55-G58 WeakPolarHBondContact O-CA 3.37Å; S55-G58 PolarHBondContact O-N 2.82Å; G58-S61 WeakPolarHBondContact O-CB 3.45Å; G58-S61 PolarHBondContact O-N 3.33Å; G58-L62 PolarHBondContact O-N 2.72Å; G58-C80 VanDerWaalsContact C-SG 3.58Å
59	A	98.4	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-48.1	174.3	0	0	0	0	0	111.9	F9 S55 Q56 S61 L62 Y63 W81 P83	F9-A59 HydrophobicContact CZ-CB 4.48Å; S55-A59 PolarHBondContact O-N 2.94Å; Q56-A59 WeakPolarHBondContact O-CB 3.29Å; Q56-A59 PolarHBondContact O-N 3.21Å; A59-S61 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 2.92Å; A59-L62 PolarHBondContact O-N 3.19Å; A59-Y63 PolarHBondContact O-N 3.46Å; A59-Y63 VanDerWaalsContact O-N 3.1Å; A59-W81 WeakPolarHBondContact CA-O 3.37Å; A59-W81 HydrophobicContact CB-CD2 3.94Å; A59-W81 HydrophobicContact CB-CE3 4.2Å; A59-W81 HydrophobicContact CB-CG 4.43Å; A59-W81 HydrophobicContact CB-CH2 4.37Å; A59-W81 HydrophobicContact CB-CZ2 4.13Å; A59-W81 HydrophobicContact CB-CZ3 4.4Å; A59-W81 WeakPolarHBondContact CB-O 3.45Å; A59-P83 HydrophobicContact CB-CG 4.26Å; A59-P83 VanDerWaalsContact O-CD 3.26Å; A59-P83 WeakPolarHBondContact O-CD 3.25Å
60	L	98.8	Very high	98.2	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-40.5	175.2	-175.9	60.8	0	0	0	112.5	W8 F9 A28 A29 I32 Q56 G57 Y63 T64	W8-L60 HydrophobicContact CB-CD2 4.03Å; W8-L60 HydrophobicContact CD2-CD2 3.87Å; W8-L60 HydrophobicContact CE3-CD2 3.81Å; W8-L60 HydrophobicContact CG-CD2 3.98Å; F9-L60 HydrophobicContact CE1-CB 4.23Å; A28-L60 HydrophobicContact CB-CD1 3.75Å; A28-L60 HydrophobicContact CB-CD2 3.9Å; A29-L60 HydrophobicContact CB-CD1 4.13Å; I32-L60 HydrophobicContact CD1-CD2 4.42Å; I32-L60 HydrophobicContact CG1-CD2 3.87Å; I32-L60 HydrophobicContact CG1-CG 4.32Å; Q56-L60 PolarHBondContact O-N 3.21Å; G57-L60 PolarHBondContact O-N 2.79Å; L60-Y63 PolarHBondContact O-N 3.48Å; L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 3.34Å; L60-T64 PolarHBondContact O-OG1 3.21Å
61	S	98.9	Very high	98.1	Very high	14 Å²	14	30.3 Å²	30.3	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-46.2	178.4	-63.6	0	0	0	0	111.8	G52 G57 G58 A59 A65	G52-S61 VanDerWaalsContact C-OG 3.32Å; G52-S61 PolarHBondContact O-OG 3.43Å; G57-S61 WeakPolarHBondContact O-CB 3.35Å; G57-S61 PolarHBondContact O-N 3.23Å; G57-S61 PolarHBondContact O-OG 2.94Å; G58-S61 WeakPolarHBondContact O-CB 3.45Å; G58-S61 PolarHBondContact O-N 3.33Å; A59-S61 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 2.92Å; S61-A65 VanDerWaalsContact O-CB 3.31Å; S61-A65 WeakPolarHBondContact O-CB 3.49Å; S61-A65 PolarHBondContact O-N 3.48Å
62	L	98.8	Very high	98.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-52.1	175.7	-76.4	172.2	0	0	0	111.4	G58 A59 T64 A65 L66 V75 A77 L82 I102 T121 L125	G58-L62 PolarHBondContact O-N 2.72Å; A59-L62 PolarHBondContact O-N 3.19Å; L62-T64 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.42Å; L62-A65 PolarHBondContact O-N 3.31Å; L62-L66 WeakPolarHBondContact O-CB 3.38Å; L62-L66 VanDerWaalsContact O-CG 3.25Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.3Å; L62-V75 HydrophobicContact CD2-CG1 3.92Å; L62-V75 HydrophobicContact CG-CG1 4.37Å; L62-A77 HydrophobicContact CD1-CB 3.84Å; L62-A77 HydrophobicContact CD2-CB 3.91Å; L62-A77 HydrophobicContact CG-CB 3.79Å; L62-L82 HydrophobicContact CB-CD1 4.1Å; L62-I102 HydrophobicContact CD2-CD1 4.49Å; L62-I102 HydrophobicContact CD2-CG2 4.13Å; L62-T121 HydrophobicContact CD1-CG2 3.87Å; L62-L125 HydrophobicContact CD2-CD1 3.98Å; L62-L125 HydrophobicContact CD2-CD2 4.2Å
63	Y	98.6	Very high	98.1	Very high	17 Å²	17	28.3 Å²	28.3	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-178.7	-174.9	-91.7	0	0	0	112.2	I25 K26 A29 A59 L60 L66 T67 P83 L84 F88	I25-Y63 HydrophobicContact CG2-CD1 3.9Å; I25-Y63 HydrophobicContact CG2-CD2 4.23Å; I25-Y63 HydrophobicContact CG2-CE1 4.08Å; I25-Y63 HydrophobicContact CG2-CE2 4.41Å; I25-Y63 HydrophobicContact CG2-CG 3.97Å; K26-Y63 HydrophobicContact CG-CE1 4.34Å; K26-Y63 WeakPolarHBondContact CG-OH 3.41Å; A29-Y63 HydrophobicContact CB-CD1 3.66Å; A29-Y63 HydrophobicContact CB-CE1 3.9Å; A59-Y63 PolarHBondContact O-N 3.46Å; A59-Y63 VanDerWaalsContact O-N 3.1Å; L60-Y63 PolarHBondContact O-N 3.48Å; Y63-L66 PolarHBondContact O-N 3.04Å; Y63-T67 HydrophobicContact CD1-CG2 4.41Å; Y63-T67 HydrophobicContact CE1-CG2 4.08Å; Y63-T67 HydrophobicContact CE2-CG2 4.18Å; Y63-T67 WeakPolarHBondContact O-CB 2.96Å; Y63-T67 VanDerWaalsContact O-CG2 3.31Å; Y63-T67 WeakPolarHBondContact O-CG2 3.16Å; Y63-T67 PolarHBondContact O-N 2.6Å; Y63-T67 VanDerWaalsContact O-N 3.15Å; Y63-T67 PolarHBondContact O-OG1 2.99Å; Y63-P83 HydrophobicContact CD2-CG 4.22Å; Y63-P83 HydrophobicContact CG-CG 4.25Å; Y63-L84 HydrophobicContact CE2-CB 4.13Å; Y63-L84 HydrophobicContact CE2-CD1 3.7Å; Y63-L84 HydrophobicContact CE2-CG 4.34Å; Y63-F88 AromaticContact CD2-CE2 3.8Å; Y63-F88 HydrophobicContact CD2-CE2 3.8Å; Y63-F88 AromaticContact CD2-CZ 3.75Å; Y63-F88 HydrophobicContact CD2-CZ 3.75Å; Y63-F88 AromaticContact CE2-CE2 3.99Å; Y63-F88 HydrophobicContact CE2-CE2 3.99Å; Y63-F88 AromaticContact CE2-CZ 3.97Å; Y63-F88 HydrophobicContact CE2-CZ 3.97Å
64	T	98.7	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-48	179.4	-54.8	0	0	0	0	110.6	I32 K33 I36 L51 L60 L62 L66 T67 T68	I32-T64 HydrophobicContact CB-CG2 3.82Å; I32-T64 HydrophobicContact CG2-CG2 3.68Å; K33-T64 HydrophobicContact CG-CG2 3.85Å; I36-T64 HydrophobicContact CD1-CG2 4.24Å; L51-T64 HydrophobicContact CD1-CG2 3.87Å; L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 3.34Å; L60-T64 PolarHBondContact O-OG1 3.21Å; L62-T64 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.42Å; T64-L66 VanDerWaalsContact C-N 3.32Å; T64-L66 PolarHBondContact O-N 3.1Å; T64-T67 PolarHBondContact O-N 2.93Å; T64-T67 PolarHBondContact O-OG1 3.16Å; T64-T68 WeakPolarHBondContact O-CB 3.46Å; T64-T68 WeakPolarHBondContact O-CG2 3.18Å; T64-T68 PolarHBondContact O-N 3.39Å
65	A	98.4	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-38.7	-180	0	0	0	0	0	112.7	L51 S61 L62 T67 L72 V75 N97 I100	L51-A65 HydrophobicContact CD1-CB 4.23Å; S61-A65 VanDerWaalsContact O-CB 3.31Å; S61-A65 WeakPolarHBondContact O-CB 3.49Å; S61-A65 PolarHBondContact O-N 3.48Å; L62-A65 PolarHBondContact O-N 3.31Å; A65-T67 VanDerWaalsContact C-N 3.3Å; A65-T67 PolarHBondContact O-N 3.3Å; A65-L72 HydrophobicContact CB-CD1 3.97Å; A65-V75 HydrophobicContact CB-CG2 3.33Å; A65-N97 PolarHBondContact O-ND2 3.26Å; A65-I100 HydrophobicContact CB-CD1 4Å
66	L	98	Very high	98.2	Very high	10 Å²	10	23 Å²	23	5%	0.052	12%	0.116	C	C	.	.	H	α-helix	trans	-77.2	-15.1	-179.5	-64.5	170.8	0	0	0	113.6	L62 Y63 T64 L82 F88 I93 L125 L128 V129	L62-L66 WeakPolarHBondContact O-CB 3.38Å; L62-L66 VanDerWaalsContact O-CG 3.25Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.3Å; Y63-L66 PolarHBondContact O-N 3.04Å; T64-L66 VanDerWaalsContact C-N 3.32Å; T64-L66 PolarHBondContact O-N 3.1Å; L66-L82 HydrophobicContact CD1-CD1 3.65Å; L66-L82 HydrophobicContact CD1-CD2 4.39Å; L66-F88 HydrophobicContact CB-CE1 3.7Å; L66-F88 HydrophobicContact CB-CZ 4.05Å; L66-F88 HydrophobicContact CD1-CE1 4.1Å; L66-F88 HydrophobicContact CD1-CZ 4.13Å; L66-I93 HydrophobicContact CB-CD1 4.5Å; L66-I93 HydrophobicContact CD2-CD1 3.94Å; L66-L125 HydrophobicContact CD1-CD2 3.71Å; L66-L128 HydrophobicContact CD1-CD1 4.22Å; L66-V129 HydrophobicContact CD2-CG1 3.61Å
67	T	97.3	Very high	98.2	Very high	38 Å²	38	22 Å²	22	23%	0.233	11%	0.112	C	C	.	.	H	α-helix	trans	-117.3	-7.6	-176	62.6	0	0	0	0	114.5	K33 Y63 T64 A65 F88	K33-T67 WeakPolarHBondContact CE-OG1 3.44Å; K33-T67 PolarHBondContact NZ-O 3.47Å; K33-T67 PolarHBondContact NZ-OG1 2.8Å; Y63-T67 HydrophobicContact CD1-CG2 4.41Å; Y63-T67 HydrophobicContact CE1-CG2 4.08Å; Y63-T67 HydrophobicContact CE2-CG2 4.18Å; Y63-T67 WeakPolarHBondContact O-CB 2.96Å; Y63-T67 VanDerWaalsContact O-CG2 3.31Å; Y63-T67 WeakPolarHBondContact O-CG2 3.16Å; Y63-T67 PolarHBondContact O-N 2.6Å; Y63-T67 VanDerWaalsContact O-N 3.15Å; Y63-T67 PolarHBondContact O-OG1 2.99Å; T64-T67 PolarHBondContact O-N 2.93Å; T64-T67 PolarHBondContact O-OG1 3.16Å; A65-T67 VanDerWaalsContact C-N 3.3Å; A65-T67 PolarHBondContact O-N 3.3Å; T67-F88 HydrophobicContact CG2-CE1 4.12Å; T67-F88 HydrophobicContact CG2-CZ 4.09Å
68	T	97.2	Very high	98.3	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.043	11%	0.111	C	C	.	.			trans	-75	153.6	173.2	-173.2	0	0	0	0	111.8	T64 Q70 L72 N97	T64-T68 WeakPolarHBondContact O-CB 3.46Å; T64-T68 WeakPolarHBondContact O-CG2 3.18Å; T64-T68 PolarHBondContact O-N 3.39Å; T68-Q70 HydrophobicContact CG2-CB 4.44Å; T68-Q70 WeakPolarHBondContact CG2-O 3.38Å; T68-Q70 PolarHBondContact OG1-N 2.66Å; T68-L72 HydrophobicContact CG2-CD1 3.99Å; T68-L72 HydrophobicContact CG2-CG 4.2Å; T68-N97 WeakPolarHBondContact CG2-ND2 3.09Å
69	Q	95.8	Very high	98.2	Very high	154 Å²	154	22.5 Å²	22.5	72%	0.72	11%	0.111	S	C	*	.	S	Bend	trans	-87.6	-12.2	172.3	-58.3	-55.5	-41.6	0	0	112.5	A96	Q69-A96 VanDerWaalsContact O-CB 3.25Å; Q69-A96 WeakPolarHBondContact O-CB 3.5Å
70	Q	97.2	Very high	98.2	Very high	47 Å²	47	22.5 Å²	22.5	22%	0.22	11%	0.111	C	C	.	.	S	Bend	trans	-75.8	132.7	176	-65.7	-69.1	-1.3	0	0	110.5	I36 D37 S46 T68 L72 N97	I36-Q70 HydrophobicContact CG2-CB 4.06Å; I36-Q70 HydrophobicContact CG2-CG 3.91Å; D37-Q70 WeakPolarHBondContact OD1-CG 3.09Å; D37-Q70 PolarHBondContact OD1-NE2 3.07Å; S46-Q70 PolarHBondContact OG-OE1 3.31Å; T68-Q70 HydrophobicContact CG2-CB 4.44Å; T68-Q70 WeakPolarHBondContact CG2-O 3.38Å; T68-Q70 PolarHBondContact OG1-N 2.66Å; Q70-L72 HydrophobicContact CB-CD2 4.21Å; Q70-L72 PolarHBondContact O-N 3.38Å; Q70-N97 PolarHBondContact O-ND2 3.1Å; Q70-N97 PolarHBondContact O-OD1 3.04Å
71	K	97.6	Very high	98.2	Very high	128 Å²	128	24.2 Å²	24.2	56%	0.557	12%	0.118	S	C	*	.			trans	-78.9	101.9	174.1	-175.3	176	179.8	177.7	0	109.6	S46 N47 A96 N97	S46-K71 CarbonylContact C-O 3.58Å; S46-K71 WeakPolarHBondContact CB-O 3.35Å; S46-K71 PolarHBondContact OG-O 2.86Å; N47-K71 WeakPolarHBondContact CA-O 3.41Å; N47-K71 PolarHBondContact N-O 3.24Å; K71-A96 HydrophobicContact CB-CB 4.22Å; K71-N97 WeakPolarHBondContact CA-OD1 3.34Å
72	L	98.6	Very high	98.1	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	11%	0.113	C	C	.	.			trans	-84.2	159.5	-177.5	-58	-179	0	0	0	111.9	I36 S46 I49 L51 A65 T68 Q70 N97 I100	I36-L72 HydrophobicContact CD1-CD1 4.36Å; I36-L72 HydrophobicContact CD1-CD2 4.33Å; I36-L72 HydrophobicContact CG2-CD2 3.98Å; S46-L72 WeakPolarHBondContact O-CA 3.02Å; I49-L72 HydrophobicContact CB-CD2 4.18Å; I49-L72 HydrophobicContact CG2-CD2 4.26Å; L51-L72 HydrophobicContact CD1-CD1 3.72Å; L51-L72 HydrophobicContact CG-CD1 3.91Å; A65-L72 HydrophobicContact CB-CD1 3.97Å; T68-L72 HydrophobicContact CG2-CD1 3.99Å; T68-L72 HydrophobicContact CG2-CG 4.2Å; Q70-L72 HydrophobicContact CB-CD2 4.21Å; Q70-L72 PolarHBondContact O-N 3.38Å; L72-N97 PolarHBondContact N-OD1 3.35Å; L72-I100 HydrophobicContact CB-CD1 3.89Å
73	A	98.5	Very high	98	Very high	14 Å²	14	23.6 Å²	23.6	12%	0.116	11%	0.113	C	C	.	.	S	Bend	trans	-71.2	-44.8	176.7	0	0	0	0	0	111.7	N47 I49 I50 L162	N47-A73 VanDerWaalsContact O-CB 3.31Å; N47-A73 WeakPolarHBondContact O-CB 3.31Å; I49-A73 VanDerWaalsContact O-CB 3.3Å; I49-A73 WeakPolarHBondContact O-CB 3.33Å; I49-A73 PolarHBondContact O-N 2.94Å; I50-A73 HydrophobicContact CG1-CB 3.87Å; A73-L162 HydrophobicContact CB-CD2 3.96Å
74	G	98.7	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	179.8	-177.5	0	0	0	0	0	114.5	I50 L51 S101	I50-G74 WeakPolarHBondContact CA-O 3.43Å; L51-G74 PolarHBondContact N-O 3.48Å; L51-G74 VanDerWaalsContact N-O 3.14Å; G74-S101 CarbonylContact C-O 3.2Å; G74-S101 WeakPolarHBondContact CA-O 3.24Å
75	V	98.9	Very high	97.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.4	174.3	-174.9	0	0	0	0	111.2	L51 L62 A65 A77 I100 S101 I102 L103	L51-V75 CarbonylContact O-C 3.04Å; L51-V75 WeakPolarHBondContact O-CA 3.25Å; L62-V75 HydrophobicContact CD2-CG1 3.92Å; L62-V75 HydrophobicContact CG-CG1 4.37Å; A65-V75 HydrophobicContact CB-CG2 3.33Å; V75-A77 HydrophobicContact CG1-CB 4.42Å; V75-I100 HydrophobicContact CG2-CD1 3.69Å; V75-S101 PolarHBondContact N-O 2.97Å; V75-I102 HydrophobicContact CB-CG1 4.37Å; V75-I102 HydrophobicContact CB-CG2 4.41Å; V75-I102 WeakPolarHBondContact O-CA 3.36Å; V75-L103 PolarHBondContact O-N 3.28Å
76	T	98.8	Very high	97.5	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.067	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110.6	166.4	59.7	0	0	0	0	110.4	I50 L51 G52 G53 L103 V154 F157	I50-T76 HydrophobicContact CG2-CG2 4.28Å; L51-T76 PolarHBondContact O-N 2.86Å; G52-T76 VanDerWaalsContact CA-O 3.23Å; G52-T76 WeakPolarHBondContact CA-O 3.46Å; G52-T76 VanDerWaalsContact CA-OG1 3.24Å; G52-T76 WeakPolarHBondContact CA-OG1 3.29Å; G53-T76 PolarHBondContact N-O 3.22Å; G53-T76 VanDerWaalsContact N-O 3.08Å; T76-L103 CarbonylContact C-O 3.38Å; T76-L103 WeakPolarHBondContact CA-O 3.26Å; T76-L103 HydrophobicContact CG2-CB 4.5Å; T76-V154 HydrophobicContact CG2-CG1 4.33Å; T76-F157 HydrophobicContact CG2-CD1 3.49Å; T76-F157 VanDerWaalsContact CG2-CD1 3.49Å; T76-F157 HydrophobicContact CG2-CE1 3.65Å; T76-F157 HydrophobicContact CG2-CG 4.46Å
77	A	98.8	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103	-172.3	0	0	0	0	0	110.2	L62 V75 L103 Q104 C105	L62-A77 HydrophobicContact CD1-CB 3.84Å; L62-A77 HydrophobicContact CD2-CB 3.91Å; L62-A77 HydrophobicContact CG-CB 3.79Å; V75-A77 HydrophobicContact CG1-CB 4.42Å; A77-L103 PolarHBondContact N-O 3.31Å; A77-Q104 HydrophobicContact CB-CB 4.43Å; A77-Q104 HydrophobicContact CB-CG 4.31Å; A77-Q104 CarbonylContact O-C 3.53Å; A77-Q104 VanDerWaalsContact O-CA 3.28Å; A77-Q104 WeakPolarHBondContact O-CA 3.43Å; A77-C105 PolarHBondContact O-N 2.86Å
78	L	98.8	Very high	97.2	Very high	20 Å²	20	33.3 Å²	33.3	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123	-170.4	-44.9	-179.3	0	0	0	110.9	G53 F54 S55 C80 C105 E150 M151 V154	G53-L78 PolarHBondContact O-N 2.99Å; F54-L78 CarbonylContact C-O 3.54Å; F54-L78 VanDerWaalsContact CA-O 3.31Å; F54-L78 WeakPolarHBondContact CA-O 3.36Å; F54-L78 HydrophobicContact CB-CB 4.47Å; F54-L78 HydrophobicContact CD2-CB 4.05Å; S55-L78 PolarHBondContact N-O 2.82Å; L78-C80 VanDerWaalsContact C-N 3.32Å; L78-C80 PolarHBondContact O-N 2.87Å; L78-C105 HydrophobicContact CD2-CB 3.65Å; L78-E150 HydrophobicContact CD2-CG 4.34Å; L78-M151 HydrophobicContact CD1-CE 4.09Å; L78-V154 HydrophobicContact CD1-CG2 4.49Å; L78-V154 HydrophobicContact CD2-CG2 3.9Å
79	S	98.4	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	45.8	50.9	176.7	-58.4	0	0	0	0	113.4	S55 C105	S55-S79 WeakPolarHBondContact CA-O 3.42Å; S79-C105 PolarHBondContact N-O 2.93Å
80	C	97.9	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.			trans	-135.1	-171.7	-171.7	74.1	0	0	0	0	113.4	S55 G58 L78	S55-C80 WeakPolarHBondContact O-CB 3.43Å; G58-C80 VanDerWaalsContact C-SG 3.58Å; L78-C80 VanDerWaalsContact C-N 3.32Å; L78-C80 PolarHBondContact O-N 2.87Å
81	W	97.8	Very high	96.4	Very high	40 Å²	40	35.7 Å²	35.7	15%	0.152	20%	0.202	C	C	.	.			trans	-134.2	163	176.6	68.9	103.1	0	0	0	111	F9 E20 Q56 A59 P83 V113 F117 T121	F9-W81 HydrophobicContact CE2-CZ2 4.23Å; F9-W81 HydrophobicContact CZ-CZ2 4.14Å; E20-W81 PolarHBondContact OE1-NE1 2.86Å; Q56-W81 HydrophobicContact CB-CH2 4.21Å; Q56-W81 HydrophobicContact CG-CH2 4.41Å; A59-W81 WeakPolarHBondContact CA-O 3.37Å; A59-W81 HydrophobicContact CB-CD2 3.94Å; A59-W81 HydrophobicContact CB-CE3 4.2Å; A59-W81 HydrophobicContact CB-CG 4.43Å; A59-W81 HydrophobicContact CB-CH2 4.37Å; A59-W81 HydrophobicContact CB-CZ2 4.13Å; A59-W81 HydrophobicContact CB-CZ3 4.4Å; A59-W81 WeakPolarHBondContact CB-O 3.45Å; W81-P83 WeakPolarHBondContact O-CD 3.26Å; W81-V113 HydrophobicContact CE3-CG1 4.2Å; W81-V113 HydrophobicContact CE3-CG2 4.17Å; W81-V113 HydrophobicContact CZ3-CG2 4.09Å; W81-F117 HydrophobicContact CB-CB 4.33Å; W81-T121 VanDerWaalsContact CA-OG1 3.32Å; W81-T121 WeakPolarHBondContact CA-OG1 3.46Å
82	L	97.8	Very high	96	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	20%	0.199	C	C	.	.			trans	-85.3	112.5	166.7	174.8	66.2	0	0	0	109.2	L62 L66 R85 F88 T121 K124 L125 L128	L62-L82 HydrophobicContact CB-CD1 4.1Å; L66-L82 HydrophobicContact CD1-CD1 3.65Å; L66-L82 HydrophobicContact CD1-CD2 4.39Å; L82-R85 HydrophobicContact CD2-CG 4.42Å; L82-F88 HydrophobicContact CD1-CD2 4.49Å; L82-F88 HydrophobicContact CD1-CE2 3.79Å; L82-F88 HydrophobicContact CD1-CZ 4.13Å; L82-F88 HydrophobicContact CD2-CD2 4.1Å; L82-F88 HydrophobicContact CD2-CE2 4.21Å; L82-F88 HydrophobicContact CG-CD2 4.39Å; L82-F88 HydrophobicContact CG-CE2 4.11Å; L82-T121 HydrophobicContact CB-CG2 3.71Å; L82-T121 PolarHBondContact N-OG1 2.84Å; L82-K124 HydrophobicContact CD2-CB 4.36Å; L82-K124 HydrophobicContact CD2-CG 3.85Å; L82-L125 HydrophobicContact CD2-CD2 4.37Å; L82-L128 HydrophobicContact CD2-CD1 3.99Å
83	P	97	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	155.3	178.3	32.5	-34.7	0	0	0	110.6	E20 I25 A59 Y63 W81 R85	E20-P83 VanDerWaalsContact OE1-CA 3.27Å; E20-P83 WeakPolarHBondContact OE1-CA 3.25Å; E20-P83 WeakPolarHBondContact OE1-CB 3.12Å; I25-P83 HydrophobicContact CD1-CB 3.94Å; I25-P83 HydrophobicContact CG2-CB 4.4Å; I25-P83 HydrophobicContact CG2-CG 4.23Å; A59-P83 HydrophobicContact CB-CG 4.26Å; A59-P83 VanDerWaalsContact O-CD 3.26Å; A59-P83 WeakPolarHBondContact O-CD 3.25Å; Y63-P83 HydrophobicContact CD2-CG 4.22Å; Y63-P83 HydrophobicContact CG-CG 4.25Å; W81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-R85 PolarHBondContact O-N 3.2Å
84	L	95.9	Very high	95.1	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.089	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	34.7	-176.1	-51.4	175.8	0	0	0	112	E20 E22 I25 Y63 A86 S87 F88	E20-L84 HydrophobicContact CB-CD2 4Å; E20-L84 VanDerWaalsContact OE2-CA 3.31Å; E20-L84 WeakPolarHBondContact OE2-CA 3.13Å; E20-L84 PolarHBondContact OE2-N 2.97Å; E22-L84 HydrophobicContact CB-CD1 4.25Å; E22-L84 HydrophobicContact CB-CD2 3.87Å; E22-L84 HydrophobicContact CG-CD1 3.8Å; E22-L84 HydrophobicContact CG-CD2 4.15Å; I25-L84 HydrophobicContact CB-CD1 4.39Å; I25-L84 HydrophobicContact CD1-CD1 4.48Å; I25-L84 HydrophobicContact CD1-CD2 4.17Å; I25-L84 HydrophobicContact CD1-CG 4.08Å; I25-L84 HydrophobicContact CG2-CD1 4.05Å; I25-L84 HydrophobicContact CG2-CG 4.48Å; Y63-L84 HydrophobicContact CE2-CB 4.13Å; Y63-L84 HydrophobicContact CE2-CD1 3.7Å; Y63-L84 HydrophobicContact CE2-CG 4.34Å; L84-A86 PolarHBondContact O-N 3.33Å; L84-S87 WeakPolarHBondContact CB-OG 3.31Å; L84-S87 PolarHBondContact O-N 3.17Å; L84-S87 PolarHBondContact O-OG 3Å; L84-F88 WeakPolarHBondContact O-CD2 3.25Å
85	R	94.9	Very high	94.5	Very high	68 Å²	68	38.5 Å²	38.5	26%	0.257	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-47.9	-39.5	-175.5	-171.7	-177.1	63.5	-122.6	-4.5	112.8	L82 P83 F88 K124	L82-R85 HydrophobicContact CD2-CG 4.42Å; P83-R85 PolarHBondContact O-N 3.2Å; R85-F88 PolarHBondContact O-N 2.97Å; R85-K124 HydrophobicContact CG-CB 4.06Å; R85-K124 HydrophobicContact CG-CD 4.4Å; R85-K124 HydrophobicContact CG-CG 3.8Å; R85-K124 VanDerWaalsContact O-CE 3.31Å; R85-K124 WeakPolarHBondContact O-CE 3.38Å
86	A	92.9	Very high	94.1	Very high	92 Å²	92	40.4 Å²	40.4	76%	0.76	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-73.1	-22.7	-178.3	0	0	0	0	0	114.1	L84 F88	L84-A86 PolarHBondContact O-N 3.33Å; A86-F88 VanDerWaalsContact C-N 3.3Å
87	S	93.8	Very high	94	Very high	78 Å²	78	40 Å²	40	55%	0.545	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-79.2	-15.3	177.5	74.7	0	0	0	0	112.9	L84	L84-S87 WeakPolarHBondContact CB-OG 3.31Å; L84-S87 PolarHBondContact O-N 3.17Å; L84-S87 PolarHBondContact O-OG 3Å
88	F	95.9	Very high	93.8	Very high	14 Å²	14	46.6 Å²	46.6	6%	0.061	29%	0.292	C	S	.	.	S	Bend	trans	-75.7	145.3	175.8	-77.2	-85.3	0	0	0	111.7	Y63 L66 T67 L82 L84 R85 A86 I93 K124 L128	Y63-F88 AromaticContact CD2-CE2 3.8Å; Y63-F88 HydrophobicContact CD2-CE2 3.8Å; Y63-F88 AromaticContact CD2-CZ 3.75Å; Y63-F88 HydrophobicContact CD2-CZ 3.75Å; Y63-F88 AromaticContact CE2-CE2 3.99Å; Y63-F88 HydrophobicContact CE2-CE2 3.99Å; Y63-F88 AromaticContact CE2-CZ 3.97Å; Y63-F88 HydrophobicContact CE2-CZ 3.97Å; L66-F88 HydrophobicContact CB-CE1 3.7Å; L66-F88 HydrophobicContact CB-CZ 4.05Å; L66-F88 HydrophobicContact CD1-CE1 4.1Å; L66-F88 HydrophobicContact CD1-CZ 4.13Å; T67-F88 HydrophobicContact CG2-CE1 4.12Å; T67-F88 HydrophobicContact CG2-CZ 4.09Å; L82-F88 HydrophobicContact CD1-CD2 4.49Å; L82-F88 HydrophobicContact CD1-CE2 3.79Å; L82-F88 HydrophobicContact CD1-CZ 4.13Å; L82-F88 HydrophobicContact CD2-CD2 4.1Å; L82-F88 HydrophobicContact CD2-CE2 4.21Å; L82-F88 HydrophobicContact CG-CD2 4.39Å; L82-F88 HydrophobicContact CG-CE2 4.11Å; L84-F88 WeakPolarHBondContact O-CD2 3.25Å; R85-F88 PolarHBondContact O-N 2.97Å; A86-F88 VanDerWaalsContact C-N 3.3Å; F88-I93 HydrophobicContact CD1-CG2 4.31Å; F88-K124 PolarHBondContact O-NZ 3.11Å; F88-K124 VanDerWaalsContact O-NZ 3.09Å; F88-L128 HydrophobicContact CB-CD1 3.84Å; F88-L128 HydrophobicContact CB-CD2 3.84Å; F88-L128 HydrophobicContact CB-CG 4.49Å; F88-L128 HydrophobicContact CD1-CD1 3.74Å; F88-L128 HydrophobicContact CD1-CD2 4.39Å; F88-L128 HydrophobicContact CE1-CD1 4.45Å; F88-L128 HydrophobicContact CG-CD1 3.78Å; F88-L128 HydrophobicContact CG-CD2 4.49Å
89	P	94.6	Very high	93.7	Very high	64 Å²	64	50 Å²	50	42%	0.416	31%	0.311	S	S	.	.			trans	-57.7	157.9	-179.4	25.7	-35.2	0	0	0	112.3	G91 I93 K124 L128	P89-G91 VanDerWaalsContact C-N 3.26Å; P89-G91 PolarHBondContact O-N 3.41Å; P89-I93 HydrophobicContact CG-CG2 4.21Å; P89-K124 PolarHBondContact O-NZ 3.16Å; P89-L128 HydrophobicContact CG-CD2 3.99Å; P89-L128 VanDerWaalsContact O-CD2 3.28Å; P89-L128 WeakPolarHBondContact O-CD2 3.39Å
90	Q	90.1	Very high	93.7	Very high	164 Å²	164	50.3 Å²	50.3	77%	0.766	31%	0.312	S	S	*	.	S	Bend	trans	-70.3	-26.5	176.9	-63.1	-57.9	-26.2	0	0	112.6	T127	Q90-T127 PolarHBondContact O-OG1 3.19Å
91	G	89.1	Confident	93.7	Very high	30 Å²	30	51.5 Å²	51.5	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	-111.4	-163.8	176.3	0	0	0	0	0	113	P89 T127 L128	P89-G91 VanDerWaalsContact C-N 3.26Å; P89-G91 PolarHBondContact O-N 3.41Å; G91-T127 CarbonylContact C-O 3.52Å; G91-L128 WeakPolarHBondContact O-CD2 3.35Å
92	P	89.8	Confident	93.8	Very high	74 Å²	74	49.6 Å²	49.6	48%	0.481	31%	0.313	S	S	.	.			trans	-57.5	145.3	-175.8	-25.9	34.4	0	0	0	113.2	T127 L128	P92-T127 WeakPolarHBondContact CA-O 3.29Å; P92-L128 CarbonylContact C-O 3.55Å; P92-L128 VanDerWaalsContact CA-O 3.24Å; P92-L128 WeakPolarHBondContact CA-O 3.33Å
93	I	92.9	Very high	93.9	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.067	31%	0.314	C	S	.	.			trans	-66.7	145.2	169.9	59.6	168.4	0	0	0	110.2	L66 F88 P89 G95 L128 V129	L66-I93 HydrophobicContact CB-CD1 4.5Å; L66-I93 HydrophobicContact CD2-CD1 3.94Å; F88-I93 HydrophobicContact CD1-CG2 4.31Å; P89-I93 HydrophobicContact CG-CG2 4.21Å; I93-G95 VanDerWaalsContact C-N 3.27Å; I93-G95 PolarHBondContact O-N 2.99Å; I93-L128 WeakPolarHBondContact CG1-O 3.44Å; I93-L128 HydrophobicContact CG2-CB 4.1Å; I93-L128 HydrophobicContact CG2-CD2 3.98Å; I93-L128 HydrophobicContact CG2-CG 4.46Å; I93-L128 PolarHBondContact N-O 2.92Å; I93-V129 HydrophobicContact CD1-CG1 4.24Å; I93-V129 HydrophobicContact CG1-CG1 4.44Å
94	G	85.1	Confident	93.9	Very high	93 Å²	93	49.7 Å²	49.7	96%	0.959	31%	0.314	S	S	*	.			trans	-82.8	2.5	175.3	0	0	0	0	0	114.6
95	G	84.4	Confident	94.1	Very high	27 Å²	27	48.9 Å²	48.9	28%	0.278	31%	0.31	S	S	.	.	S	Bend	trans	-87.7	177.7	-172.2	0	0	0	0	0	115.1	I93 N97 R98	I93-G95 VanDerWaalsContact C-N 3.27Å; I93-G95 PolarHBondContact O-N 2.99Å; G95-N97 PolarHBondContact O-N 3.46Å; G95-N97 VanDerWaalsContact O-N 3.08Å; G95-R98 PolarHBondContact O-N 3.41Å
96	A	91.4	Very high	94.3	Very high	42 Å²	42	45.7 Å²	45.7	35%	0.347	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.8	-176.9	0	0	0	0	0	114.9	Q69 K71	Q69-A96 VanDerWaalsContact O-CB 3.25Å; Q69-A96 WeakPolarHBondContact O-CB 3.5Å; K71-A96 HydrophobicContact CB-CB 4.22Å
97	N	96.2	Very high	94.5	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	22.8	-172.1	-70.9	-42.7	0	0	0	114.1	A65 T68 Q70 K71 L72 G95 D99 I100	A65-N97 PolarHBondContact O-ND2 3.26Å; T68-N97 WeakPolarHBondContact CG2-ND2 3.09Å; Q70-N97 PolarHBondContact O-ND2 3.1Å; Q70-N97 PolarHBondContact O-OD1 3.04Å; K71-N97 WeakPolarHBondContact CA-OD1 3.34Å; L72-N97 PolarHBondContact N-OD1 3.35Å; G95-N97 PolarHBondContact O-N 3.46Å; G95-N97 VanDerWaalsContact O-N 3.08Å; N97-D99 PolarHBondContact O-N 2.97Å; N97-I100 HydrophobicContact CB-CB 3.92Å; N97-I100 HydrophobicContact CB-CD1 4.11Å; N97-I100 HydrophobicContact CB-CG2 4.15Å; N97-I100 WeakPolarHBondContact O-CB 3.27Å; N97-I100 WeakPolarHBondContact O-CG2 3.43Å; N97-I100 PolarHBondContact O-N 3.09Å; N97-I100 VanDerWaalsContact O-N 3.09Å
98	R	95.6	Very high	94.7	Very high	138 Å²	138	40.6 Å²	40.6	52%	0.521	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31	175.5	-176.2	177.9	172.7	-171.5	-1.8	113.4	G95 V129 N130	G95-R98 PolarHBondContact O-N 3.41Å; R98-V129 CarbonylContact O-C 3.54Å; R98-V129 WeakPolarHBondContact O-CA 3.27Å; R98-V129 WeakPolarHBondContact O-CB 3.31Å; R98-N130 PolarHBondContact O-N 2.6Å
99	D	96.6	Very high	94.8	Very high	92 Å²	92	43.1 Å²	43.1	49%	0.492	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	17.7	178.5	-65.5	-61.2	0	0	0	113.2	N97 N130 N133	N97-D99 PolarHBondContact O-N 2.97Å; D99-N130 PolarHBondContact OD1-ND2 2.99Å; D99-N133 PolarHBondContact O-ND2 3.2Å
100	I	98.4	Very high	95	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	25%	0.252	C	S	.	.			trans	-61.1	141.9	179.8	-165.1	168.1	0	0	0	111.5	A65 L72 V75 N97 I102 V129 N133	A65-I100 HydrophobicContact CB-CD1 4Å; L72-I100 HydrophobicContact CB-CD1 3.89Å; V75-I100 HydrophobicContact CG2-CD1 3.69Å; N97-I100 HydrophobicContact CB-CB 3.92Å; N97-I100 HydrophobicContact CB-CD1 4.11Å; N97-I100 HydrophobicContact CB-CG2 4.15Å; N97-I100 WeakPolarHBondContact O-CB 3.27Å; N97-I100 WeakPolarHBondContact O-CG2 3.43Å; N97-I100 PolarHBondContact O-N 3.09Å; N97-I100 VanDerWaalsContact O-N 3.09Å; I100-I102 HydrophobicContact CG2-CD1 4.03Å; I100-I102 HydrophobicContact CG2-CG1 3.95Å; I100-V129 HydrophobicContact CG2-CB 4.5Å; I100-V129 HydrophobicContact CG2-CG1 4Å; I100-N133 WeakPolarHBondContact O-CB 3.31Å
101	S	98.7	Very high	95.2	Very high	25 Å²	25	37 Å²	37	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132	172.2	-66.4	0	0	0	0	110.3	G74 V75	G74-S101 CarbonylContact C-O 3.2Å; G74-S101 WeakPolarHBondContact CA-O 3.24Å; V75-S101 PolarHBondContact N-O 2.97Å
102	I	98.9	Very high	95.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.1	179.4	-54.3	179.6	0	0	0	109.2	L62 V75 I100 L125 V129 N133 V134 T135	L62-I102 HydrophobicContact CD2-CD1 4.49Å; L62-I102 HydrophobicContact CD2-CG2 4.13Å; V75-I102 HydrophobicContact CB-CG1 4.37Å; V75-I102 HydrophobicContact CB-CG2 4.41Å; V75-I102 WeakPolarHBondContact O-CA 3.36Å; I100-I102 HydrophobicContact CG2-CD1 4.03Å; I100-I102 HydrophobicContact CG2-CG1 3.95Å; I102-L125 HydrophobicContact CD1-CD1 4.25Å; I102-L125 HydrophobicContact CD1-CD2 4.01Å; I102-L125 HydrophobicContact CG2-CD1 4.21Å; I102-V129 HydrophobicContact CD1-CG2 4.04Å; I102-N133 PolarHBondContact N-O 3.18Å; I102-V134 HydrophobicContact CD1-CG2 4.48Å; I102-T135 PolarHBondContact O-N 2.94Å
103	L	98.9	Very high	95.7	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.6	163	174.5	64.8	0	0	0	108.1	V75 T76 A77 T135 K137 D153 V154 F157	V75-L103 PolarHBondContact O-N 3.28Å; T76-L103 CarbonylContact C-O 3.38Å; T76-L103 WeakPolarHBondContact CA-O 3.26Å; T76-L103 HydrophobicContact CG2-CB 4.5Å; A77-L103 PolarHBondContact N-O 3.31Å; L103-T135 HydrophobicContact CD1-CG2 3.92Å; L103-K137 HydrophobicContact CD1-CD 4.45Å; L103-K137 HydrophobicContact CD1-CG 4.48Å; L103-D153 HydrophobicContact CD2-CB 4.4Å; L103-V154 HydrophobicContact CD2-CG2 4.05Å; L103-F157 HydrophobicContact CB-CB 4.47Å; L103-F157 HydrophobicContact CB-CD1 4.23Å; L103-F157 HydrophobicContact CB-CD2 3.65Å; L103-F157 HydrophobicContact CB-CE1 4.32Å; L103-F157 HydrophobicContact CB-CE2 3.76Å; L103-F157 HydrophobicContact CB-CG 3.87Å; L103-F157 HydrophobicContact CB-CZ 4.08Å; L103-F157 HydrophobicContact CD2-CB 3.82Å; L103-F157 HydrophobicContact CD2-CD2 4.49Å; L103-F157 HydrophobicContact CD2-CG 4.12Å
104	Q	98.9	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.1	171.2	-173.1	-173.8	-26.5	0	0	109.6	A77 G118 T135 F136 K137	A77-Q104 HydrophobicContact CB-CB 4.43Å; A77-Q104 HydrophobicContact CB-CG 4.31Å; A77-Q104 CarbonylContact O-C 3.53Å; A77-Q104 VanDerWaalsContact O-CA 3.28Å; A77-Q104 WeakPolarHBondContact O-CA 3.43Å; Q104-G118 VanDerWaalsContact NE2-C 3.33Å; Q104-G118 PolarHBondContact NE2-O 3.06Å; Q104-T135 PolarHBondContact N-O 2.87Å; Q104-F136 HydrophobicContact CB-CD2 3.96Å; Q104-F136 HydrophobicContact CG-CD2 3.8Å; Q104-F136 HydrophobicContact CG-CE2 4.11Å; Q104-F136 CarbonylContact O-C 3.55Å; Q104-F136 VanDerWaalsContact O-CA 3.29Å; Q104-F136 WeakPolarHBondContact O-CA 3.48Å; Q104-K137 PolarHBondContact O-N 2.85Å
105	C	98.9	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.3	-177.1	-70.4	0	0	0	0	109.8	A77 L78 S79 K137 Y139 E150	A77-C105 PolarHBondContact O-N 2.86Å; L78-C105 HydrophobicContact CD2-CB 3.65Å; S79-C105 PolarHBondContact N-O 2.93Å; C105-K137 CarbonylContact C-O 3.52Å; C105-K137 VanDerWaalsContact CA-O 3.32Å; C105-K137 WeakPolarHBondContact CA-O 3.48Å; C105-Y139 HydrophobicContact CB-CE2 3.67Å; C105-Y139 PolarHBondContact SG-OH 2.8Å; C105-Y139 VanDerWaalsContact SG-OH 3.38Å; C105-E150 HydrophobicContact CB-CG 3.82Å; C105-E150 WeakPolarHBondContact CB-OE1 3.18Å
106	H	98.8	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.6	-178.6	-137.7	103.5	0	0	0	112.7	D110 V113 L115 F136 K137 T138 Y139	H106-D110 IonicContact NE2-OD2 3.75Å; H106-V113 PolarHBondContact NE2-O 3.41Å; H106-L115 HydrophobicContact CB-CD1 3.84Å; H106-F136 HydrophobicContact CB-CE2 3.93Å; H106-F136 HydrophobicContact CB-CZ 4.24Å; H106-K137 PolarHBondContact N-O 3.21Å; H106-T138 CarbonylContact O-C 3.58Å; H106-T138 VanDerWaalsContact O-CA 3.23Å; H106-T138 WeakPolarHBondContact O-CA 3.48Å; H106-Y139 PolarHBondContact O-N 3.43Å
107	G	98.6	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.1	169.8	0	0	0	0	0	111.6	C109 D110 M142	G107-C109 PolarHBondContact O-N 3.11Å; G107-D110 WeakPolarHBondContact O-CB 3.43Å; G107-D110 PolarHBondContact O-N 2.62Å; G107-M142 CarbonylContact C-O 3.56Å; G107-M142 WeakPolarHBondContact CA-O 3.23Å; G107-M142 VanDerWaalsContact N-CE 3.3Å
108	D	98	Very high	97.2	Very high	64 Å²	64	39.4 Å²	39.4	34%	0.342	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.8	-178.8	70.7	-7.2	0	0	0	114	L115 Y139 E140 G141 M142	D108-L115 HydrophobicContact CB-CD2 4.14Å; D108-Y139 PolarHBondContact N-O 3.47Å; D108-E140 WeakPolarHBondContact OD2-CA 3.11Å; D108-G141 PolarHBondContact OD1-N 2.78Å; D108-M142 PolarHBondContact N-O 2.87Å
109	C	97.7	Very high	97.3	Very high	66 Å²	66	34.8 Å²	34.8	45%	0.446	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	20.7	177.7	-66.1	0	0	0	0	112.3	G107 P111 M142 M143	G107-C109 PolarHBondContact O-N 3.11Å; C109-P111 WeakPolarHBondContact O-CD 3.24Å; C109-M142 CarbonylContact C-O 3.58Å; C109-M142 WeakPolarHBondContact CA-O 3.32Å; C109-M142 PolarHBondContact N-O 2.82Å; C109-M143 HydrophobicContact CB-CG 4.18Å
110	D	97.8	Very high	97.4	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.048	19%	0.189	C	C	.	.			trans	-66.6	114.2	-179	-169.7	-29.9	0	0	0	111.9	H106 G107 L112 V113 H144	H106-D110 IonicContact NE2-OD2 3.75Å; G107-D110 WeakPolarHBondContact O-CB 3.43Å; G107-D110 PolarHBondContact O-N 2.62Å; D110-L112 PolarHBondContact OD1-N 2.89Å; D110-V113 WeakPolarHBondContact CB-O 3.42Å; D110-V113 PolarHBondContact OD1-N 3.41Å; D110-H144 VanDerWaalsContact CG-ND1 3.34Å; D110-H144 VanDerWaalsContact OD1-CB 3.32Å; D110-H144 WeakPolarHBondContact OD1-CB 3.38Å; D110-H144 IonicContact OD1-CG 3.3Å; D110-H144 IonicContact OD1-ND1 3.21Å; D110-H144 PolarHBondContact OD1-ND1 3.15Å; D110-H144 IonicContact OD2-CE1 2.73Å; D110-H144 IonicContact OD2-CG 2.66Å; D110-H144 IonicContact OD2-ND1 2.6Å; D110-H144 PolarHBondContact OD2-ND1 3.46Å
111	P	94.9	Very high	97.4	Very high	92 Å²	92	32.7 Å²	32.7	60%	0.597	19%	0.188	S	C	*	.	S	Bend	trans	-87.2	-11.8	-178.4	35.7	-34.4	0	0	0	113.6	C109	C109-P111 WeakPolarHBondContact O-CD 3.24Å
112	L	93.1	Very high	97.4	Very high	101 Å²	101	31.9 Å²	31.9	53%	0.529	18%	0.182	S	C	.	.	S	Bend	trans	-101.7	-44	-174.2	-66.5	-176.2	0	0	0	111.9	D110 H144	D110-L112 PolarHBondContact OD1-N 2.89Å; L112-H144 HydrophobicContact CB-CB 4.12Å; L112-H144 HydrophobicContact CD1-CB 4.01Å; L112-H144 HydrophobicContact CG-CB 4.18Å
113	V	95.2	Very high	97.3	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.042	21%	0.209	C	C	.	.	S	Bend	trans	-119.2	88.5	170.7	-175.4	0	0	0	0	106.3	W81 H106 D110 L115 F117	W81-V113 HydrophobicContact CE3-CG1 4.2Å; W81-V113 HydrophobicContact CE3-CG2 4.17Å; W81-V113 HydrophobicContact CZ3-CG2 4.09Å; H106-V113 PolarHBondContact NE2-O 3.41Å; D110-V113 WeakPolarHBondContact CB-O 3.42Å; D110-V113 PolarHBondContact OD1-N 3.41Å; V113-L115 PolarHBondContact O-N 3.08Å; V113-F117 HydrophobicContact CG1-CB 3.96Å; V113-F117 HydrophobicContact CG1-CD2 4.27Å; V113-F117 HydrophobicContact CG1-CG 4.39Å
114	P	95.6	Very high	97.3	Very high	48 Å²	48	38.5 Å²	38.5	31%	0.312	21%	0.212	S	C	.	.			trans	-53	142.8	-175.8	-27.4	34.9	0	0	0	111.7	M116 F117	P114-M116 PolarHBondContact O-N 2.76Å; P114-F117 HydrophobicContact CB-CD1 4.14Å; P114-F117 HydrophobicContact CB-CE1 4.23Å; P114-F117 HydrophobicContact CG-CD1 4.32Å; P114-F117 HydrophobicContact CG-CE1 3.99Å; P114-F117 WeakPolarHBondContact O-CB 3.4Å; P114-F117 PolarHBondContact O-N 3.45Å
115	L	97.1	Very high	97.3	Very high	48 Å²	48	38.5 Å²	38.5	25%	0.251	21%	0.212	S	C	.	.	H	α-helix	trans	-48.6	-33.9	-178.9	177.1	63.1	0	0	0	113.2	H106 D108 V113 F117 G118 S119 F136 T138	H106-L115 HydrophobicContact CB-CD1 3.84Å; D108-L115 HydrophobicContact CB-CD2 4.14Å; V113-L115 PolarHBondContact O-N 3.08Å; L115-F117 PolarHBondContact O-N 3.45Å; L115-F117 VanDerWaalsContact O-N 3.15Å; L115-G118 CarbonylContact O-C 3.17Å; L115-G118 WeakPolarHBondContact O-CA 3.32Å; L115-G118 PolarHBondContact O-N 3.43Å; L115-S119 PolarHBondContact O-N 3.24Å; L115-S119 PolarHBondContact O-OG 2.73Å; L115-F136 HydrophobicContact CD1-CZ 3.82Å; L115-T138 HydrophobicContact CD1-CG2 3.68Å; L115-T138 HydrophobicContact CD2-CG2 4.47Å
116	M	96.7	Very high	97.2	Very high	107 Å²	107	43.2 Å²	43.2	53%	0.527	23%	0.233	S	C	.	.	H	α-helix	trans	-51	-36	174.1	-176.8	-179.6	65.8	0	0	113.3	P16 P114 S119 L120	P16-M116 HydrophobicContact CG-CE 3.73Å; P114-M116 PolarHBondContact O-N 2.76Å; M116-S119 PolarHBondContact O-N 3.38Å; M116-L120 HydrophobicContact CG-CD1 4.26Å; M116-L120 VanDerWaalsContact O-CG 3.3Å; M116-L120 WeakPolarHBondContact O-CG 3.42Å; M116-L120 PolarHBondContact O-N 2.97Å
117	F	95.9	Very high	97.2	Very high	21 Å²	21	45.9 Å²	45.9	9%	0.092	25%	0.25	C	C	.	.	H	α-helix	trans	-70.7	-40.5	179.7	-70.9	40	0	0	0	110	L14 P16 W81 V113 P114 L115 T121	L14-F117 VanDerWaalsContact O-CZ 3.29Å; L14-F117 WeakPolarHBondContact O-CZ 3.29Å; P16-F117 VanDerWaalsContact CD-CE1 3.47Å; P16-F117 HydrophobicContact CG-CD1 3.83Å; P16-F117 HydrophobicContact CG-CE1 3.38Å; P16-F117 HydrophobicContact CG-CE2 4.35Å; P16-F117 HydrophobicContact CG-CZ 3.69Å; W81-F117 HydrophobicContact CB-CB 4.33Å; V113-F117 HydrophobicContact CG1-CB 3.96Å; V113-F117 HydrophobicContact CG1-CD2 4.27Å; V113-F117 HydrophobicContact CG1-CG 4.39Å; P114-F117 HydrophobicContact CB-CD1 4.14Å; P114-F117 HydrophobicContact CB-CE1 4.23Å; P114-F117 HydrophobicContact CG-CD1 4.32Å; P114-F117 HydrophobicContact CG-CE1 3.99Å; P114-F117 WeakPolarHBondContact O-CB 3.4Å; P114-F117 PolarHBondContact O-N 3.45Å; L115-F117 PolarHBondContact O-N 3.45Å; L115-F117 VanDerWaalsContact O-N 3.15Å; F117-T121 VanDerWaalsContact O-CB 3.28Å; F117-T121 WeakPolarHBondContact O-CB 3.32Å; F117-T121 PolarHBondContact O-N 2.83Å; F117-T121 PolarHBondContact O-OG1 2.88Å
118	G	97.4	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-45.8	170.8	0	0	0	0	0	111.6	Q104 L115 T121 V122	Q104-G118 VanDerWaalsContact NE2-C 3.33Å; Q104-G118 PolarHBondContact NE2-O 3.06Å; L115-G118 CarbonylContact O-C 3.17Å; L115-G118 WeakPolarHBondContact O-CA 3.32Å; L115-G118 PolarHBondContact O-N 3.43Å; G118-T121 WeakPolarHBondContact O-CB 3.29Å; G118-T121 PolarHBondContact O-N 2.89Å; G118-T121 VanDerWaalsContact O-N 3.17Å; G118-V122 PolarHBondContact O-N 3.17Å
119	S	98.1	Very high	97.2	Very high	40 Å²	40	43.1 Å²	43.1	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-48.8	177.3	-60.9	0	0	0	0	112.6	L115 M116 T121 V122 E123	L115-S119 PolarHBondContact O-N 3.24Å; L115-S119 PolarHBondContact O-OG 2.73Å; M116-S119 PolarHBondContact O-N 3.38Å; S119-T121 PolarHBondContact O-N 2.83Å; S119-V122 WeakPolarHBondContact O-CG1 3.03Å; S119-V122 PolarHBondContact O-N 2.8Å; S119-E123 WeakPolarHBondContact O-CG 3.28Å; S119-E123 PolarHBondContact O-N 2.82Å
120	L	97.6	Very high	97.2	Very high	52 Å²	52	42.7 Å²	42.7	27%	0.272	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-32.9	175.7	-70.4	171.6	0	0	0	112	P16 M116 K124	P16-L120 HydrophobicContact CB-CD1 4.24Å; P16-L120 HydrophobicContact CG-CD1 4.42Å; M116-L120 HydrophobicContact CG-CD1 4.26Å; M116-L120 VanDerWaalsContact O-CG 3.3Å; M116-L120 WeakPolarHBondContact O-CG 3.42Å; M116-L120 PolarHBondContact O-N 2.97Å; L120-K124 WeakPolarHBondContact O-CB 3.44Å; L120-K124 PolarHBondContact O-N 3.29Å; L120-K124 VanDerWaalsContact O-N 3.13Å
121	T	98.2	Very high	97.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-53.6	176.2	-64.6	0	0	0	0	110.9	L62 W81 L82 F117 G118 S119 E123 K124 L125	L62-T121 HydrophobicContact CD1-CG2 3.87Å; W81-T121 VanDerWaalsContact CA-OG1 3.32Å; W81-T121 WeakPolarHBondContact CA-OG1 3.46Å; L82-T121 HydrophobicContact CB-CG2 3.71Å; L82-T121 PolarHBondContact N-OG1 2.84Å; F117-T121 VanDerWaalsContact O-CB 3.28Å; F117-T121 WeakPolarHBondContact O-CB 3.32Å; F117-T121 PolarHBondContact O-N 2.83Å; F117-T121 PolarHBondContact O-OG1 2.88Å; G118-T121 WeakPolarHBondContact O-CB 3.29Å; G118-T121 PolarHBondContact O-N 2.89Å; G118-T121 VanDerWaalsContact O-N 3.17Å; S119-T121 PolarHBondContact O-N 2.83Å; T121-E123 VanDerWaalsContact C-N 3.29Å; T121-E123 PolarHBondContact O-N 2.83Å; T121-K124 PolarHBondContact O-N 2.98Å; T121-L125 HydrophobicContact CG2-CD1 3.84Å; T121-L125 HydrophobicContact CG2-CG 4.19Å; T121-L125 VanDerWaalsContact O-CG 3.26Å; T121-L125 WeakPolarHBondContact O-CG 3.32Å; T121-L125 PolarHBondContact O-N 3.27Å
122	V	98.6	Very high	97.3	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.055	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-37.6	-179.6	65.2	0	0	0	0	111.8	G118 S119 L125 K126 V134 F136	G118-V122 PolarHBondContact O-N 3.17Å; S119-V122 WeakPolarHBondContact O-CG1 3.03Å; S119-V122 PolarHBondContact O-N 2.8Å; V122-L125 PolarHBondContact O-N 2.91Å; V122-K126 HydrophobicContact CG2-CD 4.27Å; V122-K126 HydrophobicContact CG2-CG 4.47Å; V122-K126 WeakPolarHBondContact O-CG 3.26Å; V122-K126 PolarHBondContact O-N 2.89Å; V122-V134 HydrophobicContact CG2-CG1 3.73Å; V122-F136 HydrophobicContact CB-CB 4.12Å; V122-F136 HydrophobicContact CB-CD2 4.42Å; V122-F136 HydrophobicContact CB-CG 4.14Å; V122-F136 HydrophobicContact CG1-CB 4.31Å; V122-F136 HydrophobicContact CG1-CD1 3.89Å; V122-F136 HydrophobicContact CG1-CD2 4.49Å; V122-F136 HydrophobicContact CG1-CE1 4.28Å; V122-F136 HydrophobicContact CG1-CG 3.99Å; V122-F136 HydrophobicContact CG2-CB 3.64Å; V122-F136 HydrophobicContact CG2-CG 4.2Å
123	E	98.1	Very high	97.6	Very high	123 Å²	123	42.7 Å²	42.7	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-58.9	-49	175.1	-76.5	-178.7	170.6	0	0	111.1	S119 T121 K126 T127	S119-E123 WeakPolarHBondContact O-CG 3.28Å; S119-E123 PolarHBondContact O-N 2.82Å; T121-E123 VanDerWaalsContact C-N 3.29Å; T121-E123 PolarHBondContact O-N 2.83Å; E123-K126 PolarHBondContact O-N 3.17Å; E123-T127 WeakPolarHBondContact O-CG2 3.35Å; E123-T127 PolarHBondContact O-N 2.82Å
124	K	98.3	Very high	97.7	Very high	20 Å²	20	43 Å²	43	9%	0.087	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176	-174.7	62.7	165.5	177.5	0	111.7	L82 R85 F88 P89 L120 T121 K126 T127 L128	L82-K124 HydrophobicContact CD2-CB 4.36Å; L82-K124 HydrophobicContact CD2-CG 3.85Å; R85-K124 HydrophobicContact CG-CB 4.06Å; R85-K124 HydrophobicContact CG-CD 4.4Å; R85-K124 HydrophobicContact CG-CG 3.8Å; R85-K124 VanDerWaalsContact O-CE 3.31Å; R85-K124 WeakPolarHBondContact O-CE 3.38Å; F88-K124 PolarHBondContact O-NZ 3.11Å; F88-K124 VanDerWaalsContact O-NZ 3.09Å; P89-K124 PolarHBondContact O-NZ 3.16Å; L120-K124 WeakPolarHBondContact O-CB 3.44Å; L120-K124 PolarHBondContact O-N 3.29Å; L120-K124 VanDerWaalsContact O-N 3.13Å; T121-K124 PolarHBondContact O-N 2.98Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 2.94Å; K124-T127 PolarHBondContact O-N 2.94Å; K124-T127 PolarHBondContact O-OG1 3.29Å; K124-L128 HydrophobicContact CD-CD1 4.41Å; K124-L128 HydrophobicContact CD-CG 4.32Å; K124-L128 HydrophobicContact CG-CD1 3.9Å; K124-L128 HydrophobicContact CG-CG 4.22Å; K124-L128 WeakPolarHBondContact O-CG 3.14Å; K124-L128 PolarHBondContact O-N 2.89Å; K124-L128 VanDerWaalsContact O-N 3.15Å
125	L	98.4	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.2	-41.8	178.8	-69.8	174.5	0	0	0	111.6	L62 L66 L82 I102 T121 V122 T127 L128 V129 V134	L62-L125 HydrophobicContact CD2-CD1 3.98Å; L62-L125 HydrophobicContact CD2-CD2 4.2Å; L66-L125 HydrophobicContact CD1-CD2 3.71Å; L82-L125 HydrophobicContact CD2-CD2 4.37Å; I102-L125 HydrophobicContact CD1-CD1 4.25Å; I102-L125 HydrophobicContact CD1-CD2 4.01Å; I102-L125 HydrophobicContact CG2-CD1 4.21Å; T121-L125 HydrophobicContact CG2-CD1 3.84Å; T121-L125 HydrophobicContact CG2-CG 4.19Å; T121-L125 VanDerWaalsContact O-CG 3.26Å; T121-L125 WeakPolarHBondContact O-CG 3.32Å; T121-L125 PolarHBondContact O-N 3.27Å; V122-L125 PolarHBondContact O-N 2.91Å; L125-T127 PolarHBondContact O-N 2.72Å; L125-L128 PolarHBondContact O-N 3.48Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.43Å; L125-V129 PolarHBondContact O-N 2.89Å; L125-V134 HydrophobicContact CB-CG1 4.28Å; L125-V134 HydrophobicContact CB-CG2 4.42Å
126	K	98.2	Very high	98	Very high	99 Å²	99	44.2 Å²	44.2	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-19.6	175.7	-74.2	173	174.9	175.5	0	113.8	V122 E123 K124 P131 V134	V122-K126 HydrophobicContact CG2-CD 4.27Å; V122-K126 HydrophobicContact CG2-CG 4.47Å; V122-K126 WeakPolarHBondContact O-CG 3.26Å; V122-K126 PolarHBondContact O-N 2.89Å; E123-K126 PolarHBondContact O-N 3.17Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 2.94Å; K126-P131 HydrophobicContact CB-CB 4.25Å; K126-P131 HydrophobicContact CG-CB 4.23Å; K126-P131 WeakPolarHBondContact O-CG 3.47Å; K126-V134 HydrophobicContact CG-CB 4.22Å; K126-V134 HydrophobicContact CG-CG1 4.38Å
127	T	97.9	Very high	98.1	Very high	57 Å²	57	42.5 Å²	42.5	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-87.3	-27.1	171.5	82.8	0	0	0	0	112.6	Q90 G91 P92 E123 K124 L125	Q90-T127 PolarHBondContact O-OG1 3.19Å; G91-T127 CarbonylContact C-O 3.52Å; P92-T127 WeakPolarHBondContact CA-O 3.29Å; E123-T127 WeakPolarHBondContact O-CG2 3.35Å; E123-T127 PolarHBondContact O-N 2.82Å; K124-T127 PolarHBondContact O-N 2.94Å; K124-T127 PolarHBondContact O-OG1 3.29Å; L125-T127 PolarHBondContact O-N 2.72Å
128	L	98.1	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-87.1	-39.2	-173.8	-65.9	-179.2	0	0	0	113.2	L66 L82 F88 P89 G91 P92 I93 K124 L125	L66-L128 HydrophobicContact CD1-CD1 4.22Å; L82-L128 HydrophobicContact CD2-CD1 3.99Å; F88-L128 HydrophobicContact CB-CD1 3.84Å; F88-L128 HydrophobicContact CB-CD2 3.84Å; F88-L128 HydrophobicContact CB-CG 4.49Å; F88-L128 HydrophobicContact CD1-CD1 3.74Å; F88-L128 HydrophobicContact CD1-CD2 4.39Å; F88-L128 HydrophobicContact CE1-CD1 4.45Å; F88-L128 HydrophobicContact CG-CD1 3.78Å; F88-L128 HydrophobicContact CG-CD2 4.49Å; P89-L128 HydrophobicContact CG-CD2 3.99Å; P89-L128 VanDerWaalsContact O-CD2 3.28Å; P89-L128 WeakPolarHBondContact O-CD2 3.39Å; G91-L128 WeakPolarHBondContact O-CD2 3.35Å; P92-L128 CarbonylContact C-O 3.55Å; P92-L128 VanDerWaalsContact CA-O 3.24Å; P92-L128 WeakPolarHBondContact CA-O 3.33Å; I93-L128 WeakPolarHBondContact CG1-O 3.44Å; I93-L128 HydrophobicContact CG2-CB 4.1Å; I93-L128 HydrophobicContact CG2-CD2 3.98Å; I93-L128 HydrophobicContact CG2-CG 4.46Å; I93-L128 PolarHBondContact N-O 2.92Å; K124-L128 HydrophobicContact CD-CD1 4.41Å; K124-L128 HydrophobicContact CD-CG 4.32Å; K124-L128 HydrophobicContact CG-CD1 3.9Å; K124-L128 HydrophobicContact CG-CG 4.22Å; K124-L128 WeakPolarHBondContact O-CG 3.14Å; K124-L128 PolarHBondContact O-N 2.89Å; K124-L128 VanDerWaalsContact O-N 3.15Å; L125-L128 PolarHBondContact O-N 3.48Å
129	V	98	Very high	98.3	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	26%	0.255	C	S	.	.	S	Bend	trans	-121.2	175.1	-178	-58.3	0	0	0	0	110.4	L66 I93 R98 I100 I102 L125 P131 V134	L66-V129 HydrophobicContact CD2-CG1 3.61Å; I93-V129 HydrophobicContact CD1-CG1 4.24Å; I93-V129 HydrophobicContact CG1-CG1 4.44Å; R98-V129 CarbonylContact O-C 3.54Å; R98-V129 WeakPolarHBondContact O-CA 3.27Å; R98-V129 WeakPolarHBondContact O-CB 3.31Å; I100-V129 HydrophobicContact CG2-CB 4.5Å; I100-V129 HydrophobicContact CG2-CG1 4Å; I102-V129 HydrophobicContact CD1-CG2 4.04Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.43Å; L125-V129 PolarHBondContact O-N 2.89Å; V129-P131 WeakPolarHBondContact O-CD 3.24Å; V129-P131 VanDerWaalsContact O-N 3.08Å; V129-V134 HydrophobicContact CG2-CG2 3.44Å; V129-V134 VanDerWaalsContact CG2-CG2 3.44Å
130	N	97.4	Very high	98.3	Very high	56 Å²	56	52.9 Å²	52.9	30%	0.299	28%	0.284	S	S	.	.			trans	-56.4	114.1	174.3	-173.4	-18.9	0	0	0	110.2	R98 D99 A132 N133	R98-N130 PolarHBondContact O-N 2.6Å; D99-N130 PolarHBondContact OD1-ND2 2.99Å; N130-A132 PolarHBondContact O-N 3.16Å; N130-A132 VanDerWaalsContact O-N 3.11Å; N130-A132 WeakPolarHBondContact OD1-CB 3.43Å; N130-A132 PolarHBondContact OD1-N 3.34Å; N130-A132 VanDerWaalsContact OD1-N 3.16Å; N130-N133 HydrophobicContact CB-CB 4.48Å; N130-N133 PolarHBondContact O-N 3.3Å
131	P	97.9	Very high	98.3	Very high	72 Å²	72	52.8 Å²	52.8	47%	0.468	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.3	-174.9	-15.8	22.4	0	0	0	113.2	K126 V129 N133 V134	K126-P131 HydrophobicContact CB-CB 4.25Å; K126-P131 HydrophobicContact CG-CB 4.23Å; K126-P131 WeakPolarHBondContact O-CG 3.47Å; V129-P131 WeakPolarHBondContact O-CD 3.24Å; V129-P131 VanDerWaalsContact O-N 3.08Å; P131-N133 PolarHBondContact O-N 2.77Å; P131-V134 PolarHBondContact O-N 3.37Å
132	A	97.9	Very high	98.3	Very high	84 Å²	84	53.4 Å²	53.4	69%	0.694	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.8	179.3	0	0	0	0	0	113.1	N130	N130-A132 PolarHBondContact O-N 3.16Å; N130-A132 VanDerWaalsContact O-N 3.11Å; N130-A132 WeakPolarHBondContact OD1-CB 3.43Å; N130-A132 PolarHBondContact OD1-N 3.34Å; N130-A132 VanDerWaalsContact OD1-N 3.16Å
133	N	98.2	Very high	98.3	Very high	47 Å²	47	58.7 Å²	58.7	25%	0.251	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-97.4	1.3	-179	-66.6	-6.5	0	0	0	112.6	D99 I100 I102 N130 P131	D99-N133 PolarHBondContact O-ND2 3.2Å; I100-N133 WeakPolarHBondContact O-CB 3.31Å; I102-N133 PolarHBondContact N-O 3.18Å; N130-N133 HydrophobicContact CB-CB 4.48Å; N130-N133 PolarHBondContact O-N 3.3Å; P131-N133 PolarHBondContact O-N 2.77Å
134	V	98.8	Very high	98.3	Very high	12 Å²	12	54.8 Å²	54.8	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.2	179	-174.1	0	0	0	0	110	I102 V122 L125 K126 V129 P131	I102-V134 HydrophobicContact CD1-CG2 4.48Å; V122-V134 HydrophobicContact CG2-CG1 3.73Å; L125-V134 HydrophobicContact CB-CG1 4.28Å; L125-V134 HydrophobicContact CB-CG2 4.42Å; K126-V134 HydrophobicContact CG-CB 4.22Å; K126-V134 HydrophobicContact CG-CG1 4.38Å; V129-V134 HydrophobicContact CG2-CG2 3.44Å; V129-V134 VanDerWaalsContact CG2-CG2 3.44Å; P131-V134 PolarHBondContact O-N 3.37Å
135	T	98.8	Very high	98.3	Very high	64 Å²	64	56.9 Å²	56.9	39%	0.393	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.3	173.1	-59.4	0	0	0	0	109.4	I102 L103 Q104 K137	I102-T135 PolarHBondContact O-N 2.94Å; L103-T135 HydrophobicContact CD1-CG2 3.92Å; Q104-T135 PolarHBondContact N-O 2.87Å; T135-K137 HydrophobicContact CG2-CG 4.11Å
136	F	98.8	Very high	98.3	Very high	59 Å²	59	59.9 Å²	59.9	26%	0.259	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.4	173	178.5	-124	0	0	0	109.9	Q104 H106 L115 V122 T138	Q104-F136 HydrophobicContact CB-CD2 3.96Å; Q104-F136 HydrophobicContact CG-CD2 3.8Å; Q104-F136 HydrophobicContact CG-CE2 4.11Å; Q104-F136 CarbonylContact O-C 3.55Å; Q104-F136 VanDerWaalsContact O-CA 3.29Å; Q104-F136 WeakPolarHBondContact O-CA 3.48Å; H106-F136 HydrophobicContact CB-CE2 3.93Å; H106-F136 HydrophobicContact CB-CZ 4.24Å; L115-F136 HydrophobicContact CD1-CZ 3.82Å; V122-F136 HydrophobicContact CB-CB 4.12Å; V122-F136 HydrophobicContact CB-CD2 4.42Å; V122-F136 HydrophobicContact CB-CG 4.14Å; V122-F136 HydrophobicContact CG1-CB 4.31Å; V122-F136 HydrophobicContact CG1-CD1 3.89Å; V122-F136 HydrophobicContact CG1-CD2 4.49Å; V122-F136 HydrophobicContact CG1-CE1 4.28Å; V122-F136 HydrophobicContact CG1-CG 3.99Å; V122-F136 HydrophobicContact CG2-CB 3.64Å; V122-F136 HydrophobicContact CG2-CG 4.2Å; F136-T138 HydrophobicContact CD1-CG2 4.44Å; F136-T138 HydrophobicContact CE1-CG2 3.69Å; F136-T138 HydrophobicContact CE2-CG2 4.42Å; F136-T138 HydrophobicContact CZ-CG2 3.69Å
137	K	98.8	Very high	98.3	Very high	70 Å²	70	57 Å²	57	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.1	179.1	-66.8	-168.5	173.9	-164	0	110.3	L103 Q104 C105 H106 T135 Y139 D153	L103-K137 HydrophobicContact CD1-CD 4.45Å; L103-K137 HydrophobicContact CD1-CG 4.48Å; Q104-K137 PolarHBondContact O-N 2.85Å; C105-K137 CarbonylContact C-O 3.52Å; C105-K137 VanDerWaalsContact CA-O 3.32Å; C105-K137 WeakPolarHBondContact CA-O 3.48Å; H106-K137 PolarHBondContact N-O 3.21Å; T135-K137 HydrophobicContact CG2-CG 4.11Å; K137-Y139 HydrophobicContact CB-CE2 4.07Å; K137-D153 HydrophobicContact CD-CB 4.2Å; K137-D153 WeakPolarHBondContact CD-OD2 3.21Å; K137-D153 IonicContact NZ-OD1 3.65Å; K137-D153 PolarHBondContact NZ-OD1 3.04Å; K137-D153 IonicContact NZ-OD2 3.62Å; K137-D153 PolarHBondContact NZ-OD2 3.15Å
138	T	98.7	Very high	98.3	Very high	76 Å²	76	62.1 Å²	62.1	47%	0.466	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.3	173.9	56.1	0	0	0	0	110.1	H106 L115 F136	H106-T138 CarbonylContact O-C 3.58Å; H106-T138 VanDerWaalsContact O-CA 3.23Å; H106-T138 WeakPolarHBondContact O-CA 3.48Å; L115-T138 HydrophobicContact CD1-CG2 3.68Å; L115-T138 HydrophobicContact CD2-CG2 4.47Å; F136-T138 HydrophobicContact CD1-CG2 4.44Å; F136-T138 HydrophobicContact CE1-CG2 3.69Å; F136-T138 HydrophobicContact CE2-CG2 4.42Å; F136-T138 HydrophobicContact CZ-CG2 3.69Å
139	Y	98.7	Very high	98.3	Very high	17 Å²	17	67.5 Å²	67.5	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.1	-178	-57	-86.9	0	0	0	110	C105 H106 D108 K137 M142 Q149 E150 D153	C105-Y139 HydrophobicContact CB-CE2 3.67Å; C105-Y139 PolarHBondContact SG-OH 2.8Å; C105-Y139 VanDerWaalsContact SG-OH 3.38Å; H106-Y139 PolarHBondContact O-N 3.43Å; D108-Y139 PolarHBondContact N-O 3.47Å; K137-Y139 HydrophobicContact CB-CE2 4.07Å; Y139-M142 HydrophobicContact CD2-CE 3.67Å; Y139-M142 HydrophobicContact CD2-SD 4.35Å; Y139-M142 HydrophobicContact CG-CE 4.12Å; Y139-M142 HydrophobicContact CG-SD 4.25Å; Y139-M142 WeakPolarHBondContact O-CB 3.39Å; Y139-M142 PolarHBondContact O-N 3.34Å; Y139-Q149 HydrophobicContact CD1-CB 4.1Å; Y139-Q149 HydrophobicContact CD1-CG 4.16Å; Y139-Q149 HydrophobicContact CE1-CB 4.01Å; Y139-Q149 HydrophobicContact CE1-CG 3.83Å; Y139-E150 HydrophobicContact CD1-CB 4.42Å; Y139-E150 HydrophobicContact CD2-CB 4.28Å; Y139-E150 HydrophobicContact CE1-CB 3.95Å; Y139-E150 HydrophobicContact CE2-CB 3.83Å; Y139-E150 HydrophobicContact CE2-CG 3.84Å; Y139-E150 WeakPolarHBondContact OH-CA 3.34Å; Y139-D153 WeakPolarHBondContact CE1-OD2 3.4Å; Y139-D153 PolarHBondContact OH-OD2 3.21Å
140	E	98.2	Very high	98.3	Very high	187 Å²	187	67.2 Å²	67.2	87%	0.874	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	131	-174.5	-172.8	179.5	176	0	0	111.9	D108 M142	D108-E140 WeakPolarHBondContact OD2-CA 3.11Å; E140-M142 PolarHBondContact O-N 2.94Å; E140-M142 VanDerWaalsContact O-N 3.16Å
141	G	98.1	Very high	98.4	Very high	49 Å²	49	68.3 Å²	68.3	51%	0.505	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-2.9	-179.8	0	0	0	0	0	114.4	D108	D108-G141 PolarHBondContact OD1-N 2.78Å
142	M	98.5	Very high	98.4	Very high	14 Å²	14	69 Å²	69	7%	0.069	38%	0.381	C	S	.	.			trans	-77.7	128.5	179.6	-171.1	174.9	84.4	0	0	109.8	G107 D108 C109 Y139 E140 S145 S146 C147	G107-M142 CarbonylContact C-O 3.56Å; G107-M142 WeakPolarHBondContact CA-O 3.23Å; G107-M142 VanDerWaalsContact N-CE 3.3Å; D108-M142 PolarHBondContact N-O 2.87Å; C109-M142 CarbonylContact C-O 3.58Å; C109-M142 WeakPolarHBondContact CA-O 3.32Å; C109-M142 PolarHBondContact N-O 2.82Å; Y139-M142 HydrophobicContact CD2-CE 3.67Å; Y139-M142 HydrophobicContact CD2-SD 4.35Å; Y139-M142 HydrophobicContact CG-CE 4.12Å; Y139-M142 HydrophobicContact CG-SD 4.25Å; Y139-M142 WeakPolarHBondContact O-CB 3.39Å; Y139-M142 PolarHBondContact O-N 3.34Å; E140-M142 PolarHBondContact O-N 2.94Å; E140-M142 VanDerWaalsContact O-N 3.16Å; M142-S145 WeakPolarHBondContact CE-O 3.22Å; M142-S146 VanDerWaalsContact SD-C 3.58Å; M142-C147 HydrophobicContact SD-CB 3.79Å; M142-C147 VanDerWaalsContact SD-SG 3.69Å
143	M	98.4	Very high	98.5	Very high	120 Å²	120	65.4 Å²	65.4	59%	0.591	35%	0.35	S	S	*	.			trans	-89.3	-151.1	175.1	-60.1	-178.3	-175.8	0	0	110.7	C109 S145	C109-M143 HydrophobicContact CB-CG 4.18Å; M143-S145 PolarHBondContact O-N 3.17Å
144	H	98.1	Very high	98.5	Very high	42 Å²	42	64.1 Å²	64.1	19%	0.194	34%	0.344	C	S	.	.	S	Bend	trans	-74.1	68.4	172.8	-157.8	61.6	0	0	0	111.9	F54 S55 D110 L112	F54-H144 AromaticContact CE1-CD2 3.75Å; F54-H144 AromaticContact CE1-CE1 3.93Å; F54-H144 AromaticContact CE1-NE2 3.41Å; F54-H144 WeakPolarHBondContact CE1-NE2 3.48Å; F54-H144 AromaticContact CZ-CD2 3.66Å; F54-H144 AromaticContact CZ-CE1 3.73Å; F54-H144 AromaticContact CZ-CG 3.92Å; F54-H144 AromaticContact CZ-ND1 3.94Å; F54-H144 AromaticContact CZ-NE2 3.57Å; S55-H144 VanDerWaalsContact CB-NE2 3.35Å; S55-H144 WeakPolarHBondContact CB-NE2 3.42Å; S55-H144 PolarHBondContact OG-CE1 3.2Å; S55-H144 VanDerWaalsContact OG-CE1 3.31Å; S55-H144 PolarHBondContact OG-NE2 3.48Å; S55-H144 VanDerWaalsContact OG-NE2 3.07Å; D110-H144 VanDerWaalsContact CG-ND1 3.34Å; D110-H144 VanDerWaalsContact OD1-CB 3.32Å; D110-H144 WeakPolarHBondContact OD1-CB 3.38Å; D110-H144 IonicContact OD1-CG 3.3Å; D110-H144 IonicContact OD1-ND1 3.21Å; D110-H144 PolarHBondContact OD1-ND1 3.15Å; D110-H144 IonicContact OD2-CE1 2.73Å; D110-H144 IonicContact OD2-CG 2.66Å; D110-H144 IonicContact OD2-ND1 2.6Å; D110-H144 PolarHBondContact OD2-ND1 3.46Å; L112-H144 HydrophobicContact CB-CB 4.12Å; L112-H144 HydrophobicContact CD1-CB 4.01Å; L112-H144 HydrophobicContact CG-CB 4.18Å
145	S	98.1	Very high	98.5	Very high	64 Å²	64	68.8 Å²	68.8	45%	0.448	36%	0.363	S	S	.	.	S	Bend	trans	-153	-177.2	-177.1	-175.4	0	0	0	0	109.4	M142 M143	M142-S145 WeakPolarHBondContact CE-O 3.22Å; M143-S145 PolarHBondContact O-N 3.17Å
146	S	97.8	Very high	98.5	Very high	62 Å²	62	70.9 Å²	70.9	43%	0.434	37%	0.369	S	S	.	.			trans	-104.3	170.7	163.5	64.4	0	0	0	0	112.2	M142 E150	M142-S146 VanDerWaalsContact SD-C 3.58Å; S146-E150 WeakPolarHBondContact CA-OE2 3.47Å; S146-E150 WeakPolarHBondContact CB-OE2 3.36Å
147	C	98.4	Very high	98.5	Very high	39 Å²	39	69.3 Å²	69.3	26%	0.264	36%	0.362	S	S	.	.			trans	-139	167.6	170.4	71.3	0	0	0	0	111.5	M142 Q149 E150 M151	M142-C147 HydrophobicContact SD-CB 3.79Å; M142-C147 VanDerWaalsContact SD-SG 3.69Å; C147-Q149 VanDerWaalsContact C-N 3.27Å; C147-Q149 PolarHBondContact O-N 2.74Å; C147-E150 PolarHBondContact O-N 3.02Å; C147-E150 PolarHBondContact SG-N 3.34Å; C147-E150 VanDerWaalsContact SG-N 3.39Å; C147-M151 WeakPolarHBondContact O-CG 3.37Å; C147-M151 PolarHBondContact O-N 3.31Å; C147-M151 VanDerWaalsContact O-N 3.1Å
148	Q	98.3	Very high	98.5	Very high	165 Å²	165	69.1 Å²	69.1	77%	0.771	36%	0.363	S	S	*	.	H	α-helix	trans	-59.4	-38.5	179.8	-173.3	176.3	20.3	0	0	112.4	M151 M152	Q148-M151 PolarHBondContact O-N 2.92Å; Q148-M152 WeakPolarHBondContact O-CG 3.48Å; Q148-M152 PolarHBondContact O-N 3Å
149	Q	98.6	Very high	98.5	Very high	112 Å²	112	69.6 Å²	69.6	52%	0.523	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-41	179.2	-170.6	58.3	61.1	0	0	111.6	Y139 C147 M152 D153	Y139-Q149 HydrophobicContact CD1-CB 4.1Å; Y139-Q149 HydrophobicContact CD1-CG 4.16Å; Y139-Q149 HydrophobicContact CE1-CB 4.01Å; Y139-Q149 HydrophobicContact CE1-CG 3.83Å; C147-Q149 VanDerWaalsContact C-N 3.27Å; C147-Q149 PolarHBondContact O-N 2.74Å; Q149-M152 PolarHBondContact O-N 2.84Å; Q149-D153 VanDerWaalsContact O-CG 3.31Å; Q149-D153 PolarHBondContact O-N 2.97Å
150	E	98.8	Very high	98.4	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-61.1	-44.2	174	-174.4	-173.3	-128.2	0	0	111.7	L78 C105 Y139 S146 C147 M152 D153 V154	L78-E150 HydrophobicContact CD2-CG 4.34Å; C105-E150 HydrophobicContact CB-CG 3.82Å; C105-E150 WeakPolarHBondContact CB-OE1 3.18Å; Y139-E150 HydrophobicContact CD1-CB 4.42Å; Y139-E150 HydrophobicContact CD2-CB 4.28Å; Y139-E150 HydrophobicContact CE1-CB 3.95Å; Y139-E150 HydrophobicContact CE2-CB 3.83Å; Y139-E150 HydrophobicContact CE2-CG 3.84Å; Y139-E150 WeakPolarHBondContact OH-CA 3.34Å; S146-E150 WeakPolarHBondContact CA-OE2 3.47Å; S146-E150 WeakPolarHBondContact CB-OE2 3.36Å; C147-E150 PolarHBondContact O-N 3.02Å; C147-E150 PolarHBondContact SG-N 3.34Å; C147-E150 VanDerWaalsContact SG-N 3.39Å; E150-M152 VanDerWaalsContact C-N 3.31Å; E150-M152 PolarHBondContact O-N 3.18Å; E150-D153 WeakPolarHBondContact O-CB 3.4Å; E150-D153 PolarHBondContact O-N 3.33Å; E150-D153 VanDerWaalsContact O-N 3.16Å; E150-V154 WeakPolarHBondContact O-CG2 3.28Å; E150-V154 PolarHBondContact O-N 2.97Å
151	M	98.7	Very high	98.4	Very high	80 Å²	80	70.1 Å²	70.1	39%	0.394	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-35	178.1	-62.9	-58.7	91.6	0	0	112.6	L78 C147 Q148 D153 V154 K155	L78-M151 HydrophobicContact CD1-CE 4.09Å; C147-M151 WeakPolarHBondContact O-CG 3.37Å; C147-M151 PolarHBondContact O-N 3.31Å; C147-M151 VanDerWaalsContact O-N 3.1Å; Q148-M151 PolarHBondContact O-N 2.92Å; M151-D153 VanDerWaalsContact C-N 3.35Å; M151-V154 HydrophobicContact CE-CG2 4.33Å; M151-V154 PolarHBondContact O-N 3.04Å; M151-K155 WeakPolarHBondContact O-CB 3.27Å; M151-K155 PolarHBondContact O-N 3.45Å
152	M	98.8	Very high	98.4	Very high	86 Å²	86	69.8 Å²	69.8	42%	0.424	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-39.3	173.2	-72.9	-64.6	-65.9	0	0	111.8	Q148 Q149 E150 K155 Q156	Q148-M152 WeakPolarHBondContact O-CG 3.48Å; Q148-M152 PolarHBondContact O-N 3Å; Q149-M152 PolarHBondContact O-N 2.84Å; E150-M152 VanDerWaalsContact C-N 3.31Å; E150-M152 PolarHBondContact O-N 3.18Å; M152-K155 PolarHBondContact O-N 3.3Å; M152-Q156 VanDerWaalsContact O-CG 3.31Å; M152-Q156 WeakPolarHBondContact O-CG 3.29Å; M152-Q156 PolarHBondContact O-N 3.13Å
153	D	98.8	Very high	98.3	Very high	9 Å²	9	72.3 Å²	72.3	5%	0.048	37%	0.368	C	S	.	.	H	α-helix	trans	-67.2	-42.5	176.7	-69.4	-37.7	0	0	0	112	L103 K137 Y139 Q149 E150 M151 K155 Q156 F157	L103-D153 HydrophobicContact CD2-CB 4.4Å; K137-D153 HydrophobicContact CD-CB 4.2Å; K137-D153 WeakPolarHBondContact CD-OD2 3.21Å; K137-D153 IonicContact NZ-OD1 3.65Å; K137-D153 PolarHBondContact NZ-OD1 3.04Å; K137-D153 IonicContact NZ-OD2 3.62Å; K137-D153 PolarHBondContact NZ-OD2 3.15Å; Y139-D153 WeakPolarHBondContact CE1-OD2 3.4Å; Y139-D153 PolarHBondContact OH-OD2 3.21Å; Q149-D153 VanDerWaalsContact O-CG 3.31Å; Q149-D153 PolarHBondContact O-N 2.97Å; E150-D153 WeakPolarHBondContact O-CB 3.4Å; E150-D153 PolarHBondContact O-N 3.33Å; E150-D153 VanDerWaalsContact O-N 3.16Å; M151-D153 VanDerWaalsContact C-N 3.35Å; D153-K155 VanDerWaalsContact C-N 3.35Å; D153-Q156 PolarHBondContact O-N 3.1Å; D153-F157 WeakPolarHBondContact O-CB 3.35Å; D153-F157 PolarHBondContact O-N 2.72Å
154	V	98.8	Very high	98.1	Very high	20 Å²	20	72.4 Å²	72.4	12%	0.121	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-45.4	173.1	170.5	0	0	0	0	110.7	T76 L78 L103 E150 M151 Q156 F157 I158	T76-V154 HydrophobicContact CG2-CG1 4.33Å; L78-V154 HydrophobicContact CD1-CG2 4.49Å; L78-V154 HydrophobicContact CD2-CG2 3.9Å; L103-V154 HydrophobicContact CD2-CG2 4.05Å; E150-V154 WeakPolarHBondContact O-CG2 3.28Å; E150-V154 PolarHBondContact O-N 2.97Å; M151-V154 HydrophobicContact CE-CG2 4.33Å; M151-V154 PolarHBondContact O-N 3.04Å; V154-Q156 PolarHBondContact O-N 3.01Å; V154-F157 WeakPolarHBondContact O-CB 3.5Å; V154-F157 PolarHBondContact O-N 3.49Å; V154-I158 HydrophobicContact CG1-CD1 3.81Å; V154-I158 HydrophobicContact CG1-CG1 4.47Å; V154-I158 WeakPolarHBondContact O-CG1 3.3Å; V154-I158 PolarHBondContact O-N 2.94Å
155	K	98.7	Very high	97.7	Very high	109 Å²	109	76.3 Å²	76.3	47%	0.474	40%	0.399	S	S	.	.	H	α-helix	trans	-56.7	-51.2	175.6	172.3	170.8	172.9	46.8	0	111.6	M151 M152 D153 F157 I158 D159	M151-K155 WeakPolarHBondContact O-CB 3.27Å; M151-K155 PolarHBondContact O-N 3.45Å; M152-K155 PolarHBondContact O-N 3.3Å; D153-K155 VanDerWaalsContact C-N 3.35Å; K155-F157 VanDerWaalsContact C-N 3.27Å; K155-F157 PolarHBondContact O-N 3.48Å; K155-I158 PolarHBondContact O-N 3.38Å; K155-D159 WeakPolarHBondContact CE-OD2 3.28Å; K155-D159 WeakPolarHBondContact CG-OD2 3.31Å; K155-D159 IonicContact NZ-OD1 3.38Å; K155-D159 PolarHBondContact NZ-OD1 3.32Å; K155-D159 IonicContact NZ-OD2 2.74Å; K155-D159 PolarHBondContact NZ-OD2 3.05Å; K155-D159 WeakPolarHBondContact O-CB 3.36Å; K155-D159 VanDerWaalsContact O-CG 3.24Å; K155-D159 PolarHBondContact O-N 3Å
156	Q	98.7	Very high	96.6	Very high	109 Å²	109	84.1 Å²	84.1	51%	0.509	44%	0.435	S	S	.	.	H	α-helix	trans	-61.3	-37.8	180	-72.2	172.6	18.7	0	0	112.2	M152 D153 V154 K160	M152-Q156 VanDerWaalsContact O-CG 3.31Å; M152-Q156 WeakPolarHBondContact O-CG 3.29Å; M152-Q156 PolarHBondContact O-N 3.13Å; D153-Q156 PolarHBondContact O-N 3.1Å; V154-Q156 PolarHBondContact O-N 3.01Å; Q156-K160 VanDerWaalsContact O-CB 3.3Å; Q156-K160 WeakPolarHBondContact O-CB 3.49Å; Q156-K160 PolarHBondContact O-N 3.09Å
157	F	98.8	Very high	96.5	Very high	26 Å²	26	85.2 Å²	85.2	11%	0.114	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-46.8	176.3	-179.2	-97.8	0	0	0	111.9	I50 T76 L103 D153 V154 K155 K160 L161	I50-F157 HydrophobicContact CD1-CE1 4.46Å; I50-F157 HydrophobicContact CG2-CE1 4.41Å; T76-F157 HydrophobicContact CG2-CD1 3.49Å; T76-F157 VanDerWaalsContact CG2-CD1 3.49Å; T76-F157 HydrophobicContact CG2-CE1 3.65Å; T76-F157 HydrophobicContact CG2-CG 4.46Å; L103-F157 HydrophobicContact CB-CB 4.47Å; L103-F157 HydrophobicContact CB-CD1 4.23Å; L103-F157 HydrophobicContact CB-CD2 3.65Å; L103-F157 HydrophobicContact CB-CE1 4.32Å; L103-F157 HydrophobicContact CB-CE2 3.76Å; L103-F157 HydrophobicContact CB-CG 3.87Å; L103-F157 HydrophobicContact CB-CZ 4.08Å; L103-F157 HydrophobicContact CD2-CB 3.82Å; L103-F157 HydrophobicContact CD2-CD2 4.49Å; L103-F157 HydrophobicContact CD2-CG 4.12Å; D153-F157 WeakPolarHBondContact O-CB 3.35Å; D153-F157 PolarHBondContact O-N 2.72Å; V154-F157 WeakPolarHBondContact O-CB 3.5Å; V154-F157 PolarHBondContact O-N 3.49Å; K155-F157 VanDerWaalsContact C-N 3.27Å; K155-F157 PolarHBondContact O-N 3.48Å; F157-K160 PolarHBondContact O-N 2.91Å; F157-L161 HydrophobicContact CD1-CD1 3.96Å; F157-L161 HydrophobicContact CD2-CD1 4.25Å; F157-L161 HydrophobicContact CE1-CD1 3.42Å; F157-L161 VanDerWaalsContact CE1-CD1 3.42Å; F157-L161 HydrophobicContact CE2-CD1 3.76Å; F157-L161 HydrophobicContact CG-CD1 4.36Å; F157-L161 HydrophobicContact CZ-CD1 3.32Å; F157-L161 WeakPolarHBondContact O-CG 3.46Å; F157-L161 PolarHBondContact O-N 3.46Å; F157-L161 VanDerWaalsContact O-N 3.13Å
158	I	98.6	Very high	96.4	Very high	66 Å²	66	87.6 Å²	87.6	34%	0.338	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-49.5	176.7	-66.8	169.9	0	0	0	110.6	I50 V154 K155 K160 L161 L162	I50-I158 HydrophobicContact CD1-CB 4.42Å; I50-I158 HydrophobicContact CD1-CG1 3.98Å; V154-I158 HydrophobicContact CG1-CD1 3.81Å; V154-I158 HydrophobicContact CG1-CG1 4.47Å; V154-I158 WeakPolarHBondContact O-CG1 3.3Å; V154-I158 PolarHBondContact O-N 2.94Å; K155-I158 PolarHBondContact O-N 3.38Å; I158-K160 PolarHBondContact O-N 3.29Å; I158-L161 PolarHBondContact O-N 2.87Å; I158-L161 VanDerWaalsContact O-N 3.14Å; I158-L162 HydrophobicContact CG2-CD1 4.27Å; I158-L162 PolarHBondContact O-N 3.15Å
159	D	98.3	Very high	96.3	Very high	86 Å²	86	83.3 Å²	83.3	46%	0.46	43%	0.426	S	S	.	.	H	α-helix	trans	-57.5	-37.6	-179	-71.3	-15.9	0	0	0	111.4	K155	K155-D159 WeakPolarHBondContact CE-OD2 3.28Å; K155-D159 WeakPolarHBondContact CG-OD2 3.31Å; K155-D159 IonicContact NZ-OD1 3.38Å; K155-D159 PolarHBondContact NZ-OD1 3.32Å; K155-D159 IonicContact NZ-OD2 2.74Å; K155-D159 PolarHBondContact NZ-OD2 3.05Å; K155-D159 WeakPolarHBondContact O-CB 3.36Å; K155-D159 VanDerWaalsContact O-CG 3.24Å; K155-D159 PolarHBondContact O-N 3Å
160	K	98.1	Very high	96.1	Very high	174 Å²	174	81.6 Å²	81.6	76%	0.757	42%	0.421	S	S	*	.	H	α-helix	trans	-70	-42.2	177.5	-179.4	-178.2	175.7	-174.1	0	113	Q156 F157 I158	Q156-K160 VanDerWaalsContact O-CB 3.3Å; Q156-K160 WeakPolarHBondContact O-CB 3.49Å; Q156-K160 PolarHBondContact O-N 3.09Å; F157-K160 PolarHBondContact O-N 2.91Å; I158-K160 PolarHBondContact O-N 3.29Å
161	L	98	Very high	96	Very high	40 Å²	40	86.8 Å²	86.8	21%	0.209	45%	0.447	C	S	.	.	H	α-helix	trans	-85.7	-27.7	-174.1	-67.6	-177.8	0	0	0	113.3	I50 F157 I158 P163	I50-L161 HydrophobicContact CD1-CB 4.2Å; I50-L161 HydrophobicContact CD1-CD1 4.26Å; F157-L161 HydrophobicContact CD1-CD1 3.96Å; F157-L161 HydrophobicContact CD2-CD1 4.25Å; F157-L161 HydrophobicContact CE1-CD1 3.42Å; F157-L161 VanDerWaalsContact CE1-CD1 3.42Å; F157-L161 HydrophobicContact CE2-CD1 3.76Å; F157-L161 HydrophobicContact CG-CD1 4.36Å; F157-L161 HydrophobicContact CZ-CD1 3.32Å; F157-L161 WeakPolarHBondContact O-CG 3.46Å; F157-L161 PolarHBondContact O-N 3.46Å; F157-L161 VanDerWaalsContact O-N 3.13Å; I158-L161 PolarHBondContact O-N 2.87Å; I158-L161 VanDerWaalsContact O-N 3.14Å; L161-P163 VanDerWaalsContact O-CD 3.31Å; L161-P163 WeakPolarHBondContact O-CD 3.44Å
162	L	97.9	Very high	95.8	Very high	42 Å²	42	87.2 Å²	87.2	22%	0.22	45%	0.45	C	S	.	.	S	Bend	trans	-120.7	63.7	-177.7	-57	-176.6	0	0	0	110.9	R48 I50 A73 I158	R48-L162 HydrophobicContact CB-CD2 4.31Å; R48-L162 VanDerWaalsContact NH1-C 3.35Å; R48-L162 WeakPolarHBondContact O-CD2 3.5Å; I50-L162 HydrophobicContact CD1-CD1 3.7Å; I50-L162 HydrophobicContact CD1-CG 3.81Å; I50-L162 HydrophobicContact CG1-CD1 4.01Å; I50-L162 HydrophobicContact CG1-CG 4.26Å; A73-L162 HydrophobicContact CB-CD2 3.96Å; I158-L162 HydrophobicContact CG2-CD1 4.27Å; I158-L162 PolarHBondContact O-N 3.15Å
163	P	96.6	Very high	95.6	Very high	68 Å²	68	87.3 Å²	87.3	44%	0.442	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-59.1	158.2	175.1	27.8	-35.6	0	0	0	110.9	R48 L161 I165	R48-P163 PolarHBondContact NH1-O 3.29Å; R48-P163 PolarHBondContact NH2-O 2.72Å; L161-P163 VanDerWaalsContact O-CD 3.31Å; L161-P163 WeakPolarHBondContact O-CD 3.44Å; P163-I165 PolarHBondContact O-N 3.13Å
164	P	94.3	Very high	95.3	Very high	121 Å²	121	93.3 Å²	93.3	79%	0.786	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-51.3	141.2	171.1	-25.4	35.1	0	0	0	111.2
165	I	88.7	Confident	95.1	Very high	124 Å²	124	99.4 Å²	99.4	64%	0.636	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-92.3	126.5	170.6	-54.6	176.3	0	0	0	105.6	P163	P163-I165 PolarHBondContact O-N 3.13Å
166	D	74.1	Confident	94.7	Very high	228 Å²	228	98.5 Å²	98.5	100%	1.219	52%	0.517	S	S	*	.			trans	-67.9	0	173.9	-65	-36.4	0	0	0	112.2

Retrieved 166 of 166 residues in 138.9 ms (Link to these results)

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