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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 A0A060W8Z2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 229 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	57.5	Low	243 Å²	243	119.8 Å²	119.8	100%	1.197	72%	0.724	S	S	*	*				0	106.6	0	-70.6	-157.8	-86.9	0	0	107.6	G3	M1-G3 PolarHBondContact O-N 3.17Å; M1-G3 VanDerWaalsContact O-N 3.14Å
2	C	34.9	Very low	60.8	Low	139 Å²	139	110.8 Å²	110.8	94%	0.939	67%	0.671	S	S	*	*			trans	-73.2	101.8	179.4	-65.2	0	0	0	0	108.3	N4	C2-N4 PolarHBondContact O-N 3.14Å
3	G	34.3	Very low	63.7	Low	74 Å²	74	108.7 Å²	108.7	76%	0.763	65%	0.653	S	S	*	*			trans	-63.5	113.9	170.1	0	0	0	0	0	108.5	M1 S5	M1-G3 PolarHBondContact O-N 3.17Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-S5 VanDerWaalsContact C-N 3.25Å; G3-S5 PolarHBondContact O-N 3.09Å
4	N	36.7	Very low	66.2	Low	151 Å²	151	101.7 Å²	101.7	81%	0.807	61%	0.611	S	S	*	*			trans	-64.2	89.3	171.9	-126.2	11.3	0	0	0	107.5	C2 M6	C2-N4 PolarHBondContact O-N 3.14Å; N4-M6 PolarHBondContact O-N 2.93Å
5	S	42.1	Very low	68.2	Low	111 Å²	111	100.5 Å²	100.5	78%	0.776	61%	0.607	S	S	*	*			trans	-69.4	91.2	163.3	-165.2	0	0	0	0	105.2	G3 S7	G3-S5 VanDerWaalsContact C-N 3.25Å; G3-S5 PolarHBondContact O-N 3.09Å; S5-S7 PolarHBondContact O-N 3.43Å
6	M	47.5	Very low	70	Confident	152 Å²	152	95.6 Å²	95.6	75%	0.749	58%	0.58	S	S	*	*			trans	-61.2	97.7	169.2	-76.4	-162	-76.1	0	0	106.1	N4 V8	N4-M6 PolarHBondContact O-N 2.93Å; M6-V8 PolarHBondContact O-N 2.97Å
7	S	64.7	Low	71.5	Confident	101 Å²	101	94.2 Å²	94.2	71%	0.706	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-55.7	122.9	178.4	54.7	0	0	0	0	107.7	S5	S5-S7 PolarHBondContact O-N 3.43Å
8	V	71.3	Confident	72.7	Confident	71 Å²	71	99.8 Å²	99.8	43%	0.43	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-50.3	128.9	172.3	-179.2	0	0	0	0	107.8	M6 H55 P57	M6-V8 PolarHBondContact O-N 2.97Å; V8-H55 HydrophobicContact CG1-CB 4.05Å; V8-H55 WeakPolarHBondContact CG1-O 3.15Å; V8-P57 HydrophobicContact CG2-CB 3.97Å
9	P	82.4	Confident	73.9	Confident	81 Å²	81	104.4 Å²	104.4	53%	0.526	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-57.8	150.2	-179.4	18.5	-27.2	0	0	0	110.7	H55	P9-H55 HydrophobicContact CG-CB 3.93Å
10	L	90.8	Very high	75.2	Confident	155 Å²	155	100.8 Å²	100.8	81%	0.812	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.3	177	-68.6	175	0	0	0	110.2	H55	L10-H55 PolarHBondContact O-CD2 3.29Å; L10-H55 PolarHBondContact O-NE2 3.12Å
11	P	94.8	Very high	76.3	Confident	40 Å²	40	97.6 Å²	97.6	26%	0.26	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-53.4	146.3	179	-26.8	34.9	0	0	0	113.2	I13 I52 P54	P11-I13 HydrophobicContact CB-CG1 4.27Å; P11-I13 PolarHBondContact O-N 3.38Å; P11-I52 HydrophobicContact CB-CG2 3.74Å; P11-I52 HydrophobicContact CG-CG2 4.14Å; P11-P54 HydrophobicContact CB-CB 4.38Å; P11-P54 HydrophobicContact CG-CB 4.2Å
12	A	97.3	Very high	79.4	Confident	11 Å²	11	86 Å²	86	9%	0.091	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.5	163	0	0	0	0	0	108.7	A38 C53	A12-A38 HydrophobicContact CB-CB 3.84Å; A12-C53 HydrophobicContact CB-CB 4.3Å; A12-C53 PolarHBondContact N-O 3.03Å; A12-C53 PolarHBondContact O-N 3.45Å
13	I	98.1	Very high	82.4	Confident	84 Å²	84	79.4 Å²	79.4	43%	0.431	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.3	-173.7	-63.1	174	0	0	0	110.2	P11 P15 K50 Y51	P11-I13 HydrophobicContact CB-CG1 4.27Å; P11-I13 PolarHBondContact O-N 3.38Å; I13-P15 WeakPolarHBondContact O-CD 3.16Å; I13-K50 HydrophobicContact CG2-CG 4.11Å; I13-Y51 CarbonylContact C-O 3.45Å; I13-Y51 WeakPolarHBondContact CA-O 3.43Å
14	V	98.1	Very high	85.5	Confident	11 Å²	11	76 Å²	76	7%	0.067	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	107.8	161.2	-171.8	0	0	0	0	107.3	A38 F41 A42 R45 Y51	V14-A38 HydrophobicContact CG2-CB 4.04Å; V14-A38 WeakPolarHBondContact CG2-O 3.42Å; V14-F41 HydrophobicContact CG2-CB 4.47Å; V14-A42 HydrophobicContact CG1-CB 4.28Å; V14-A42 HydrophobicContact CG2-CB 4.31Å; V14-R45 HydrophobicContact CG1-CB 4.5Å; V14-Y51 HydrophobicContact CB-CD2 4.11Å; V14-Y51 HydrophobicContact CB-CG 4.41Å; V14-Y51 HydrophobicContact CG1-CD2 4.37Å; V14-Y51 PolarHBondContact N-O 2.94Å; V14-Y51 PolarHBondContact O-N 2.81Å
15	P	97.1	Very high	88.5	Confident	84 Å²	84	68.8 Å²	68.8	55%	0.545	39%	0.39	S	S	.	.			trans	-67.7	146.6	179.4	28.8	-34.2	0	0	0	110.4	I13	I13-P15 WeakPolarHBondContact O-CD 3.16Å
16	A	96.8	Very high	91.2	Very high	21 Å²	21	63.5 Å²	63.5	17%	0.174	35%	0.354	C	S	.	.			trans	-61.1	144.1	166.5	0	0	0	0	0	109.6	R18 A20 V49	A16-R18 CarbonylContact C-O 3.59Å; A16-R18 WeakPolarHBondContact CB-O 3.41Å; A16-R18 PolarHBondContact O-N 3.18Å; A16-A20 HydrophobicContact CB-CB 3.86Å; A16-V49 WeakPolarHBondContact CA-O 3.5Å
17	A	94.8	Very high	93.6	Very high	72 Å²	72	56.3 Å²	56.3	60%	0.595	32%	0.318	S	S	*	.	S	Bend	trans	-72.9	-19	176.7	0	0	0	0	0	112.6	P47	A17-P47 HydrophobicContact CB-CB 4.36Å; A17-P47 PolarHBondContact N-O 3.19Å
18	R	94.4	Very high	95.3	Very high	195 Å²	195	51.5 Å²	51.5	74%	0.736	29%	0.285	S	S	*	.	S	Bend	trans	-123.6	-178.2	172.9	-59.4	-178	-178.5	178.4	0.4	109.2	A16 A20 P47	A16-R18 CarbonylContact C-O 3.59Å; A16-R18 WeakPolarHBondContact CB-O 3.41Å; A16-R18 PolarHBondContact O-N 3.18Å; R18-A20 PolarHBondContact O-N 2.78Å; R18-A20 VanDerWaalsContact O-N 3.09Å; R18-P47 PolarHBondContact N-O 2.84Å
19	K	95.7	Very high	96.5	Very high	187 Å²	187	48.3 Å²	48.3	81%	0.813	27%	0.266	S	S	*	.	S	Bend	trans	-52.7	121.3	170.3	-175.2	178.2	179.8	-178.2	0	109.2	T21	K19-T21 PolarHBondContact O-N 2.85Å
20	A	98.2	Very high	97.3	Very high	33 Å²	33	46.6 Å²	46.6	27%	0.273	25%	0.252	S	S	.	.			trans	-65	128.2	-179.9	0	0	0	0	0	110.1	A16 R18 H48 K50 I108	A16-A20 HydrophobicContact CB-CB 3.86Å; R18-A20 PolarHBondContact O-N 2.78Å; R18-A20 VanDerWaalsContact O-N 3.09Å; A20-H48 WeakPolarHBondContact CA-O 3.33Å; A20-K50 HydrophobicContact CB-CB 4.04Å; A20-I108 HydrophobicContact CB-CD1 4.03Å
21	T	98.6	Very high	97.5	Very high	33 Å²	33	41.1 Å²	41.1	20%	0.202	23%	0.233	C	C	.	.	S	Bend	trans	-116.4	-0.4	173.6	65.8	0	0	0	0	112.1	K19 H48 R112 I229	K19-T21 PolarHBondContact O-N 2.85Å; T21-H48 PolarHBondContact N-O 3.24Å; T21-H48 PolarHBondContact OG1-CD2 3.42Å; T21-R112 PolarHBondContact O-NE 3.34Å; T21-R112 PolarHBondContact OG1-NH2 3.21Å; T21-R112 VanDerWaalsContact OG1-NH2 3.11Å; T21-I229 HydrophobicContact CG2-CD1 4.14Å; T21-I229 HydrophobicContact CG2-CG1 3.87Å
22	A	98.8	Very high	97.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	159.7	179.7	0	0	0	0	0	109.8	H48 V49 K50 R112 L226	A22-H48 PolarHBondContact N-O 2.99Å; A22-V49 HydrophobicContact CB-CG2 3.83Å; A22-V49 WeakPolarHBondContact O-CA 3.3Å; A22-K50 PolarHBondContact O-N 2.83Å; A22-R112 CarbonylContact C-O 3.57Å; A22-R112 WeakPolarHBondContact CA-O 3.47Å; A22-R112 HydrophobicContact CB-CB 4.25Å; A22-R112 WeakPolarHBondContact CB-O 3.4Å; A22-L226 HydrophobicContact CB-CB 3.95Å; A22-L226 HydrophobicContact CB-CD1 3.85Å; A22-L226 HydrophobicContact CB-CD2 4.1Å; A22-L226 HydrophobicContact CB-CG 4.18Å
23	A	98.9	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.8	175.9	0	0	0	0	0	112.2	K50 I52 I108 R112 I113 V114	A23-K50 CarbonylContact C-O 3.48Å; A23-K50 WeakPolarHBondContact CA-O 3.12Å; A23-I52 HydrophobicContact CB-CD1 4.35Å; A23-I108 HydrophobicContact CB-CD1 4.04Å; A23-I108 HydrophobicContact CB-CG2 4.34Å; A23-R112 PolarHBondContact N-O 2.94Å; A23-I113 HydrophobicContact CB-CG1 4.33Å; A23-I113 VanDerWaalsContact O-CA 3.3Å; A23-I113 WeakPolarHBondContact O-CA 3.28Å; A23-V114 PolarHBondContact O-N 2.85Å
24	V	98.9	Very high	97.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.8	163.6	174.4	0	0	0	0	106.9	F26 F41 V49 K50 Y51 I52 V114 I222 L226	V24-F26 HydrophobicContact CG1-CB 4.36Å; V24-F41 HydrophobicContact CG1-CE1 4.46Å; V24-F41 HydrophobicContact CG1-CZ 4.33Å; V24-V49 HydrophobicContact CG2-CG1 3.82Å; V24-K50 PolarHBondContact N-O 3.13Å; V24-Y51 HydrophobicContact CB-CD1 3.65Å; V24-Y51 HydrophobicContact CB-CE1 4.1Å; V24-Y51 HydrophobicContact CB-CG 4.37Å; V24-Y51 HydrophobicContact CG1-CD1 4.08Å; V24-Y51 HydrophobicContact CG2-CD1 3.93Å; V24-Y51 HydrophobicContact CG2-CE1 3.83Å; V24-Y51 CarbonylContact O-C 3.39Å; V24-Y51 WeakPolarHBondContact O-CA 3.46Å; V24-I52 PolarHBondContact O-N 3.41Å; V24-V114 VanDerWaalsContact CA-O 3.32Å; V24-V114 WeakPolarHBondContact CA-O 3.44Å; V24-V114 HydrophobicContact CG2-CB 4.25Å; V24-I222 HydrophobicContact CG2-CD1 3.93Å; V24-I222 HydrophobicContact CG2-CG1 4.2Å; V24-I222 HydrophobicContact CG2-CG2 4.22Å; V24-L226 HydrophobicContact CG2-CD1 4.32Å
25	I	98.9	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.8	168.8	-63	168.9	0	0	0	106.6	L27 I52 P54 L99 I100 I113 V114 L115 G116	I25-L27 HydrophobicContact CG2-CD2 4.1Å; I25-I52 CarbonylContact C-O 3.6Å; I25-I52 WeakPolarHBondContact CA-O 3.43Å; I25-I52 HydrophobicContact CG1-CB 4.31Å; I25-I52 HydrophobicContact CG1-CD1 4.08Å; I25-P54 HydrophobicContact CG2-CG 4.48Å; I25-L99 HydrophobicContact CD1-CD2 4.35Å; I25-L99 HydrophobicContact CD1-CG 4.09Å; I25-L99 HydrophobicContact CG2-CD2 3.79Å; I25-I100 HydrophobicContact CD1-CG1 3.75Å; I25-I113 HydrophobicContact CD1-CG2 3.92Å; I25-I113 HydrophobicContact CG1-CG2 4.21Å; I25-V114 PolarHBondContact N-O 3.36Å; I25-L115 HydrophobicContact CB-CD1 3.9Å; I25-L115 HydrophobicContact CG2-CD1 3.81Å; I25-L115 CarbonylContact O-C 3.56Å; I25-G116 PolarHBondContact O-N 3.32Å
26	F	98.9	Very high	97.2	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.4	-174.5	-164.9	-84.3	0	0	0	112.7	V24 W37 F41 I52 C53 P54 G116 G117 F118 V140 L142	V24-F26 HydrophobicContact CG1-CB 4.36Å; F26-W37 HydrophobicContact CD1-CB 3.97Å; F26-W37 AromaticContact CD1-CD2 3.82Å; F26-W37 HydrophobicContact CD1-CD2 3.82Å; F26-W37 HydrophobicContact CD1-CE3 4.03Å; F26-W37 AromaticContact CD1-CG 3.77Å; F26-W37 HydrophobicContact CD1-CG 3.77Å; F26-W37 HydrophobicContact CE1-CB 4.28Å; F26-W37 AromaticContact CE1-CD2 3.21Å; F26-W37 HydrophobicContact CE1-CD2 3.21Å; F26-W37 AromaticContact CE1-CE2 3.62Å; F26-W37 AromaticContact CE1-CE3 3.35Å; F26-W37 HydrophobicContact CE1-CE3 3.35Å; F26-W37 AromaticContact CE1-CG 3.62Å; F26-W37 HydrophobicContact CE1-CG 3.62Å; F26-W37 HydrophobicContact CE1-CH2 4.19Å; F26-W37 HydrophobicContact CE1-CZ2 4.12Å; F26-W37 AromaticContact CE1-CZ3 3.85Å; F26-W37 HydrophobicContact CE1-CZ3 3.85Å; F26-W37 HydrophobicContact CE2-CE3 4.49Å; F26-W37 AromaticContact CZ-CD2 3.93Å; F26-W37 HydrophobicContact CZ-CD2 3.93Å; F26-W37 AromaticContact CZ-CE3 3.61Å; F26-W37 HydrophobicContact CZ-CE3 3.61Å; F26-W37 HydrophobicContact CZ-CH2 4.01Å; F26-W37 HydrophobicContact CZ-CZ2 4.33Å; F26-W37 AromaticContact CZ-CZ3 3.65Å; F26-W37 HydrophobicContact CZ-CZ3 3.65Å; F26-F41 HydrophobicContact CB-CD2 4.41Å; F26-F41 HydrophobicContact CB-CE2 3.55Å; F26-F41 HydrophobicContact CB-CZ 4.12Å; F26-F41 AromaticContact CD1-CE2 3.9Å; F26-F41 HydrophobicContact CD1-CE2 3.9Å; F26-F41 AromaticContact CD2-CE2 3.51Å; F26-F41 HydrophobicContact CD2-CE2 3.51Å; F26-F41 AromaticContact CD2-CZ 3.38Å; F26-F41 HydrophobicContact CD2-CZ 3.38Å; F26-F41 HydrophobicContact CE2-CE2 4.13Å; F26-F41 AromaticContact CE2-CZ 3.85Å; F26-F41 HydrophobicContact CE2-CZ 3.85Å; F26-F41 AromaticContact CG-CE2 3.36Å; F26-F41 HydrophobicContact CG-CE2 3.36Å; F26-F41 AromaticContact CG-CZ 3.77Å; F26-F41 HydrophobicContact CG-CZ 3.77Å; F26-I52 PolarHBondContact N-O 2.97Å; F26-C53 WeakPolarHBondContact O-CA 3.17Å; F26-P54 WeakPolarHBondContact O-CD 3.12Å; F26-G116 CarbonylContact C-O 3.59Å; F26-G116 WeakPolarHBondContact CA-O 3.28Å; F26-G117 VanDerWaalsContact CZ-CA 3.46Å; F26-F118 HydrophobicContact CE1-CB 4.12Å; F26-F118 HydrophobicContact CZ-CB 4.14Å; F26-V140 HydrophobicContact CE2-CG1 4.5Å; F26-L142 HydrophobicContact CE2-CD1 3.95Å; F26-L142 HydrophobicContact CE2-CG 4.34Å; F26-L142 HydrophobicContact CZ-CD1 3.65Å; F26-L142 HydrophobicContact CZ-CG 4.22Å
27	L	98.9	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.5	-174.1	-48.7	-175.6	0	0	0	110.6	I25 P54 W72 I96 G116 G117 F118 L124 S125	I25-L27 HydrophobicContact CG2-CD2 4.1Å; L27-P54 HydrophobicContact CD2-CG 3.47Å; L27-P54 VanDerWaalsContact CD2-CG 3.47Å; L27-W72 HydrophobicContact CB-CZ2 3.95Å; L27-W72 HydrophobicContact CD2-CH2 3.99Å; L27-W72 HydrophobicContact CD2-CZ2 4Å; L27-W72 HydrophobicContact CG-CZ2 4.49Å; L27-I96 HydrophobicContact CD1-CD1 3.94Å; L27-I96 HydrophobicContact CD1-CG1 3.85Å; L27-I96 HydrophobicContact CD2-CD1 3.63Å; L27-I96 HydrophobicContact CD2-CG1 4.41Å; L27-I96 HydrophobicContact CG-CD1 4.47Å; L27-G116 PolarHBondContact N-O 2.91Å; L27-G117 CarbonylContact O-C 3.56Å; L27-G117 WeakPolarHBondContact O-CA 3.39Å; L27-F118 PolarHBondContact O-N 2.98Å; L27-L124 HydrophobicContact CD1-CB 3.98Å; L27-L124 HydrophobicContact CD1-CD2 3.78Å; L27-L124 HydrophobicContact CD1-CG 3.83Å; L27-S125 VanDerWaalsContact CD1-OG 3.3Å; L27-S125 WeakPolarHBondContact CD1-OG 3.46Å
28	H	98.7	Very high	97.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.212	C	C	.	.			trans	-71.6	166.2	179.3	68.2	79.6	0	0	0	112.5	D32 P54 A56 W72 G121	H28-D32 HydrophobicContact CB-CB 4.14Å; H28-D32 PolarHBondContact CE1-O 3.45Å; H28-D32 PolarHBondContact ND1-O 3.35Å; H28-P54 PolarHBondContact CD2-O 3.12Å; H28-P54 VanDerWaalsContact CD2-O 3.3Å; H28-A56 PolarHBondContact NE2-N 2.91Å; H28-W72 AromaticContact CD2-CZ2 3.91Å; H28-W72 AromaticContact NE2-CZ2 3.93Å; H28-W72 PolarHBondContact O-NE1 2.99Å; H28-G121 WeakPolarHBondContact O-CA 3.39Å; H28-G121 PolarHBondContact O-N 3.19Å
29	G	98.3	Very high	97.6	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	21%	0.211	C	C	.	.			trans	-79.3	174.8	175.4	0	0	0	0	0	113.6	G31 D32 F118	G29-G31 PolarHBondContact O-N 3.45Å; G29-D32 PolarHBondContact O-N 3.44Å; G29-F118 WeakPolarHBondContact CA-O 3.49Å; G29-F118 PolarHBondContact N-O 3.49Å
30	L	97.9	Very high	97.7	Very high	45 Å²	45	30.5 Å²	30.5	24%	0.236	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	133.2	178.3	175.7	65.9	0	0	0	112	D32 V61 M69 S71 I75	L30-D32 PolarHBondContact O-N 3.35Å; L30-V61 HydrophobicContact CD1-CG1 4.18Å; L30-V61 HydrophobicContact CD1-CG2 3.87Å; L30-V61 HydrophobicContact CD2-CG1 4.18Å; L30-M69 HydrophobicContact CD1-CG 3.99Å; L30-M69 HydrophobicContact CD1-SD 3.9Å; L30-M69 HydrophobicContact CD2-SD 4.36Å; L30-M69 HydrophobicContact CG-SD 4.01Å; L30-S71 WeakPolarHBondContact CD1-OG 3.5Å; L30-I75 HydrophobicContact CB-CD1 4.36Å; L30-I75 HydrophobicContact CD2-CD1 4.05Å
31	G	95.1	Very high	97.7	Very high	40 Å²	40	29 Å²	29	41%	0.412	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-10.4	174.5	0	0	0	0	0	115.6	G29 P70	G29-G31 PolarHBondContact O-N 3.45Å; G31-P70 PolarHBondContact N-O 3.29Å
32	D	95.3	Very high	97.7	Very high	62 Å²	62	29.6 Å²	29.6	33%	0.332	18%	0.182	S	C	.	.			trans	-87.4	-175.3	-179.3	-163.3	5.6	0	0	0	112.2	H28 G29 L30 W37 P70	H28-D32 HydrophobicContact CB-CB 4.14Å; H28-D32 PolarHBondContact CE1-O 3.45Å; H28-D32 PolarHBondContact ND1-O 3.35Å; G29-D32 PolarHBondContact O-N 3.44Å; L30-D32 PolarHBondContact O-N 3.35Å; D32-W37 PolarHBondContact OD2-NE1 2.9Å; D32-P70 VanDerWaalsContact O-CB 3.32Å; D32-P70 WeakPolarHBondContact O-CB 3.32Å
33	T	95.9	Very high	97.6	Very high	54 Å²	54	32.9 Å²	32.9	33%	0.331	22%	0.216	S	C	.	.			trans	-131.2	167.2	170.4	76.5	0	0	0	0	110.5	H35	T33-H35 PolarHBondContact O-N 3.22Å; T33-H35 PolarHBondContact OG1-N 3.38Å; T33-H35 PolarHBondContact OG1-ND1 2.79Å
34	G	96.2	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-12.9	174.2	0	0	0	0	0	115.8	A38 C53 H55	G34-A38 WeakPolarHBondContact O-CB 3.45Å; G34-A38 PolarHBondContact O-N 3.05Å; G34-C53 WeakPolarHBondContact O-CB 3.38Å; G34-H55 PolarHBondContact N-CE1 3.35Å; G34-H55 VanDerWaalsContact N-CE1 3.35Å; G34-H55 PolarHBondContact N-ND1 2.97Å; G34-H55 VanDerWaalsContact N-ND1 3.17Å
35	H	97.2	Very high	97.4	Very high	108 Å²	108	40 Å²	40	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-48	-172.5	-68.4	94.9	0	0	0	113.1	T33 W37 A38 E39 H55	T33-H35 PolarHBondContact O-N 3.22Å; T33-H35 PolarHBondContact OG1-N 3.38Å; T33-H35 PolarHBondContact OG1-ND1 2.79Å; H35-W37 VanDerWaalsContact C-N 3.29Å; H35-W37 PolarHBondContact O-N 2.98Å; H35-A38 WeakPolarHBondContact O-CB 3.33Å; H35-A38 PolarHBondContact O-N 2.82Å; H35-A38 VanDerWaalsContact O-N 3.12Å; H35-E39 PolarHBondContact O-N 2.92Å; H35-H55 AromaticContact CE1-CE1 3.45Å; H35-H55 PolarHBondContact CE1-CE1 3.18Å; H35-H55 VanDerWaalsContact CE1-CE1 3.45Å; H35-H55 AromaticContact CE1-NE2 3.7Å; H35-H55 AromaticContact ND1-CE1 3.44Å; H35-H55 PolarHBondContact ND1-CE1 3.48Å
36	G	95.5	Very high	97.2	Very high	38 Å²	38	40.3 Å²	40.3	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-40.2	-178.6	0	0	0	0	0	112.3	E39 A40	G36-E39 PolarHBondContact O-N 3.4Å; G36-A40 PolarHBondContact O-N 2.84Å
37	W	98.2	Very high	97.1	Very high	21 Å²	21	43.4 Å²	43.4	8%	0.08	27%	0.266	C	S	.	.	H	α-helix	trans	-69.3	-37.8	174.9	-72.6	99.5	0	0	0	112.8	F26 D32 H35 E39 A40 F41 F118 L142 A210 M215	F26-W37 HydrophobicContact CD1-CB 3.97Å; F26-W37 AromaticContact CD1-CD2 3.82Å; F26-W37 HydrophobicContact CD1-CD2 3.82Å; F26-W37 HydrophobicContact CD1-CE3 4.03Å; F26-W37 AromaticContact CD1-CG 3.77Å; F26-W37 HydrophobicContact CD1-CG 3.77Å; F26-W37 HydrophobicContact CE1-CB 4.28Å; F26-W37 AromaticContact CE1-CD2 3.21Å; F26-W37 HydrophobicContact CE1-CD2 3.21Å; F26-W37 AromaticContact CE1-CE2 3.62Å; F26-W37 AromaticContact CE1-CE3 3.35Å; F26-W37 HydrophobicContact CE1-CE3 3.35Å; F26-W37 AromaticContact CE1-CG 3.62Å; F26-W37 HydrophobicContact CE1-CG 3.62Å; F26-W37 HydrophobicContact CE1-CH2 4.19Å; F26-W37 HydrophobicContact CE1-CZ2 4.12Å; F26-W37 AromaticContact CE1-CZ3 3.85Å; F26-W37 HydrophobicContact CE1-CZ3 3.85Å; F26-W37 HydrophobicContact CE2-CE3 4.49Å; F26-W37 AromaticContact CZ-CD2 3.93Å; F26-W37 HydrophobicContact CZ-CD2 3.93Å; F26-W37 AromaticContact CZ-CE3 3.61Å; F26-W37 HydrophobicContact CZ-CE3 3.61Å; F26-W37 HydrophobicContact CZ-CH2 4.01Å; F26-W37 HydrophobicContact CZ-CZ2 4.33Å; F26-W37 AromaticContact CZ-CZ3 3.65Å; F26-W37 HydrophobicContact CZ-CZ3 3.65Å; D32-W37 PolarHBondContact OD2-NE1 2.9Å; H35-W37 VanDerWaalsContact C-N 3.29Å; H35-W37 PolarHBondContact O-N 2.98Å; W37-E39 VanDerWaalsContact C-N 3.32Å; W37-E39 PolarHBondContact O-N 3.49Å; W37-A40 PolarHBondContact O-N 2.94Å; W37-F41 HydrophobicContact CE3-CE2 4.36Å; W37-F41 WeakPolarHBondContact O-CD2 3.2Å; W37-F41 PolarHBondContact O-N 3.07Å; W37-F118 HydrophobicContact CH2-CB 3.91Å; W37-F118 AromaticContact CH2-CD2 3.95Å; W37-F118 HydrophobicContact CH2-CD2 3.95Å; W37-F118 HydrophobicContact CH2-CG 4.1Å; W37-F118 HydrophobicContact CZ2-CB 3.29Å; W37-F118 HydrophobicContact CZ2-CD1 4.1Å; W37-F118 AromaticContact CZ2-CD2 3.69Å; W37-F118 HydrophobicContact CZ2-CD2 3.69Å; W37-F118 AromaticContact CZ2-CG 3.43Å; W37-F118 HydrophobicContact CZ2-CG 3.43Å; W37-F118 VanDerWaalsContact CZ2-CG 3.43Å; W37-L142 HydrophobicContact CH2-CD1 3.71Å; W37-L142 HydrophobicContact CZ3-CD1 3.77Å; W37-A210 HydrophobicContact CH2-CB 3.91Å; W37-A210 HydrophobicContact CZ3-CB 4.36Å; W37-M215 HydrophobicContact CZ3-SD 4.35Å
38	A	98.3	Very high	97.1	Very high	11 Å²	11	44.5 Å²	44.5	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-41.4	173.9	0	0	0	0	0	111.7	A12 V14 G34 H35 F41 A42 C53	A12-A38 HydrophobicContact CB-CB 3.84Å; V14-A38 HydrophobicContact CG2-CB 4.04Å; V14-A38 WeakPolarHBondContact CG2-O 3.42Å; G34-A38 WeakPolarHBondContact O-CB 3.45Å; G34-A38 PolarHBondContact O-N 3.05Å; H35-A38 WeakPolarHBondContact O-CB 3.33Å; H35-A38 PolarHBondContact O-N 2.82Å; H35-A38 VanDerWaalsContact O-N 3.12Å; A38-F41 PolarHBondContact O-N 3.12Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.38Å; A38-C53 HydrophobicContact CB-CB 4.38Å
39	E	97.6	Very high	97.1	Very high	151 Å²	151	44.5 Å²	44.5	71%	0.706	27%	0.271	S	S	*	.	H	α-helix	trans	-63.3	-44.5	174	-70.9	-178.7	179	0	0	112	H35 G36 W37 F41 A42 G43	H35-E39 PolarHBondContact O-N 2.92Å; G36-E39 PolarHBondContact O-N 3.4Å; W37-E39 VanDerWaalsContact C-N 3.32Å; W37-E39 PolarHBondContact O-N 3.49Å; E39-F41 VanDerWaalsContact C-N 3.35Å; E39-F41 PolarHBondContact O-N 3.45Å; E39-A42 WeakPolarHBondContact O-CB 3.05Å; E39-A42 PolarHBondContact O-N 3.28Å; E39-G43 PolarHBondContact O-N 3.11Å
40	A	97.8	Very high	97.1	Very high	37 Å²	37	46.2 Å²	46.2	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-44.6	175.8	0	0	0	0	0	111.8	G36 W37 A42 G43 M215	G36-A40 PolarHBondContact O-N 2.84Å; W37-A40 PolarHBondContact O-N 2.94Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 3.11Å; A40-G43 PolarHBondContact O-N 2.96Å; A40-M215 HydrophobicContact CB-CE 3.9Å
41	F	98.4	Very high	97.1	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-32.3	175.8	-80.4	-62.6	0	0	0	113.3	V14 V24 F26 W37 A38 E39 G43 I44 R45 Y51 I218 I222	V14-F41 HydrophobicContact CG2-CB 4.47Å; V24-F41 HydrophobicContact CG1-CE1 4.46Å; V24-F41 HydrophobicContact CG1-CZ 4.33Å; F26-F41 HydrophobicContact CB-CD2 4.41Å; F26-F41 HydrophobicContact CB-CE2 3.55Å; F26-F41 HydrophobicContact CB-CZ 4.12Å; F26-F41 AromaticContact CD1-CE2 3.9Å; F26-F41 HydrophobicContact CD1-CE2 3.9Å; F26-F41 AromaticContact CD2-CE2 3.51Å; F26-F41 HydrophobicContact CD2-CE2 3.51Å; F26-F41 AromaticContact CD2-CZ 3.38Å; F26-F41 HydrophobicContact CD2-CZ 3.38Å; F26-F41 HydrophobicContact CE2-CE2 4.13Å; F26-F41 AromaticContact CE2-CZ 3.85Å; F26-F41 HydrophobicContact CE2-CZ 3.85Å; F26-F41 AromaticContact CG-CE2 3.36Å; F26-F41 HydrophobicContact CG-CE2 3.36Å; F26-F41 AromaticContact CG-CZ 3.77Å; F26-F41 HydrophobicContact CG-CZ 3.77Å; W37-F41 HydrophobicContact CE3-CE2 4.36Å; W37-F41 WeakPolarHBondContact O-CD2 3.2Å; W37-F41 PolarHBondContact O-N 3.07Å; A38-F41 PolarHBondContact O-N 3.12Å; E39-F41 VanDerWaalsContact C-N 3.35Å; E39-F41 PolarHBondContact O-N 3.45Å; F41-G43 PolarHBondContact O-N 3.28Å; F41-I44 HydrophobicContact CD1-CD1 3.88Å; F41-I44 HydrophobicContact CD1-CG1 4.08Å; F41-I44 HydrophobicContact CE1-CD1 4.1Å; F41-I44 CarbonylContact O-C 3.56Å; F41-I44 PolarHBondContact O-N 3.07Å; F41-R45 WeakPolarHBondContact O-CA 3.47Å; F41-R45 WeakPolarHBondContact O-CB 3.46Å; F41-R45 PolarHBondContact O-N 3.39Å; F41-Y51 HydrophobicContact CB-CD1 3.66Å; F41-Y51 HydrophobicContact CB-CE1 4.2Å; F41-Y51 HydrophobicContact CB-CG 3.9Å; F41-Y51 AromaticContact CD1-CD1 3.31Å; F41-Y51 HydrophobicContact CD1-CD1 3.31Å; F41-Y51 AromaticContact CD1-CE1 3.4Å; F41-Y51 HydrophobicContact CD1-CE1 3.4Å; F41-Y51 VanDerWaalsContact CD1-CE1 3.4Å; F41-Y51 HydrophobicContact CD1-CG 4.37Å; F41-Y51 HydrophobicContact CD2-CD1 4.21Å; F41-Y51 HydrophobicContact CE1-CD1 4.01Å; F41-Y51 HydrophobicContact CE1-CE1 4.06Å; F41-Y51 AromaticContact CG-CD1 3.45Å; F41-Y51 HydrophobicContact CG-CD1 3.45Å; F41-Y51 VanDerWaalsContact CG-CD1 3.45Å; F41-Y51 AromaticContact CG-CE1 4Å; F41-Y51 HydrophobicContact CG-CE1 4Å; F41-Y51 HydrophobicContact CG-CG 4.14Å; F41-I218 HydrophobicContact CE1-CG2 3.97Å; F41-I222 HydrophobicContact CE1-CD1 4.07Å
42	A	97.8	Very high	97.3	Very high	45 Å²	45	42.4 Å²	42.4	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-32.9	174.6	0	0	0	0	0	111.8	V14 A38 E39 A40 I44 R45	V14-A42 HydrophobicContact CG1-CB 4.28Å; V14-A42 HydrophobicContact CG2-CB 4.31Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.38Å; E39-A42 WeakPolarHBondContact O-CB 3.05Å; E39-A42 PolarHBondContact O-N 3.28Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 3.11Å; A42-I44 VanDerWaalsContact C-N 3.34Å; A42-I44 PolarHBondContact O-N 3.27Å; A42-R45 WeakPolarHBondContact O-CG 3.49Å
43	G	97.1	Very high	97.5	Very high	69 Å²	69	39.5 Å²	39.5	71%	0.711	23%	0.232	S	C	*	.	H	α-helix	trans	-69.7	-23.2	175.4	0	0	0	0	0	115.1	E39 A40 F41	E39-G43 PolarHBondContact O-N 3.11Å; A40-G43 PolarHBondContact O-N 2.96Å; F41-G43 PolarHBondContact O-N 3.28Å
44	I	97.1	Very high	97.6	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-120.5	11.9	-178.5	63.1	156.7	0	0	0	113.8	F41 A42 M215 I218 K219	F41-I44 HydrophobicContact CD1-CD1 3.88Å; F41-I44 HydrophobicContact CD1-CG1 4.08Å; F41-I44 HydrophobicContact CE1-CD1 4.1Å; F41-I44 CarbonylContact O-C 3.56Å; F41-I44 PolarHBondContact O-N 3.07Å; A42-I44 VanDerWaalsContact C-N 3.34Å; A42-I44 PolarHBondContact O-N 3.27Å; I44-M215 HydrophobicContact CD1-CE 3.63Å; I44-M215 HydrophobicContact CG1-CE 4.02Å; I44-M215 HydrophobicContact CG2-CB 4.29Å; I44-I218 HydrophobicContact CD1-CB 4.42Å; I44-I218 HydrophobicContact CD1-CG2 4.05Å; I44-K219 HydrophobicContact CB-CB 4.07Å; I44-K219 HydrophobicContact CB-CD 4.12Å; I44-K219 HydrophobicContact CB-CG 4.22Å; I44-K219 HydrophobicContact CD1-CB 4.06Å; I44-K219 HydrophobicContact CG2-CB 4.44Å; I44-K219 HydrophobicContact CG2-CD 4.47Å
45	R	95.5	Very high	97.7	Very high	132 Å²	132	38.3 Å²	38.3	50%	0.498	22%	0.224	S	C	.	.			trans	-59.7	144.5	-170.7	69.8	-178.2	-179	169.9	-2.5	112.9	V14 F41 A42 Y51	V14-R45 HydrophobicContact CG1-CB 4.5Å; F41-R45 WeakPolarHBondContact O-CA 3.47Å; F41-R45 WeakPolarHBondContact O-CB 3.46Å; F41-R45 PolarHBondContact O-N 3.39Å; A42-R45 WeakPolarHBondContact O-CG 3.49Å; R45-Y51 WeakPolarHBondContact CA-OH 3.21Å; R45-Y51 HydrophobicContact CB-CD2 4.43Å; R45-Y51 HydrophobicContact CB-CE2 3.75Å
46	T	95.6	Very high	97.7	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.043	20%	0.202	C	C	.	.			trans	-100.6	148.6	169	57.1	0	0	0	0	110.6	H48 V49 Y51 E223	T46-H48 VanDerWaalsContact C-N 3.3Å; T46-H48 PolarHBondContact O-N 2.93Å; T46-V49 PolarHBondContact O-N 2.9Å; T46-V49 WeakPolarHBondContact OG1-CB 3.42Å; T46-V49 WeakPolarHBondContact OG1-CG2 3.22Å; T46-Y51 PolarHBondContact N-OH 2.72Å; T46-Y51 PolarHBondContact OG1-OH 3.14Å; T46-E223 HydrophobicContact CG2-CG 3.59Å
47	P	97	Very high	97.7	Very high	67 Å²	67	33.5 Å²	33.5	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	-168.7	-25.3	35.3	0	0	0	115.9	A17 R18	A17-P47 HydrophobicContact CB-CB 4.36Å; A17-P47 PolarHBondContact N-O 3.19Å; R18-P47 PolarHBondContact N-O 2.84Å
48	H	98.1	Very high	97.7	Very high	23 Å²	23	37.9 Å²	37.9	11%	0.106	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	5.4	-175.3	60.4	-78.4	0	0	0	113.7	A20 T21 A22 T46 L226	A20-H48 WeakPolarHBondContact CA-O 3.33Å; T21-H48 PolarHBondContact N-O 3.24Å; T21-H48 PolarHBondContact OG1-CD2 3.42Å; A22-H48 PolarHBondContact N-O 2.99Å; T46-H48 VanDerWaalsContact C-N 3.3Å; T46-H48 PolarHBondContact O-N 2.93Å; H48-L226 PolarHBondContact NE2-O 3.42Å
49	V	98.7	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.4	-179.4	-177.4	0	0	0	0	110.4	A16 A22 V24 T46 Y51 L226	A16-V49 WeakPolarHBondContact CA-O 3.5Å; A22-V49 HydrophobicContact CB-CG2 3.83Å; A22-V49 WeakPolarHBondContact O-CA 3.3Å; V24-V49 HydrophobicContact CG2-CG1 3.82Å; T46-V49 PolarHBondContact O-N 2.9Å; T46-V49 WeakPolarHBondContact OG1-CB 3.42Å; T46-V49 WeakPolarHBondContact OG1-CG2 3.22Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG1-CD2 4.46Å; V49-Y51 HydrophobicContact CG1-CE1 4.38Å; V49-Y51 HydrophobicContact CG1-CE2 3.99Å; V49-Y51 WeakPolarHBondContact O-CE2 3.48Å; V49-L226 HydrophobicContact CG1-CD1 4.32Å; V49-L226 HydrophobicContact CG2-CB 4.36Å; V49-L226 HydrophobicContact CG2-CD1 4.36Å
50	K	98.6	Very high	97.5	Very high	41 Å²	41	36.5 Å²	36.5	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.3	170.2	175.5	-170.1	172.1	-162.8	0	108.9	I13 A20 A22 A23 V24 I52 E103	I13-K50 HydrophobicContact CG2-CG 4.11Å; A20-K50 HydrophobicContact CB-CB 4.04Å; A22-K50 PolarHBondContact O-N 2.83Å; A23-K50 CarbonylContact C-O 3.48Å; A23-K50 WeakPolarHBondContact CA-O 3.12Å; V24-K50 PolarHBondContact N-O 3.13Å; K50-I52 HydrophobicContact CD-CD1 4.08Å; K50-I52 HydrophobicContact CD-CG1 4.09Å; K50-I52 HydrophobicContact CG-CD1 4.47Å; K50-I52 HydrophobicContact CG-CG1 4.09Å; K50-E103 IonicContact NZ-OE1 3.7Å; K50-E103 PolarHBondContact NZ-OE1 3.35Å; K50-E103 IonicContact NZ-OE2 2.84Å; K50-E103 PolarHBondContact NZ-OE2 2.93Å
51	Y	98.8	Very high	97.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.2	175.9	-54.4	-106.1	0	0	0	109.2	I13 V14 V24 F41 R45 T46 V49 I222	I13-Y51 CarbonylContact C-O 3.45Å; I13-Y51 WeakPolarHBondContact CA-O 3.43Å; V14-Y51 HydrophobicContact CB-CD2 4.11Å; V14-Y51 HydrophobicContact CB-CG 4.41Å; V14-Y51 HydrophobicContact CG1-CD2 4.37Å; V14-Y51 PolarHBondContact N-O 2.94Å; V14-Y51 PolarHBondContact O-N 2.81Å; V24-Y51 HydrophobicContact CB-CD1 3.65Å; V24-Y51 HydrophobicContact CB-CE1 4.1Å; V24-Y51 HydrophobicContact CB-CG 4.37Å; V24-Y51 HydrophobicContact CG1-CD1 4.08Å; V24-Y51 HydrophobicContact CG2-CD1 3.93Å; V24-Y51 HydrophobicContact CG2-CE1 3.83Å; V24-Y51 CarbonylContact O-C 3.39Å; V24-Y51 WeakPolarHBondContact O-CA 3.46Å; F41-Y51 HydrophobicContact CB-CD1 3.66Å; F41-Y51 HydrophobicContact CB-CE1 4.2Å; F41-Y51 HydrophobicContact CB-CG 3.9Å; F41-Y51 AromaticContact CD1-CD1 3.31Å; F41-Y51 HydrophobicContact CD1-CD1 3.31Å; F41-Y51 AromaticContact CD1-CE1 3.4Å; F41-Y51 HydrophobicContact CD1-CE1 3.4Å; F41-Y51 VanDerWaalsContact CD1-CE1 3.4Å; F41-Y51 HydrophobicContact CD1-CG 4.37Å; F41-Y51 HydrophobicContact CD2-CD1 4.21Å; F41-Y51 HydrophobicContact CE1-CD1 4.01Å; F41-Y51 HydrophobicContact CE1-CE1 4.06Å; F41-Y51 AromaticContact CG-CD1 3.45Å; F41-Y51 HydrophobicContact CG-CD1 3.45Å; F41-Y51 VanDerWaalsContact CG-CD1 3.45Å; F41-Y51 AromaticContact CG-CE1 4Å; F41-Y51 HydrophobicContact CG-CE1 4Å; F41-Y51 HydrophobicContact CG-CG 4.14Å; R45-Y51 WeakPolarHBondContact CA-OH 3.21Å; R45-Y51 HydrophobicContact CB-CD2 4.43Å; R45-Y51 HydrophobicContact CB-CE2 3.75Å; T46-Y51 PolarHBondContact N-OH 2.72Å; T46-Y51 PolarHBondContact OG1-OH 3.14Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG1-CD2 4.46Å; V49-Y51 HydrophobicContact CG1-CE1 4.38Å; V49-Y51 HydrophobicContact CG1-CE2 3.99Å; V49-Y51 WeakPolarHBondContact O-CE2 3.48Å; Y51-I222 HydrophobicContact CE1-CD1 4.13Å
52	I	98.8	Very high	97.5	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113	-174.9	-57.3	156.9	0	0	0	107.4	P11 A23 V24 I25 F26 K50 P54 L99 E103	P11-I52 HydrophobicContact CB-CG2 3.74Å; P11-I52 HydrophobicContact CG-CG2 4.14Å; A23-I52 HydrophobicContact CB-CD1 4.35Å; V24-I52 PolarHBondContact O-N 3.41Å; I25-I52 CarbonylContact C-O 3.6Å; I25-I52 WeakPolarHBondContact CA-O 3.43Å; I25-I52 HydrophobicContact CG1-CB 4.31Å; I25-I52 HydrophobicContact CG1-CD1 4.08Å; F26-I52 PolarHBondContact N-O 2.97Å; K50-I52 HydrophobicContact CD-CD1 4.08Å; K50-I52 HydrophobicContact CD-CG1 4.09Å; K50-I52 HydrophobicContact CG-CD1 4.47Å; K50-I52 HydrophobicContact CG-CG1 4.09Å; I52-P54 VanDerWaalsContact O-CD 3.26Å; I52-P54 WeakPolarHBondContact O-CD 2.96Å; I52-L99 HydrophobicContact CG2-CD2 4.39Å; I52-E103 HydrophobicContact CD1-CG 3.64Å; I52-E103 WeakPolarHBondContact CD1-OE2 3.45Å
53	C	98.8	Very high	97.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	86.2	178.7	-57.1	0	0	0	0	108.3	A12 F26 G34 A38	A12-C53 HydrophobicContact CB-CB 4.3Å; A12-C53 PolarHBondContact N-O 3.03Å; A12-C53 PolarHBondContact O-N 3.45Å; F26-C53 WeakPolarHBondContact O-CA 3.17Å; G34-C53 WeakPolarHBondContact O-CB 3.38Å; A38-C53 HydrophobicContact CB-CB 4.38Å
54	P	98.4	Very high	97.5	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.071	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-65	156.5	-179.9	28.9	-35.3	0	0	0	111.5	P11 I25 F26 L27 H28 I52 W72 L99	P11-P54 HydrophobicContact CB-CB 4.38Å; P11-P54 HydrophobicContact CG-CB 4.2Å; I25-P54 HydrophobicContact CG2-CG 4.48Å; F26-P54 WeakPolarHBondContact O-CD 3.12Å; L27-P54 HydrophobicContact CD2-CG 3.47Å; L27-P54 VanDerWaalsContact CD2-CG 3.47Å; H28-P54 PolarHBondContact CD2-O 3.12Å; H28-P54 VanDerWaalsContact CD2-O 3.3Å; I52-P54 VanDerWaalsContact O-CD 3.26Å; I52-P54 WeakPolarHBondContact O-CD 2.96Å; P54-W72 HydrophobicContact CB-CH2 4Å; P54-W72 HydrophobicContact CG-CH2 3.74Å; P54-W72 HydrophobicContact CG-CZ2 4.42Å; P54-L99 HydrophobicContact CB-CD2 4.18Å; P54-L99 HydrophobicContact CG-CD2 3.99Å
55	H	97.8	Very high	97.5	Very high	18 Å²	18	46.4 Å²	46.4	8%	0.083	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-92.5	134.2	173.3	-59.8	-67.5	0	0	0	110.1	V8 P9 L10 G34 H35	V8-H55 HydrophobicContact CG1-CB 4.05Å; V8-H55 WeakPolarHBondContact CG1-O 3.15Å; P9-H55 HydrophobicContact CG-CB 3.93Å; L10-H55 PolarHBondContact O-CD2 3.29Å; L10-H55 PolarHBondContact O-NE2 3.12Å; G34-H55 PolarHBondContact N-CE1 3.35Å; G34-H55 VanDerWaalsContact N-CE1 3.35Å; G34-H55 PolarHBondContact N-ND1 2.97Å; G34-H55 VanDerWaalsContact N-ND1 3.17Å; H35-H55 AromaticContact CE1-CE1 3.45Å; H35-H55 PolarHBondContact CE1-CE1 3.18Å; H35-H55 VanDerWaalsContact CE1-CE1 3.45Å; H35-H55 AromaticContact CE1-NE2 3.7Å; H35-H55 AromaticContact ND1-CE1 3.44Å; H35-H55 PolarHBondContact ND1-CE1 3.48Å
56	A	97.7	Very high	97.5	Very high	5 Å²	5	42 Å²	42	4%	0.041	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-68.7	147.8	169.2	0	0	0	0	0	110.5	H28 P70 W72	H28-A56 PolarHBondContact NE2-N 2.91Å; A56-P70 HydrophobicContact CB-CB 4.23Å; A56-W72 HydrophobicContact CB-CD2 3.78Å; A56-W72 HydrophobicContact CB-CE3 4.06Å; A56-W72 HydrophobicContact CB-CG 4.19Å; A56-W72 HydrophobicContact CB-CH2 4.22Å; A56-W72 HydrophobicContact CB-CZ2 4Å; A56-W72 HydrophobicContact CB-CZ3 4.27Å
57	P	96.6	Very high	97.6	Very high	41 Å²	41	47.5 Å²	47.5	27%	0.266	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-63.5	154.1	170	29.3	-35.9	0	0	0	111.2	V8 K59 P70 S71	V8-P57 HydrophobicContact CG2-CB 3.97Å; P57-K59 HydrophobicContact CG-CD 4.25Å; P57-K59 HydrophobicContact CG-CG 4.33Å; P57-K59 PolarHBondContact O-N 3.41Å; P57-P70 WeakPolarHBondContact O-CA 3.33Å; P57-S71 PolarHBondContact O-N 3.44Å
58	I	96.8	Very high	97.6	Very high	112 Å²	112	48.1 Å²	48.1	57%	0.574	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.5	171.4	-62	173.7	0	0	0	108.4	M69	I58-M69 WeakPolarHBondContact CA-O 3.44Å
59	K	95.3	Very high	97.6	Very high	53 Å²	53	48.3 Å²	48.3	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	151	179.8	-67.4	-178.8	175.2	-179.5	0	110.4	P57 S68 M69 W72	P57-K59 HydrophobicContact CG-CD 4.25Å; P57-K59 HydrophobicContact CG-CG 4.33Å; P57-K59 PolarHBondContact O-N 3.41Å; K59-S68 VanDerWaalsContact O-CA 3.31Å; K59-S68 WeakPolarHBondContact O-CA 3.26Å; K59-M69 PolarHBondContact N-O 3.05Å; K59-M69 PolarHBondContact O-N 3.32Å; K59-M69 VanDerWaalsContact O-O 3.12Å; K59-W72 PolarHBondContact NZ-O 2.88Å
60	P	97.7	Very high	97.6	Very high	81 Å²	81	49.7 Å²	49.7	53%	0.526	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	142	166.5	29	-34	0	0	0	110	G66	P60-G66 WeakPolarHBondContact CB-O 3.44Å
61	V	98.3	Very high	97.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.8	-176.8	-178.7	0	0	0	0	110.1	L30 L63 N64 G66 M67 M69 D74 I75	L30-V61 HydrophobicContact CD1-CG1 4.18Å; L30-V61 HydrophobicContact CD1-CG2 3.87Å; L30-V61 HydrophobicContact CD2-CG1 4.18Å; V61-L63 HydrophobicContact CG1-CB 4.26Å; V61-L63 PolarHBondContact O-N 3.22Å; V61-N64 HydrophobicContact CB-CB 4.39Å; V61-N64 HydrophobicContact CG1-CB 4.43Å; V61-N64 CarbonylContact O-C 3.5Å; V61-N64 PolarHBondContact O-N 3.36Å; V61-N64 VanDerWaalsContact O-N 3.07Å; V61-G66 WeakPolarHBondContact O-CA 3.32Å; V61-G66 PolarHBondContact O-N 3.25Å; V61-M67 PolarHBondContact N-O 3.17Å; V61-M69 HydrophobicContact CG2-CG 3.75Å; V61-M69 HydrophobicContact CG2-SD 4.41Å; V61-D74 VanDerWaalsContact CA-OD1 3.32Å; V61-D74 WeakPolarHBondContact CA-OD1 3.35Å; V61-I75 HydrophobicContact CG1-CB 4.33Å
62	T	97.9	Very high	97.5	Very high	73 Å²	73	48.6 Å²	48.6	45%	0.448	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.2	-44.9	-174.4	-68	0	0	0	0	112	N64 M65 D74 I76	T62-N64 PolarHBondContact O-N 2.89Å; T62-N64 VanDerWaalsContact O-N 3.1Å; T62-M65 PolarHBondContact O-N 3.06Å; T62-D74 WeakPolarHBondContact CB-OD2 3.48Å; T62-D74 PolarHBondContact N-OD1 2.85Å; T62-D74 PolarHBondContact OG1-OD2 3.27Å; T62-I76 HydrophobicContact CG2-CG2 4.27Å
63	L	96.6	Very high	97.5	Very high	60 Å²	60	48.6 Å²	48.6	31%	0.314	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-54.3	-32.6	176.3	-177.9	70.4	0	0	0	112.4	V61 I75 L78	V61-L63 HydrophobicContact CG1-CB 4.26Å; V61-L63 PolarHBondContact O-N 3.22Å; L63-I75 HydrophobicContact CB-CB 4.23Å; L63-I75 HydrophobicContact CB-CG2 4.13Å; L63-I75 WeakPolarHBondContact CB-O 3.32Å; L63-I75 HydrophobicContact CD2-CB 4.41Å; L63-I75 HydrophobicContact CD2-CG2 3.79Å; L63-I75 HydrophobicContact CG-CG2 4.49Å; L63-I75 PolarHBondContact N-O 2.77Å; L63-L78 HydrophobicContact CD2-CD1 3.81Å; L63-L78 HydrophobicContact CD2-CG 3.93Å
64	N	96.9	Very high	97.5	Very high	59 Å²	59	50.3 Å²	50.3	32%	0.316	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-103.5	37.4	-178.9	-69.1	-20.6	0	0	0	112	V61 T62 G66 M67 M69	V61-N64 HydrophobicContact CB-CB 4.39Å; V61-N64 HydrophobicContact CG1-CB 4.43Å; V61-N64 CarbonylContact O-C 3.5Å; V61-N64 PolarHBondContact O-N 3.36Å; V61-N64 VanDerWaalsContact O-N 3.07Å; T62-N64 PolarHBondContact O-N 2.89Å; T62-N64 VanDerWaalsContact O-N 3.1Å; N64-G66 PolarHBondContact O-N 3.49Å; N64-M67 HydrophobicContact CB-CB 4.36Å; N64-M67 VanDerWaalsContact O-CB 3.24Å; N64-M67 WeakPolarHBondContact O-CB 3.44Å; N64-M67 PolarHBondContact O-N 3.34Å; N64-M69 HydrophobicContact CB-CE 3.72Å; N64-M69 VanDerWaalsContact ND2-CE 3.26Å; N64-M69 WeakPolarHBondContact ND2-CE 3.36Å; N64-M69 PolarHBondContact ND2-SD 3.13Å
65	M	96.8	Very high	97.4	Very high	187 Å²	187	50.2 Å²	50.2	92%	0.921	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	33.1	175.8	-54.7	-65.4	179	0	0	113.4	T62 M67	T62-M65 PolarHBondContact O-N 3.06Å; M65-M67 VanDerWaalsContact C-N 3.3Å; M65-M67 PolarHBondContact O-N 3.18Å
66	G	96.9	Very high	97.3	Very high	39 Å²	39	52.2 Å²	52.2	40%	0.402	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	7.7	-179.9	0	0	0	0	0	114.8	P60 V61 N64 S68	P60-G66 WeakPolarHBondContact CB-O 3.44Å; V61-G66 WeakPolarHBondContact O-CA 3.32Å; V61-G66 PolarHBondContact O-N 3.25Å; N64-G66 PolarHBondContact O-N 3.49Å; G66-S68 PolarHBondContact O-N 2.99Å
67	M	96.9	Very high	97	Very high	123 Å²	123	53.1 Å²	53.1	61%	0.606	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	135	176.3	-174.7	179	-65.6	0	0	110.8	V61 N64 M65 M69	V61-M67 PolarHBondContact N-O 3.17Å; N64-M67 HydrophobicContact CB-CB 4.36Å; N64-M67 VanDerWaalsContact O-CB 3.24Å; N64-M67 WeakPolarHBondContact O-CB 3.44Å; N64-M67 PolarHBondContact O-N 3.34Å; M65-M67 VanDerWaalsContact C-N 3.3Å; M65-M67 PolarHBondContact O-N 3.18Å; M67-M69 HydrophobicContact CB-CE 3.84Å; M67-M69 HydrophobicContact CG-CE 3.77Å; M67-M69 HydrophobicContact SD-CE 3.76Å
68	S	97.7	Very high	96.5	Very high	79 Å²	79	53.6 Å²	53.6	55%	0.552	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.6	178.8	-69.4	0	0	0	0	111.6	K59 G66	K59-S68 VanDerWaalsContact O-CA 3.31Å; K59-S68 WeakPolarHBondContact O-CA 3.26Å; G66-S68 PolarHBondContact O-N 2.99Å
69	M	97.6	Very high	96.2	Very high	27 Å²	27	55 Å²	55	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.6	178.8	61.7	-171.7	70.8	0	0	110.7	L30 I58 K59 V61 N64 M67 S71	L30-M69 HydrophobicContact CD1-CG 3.99Å; L30-M69 HydrophobicContact CD1-SD 3.9Å; L30-M69 HydrophobicContact CD2-SD 4.36Å; L30-M69 HydrophobicContact CG-SD 4.01Å; I58-M69 WeakPolarHBondContact CA-O 3.44Å; K59-M69 PolarHBondContact N-O 3.05Å; K59-M69 PolarHBondContact O-N 3.32Å; K59-M69 VanDerWaalsContact O-O 3.12Å; V61-M69 HydrophobicContact CG2-CG 3.75Å; V61-M69 HydrophobicContact CG2-SD 4.41Å; N64-M69 HydrophobicContact CB-CE 3.72Å; N64-M69 VanDerWaalsContact ND2-CE 3.26Å; N64-M69 WeakPolarHBondContact ND2-CE 3.36Å; N64-M69 PolarHBondContact ND2-SD 3.13Å; M67-M69 HydrophobicContact CB-CE 3.84Å; M67-M69 HydrophobicContact CG-CE 3.77Å; M67-M69 HydrophobicContact SD-CE 3.76Å; M69-S71 PolarHBondContact O-N 2.98Å; M69-S71 VanDerWaalsContact O-N 3.13Å
70	P	98	Very high	95.5	Very high	30 Å²	30	55 Å²	55	20%	0.195	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	117.6	173.2	-26.5	35.9	0	0	0	111.3	G31 D32 A56 P57	G31-P70 PolarHBondContact N-O 3.29Å; D32-P70 VanDerWaalsContact O-CB 3.32Å; D32-P70 WeakPolarHBondContact O-CB 3.32Å; A56-P70 HydrophobicContact CB-CB 4.23Å; P57-P70 WeakPolarHBondContact O-CA 3.33Å
71	S	98.3	Very high	95	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	32%	0.321	C	S	.	.			trans	-151	134.9	-179.3	-165.2	0	0	0	0	111.1	L30 P57 M69 F73 Q120	L30-S71 WeakPolarHBondContact CD1-OG 3.5Å; P57-S71 PolarHBondContact O-N 3.44Å; M69-S71 PolarHBondContact O-N 2.98Å; M69-S71 VanDerWaalsContact O-N 3.13Å; S71-F73 PolarHBondContact OG-O 2.99Å; S71-Q120 PolarHBondContact OG-NE2 2.95Å; S71-Q120 PolarHBondContact OG-OE1 3.26Å
72	W	98.5	Very high	94.7	Very high	17 Å²	17	58.9 Å²	58.9	6%	0.064	33%	0.332	C	S	.	.	S	Bend	trans	-70.6	-45.1	-179.8	-62.6	104.5	0	0	0	111.5	L27 H28 P54 A56 K59 A92 I96 L124	L27-W72 HydrophobicContact CB-CZ2 3.95Å; L27-W72 HydrophobicContact CD2-CH2 3.99Å; L27-W72 HydrophobicContact CD2-CZ2 4Å; L27-W72 HydrophobicContact CG-CZ2 4.49Å; H28-W72 AromaticContact CD2-CZ2 3.91Å; H28-W72 AromaticContact NE2-CZ2 3.93Å; H28-W72 PolarHBondContact O-NE1 2.99Å; P54-W72 HydrophobicContact CB-CH2 4Å; P54-W72 HydrophobicContact CG-CH2 3.74Å; P54-W72 HydrophobicContact CG-CZ2 4.42Å; A56-W72 HydrophobicContact CB-CD2 3.78Å; A56-W72 HydrophobicContact CB-CE3 4.06Å; A56-W72 HydrophobicContact CB-CG 4.19Å; A56-W72 HydrophobicContact CB-CH2 4.22Å; A56-W72 HydrophobicContact CB-CZ2 4Å; A56-W72 HydrophobicContact CB-CZ3 4.27Å; K59-W72 PolarHBondContact NZ-O 2.88Å; W72-A92 HydrophobicContact CB-CB 4.43Å; W72-I96 HydrophobicContact CE3-CD1 4.48Å; W72-I96 HydrophobicContact CZ3-CD1 4.05Å; W72-L124 HydrophobicContact CB-CD2 3.74Å; W72-L124 HydrophobicContact CD2-CD2 3.92Å; W72-L124 HydrophobicContact CE3-CD2 3.99Å; W72-L124 HydrophobicContact CG-CD2 3.81Å
73	F	98.5	Very high	94.6	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.018	34%	0.344	C	S	.	.	S	Bend	trans	-143.5	170	178	51.7	-94.2	0	0	0	109.2	S71 I89 Q120 A123 L124 W145	S71-F73 PolarHBondContact OG-O 2.99Å; F73-I89 HydrophobicContact CB-CG1 4.03Å; F73-I89 HydrophobicContact CD1-CG1 3.79Å; F73-I89 HydrophobicContact CD2-CD1 4.09Å; F73-I89 HydrophobicContact CD2-CG1 3.49Å; F73-I89 VanDerWaalsContact CD2-CG1 3.49Å; F73-I89 HydrophobicContact CE1-CG1 4.05Å; F73-I89 HydrophobicContact CE2-CD1 4.11Å; F73-I89 HydrophobicContact CE2-CG1 3.78Å; F73-I89 HydrophobicContact CG-CB 4.49Å; F73-I89 HydrophobicContact CG-CG1 3.5Å; F73-I89 VanDerWaalsContact CG-CG1 3.5Å; F73-I89 HydrophobicContact CZ-CG1 4.04Å; F73-Q120 HydrophobicContact CD1-CG 4.18Å; F73-Q120 HydrophobicContact CD2-CG 4.46Å; F73-Q120 HydrophobicContact CE1-CG 3.53Å; F73-Q120 HydrophobicContact CE2-CG 3.87Å; F73-Q120 HydrophobicContact CZ-CG 3.36Å; F73-Q120 PolarHBondContact O-NE2 3.3Å; F73-A123 HydrophobicContact CZ-CB 4.49Å; F73-L124 HydrophobicContact CE1-CB 4.11Å; F73-W145 HydrophobicContact CE2-CZ2 4.42Å; F73-W145 HydrophobicContact CZ-CZ2 4.37Å
74	D	98.3	Very high	94.6	Very high	36 Å²	36	62 Å²	62	19%	0.193	34%	0.34	C	S	.	.			trans	-72.7	143	177.6	-167.9	16.8	0	0	0	111.4	V61 T62 D85	V61-D74 VanDerWaalsContact CA-OD1 3.32Å; V61-D74 WeakPolarHBondContact CA-OD1 3.35Å; T62-D74 WeakPolarHBondContact CB-OD2 3.48Å; T62-D74 PolarHBondContact N-OD1 2.85Å; T62-D74 PolarHBondContact OG1-OD2 3.27Å; D74-D85 HydrophobicContact CB-CB 3.96Å; D74-D85 PolarHBondContact N-OD2 2.8Å; D74-D85 WeakPolarHBondContact O-CB 3.3Å
75	I	96.6	Very high	94.7	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-110	118.8	171.3	-53.9	-169.1	0	0	0	107.1	L30 V61 L63 L78 Q120 W145	L30-I75 HydrophobicContact CB-CD1 4.36Å; L30-I75 HydrophobicContact CD2-CD1 4.05Å; V61-I75 HydrophobicContact CG1-CB 4.33Å; L63-I75 HydrophobicContact CB-CB 4.23Å; L63-I75 HydrophobicContact CB-CG2 4.13Å; L63-I75 WeakPolarHBondContact CB-O 3.32Å; L63-I75 HydrophobicContact CD2-CB 4.41Å; L63-I75 HydrophobicContact CD2-CG2 3.79Å; L63-I75 HydrophobicContact CG-CG2 4.49Å; L63-I75 PolarHBondContact N-O 2.77Å; I75-L78 HydrophobicContact CG2-CD2 4.1Å; I75-Q120 HydrophobicContact CD1-CB 4.21Å; I75-Q120 HydrophobicContact CD1-CG 4.1Å; I75-Q120 VanDerWaalsContact CG1-NE2 3.25Å; I75-W145 HydrophobicContact CD1-CH2 4.35Å
76	I	96	Very high	94.8	Very high	61 Å²	61	56.6 Å²	56.6	31%	0.313	31%	0.312	S	S	.	.			trans	-93	-40.1	-179.1	-59.2	160.3	0	0	0	110.2	T62 E83	T62-I76 HydrophobicContact CG2-CG2 4.27Å; I76-E83 HydrophobicContact CD1-CB 4.05Å; I76-E83 HydrophobicContact CD1-CG 3.93Å
77	G	91.4	Very high	94.8	Very high	24 Å²	24	58.2 Å²	58.2	25%	0.247	32%	0.322	C	S	.	.			trans	-158.5	165.3	179	0	0	0	0	0	112.7
78	L	86.3	Confident	94.9	Very high	51 Å²	51	52.6 Å²	52.6	27%	0.267	30%	0.295	S	S	.	.	S	Bend	trans	-116.5	27	176.5	-64	174.6	0	0	0	111.8	L63 I75 F181	L63-L78 HydrophobicContact CD2-CD1 3.81Å; L63-L78 HydrophobicContact CD2-CG 3.93Å; I75-L78 HydrophobicContact CG2-CD2 4.1Å; L78-F181 WeakPolarHBondContact O-CE2 3.32Å; L78-F181 WeakPolarHBondContact O-CZ 3.46Å
79	Q	89.2	Confident	95	Very high	141 Å²	141	48.9 Å²	48.9	66%	0.659	27%	0.269	S	S	*	.	S	Bend	trans	-94	158.9	172.4	-56.2	-68.5	-15.6	0	0	109.4	D81 A82	Q79-D81 WeakPolarHBondContact CB-OD1 3.36Å; Q79-D81 PolarHBondContact O-N 2.82Å; Q79-A82 HydrophobicContact CB-CB 4.31Å; Q79-A82 WeakPolarHBondContact O-CB 3.3Å; Q79-A82 PolarHBondContact O-N 2.79Å
80	T	81.8	Confident	95	Very high	54 Å²	54	52 Å²	52	33%	0.331	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.3	179.7	49.7	0	0	0	0	113	R149 M180 F181 L184	T80-R149 PolarHBondContact O-NH1 2.84Å; T80-R149 PolarHBondContact O-NH2 3.46Å; T80-M180 HydrophobicContact CG2-CE 4.27Å; T80-F181 HydrophobicContact CG2-CD1 3.9Å; T80-F181 HydrophobicContact CG2-CE1 3.27Å; T80-F181 HydrophobicContact CG2-CZ 3.99Å; T80-L184 HydrophobicContact CG2-CD1 4.33Å
81	D	87.1	Confident	95	Very high	134 Å²	134	55.9 Å²	55.9	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	8.5	-178	64	-23	0	0	0	113.4	Q79	Q79-D81 WeakPolarHBondContact CB-OD1 3.36Å; Q79-D81 PolarHBondContact O-N 2.82Å
82	A	91.2	Very high	95.1	Very high	27 Å²	27	56 Å²	56	22%	0.223	30%	0.299	C	S	.	.			trans	-59.3	142	175.5	0	0	0	0	0	111	Q79	Q79-A82 HydrophobicContact CB-CB 4.31Å; Q79-A82 WeakPolarHBondContact O-CB 3.3Å; Q79-A82 PolarHBondContact O-N 2.79Å
83	E	95.3	Very high	95.1	Very high	150 Å²	150	55.2 Å²	55.2	70%	0.701	30%	0.296	S	S	*	.			trans	-61.7	145	167.4	-171.4	174.1	177.3	0	0	109.9	I76	I76-E83 HydrophobicContact CD1-CB 4.05Å; I76-E83 HydrophobicContact CD1-CG 3.93Å
84	E	97.8	Very high	95.1	Very high	48 Å²	48	60 Å²	60	22%	0.224	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-120.3	144.7	179.2	-66.3	-176.3	107.8	0	0	109.9	E86 I89 W145 P147 L148	E84-E86 PolarHBondContact O-N 2.94Å; E84-I89 HydrophobicContact CB-CD1 4.03Å; E84-W145 PolarHBondContact OE1-NE1 3.07Å; E84-P147 VanDerWaalsContact OE1-CA 3.24Å; E84-P147 WeakPolarHBondContact OE1-CA 3.46Å; E84-P147 WeakPolarHBondContact OE1-CB 3.44Å; E84-L148 HydrophobicContact CB-CD2 3.92Å; E84-L148 WeakPolarHBondContact OE2-CA 3.43Å; E84-L148 PolarHBondContact OE2-N 2.96Å
85	D	98.1	Very high	95.1	Very high	41 Å²	41	63 Å²	63	22%	0.219	33%	0.334	C	S	.	.			trans	-71.1	75.4	176	176.4	16.5	0	0	0	111.3	D74 A87 G88 I89	D74-D85 HydrophobicContact CB-CB 3.96Å; D74-D85 PolarHBondContact N-OD2 2.8Å; D74-D85 WeakPolarHBondContact O-CB 3.3Å; D85-A87 VanDerWaalsContact C-N 3.26Å; D85-A87 PolarHBondContact O-N 2.94Å; D85-G88 PolarHBondContact O-N 3.02Å; D85-G88 WeakPolarHBondContact OD1-CA 3.35Å; D85-G88 PolarHBondContact OD1-N 3.37Å; D85-G88 VanDerWaalsContact OD2-CA 3.3Å; D85-G88 WeakPolarHBondContact OD2-CA 3.42Å; D85-I89 WeakPolarHBondContact O-CB 3.39Å; D85-I89 WeakPolarHBondContact O-CD1 3.28Å; D85-I89 WeakPolarHBondContact O-CG1 3.24Å; D85-I89 PolarHBondContact O-N 3.15Å
86	E	98.4	Very high	95.2	Very high	92 Å²	92	62.9 Å²	62.9	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-55.6	-42.3	-176.1	174.8	169.9	-176.6	0	0	112.2	E84 K90 L148	E84-E86 PolarHBondContact O-N 2.94Å; E86-K90 HydrophobicContact CG-CD 4.19Å; E86-K90 WeakPolarHBondContact O-CB 3.44Å; E86-K90 WeakPolarHBondContact O-CG 3.41Å; E86-K90 PolarHBondContact O-N 3.46Å; E86-K90 WeakPolarHBondContact OE1-CE 3.35Å; E86-K90 IonicContact OE1-NZ 2.7Å; E86-K90 PolarHBondContact OE1-NZ 3.02Å; E86-L148 HydrophobicContact CB-CD1 4.17Å; E86-L148 HydrophobicContact CB-CD2 3.84Å; E86-L148 HydrophobicContact CG-CD1 3.8Å; E86-L148 HydrophobicContact CG-CD2 4.22Å
87	A	98.4	Very high	95.3	Very high	74 Å²	74	61.2 Å²	61.2	61%	0.612	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-46.7	-179.8	0	0	0	0	0	111.3	D85 K90 Q91	D85-A87 VanDerWaalsContact C-N 3.26Å; D85-A87 PolarHBondContact O-N 2.94Å; A87-K90 PolarHBondContact O-N 2.81Å; A87-Q91 WeakPolarHBondContact O-CB 2.99Å; A87-Q91 PolarHBondContact O-N 2.92Å
88	G	98.6	Very high	95.6	Very high	5 Å²	5	62.1 Å²	62.1	5%	0.052	33%	0.329	C	S	.	.	H	α-helix	trans	-68.8	-37	178.5	0	0	0	0	0	113.3	D85 Q91 A92	D85-G88 PolarHBondContact O-N 3.02Å; D85-G88 WeakPolarHBondContact OD1-CA 3.35Å; D85-G88 PolarHBondContact OD1-N 3.37Å; D85-G88 VanDerWaalsContact OD2-CA 3.3Å; D85-G88 WeakPolarHBondContact OD2-CA 3.42Å; G88-Q91 PolarHBondContact O-N 3.32Å; G88-A92 VanDerWaalsContact O-CB 3.24Å; G88-A92 WeakPolarHBondContact O-CB 3.39Å; G88-A92 PolarHBondContact O-N 3.41Å
89	I	98.8	Very high	96.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-48.6	174.1	-70.3	159	0	0	0	110.1	F73 E84 D85 A92 S93 Y127 P147 L148	F73-I89 HydrophobicContact CB-CG1 4.03Å; F73-I89 HydrophobicContact CD1-CG1 3.79Å; F73-I89 HydrophobicContact CD2-CD1 4.09Å; F73-I89 HydrophobicContact CD2-CG1 3.49Å; F73-I89 VanDerWaalsContact CD2-CG1 3.49Å; F73-I89 HydrophobicContact CE1-CG1 4.05Å; F73-I89 HydrophobicContact CE2-CD1 4.11Å; F73-I89 HydrophobicContact CE2-CG1 3.78Å; F73-I89 HydrophobicContact CG-CB 4.49Å; F73-I89 HydrophobicContact CG-CG1 3.5Å; F73-I89 VanDerWaalsContact CG-CG1 3.5Å; F73-I89 HydrophobicContact CZ-CG1 4.04Å; E84-I89 HydrophobicContact CB-CD1 4.03Å; D85-I89 WeakPolarHBondContact O-CB 3.39Å; D85-I89 WeakPolarHBondContact O-CD1 3.28Å; D85-I89 WeakPolarHBondContact O-CG1 3.24Å; D85-I89 PolarHBondContact O-N 3.15Å; I89-A92 PolarHBondContact O-N 2.95Å; I89-S93 WeakPolarHBondContact O-CB 3.46Å; I89-S93 PolarHBondContact O-N 3.34Å; I89-Y127 HydrophobicContact CG2-CD1 3.77Å; I89-Y127 HydrophobicContact CG2-CD2 4.2Å; I89-Y127 HydrophobicContact CG2-CE1 3.99Å; I89-Y127 HydrophobicContact CG2-CE2 4.41Å; I89-Y127 HydrophobicContact CG2-CG 3.88Å; I89-P147 HydrophobicContact CD1-CB 3.98Å; I89-P147 HydrophobicContact CG2-CG 4.33Å; I89-L148 HydrophobicContact CB-CD1 4.35Å; I89-L148 HydrophobicContact CD1-CD1 4.37Å; I89-L148 HydrophobicContact CD1-CD2 4.16Å; I89-L148 HydrophobicContact CD1-CG 4.03Å; I89-L148 HydrophobicContact CG2-CD1 4.05Å
90	K	98.7	Very high	96.7	Very high	92 Å²	92	54 Å²	54	40%	0.4	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-45.9	177	-75.2	177	-176.1	176.1	0	111.7	E86 A87 A92 S93 E94 Y127	E86-K90 HydrophobicContact CG-CD 4.19Å; E86-K90 WeakPolarHBondContact O-CB 3.44Å; E86-K90 WeakPolarHBondContact O-CG 3.41Å; E86-K90 PolarHBondContact O-N 3.46Å; E86-K90 WeakPolarHBondContact OE1-CE 3.35Å; E86-K90 IonicContact OE1-NZ 2.7Å; E86-K90 PolarHBondContact OE1-NZ 3.02Å; A87-K90 PolarHBondContact O-N 2.81Å; K90-A92 PolarHBondContact O-N 2.68Å; K90-S93 WeakPolarHBondContact O-CB 3.36Å; K90-S93 PolarHBondContact O-N 3.4Å; K90-E94 PolarHBondContact O-N 3.03Å; K90-Y127 HydrophobicContact CG-CE1 4.26Å; K90-Y127 WeakPolarHBondContact CG-OH 3.38Å
91	Q	98.6	Very high	97.5	Very high	113 Å²	113	54.4 Å²	54.4	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-45.1	177.8	-173.2	-173.8	29.8	0	0	111.8	A87 G88 S93 E94 N95	A87-Q91 WeakPolarHBondContact O-CB 2.99Å; A87-Q91 PolarHBondContact O-N 2.92Å; G88-Q91 PolarHBondContact O-N 3.32Å; Q91-S93 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 2.88Å; Q91-E94 PolarHBondContact O-N 3.47Å; Q91-N95 PolarHBondContact O-N 3.17Å; Q91-N95 VanDerWaalsContact O-N 3.15Å; Q91-N95 PolarHBondContact O-ND2 3.31Å
92	A	98.6	Very high	98	Very high	4 Å²	4	53 Å²	53	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-40.1	177.5	0	0	0	0	0	111.1	W72 G88 I89 K90 E94 N95 I96 L124	W72-A92 HydrophobicContact CB-CB 4.43Å; G88-A92 VanDerWaalsContact O-CB 3.24Å; G88-A92 WeakPolarHBondContact O-CB 3.39Å; G88-A92 PolarHBondContact O-N 3.41Å; I89-A92 PolarHBondContact O-N 2.95Å; K90-A92 PolarHBondContact O-N 2.68Å; A92-E94 PolarHBondContact O-N 3.1Å; A92-N95 WeakPolarHBondContact O-CB 3.31Å; A92-N95 PolarHBondContact O-N 3.47Å; A92-N95 VanDerWaalsContact O-N 3.15Å; A92-I96 WeakPolarHBondContact O-CG1 3.46Å; A92-I96 PolarHBondContact O-N 3.15Å; A92-L124 HydrophobicContact CB-CD1 3.84Å; A92-L124 HydrophobicContact CB-CD2 3.66Å; A92-L124 HydrophobicContact CB-CG 4.45Å
93	S	98.8	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-44.8	176	179	0	0	0	0	111.9	I89 K90 Q91 N95 I96 K97 T128	I89-S93 WeakPolarHBondContact O-CB 3.46Å; I89-S93 PolarHBondContact O-N 3.34Å; K90-S93 WeakPolarHBondContact O-CB 3.36Å; K90-S93 PolarHBondContact O-N 3.4Å; Q91-S93 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 2.88Å; S93-N95 VanDerWaalsContact C-N 3.31Å; S93-N95 PolarHBondContact O-N 3.15Å; S93-I96 PolarHBondContact O-N 3.42Å; S93-I96 VanDerWaalsContact O-N 3.17Å; S93-K97 WeakPolarHBondContact O-CG 3.42Å; S93-K97 PolarHBondContact O-N 3.47Å; S93-K97 WeakPolarHBondContact OG-CE 3.3Å; S93-T128 WeakPolarHBondContact OG-CA 3.44Å; S93-T128 PolarHBondContact OG-OG1 2.95Å
94	E	98.6	Very high	98.5	Very high	104 Å²	104	47.7 Å²	47.7	49%	0.486	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-37.2	175.3	-65	-49.8	128.3	0	0	112.5	K90 Q91 A92 I96 K97 A98	K90-E94 PolarHBondContact O-N 3.03Å; Q91-E94 PolarHBondContact O-N 3.47Å; A92-E94 PolarHBondContact O-N 3.1Å; E94-I96 VanDerWaalsContact C-N 3.34Å; E94-I96 PolarHBondContact O-N 3.5Å; E94-K97 PolarHBondContact O-N 3.39Å; E94-K97 IonicContact OE1-NZ 3.92Å; E94-K97 PolarHBondContact OE1-NZ 3.2Å; E94-A98 PolarHBondContact O-N 3.32Å
95	N	98.3	Very high	98.6	Very high	100 Å²	100	53.7 Å²	53.7	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-38.8	174.7	-64.7	-28.4	0	0	0	112	Q91 A92 S93 A98 L99	Q91-N95 PolarHBondContact O-N 3.17Å; Q91-N95 VanDerWaalsContact O-N 3.15Å; Q91-N95 PolarHBondContact O-ND2 3.31Å; A92-N95 WeakPolarHBondContact O-CB 3.31Å; A92-N95 PolarHBondContact O-N 3.47Å; A92-N95 VanDerWaalsContact O-N 3.15Å; S93-N95 VanDerWaalsContact C-N 3.31Å; S93-N95 PolarHBondContact O-N 3.15Å; N95-A98 PolarHBondContact O-N 3.22Å; N95-L99 PolarHBondContact O-N 3.5Å
96	I	98.7	Very high	98.6	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-39	175.6	-59.1	-49.2	0	0	0	111.2	L27 W72 A92 S93 E94 A98 L99 I100 L115 L124 T128	L27-I96 HydrophobicContact CD1-CD1 3.94Å; L27-I96 HydrophobicContact CD1-CG1 3.85Å; L27-I96 HydrophobicContact CD2-CD1 3.63Å; L27-I96 HydrophobicContact CD2-CG1 4.41Å; L27-I96 HydrophobicContact CG-CD1 4.47Å; W72-I96 HydrophobicContact CE3-CD1 4.48Å; W72-I96 HydrophobicContact CZ3-CD1 4.05Å; A92-I96 WeakPolarHBondContact O-CG1 3.46Å; A92-I96 PolarHBondContact O-N 3.15Å; S93-I96 PolarHBondContact O-N 3.42Å; S93-I96 VanDerWaalsContact O-N 3.17Å; E94-I96 VanDerWaalsContact C-N 3.34Å; E94-I96 PolarHBondContact O-N 3.5Å; I96-A98 VanDerWaalsContact C-N 3.29Å; I96-A98 PolarHBondContact O-N 2.88Å; I96-L99 WeakPolarHBondContact O-CB 3.26Å; I96-L99 PolarHBondContact O-N 2.92Å; I96-L99 VanDerWaalsContact O-N 3.12Å; I96-I100 HydrophobicContact CG2-CD1 4.2Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 3.05Å; I96-L115 HydrophobicContact CG2-CD1 3.69Å; I96-L115 HydrophobicContact CG2-CD2 4.04Å; I96-L124 HydrophobicContact CG1-CD2 3.92Å; I96-L124 HydrophobicContact CG1-CG 4.27Å; I96-T128 HydrophobicContact CB-CG2 4.02Å; I96-T128 HydrophobicContact CG2-CG2 3.88Å
97	K	98.7	Very high	98.6	Very high	27 Å²	27	55.9 Å²	55.9	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-41.7	171.9	-68.6	172.3	-165.8	172.2	0	111.5	S93 E94 L99 I100 D101 T128	S93-K97 WeakPolarHBondContact O-CG 3.42Å; S93-K97 PolarHBondContact O-N 3.47Å; S93-K97 WeakPolarHBondContact OG-CE 3.3Å; E94-K97 PolarHBondContact O-N 3.39Å; E94-K97 IonicContact OE1-NZ 3.92Å; E94-K97 PolarHBondContact OE1-NZ 3.2Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-L99 PolarHBondContact O-N 3.44Å; K97-I100 WeakPolarHBondContact O-CB 3.46Å; K97-I100 PolarHBondContact O-N 3.04Å; K97-D101 PolarHBondContact O-N 3.43Å; K97-T128 HydrophobicContact CG-CG2 3.88Å
98	A	98.4	Very high	98.6	Very high	42 Å²	42	52.8 Å²	52.8	35%	0.347	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-35.7	175.1	0	0	0	0	0	112.8	E94 N95 I96 D101 Q102	E94-A98 PolarHBondContact O-N 3.32Å; N95-A98 PolarHBondContact O-N 3.22Å; I96-A98 VanDerWaalsContact C-N 3.29Å; I96-A98 PolarHBondContact O-N 2.88Å; A98-D101 WeakPolarHBondContact O-CB 3.24Å; A98-D101 PolarHBondContact O-N 3.21Å; A98-Q102 WeakPolarHBondContact O-CG 3.01Å; A98-Q102 PolarHBondContact O-N 3.42Å
99	L	98.5	Very high	98.6	Very high	21 Å²	21	55.1 Å²	55.1	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-39.7	173.6	-178.9	60.8	0	0	0	111.8	I25 I52 P54 N95 I96 K97 D101 Q102 E103	I25-L99 HydrophobicContact CD1-CD2 4.35Å; I25-L99 HydrophobicContact CD1-CG 4.09Å; I25-L99 HydrophobicContact CG2-CD2 3.79Å; I52-L99 HydrophobicContact CG2-CD2 4.39Å; P54-L99 HydrophobicContact CB-CD2 4.18Å; P54-L99 HydrophobicContact CG-CD2 3.99Å; N95-L99 PolarHBondContact O-N 3.5Å; I96-L99 WeakPolarHBondContact O-CB 3.26Å; I96-L99 PolarHBondContact O-N 2.92Å; I96-L99 VanDerWaalsContact O-N 3.12Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-L99 PolarHBondContact O-N 3.44Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-Q102 WeakPolarHBondContact O-CB 3.44Å; L99-Q102 PolarHBondContact O-N 3.47Å; L99-E103 PolarHBondContact O-N 2.94Å
100	I	98.8	Very high	98.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-46.5	172.2	-64.9	161.3	0	0	0	109.8	I25 I96 K97 Q102 E103 V104 I113 L115 T128 Q134 L136	I25-I100 HydrophobicContact CD1-CG1 3.75Å; I96-I100 HydrophobicContact CG2-CD1 4.2Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 3.05Å; K97-I100 WeakPolarHBondContact O-CB 3.46Å; K97-I100 PolarHBondContact O-N 3.04Å; I100-Q102 VanDerWaalsContact C-N 3.26Å; I100-Q102 PolarHBondContact O-N 3.42Å; I100-E103 PolarHBondContact O-N 2.85Å; I100-E103 VanDerWaalsContact O-N 3.11Å; I100-V104 HydrophobicContact CG2-CG2 4.47Å; I100-V104 WeakPolarHBondContact O-CG2 3.45Å; I100-V104 PolarHBondContact O-N 3.37Å; I100-I113 HydrophobicContact CG2-CD1 3.98Å; I100-L115 HydrophobicContact CD1-CD2 4.41Å; I100-T128 HydrophobicContact CD1-CG2 4.45Å; I100-Q134 VanDerWaalsContact CG2-OE1 3.24Å; I100-L136 HydrophobicContact CD1-CD2 4.17Å; I100-L136 HydrophobicContact CG2-CD2 4.17Å
101	D	98.6	Very high	98.6	Very high	64 Å²	64	56.6 Å²	56.6	34%	0.342	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-35.8	177.7	-73.3	-18.2	0	0	0	112.8	K97 A98 L99 V104 K105 Q134	K97-D101 PolarHBondContact O-N 3.43Å; A98-D101 WeakPolarHBondContact O-CB 3.24Å; A98-D101 PolarHBondContact O-N 3.21Å; L99-D101 VanDerWaalsContact C-N 3.34Å; D101-V104 PolarHBondContact O-N 2.92Å; D101-K105 WeakPolarHBondContact O-CB 3.39Å; D101-K105 VanDerWaalsContact O-CG 3.28Å; D101-K105 WeakPolarHBondContact O-CG 3.3Å; D101-K105 PolarHBondContact O-N 3.28Å; D101-Q134 PolarHBondContact OD1-NE2 3.02Å; D101-Q134 PolarHBondContact OD1-OE1 2.88Å
102	Q	98.5	Very high	98.6	Very high	104 Å²	104	52.1 Å²	52.1	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-44.7	176.1	-72.3	170.5	18	0	0	111.3	A98 L99 I100 V104 K105 N106	A98-Q102 WeakPolarHBondContact O-CG 3.01Å; A98-Q102 PolarHBondContact O-N 3.42Å; L99-Q102 WeakPolarHBondContact O-CB 3.44Å; L99-Q102 PolarHBondContact O-N 3.47Å; I100-Q102 VanDerWaalsContact C-N 3.26Å; I100-Q102 PolarHBondContact O-N 3.42Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; Q102-V104 PolarHBondContact O-N 2.84Å; Q102-K105 PolarHBondContact O-N 2.64Å; Q102-N106 WeakPolarHBondContact O-CB 3.5Å; Q102-N106 PolarHBondContact O-N 3.04Å; Q102-N106 PolarHBondContact O-ND2 3.47Å
103	E	98.6	Very high	98.6	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-35.8	177	-63.4	-58.6	124.6	0	0	112	K50 I52 L99 I100 N106 G107 I108 I113	K50-E103 IonicContact NZ-OE1 3.7Å; K50-E103 PolarHBondContact NZ-OE1 3.35Å; K50-E103 IonicContact NZ-OE2 2.84Å; K50-E103 PolarHBondContact NZ-OE2 2.93Å; I52-E103 HydrophobicContact CD1-CG 3.64Å; I52-E103 WeakPolarHBondContact CD1-OE2 3.45Å; L99-E103 PolarHBondContact O-N 2.94Å; I100-E103 PolarHBondContact O-N 2.85Å; I100-E103 VanDerWaalsContact O-N 3.11Å; E103-N106 CarbonylContact O-C 3.43Å; E103-N106 PolarHBondContact O-N 2.92Å; E103-G107 PolarHBondContact O-N 2.95Å; E103-I108 PolarHBondContact O-N 2.81Å; E103-I113 HydrophobicContact CB-CD1 3.77Å
104	V	98.7	Very high	98.6	Very high	56 Å²	56	51.9 Å²	51.9	34%	0.339	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-47.6	172	175.1	0	0	0	0	111.5	I100 D101 Q102 N106 G107 I108 I113	I100-V104 HydrophobicContact CG2-CG2 4.47Å; I100-V104 WeakPolarHBondContact O-CG2 3.45Å; I100-V104 PolarHBondContact O-N 3.37Å; D101-V104 PolarHBondContact O-N 2.92Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; Q102-V104 PolarHBondContact O-N 2.84Å; V104-N106 PolarHBondContact O-N 3.26Å; V104-G107 PolarHBondContact O-N 3.23Å; V104-I108 VanDerWaalsContact CA-O 3.22Å; V104-I108 WeakPolarHBondContact CA-O 3.34Å; V104-I113 HydrophobicContact CG2-CD1 4.29Å
105	K	98.6	Very high	98.6	Very high	173 Å²	173	47 Å²	47	75%	0.752	26%	0.259	S	S	*	.	H	α-helix	trans	-62.9	-31.1	175.7	-72.9	170	-174.5	172.9	0	112.4	D101 Q102 G107	D101-K105 WeakPolarHBondContact O-CB 3.39Å; D101-K105 VanDerWaalsContact O-CG 3.28Å; D101-K105 WeakPolarHBondContact O-CG 3.3Å; D101-K105 PolarHBondContact O-N 3.28Å; Q102-K105 PolarHBondContact O-N 2.64Å; K105-G107 PolarHBondContact O-N 2.8Å
106	N	97.9	Very high	98.6	Very high	121 Å²	121	42.2 Å²	42.2	65%	0.647	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	1.9	174.7	-66.9	-23.4	0	0	0	113.4	Q102 E103 V104	Q102-N106 WeakPolarHBondContact O-CB 3.5Å; Q102-N106 PolarHBondContact O-N 3.04Å; Q102-N106 PolarHBondContact O-ND2 3.47Å; E103-N106 CarbonylContact O-C 3.43Å; E103-N106 PolarHBondContact O-N 2.92Å; V104-N106 PolarHBondContact O-N 3.26Å
107	G	98.2	Very high	98.6	Very high	59 Å²	59	42 Å²	42	61%	0.608	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.6	10	170.2	0	0	0	0	0	115.6	E103 V104 K105 P109	E103-G107 PolarHBondContact O-N 2.95Å; V104-G107 PolarHBondContact O-N 3.23Å; K105-G107 PolarHBondContact O-N 2.8Å; G107-P109 WeakPolarHBondContact O-CD 3.13Å
108	I	98.8	Very high	98.6	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.046	23%	0.231	C	C	.	.			trans	-100.5	104.9	172.1	-59.5	177	0	0	0	108.6	A20 A23 E103 V104 R112 I113	A20-I108 HydrophobicContact CB-CD1 4.03Å; A23-I108 HydrophobicContact CB-CD1 4.04Å; A23-I108 HydrophobicContact CB-CG2 4.34Å; E103-I108 PolarHBondContact O-N 2.81Å; V104-I108 VanDerWaalsContact CA-O 3.22Å; V104-I108 WeakPolarHBondContact CA-O 3.34Å; I108-R112 HydrophobicContact CG2-CB 4.03Å; I108-I113 HydrophobicContact CG2-CD1 4.4Å; I108-I113 HydrophobicContact CG2-CG1 3.87Å
109	P	98.6	Very high	98.6	Very high	54 Å²	54	40.1 Å²	40.1	35%	0.351	22%	0.218	S	C	.	.			trans	-56.4	147.5	-179.8	-22.1	32	0	0	0	112.1	G107 H111 R112	G107-P109 WeakPolarHBondContact O-CD 3.13Å; P109-H111 WeakPolarHBondContact CB-CE1 3.37Å; P109-H111 PolarHBondContact O-N 3.4Å; P109-H111 VanDerWaalsContact O-N 3.13Å; P109-R112 HydrophobicContact CB-CG 4.45Å; P109-R112 HydrophobicContact CG-CG 4.48Å; P109-R112 WeakPolarHBondContact O-CA 3.3Å; P109-R112 VanDerWaalsContact O-CB 3.3Å; P109-R112 WeakPolarHBondContact O-CB 3.24Å; P109-R112 PolarHBondContact O-N 3.11Å
110	S	98.6	Very high	98.7	Very high	21 Å²	21	39.1 Å²	39.1	15%	0.147	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.3	-34.1	-175.6	65.8	0	0	0	0	113.2	R112 I113 K135 L136	S110-R112 PolarHBondContact O-N 2.72Å; S110-R112 VanDerWaalsContact O-N 3.1Å; S110-I113 WeakPolarHBondContact O-CB 3.46Å; S110-I113 PolarHBondContact O-N 3.08Å; S110-K135 CarbonylContact C-O 3.49Å; S110-K135 VanDerWaalsContact CB-O 3.24Å; S110-K135 WeakPolarHBondContact CB-O 3.14Å; S110-K135 PolarHBondContact OG-O 3.39Å; S110-L136 WeakPolarHBondContact O-CA 3.24Å
111	H	98.6	Very high	98.7	Very high	101 Å²	101	39.1 Å²	39.1	47%	0.468	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-70.6	-4.2	177.5	68	-93.8	0	0	0	113.2	P109 K135 G137	P109-H111 WeakPolarHBondContact CB-CE1 3.37Å; P109-H111 PolarHBondContact O-N 3.4Å; P109-H111 VanDerWaalsContact O-N 3.13Å; H111-K135 VanDerWaalsContact CA-O 3.28Å; H111-K135 WeakPolarHBondContact CA-O 3.36Å; H111-K135 HydrophobicContact CB-CG 4.45Å; H111-K135 PolarHBondContact N-O 2.97Å; H111-G137 VanDerWaalsContact O-CA 3.24Å; H111-G137 WeakPolarHBondContact O-CA 3.19Å
112	R	98.8	Very high	98.7	Very high	19 Å²	19	36 Å²	36	7%	0.072	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-105.9	14.4	170.9	-63.7	-71.7	-66.6	178.5	-4.6	111.9	T21 A22 A23 I108 P109 S110 L226 P227	T21-R112 PolarHBondContact O-NE 3.34Å; T21-R112 PolarHBondContact OG1-NH2 3.21Å; T21-R112 VanDerWaalsContact OG1-NH2 3.11Å; A22-R112 CarbonylContact C-O 3.57Å; A22-R112 WeakPolarHBondContact CA-O 3.47Å; A22-R112 HydrophobicContact CB-CB 4.25Å; A22-R112 WeakPolarHBondContact CB-O 3.4Å; A23-R112 PolarHBondContact N-O 2.94Å; I108-R112 HydrophobicContact CG2-CB 4.03Å; P109-R112 HydrophobicContact CB-CG 4.45Å; P109-R112 HydrophobicContact CG-CG 4.48Å; P109-R112 WeakPolarHBondContact O-CA 3.3Å; P109-R112 VanDerWaalsContact O-CB 3.3Å; P109-R112 WeakPolarHBondContact O-CB 3.24Å; P109-R112 PolarHBondContact O-N 3.11Å; S110-R112 PolarHBondContact O-N 2.72Å; S110-R112 VanDerWaalsContact O-N 3.1Å; R112-L226 WeakPolarHBondContact O-CD2 3.49Å; R112-P227 VanDerWaalsContact CZ-O 3.24Å; R112-P227 PolarHBondContact NH1-O 2.9Å; R112-P227 PolarHBondContact NH2-O 2.79Å
113	I	98.9	Very high	98.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.2	177.6	-57	178.8	0	0	0	108.7	A23 I25 I100 E103 V104 I108 S110 G137	A23-I113 HydrophobicContact CB-CG1 4.33Å; A23-I113 VanDerWaalsContact O-CA 3.3Å; A23-I113 WeakPolarHBondContact O-CA 3.28Å; I25-I113 HydrophobicContact CD1-CG2 3.92Å; I25-I113 HydrophobicContact CG1-CG2 4.21Å; I100-I113 HydrophobicContact CG2-CD1 3.98Å; E103-I113 HydrophobicContact CB-CD1 3.77Å; V104-I113 HydrophobicContact CG2-CD1 4.29Å; I108-I113 HydrophobicContact CG2-CD1 4.4Å; I108-I113 HydrophobicContact CG2-CG1 3.87Å; S110-I113 WeakPolarHBondContact O-CB 3.46Å; S110-I113 PolarHBondContact O-N 3.08Å; I113-G137 PolarHBondContact O-N 3.06Å
114	V	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.5	166	165.9	0	0	0	0	108.1	A23 V24 I25 G138 V140 F221 Q225 L226	A23-V114 PolarHBondContact O-N 2.85Å; V24-V114 VanDerWaalsContact CA-O 3.32Å; V24-V114 WeakPolarHBondContact CA-O 3.44Å; V24-V114 HydrophobicContact CG2-CB 4.25Å; I25-V114 PolarHBondContact N-O 3.36Å; V114-G138 WeakPolarHBondContact CA-O 3.47Å; V114-V140 HydrophobicContact CG1-CG2 3.95Å; V114-F221 HydrophobicContact CG1-CE1 4.3Å; V114-F221 HydrophobicContact CG2-CE1 4.47Å; V114-Q225 HydrophobicContact CG2-CB 4.37Å; V114-L226 HydrophobicContact CB-CD1 4.23Å; V114-L226 HydrophobicContact CG2-CD1 3.78Å; V114-L226 HydrophobicContact CG2-CD2 4.18Å; V114-L226 HydrophobicContact CG2-CG 3.92Å
115	L	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.7	174.2	-177.6	63	0	0	0	108.9	I25 I96 I100 S125 T128 A129 L136 G138 V139 V140	I25-L115 HydrophobicContact CB-CD1 3.9Å; I25-L115 HydrophobicContact CG2-CD1 3.81Å; I25-L115 CarbonylContact O-C 3.56Å; I96-L115 HydrophobicContact CG2-CD1 3.69Å; I96-L115 HydrophobicContact CG2-CD2 4.04Å; I100-L115 HydrophobicContact CD1-CD2 4.41Å; L115-S125 WeakPolarHBondContact CD2-O 3.5Å; L115-S125 WeakPolarHBondContact CG-OG 3.19Å; L115-T128 HydrophobicContact CD2-CG2 3.88Å; L115-A129 HydrophobicContact CD2-CB 4.49Å; L115-L136 HydrophobicContact CB-CD1 3.99Å; L115-L136 HydrophobicContact CD2-CD1 4.29Å; L115-G138 PolarHBondContact N-O 2.97Å; L115-V139 HydrophobicContact CB-CG2 4.47Å; L115-V139 WeakPolarHBondContact O-CA 3.46Å; L115-V140 PolarHBondContact O-N 2.71Å; L115-V140 VanDerWaalsContact O-N 3.08Å
116	G	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	173.7	-179.1	0	0	0	0	0	113.1	I25 F26 L27 S125 V140	I25-G116 PolarHBondContact O-N 3.32Å; F26-G116 CarbonylContact C-O 3.59Å; F26-G116 WeakPolarHBondContact CA-O 3.28Å; L27-G116 PolarHBondContact N-O 2.91Å; G116-S125 PolarHBondContact O-OG 2.84Å; G116-V140 CarbonylContact C-O 3.58Å; G116-V140 WeakPolarHBondContact CA-O 3.49Å
117	G	98.9	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	170.6	174.3	0	0	0	0	0	113.3	F26 L27 G122 V140 L142	F26-G117 VanDerWaalsContact CZ-CA 3.46Å; L27-G117 CarbonylContact O-C 3.56Å; L27-G117 WeakPolarHBondContact O-CA 3.39Å; G117-G122 VanDerWaalsContact C-N 3.26Å; G117-G122 VanDerWaalsContact O-CA 3.28Å; G117-G122 WeakPolarHBondContact O-CA 3.45Å; G117-V140 PolarHBondContact N-O 3.36Å; G117-L142 PolarHBondContact O-N 2.86Å
118	F	98.9	Very high	98.8	Very high	19 Å²	19	11.8 Å²	11.8	8%	0.083	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.9	178.2	176	-96.1	0	0	0	111.1	F26 L27 G29 W37 Q120 G121 G122 L142 H208	F26-F118 HydrophobicContact CE1-CB 4.12Å; F26-F118 HydrophobicContact CZ-CB 4.14Å; L27-F118 PolarHBondContact O-N 2.98Å; G29-F118 WeakPolarHBondContact CA-O 3.49Å; G29-F118 PolarHBondContact N-O 3.49Å; W37-F118 HydrophobicContact CH2-CB 3.91Å; W37-F118 AromaticContact CH2-CD2 3.95Å; W37-F118 HydrophobicContact CH2-CD2 3.95Å; W37-F118 HydrophobicContact CH2-CG 4.1Å; W37-F118 HydrophobicContact CZ2-CB 3.29Å; W37-F118 HydrophobicContact CZ2-CD1 4.1Å; W37-F118 AromaticContact CZ2-CD2 3.69Å; W37-F118 HydrophobicContact CZ2-CD2 3.69Å; W37-F118 AromaticContact CZ2-CG 3.43Å; W37-F118 HydrophobicContact CZ2-CG 3.43Å; W37-F118 VanDerWaalsContact CZ2-CG 3.43Å; F118-Q120 PolarHBondContact O-N 3.38Å; F118-G121 WeakPolarHBondContact O-CA 3.35Å; F118-G121 PolarHBondContact O-N 3.4Å; F118-G122 PolarHBondContact O-N 3.38Å; F118-L142 CarbonylContact C-O 3.49Å; F118-L142 WeakPolarHBondContact CA-O 3.37Å; F118-L142 HydrophobicContact CB-CB 4.44Å; F118-L142 HydrophobicContact CD2-CB 3.97Å; F118-H208 AromaticContact CE1-CD2 3.78Å; F118-H208 AromaticContact CE1-NE2 3.44Å; F118-H208 WeakPolarHBondContact CE1-NE2 3.4Å; F118-H208 AromaticContact CZ-CD2 3.62Å; F118-H208 AromaticContact CZ-CE1 3.75Å; F118-H208 AromaticContact CZ-CG 3.93Å; F118-H208 AromaticContact CZ-ND1 3.99Å; F118-H208 AromaticContact CZ-NE2 3.53Å
119	S	98.6	Very high	98.8	Very high	11 Å²	11	11.4 Å²	11.4	8%	0.077	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-121.8	176.7	-170.8	0	0	0	0	111.2	G121 G122 A123 L142 S143 C144 H208	S119-G121 PolarHBondContact O-N 2.85Å; S119-G122 WeakPolarHBondContact O-CA 3.47Å; S119-G122 PolarHBondContact O-N 3.46Å; S119-A123 PolarHBondContact O-N 2.91Å; S119-L142 PolarHBondContact N-O 3.04Å; S119-S143 WeakPolarHBondContact CA-O 3.32Å; S119-C144 WeakPolarHBondContact O-CB 3.4Å; S119-H208 VanDerWaalsContact CB-NE2 3.34Å; S119-H208 WeakPolarHBondContact CB-NE2 3.42Å; S119-H208 PolarHBondContact OG-CE1 3.27Å; S119-H208 PolarHBondContact OG-NE2 2.75Å; S119-H208 VanDerWaalsContact OG-NE2 3.08Å
120	Q	98.6	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-51.9	-40.4	174.7	-168.5	-171.4	54.8	0	0	113.5	S71 F73 I75 F118 A123 L124 W145	S71-Q120 PolarHBondContact OG-NE2 2.95Å; S71-Q120 PolarHBondContact OG-OE1 3.26Å; F73-Q120 HydrophobicContact CD1-CG 4.18Å; F73-Q120 HydrophobicContact CD2-CG 4.46Å; F73-Q120 HydrophobicContact CE1-CG 3.53Å; F73-Q120 HydrophobicContact CE2-CG 3.87Å; F73-Q120 HydrophobicContact CZ-CG 3.36Å; F73-Q120 PolarHBondContact O-NE2 3.3Å; I75-Q120 HydrophobicContact CD1-CB 4.21Å; I75-Q120 HydrophobicContact CD1-CG 4.1Å; I75-Q120 VanDerWaalsContact CG1-NE2 3.25Å; F118-Q120 PolarHBondContact O-N 3.38Å; Q120-A123 WeakPolarHBondContact O-CB 3.36Å; Q120-A123 PolarHBondContact O-N 3Å; Q120-L124 PolarHBondContact O-N 2.85Å; Q120-W145 HydrophobicContact CB-CH2 4.43Å
121	G	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.8	-36.6	177.1	0	0	0	0	0	112.6	H28 F118 S119 L124 S125	H28-G121 WeakPolarHBondContact O-CA 3.39Å; H28-G121 PolarHBondContact O-N 3.19Å; F118-G121 WeakPolarHBondContact O-CA 3.35Å; F118-G121 PolarHBondContact O-N 3.4Å; S119-G121 PolarHBondContact O-N 2.85Å; G121-L124 PolarHBondContact O-N 3.22Å; G121-S125 WeakPolarHBondContact O-CB 3.33Å; G121-S125 PolarHBondContact O-N 2.82Å; G121-S125 PolarHBondContact O-OG 2.92Å; G121-S125 VanDerWaalsContact O-OG 3.11Å
122	G	98.9	Very high	98.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-64.3	-41.6	173.5	0	0	0	0	0	111.9	G117 F118 S119 S125 L126 C144	G117-G122 VanDerWaalsContact C-N 3.26Å; G117-G122 VanDerWaalsContact O-CA 3.28Å; G117-G122 WeakPolarHBondContact O-CA 3.45Å; F118-G122 PolarHBondContact O-N 3.38Å; S119-G122 WeakPolarHBondContact O-CA 3.47Å; S119-G122 PolarHBondContact O-N 3.46Å; G122-S125 PolarHBondContact O-N 3.39Å; G122-L126 PolarHBondContact O-N 3.23Å; G122-C144 VanDerWaalsContact C-SG 3.58Å
123	A	98.9	Very high	98.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-46.4	174.7	0	0	0	0	0	111.9	F73 S119 Q120 S125 L126 Y127 W145 P147	F73-A123 HydrophobicContact CZ-CB 4.49Å; S119-A123 PolarHBondContact O-N 2.91Å; Q120-A123 WeakPolarHBondContact O-CB 3.36Å; Q120-A123 PolarHBondContact O-N 3Å; A123-S125 VanDerWaalsContact C-N 3.34Å; A123-S125 PolarHBondContact O-N 3.06Å; A123-L126 PolarHBondContact O-N 3.47Å; A123-Y127 PolarHBondContact O-N 2.97Å; A123-Y127 VanDerWaalsContact O-N 3.07Å; A123-W145 WeakPolarHBondContact CA-O 3.48Å; A123-W145 HydrophobicContact CB-CD2 3.96Å; A123-W145 HydrophobicContact CB-CE3 4.28Å; A123-W145 HydrophobicContact CB-CG 4.41Å; A123-W145 HydrophobicContact CB-CH2 4.44Å; A123-W145 HydrophobicContact CB-CZ2 4.14Å; A123-W145 WeakPolarHBondContact CB-O 3.38Å; A123-P147 HydrophobicContact CB-CG 4.16Å; A123-P147 VanDerWaalsContact O-CD 3.22Å; A123-P147 WeakPolarHBondContact O-CD 3.1Å; A123-P147 WeakPolarHBondContact O-CG 3.37Å
124	L	98.9	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-41.1	175.2	-175.6	54.1	0	0	0	112.4	L27 W72 F73 A92 I96 Q120 G121 Y127 T128	L27-L124 HydrophobicContact CD1-CB 3.98Å; L27-L124 HydrophobicContact CD1-CD2 3.78Å; L27-L124 HydrophobicContact CD1-CG 3.83Å; W72-L124 HydrophobicContact CB-CD2 3.74Å; W72-L124 HydrophobicContact CD2-CD2 3.92Å; W72-L124 HydrophobicContact CE3-CD2 3.99Å; W72-L124 HydrophobicContact CG-CD2 3.81Å; F73-L124 HydrophobicContact CE1-CB 4.11Å; A92-L124 HydrophobicContact CB-CD1 3.84Å; A92-L124 HydrophobicContact CB-CD2 3.66Å; A92-L124 HydrophobicContact CB-CG 4.45Å; I96-L124 HydrophobicContact CG1-CD2 3.92Å; I96-L124 HydrophobicContact CG1-CG 4.27Å; Q120-L124 PolarHBondContact O-N 2.85Å; G121-L124 PolarHBondContact O-N 3.22Å; L124-Y127 PolarHBondContact O-N 3.4Å; L124-T128 VanDerWaalsContact O-CB 3.28Å; L124-T128 WeakPolarHBondContact O-CB 3.2Å; L124-T128 PolarHBondContact O-N 3.45Å; L124-T128 PolarHBondContact O-OG1 2.87Å
125	S	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-43.7	178.8	-74.6	0	0	0	0	112.2	L27 L115 G116 G121 G122 A123 A129	L27-S125 VanDerWaalsContact CD1-OG 3.3Å; L27-S125 WeakPolarHBondContact CD1-OG 3.46Å; L115-S125 WeakPolarHBondContact CD2-O 3.5Å; L115-S125 WeakPolarHBondContact CG-OG 3.19Å; G116-S125 PolarHBondContact O-OG 2.84Å; G121-S125 WeakPolarHBondContact O-CB 3.33Å; G121-S125 PolarHBondContact O-N 2.82Å; G121-S125 PolarHBondContact O-OG 2.92Å; G121-S125 VanDerWaalsContact O-OG 3.11Å; G122-S125 PolarHBondContact O-N 3.39Å; A123-S125 VanDerWaalsContact C-N 3.34Å; A123-S125 PolarHBondContact O-N 3.06Å; S125-A129 VanDerWaalsContact O-CB 3.29Å; S125-A129 WeakPolarHBondContact O-CB 3.27Å; S125-A129 PolarHBondContact O-N 3.23Å
126	L	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-52	173.2	-73.5	171.7	0	0	0	111.6	G122 A123 T128 A129 L130 V139 A141 L146 V166 T185 L189	G122-L126 PolarHBondContact O-N 3.23Å; A123-L126 PolarHBondContact O-N 3.47Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 2.72Å; L126-A129 PolarHBondContact O-N 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 VanDerWaalsContact O-CG 3.26Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 2.7Å; L126-V139 HydrophobicContact CD2-CG1 3.86Å; L126-V139 HydrophobicContact CG-CG1 4.44Å; L126-A141 HydrophobicContact CD1-CB 3.94Å; L126-A141 HydrophobicContact CD2-CB 3.9Å; L126-A141 HydrophobicContact CG-CB 3.86Å; L126-L146 HydrophobicContact CB-CD1 4.17Å; L126-V166 HydrophobicContact CD2-CG1 4.26Å; L126-T185 HydrophobicContact CD1-CG2 3.75Å; L126-L189 HydrophobicContact CD2-CD1 3.94Å; L126-L189 HydrophobicContact CD2-CD2 4.11Å
127	Y	98.9	Very high	98.6	Very high	14 Å²	14	18.8 Å²	18.8	6%	0.055	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-44.4	-179.2	-175.6	-93.6	0	0	0	112.2	I89 K90 A123 L124 L130 T131 P147 L148 F152	I89-Y127 HydrophobicContact CG2-CD1 3.77Å; I89-Y127 HydrophobicContact CG2-CD2 4.2Å; I89-Y127 HydrophobicContact CG2-CE1 3.99Å; I89-Y127 HydrophobicContact CG2-CE2 4.41Å; I89-Y127 HydrophobicContact CG2-CG 3.88Å; K90-Y127 HydrophobicContact CG-CE1 4.26Å; K90-Y127 WeakPolarHBondContact CG-OH 3.38Å; A123-Y127 PolarHBondContact O-N 2.97Å; A123-Y127 VanDerWaalsContact O-N 3.07Å; L124-Y127 PolarHBondContact O-N 3.4Å; Y127-L130 PolarHBondContact O-N 3.18Å; Y127-T131 HydrophobicContact CD1-CG2 4.41Å; Y127-T131 HydrophobicContact CD2-CG2 4.37Å; Y127-T131 HydrophobicContact CE1-CG2 4.11Å; Y127-T131 HydrophobicContact CE2-CG2 4.04Å; Y127-T131 WeakPolarHBondContact O-CB 3.37Å; Y127-T131 VanDerWaalsContact O-CG2 3.27Å; Y127-T131 WeakPolarHBondContact O-CG2 3.39Å; Y127-T131 PolarHBondContact O-N 3.09Å; Y127-T131 VanDerWaalsContact O-N 3.07Å; Y127-T131 PolarHBondContact O-OG1 3.22Å; Y127-P147 HydrophobicContact CD2-CG 4.31Å; Y127-P147 HydrophobicContact CG-CG 4.32Å; Y127-L148 HydrophobicContact CD2-CD1 4.47Å; Y127-L148 HydrophobicContact CE2-CB 4.26Å; Y127-L148 HydrophobicContact CE2-CD1 3.75Å; Y127-L148 HydrophobicContact CE2-CG 4.45Å; Y127-F152 HydrophobicContact CD2-CE2 4.04Å; Y127-F152 AromaticContact CD2-CZ 3.87Å; Y127-F152 HydrophobicContact CD2-CZ 3.87Å; Y127-F152 HydrophobicContact CE2-CE2 4.21Å; Y127-F152 HydrophobicContact CE2-CZ 4.07Å
128	T	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-49.2	180	-56.1	0	0	0	0	111.1	S93 I96 K97 I100 L115 L124 L126 L130 T131 T132	S93-T128 WeakPolarHBondContact OG-CA 3.44Å; S93-T128 PolarHBondContact OG-OG1 2.95Å; I96-T128 HydrophobicContact CB-CG2 4.02Å; I96-T128 HydrophobicContact CG2-CG2 3.88Å; K97-T128 HydrophobicContact CG-CG2 3.88Å; I100-T128 HydrophobicContact CD1-CG2 4.45Å; L115-T128 HydrophobicContact CD2-CG2 3.88Å; L124-T128 VanDerWaalsContact O-CB 3.28Å; L124-T128 WeakPolarHBondContact O-CB 3.2Å; L124-T128 PolarHBondContact O-N 3.45Å; L124-T128 PolarHBondContact O-OG1 2.87Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 2.72Å; T128-L130 PolarHBondContact O-N 3.27Å; T128-T131 PolarHBondContact O-N 3.46Å; T128-T131 PolarHBondContact O-OG1 3.04Å; T128-T132 WeakPolarHBondContact O-CB 3.49Å; T128-T132 VanDerWaalsContact O-CG2 3.32Å; T128-T132 WeakPolarHBondContact O-CG2 3.28Å; T128-T132 PolarHBondContact O-N 3.32Å
129	A	98.8	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-40.5	179.7	0	0	0	0	0	112.5	L115 S125 L126 T131 L136 V139 N161 M164	L115-A129 HydrophobicContact CD2-CB 4.49Å; S125-A129 VanDerWaalsContact O-CB 3.29Å; S125-A129 WeakPolarHBondContact O-CB 3.27Å; S125-A129 PolarHBondContact O-N 3.23Å; L126-A129 PolarHBondContact O-N 3.32Å; A129-T131 VanDerWaalsContact C-N 3.3Å; A129-T131 PolarHBondContact O-N 3.11Å; A129-L136 HydrophobicContact CB-CD1 3.75Å; A129-V139 HydrophobicContact CB-CG2 3.37Å; A129-N161 WeakPolarHBondContact O-CB 3.35Å; A129-N161 PolarHBondContact O-ND2 3Å; A129-M164 HydrophobicContact CB-CE 4.05Å; A129-M164 HydrophobicContact CB-SD 3.73Å
130	L	98.6	Very high	98.6	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-72.5	-20	179.2	-70.9	168.2	0	0	0	113.6	L126 Y127 T128 L146 F152 S156 S159 M164 L189 L192	L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 VanDerWaalsContact O-CG 3.26Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 2.7Å; Y127-L130 PolarHBondContact O-N 3.18Å; T128-L130 PolarHBondContact O-N 3.27Å; L130-L146 HydrophobicContact CD1-CD1 3.46Å; L130-L146 VanDerWaalsContact CD1-CD1 3.46Å; L130-L146 HydrophobicContact CD1-CD2 4.42Å; L130-F152 HydrophobicContact CB-CE1 3.77Å; L130-F152 HydrophobicContact CB-CZ 4.17Å; L130-F152 HydrophobicContact CD1-CE1 4.16Å; L130-F152 HydrophobicContact CD1-CZ 4.27Å; L130-S156 WeakPolarHBondContact O-CA 3.49Å; L130-S156 WeakPolarHBondContact O-CB 3.43Å; L130-S159 WeakPolarHBondContact O-CB 3.33Å; L130-S159 PolarHBondContact O-OG 2.99Å; L130-M164 HydrophobicContact CD2-CE 4.12Å; L130-M164 HydrophobicContact CG-CE 4.47Å; L130-L189 HydrophobicContact CD1-CD2 3.83Å; L130-L189 HydrophobicContact CD2-CD2 4.41Å; L130-L192 HydrophobicContact CD1-CD1 4.21Å; L130-L192 HydrophobicContact CD2-CB 4.42Å
131	T	98.5	Very high	98.6	Very high	24 Å²	24	17.5 Å²	17.5	15%	0.147	8%	0.084	C	C	.	.	H	α-helix	trans	-111	-7.9	-176.2	60.8	0	0	0	0	114.2	Y127 T128 A129 F152 A155	Y127-T131 HydrophobicContact CD1-CG2 4.41Å; Y127-T131 HydrophobicContact CD2-CG2 4.37Å; Y127-T131 HydrophobicContact CE1-CG2 4.11Å; Y127-T131 HydrophobicContact CE2-CG2 4.04Å; Y127-T131 WeakPolarHBondContact O-CB 3.37Å; Y127-T131 VanDerWaalsContact O-CG2 3.27Å; Y127-T131 WeakPolarHBondContact O-CG2 3.39Å; Y127-T131 PolarHBondContact O-N 3.09Å; Y127-T131 VanDerWaalsContact O-N 3.07Å; Y127-T131 PolarHBondContact O-OG1 3.22Å; T128-T131 PolarHBondContact O-N 3.46Å; T128-T131 PolarHBondContact O-OG1 3.04Å; A129-T131 VanDerWaalsContact C-N 3.3Å; A129-T131 PolarHBondContact O-N 3.11Å; T131-F152 HydrophobicContact CG2-CE1 4.2Å; T131-F152 HydrophobicContact CG2-CZ 4.09Å; T131-A155 HydrophobicContact CG2-CB 4.36Å
132	T	98.3	Very high	98.6	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.031	8%	0.084	C	C	.	.			trans	-82.9	147.1	177.3	-171.2	0	0	0	0	112.6	T128 Q134 L136 S159 A160 N161	T128-T132 WeakPolarHBondContact O-CB 3.49Å; T128-T132 VanDerWaalsContact O-CG2 3.32Å; T128-T132 WeakPolarHBondContact O-CG2 3.28Å; T128-T132 PolarHBondContact O-N 3.32Å; T132-Q134 VanDerWaalsContact C-N 3.27Å; T132-Q134 HydrophobicContact CG2-CB 4.36Å; T132-Q134 WeakPolarHBondContact CG2-O 2.97Å; T132-Q134 PolarHBondContact OG1-N 3.49Å; T132-Q134 VanDerWaalsContact OG1-N 3.15Å; T132-L136 HydrophobicContact CG2-CD1 4.37Å; T132-L136 HydrophobicContact CG2-CG 4.49Å; T132-S159 WeakPolarHBondContact O-CA 3.48Å; T132-A160 PolarHBondContact O-N 2.97Å; T132-N161 WeakPolarHBondContact CG2-ND2 3.37Å
133	Q	97.6	Very high	98.6	Very high	143 Å²	143	17.5 Å²	17.5	67%	0.668	8%	0.084	S	C	*	.	S	Bend	trans	-83.4	-5.5	169.3	-64.9	-170.8	2.6	0	0	112.5	N158 A160	Q133-N158 WeakPolarHBondContact CG-O 3.29Å; Q133-A160 WeakPolarHBondContact O-CB 3.34Å
134	Q	97.6	Very high	98.6	Very high	35 Å²	35	17.5 Å²	17.5	16%	0.164	8%	0.084	C	C	.	.	S	Bend	trans	-82.5	118.4	176.3	-60.3	-174	63.3	0	0	109.4	I100 D101 T132 L136 N161	I100-Q134 VanDerWaalsContact CG2-OE1 3.24Å; D101-Q134 PolarHBondContact OD1-NE2 3.02Å; D101-Q134 PolarHBondContact OD1-OE1 2.88Å; T132-Q134 VanDerWaalsContact C-N 3.27Å; T132-Q134 HydrophobicContact CG2-CB 4.36Å; T132-Q134 WeakPolarHBondContact CG2-O 2.97Å; T132-Q134 PolarHBondContact OG1-N 3.49Å; T132-Q134 VanDerWaalsContact OG1-N 3.15Å; Q134-L136 PolarHBondContact O-N 3.27Å; Q134-N161 PolarHBondContact O-ND2 3.17Å
135	K	98.2	Very high	98.6	Very high	125 Å²	125	19 Å²	19	54%	0.543	9%	0.09	S	C	.	.	P	Polyproline II helix	trans	-65.6	121.1	174.4	-174.8	176.5	-177.4	176.7	0	109.3	S110 H111 A160 N161	S110-K135 CarbonylContact C-O 3.49Å; S110-K135 VanDerWaalsContact CB-O 3.24Å; S110-K135 WeakPolarHBondContact CB-O 3.14Å; S110-K135 PolarHBondContact OG-O 3.39Å; H111-K135 VanDerWaalsContact CA-O 3.28Å; H111-K135 WeakPolarHBondContact CA-O 3.36Å; H111-K135 HydrophobicContact CB-CG 4.45Å; H111-K135 PolarHBondContact N-O 2.97Å; K135-A160 HydrophobicContact CB-CB 4.24Å; K135-N161 WeakPolarHBondContact CA-OD1 3.39Å
136	L	98.7	Very high	98.6	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.031	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-97.3	160.4	178.8	-61.3	-178.8	0	0	0	111.4	I100 S110 L115 A129 T132 Q134 G138 N161	I100-L136 HydrophobicContact CD1-CD2 4.17Å; I100-L136 HydrophobicContact CG2-CD2 4.17Å; S110-L136 WeakPolarHBondContact O-CA 3.24Å; L115-L136 HydrophobicContact CB-CD1 3.99Å; L115-L136 HydrophobicContact CD2-CD1 4.29Å; A129-L136 HydrophobicContact CB-CD1 3.75Å; T132-L136 HydrophobicContact CG2-CD1 4.37Å; T132-L136 HydrophobicContact CG2-CG 4.49Å; Q134-L136 PolarHBondContact O-N 3.27Å; L136-G138 VanDerWaalsContact C-N 3.32Å; L136-N161 PolarHBondContact N-OD1 2.91Å
137	G	98.4	Very high	98.5	Very high	10 Å²	10	19.1 Å²	19.1	10%	0.103	9%	0.091	C	C	.	.	S	Bend	trans	-73.6	-23.8	174.7	0	0	0	0	0	113.2	H111 I113	H111-G137 VanDerWaalsContact O-CA 3.24Å; H111-G137 WeakPolarHBondContact O-CA 3.19Å; I113-G137 PolarHBondContact O-N 3.06Å
138	G	98.7	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	177.6	176.8	0	0	0	0	0	112.4	V114 L115 L136 H165	V114-G138 WeakPolarHBondContact CA-O 3.47Å; L115-G138 PolarHBondContact N-O 2.97Å; L136-G138 VanDerWaalsContact C-N 3.32Å; G138-H165 CarbonylContact C-O 3.58Å; G138-H165 WeakPolarHBondContact CA-O 3.32Å
139	V	98.9	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.7	173.7	170.9	0	0	0	0	112.7	L115 L126 A129 A141 M164 H165 V166 L167 F221	L115-V139 HydrophobicContact CB-CG2 4.47Å; L115-V139 WeakPolarHBondContact O-CA 3.46Å; L126-V139 HydrophobicContact CD2-CG1 3.86Å; L126-V139 HydrophobicContact CG-CG1 4.44Å; A129-V139 HydrophobicContact CB-CG2 3.37Å; V139-A141 HydrophobicContact CG1-CB 4.23Å; V139-M164 HydrophobicContact CB-SD 4.07Å; V139-M164 HydrophobicContact CG2-CE 4.16Å; V139-M164 HydrophobicContact CG2-SD 3.35Å; V139-M164 WeakPolarHBondContact CG2-SD 3.16Å; V139-H165 PolarHBondContact N-O 3.4Å; V139-V166 HydrophobicContact CB-CG1 4.31Å; V139-V166 HydrophobicContact CB-CG2 4.31Å; V139-V166 HydrophobicContact CG1-CG1 4.33Å; V139-V166 CarbonylContact O-C 3.57Å; V139-V166 WeakPolarHBondContact O-CA 3.34Å; V139-L167 PolarHBondContact O-N 2.92Å; V139-F221 WeakPolarHBondContact O-CZ 3.18Å
140	V	98.9	Very high	98.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	109.8	169.3	176.8	0	0	0	0	109.1	F26 V114 L115 G116 G117 L142 L167 I218 F221	F26-V140 HydrophobicContact CE2-CG1 4.5Å; V114-V140 HydrophobicContact CG1-CG2 3.95Å; L115-V140 PolarHBondContact O-N 2.71Å; L115-V140 VanDerWaalsContact O-N 3.08Å; G116-V140 CarbonylContact C-O 3.58Å; G116-V140 WeakPolarHBondContact CA-O 3.49Å; G117-V140 PolarHBondContact N-O 3.36Å; V140-L142 HydrophobicContact CG1-CD2 3.54Å; V140-L142 HydrophobicContact CG1-CG 4.05Å; V140-L167 CarbonylContact C-O 3.55Å; V140-L167 WeakPolarHBondContact CA-O 3.38Å; V140-I218 HydrophobicContact CG1-CD1 4.26Å; V140-I218 HydrophobicContact CG1-CG1 3.87Å; V140-I218 HydrophobicContact CG1-CG2 4.26Å; V140-F221 HydrophobicContact CG2-CD1 3.54Å; V140-F221 HydrophobicContact CG2-CE1 3.7Å
141	A	98.9	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.4	-173.1	0	0	0	0	0	110.4	L126 V139 L167 Q168 C169	L126-A141 HydrophobicContact CD1-CB 3.94Å; L126-A141 HydrophobicContact CD2-CB 3.9Å; L126-A141 HydrophobicContact CG-CB 3.86Å; V139-A141 HydrophobicContact CG1-CB 4.23Å; A141-L167 PolarHBondContact N-O 3Å; A141-Q168 HydrophobicContact CB-CB 4.46Å; A141-Q168 HydrophobicContact CB-CG 4.28Å; A141-Q168 CarbonylContact O-C 3.34Å; A141-Q168 VanDerWaalsContact O-CA 3.3Å; A141-Q168 WeakPolarHBondContact O-CA 3.07Å; A141-C169 PolarHBondContact O-N 2.81Å
142	L	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.1	-173.4	-46.4	-175.1	0	0	0	111.4	F26 W37 G117 F118 S119 V140 C144 C169 E214 I218	F26-L142 HydrophobicContact CE2-CD1 3.95Å; F26-L142 HydrophobicContact CE2-CG 4.34Å; F26-L142 HydrophobicContact CZ-CD1 3.65Å; F26-L142 HydrophobicContact CZ-CG 4.22Å; W37-L142 HydrophobicContact CH2-CD1 3.71Å; W37-L142 HydrophobicContact CZ3-CD1 3.77Å; G117-L142 PolarHBondContact O-N 2.86Å; F118-L142 CarbonylContact C-O 3.49Å; F118-L142 WeakPolarHBondContact CA-O 3.37Å; F118-L142 HydrophobicContact CB-CB 4.44Å; F118-L142 HydrophobicContact CD2-CB 3.97Å; S119-L142 PolarHBondContact N-O 3.04Å; V140-L142 HydrophobicContact CG1-CD2 3.54Å; V140-L142 HydrophobicContact CG1-CG 4.05Å; L142-C144 VanDerWaalsContact C-N 3.26Å; L142-C144 WeakPolarHBondContact O-CB 3.35Å; L142-C144 PolarHBondContact O-N 3.18Å; L142-C144 VanDerWaalsContact O-N 3.15Å; L142-C169 HydrophobicContact CD2-CB 3.63Å; L142-E214 HydrophobicContact CD2-CG 4.43Å; L142-I218 HydrophobicContact CD1-CD1 3.59Å; L142-I218 HydrophobicContact CD2-CD1 3.75Å; L142-I218 HydrophobicContact CD2-CG1 4.14Å; L142-I218 HydrophobicContact CG-CD1 4.3Å
143	S	98.8	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	44.8	48.6	172.8	-59.1	0	0	0	0	113.2	S119 C169	S119-S143 WeakPolarHBondContact CA-O 3.32Å; S143-C169 PolarHBondContact N-O 3.1Å
144	C	98.6	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.			trans	-133.6	-172.1	-170.4	73.4	0	0	0	0	112.9	S119 G122 L142	S119-C144 WeakPolarHBondContact O-CB 3.4Å; G122-C144 VanDerWaalsContact C-SG 3.58Å; L142-C144 VanDerWaalsContact C-N 3.26Å; L142-C144 WeakPolarHBondContact O-CB 3.35Å; L142-C144 PolarHBondContact O-N 3.18Å; L142-C144 VanDerWaalsContact O-N 3.15Å
145	W	98.5	Very high	98	Very high	31 Å²	31	34.2 Å²	34.2	12%	0.117	18%	0.178	C	C	.	.			trans	-133.9	163.9	176.9	67	102.8	0	0	0	111.1	F73 I75 E84 Q120 A123 P147 V177 F181 T185	F73-W145 HydrophobicContact CE2-CZ2 4.42Å; F73-W145 HydrophobicContact CZ-CZ2 4.37Å; I75-W145 HydrophobicContact CD1-CH2 4.35Å; E84-W145 PolarHBondContact OE1-NE1 3.07Å; Q120-W145 HydrophobicContact CB-CH2 4.43Å; A123-W145 WeakPolarHBondContact CA-O 3.48Å; A123-W145 HydrophobicContact CB-CD2 3.96Å; A123-W145 HydrophobicContact CB-CE3 4.28Å; A123-W145 HydrophobicContact CB-CG 4.41Å; A123-W145 HydrophobicContact CB-CH2 4.44Å; A123-W145 HydrophobicContact CB-CZ2 4.14Å; A123-W145 WeakPolarHBondContact CB-O 3.38Å; W145-P147 WeakPolarHBondContact O-CD 3.4Å; W145-V177 HydrophobicContact CE3-CG1 4.28Å; W145-V177 HydrophobicContact CE3-CG2 4.41Å; W145-V177 HydrophobicContact CZ3-CG2 4.21Å; W145-F181 HydrophobicContact CB-CB 4.35Å; W145-T185 VanDerWaalsContact CA-OG1 3.31Å; W145-T185 WeakPolarHBondContact CA-OG1 3.5Å
146	L	98.4	Very high	97.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.159	C	C	.	.			trans	-82.9	112.8	164.8	176.1	66.3	0	0	0	109.5	L126 L130 R149 F152 T185 K188 L192	L126-L146 HydrophobicContact CB-CD1 4.17Å; L130-L146 HydrophobicContact CD1-CD1 3.46Å; L130-L146 VanDerWaalsContact CD1-CD1 3.46Å; L130-L146 HydrophobicContact CD1-CD2 4.42Å; L146-R149 HydrophobicContact CD2-CB 4.34Å; L146-R149 HydrophobicContact CG-CB 4.41Å; L146-F152 HydrophobicContact CD1-CE2 3.95Å; L146-F152 HydrophobicContact CD1-CZ 4.22Å; L146-F152 HydrophobicContact CD2-CD2 4.05Å; L146-F152 HydrophobicContact CD2-CE2 4.26Å; L146-F152 HydrophobicContact CG-CD2 4.44Å; L146-F152 HydrophobicContact CG-CE2 4.22Å; L146-T185 HydrophobicContact CB-CG2 3.91Å; L146-T185 PolarHBondContact N-OG1 3.46Å; L146-K188 HydrophobicContact CD2-CB 4.32Å; L146-K188 HydrophobicContact CD2-CG 3.66Å; L146-L192 HydrophobicContact CD2-CD1 4.11Å
147	P	98.1	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	155.7	178.8	34.2	-35.7	0	0	0	110.6	E84 I89 A123 Y127 W145 R149	E84-P147 VanDerWaalsContact OE1-CA 3.24Å; E84-P147 WeakPolarHBondContact OE1-CA 3.46Å; E84-P147 WeakPolarHBondContact OE1-CB 3.44Å; I89-P147 HydrophobicContact CD1-CB 3.98Å; I89-P147 HydrophobicContact CG2-CG 4.33Å; A123-P147 HydrophobicContact CB-CG 4.16Å; A123-P147 VanDerWaalsContact O-CD 3.22Å; A123-P147 WeakPolarHBondContact O-CD 3.1Å; A123-P147 WeakPolarHBondContact O-CG 3.37Å; Y127-P147 HydrophobicContact CD2-CG 4.31Å; Y127-P147 HydrophobicContact CG-CG 4.32Å; W145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-R149 PolarHBondContact O-N 3.33Å; P147-R149 VanDerWaalsContact O-N 3.17Å
148	L	97.6	Very high	97.3	Very high	19 Å²	19	43.3 Å²	43.3	10%	0.099	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	34.5	-177.3	-51.8	176	0	0	0	112.1	E84 E86 I89 Y127 N150 S151	E84-L148 HydrophobicContact CB-CD2 3.92Å; E84-L148 WeakPolarHBondContact OE2-CA 3.43Å; E84-L148 PolarHBondContact OE2-N 2.96Å; E86-L148 HydrophobicContact CB-CD1 4.17Å; E86-L148 HydrophobicContact CB-CD2 3.84Å; E86-L148 HydrophobicContact CG-CD1 3.8Å; E86-L148 HydrophobicContact CG-CD2 4.22Å; I89-L148 HydrophobicContact CB-CD1 4.35Å; I89-L148 HydrophobicContact CD1-CD1 4.37Å; I89-L148 HydrophobicContact CD1-CD2 4.16Å; I89-L148 HydrophobicContact CD1-CG 4.03Å; I89-L148 HydrophobicContact CG2-CD1 4.05Å; Y127-L148 HydrophobicContact CD2-CD1 4.47Å; Y127-L148 HydrophobicContact CE2-CB 4.26Å; Y127-L148 HydrophobicContact CE2-CD1 3.75Å; Y127-L148 HydrophobicContact CE2-CG 4.45Å; L148-N150 PolarHBondContact O-N 3.2Å; L148-S151 WeakPolarHBondContact O-CB 3.21Å; L148-S151 PolarHBondContact O-N 2.87Å; L148-S151 PolarHBondContact O-OG 3.15Å
149	R	96.4	Very high	97.1	Very high	89 Å²	89	44.5 Å²	44.5	34%	0.336	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-51.4	-31.5	-171.1	67.3	-178.9	-174.4	-88	-0.1	114.2	T80 L146 P147 S151 F152	T80-R149 PolarHBondContact O-NH1 2.84Å; T80-R149 PolarHBondContact O-NH2 3.46Å; L146-R149 HydrophobicContact CD2-CB 4.34Å; L146-R149 HydrophobicContact CG-CB 4.41Å; P147-R149 PolarHBondContact O-N 3.33Å; P147-R149 VanDerWaalsContact O-N 3.17Å; R149-S151 VanDerWaalsContact C-N 3.29Å; R149-S151 PolarHBondContact O-N 2.9Å; R149-F152 PolarHBondContact O-N 2.94Å
150	N	96	Very high	96.9	Very high	139 Å²	139	46.1 Å²	46.1	74%	0.743	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-74.8	-17.8	-178.8	-66.4	-21.2	0	0	0	113	L148 F152	L148-N150 PolarHBondContact O-N 3.2Å; N150-F152 PolarHBondContact O-N 2.77Å
151	S	97.3	Very high	96.8	Very high	42 Å²	42	46.1 Å²	46.1	29%	0.294	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-74.6	-13.4	173.9	72.4	0	0	0	0	113.1	L148 R149 Q154 A155	L148-S151 WeakPolarHBondContact O-CB 3.21Å; L148-S151 PolarHBondContact O-N 2.87Å; L148-S151 PolarHBondContact O-OG 3.15Å; R149-S151 VanDerWaalsContact C-N 3.29Å; R149-S151 PolarHBondContact O-N 2.9Å; S151-Q154 PolarHBondContact O-N 2.91Å; S151-Q154 VanDerWaalsContact O-N 3.15Å; S151-A155 PolarHBondContact O-N 3.43Å; S151-A155 WeakPolarHBondContact OG-CB 3.45Å
152	F	97.6	Very high	96.5	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	136.1	179.2	-67.4	-88	0	0	0	111.6	Y127 L130 T131 L146 R149 N150 A155 K188 L192	Y127-F152 HydrophobicContact CD2-CE2 4.04Å; Y127-F152 AromaticContact CD2-CZ 3.87Å; Y127-F152 HydrophobicContact CD2-CZ 3.87Å; Y127-F152 HydrophobicContact CE2-CE2 4.21Å; Y127-F152 HydrophobicContact CE2-CZ 4.07Å; L130-F152 HydrophobicContact CB-CE1 3.77Å; L130-F152 HydrophobicContact CB-CZ 4.17Å; L130-F152 HydrophobicContact CD1-CE1 4.16Å; L130-F152 HydrophobicContact CD1-CZ 4.27Å; T131-F152 HydrophobicContact CG2-CE1 4.2Å; T131-F152 HydrophobicContact CG2-CZ 4.09Å; L146-F152 HydrophobicContact CD1-CE2 3.95Å; L146-F152 HydrophobicContact CD1-CZ 4.22Å; L146-F152 HydrophobicContact CD2-CD2 4.05Å; L146-F152 HydrophobicContact CD2-CE2 4.26Å; L146-F152 HydrophobicContact CG-CD2 4.44Å; L146-F152 HydrophobicContact CG-CE2 4.22Å; R149-F152 PolarHBondContact O-N 2.94Å; N150-F152 PolarHBondContact O-N 2.77Å; F152-A155 HydrophobicContact CD1-CB 4Å; F152-A155 HydrophobicContact CD2-CB 4.48Å; F152-A155 HydrophobicContact CE1-CB 3.84Å; F152-A155 HydrophobicContact CE2-CB 4.36Å; F152-A155 HydrophobicContact CG-CB 4.32Å; F152-A155 HydrophobicContact CZ-CB 4.03Å; F152-K188 PolarHBondContact O-NZ 2.89Å; F152-L192 HydrophobicContact CB-CD1 3.87Å; F152-L192 HydrophobicContact CB-CD2 3.91Å; F152-L192 HydrophobicContact CD1-CD1 3.79Å; F152-L192 HydrophobicContact CD1-CD2 4.41Å; F152-L192 HydrophobicContact CG-CD1 3.89Å
153	P	96.9	Very high	96.4	Very high	78 Å²	78	55 Å²	55	51%	0.506	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.2	-3	22.6	34.9	-37.4	0	0	0	115.8	A155 S156 R157 L192	P153-A155 VanDerWaalsContact C-N 3.33Å; P153-A155 PolarHBondContact O-N 2.79Å; P153-S156 PolarHBondContact O-N 3.22Å; P153-S156 VanDerWaalsContact O-N 3.13Å; P153-S156 PolarHBondContact O-OG 3.38Å; P153-R157 PolarHBondContact O-N 2.97Å; P153-L192 HydrophobicContact CB-CD2 3.82Å
154	Q	97.7	Very high	96.2	Very high	134 Å²	134	55.3 Å²	55.3	63%	0.626	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-63.5	-38.7	-173.8	-62.9	-58.9	-22	0	0	112.6	S151 S156 R157	S151-Q154 PolarHBondContact O-N 2.91Å; S151-Q154 VanDerWaalsContact O-N 3.15Å; Q154-S156 PolarHBondContact O-N 2.99Å; Q154-R157 VanDerWaalsContact O-CB 3.3Å; Q154-R157 WeakPolarHBondContact O-CB 3.22Å; Q154-R157 PolarHBondContact O-N 2.99Å
155	A	96	Very high	96.2	Very high	34 Å²	34	58 Å²	58	28%	0.281	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.3	-30	176.2	0	0	0	0	0	113.7	T131 S151 F152 P153	T131-A155 HydrophobicContact CG2-CB 4.36Å; S151-A155 PolarHBondContact O-N 3.43Å; S151-A155 WeakPolarHBondContact OG-CB 3.45Å; F152-A155 HydrophobicContact CD1-CB 4Å; F152-A155 HydrophobicContact CD2-CB 4.48Å; F152-A155 HydrophobicContact CE1-CB 3.84Å; F152-A155 HydrophobicContact CE2-CB 4.36Å; F152-A155 HydrophobicContact CG-CB 4.32Å; F152-A155 HydrophobicContact CZ-CB 4.03Å; P153-A155 VanDerWaalsContact C-N 3.33Å; P153-A155 PolarHBondContact O-N 2.79Å
156	S	95.6	Very high	96.3	Very high	21 Å²	21	56.5 Å²	56.5	15%	0.147	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-96.3	8.8	179.2	57.9	0	0	0	0	114	L130 P153 Q154 N158 S159	L130-S156 WeakPolarHBondContact O-CA 3.49Å; L130-S156 WeakPolarHBondContact O-CB 3.43Å; P153-S156 PolarHBondContact O-N 3.22Å; P153-S156 VanDerWaalsContact O-N 3.13Å; P153-S156 PolarHBondContact O-OG 3.38Å; Q154-S156 PolarHBondContact O-N 2.99Å; S156-N158 PolarHBondContact O-N 3.01Å; S156-N158 VanDerWaalsContact O-N 3.13Å; S156-S159 WeakPolarHBondContact O-CB 3.26Å; S156-S159 PolarHBondContact O-N 2.86Å
157	R	93.6	Very high	96.3	Very high	195 Å²	195	56.5 Å²	56.5	74%	0.736	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.5	-173	-176.5	175.8	-178.9	176.6	-0	114	P153 Q154	P153-R157 PolarHBondContact O-N 2.97Å; Q154-R157 VanDerWaalsContact O-CB 3.3Å; Q154-R157 WeakPolarHBondContact O-CB 3.22Å; Q154-R157 PolarHBondContact O-N 2.99Å
158	N	92.3	Very high	96.3	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	11.3	-179.8	-61.1	-31.7	0	0	0	112.6	Q133 S156	Q133-N158 WeakPolarHBondContact CG-O 3.29Å; S156-N158 PolarHBondContact O-N 3.01Å; S156-N158 VanDerWaalsContact O-N 3.13Å
159	S	94.5	Very high	96.4	Very high	25 Å²	25	55.6 Å²	55.6	18%	0.175	29%	0.287	C	S	.	.			trans	-66.4	141.1	-177	-168.9	0	0	0	0	112.2	L130 T132 S156 N161	L130-S159 WeakPolarHBondContact O-CB 3.33Å; L130-S159 PolarHBondContact O-OG 2.99Å; T132-S159 WeakPolarHBondContact O-CA 3.48Å; S156-S159 WeakPolarHBondContact O-CB 3.26Å; S156-S159 PolarHBondContact O-N 2.86Å; S159-N161 VanDerWaalsContact C-N 3.28Å; S159-N161 PolarHBondContact OG-N 2.84Å
160	A	95.3	Very high	96.5	Very high	35 Å²	35	51.4 Å²	51.4	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	-88.4	5.6	169.4	0	0	0	0	0	113.3	T132 Q133 K135	T132-A160 PolarHBondContact O-N 2.97Å; Q133-A160 WeakPolarHBondContact O-CB 3.34Å; K135-A160 HydrophobicContact CB-CB 4.24Å
161	N	96.5	Very high	96.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.011	24%	0.236	C	C	.	.			trans	-115.4	27	-166	-67.5	-58.3	0	0	0	113.7	A129 T132 Q134 K135 L136 S159 E163 M164 C193	A129-N161 WeakPolarHBondContact O-CB 3.35Å; A129-N161 PolarHBondContact O-ND2 3Å; T132-N161 WeakPolarHBondContact CG2-ND2 3.37Å; Q134-N161 PolarHBondContact O-ND2 3.17Å; K135-N161 WeakPolarHBondContact CA-OD1 3.39Å; L136-N161 PolarHBondContact N-OD1 2.91Å; S159-N161 VanDerWaalsContact C-N 3.28Å; S159-N161 PolarHBondContact OG-N 2.84Å; N161-E163 PolarHBondContact O-N 2.97Å; N161-M164 HydrophobicContact CB-CB 3.88Å; N161-M164 HydrophobicContact CB-CE 4.34Å; N161-M164 HydrophobicContact CB-SD 4.15Å; N161-M164 WeakPolarHBondContact O-CB 3.16Å; N161-M164 PolarHBondContact O-N 3.07Å; N161-C193 PolarHBondContact O-SG 3.03Å
162	N	92.9	Very high	96.7	Very high	91 Å²	91	47.2 Å²	47.2	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.2	173.3	65.4	-33.2	0	0	0	113	C193 N194	N162-C193 CarbonylContact O-C 3.55Å; N162-C193 WeakPolarHBondContact O-CA 3.24Å; N162-C193 WeakPolarHBondContact O-CB 3.33Å; N162-N194 PolarHBondContact O-N 3.13Å
163	E	95.6	Very high	96.7	Very high	95 Å²	95	49.3 Å²	49.3	44%	0.444	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.9	175.3	-64.3	-58	134.5	0	0	113.4	N161 N194 N197	N161-E163 PolarHBondContact O-N 2.97Å; E163-N194 WeakPolarHBondContact OE2-CB 3.29Å; E163-N194 PolarHBondContact OE2-ND2 3.36Å; E163-N197 PolarHBondContact O-ND2 2.62Å
164	M	95.9	Very high	96.8	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.034	24%	0.24	C	C	.	.			trans	-61.9	141.4	-178.6	168.6	176.4	65.1	0	0	112.5	A129 L130 V139 N161 V166 N197	A129-M164 HydrophobicContact CB-CE 4.05Å; A129-M164 HydrophobicContact CB-SD 3.73Å; L130-M164 HydrophobicContact CD2-CE 4.12Å; L130-M164 HydrophobicContact CG-CE 4.47Å; V139-M164 HydrophobicContact CB-SD 4.07Å; V139-M164 HydrophobicContact CG2-CE 4.16Å; V139-M164 HydrophobicContact CG2-SD 3.35Å; V139-M164 WeakPolarHBondContact CG2-SD 3.16Å; N161-M164 HydrophobicContact CB-CB 3.88Å; N161-M164 HydrophobicContact CB-CE 4.34Å; N161-M164 HydrophobicContact CB-SD 4.15Å; N161-M164 WeakPolarHBondContact O-CB 3.16Å; N161-M164 PolarHBondContact O-N 3.07Å; M164-V166 HydrophobicContact CE-CG2 3.76Å; M164-V166 HydrophobicContact CG-CG2 4.09Å; M164-V166 HydrophobicContact SD-CG2 4.35Å; M164-N197 WeakPolarHBondContact O-CB 3.41Å
165	H	98.7	Very high	96.7	Very high	56 Å²	56	44.6 Å²	44.6	26%	0.259	24%	0.242	S	C	.	.			trans	-82	134.7	167	-68.1	-79.1	0	0	0	111.3	G138 V139 N197 F221 Q225	G138-H165 CarbonylContact C-O 3.58Å; G138-H165 WeakPolarHBondContact CA-O 3.32Å; V139-H165 PolarHBondContact N-O 3.4Å; H165-N197 WeakPolarHBondContact CA-O 3.34Å; H165-N197 PolarHBondContact CE1-OD1 3.42Å; H165-N197 WeakPolarHBondContact ND1-CB 3.27Å; H165-F221 HydrophobicContact CB-CE2 3.9Å; H165-F221 HydrophobicContact CB-CZ 3.98Å; H165-Q225 HydrophobicContact CB-CG 4.28Å; H165-Q225 PolarHBondContact CD2-OE1 2.9Å; H165-Q225 VanDerWaalsContact CG-NE2 3.34Å
166	V	98.9	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.1	177	-173.8	0	0	0	0	109.5	L126 V139 M164 L189 N197 I198 I199	L126-V166 HydrophobicContact CD2-CG1 4.26Å; V139-V166 HydrophobicContact CB-CG1 4.31Å; V139-V166 HydrophobicContact CB-CG2 4.31Å; V139-V166 HydrophobicContact CG1-CG1 4.33Å; V139-V166 CarbonylContact O-C 3.57Å; V139-V166 WeakPolarHBondContact O-CA 3.34Å; M164-V166 HydrophobicContact CE-CG2 3.76Å; M164-V166 HydrophobicContact CG-CG2 4.09Å; M164-V166 HydrophobicContact SD-CG2 4.35Å; V166-L189 HydrophobicContact CG1-CD1 4.15Å; V166-N197 PolarHBondContact N-O 2.95Å; V166-I198 HydrophobicContact CB-CD1 3.67Å; V166-I198 HydrophobicContact CG2-CD1 3.54Å; V166-I199 PolarHBondContact O-N 3.21Å
167	L	98.9	Very high	96.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113	160.3	174.8	64.8	0	0	0	107.8	V139 V140 A141 I199 K201 D217 I218 F221	V139-L167 PolarHBondContact O-N 2.92Å; V140-L167 CarbonylContact C-O 3.55Å; V140-L167 WeakPolarHBondContact CA-O 3.38Å; A141-L167 PolarHBondContact N-O 3Å; L167-I199 HydrophobicContact CD1-CB 4.22Å; L167-I199 HydrophobicContact CD1-CG2 3.92Å; L167-K201 HydrophobicContact CD1-CD 4.38Å; L167-K201 HydrophobicContact CD1-CG 4.38Å; L167-D217 HydrophobicContact CD2-CB 4.5Å; L167-I218 HydrophobicContact CD2-CG1 4.15Å; L167-F221 HydrophobicContact CB-CB 4.31Å; L167-F221 HydrophobicContact CB-CD1 4.25Å; L167-F221 HydrophobicContact CB-CD2 3.63Å; L167-F221 HydrophobicContact CB-CE2 3.9Å; L167-F221 HydrophobicContact CB-CG 3.8Å; L167-F221 HydrophobicContact CB-CZ 4.34Å; L167-F221 HydrophobicContact CD2-CB 3.79Å; L167-F221 HydrophobicContact CD2-CG 4.18Å
168	Q	98.9	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.1	170.6	-172	-176.9	-20.6	0	0	109.3	A141 G182 I199 F200 K201	A141-Q168 HydrophobicContact CB-CB 4.46Å; A141-Q168 HydrophobicContact CB-CG 4.28Å; A141-Q168 CarbonylContact O-C 3.34Å; A141-Q168 VanDerWaalsContact O-CA 3.3Å; A141-Q168 WeakPolarHBondContact O-CA 3.07Å; Q168-G182 PolarHBondContact NE2-O 3.32Å; Q168-I199 PolarHBondContact N-O 2.87Å; Q168-F200 HydrophobicContact CB-CD2 3.94Å; Q168-F200 HydrophobicContact CG-CD2 3.8Å; Q168-F200 HydrophobicContact CG-CE2 4.1Å; Q168-F200 CarbonylContact O-C 3.56Å; Q168-F200 VanDerWaalsContact O-CA 3.31Å; Q168-F200 WeakPolarHBondContact O-CA 3.21Å; Q168-K201 PolarHBondContact O-N 3.26Å
169	C	98.9	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.2	-176.9	-71.7	0	0	0	0	110.3	A141 L142 S143 K201 Y203 E214	A141-C169 PolarHBondContact O-N 2.81Å; L142-C169 HydrophobicContact CD2-CB 3.63Å; S143-C169 PolarHBondContact N-O 3.1Å; C169-K201 CarbonylContact C-O 2.97Å; C169-K201 VanDerWaalsContact CA-O 3.28Å; C169-K201 WeakPolarHBondContact CA-O 3.17Å; C169-Y203 HydrophobicContact CB-CE2 3.81Å; C169-Y203 PolarHBondContact SG-OH 3.43Å; C169-E214 HydrophobicContact CB-CG 3.95Å; C169-E214 WeakPolarHBondContact CB-OE1 3.34Å
170	H	98.9	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	140.1	-178.3	-139.8	110	0	0	0	112.9	D174 V177 V179 F200 K201 T202 Y203	H170-D174 IonicContact NE2-OD2 2.8Å; H170-V177 PolarHBondContact NE2-O 3.19Å; H170-V179 HydrophobicContact CB-CG2 4.26Å; H170-F200 HydrophobicContact CB-CE2 3.91Å; H170-F200 HydrophobicContact CB-CZ 4.14Å; H170-K201 PolarHBondContact N-O 3.07Å; H170-T202 CarbonylContact O-C 3.57Å; H170-T202 VanDerWaalsContact O-CA 3.23Å; H170-T202 WeakPolarHBondContact O-CA 3.46Å; H170-Y203 PolarHBondContact O-N 3.36Å
171	G	98.8	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.9	170.1	0	0	0	0	0	112.4	A173 D174 M206	G171-A173 PolarHBondContact O-N 3.41Å; G171-D174 VanDerWaalsContact O-CB 3.3Å; G171-D174 WeakPolarHBondContact O-CB 3.09Å; G171-D174 PolarHBondContact O-N 2.98Å; G171-M206 CarbonylContact C-O 3.58Å; G171-M206 WeakPolarHBondContact CA-O 3.13Å
172	E	98.5	Very high	97.5	Very high	93 Å²	93	39.2 Å²	39.2	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.6	178.5	-58.6	-178.4	-175.6	0	0	112.5	T202 Y203 P204	E172-T202 HydrophobicContact CG-CG2 4.48Å; E172-T202 VanDerWaalsContact OE1-CB 3.24Å; E172-T202 WeakPolarHBondContact OE1-CB 3.3Å; E172-T202 PolarHBondContact OE1-OG1 2.84Å; E172-Y203 PolarHBondContact N-O 2.95Å; E172-P204 WeakPolarHBondContact OE2-CA 3.44Å
173	A	98.1	Very high	97.8	Very high	51 Å²	51	37.4 Å²	37.4	42%	0.421	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16.6	176.9	0	0	0	0	0	112.7	G171 P175 M206	G171-A173 PolarHBondContact O-N 3.41Å; A173-P175 VanDerWaalsContact O-CD 3.23Å; A173-P175 WeakPolarHBondContact O-CD 3.41Å; A173-M206 CarbonylContact C-O 3.57Å; A173-M206 PolarHBondContact N-O 2.94Å; A173-M206 VanDerWaalsContact N-O 3.12Å
174	D	98.4	Very high	97.9	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.059	21%	0.21	C	C	.	.			trans	-68.2	113.2	-179.1	-169.8	-29.7	0	0	0	111.5	H170 G171 L176 V177 H208	H170-D174 IonicContact NE2-OD2 2.8Å; G171-D174 VanDerWaalsContact O-CB 3.3Å; G171-D174 WeakPolarHBondContact O-CB 3.09Å; G171-D174 PolarHBondContact O-N 2.98Å; D174-L176 PolarHBondContact OD1-N 3.38Å; D174-V177 WeakPolarHBondContact CB-O 3.48Å; D174-V177 PolarHBondContact OD1-N 3.45Å; D174-H208 VanDerWaalsContact CG-ND1 3.32Å; D174-H208 WeakPolarHBondContact OD1-CB 3.49Å; D174-H208 IonicContact OD1-CG 3.61Å; D174-H208 IonicContact OD1-ND1 2.72Å; D174-H208 PolarHBondContact OD1-ND1 2.81Å; D174-H208 IonicContact OD2-CE1 2.59Å; D174-H208 IonicContact OD2-CG 3.21Å; D174-H208 IonicContact OD2-ND1 3.73Å; D174-H208 PolarHBondContact OD2-ND1 3.27Å
175	P	96.5	Very high	98	Very high	102 Å²	102	37.2 Å²	37.2	66%	0.662	21%	0.211	S	C	*	.	S	Bend	trans	-87.5	-9.4	-178.1	36.1	-33.6	0	0	0	113.3	A173	A173-P175 VanDerWaalsContact O-CD 3.23Å; A173-P175 WeakPolarHBondContact O-CD 3.41Å
176	L	95.6	Very high	98	Very high	94 Å²	94	34.8 Å²	34.8	49%	0.492	20%	0.2	S	C	.	.	S	Bend	trans	-104.3	-47.6	-173.9	-66.3	-178.5	0	0	0	111.9	D174 P178 H208	D174-L176 PolarHBondContact OD1-N 3.38Å; L176-P178 WeakPolarHBondContact O-CD 3.21Å; L176-H208 HydrophobicContact CB-CB 4.2Å; L176-H208 HydrophobicContact CD1-CB 4.04Å; L176-H208 HydrophobicContact CG-CB 4.26Å
177	V	97.1	Very high	98	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.224	C	C	.	.	S	Bend	trans	-116.1	91.4	174.2	-176.2	0	0	0	0	106.5	W145 H170 D174 V179 F181	W145-V177 HydrophobicContact CE3-CG1 4.28Å; W145-V177 HydrophobicContact CE3-CG2 4.41Å; W145-V177 HydrophobicContact CZ3-CG2 4.21Å; H170-V177 PolarHBondContact NE2-O 3.19Å; D174-V177 WeakPolarHBondContact CB-O 3.48Å; D174-V177 PolarHBondContact OD1-N 3.45Å; V177-V179 PolarHBondContact O-N 2.59Å; V177-F181 HydrophobicContact CG1-CB 4.16Å; V177-F181 HydrophobicContact CG1-CD2 3.99Å
178	P	96.6	Very high	98	Very high	49 Å²	49	42.5 Å²	42.5	32%	0.318	24%	0.235	S	C	.	.			trans	-54	140.6	-176.6	-26.9	34.9	0	0	0	111.5	L176 M180 F181	L176-P178 WeakPolarHBondContact O-CD 3.21Å; P178-M180 PolarHBondContact O-N 3.38Å; P178-F181 WeakPolarHBondContact O-CB 3.14Å; P178-F181 PolarHBondContact O-N 3.18Å
179	V	97.8	Very high	98	Very high	42 Å²	42	42.5 Å²	42.5	26%	0.255	24%	0.235	S	C	.	.	H	α-helix	trans	-52.7	-26.8	-179.9	67.8	0	0	0	0	113.3	H170 V177 F181 G182 C183 F200 T202	H170-V179 HydrophobicContact CB-CG2 4.26Å; V177-V179 PolarHBondContact O-N 2.59Å; V179-F181 PolarHBondContact O-N 2.95Å; V179-G182 CarbonylContact O-C 3.49Å; V179-G182 WeakPolarHBondContact O-CA 3.32Å; V179-G182 PolarHBondContact O-N 3.08Å; V179-C183 PolarHBondContact O-N 3.13Å; V179-C183 PolarHBondContact O-SG 3.47Å; V179-C183 VanDerWaalsContact O-SG 3.42Å; V179-F200 HydrophobicContact CG2-CZ 4.43Å; V179-T202 HydrophobicContact CG2-CG2 4.14Å
180	M	97.3	Very high	97.9	Very high	105 Å²	105	46.3 Å²	46.3	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-54.4	-36.1	172	-176.2	174.2	64.7	0	0	113	T80 P178 G182 C183 L184	T80-M180 HydrophobicContact CG2-CE 4.27Å; P178-M180 PolarHBondContact O-N 3.38Å; M180-G182 VanDerWaalsContact C-N 3.32Å; M180-C183 WeakPolarHBondContact O-CB 3.46Å; M180-C183 PolarHBondContact O-N 3.21Å; M180-L184 HydrophobicContact CG-CD1 4.37Å; M180-L184 WeakPolarHBondContact O-CG 3.5Å; M180-L184 PolarHBondContact O-N 3.01Å
181	F	97.8	Very high	97.9	Very high	22 Å²	22	51 Å²	51	10%	0.096	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-37.5	176.2	-67.4	6.3	0	0	0	110.8	L78 T80 W145 V177 P178 V179 L184 T185	L78-F181 WeakPolarHBondContact O-CE2 3.32Å; L78-F181 WeakPolarHBondContact O-CZ 3.46Å; T80-F181 HydrophobicContact CG2-CD1 3.9Å; T80-F181 HydrophobicContact CG2-CE1 3.27Å; T80-F181 HydrophobicContact CG2-CZ 3.99Å; W145-F181 HydrophobicContact CB-CB 4.35Å; V177-F181 HydrophobicContact CG1-CB 4.16Å; V177-F181 HydrophobicContact CG1-CD2 3.99Å; P178-F181 WeakPolarHBondContact O-CB 3.14Å; P178-F181 PolarHBondContact O-N 3.18Å; V179-F181 PolarHBondContact O-N 2.95Å; F181-L184 PolarHBondContact O-N 2.8Å; F181-T185 VanDerWaalsContact O-CB 3.26Å; F181-T185 WeakPolarHBondContact O-CB 3.34Å; F181-T185 PolarHBondContact O-N 3.39Å; F181-T185 PolarHBondContact O-OG1 2.64Å
182	G	98.2	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-48	170.2	0	0	0	0	0	111.6	Q168 V179 M180 L184 T185 V186	Q168-G182 PolarHBondContact NE2-O 3.32Å; V179-G182 CarbonylContact O-C 3.49Å; V179-G182 WeakPolarHBondContact O-CA 3.32Å; V179-G182 PolarHBondContact O-N 3.08Å; M180-G182 VanDerWaalsContact C-N 3.32Å; G182-L184 PolarHBondContact O-N 2.72Å; G182-T185 WeakPolarHBondContact O-CB 3.08Å; G182-T185 PolarHBondContact O-N 3.1Å; G182-T185 VanDerWaalsContact O-N 3.16Å; G182-V186 PolarHBondContact O-N 2.8Å
183	C	98.4	Very high	97.7	Very high	54 Å²	54	48.2 Å²	48.2	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-47.3	177.1	-64.7	0	0	0	0	112.6	V179 M180 T185 V186 E187	V179-C183 PolarHBondContact O-N 3.13Å; V179-C183 PolarHBondContact O-SG 3.47Å; V179-C183 VanDerWaalsContact O-SG 3.42Å; M180-C183 WeakPolarHBondContact O-CB 3.46Å; M180-C183 PolarHBondContact O-N 3.21Å; C183-T185 VanDerWaalsContact C-N 3.25Å; C183-T185 PolarHBondContact O-N 2.8Å; C183-V186 VanDerWaalsContact O-CG1 3.24Å; C183-V186 WeakPolarHBondContact O-CG1 3Å; C183-V186 PolarHBondContact O-N 2.9Å; C183-E187 WeakPolarHBondContact O-CG 3.49Å; C183-E187 PolarHBondContact O-N 2.81Å; C183-E187 VanDerWaalsContact O-N 3.1Å
184	L	98.1	Very high	97.6	Very high	91 Å²	91	48.1 Å²	48.1	48%	0.476	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-36.2	176.5	-69.2	172.5	0	0	0	111.8	T80 M180 F181 G182 K188	T80-L184 HydrophobicContact CG2-CD1 4.33Å; M180-L184 HydrophobicContact CG-CD1 4.37Å; M180-L184 WeakPolarHBondContact O-CG 3.5Å; M180-L184 PolarHBondContact O-N 3.01Å; F181-L184 PolarHBondContact O-N 2.8Å; G182-L184 PolarHBondContact O-N 2.72Å; L184-K188 WeakPolarHBondContact O-CB 3.3Å; L184-K188 PolarHBondContact O-N 2.87Å
185	T	98.6	Very high	97.6	Very high	7 Å²	7	51 Å²	51	4%	0.043	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-50.6	177.9	-64.1	0	0	0	0	111.3	L126 W145 L146 F181 G182 C183 E187 K188 L189	L126-T185 HydrophobicContact CD1-CG2 3.75Å; W145-T185 VanDerWaalsContact CA-OG1 3.31Å; W145-T185 WeakPolarHBondContact CA-OG1 3.5Å; L146-T185 HydrophobicContact CB-CG2 3.91Å; L146-T185 PolarHBondContact N-OG1 3.46Å; F181-T185 VanDerWaalsContact O-CB 3.26Å; F181-T185 WeakPolarHBondContact O-CB 3.34Å; F181-T185 PolarHBondContact O-N 3.39Å; F181-T185 PolarHBondContact O-OG1 2.64Å; G182-T185 WeakPolarHBondContact O-CB 3.08Å; G182-T185 PolarHBondContact O-N 3.1Å; G182-T185 VanDerWaalsContact O-N 3.16Å; C183-T185 VanDerWaalsContact C-N 3.25Å; C183-T185 PolarHBondContact O-N 2.8Å; T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 2.89Å; T185-K188 PolarHBondContact O-N 3.2Å; T185-K188 VanDerWaalsContact O-N 3.16Å; T185-L189 HydrophobicContact CG2-CD1 3.99Å; T185-L189 HydrophobicContact CG2-CG 4.28Å; T185-L189 VanDerWaalsContact O-CG 3.29Å; T185-L189 WeakPolarHBondContact O-CG 3.31Å; T185-L189 PolarHBondContact O-N 3.17Å
186	V	98.7	Very high	97.6	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-39.7	180	67.9	0	0	0	0	111.4	G182 C183 K188 L189 K190 I198 F200	G182-V186 PolarHBondContact O-N 2.8Å; C183-V186 VanDerWaalsContact O-CG1 3.24Å; C183-V186 WeakPolarHBondContact O-CG1 3Å; C183-V186 PolarHBondContact O-N 2.9Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 3.22Å; V186-L189 PolarHBondContact O-N 2.97Å; V186-K190 WeakPolarHBondContact O-CG 3.33Å; V186-K190 PolarHBondContact O-N 3.44Å; V186-I198 HydrophobicContact CG2-CG2 3.6Å; V186-F200 HydrophobicContact CB-CB 4.12Å; V186-F200 HydrophobicContact CB-CD2 4.44Å; V186-F200 HydrophobicContact CB-CG 4.17Å; V186-F200 HydrophobicContact CG1-CB 4.26Å; V186-F200 HydrophobicContact CG1-CD1 3.97Å; V186-F200 HydrophobicContact CG1-CE1 4.43Å; V186-F200 HydrophobicContact CG1-CG 4.03Å; V186-F200 HydrophobicContact CG2-CB 3.67Å; V186-F200 HydrophobicContact CG2-CG 4.27Å
187	E	98.4	Very high	97.7	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.5	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-43.6	176.2	-73.3	-58.1	118.7	0	0	111	C183 T185 K190 T191	C183-E187 WeakPolarHBondContact O-CG 3.49Å; C183-E187 PolarHBondContact O-N 2.81Å; C183-E187 VanDerWaalsContact O-N 3.1Å; T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 2.89Å; E187-K190 PolarHBondContact O-N 2.97Å; E187-K190 IonicContact OE1-NZ 3.56Å; E187-K190 PolarHBondContact OE1-NZ 3.15Å; E187-T191 PolarHBondContact O-N 3.06Å
188	K	98.3	Very high	97.8	Very high	58 Å²	58	48.6 Å²	48.6	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-42.7	174	-171.7	62	175	-176.6	0	111.8	L146 F152 L184 T185 V186 K190 T191 L192	L146-K188 HydrophobicContact CD2-CB 4.32Å; L146-K188 HydrophobicContact CD2-CG 3.66Å; F152-K188 PolarHBondContact O-NZ 2.89Å; L184-K188 WeakPolarHBondContact O-CB 3.3Å; L184-K188 PolarHBondContact O-N 2.87Å; T185-K188 PolarHBondContact O-N 3.2Å; T185-K188 VanDerWaalsContact O-N 3.16Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 3.22Å; K188-K190 VanDerWaalsContact C-N 3.33Å; K188-K190 PolarHBondContact O-N 2.98Å; K188-T191 WeakPolarHBondContact O-CB 3.31Å; K188-T191 PolarHBondContact O-N 2.72Å; K188-T191 PolarHBondContact O-OG1 3.47Å; K188-L192 HydrophobicContact CG-CD1 4.06Å; K188-L192 WeakPolarHBondContact O-CG 3.38Å; K188-L192 PolarHBondContact O-N 3.08Å
189	L	98.5	Very high	97.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-40.8	178.6	-70.6	174.3	0	0	0	112.3	L126 L130 V166 T185 V186 T191 L192 C193 I198	L126-L189 HydrophobicContact CD2-CD1 3.94Å; L126-L189 HydrophobicContact CD2-CD2 4.11Å; L130-L189 HydrophobicContact CD1-CD2 3.83Å; L130-L189 HydrophobicContact CD2-CD2 4.41Å; V166-L189 HydrophobicContact CG1-CD1 4.15Å; T185-L189 HydrophobicContact CG2-CD1 3.99Å; T185-L189 HydrophobicContact CG2-CG 4.28Å; T185-L189 VanDerWaalsContact O-CG 3.29Å; T185-L189 WeakPolarHBondContact O-CG 3.31Å; T185-L189 PolarHBondContact O-N 3.17Å; V186-L189 PolarHBondContact O-N 2.97Å; L189-T191 PolarHBondContact O-N 2.86Å; L189-L192 PolarHBondContact O-N 2.67Å; L189-C193 PolarHBondContact O-N 2.92Å; L189-I198 HydrophobicContact CB-CD1 4.45Å; L189-I198 HydrophobicContact CB-CG2 4.34Å
190	K	98.1	Very high	98	Very high	81 Å²	81	50.7 Å²	50.7	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-21	174.1	-69.2	170	-175.6	167.5	0	113.2	V186 E187 K188 P195 I198	V186-K190 WeakPolarHBondContact O-CG 3.33Å; V186-K190 PolarHBondContact O-N 3.44Å; E187-K190 PolarHBondContact O-N 2.97Å; E187-K190 IonicContact OE1-NZ 3.56Å; E187-K190 PolarHBondContact OE1-NZ 3.15Å; K188-K190 VanDerWaalsContact C-N 3.33Å; K188-K190 PolarHBondContact O-N 2.98Å; K190-P195 HydrophobicContact CB-CB 4.28Å; K190-P195 HydrophobicContact CB-CG 4.45Å; K190-P195 HydrophobicContact CG-CB 4.26Å; K190-P195 WeakPolarHBondContact O-CG 3.46Å; K190-I198 HydrophobicContact CG-CB 4.41Å
191	T	97.5	Very high	98.1	Very high	99 Å²	99	49 Å²	49	61%	0.607	26%	0.264	S	S	*	.	H	α-helix	trans	-86.6	-18.1	172.4	72.8	0	0	0	0	113.8	E187 K188 L189	E187-T191 PolarHBondContact O-N 3.06Å; K188-T191 WeakPolarHBondContact O-CB 3.31Å; K188-T191 PolarHBondContact O-N 2.72Å; K188-T191 PolarHBondContact O-OG1 3.47Å; L189-T191 PolarHBondContact O-N 2.86Å
192	L	97.1	Very high	98.1	Very high	25 Å²	25	50.5 Å²	50.5	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-103	-28.4	-174.2	-61.7	176.2	0	0	0	113.1	L130 L146 F152 P153 K188 L189	L130-L192 HydrophobicContact CD1-CD1 4.21Å; L130-L192 HydrophobicContact CD2-CB 4.42Å; L146-L192 HydrophobicContact CD2-CD1 4.11Å; F152-L192 HydrophobicContact CB-CD1 3.87Å; F152-L192 HydrophobicContact CB-CD2 3.91Å; F152-L192 HydrophobicContact CD1-CD1 3.79Å; F152-L192 HydrophobicContact CD1-CD2 4.41Å; F152-L192 HydrophobicContact CG-CD1 3.89Å; P153-L192 HydrophobicContact CB-CD2 3.82Å; K188-L192 HydrophobicContact CG-CD1 4.06Å; K188-L192 WeakPolarHBondContact O-CG 3.38Å; K188-L192 PolarHBondContact O-N 3.08Å; L189-L192 PolarHBondContact O-N 2.67Å
193	C	95.8	Very high	98.1	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.054	28%	0.279	C	S	.	.	S	Bend	trans	-126.6	166.6	-178.4	-62.9	0	0	0	0	110.1	N161 N162 L189 P195 I198	N161-C193 PolarHBondContact O-SG 3.03Å; N162-C193 CarbonylContact O-C 3.55Å; N162-C193 WeakPolarHBondContact O-CA 3.24Å; N162-C193 WeakPolarHBondContact O-CB 3.33Å; L189-C193 PolarHBondContact O-N 2.92Å; C193-P195 WeakPolarHBondContact O-CD 3.47Å; C193-P195 VanDerWaalsContact O-N 3.09Å; C193-I198 HydrophobicContact CB-CD1 3.96Å
194	N	96.8	Very high	98.1	Very high	49 Å²	49	53 Å²	53	26%	0.262	29%	0.288	S	S	.	.			trans	-55.1	114.8	171.9	-175.7	-21.2	0	0	0	110.5	N162 E163 S196 N197	N162-N194 PolarHBondContact O-N 3.13Å; E163-N194 WeakPolarHBondContact OE2-CB 3.29Å; E163-N194 PolarHBondContact OE2-ND2 3.36Å; N194-S196 PolarHBondContact O-N 3.27Å; N194-S196 VanDerWaalsContact O-N 3.08Å; N194-S196 WeakPolarHBondContact OD1-CB 3.44Å; N194-S196 PolarHBondContact OD1-N 3.12Å; N194-S196 VanDerWaalsContact OD1-N 3.1Å; N194-S196 PolarHBondContact OD1-OG 3.13Å; N194-N197 HydrophobicContact CB-CB 4.5Å; N194-N197 WeakPolarHBondContact O-CB 3.33Å; N194-N197 PolarHBondContact O-N 3.4Å
195	P	97.7	Very high	98	Very high	72 Å²	72	59.5 Å²	59.5	47%	0.468	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-57.4	-29.6	-175.5	-24.2	31.1	0	0	0	113.8	K190 C193 N197 I198	K190-P195 HydrophobicContact CB-CB 4.28Å; K190-P195 HydrophobicContact CB-CG 4.45Å; K190-P195 HydrophobicContact CG-CB 4.26Å; K190-P195 WeakPolarHBondContact O-CG 3.46Å; C193-P195 WeakPolarHBondContact O-CD 3.47Å; C193-P195 VanDerWaalsContact O-N 3.09Å; P195-N197 PolarHBondContact O-N 3.12Å; P195-I198 PolarHBondContact O-N 2.98Å
196	S	97.8	Very high	98	Very high	105 Å²	105	59.6 Å²	59.6	73%	0.734	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.7	-179.4	-49.1	0	0	0	0	112.8	N194	N194-S196 PolarHBondContact O-N 3.27Å; N194-S196 VanDerWaalsContact O-N 3.08Å; N194-S196 WeakPolarHBondContact OD1-CB 3.44Å; N194-S196 PolarHBondContact OD1-N 3.12Å; N194-S196 VanDerWaalsContact OD1-N 3.1Å; N194-S196 PolarHBondContact OD1-OG 3.13Å
197	N	98.3	Very high	98	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.139	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-96.4	-3.5	-178.8	-64.6	-8.8	0	0	0	112.4	E163 M164 H165 V166 N194 P195	E163-N197 PolarHBondContact O-ND2 2.62Å; M164-N197 WeakPolarHBondContact O-CB 3.41Å; H165-N197 WeakPolarHBondContact CA-O 3.34Å; H165-N197 PolarHBondContact CE1-OD1 3.42Å; H165-N197 WeakPolarHBondContact ND1-CB 3.27Å; V166-N197 PolarHBondContact N-O 2.95Å; N194-N197 HydrophobicContact CB-CB 4.5Å; N194-N197 WeakPolarHBondContact O-CB 3.33Å; N194-N197 PolarHBondContact O-N 3.4Å; P195-N197 PolarHBondContact O-N 3.12Å
198	I	98.7	Very high	98	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.2	-177.6	-49.3	-57.3	0	0	0	109.9	V166 V186 L189 K190 C193 P195	V166-I198 HydrophobicContact CB-CD1 3.67Å; V166-I198 HydrophobicContact CG2-CD1 3.54Å; V186-I198 HydrophobicContact CG2-CG2 3.6Å; L189-I198 HydrophobicContact CB-CD1 4.45Å; L189-I198 HydrophobicContact CB-CG2 4.34Å; K190-I198 HydrophobicContact CG-CB 4.41Å; C193-I198 HydrophobicContact CB-CD1 3.96Å; P195-I198 PolarHBondContact O-N 2.98Å
199	I	98.8	Very high	98	Very high	74 Å²	74	59.1 Å²	59.1	38%	0.379	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.7	176.6	-59.3	173.6	0	0	0	107.9	V166 L167 Q168 K201	V166-I199 PolarHBondContact O-N 3.21Å; L167-I199 HydrophobicContact CD1-CB 4.22Å; L167-I199 HydrophobicContact CD1-CG2 3.92Å; Q168-I199 PolarHBondContact N-O 2.87Å; I199-K201 HydrophobicContact CG2-CG 4.03Å
200	F	98.8	Very high	97.9	Very high	60 Å²	60	60.6 Å²	60.6	26%	0.263	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.8	172	-179.1	-125.7	0	0	0	109.9	Q168 H170 V179 V186 T202	Q168-F200 HydrophobicContact CB-CD2 3.94Å; Q168-F200 HydrophobicContact CG-CD2 3.8Å; Q168-F200 HydrophobicContact CG-CE2 4.1Å; Q168-F200 CarbonylContact O-C 3.56Å; Q168-F200 VanDerWaalsContact O-CA 3.31Å; Q168-F200 WeakPolarHBondContact O-CA 3.21Å; H170-F200 HydrophobicContact CB-CE2 3.91Å; H170-F200 HydrophobicContact CB-CZ 4.14Å; V179-F200 HydrophobicContact CG2-CZ 4.43Å; V186-F200 HydrophobicContact CB-CB 4.12Å; V186-F200 HydrophobicContact CB-CD2 4.44Å; V186-F200 HydrophobicContact CB-CG 4.17Å; V186-F200 HydrophobicContact CG1-CB 4.26Å; V186-F200 HydrophobicContact CG1-CD1 3.97Å; V186-F200 HydrophobicContact CG1-CE1 4.43Å; V186-F200 HydrophobicContact CG1-CG 4.03Å; V186-F200 HydrophobicContact CG2-CB 3.67Å; V186-F200 HydrophobicContact CG2-CG 4.27Å; F200-T202 HydrophobicContact CD1-CG2 4.28Å; F200-T202 HydrophobicContact CE1-CG2 3.55Å; F200-T202 HydrophobicContact CE2-CG2 4.3Å; F200-T202 HydrophobicContact CZ-CG2 3.56Å
201	K	98.9	Very high	97.9	Very high	69 Å²	69	57.9 Å²	57.9	30%	0.3	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.2	178.2	-67.4	-166.6	168.5	-165.4	0	110.4	L167 Q168 C169 H170 I199 Y203 D217	L167-K201 HydrophobicContact CD1-CD 4.38Å; L167-K201 HydrophobicContact CD1-CG 4.38Å; Q168-K201 PolarHBondContact O-N 3.26Å; C169-K201 CarbonylContact C-O 2.97Å; C169-K201 VanDerWaalsContact CA-O 3.28Å; C169-K201 WeakPolarHBondContact CA-O 3.17Å; H170-K201 PolarHBondContact N-O 3.07Å; I199-K201 HydrophobicContact CG2-CG 4.03Å; K201-Y203 HydrophobicContact CB-CE2 4.31Å; K201-D217 HydrophobicContact CD-CB 4.18Å; K201-D217 WeakPolarHBondContact CD-OD2 3.26Å; K201-D217 WeakPolarHBondContact CE-OD2 3.24Å; K201-D217 IonicContact NZ-OD1 2.79Å; K201-D217 PolarHBondContact NZ-OD1 3.3Å; K201-D217 IonicContact NZ-OD2 2.64Å; K201-D217 PolarHBondContact NZ-OD2 2.66Å
202	T	98.8	Very high	97.9	Very high	55 Å²	55	58.1 Å²	58.1	34%	0.337	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151	175.7	59.9	0	0	0	0	111.5	H170 E172 V179 F200	H170-T202 CarbonylContact O-C 3.57Å; H170-T202 VanDerWaalsContact O-CA 3.23Å; H170-T202 WeakPolarHBondContact O-CA 3.46Å; E172-T202 HydrophobicContact CG-CG2 4.48Å; E172-T202 VanDerWaalsContact OE1-CB 3.24Å; E172-T202 WeakPolarHBondContact OE1-CB 3.3Å; E172-T202 PolarHBondContact OE1-OG1 2.84Å; V179-T202 HydrophobicContact CG2-CG2 4.14Å; F200-T202 HydrophobicContact CD1-CG2 4.28Å; F200-T202 HydrophobicContact CE1-CG2 3.55Å; F200-T202 HydrophobicContact CE2-CG2 4.3Å; F200-T202 HydrophobicContact CZ-CG2 3.56Å
203	Y	98.7	Very high	97.9	Very high	20 Å²	20	62.9 Å²	62.9	8%	0.078	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	106.7	-177.7	-54.8	-87.5	0	0	0	109.5	C169 H170 E172 K201 R205 M206 E213 E214 D217	C169-Y203 HydrophobicContact CB-CE2 3.81Å; C169-Y203 PolarHBondContact SG-OH 3.43Å; H170-Y203 PolarHBondContact O-N 3.36Å; E172-Y203 PolarHBondContact N-O 2.95Å; K201-Y203 HydrophobicContact CB-CE2 4.31Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 2.78Å; Y203-R205 VanDerWaalsContact O-N 3.12Å; Y203-M206 HydrophobicContact CD2-CE 3.52Å; Y203-M206 HydrophobicContact CD2-SD 4.21Å; Y203-M206 HydrophobicContact CE2-CE 4.31Å; Y203-M206 HydrophobicContact CG-CE 4.08Å; Y203-M206 HydrophobicContact CG-SD 4.24Å; Y203-M206 PolarHBondContact O-N 2.98Å; Y203-M206 VanDerWaalsContact O-N 3.13Å; Y203-E213 HydrophobicContact CD1-CB 4.34Å; Y203-E213 HydrophobicContact CE1-CB 4.15Å; Y203-E214 HydrophobicContact CD1-CB 4.49Å; Y203-E214 HydrophobicContact CD2-CB 4.38Å; Y203-E214 HydrophobicContact CE1-CB 3.91Å; Y203-E214 HydrophobicContact CE2-CB 3.8Å; Y203-E214 HydrophobicContact CE2-CG 3.73Å; Y203-E214 WeakPolarHBondContact OH-CA 3.28Å; Y203-D217 PolarHBondContact OH-OD2 2.98Å; Y203-D217 VanDerWaalsContact OH-OD2 3.1Å
204	P	97.7	Very high	98.1	Very high	86 Å²	86	62.5 Å²	62.5	56%	0.558	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.2	-163.8	-33.1	36.5	0	0	0	117.3	E172	E172-P204 WeakPolarHBondContact OE2-CA 3.44Å
205	R	96.6	Very high	98.2	Very high	228 Å²	228	61.1 Å²	61.1	86%	0.86	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	2.7	-177.1	-63.5	-171.1	-62	-92.9	-2.6	113.5	Y203 P207	Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 2.78Å; Y203-R205 VanDerWaalsContact O-N 3.12Å; R205-P207 WeakPolarHBondContact O-CD 3.23Å
206	M	98.5	Very high	98.2	Very high	9 Å²	9	62 Å²	62	4%	0.044	33%	0.332	C	S	.	.			trans	-79.6	124.6	-176.9	-169.1	172.4	77.8	0	0	108.9	G171 A173 Y203 S209 C211 E214	G171-M206 CarbonylContact C-O 3.58Å; G171-M206 WeakPolarHBondContact CA-O 3.13Å; A173-M206 CarbonylContact C-O 3.57Å; A173-M206 PolarHBondContact N-O 2.94Å; A173-M206 VanDerWaalsContact N-O 3.12Å; Y203-M206 HydrophobicContact CD2-CE 3.52Å; Y203-M206 HydrophobicContact CD2-SD 4.21Å; Y203-M206 HydrophobicContact CE2-CE 4.31Å; Y203-M206 HydrophobicContact CG-CE 4.08Å; Y203-M206 HydrophobicContact CG-SD 4.24Å; Y203-M206 PolarHBondContact O-N 2.98Å; Y203-M206 VanDerWaalsContact O-N 3.13Å; M206-S209 WeakPolarHBondContact CE-O 3.3Å; M206-C211 HydrophobicContact CG-CB 4.37Å; M206-C211 HydrophobicContact SD-CB 3.74Å; M206-E214 WeakPolarHBondContact CE-OE1 3.42Å
207	P	98.5	Very high	98.3	Very high	62 Å²	62	58.2 Å²	58.2	40%	0.403	30%	0.304	S	S	.	.			trans	-80.1	-155.1	172.9	36.7	-36.3	0	0	0	109.9	R205 S209	R205-P207 WeakPolarHBondContact O-CD 3.23Å; P207-S209 PolarHBondContact O-N 3.01Å
208	H	98.3	Very high	98.3	Very high	41 Å²	41	57 Å²	57	19%	0.19	30%	0.298	C	S	.	.	S	Bend	trans	-71.3	71.6	170.9	-158.9	63.1	0	0	0	111.5	F118 S119 D174 L176	F118-H208 AromaticContact CE1-CD2 3.78Å; F118-H208 AromaticContact CE1-NE2 3.44Å; F118-H208 WeakPolarHBondContact CE1-NE2 3.4Å; F118-H208 AromaticContact CZ-CD2 3.62Å; F118-H208 AromaticContact CZ-CE1 3.75Å; F118-H208 AromaticContact CZ-CG 3.93Å; F118-H208 AromaticContact CZ-ND1 3.99Å; F118-H208 AromaticContact CZ-NE2 3.53Å; S119-H208 VanDerWaalsContact CB-NE2 3.34Å; S119-H208 WeakPolarHBondContact CB-NE2 3.42Å; S119-H208 PolarHBondContact OG-CE1 3.27Å; S119-H208 PolarHBondContact OG-NE2 2.75Å; S119-H208 VanDerWaalsContact OG-NE2 3.08Å; D174-H208 VanDerWaalsContact CG-ND1 3.32Å; D174-H208 WeakPolarHBondContact OD1-CB 3.49Å; D174-H208 IonicContact OD1-CG 3.61Å; D174-H208 IonicContact OD1-ND1 2.72Å; D174-H208 PolarHBondContact OD1-ND1 2.81Å; D174-H208 IonicContact OD2-CE1 2.59Å; D174-H208 IonicContact OD2-CG 3.21Å; D174-H208 IonicContact OD2-ND1 3.73Å; D174-H208 PolarHBondContact OD2-ND1 3.27Å; L176-H208 HydrophobicContact CB-CB 4.2Å; L176-H208 HydrophobicContact CD1-CB 4.04Å; L176-H208 HydrophobicContact CG-CB 4.26Å
209	S	97.8	Very high	98.3	Very high	56 Å²	56	59.1 Å²	59.1	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	-155.6	-179.6	-175.6	-175	0	0	0	0	109.5	M206 P207	M206-S209 WeakPolarHBondContact CE-O 3.3Å; P207-S209 PolarHBondContact O-N 3.01Å
210	A	96.6	Very high	98.3	Very high	31 Å²	31	60.5 Å²	60.5	26%	0.256	31%	0.311	S	S	.	.			trans	-102.4	164	161.7	0	0	0	0	0	111.8	W37 E214 M215	W37-A210 HydrophobicContact CH2-CB 3.91Å; W37-A210 HydrophobicContact CZ3-CB 4.36Å; A210-E214 WeakPolarHBondContact CA-OE2 3.24Å; A210-E214 WeakPolarHBondContact CB-OE2 3.23Å; A210-M215 HydrophobicContact CB-SD 4.48Å
211	C	97.8	Very high	98.3	Very high	24 Å²	24	58.3 Å²	58.3	16%	0.162	30%	0.302	C	S	.	.			trans	-136.2	163.8	173.5	73.7	0	0	0	0	112.6	M206 E213 E214 M215	M206-C211 HydrophobicContact CG-CB 4.37Å; M206-C211 HydrophobicContact SD-CB 3.74Å; C211-E213 VanDerWaalsContact C-N 3.3Å; C211-E213 PolarHBondContact O-N 3.38Å; C211-E213 PolarHBondContact SG-OE2 2.91Å; C211-E214 PolarHBondContact O-N 3.5Å; C211-E214 PolarHBondContact SG-N 3.1Å; C211-E214 VanDerWaalsContact SG-N 3.39Å; C211-M215 WeakPolarHBondContact O-CG 3.4Å; C211-M215 PolarHBondContact O-N 2.94Å
212	P	97.7	Very high	98.3	Very high	104 Å²	104	55.1 Å²	55.1	68%	0.675	29%	0.288	S	S	*	.	H	α-helix	trans	-58	-38.1	180	-26.3	36.3	0	0	0	114.3	M215 M216	P212-M215 PolarHBondContact O-N 3.44Å; P212-M216 PolarHBondContact O-N 3.28Å
213	E	98.4	Very high	98.3	Very high	125 Å²	125	56.6 Å²	56.6	58%	0.584	29%	0.291	S	S	*	.	H	α-helix	trans	-62.9	-44.9	176.6	-64.1	82.4	178.5	0	0	111.1	Y203 C211 M215 M216 D217	Y203-E213 HydrophobicContact CD1-CB 4.34Å; Y203-E213 HydrophobicContact CE1-CB 4.15Å; C211-E213 VanDerWaalsContact C-N 3.3Å; C211-E213 PolarHBondContact O-N 3.38Å; C211-E213 PolarHBondContact SG-OE2 2.91Å; E213-M215 PolarHBondContact O-N 3.16Å; E213-M216 PolarHBondContact O-N 2.83Å; E213-D217 PolarHBondContact O-N 2.84Å; E213-D217 VanDerWaalsContact O-N 3.09Å
214	E	98.7	Very high	98.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-43.9	175.7	-174.7	-173.3	-126.7	0	0	111.6	L142 C169 Y203 M206 A210 C211 M216 D217 I218	L142-E214 HydrophobicContact CD2-CG 4.43Å; C169-E214 HydrophobicContact CB-CG 3.95Å; C169-E214 WeakPolarHBondContact CB-OE1 3.34Å; Y203-E214 HydrophobicContact CD1-CB 4.49Å; Y203-E214 HydrophobicContact CD2-CB 4.38Å; Y203-E214 HydrophobicContact CE1-CB 3.91Å; Y203-E214 HydrophobicContact CE2-CB 3.8Å; Y203-E214 HydrophobicContact CE2-CG 3.73Å; Y203-E214 WeakPolarHBondContact OH-CA 3.28Å; M206-E214 WeakPolarHBondContact CE-OE1 3.42Å; A210-E214 WeakPolarHBondContact CA-OE2 3.24Å; A210-E214 WeakPolarHBondContact CB-OE2 3.23Å; C211-E214 PolarHBondContact O-N 3.5Å; C211-E214 PolarHBondContact SG-N 3.1Å; C211-E214 VanDerWaalsContact SG-N 3.39Å; E214-M216 VanDerWaalsContact C-N 3.26Å; E214-M216 PolarHBondContact O-N 3.49Å; E214-D217 WeakPolarHBondContact O-CB 3.46Å; E214-D217 PolarHBondContact O-N 3.21Å; E214-D217 VanDerWaalsContact O-N 3.11Å; E214-I218 HydrophobicContact CG-CD1 4.08Å; E214-I218 VanDerWaalsContact O-CG1 3.27Å; E214-I218 WeakPolarHBondContact O-CG1 3.41Å; E214-I218 PolarHBondContact O-N 3.4Å
215	M	98.6	Very high	98.3	Very high	21 Å²	21	60.2 Å²	60.2	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-34	177.1	-66.5	-55.5	-60.3	0	0	112.5	W37 A40 I44 A210 C211 P212 E213 I218 K219	W37-M215 HydrophobicContact CZ3-SD 4.35Å; A40-M215 HydrophobicContact CB-CE 3.9Å; I44-M215 HydrophobicContact CD1-CE 3.63Å; I44-M215 HydrophobicContact CG1-CE 4.02Å; I44-M215 HydrophobicContact CG2-CB 4.29Å; A210-M215 HydrophobicContact CB-SD 4.48Å; C211-M215 WeakPolarHBondContact O-CG 3.4Å; C211-M215 PolarHBondContact O-N 2.94Å; P212-M215 PolarHBondContact O-N 3.44Å; E213-M215 PolarHBondContact O-N 3.16Å; M215-I218 HydrophobicContact SD-CD1 3.84Å; M215-K219 WeakPolarHBondContact O-CB 3.49Å; M215-K219 PolarHBondContact O-N 3.37Å
216	M	98.6	Very high	98.4	Very high	89 Å²	89	49.4 Å²	49.4	44%	0.438	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-38.1	174.5	-170.7	59.3	68.5	0	0	111.9	P212 E213 E214 K219 Q220	P212-M216 PolarHBondContact O-N 3.28Å; E213-M216 PolarHBondContact O-N 2.83Å; E214-M216 VanDerWaalsContact C-N 3.26Å; E214-M216 PolarHBondContact O-N 3.49Å; M216-K219 WeakPolarHBondContact O-CB 3.44Å; M216-K219 PolarHBondContact O-N 2.78Å; M216-K219 HydrophobicContact SD-CD 4.01Å; M216-Q220 WeakPolarHBondContact O-CG 3.16Å; M216-Q220 PolarHBondContact O-N 2.71Å
217	D	98.8	Very high	98.4	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-40.4	175.5	-75.8	-30.2	0	0	0	112.3	L167 K201 Y203 E213 E214 K219 Q220 F221	L167-D217 HydrophobicContact CD2-CB 4.5Å; K201-D217 HydrophobicContact CD-CB 4.18Å; K201-D217 WeakPolarHBondContact CD-OD2 3.26Å; K201-D217 WeakPolarHBondContact CE-OD2 3.24Å; K201-D217 IonicContact NZ-OD1 2.79Å; K201-D217 PolarHBondContact NZ-OD1 3.3Å; K201-D217 IonicContact NZ-OD2 2.64Å; K201-D217 PolarHBondContact NZ-OD2 2.66Å; Y203-D217 PolarHBondContact OH-OD2 2.98Å; Y203-D217 VanDerWaalsContact OH-OD2 3.1Å; E213-D217 PolarHBondContact O-N 2.84Å; E213-D217 VanDerWaalsContact O-N 3.09Å; E214-D217 WeakPolarHBondContact O-CB 3.46Å; E214-D217 PolarHBondContact O-N 3.21Å; E214-D217 VanDerWaalsContact O-N 3.11Å; D217-K219 VanDerWaalsContact C-N 3.33Å; D217-K219 PolarHBondContact O-N 3.43Å; D217-Q220 PolarHBondContact O-N 3.18Å; D217-F221 WeakPolarHBondContact O-CB 3.21Å; D217-F221 PolarHBondContact O-N 3.47Å
218	I	98.8	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-45.9	171.4	-66.1	166.4	0	0	0	110.3	F41 I44 V140 L142 L167 E214 M215 Q220 F221 I222	F41-I218 HydrophobicContact CE1-CG2 3.97Å; I44-I218 HydrophobicContact CD1-CB 4.42Å; I44-I218 HydrophobicContact CD1-CG2 4.05Å; V140-I218 HydrophobicContact CG1-CD1 4.26Å; V140-I218 HydrophobicContact CG1-CG1 3.87Å; V140-I218 HydrophobicContact CG1-CG2 4.26Å; L142-I218 HydrophobicContact CD1-CD1 3.59Å; L142-I218 HydrophobicContact CD2-CD1 3.75Å; L142-I218 HydrophobicContact CD2-CG1 4.14Å; L142-I218 HydrophobicContact CG-CD1 4.3Å; L167-I218 HydrophobicContact CD2-CG1 4.15Å; E214-I218 HydrophobicContact CG-CD1 4.08Å; E214-I218 VanDerWaalsContact O-CG1 3.27Å; E214-I218 WeakPolarHBondContact O-CG1 3.41Å; E214-I218 PolarHBondContact O-N 3.4Å; M215-I218 HydrophobicContact SD-CD1 3.84Å; I218-Q220 PolarHBondContact O-N 3.16Å; I218-F221 PolarHBondContact O-N 3.04Å; I218-I222 HydrophobicContact CG2-CD1 3.63Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 VanDerWaalsContact O-CG1 3.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.41Å; I218-I222 PolarHBondContact O-N 3.46Å
219	K	98.7	Very high	98	Very high	60 Å²	60	60.2 Å²	60.2	26%	0.261	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-51.3	177.6	-176.9	-176.8	171.9	-178.2	0	111.6	I44 M215 M216 D217 F221 I222 E223	I44-K219 HydrophobicContact CB-CB 4.07Å; I44-K219 HydrophobicContact CB-CD 4.12Å; I44-K219 HydrophobicContact CB-CG 4.22Å; I44-K219 HydrophobicContact CD1-CB 4.06Å; I44-K219 HydrophobicContact CG2-CB 4.44Å; I44-K219 HydrophobicContact CG2-CD 4.47Å; M215-K219 WeakPolarHBondContact O-CB 3.49Å; M215-K219 PolarHBondContact O-N 3.37Å; M216-K219 WeakPolarHBondContact O-CB 3.44Å; M216-K219 PolarHBondContact O-N 2.78Å; M216-K219 HydrophobicContact SD-CD 4.01Å; D217-K219 VanDerWaalsContact C-N 3.33Å; D217-K219 PolarHBondContact O-N 3.43Å; K219-F221 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 2.96Å; K219-I222 PolarHBondContact O-N 2.97Å; K219-E223 WeakPolarHBondContact CE-OE1 3.21Å; K219-E223 HydrophobicContact CG-CG 4.45Å; K219-E223 IonicContact NZ-OE1 2.78Å; K219-E223 WeakPolarHBondContact O-CG 3.37Å; K219-E223 PolarHBondContact O-N 2.68Å
220	Q	98.8	Very high	98	Very high	104 Å²	104	60.5 Å²	60.5	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-39.7	-179.8	-70.9	174.9	21.5	0	0	111.8	M216 D217 I218 K224	M216-Q220 WeakPolarHBondContact O-CG 3.16Å; M216-Q220 PolarHBondContact O-N 2.71Å; D217-Q220 PolarHBondContact O-N 3.18Å; I218-Q220 PolarHBondContact O-N 3.16Å; Q220-K224 WeakPolarHBondContact O-CB 3.44Å; Q220-K224 PolarHBondContact O-N 2.89Å
221	F	98.8	Very high	98.1	Very high	14 Å²	14	62 Å²	62	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-49.2	174.6	178.6	-93.7	0	0	0	111.5	V114 V139 V140 H165 L167 D217 I218 K219 E223 K224 Q225	V114-F221 HydrophobicContact CG1-CE1 4.3Å; V114-F221 HydrophobicContact CG2-CE1 4.47Å; V139-F221 WeakPolarHBondContact O-CZ 3.18Å; V140-F221 HydrophobicContact CG2-CD1 3.54Å; V140-F221 HydrophobicContact CG2-CE1 3.7Å; H165-F221 HydrophobicContact CB-CE2 3.9Å; H165-F221 HydrophobicContact CB-CZ 3.98Å; L167-F221 HydrophobicContact CB-CB 4.31Å; L167-F221 HydrophobicContact CB-CD1 4.25Å; L167-F221 HydrophobicContact CB-CD2 3.63Å; L167-F221 HydrophobicContact CB-CE2 3.9Å; L167-F221 HydrophobicContact CB-CG 3.8Å; L167-F221 HydrophobicContact CB-CZ 4.34Å; L167-F221 HydrophobicContact CD2-CB 3.79Å; L167-F221 HydrophobicContact CD2-CG 4.18Å; D217-F221 WeakPolarHBondContact O-CB 3.21Å; D217-F221 PolarHBondContact O-N 3.47Å; I218-F221 PolarHBondContact O-N 3.04Å; K219-F221 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 2.96Å; F221-E223 PolarHBondContact O-N 3.25Å; F221-K224 PolarHBondContact O-N 3.1Å; F221-Q225 HydrophobicContact CD1-CG 4.2Å; F221-Q225 HydrophobicContact CD2-CG 4.21Å; F221-Q225 HydrophobicContact CE1-CG 3.84Å; F221-Q225 HydrophobicContact CE2-CG 3.87Å; F221-Q225 HydrophobicContact CG-CG 4.38Å; F221-Q225 HydrophobicContact CZ-CG 3.67Å; F221-Q225 WeakPolarHBondContact O-CG 3.41Å; F221-Q225 PolarHBondContact O-N 3.31Å
222	I	98.8	Very high	98.1	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-45.5	178.5	-68.7	165.2	0	0	0	110.9	V24 F41 Y51 I218 K219 K224 Q225 L226	V24-I222 HydrophobicContact CG2-CD1 3.93Å; V24-I222 HydrophobicContact CG2-CG1 4.2Å; V24-I222 HydrophobicContact CG2-CG2 4.22Å; F41-I222 HydrophobicContact CE1-CD1 4.07Å; Y51-I222 HydrophobicContact CE1-CD1 4.13Å; I218-I222 HydrophobicContact CG2-CD1 3.63Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 VanDerWaalsContact O-CG1 3.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.41Å; I218-I222 PolarHBondContact O-N 3.46Å; K219-I222 PolarHBondContact O-N 2.97Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 3.47Å; I222-Q225 PolarHBondContact O-N 3.34Å; I222-L226 HydrophobicContact CG2-CD1 4.17Å; I222-L226 WeakPolarHBondContact O-CA 3.43Å; I222-L226 WeakPolarHBondContact O-CB 3.34Å; I222-L226 PolarHBondContact O-N 2.88Å
223	E	98.4	Very high	98.1	Very high	86 Å²	86	61.8 Å²	61.8	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-37.8	178	-75.2	176.2	162.2	0	0	112.2	T46 K219 F221	T46-E223 HydrophobicContact CG2-CG 3.59Å; K219-E223 WeakPolarHBondContact CE-OE1 3.21Å; K219-E223 HydrophobicContact CG-CG 4.45Å; K219-E223 IonicContact NZ-OE1 2.78Å; K219-E223 WeakPolarHBondContact O-CG 3.37Å; K219-E223 PolarHBondContact O-N 2.68Å; F221-E223 PolarHBondContact O-N 3.25Å
224	K	98.5	Very high	98.1	Very high	151 Å²	151	57.8 Å²	57.8	66%	0.657	29%	0.292	S	S	*	.	H	α-helix	trans	-70.7	-44.2	177	-175.4	178.7	179.7	-179.2	0	112.6	Q220 F221 I222	Q220-K224 WeakPolarHBondContact O-CB 3.44Å; Q220-K224 PolarHBondContact O-N 2.89Å; F221-K224 PolarHBondContact O-N 3.1Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 3.47Å
225	Q	98.5	Very high	98.1	Very high	32 Å²	32	61.7 Å²	61.7	15%	0.15	31%	0.311	C	S	.	.	H	α-helix	trans	-81.6	-27.9	-176	-60.8	-47.5	-37.4	0	0	113.1	V114 H165 F221 I222 P227	V114-Q225 HydrophobicContact CG2-CB 4.37Å; H165-Q225 HydrophobicContact CB-CG 4.28Å; H165-Q225 PolarHBondContact CD2-OE1 2.9Å; H165-Q225 VanDerWaalsContact CG-NE2 3.34Å; F221-Q225 HydrophobicContact CD1-CG 4.2Å; F221-Q225 HydrophobicContact CD2-CG 4.21Å; F221-Q225 HydrophobicContact CE1-CG 3.84Å; F221-Q225 HydrophobicContact CE2-CG 3.87Å; F221-Q225 HydrophobicContact CG-CG 4.38Å; F221-Q225 HydrophobicContact CZ-CG 3.67Å; F221-Q225 WeakPolarHBondContact O-CG 3.41Å; F221-Q225 PolarHBondContact O-N 3.31Å; I222-Q225 PolarHBondContact O-N 3.34Å; Q225-P227 WeakPolarHBondContact O-CD 3.38Å
226	L	98.5	Very high	98	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	33%	0.326	C	S	.	.	S	Bend	trans	-121.1	62	-178.4	-54.1	179.3	0	0	0	110.6	A22 V24 H48 V49 R112 V114 I222	A22-L226 HydrophobicContact CB-CB 3.95Å; A22-L226 HydrophobicContact CB-CD1 3.85Å; A22-L226 HydrophobicContact CB-CD2 4.1Å; A22-L226 HydrophobicContact CB-CG 4.18Å; V24-L226 HydrophobicContact CG2-CD1 4.32Å; H48-L226 PolarHBondContact NE2-O 3.42Å; V49-L226 HydrophobicContact CG1-CD1 4.32Å; V49-L226 HydrophobicContact CG2-CB 4.36Å; V49-L226 HydrophobicContact CG2-CD1 4.36Å; R112-L226 WeakPolarHBondContact O-CD2 3.49Å; V114-L226 HydrophobicContact CB-CD1 4.23Å; V114-L226 HydrophobicContact CG2-CD1 3.78Å; V114-L226 HydrophobicContact CG2-CD2 4.18Å; V114-L226 HydrophobicContact CG2-CG 3.92Å; I222-L226 HydrophobicContact CG2-CD1 4.17Å; I222-L226 WeakPolarHBondContact O-CA 3.43Å; I222-L226 WeakPolarHBondContact O-CB 3.34Å; I222-L226 PolarHBondContact O-N 2.88Å
227	P	98	Very high	98	Very high	60 Å²	60	62.7 Å²	62.7	39%	0.39	32%	0.318	S	S	.	.			trans	-63.4	157.6	179.6	28.2	-36	0	0	0	111.5	R112 Q225	R112-P227 VanDerWaalsContact CZ-O 3.24Å; R112-P227 PolarHBondContact NH1-O 2.9Å; R112-P227 PolarHBondContact NH2-O 2.79Å; Q225-P227 WeakPolarHBondContact O-CD 3.38Å
228	P	96.6	Very high	97.9	Very high	102 Å²	102	65.7 Å²	65.7	66%	0.662	33%	0.332	S	S	*	.			trans	-57	148	172.4	-21	32	0	0	0	111.9
229	I	92.9	Very high	97.9	Very high	177 Å²	177	71.6 Å²	71.6	91%	0.908	36%	0.362	S	S	*	.			trans	-130.1	0	173.1	63.8	172	0	0	0	110.4	T21	T21-I229 HydrophobicContact CG2-CD1 4.14Å; T21-I229 HydrophobicContact CG2-CG1 3.87Å

Retrieved 229 of 229 residues in 1396.4 ms (Link to these results)

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