A0A087YDX9_POEFO Loading...

Dual specificity protein phosphatase 23

Protein phosphatase that mediates dephosphorylation of proteins phosphorylated on Tyr and Ser/Thr residues. In vitro, it can dephosphorylate p44-ERK1 (MAPK3) but not p54 SAPK-beta (MAPK10) in vitro. Able to enhance activation of JNK and p38 (MAPK14).

AlphaFold DB , UniProt , Accession A0A087YDX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 151 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	53.6	Low	86.9	Confident	242 Å²	242	77.3 Å²	77.3	100%	1.192	41%	0.41	S	S	*	.				0	138	0	-70.4	179.8	-178.9	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.16Å
2	A	66.4	Low	87.8	Confident	73 Å²	73	71.3 Å²	71.3	60%	0.603	38%	0.379	S	S	*	.			trans	-63.3	126.4	177.1	0	0	0	0	0	109.5	F4	A2-F4 HydrophobicContact CB-CZ 4.41Å
3	S	77.1	Confident	88.6	Confident	38 Å²	38	68.5 Å²	68.5	27%	0.266	36%	0.362	S	S	.	.			trans	-83.6	140.9	171.1	53.6	0	0	0	0	108.8	M1 D34	M1-S3 PolarHBondContact O-N 3.16Å; S3-D34 WeakPolarHBondContact CB-OD2 3.21Å; S3-D34 PolarHBondContact OG-OD2 2.62Å
4	F	87.4	Confident	89.2	Confident	134 Å²	134	71.3 Å²	71.3	59%	0.588	39%	0.386	S	S	*	.			trans	-114.1	138.5	-177.4	-67	-80.3	0	0	0	109.3	A2 E28 Y31	A2-F4 HydrophobicContact CB-CZ 4.41Å; F4-E28 WeakPolarHBondContact O-CA 3.36Å; F4-Y31 WeakPolarHBondContact O-CB 3.38Å
5	S	91.8	Very high	89.7	Confident	55 Å²	55	69.3 Å²	69.3	39%	0.385	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-59	129.9	174.4	-178.7	0	0	0	0	109.8	F9	S5-F9 WeakPolarHBondContact OG-CB 3.43Å
6	P	94.2	Very high	90.2	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.019	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-55.9	153	170.3	-16.6	24.4	0	0	0	111.1	N8 F9 L20 E28 Y31 L32	P6-N8 PolarHBondContact O-N 3.17Å; P6-F9 HydrophobicContact CB-CB 4.48Å; P6-F9 HydrophobicContact CG-CD2 4.49Å; P6-F9 VanDerWaalsContact O-CB 3.25Å; P6-F9 WeakPolarHBondContact O-CB 3.41Å; P6-F9 PolarHBondContact O-N 3.49Å; P6-L20 HydrophobicContact CB-CB 4.35Å; P6-L20 HydrophobicContact CB-CD1 3.63Å; P6-L20 HydrophobicContact CG-CD1 3.75Å; P6-E28 HydrophobicContact CB-CB 4.25Å; P6-E28 HydrophobicContact CB-CG 4.41Å; P6-E28 HydrophobicContact CG-CB 3.99Å; P6-Y31 HydrophobicContact CG-CD1 4.43Å; P6-L32 HydrophobicContact CG-CD2 4.11Å; P6-L32 HydrophobicContact CG-CG 4.33Å
7	H	95.4	Very high	90.7	Very high	136 Å²	136	66.4 Å²	66.4	63%	0.63	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	140.2	175.8	-172.6	-87.3	0	0	0	111.6	F9 A21	H7-F9 PolarHBondContact O-N 2.72Å; H7-F9 VanDerWaalsContact O-N 3.12Å; H7-A21 HydrophobicContact CB-CB 4.11Å; H7-A21 VanDerWaalsContact O-CB 3.28Å; H7-A21 WeakPolarHBondContact O-CB 3.47Å; H7-A21 PolarHBondContact O-N 2.98Å
8	N	96.3	Very high	91.2	Very high	46 Å²	46	62.7 Å²	62.7	25%	0.246	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	28.1	-179.8	-164.4	17.2	0	0	0	114.1	P6 L20 A21 H98 G99 H100 R130	P6-N8 PolarHBondContact O-N 3.17Å; N8-L20 WeakPolarHBondContact O-CA 3.47Å; N8-A21 HydrophobicContact CB-CB 4.15Å; N8-H98 PolarHBondContact ND2-O 3.38Å; N8-G99 PolarHBondContact ND2-O 3.08Å; N8-H100 PolarHBondContact ND2-CE1 2.86Å; N8-H100 PolarHBondContact ND2-NE2 3.31Å; N8-R130 VanDerWaalsContact CG-NH2 3.3Å; N8-R130 PolarHBondContact ND2-NH2 2.98Å; N8-R130 VanDerWaalsContact O-CZ 3.27Å; N8-R130 PolarHBondContact O-NH1 2.78Å; N8-R130 PolarHBondContact O-NH2 3.34Å; N8-R130 PolarHBondContact OD1-NH2 3.45Å
9	F	97.9	Very high	91.5	Very high	32 Å²	32	59.4 Å²	59.4	14%	0.14	33%	0.327	C	S	.	.			trans	-72.3	130.3	174.8	177.7	-89.7	0	0	0	111.1	S5 P6 H7 W11 A18 G19 L20 Y31 L32	S5-F9 WeakPolarHBondContact OG-CB 3.43Å; P6-F9 HydrophobicContact CB-CB 4.48Å; P6-F9 HydrophobicContact CG-CD2 4.49Å; P6-F9 VanDerWaalsContact O-CB 3.25Å; P6-F9 WeakPolarHBondContact O-CB 3.41Å; P6-F9 PolarHBondContact O-N 3.49Å; H7-F9 PolarHBondContact O-N 2.72Å; H7-F9 VanDerWaalsContact O-N 3.12Å; F9-W11 AromaticContact CE1-CD1 3.95Å; F9-W11 AromaticContact CE1-NE1 3.71Å; F9-W11 HydrophobicContact CZ-CD2 4.28Å; F9-W11 AromaticContact CZ-CE2 3.74Å; F9-W11 HydrophobicContact CZ-CZ2 4.04Å; F9-W11 AromaticContact CZ-NE1 3.72Å; F9-A18 HydrophobicContact CD2-CB 4.3Å; F9-A18 HydrophobicContact CE2-CB 3.53Å; F9-A18 HydrophobicContact CZ-CB 3.79Å; F9-G19 CarbonylContact C-O 3.36Å; F9-G19 VanDerWaalsContact CA-O 3.27Å; F9-G19 WeakPolarHBondContact CA-O 3.46Å; F9-L20 HydrophobicContact CB-CB 4.24Å; F9-L20 HydrophobicContact CD2-CB 4.21Å; F9-Y31 HydrophobicContact CD1-CE1 4.05Å; F9-Y31 AromaticContact CE1-CE1 3.98Å; F9-Y31 HydrophobicContact CE1-CE1 3.98Å; F9-Y31 HydrophobicContact CE2-CE1 4.48Å; F9-Y31 HydrophobicContact CG-CE1 4.35Å; F9-Y31 HydrophobicContact CZ-CE1 4.21Å; F9-L32 HydrophobicContact CD2-CD2 4.01Å; F9-L32 HydrophobicContact CE2-CD2 3.71Å
10	S	97.6	Very high	91.9	Very high	30 Å²	30	56.4 Å²	56.4	21%	0.21	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	147.9	164.3	74.4	0	0	0	0	112	A18 G19 R130	S10-A18 VanDerWaalsContact O-CA 3.3Å; S10-A18 WeakPolarHBondContact O-CA 3.25Å; S10-A18 WeakPolarHBondContact O-CB 3.34Å; S10-G19 PolarHBondContact N-O 2.85Å; S10-G19 PolarHBondContact O-N 2.92Å; S10-R130 VanDerWaalsContact N-NH1 3.19Å; S10-R130 VanDerWaalsContact OG-CG 3.31Å; S10-R130 WeakPolarHBondContact OG-CG 3.49Å; S10-R130 PolarHBondContact OG-NH1 2.68Å
11	W	98.3	Very high	92.2	Very high	61 Å²	61	54 Å²	54	23%	0.231	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129	172.5	-69.8	107.5	0	0	0	110.6	F9 E13 P14 A18 N35 V37	F9-W11 AromaticContact CE1-CD1 3.95Å; F9-W11 AromaticContact CE1-NE1 3.71Å; F9-W11 HydrophobicContact CZ-CD2 4.28Å; F9-W11 AromaticContact CZ-CE2 3.74Å; F9-W11 HydrophobicContact CZ-CZ2 4.04Å; F9-W11 AromaticContact CZ-NE1 3.72Å; W11-E13 VanDerWaalsContact CE3-O 3.31Å; W11-P14 HydrophobicContact CB-CG 4.37Å; W11-A18 HydrophobicContact CD2-CB 4.03Å; W11-A18 HydrophobicContact CE3-CB 3.68Å; W11-A18 HydrophobicContact CH2-CB 4.5Å; W11-A18 HydrophobicContact CZ3-CB 3.92Å; W11-N35 HydrophobicContact CZ2-CB 4.29Å; W11-V37 HydrophobicContact CH2-CG2 3.68Å; W11-V37 HydrophobicContact CZ2-CG2 4.27Å; W11-V37 HydrophobicContact CZ3-CG2 4.49Å
12	V	98	Very high	94.3	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-37.3	164.1	173.4	0	0	0	0	109.8	L17 L107 L111 R115 I126 I129	V12-L17 PolarHBondContact N-O 3.46Å; V12-L107 HydrophobicContact CB-CD2 4.41Å; V12-L107 HydrophobicContact CG2-CB 4.32Å; V12-L107 HydrophobicContact CG2-CD1 3.82Å; V12-L107 HydrophobicContact CG2-CD2 3.84Å; V12-L107 HydrophobicContact CG2-CG 4.2Å; V12-L111 HydrophobicContact CG1-CD1 4.4Å; V12-L111 HydrophobicContact CG1-CD2 3.77Å; V12-L111 HydrophobicContact CG1-CG 4.17Å; V12-R115 PolarHBondContact O-NH2 2.99Å; V12-I126 HydrophobicContact CG1-CD1 3.81Å; V12-I126 HydrophobicContact CG2-CD1 3.94Å; V12-I129 HydrophobicContact CG1-CD1 4.34Å
13	E	97.6	Very high	95.7	Very high	35 Å²	35	40.2 Å²	40.2	16%	0.164	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	110.8	168.8	-170.3	151.6	148	0	0	108.9	W11 G15 K16 L17 Y110 R115	W11-E13 VanDerWaalsContact CE3-O 3.31Å; E13-G15 PolarHBondContact O-N 3.28Å; E13-K16 HydrophobicContact CB-CB 4.18Å; E13-K16 HydrophobicContact CG-CB 4.11Å; E13-K16 HydrophobicContact CG-CD 4.04Å; E13-K16 HydrophobicContact CG-CG 4.31Å; E13-K16 PolarHBondContact O-N 3.14Å; E13-K16 VanDerWaalsContact OE1-CD 3.29Å; E13-K16 WeakPolarHBondContact OE1-CD 3.5Å; E13-K16 WeakPolarHBondContact OE1-CE 3.41Å; E13-K16 IonicContact OE1-NZ 2.72Å; E13-K16 PolarHBondContact OE1-NZ 3.23Å; E13-L17 PolarHBondContact N-O 2.95Å; E13-L17 VanDerWaalsContact N-O 3.09Å; E13-L17 PolarHBondContact O-N 2.97Å; E13-Y110 HydrophobicContact CB-CE1 4.39Å; E13-R115 IonicContact OE2-CZ 3.82Å; E13-R115 IonicContact OE2-NE 2.94Å; E13-R115 IonicContact OE2-NH2 3.08Å; E13-R115 PolarHBondContact OE2-NH2 2.84Å; E13-R115 VanDerWaalsContact OE2-NH2 3.08Å
14	P	97.4	Very high	96.6	Very high	107 Å²	107	45.4 Å²	45.4	70%	0.695	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	130.2	-174.8	-29.2	35.9	0	0	0	112.9	W11 K16	W11-P14 HydrophobicContact CB-CG 4.37Å; P14-K16 PolarHBondContact O-N 3.26Å
15	G	96.4	Very high	96.9	Very high	42 Å²	42	44.2 Å²	44.2	43%	0.433	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-8.7	-179.2	0	0	0	0	0	115.2	E13 G91	E13-G15 PolarHBondContact O-N 3.28Å; G15-G91 WeakPolarHBondContact O-CA 3.48Å
16	K	98.1	Very high	97.1	Very high	88 Å²	88	44.3 Å²	44.3	38%	0.383	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-53.8	-178.1	-64.7	-167.6	-163.9	162.5	0	113.6	E13 P14 N86 V92	E13-K16 HydrophobicContact CB-CB 4.18Å; E13-K16 HydrophobicContact CG-CB 4.11Å; E13-K16 HydrophobicContact CG-CD 4.04Å; E13-K16 HydrophobicContact CG-CG 4.31Å; E13-K16 PolarHBondContact O-N 3.14Å; E13-K16 VanDerWaalsContact OE1-CD 3.29Å; E13-K16 WeakPolarHBondContact OE1-CD 3.5Å; E13-K16 WeakPolarHBondContact OE1-CE 3.41Å; E13-K16 IonicContact OE1-NZ 2.72Å; E13-K16 PolarHBondContact OE1-NZ 3.23Å; P14-K16 PolarHBondContact O-N 3.26Å; K16-N86 VanDerWaalsContact CA-OD1 3.28Å; K16-N86 WeakPolarHBondContact CA-OD1 3.37Å; K16-N86 WeakPolarHBondContact CB-OD1 3.29Å; K16-N86 PolarHBondContact O-OD1 3.43Å; K16-V92 PolarHBondContact O-N 2.99Å
17	L	98.8	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	124.1	-174.3	-172	61.8	0	0	0	112.8	V12 E13 F78 V82 V92 V94 L107 Y110	V12-L17 PolarHBondContact N-O 3.46Å; E13-L17 PolarHBondContact N-O 2.95Å; E13-L17 VanDerWaalsContact N-O 3.09Å; E13-L17 PolarHBondContact O-N 2.97Å; L17-F78 HydrophobicContact CD1-CE2 4.36Å; L17-F78 HydrophobicContact CD1-CZ 4Å; L17-F78 HydrophobicContact CD2-CZ 4.13Å; L17-V82 HydrophobicContact CD1-CG1 4.48Å; L17-V82 HydrophobicContact CD1-CG2 3.95Å; L17-V92 CarbonylContact C-O 3.56Å; L17-V92 WeakPolarHBondContact CA-O 3.24Å; L17-V92 HydrophobicContact CD1-CB 4.05Å; L17-V92 HydrophobicContact CD1-CG1 4.23Å; L17-V94 HydrophobicContact CD1-CG1 4.32Å; L17-L107 HydrophobicContact CD1-CD2 4.27Å; L17-L107 HydrophobicContact CD2-CD2 3.65Å; L17-L107 HydrophobicContact CG-CD2 3.69Å; L17-Y110 HydrophobicContact CB-CE1 4.38Å; L17-Y110 HydrophobicContact CD2-CD1 3.41Å; L17-Y110 VanDerWaalsContact CD2-CD1 3.41Å; L17-Y110 HydrophobicContact CD2-CD2 3.76Å; L17-Y110 HydrophobicContact CD2-CE1 3.88Å; L17-Y110 HydrophobicContact CD2-CE2 4.2Å; L17-Y110 HydrophobicContact CD2-CG 3.32Å
18	A	98.6	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.3	175	0	0	0	0	0	112.3	F9 S10 W11 V92 A93 V94	F9-A18 HydrophobicContact CD2-CB 4.3Å; F9-A18 HydrophobicContact CE2-CB 3.53Å; F9-A18 HydrophobicContact CZ-CB 3.79Å; S10-A18 VanDerWaalsContact O-CA 3.3Å; S10-A18 WeakPolarHBondContact O-CA 3.25Å; S10-A18 WeakPolarHBondContact O-CB 3.34Å; W11-A18 HydrophobicContact CD2-CB 4.03Å; W11-A18 HydrophobicContact CE3-CB 3.68Å; W11-A18 HydrophobicContact CH2-CB 4.5Å; W11-A18 HydrophobicContact CZ3-CB 3.92Å; A18-V92 PolarHBondContact N-O 3.42Å; A18-A93 WeakPolarHBondContact O-CA 3.42Å; A18-V94 WeakPolarHBondContact O-CG1 3.31Å; A18-V94 PolarHBondContact O-N 3.21Å
19	G	98.6	Very high	97.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.1	167.1	0	0	0	0	0	111.1	F9 S10 V94 R130	F9-G19 CarbonylContact C-O 3.36Å; F9-G19 VanDerWaalsContact CA-O 3.27Å; F9-G19 WeakPolarHBondContact CA-O 3.46Å; S10-G19 PolarHBondContact N-O 2.85Å; S10-G19 PolarHBondContact O-N 2.92Å; G19-V94 WeakPolarHBondContact CA-O 3.46Å; G19-R130 PolarHBondContact O-NH1 3.24Å
20	L	98.5	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	165.4	175	65.9	162.8	0	0	0	112.3	P6 N8 F9 P23 L32 L40 A93 V94 H95 G99	P6-L20 HydrophobicContact CB-CB 4.35Å; P6-L20 HydrophobicContact CB-CD1 3.63Å; P6-L20 HydrophobicContact CG-CD1 3.75Å; N8-L20 WeakPolarHBondContact O-CA 3.47Å; F9-L20 HydrophobicContact CB-CB 4.24Å; F9-L20 HydrophobicContact CD2-CB 4.21Å; L20-P23 HydrophobicContact CD1-CG 4.36Å; L20-L32 HydrophobicContact CD1-CD1 4.3Å; L20-L32 HydrophobicContact CD1-CD2 4.35Å; L20-L40 HydrophobicContact CD2-CD1 4.28Å; L20-A93 HydrophobicContact CD2-CB 3.67Å; L20-V94 WeakPolarHBondContact CD2-O 3.36Å; L20-V94 PolarHBondContact N-O 3Å; L20-V94 VanDerWaalsContact N-O 3.16Å; L20-H95 HydrophobicContact CD2-CB 3.94Å; L20-H95 HydrophobicContact CG-CB 3.76Å; L20-H95 WeakPolarHBondContact O-CA 3.4Å; L20-H95 WeakPolarHBondContact O-CB 3.44Å; L20-G99 WeakPolarHBondContact O-CA 3.43Å
21	A	97.8	Very high	97.2	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	-75.3	170.2	160.4	0	0	0	0	0	110.4	H7 N8 P23 H98	H7-A21 HydrophobicContact CB-CB 4.11Å; H7-A21 VanDerWaalsContact O-CB 3.28Å; H7-A21 WeakPolarHBondContact O-CB 3.47Å; H7-A21 PolarHBondContact O-N 2.98Å; N8-A21 HydrophobicContact CB-CB 4.15Å; A21-P23 WeakPolarHBondContact O-CD 2.91Å; A21-H98 WeakPolarHBondContact CB-O 3.45Å
22	M	97.6	Very high	97.1	Very high	26 Å²	26	40.3 Å²	40.3	13%	0.128	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-58.4	121.2	-179.5	-178.9	178.7	-70.3	0	0	111.6	C44 P48 C96 M97	M22-C44 HydrophobicContact CE-CB 3.83Å; M22-C44 WeakPolarHBondContact CE-SG 3.29Å; M22-P48 HydrophobicContact CG-CB 3.75Å; M22-P48 HydrophobicContact SD-CB 4.28Å; M22-C96 PolarHBondContact N-O 2.92Å; M22-M97 HydrophobicContact CB-CE 3.41Å; M22-M97 VanDerWaalsContact CB-CE 3.41Å; M22-M97 HydrophobicContact CE-CE 3.57Å; M22-M97 HydrophobicContact CE-SD 4.14Å; M22-M97 HydrophobicContact CG-CE 3.99Å; M22-M97 PolarHBondContact N-O 3.47Å; M22-M97 HydrophobicContact SD-CE 3.43Å; M22-M97 WeakPolarHBondContact SD-CE 3.41Å
23	P	96.6	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-67.1	139.6	170.9	28.4	-32.4	0	0	0	109.7	L20 A21 E28 Y29 L40 P48	L20-P23 HydrophobicContact CD1-CG 4.36Å; A21-P23 WeakPolarHBondContact O-CD 2.91Å; P23-E28 WeakPolarHBondContact CA-OE2 3.46Å; P23-E28 HydrophobicContact CB-CB 4.19Å; P23-Y29 HydrophobicContact CB-CD1 4.26Å; P23-Y29 HydrophobicContact CB-CE1 3.81Å; P23-Y29 HydrophobicContact CB-CE2 4.19Å; P23-Y29 HydrophobicContact CG-CD1 4.15Å; P23-Y29 HydrophobicContact CG-CE1 3.43Å; P23-Y29 VanDerWaalsContact CG-CE1 3.43Å; P23-Y29 PolarHBondContact O-OH 3.11Å; P23-L40 HydrophobicContact CG-CD2 4.02Å; P23-P48 HydrophobicContact CG-CB 4.28Å
24	R	95	Very high	97	Very high	147 Å²	147	42.5 Å²	42.5	56%	0.555	22%	0.219	S	C	*	.			trans	-122.3	-29.8	-177.2	-62.8	-177.4	179.3	-137.2	1	113	E28 P49 N50	R24-E28 PolarHBondContact N-OE2 3.48Å; R24-P49 HydrophobicContact CB-CG 4.38Å; R24-P49 HydrophobicContact CG-CG 4.37Å; R24-N50 PolarHBondContact O-ND2 3.41Å
25	M	95.6	Very high	96.9	Very high	109 Å²	109	40.3 Å²	40.3	54%	0.537	20%	0.202	S	C	.	.	S	Bend	trans	-108.5	144.2	-173.9	-62.5	-60.6	-70.9	0	0	111.9	S27 E28 Y29	M25-S27 PolarHBondContact O-N 3.45Å; M25-S27 VanDerWaalsContact O-N 3.12Å; M25-E28 HydrophobicContact CB-CG 4.22Å; M25-E28 PolarHBondContact N-OE2 2.86Å; M25-E28 WeakPolarHBondContact O-CB 3.5Å; M25-E28 PolarHBondContact O-N 2.95Å; M25-Y29 WeakPolarHBondContact O-CD2 3.41Å; M25-Y29 PolarHBondContact O-N 2.65Å
26	P	95.3	Very high	97	Very high	57 Å²	57	39.9 Å²	39.9	37%	0.37	20%	0.197	S	C	.	.	H	α-helix	trans	-50.9	-36.5	174.8	-30.2	37.2	0	0	0	114.2	E28 Y29 R30 N50 T53	P26-E28 VanDerWaalsContact C-N 3.29Å; P26-E28 PolarHBondContact O-N 2.76Å; P26-Y29 PolarHBondContact O-N 3.34Å; P26-R30 PolarHBondContact O-N 2.84Å; P26-N50 HydrophobicContact CG-CB 4.24Å; P26-T53 HydrophobicContact CG-CG2 4.1Å
27	S	95.8	Very high	97	Very high	36 Å²	36	35.7 Å²	35.7	25%	0.252	18%	0.179	S	C	.	.	H	α-helix	trans	-64.8	-28.5	178	51.1	0	0	0	0	113.8	M25 Y31	M25-S27 PolarHBondContact O-N 3.45Å; M25-S27 VanDerWaalsContact O-N 3.12Å; S27-Y31 PolarHBondContact O-N 3.21Å
28	E	96.8	Very high	97	Very high	30 Å²	30	39.8 Å²	39.8	14%	0.14	19%	0.194	C	C	.	.	H	α-helix	trans	-74.3	-38.9	176.6	-67.8	176	146.7	0	0	110.9	F4 P6 P23 R24 M25 P26 R30 Y31 L32	F4-E28 WeakPolarHBondContact O-CA 3.36Å; P6-E28 HydrophobicContact CB-CB 4.25Å; P6-E28 HydrophobicContact CB-CG 4.41Å; P6-E28 HydrophobicContact CG-CB 3.99Å; P23-E28 WeakPolarHBondContact CA-OE2 3.46Å; P23-E28 HydrophobicContact CB-CB 4.19Å; R24-E28 PolarHBondContact N-OE2 3.48Å; M25-E28 HydrophobicContact CB-CG 4.22Å; M25-E28 PolarHBondContact N-OE2 2.86Å; M25-E28 WeakPolarHBondContact O-CB 3.5Å; M25-E28 PolarHBondContact O-N 2.95Å; P26-E28 VanDerWaalsContact C-N 3.29Å; P26-E28 PolarHBondContact O-N 2.76Å; E28-R30 VanDerWaalsContact C-N 3.34Å; E28-Y31 WeakPolarHBondContact O-CB 3.28Å; E28-Y31 PolarHBondContact O-N 3.23Å; E28-L32 PolarHBondContact O-N 3.29Å
29	Y	96.7	Very high	97	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-40.6	171.6	-61.8	-78.5	0	0	0	111.4	P23 M25 P26 Y31 L32 L33 L40 P48 P49 N50 H51 C54 L57	P23-Y29 HydrophobicContact CB-CD1 4.26Å; P23-Y29 HydrophobicContact CB-CE1 3.81Å; P23-Y29 HydrophobicContact CB-CE2 4.19Å; P23-Y29 HydrophobicContact CG-CD1 4.15Å; P23-Y29 HydrophobicContact CG-CE1 3.43Å; P23-Y29 VanDerWaalsContact CG-CE1 3.43Å; P23-Y29 PolarHBondContact O-OH 3.11Å; M25-Y29 WeakPolarHBondContact O-CD2 3.41Å; M25-Y29 PolarHBondContact O-N 2.65Å; P26-Y29 PolarHBondContact O-N 3.34Å; Y29-Y31 VanDerWaalsContact C-N 3.31Å; Y29-Y31 PolarHBondContact O-N 3.11Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.49Å; Y29-L33 PolarHBondContact O-N 3.27Å; Y29-L40 HydrophobicContact CD1-CD2 4.17Å; Y29-L40 HydrophobicContact CE1-CD2 3.81Å; Y29-P48 HydrophobicContact CE1-CG 4.4Å; Y29-P48 VanDerWaalsContact OH-CB 3.28Å; Y29-P48 WeakPolarHBondContact OH-CB 3.33Å; Y29-P49 WeakPolarHBondContact CE2-O 3.48Å; Y29-P49 PolarHBondContact OH-O 2.89Å; Y29-N50 HydrophobicContact CE2-CB 4.2Å; Y29-H51 HydrophobicContact CE1-CB 4.13Å; Y29-C54 HydrophobicContact CG-CB 4.38Å; Y29-L57 HydrophobicContact CD1-CD2 3.8Å
30	R	96.4	Very high	97	Very high	108 Å²	108	40.4 Å²	40.4	41%	0.408	20%	0.198	S	C	.	.	H	α-helix	trans	-63.4	-39.1	175.9	-171.2	66.1	-156.5	173.8	1.1	112	P26 E28 L32 L33 D34 E56	P26-R30 PolarHBondContact O-N 2.84Å; E28-R30 VanDerWaalsContact C-N 3.34Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-L32 PolarHBondContact O-N 3.12Å; R30-L33 WeakPolarHBondContact O-CB 3.42Å; R30-L33 PolarHBondContact O-N 3.1Å; R30-L33 VanDerWaalsContact O-N 3.14Å; R30-D34 IonicContact CZ-OD1 3.11Å; R30-D34 IonicContact NE-OD1 3.4Å; R30-D34 PolarHBondContact NE-OD1 2.72Å; R30-D34 IonicContact NH2-OD1 3.92Å; R30-D34 PolarHBondContact NH2-OD1 2.8Å; R30-D34 VanDerWaalsContact NH2-OD1 3.16Å; R30-D34 PolarHBondContact O-N 3.5Å; R30-E56 IonicContact NH1-OE1 3.94Å; R30-E56 IonicContact NH1-OE2 3.91Å; R30-E56 PolarHBondContact NH1-OE2 3.26Å
31	Y	97.1	Very high	97	Very high	49 Å²	49	40.4 Å²	40.4	19%	0.192	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-42	174.1	179.4	-88.7	0	0	0	112.1	F4 P6 F9 S27 E28 Y29 L33 D34 N35	F4-Y31 WeakPolarHBondContact O-CB 3.38Å; P6-Y31 HydrophobicContact CG-CD1 4.43Å; F9-Y31 HydrophobicContact CD1-CE1 4.05Å; F9-Y31 AromaticContact CE1-CE1 3.98Å; F9-Y31 HydrophobicContact CE1-CE1 3.98Å; F9-Y31 HydrophobicContact CE2-CE1 4.48Å; F9-Y31 HydrophobicContact CG-CE1 4.35Å; F9-Y31 HydrophobicContact CZ-CE1 4.21Å; S27-Y31 PolarHBondContact O-N 3.21Å; E28-Y31 WeakPolarHBondContact O-CB 3.28Å; E28-Y31 PolarHBondContact O-N 3.23Å; Y29-Y31 VanDerWaalsContact C-N 3.31Å; Y29-Y31 PolarHBondContact O-N 3.11Å; Y31-L33 PolarHBondContact O-N 3.49Å; Y31-D34 PolarHBondContact O-N 3.36Å; Y31-N35 WeakPolarHBondContact CE1-ND2 3.41Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.34Å; Y31-N35 VanDerWaalsContact CZ-ND2 3.31Å; Y31-N35 WeakPolarHBondContact O-CB 3.33Å; Y31-N35 PolarHBondContact O-N 2.91Å; Y31-N35 VanDerWaalsContact O-N 3.07Å; Y31-N35 PolarHBondContact O-ND2 3.2Å
32	L	97.5	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-47.9	176.3	-64.3	178.8	0	0	0	111.1	P6 F9 L20 E28 Y29 R30 D34 N35 G36 V37 L40 L57 A93	P6-L32 HydrophobicContact CG-CD2 4.11Å; P6-L32 HydrophobicContact CG-CG 4.33Å; F9-L32 HydrophobicContact CD2-CD2 4.01Å; F9-L32 HydrophobicContact CE2-CD2 3.71Å; L20-L32 HydrophobicContact CD1-CD1 4.3Å; L20-L32 HydrophobicContact CD1-CD2 4.35Å; E28-L32 PolarHBondContact O-N 3.29Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.49Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-L32 PolarHBondContact O-N 3.12Å; L32-D34 PolarHBondContact O-N 2.93Å; L32-N35 CarbonylContact O-C 3.59Å; L32-N35 PolarHBondContact O-N 3.43Å; L32-G36 PolarHBondContact O-N 3.09Å; L32-V37 HydrophobicContact CB-CB 3.96Å; L32-V37 HydrophobicContact CB-CG1 4.21Å; L32-V37 HydrophobicContact CB-CG2 4.49Å; L32-V37 HydrophobicContact CD2-CG2 4.39Å; L32-V37 VanDerWaalsContact O-CB 3.26Å; L32-V37 WeakPolarHBondContact O-CB 3.48Å; L32-V37 PolarHBondContact O-N 3.39Å; L32-L40 HydrophobicContact CD1-CD1 4.04Å; L32-L57 HydrophobicContact CB-CD1 4.48Å; L32-L57 HydrophobicContact CD1-CD2 4.02Å; L32-A93 HydrophobicContact CD1-CB 4.36Å; L32-A93 HydrophobicContact CD2-CB 4.09Å
33	L	96.4	Very high	97.1	Very high	6 Å²	6	39 Å²	39	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-45.5	177.7	-70.3	-179.2	0	0	0	113	Y29 R30 Y31 N35 G36 V37 R38 C54 E56 L57	Y29-L33 PolarHBondContact O-N 3.27Å; R30-L33 WeakPolarHBondContact O-CB 3.42Å; R30-L33 PolarHBondContact O-N 3.1Å; R30-L33 VanDerWaalsContact O-N 3.14Å; Y31-L33 PolarHBondContact O-N 3.49Å; L33-N35 PolarHBondContact O-N 3.17Å; L33-G36 PolarHBondContact O-N 2.87Å; L33-V37 WeakPolarHBondContact CD2-O 3.23Å; L33-R38 PolarHBondContact O-NH1 3.31Å; L33-C54 WeakPolarHBondContact CD1-SG 3.36Å; L33-E56 HydrophobicContact CD1-CB 3.84Å; L33-E56 WeakPolarHBondContact CD1-OE2 3.38Å; L33-E56 HydrophobicContact CD2-CB 4.04Å; L33-L57 HydrophobicContact CD2-CB 4.18Å; L33-L57 HydrophobicContact CD2-CD1 4.2Å
34	D	95.9	Very high	97	Very high	81 Å²	81	39.2 Å²	39.2	43%	0.433	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-26.2	-179.8	-63.4	-20.9	0	0	0	111.1	S3 R30 Y31 L32	S3-D34 WeakPolarHBondContact CB-OD2 3.21Å; S3-D34 PolarHBondContact OG-OD2 2.62Å; R30-D34 IonicContact CZ-OD1 3.11Å; R30-D34 IonicContact NE-OD1 3.4Å; R30-D34 PolarHBondContact NE-OD1 2.72Å; R30-D34 IonicContact NH2-OD1 3.92Å; R30-D34 PolarHBondContact NH2-OD1 2.8Å; R30-D34 VanDerWaalsContact NH2-OD1 3.16Å; R30-D34 PolarHBondContact O-N 3.5Å; Y31-D34 PolarHBondContact O-N 3.36Å; L32-D34 PolarHBondContact O-N 2.93Å
35	N	96.4	Very high	97	Very high	61 Å²	61	36.5 Å²	36.5	33%	0.326	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.3	175.9	-74.5	-90.8	0	0	0	113.8	W11 Y31 L32 L33 V37	W11-N35 HydrophobicContact CZ2-CB 4.29Å; Y31-N35 WeakPolarHBondContact CE1-ND2 3.41Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.34Å; Y31-N35 VanDerWaalsContact CZ-ND2 3.31Å; Y31-N35 WeakPolarHBondContact O-CB 3.33Å; Y31-N35 PolarHBondContact O-N 2.91Å; Y31-N35 VanDerWaalsContact O-N 3.07Å; Y31-N35 PolarHBondContact O-ND2 3.2Å; L32-N35 CarbonylContact O-C 3.59Å; L32-N35 PolarHBondContact O-N 3.43Å; L33-N35 PolarHBondContact O-N 3.17Å; N35-V37 VanDerWaalsContact C-N 3.3Å; N35-V37 PolarHBondContact O-N 3.34Å
36	G	97	Very high	96.9	Very high	33 Å²	33	41.3 Å²	41.3	34%	0.34	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	5.4	174.1	0	0	0	0	0	115.3	L32 L33 G91	L32-G36 PolarHBondContact O-N 3.09Å; L33-G36 PolarHBondContact O-N 2.87Å; G36-G91 PolarHBondContact O-N 2.99Å
37	V	98.3	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.1	170.9	178.3	0	0	0	0	108.7	W11 L32 L33 N35 H39 L57 G91 A93	W11-V37 HydrophobicContact CH2-CG2 3.68Å; W11-V37 HydrophobicContact CZ2-CG2 4.27Å; W11-V37 HydrophobicContact CZ3-CG2 4.49Å; L32-V37 HydrophobicContact CB-CB 3.96Å; L32-V37 HydrophobicContact CB-CG1 4.21Å; L32-V37 HydrophobicContact CB-CG2 4.49Å; L32-V37 HydrophobicContact CD2-CG2 4.39Å; L32-V37 VanDerWaalsContact O-CB 3.26Å; L32-V37 WeakPolarHBondContact O-CB 3.48Å; L32-V37 PolarHBondContact O-N 3.39Å; L33-V37 WeakPolarHBondContact CD2-O 3.23Å; N35-V37 VanDerWaalsContact C-N 3.3Å; N35-V37 PolarHBondContact O-N 3.34Å; V37-H39 VanDerWaalsContact CG1-O 3.29Å; V37-H39 WeakPolarHBondContact CG1-O 3.34Å; V37-L57 HydrophobicContact CG1-CD1 4.02Å; V37-G91 WeakPolarHBondContact CA-O 3.48Å; V37-A93 HydrophobicContact CG1-CB 3.63Å; V37-A93 HydrophobicContact CG2-CB 4.33Å
38	R	98.3	Very high	96.9	Very high	86 Å²	86	42.5 Å²	42.5	33%	0.325	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-13.4	173.2	-63.1	-67.2	177.6	-91	2.3	113.2	L33 Q58 E90 G91	L33-R38 PolarHBondContact O-NH1 3.31Å; R38-Q58 PolarHBondContact O-N 3.45Å; R38-E90 HydrophobicContact CB-CB 4.05Å; R38-E90 HydrophobicContact CB-CG 4.22Å; R38-E90 HydrophobicContact CG-CB 4.11Å; R38-E90 HydrophobicContact CG-CG 3.95Å; R38-G91 PolarHBondContact N-O 3.45Å
39	H	98.7	Very high	96.8	Very high	13 Å²	13	44 Å²	44	6%	0.06	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.5	178.6	-55.7	-83.2	0	0	0	111.4	V37 Q58 H60 A85 E90 G91 V92 A93	V37-H39 VanDerWaalsContact CG1-O 3.29Å; V37-H39 WeakPolarHBondContact CG1-O 3.34Å; H39-Q58 WeakPolarHBondContact CA-O 3.26Å; H39-Q58 PolarHBondContact CE1-OE1 3.09Å; H39-Q58 PolarHBondContact ND1-OE1 2.94Å; H39-H60 AromaticContact CG-NE2 3.73Å; H39-H60 AromaticContact ND1-CD2 4Å; H39-H60 AromaticContact ND1-NE2 3.1Å; H39-H60 PolarHBondContact ND1-NE2 3.31Å; H39-A85 WeakPolarHBondContact CD2-CB 3.49Å; H39-E90 IonicContact NE2-OE2 3.28Å; H39-E90 PolarHBondContact NE2-OE2 2.92Å; H39-G91 PolarHBondContact N-O 3.3Å; H39-V92 HydrophobicContact CB-CG1 4.25Å; H39-V92 HydrophobicContact CB-CG2 4.08Å; H39-V92 WeakPolarHBondContact O-CA 3.36Å; H39-A93 PolarHBondContact O-N 2.88Å
40	L	98.6	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.4	173.8	-177.8	63.2	0	0	0	109.6	L20 P23 Y29 L32 P48 L57 Q58 L59 H60 A93	L20-L40 HydrophobicContact CD2-CD1 4.28Å; P23-L40 HydrophobicContact CG-CD2 4.02Å; Y29-L40 HydrophobicContact CD1-CD2 4.17Å; Y29-L40 HydrophobicContact CE1-CD2 3.81Å; L32-L40 HydrophobicContact CD1-CD1 4.04Å; L40-P48 HydrophobicContact CD2-CG 4.4Å; L40-L57 HydrophobicContact CB-CD1 4.38Å; L40-L57 HydrophobicContact CB-CD2 3.85Å; L40-L57 HydrophobicContact CB-CG 4.01Å; L40-L57 HydrophobicContact CD2-CD2 3.95Å; L40-L57 HydrophobicContact CG-CD2 4.48Å; L40-Q58 PolarHBondContact N-O 2.98Å; L40-L59 HydrophobicContact CB-CD1 4.22Å; L40-L59 HydrophobicContact CD2-CD1 3.98Å; L40-L59 HydrophobicContact CG-CD1 4.05Å; L40-L59 CarbonylContact O-C 3.6Å; L40-L59 WeakPolarHBondContact O-CA 3.28Å; L40-H60 PolarHBondContact O-N 2.96Å; L40-A93 CarbonylContact C-O 3.5Å; L40-A93 WeakPolarHBondContact CA-O 3.38Å; L40-A93 HydrophobicContact CD1-CB 3.94Å
41	V	98.8	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.3	175	-177.2	0	0	0	0	109	L43 H60 I62 F78 I81 V92 A93 V94 H95	V41-L43 HydrophobicContact CG1-CD2 3.81Å; V41-H60 CarbonylContact C-O 3.58Å; V41-H60 WeakPolarHBondContact CA-O 3.48Å; V41-H60 HydrophobicContact CG2-CB 4.26Å; V41-I62 HydrophobicContact CG1-CD1 3.93Å; V41-I62 HydrophobicContact CG1-CG1 4.24Å; V41-F78 HydrophobicContact CB-CD2 4.45Å; V41-F78 HydrophobicContact CG1-CD2 4.11Å; V41-F78 HydrophobicContact CG2-CD2 4.13Å; V41-F78 HydrophobicContact CG2-CE2 4.31Å; V41-I81 HydrophobicContact CG2-CG2 4.21Å; V41-V92 HydrophobicContact CG2-CG1 3.84Å; V41-A93 PolarHBondContact N-O 3.36Å; V41-V94 HydrophobicContact CB-CB 4.08Å; V41-V94 HydrophobicContact CB-CG2 4.03Å; V41-V94 HydrophobicContact CG1-CG2 4.11Å; V41-V94 WeakPolarHBondContact O-CA 3.32Å; V41-H95 PolarHBondContact O-CD2 2.96Å; V41-H95 PolarHBondContact O-N 2.98Å
42	C	98.5	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.1	174.3	175.5	0	0	0	0	110.4	R46 L59 H60 I62 H95	C42-R46 PolarHBondContact SG-O 3.24Å; C42-R46 VanDerWaalsContact SG-O 3.4Å; C42-L59 HydrophobicContact CB-CD1 3.97Å; C42-H60 PolarHBondContact N-O 2.87Å; C42-I62 PolarHBondContact O-N 3.27Å; C42-H95 WeakPolarHBondContact CA-NE2 3.37Å; C42-H95 VanDerWaalsContact CB-NE2 3.35Å; C42-H95 WeakPolarHBondContact CB-NE2 3.41Å; C42-H95 VanDerWaalsContact SG-CE1 3.58Å
43	L	98.4	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.			trans	-94.6	-11.1	177.7	-54.9	-177.1	0	0	0	113.7	V41 I62 I64 V94 H95 C96 R102 M106	V41-L43 HydrophobicContact CG1-CD2 3.81Å; L43-I62 VanDerWaalsContact CA-O 3.27Å; L43-I62 WeakPolarHBondContact CA-O 3.26Å; L43-I62 HydrophobicContact CD2-CB 4.2Å; L43-I64 HydrophobicContact CB-CD1 4.2Å; L43-I64 HydrophobicContact CD1-CD1 4.29Å; L43-I64 HydrophobicContact CD2-CD1 3.87Å; L43-I64 HydrophobicContact CG-CD1 4.33Å; L43-I64 PolarHBondContact O-N 3.5Å; L43-V94 HydrophobicContact CD1-CG2 3.64Å; L43-V94 HydrophobicContact CD2-CG2 4.09Å; L43-V94 HydrophobicContact CG-CG2 3.81Å; L43-H95 VanDerWaalsContact CB-O 3.25Å; L43-H95 WeakPolarHBondContact CB-O 3.37Å; L43-H95 VanDerWaalsContact CG-O 3.3Å; L43-H95 WeakPolarHBondContact CG-O 3.34Å; L43-H95 PolarHBondContact N-O 3.25Å; L43-C96 HydrophobicContact CB-CB 4.14Å; L43-R102 HydrophobicContact CB-CB 4.38Å; L43-R102 HydrophobicContact CD1-CB 3.88Å; L43-M106 HydrophobicContact CD1-CG 3.94Å; L43-M106 HydrophobicContact CD2-CE 4.25Å; L43-M106 HydrophobicContact CD2-CG 4.34Å
44	C	96.6	Very high	95.8	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.034	26%	0.256	C	S	.	.	S	Bend	trans	-74.1	161	179.9	-67.3	0	0	0	0	111.9	M22 R46 H61 M97	M22-C44 HydrophobicContact CE-CB 3.83Å; M22-C44 WeakPolarHBondContact CE-SG 3.29Å; C44-R46 WeakPolarHBondContact CB-O 3.36Å; C44-R46 PolarHBondContact O-N 3.11Å; C44-H61 PolarHBondContact O-CD2 3.04Å; C44-H61 PolarHBondContact O-NE2 3.1Å; C44-M97 PolarHBondContact SG-N 3.34Å; C44-M97 VanDerWaalsContact SG-N 3.4Å
45	E	93.2	Very high	95.6	Very high	91 Å²	91	52.8 Å²	52.8	43%	0.425	27%	0.27	S	S	.	.	S	Bend	trans	-66.7	-30.3	177.9	-63.5	88.4	152.6	0	0	111.5	H61 A65 D66 R102	E45-H61 PolarHBondContact O-CE1 3.28Å; E45-A65 WeakPolarHBondContact OE1-CA 3.26Å; E45-D66 PolarHBondContact OE1-N 3.13Å; E45-R102 IonicContact OE1-NH1 3.4Å; E45-R102 IonicContact OE2-NH1 3.53Å; E45-R102 PolarHBondContact OE2-NH1 3.48Å; E45-R102 VanDerWaalsContact OE2-NH1 3.11Å
46	R	94.4	Very high	95.6	Very high	210 Å²	210	55.6 Å²	55.6	79%	0.792	28%	0.281	S	S	*	.	S	Bend	trans	-111.9	150.6	176.7	-60.3	-178.3	70.6	174.7	1.7	110.8	C42 C44	C42-R46 PolarHBondContact SG-O 3.24Å; C42-R46 VanDerWaalsContact SG-O 3.4Å; C44-R46 WeakPolarHBondContact CB-O 3.36Å; C44-R46 PolarHBondContact O-N 3.11Å
47	K	94.8	Very high	95.6	Very high	117 Å²	117	54.7 Å²	54.7	51%	0.509	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.3	147.9	171.8	-65.4	-175.8	179.2	-179.6	0	110.2	L59	K47-L59 HydrophobicContact CB-CD2 4.29Å; K47-L59 HydrophobicContact CD-CD2 3.88Å; K47-L59 HydrophobicContact CG-CD2 4Å
48	P	95.3	Very high	95.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.2	147.3	178.3	33.2	-36.1	0	0	0	109.9	M22 P23 Y29 L40 H51 L59	M22-P48 HydrophobicContact CG-CB 3.75Å; M22-P48 HydrophobicContact SD-CB 4.28Å; P23-P48 HydrophobicContact CG-CB 4.28Å; Y29-P48 HydrophobicContact CE1-CG 4.4Å; Y29-P48 VanDerWaalsContact OH-CB 3.28Å; Y29-P48 WeakPolarHBondContact OH-CB 3.33Å; L40-P48 HydrophobicContact CD2-CG 4.4Å; P48-H51 HydrophobicContact CG-CB 4.07Å; P48-H51 WeakPolarHBondContact O-CB 3.34Å; P48-H51 PolarHBondContact O-CD2 3.07Å; P48-L59 HydrophobicContact CG-CD1 4.3Å
49	P	96	Very high	95.5	Very high	60 Å²	60	57.7 Å²	57.7	39%	0.39	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	151.4	-175.5	30.2	-35.1	0	0	0	111.3	R24 Y29 H51	R24-P49 HydrophobicContact CB-CG 4.38Å; R24-P49 HydrophobicContact CG-CG 4.37Å; Y29-P49 WeakPolarHBondContact CE2-O 3.48Å; Y29-P49 PolarHBondContact OH-O 2.89Å; P49-H51 PolarHBondContact O-N 3.39Å; P49-H51 VanDerWaalsContact O-N 3.16Å
50	N	94.6	Very high	95.5	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	15.4	180	-51.8	-51.4	0	0	0	114.9	R24 P26 Y29 D52 T53	R24-N50 PolarHBondContact O-ND2 3.41Å; P26-N50 HydrophobicContact CG-CB 4.24Å; Y29-N50 HydrophobicContact CE2-CB 4.2Å; N50-D52 VanDerWaalsContact C-OD1 3.24Å; N50-D52 WeakPolarHBondContact CA-OD1 3.4Å; N50-D52 PolarHBondContact O-N 3.29Å; N50-T53 HydrophobicContact CB-CG2 4Å; N50-T53 WeakPolarHBondContact O-CB 3.31Å; N50-T53 WeakPolarHBondContact O-CG2 3.46Å; N50-T53 PolarHBondContact O-N 3.09Å; N50-T53 VanDerWaalsContact O-N 3.11Å; N50-T53 PolarHBondContact O-OG1 3.32Å
51	H	91.6	Very high	95.5	Very high	57 Å²	57	61.4 Å²	61.4	26%	0.264	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.9	179.6	77.9	75.5	0	0	0	113.1	Y29 P48 P49 T53 L59	Y29-H51 HydrophobicContact CE1-CB 4.13Å; P48-H51 HydrophobicContact CG-CB 4.07Å; P48-H51 WeakPolarHBondContact O-CB 3.34Å; P48-H51 PolarHBondContact O-CD2 3.07Å; P49-H51 PolarHBondContact O-N 3.39Å; P49-H51 VanDerWaalsContact O-N 3.16Å; H51-T53 VanDerWaalsContact C-N 3.29Å; H51-L59 HydrophobicContact CB-CD2 4.46Å
52	D	92.4	Very high	95.4	Very high	114 Å²	114	61.6 Å²	61.6	61%	0.61	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-74.2	-18	177.9	58.4	-35.8	0	0	0	113	N50 C54	N50-D52 VanDerWaalsContact C-OD1 3.24Å; N50-D52 WeakPolarHBondContact CA-OD1 3.4Å; N50-D52 PolarHBondContact O-N 3.29Å; D52-C54 PolarHBondContact O-N 3.03Å; D52-C54 VanDerWaalsContact O-N 3.15Å
53	T	92.9	Very high	95.4	Very high	70 Å²	70	67.7 Å²	67.7	43%	0.429	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-68.6	-8.5	174.4	67.4	0	0	0	0	113.4	P26 N50 H51	P26-T53 HydrophobicContact CG-CG2 4.1Å; N50-T53 HydrophobicContact CB-CG2 4Å; N50-T53 WeakPolarHBondContact O-CB 3.31Å; N50-T53 WeakPolarHBondContact O-CG2 3.46Å; N50-T53 PolarHBondContact O-N 3.09Å; N50-T53 VanDerWaalsContact O-N 3.11Å; N50-T53 PolarHBondContact O-OG1 3.32Å; H51-T53 VanDerWaalsContact C-N 3.29Å
54	C	91.6	Very high	95.3	Very high	8 Å²	8	67.8 Å²	67.8	5%	0.054	33%	0.332	C	S	.	.			trans	-133.9	71.1	-174.7	-158.8	0	0	0	0	110.9	Y29 L33 D52 E56 L57	Y29-C54 HydrophobicContact CG-CB 4.38Å; L33-C54 WeakPolarHBondContact CD1-SG 3.36Å; D52-C54 PolarHBondContact O-N 3.03Å; D52-C54 VanDerWaalsContact O-N 3.15Å; C54-E56 PolarHBondContact O-N 3.37Å; C54-L57 HydrophobicContact CB-CB 4.4Å; C54-L57 WeakPolarHBondContact O-CB 3.49Å; C54-L57 PolarHBondContact O-N 3.5Å
55	P	92.4	Very high	95.1	Very high	111 Å²	111	70 Å²	70	72%	0.721	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.8	-173.8	27.1	-35.4	0	0	0	113.7	L57	P55-L57 PolarHBondContact O-N 3.42Å
56	E	95	Very high	94.7	Very high	120 Å²	120	69 Å²	69	56%	0.561	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	173.5	-66.7	155.2	-120.5	0	0	112.8	R30 L33 C54	R30-E56 IonicContact NH1-OE1 3.94Å; R30-E56 IonicContact NH1-OE2 3.91Å; R30-E56 PolarHBondContact NH1-OE2 3.26Å; L33-E56 HydrophobicContact CD1-CB 3.84Å; L33-E56 WeakPolarHBondContact CD1-OE2 3.38Å; L33-E56 HydrophobicContact CD2-CB 4.04Å; C54-E56 PolarHBondContact O-N 3.37Å
57	L	96.4	Very high	94.1	Very high	14 Å²	14	64.9 Å²	64.9	7%	0.073	34%	0.337	C	S	.	.	S	Bend	trans	-93.8	109.9	179.7	-172.1	72.1	0	0	0	109.9	Y29 L32 L33 V37 L40 C54 P55 L59	Y29-L57 HydrophobicContact CD1-CD2 3.8Å; L32-L57 HydrophobicContact CB-CD1 4.48Å; L32-L57 HydrophobicContact CD1-CD2 4.02Å; L33-L57 HydrophobicContact CD2-CB 4.18Å; L33-L57 HydrophobicContact CD2-CD1 4.2Å; V37-L57 HydrophobicContact CG1-CD1 4.02Å; L40-L57 HydrophobicContact CB-CD1 4.38Å; L40-L57 HydrophobicContact CB-CD2 3.85Å; L40-L57 HydrophobicContact CB-CG 4.01Å; L40-L57 HydrophobicContact CD2-CD2 3.95Å; L40-L57 HydrophobicContact CG-CD2 4.48Å; C54-L57 HydrophobicContact CB-CB 4.4Å; C54-L57 WeakPolarHBondContact O-CB 3.49Å; C54-L57 PolarHBondContact O-N 3.5Å; P55-L57 PolarHBondContact O-N 3.42Å; L57-L59 PolarHBondContact O-N 2.95Å
58	Q	97.9	Very high	94	Very high	105 Å²	105	62 Å²	62	49%	0.491	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.2	-179.9	-171.9	178.9	16.1	0	0	111.1	R38 H39 L40	R38-Q58 PolarHBondContact O-N 3.45Å; H39-Q58 WeakPolarHBondContact CA-O 3.26Å; H39-Q58 PolarHBondContact CE1-OE1 3.09Å; H39-Q58 PolarHBondContact ND1-OE1 2.94Å; L40-Q58 PolarHBondContact N-O 2.98Å
59	L	98.1	Very high	94	Very high	44 Å²	44	63.8 Å²	63.8	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123	176.6	-175.2	71.2	0	0	0	111.5	L40 C42 K47 P48 H51 L57	L40-L59 HydrophobicContact CB-CD1 4.22Å; L40-L59 HydrophobicContact CD2-CD1 3.98Å; L40-L59 HydrophobicContact CG-CD1 4.05Å; L40-L59 CarbonylContact O-C 3.6Å; L40-L59 WeakPolarHBondContact O-CA 3.28Å; C42-L59 HydrophobicContact CB-CD1 3.97Å; K47-L59 HydrophobicContact CB-CD2 4.29Å; K47-L59 HydrophobicContact CD-CD2 3.88Å; K47-L59 HydrophobicContact CG-CD2 4Å; P48-L59 HydrophobicContact CG-CD1 4.3Å; H51-L59 HydrophobicContact CB-CD2 4.46Å; L57-L59 PolarHBondContact O-N 2.95Å
60	H	98.3	Very high	94.1	Very high	34 Å²	34	61.2 Å²	61.2	16%	0.157	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.6	170.8	-59.4	-86.4	0	0	0	109.6	H39 L40 V41 C42 I81	H39-H60 AromaticContact CG-NE2 3.73Å; H39-H60 AromaticContact ND1-CD2 4Å; H39-H60 AromaticContact ND1-NE2 3.1Å; H39-H60 PolarHBondContact ND1-NE2 3.31Å; L40-H60 PolarHBondContact O-N 2.96Å; V41-H60 CarbonylContact C-O 3.58Å; V41-H60 WeakPolarHBondContact CA-O 3.48Å; V41-H60 HydrophobicContact CG2-CB 4.26Å; C42-H60 PolarHBondContact N-O 2.87Å; H60-I81 HydrophobicContact CB-CD1 3.81Å
61	H	97.8	Very high	94.2	Very high	58 Å²	58	59.8 Å²	59.8	27%	0.269	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106	-175	-164.6	-178.3	0	0	0	111.2	C44 E45 K63	C44-H61 PolarHBondContact O-CD2 3.04Å; C44-H61 PolarHBondContact O-NE2 3.1Å; E45-H61 PolarHBondContact O-CE1 3.28Å; H61-K63 WeakPolarHBondContact CE1-CE 3.3Å; H61-K63 WeakPolarHBondContact NE2-CG 3.31Å
62	I	98.1	Very high	94.5	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	33%	0.331	C	S	.	.			trans	-114.8	91.4	177.5	-54.6	-179.9	0	0	0	108.1	V41 C42 L43 I64 Q74 Q77 F78 I81 M106	V41-I62 HydrophobicContact CG1-CD1 3.93Å; V41-I62 HydrophobicContact CG1-CG1 4.24Å; C42-I62 PolarHBondContact O-N 3.27Å; L43-I62 VanDerWaalsContact CA-O 3.27Å; L43-I62 WeakPolarHBondContact CA-O 3.26Å; L43-I62 HydrophobicContact CD2-CB 4.2Å; I62-I64 PolarHBondContact O-N 3.03Å; I62-Q74 HydrophobicContact CG2-CB 3.74Å; I62-Q74 HydrophobicContact CG2-CG 3.71Å; I62-Q77 HydrophobicContact CD1-CB 4.35Å; I62-Q77 HydrophobicContact CD1-CG 4.01Å; I62-Q77 HydrophobicContact CG1-CG 4.48Å; I62-F78 HydrophobicContact CD1-CB 3.94Å; I62-I81 HydrophobicContact CD1-CD1 4.08Å; I62-M106 HydrophobicContact CG2-CE 4.43Å
63	K	97.6	Very high	94.8	Very high	129 Å²	129	59.2 Å²	59.2	56%	0.561	33%	0.329	S	S	*	.			trans	-70	117.7	-172.5	-65.6	173.3	-177.7	174.7	0	111.9	H61 Q74	H61-K63 WeakPolarHBondContact CE1-CE 3.3Å; H61-K63 WeakPolarHBondContact NE2-CG 3.31Å; K63-Q74 PolarHBondContact O-NE2 3.45Å
64	I	95.5	Very high	95	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.317	C	S	.	.			trans	-123.2	126.9	173.1	-55.4	163.3	0	0	0	107.4	L43 I62 P70 R102 M106	L43-I64 HydrophobicContact CB-CD1 4.2Å; L43-I64 HydrophobicContact CD1-CD1 4.29Å; L43-I64 HydrophobicContact CD2-CD1 3.87Å; L43-I64 HydrophobicContact CG-CD1 4.33Å; L43-I64 PolarHBondContact O-N 3.5Å; I62-I64 PolarHBondContact O-N 3.03Å; I64-P70 HydrophobicContact CD1-CB 3.75Å; I64-P70 HydrophobicContact CG1-CB 4.45Å; I64-R102 HydrophobicContact CB-CG 4.3Å; I64-R102 HydrophobicContact CG2-CG 3.9Å; I64-R102 PolarHBondContact O-NH1 2.91Å; I64-M106 HydrophobicContact CD1-CE 3.83Å
65	A	92.8	Very high	95.4	Very high	52 Å²	52	57.6 Å²	57.6	43%	0.43	32%	0.316	S	S	.	.			trans	-57.9	146.6	177.4	0	0	0	0	0	110.9	E45 T68	E45-A65 WeakPolarHBondContact OE1-CA 3.26Å; A65-T68 HydrophobicContact CB-CG2 3.97Å; A65-T68 PolarHBondContact O-N 3.3Å; A65-T68 PolarHBondContact O-OG1 3.23Å
66	D	84.3	Confident	95.6	Very high	68 Å²	68	55.7 Å²	55.7	36%	0.364	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	145.6	179.1	-151.9	10	0	0	0	112.6	E45 T68 R102	E45-D66 PolarHBondContact OE1-N 3.13Å; D66-T68 PolarHBondContact O-N 3.43Å; D66-R102 IonicContact OD1-CZ 3.2Å; D66-R102 VanDerWaalsContact OD1-CZ 3.24Å; D66-R102 IonicContact OD1-NE 3.16Å; D66-R102 PolarHBondContact OD1-NE 2.99Å; D66-R102 IonicContact OD1-NH2 2.85Å; D66-R102 PolarHBondContact OD1-NH2 3.24Å; D66-R102 IonicContact OD2-NH2 2.67Å
67	F	83.7	Confident	95.8	Very high	124 Å²	124	54.4 Å²	54.4	54%	0.544	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	7.2	-175.3	-59.2	-79.9	0	0	0	117	T136	F67-T136 HydrophobicContact CD1-CG2 4.42Å
68	T	92.6	Very high	95.9	Very high	56 Å²	56	53.7 Å²	53.7	34%	0.344	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-100.6	156.7	175	71.8	0	0	0	0	112.3	A65 D66 Q139	A65-T68 HydrophobicContact CB-CG2 3.97Å; A65-T68 PolarHBondContact O-N 3.3Å; A65-T68 PolarHBondContact O-OG1 3.23Å; D66-T68 PolarHBondContact O-N 3.43Å; T68-Q139 PolarHBondContact O-NE2 3.06Å
69	P	94.9	Very high	95.9	Very high	40 Å²	40	48.9 Å²	48.9	26%	0.26	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-74.1	154.8	170.5	30.8	-35.5	0	0	0	111.8	E138 Q139 A142	P69-E138 HydrophobicContact CG-CB 4.14Å; P69-Q139 HydrophobicContact CB-CG 4.3Å; P69-A142 HydrophobicContact CB-CB 3.66Å
70	P	97.2	Very high	96	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.032	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.7	146.3	165.1	28.5	-32.3	0	0	0	111.2	I64 Q74 I75 T105 M106	I64-P70 HydrophobicContact CD1-CB 3.75Å; I64-P70 HydrophobicContact CG1-CB 4.45Å; P70-Q74 HydrophobicContact CB-CB 4.27Å; P70-I75 HydrophobicContact CB-CG1 3.89Å; P70-I75 HydrophobicContact CG-CD1 4.09Å; P70-I75 HydrophobicContact CG-CG1 3.77Å; P70-T105 HydrophobicContact CG-CG2 3.77Å; P70-M106 HydrophobicContact CB-CE 3.57Å; P70-M106 HydrophobicContact CB-SD 4.2Å; P70-M106 HydrophobicContact CG-CE 4.24Å; P70-M106 HydrophobicContact CG-SD 4.24Å
71	S	97.9	Very high	96	Very high	41 Å²	41	50 Å²	50	29%	0.287	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-72.2	160.4	170.7	79.8	0	0	0	0	111.6	S73 Q74 I75	S71-S73 VanDerWaalsContact C-N 3.29Å; S71-S73 PolarHBondContact O-N 3.28Å; S71-S73 PolarHBondContact OG-OG 3.08Å; S71-S73 VanDerWaalsContact OG-OG 3.05Å; S71-Q74 WeakPolarHBondContact O-CB 3.42Å; S71-Q74 PolarHBondContact O-N 2.83Å; S71-Q74 VanDerWaalsContact O-N 3.08Å; S71-Q74 VanDerWaalsContact OG-CG 3.26Å; S71-Q74 WeakPolarHBondContact OG-CG 3.44Å; S71-Q74 PolarHBondContact OG-N 3.2Å; S71-Q74 PolarHBondContact OG-OE1 2.94Å; S71-I75 WeakPolarHBondContact O-CG1 3.37Å; S71-I75 PolarHBondContact O-N 3.49Å
72	P	97.4	Very high	96	Very high	77 Å²	77	47.3 Å²	47.3	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-47.8	-47.2	172.4	-34.9	40.5	0	0	0	114.4	Q74 I75 D76	P72-Q74 VanDerWaalsContact C-N 3.34Å; P72-Q74 PolarHBondContact O-N 2.98Å; P72-I75 PolarHBondContact O-N 3.45Å; P72-D76 PolarHBondContact O-N 3.05Å
73	S	97.7	Very high	96	Very high	82 Å²	82	51.4 Å²	51.4	57%	0.573	29%	0.287	S	S	*	.	H	α-helix	trans	-68.6	-32.6	-179.2	54.6	0	0	0	0	112.8	S71 D76 Q77	S71-S73 VanDerWaalsContact C-N 3.29Å; S71-S73 PolarHBondContact O-N 3.28Å; S71-S73 PolarHBondContact OG-OG 3.08Å; S71-S73 VanDerWaalsContact OG-OG 3.05Å; S73-D76 PolarHBondContact O-N 3.23Å; S73-Q77 WeakPolarHBondContact O-CB 3.5Å; S73-Q77 PolarHBondContact O-N 3.1Å
74	Q	98.5	Very high	96.1	Very high	40 Å²	40	46.8 Å²	46.8	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-39	175.2	-70.8	173.9	-32.4	0	0	111.7	I62 K63 P70 S71 P72 F78 M106	I62-Q74 HydrophobicContact CG2-CB 3.74Å; I62-Q74 HydrophobicContact CG2-CG 3.71Å; K63-Q74 PolarHBondContact O-NE2 3.45Å; P70-Q74 HydrophobicContact CB-CB 4.27Å; S71-Q74 WeakPolarHBondContact O-CB 3.42Å; S71-Q74 PolarHBondContact O-N 2.83Å; S71-Q74 VanDerWaalsContact O-N 3.08Å; S71-Q74 VanDerWaalsContact OG-CG 3.26Å; S71-Q74 WeakPolarHBondContact OG-CG 3.44Å; S71-Q74 PolarHBondContact OG-N 3.2Å; S71-Q74 PolarHBondContact OG-OE1 2.94Å; P72-Q74 VanDerWaalsContact C-N 3.34Å; P72-Q74 PolarHBondContact O-N 2.98Å; Q74-F78 WeakPolarHBondContact O-CB 3.35Å; Q74-F78 PolarHBondContact O-N 3.44Å; Q74-M106 HydrophobicContact CB-CE 4.15Å
75	I	98.5	Very high	96.2	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-48.4	173.5	-62	165.2	0	0	0	109.5	P70 S71 P72 Q77 F78 L79 M106 C109 F146	P70-I75 HydrophobicContact CB-CG1 3.89Å; P70-I75 HydrophobicContact CG-CD1 4.09Å; P70-I75 HydrophobicContact CG-CG1 3.77Å; S71-I75 WeakPolarHBondContact O-CG1 3.37Å; S71-I75 PolarHBondContact O-N 3.49Å; P72-I75 PolarHBondContact O-N 3.45Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 2.9Å; I75-F78 PolarHBondContact O-N 3.28Å; I75-L79 HydrophobicContact CG2-CD1 3.76Å; I75-L79 HydrophobicContact CG2-CG 4.31Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.29Å; I75-L79 PolarHBondContact O-N 3.37Å; I75-M106 HydrophobicContact CG1-SD 4.24Å; I75-C109 HydrophobicContact CG2-CB 3.65Å; I75-F146 HydrophobicContact CB-CD2 4.48Å; I75-F146 HydrophobicContact CD1-CB 4.46Å; I75-F146 HydrophobicContact CD1-CD2 4.4Å; I75-F146 HydrophobicContact CG2-CD2 3.66Å; I75-F146 HydrophobicContact CG2-CE2 3.57Å; I75-F146 HydrophobicContact CG2-CG 4.24Å; I75-F146 HydrophobicContact CG2-CZ 4.1Å
76	D	98.1	Very high	96.5	Very high	70 Å²	70	46 Å²	46	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-41.9	-179.2	-63.1	-19.3	0	0	0	111.8	P72 S73 L79 S80 R149	P72-D76 PolarHBondContact O-N 3.05Å; S73-D76 PolarHBondContact O-N 3.23Å; D76-L79 PolarHBondContact O-N 2.97Å; D76-S80 WeakPolarHBondContact O-CB 3.26Å; D76-S80 PolarHBondContact O-N 3.49Å; D76-R149 IonicContact OD1-CZ 3.66Å; D76-R149 IonicContact OD1-NH2 3.54Å; D76-R149 PolarHBondContact OD1-NH2 3.21Å; D76-R149 IonicContact OD2-CZ 3.24Å; D76-R149 IonicContact OD2-NH2 2.8Å; D76-R149 PolarHBondContact OD2-NH2 3.16Å
77	Q	98.6	Very high	97.1	Very high	93 Å²	93	47.5 Å²	47.5	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-47.6	174.3	-177.9	-175.2	-1.3	0	0	111.5	I62 S73 I75 L79 S80 I81	I62-Q77 HydrophobicContact CD1-CB 4.35Å; I62-Q77 HydrophobicContact CD1-CG 4.01Å; I62-Q77 HydrophobicContact CG1-CG 4.48Å; S73-Q77 WeakPolarHBondContact O-CB 3.5Å; S73-Q77 PolarHBondContact O-N 3.1Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 2.9Å; Q77-L79 PolarHBondContact O-N 2.94Å; Q77-S80 PolarHBondContact O-N 3.41Å; Q77-I81 HydrophobicContact CG-CD1 4.2Å; Q77-I81 WeakPolarHBondContact O-CG1 3.41Å; Q77-I81 PolarHBondContact O-N 3.42Å; Q77-I81 VanDerWaalsContact O-N 3.1Å
78	F	98.8	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-47.7	177.8	165.9	-109.7	0	0	0	111.6	L17 V41 I62 Q74 I75 S80 I81 V82 V94 M106	L17-F78 HydrophobicContact CD1-CE2 4.36Å; L17-F78 HydrophobicContact CD1-CZ 4Å; L17-F78 HydrophobicContact CD2-CZ 4.13Å; V41-F78 HydrophobicContact CB-CD2 4.45Å; V41-F78 HydrophobicContact CG1-CD2 4.11Å; V41-F78 HydrophobicContact CG2-CD2 4.13Å; V41-F78 HydrophobicContact CG2-CE2 4.31Å; I62-F78 HydrophobicContact CD1-CB 3.94Å; Q74-F78 WeakPolarHBondContact O-CB 3.35Å; Q74-F78 PolarHBondContact O-N 3.44Å; I75-F78 PolarHBondContact O-N 3.28Å; F78-S80 VanDerWaalsContact C-N 3.34Å; F78-S80 PolarHBondContact O-N 3.22Å; F78-I81 WeakPolarHBondContact O-CB 3.34Å; F78-I81 PolarHBondContact O-N 2.91Å; F78-V82 HydrophobicContact CD2-CG2 4.1Å; F78-V82 HydrophobicContact CE1-CG2 4.27Å; F78-V82 HydrophobicContact CE2-CG2 3.6Å; F78-V82 HydrophobicContact CZ-CG2 3.71Å; F78-V82 WeakPolarHBondContact O-CG2 3.49Å; F78-V82 PolarHBondContact O-N 2.88Å; F78-V94 HydrophobicContact CE2-CB 3.9Å; F78-V94 HydrophobicContact CE2-CG1 4.11Å; F78-V94 HydrophobicContact CE2-CG2 4.08Å; F78-V94 HydrophobicContact CZ-CB 4.43Å; F78-V94 HydrophobicContact CZ-CG1 4.14Å; F78-M106 HydrophobicContact CB-CE 3.92Å; F78-M106 HydrophobicContact CB-SD 3.74Å; F78-M106 HydrophobicContact CD1-CB 3.93Å; F78-M106 HydrophobicContact CD1-CG 4.23Å; F78-M106 HydrophobicContact CD1-SD 3.6Å; F78-M106 HydrophobicContact CE1-CB 3.76Å; F78-M106 WeakPolarHBondContact CE1-O 3.48Å; F78-M106 HydrophobicContact CE1-SD 4.39Å; F78-M106 HydrophobicContact CG-CB 4.39Å; F78-M106 HydrophobicContact CG-CE 4.41Å; F78-M106 HydrophobicContact CG-CG 4.34Å; F78-M106 HydrophobicContact CG-SD 3.73Å; F78-M106 HydrophobicContact CZ-CB 4.07Å
79	L	98.4	Very high	98	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-37.1	-178.9	-65.2	172.6	0	0	0	112.1	I75 D76 Q77 V82 E83 Y110 K113 F146	I75-L79 HydrophobicContact CG2-CD1 3.76Å; I75-L79 HydrophobicContact CG2-CG 4.31Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.29Å; I75-L79 PolarHBondContact O-N 3.37Å; D76-L79 PolarHBondContact O-N 2.97Å; Q77-L79 PolarHBondContact O-N 2.94Å; L79-V82 PolarHBondContact O-N 2.77Å; L79-E83 WeakPolarHBondContact O-CB 3.25Å; L79-E83 WeakPolarHBondContact O-CG 3.24Å; L79-E83 PolarHBondContact O-N 3.47Å; L79-Y110 HydrophobicContact CD2-CD2 4.13Å; L79-K113 HydrophobicContact CB-CD 4.34Å; L79-K113 HydrophobicContact CD1-CB 4.38Å; L79-K113 HydrophobicContact CD1-CD 3.81Å; L79-K113 HydrophobicContact CG-CD 4.48Å; L79-F146 HydrophobicContact CD1-CE1 4.11Å; L79-F146 HydrophobicContact CD1-CE2 3.91Å; L79-F146 HydrophobicContact CD1-CZ 3.34Å
80	S	98.5	Very high	98.2	Very high	77 Å²	77	50.1 Å²	50.1	54%	0.538	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-42.2	173.9	-178.5	0	0	0	0	112.2	D76 Q77 F78 E83 G84	D76-S80 WeakPolarHBondContact O-CB 3.26Å; D76-S80 PolarHBondContact O-N 3.49Å; Q77-S80 PolarHBondContact O-N 3.41Å; F78-S80 VanDerWaalsContact C-N 3.34Å; F78-S80 PolarHBondContact O-N 3.22Å; S80-E83 PolarHBondContact O-N 3.02Å; S80-G84 PolarHBondContact O-N 3.2Å
81	I	98.7	Very high	98.3	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.128	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-47.2	174.5	-68.1	159.3	0	0	0	110.6	V41 H60 I62 Q77 F78 E83 G84 A85	V41-I81 HydrophobicContact CG2-CG2 4.21Å; H60-I81 HydrophobicContact CB-CD1 3.81Å; I62-I81 HydrophobicContact CD1-CD1 4.08Å; Q77-I81 HydrophobicContact CG-CD1 4.2Å; Q77-I81 WeakPolarHBondContact O-CG1 3.41Å; Q77-I81 PolarHBondContact O-N 3.42Å; Q77-I81 VanDerWaalsContact O-N 3.1Å; F78-I81 WeakPolarHBondContact O-CB 3.34Å; F78-I81 PolarHBondContact O-N 2.91Å; I81-E83 PolarHBondContact O-N 2.74Å; I81-G84 PolarHBondContact O-N 3.24Å; I81-A85 WeakPolarHBondContact O-CB 3.47Å; I81-A85 PolarHBondContact O-N 2.93Å
82	V	98.6	Very high	98.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-42.3	-179.1	175.6	0	0	0	0	111.6	L17 F78 L79 N86 V92 Y110	L17-V82 HydrophobicContact CD1-CG1 4.48Å; L17-V82 HydrophobicContact CD1-CG2 3.95Å; F78-V82 HydrophobicContact CD2-CG2 4.1Å; F78-V82 HydrophobicContact CE1-CG2 4.27Å; F78-V82 HydrophobicContact CE2-CG2 3.6Å; F78-V82 HydrophobicContact CZ-CG2 3.71Å; F78-V82 WeakPolarHBondContact O-CG2 3.49Å; F78-V82 PolarHBondContact O-N 2.88Å; L79-V82 PolarHBondContact O-N 2.77Å; V82-N86 VanDerWaalsContact CG1-ND2 3.26Å; V82-N86 WeakPolarHBondContact CG1-ND2 3.4Å; V82-N86 VanDerWaalsContact O-CB 3.24Å; V82-N86 WeakPolarHBondContact O-CB 3.35Å; V82-N86 PolarHBondContact O-N 3.3Å; V82-N86 PolarHBondContact O-ND2 2.85Å; V82-N86 VanDerWaalsContact O-ND2 3.09Å; V82-V92 HydrophobicContact CG2-CB 4.18Å; V82-V92 HydrophobicContact CG2-CG1 4.01Å; V82-V92 HydrophobicContact CG2-CG2 4.3Å; V82-Y110 HydrophobicContact CG1-CD2 3.83Å; V82-Y110 HydrophobicContact CG1-CE2 3.56Å
83	E	98.3	Very high	98.4	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-45.3	178.1	-75.6	168.3	179.3	0	0	112.2	L79 S80 I81 A85 N86 S87 K113	L79-E83 WeakPolarHBondContact O-CB 3.25Å; L79-E83 WeakPolarHBondContact O-CG 3.24Å; L79-E83 PolarHBondContact O-N 3.47Å; S80-E83 PolarHBondContact O-N 3.02Å; I81-E83 PolarHBondContact O-N 2.74Å; E83-A85 PolarHBondContact O-N 3.35Å; E83-N86 PolarHBondContact O-N 3.11Å; E83-S87 WeakPolarHBondContact O-CB 3.49Å; E83-S87 PolarHBondContact O-N 2.67Å; E83-K113 WeakPolarHBondContact OE1-CD 3.47Å; E83-K113 WeakPolarHBondContact OE1-CE 3.42Å; E83-K113 IonicContact OE1-NZ 3.61Å; E83-K113 PolarHBondContact OE1-NZ 3.25Å; E83-K113 IonicContact OE2-NZ 3.93Å; E83-K113 PolarHBondContact OE2-NZ 3.07Å
84	G	98.4	Very high	98.4	Very high	32 Å²	32	40.4 Å²	40.4	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-58.4	-46.9	176.2	0	0	0	0	0	112.7	S80 I81 S87	S80-G84 PolarHBondContact O-N 3.2Å; I81-G84 PolarHBondContact O-N 3.24Å; G84-S87 PolarHBondContact O-OG 2.84Å
85	A	98.4	Very high	98.4	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-52.4	175.8	0	0	0	0	0	112.2	H39 I81 E83 S87 K88 G89 E90 V92	H39-A85 WeakPolarHBondContact CD2-CB 3.49Å; I81-A85 WeakPolarHBondContact O-CB 3.47Å; I81-A85 PolarHBondContact O-N 2.93Å; E83-A85 PolarHBondContact O-N 3.35Å; A85-S87 VanDerWaalsContact C-N 3.26Å; A85-S87 PolarHBondContact O-N 2.85Å; A85-K88 WeakPolarHBondContact O-CB 3.37Å; A85-K88 PolarHBondContact O-N 2.77Å; A85-G89 PolarHBondContact O-N 2.95Å; A85-E90 CarbonylContact C-O 3.28Å; A85-E90 VanDerWaalsContact C-O 3.28Å; A85-E90 HydrophobicContact CB-CB 4.32Å; A85-E90 WeakPolarHBondContact O-CB 3.46Å; A85-E90 PolarHBondContact O-N 3.02Å; A85-V92 HydrophobicContact CB-CG2 3.29Å
86	N	98.4	Very high	98.3	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-33.9	-176.6	-72.8	-24.8	0	0	0	112.3	K16 V82 E83 K88 G89 E90	K16-N86 VanDerWaalsContact CA-OD1 3.28Å; K16-N86 WeakPolarHBondContact CA-OD1 3.37Å; K16-N86 WeakPolarHBondContact CB-OD1 3.29Å; K16-N86 PolarHBondContact O-OD1 3.43Å; V82-N86 VanDerWaalsContact CG1-ND2 3.26Å; V82-N86 WeakPolarHBondContact CG1-ND2 3.4Å; V82-N86 VanDerWaalsContact O-CB 3.24Å; V82-N86 WeakPolarHBondContact O-CB 3.35Å; V82-N86 PolarHBondContact O-N 3.3Å; V82-N86 PolarHBondContact O-ND2 2.85Å; V82-N86 VanDerWaalsContact O-ND2 3.09Å; E83-N86 PolarHBondContact O-N 3.11Å; N86-K88 PolarHBondContact O-N 3.12Å; N86-G89 PolarHBondContact O-N 2.97Å; N86-E90 PolarHBondContact N-O 3.38Å; N86-E90 PolarHBondContact OD1-O 2.9Å
87	S	98.1	Very high	98.3	Very high	98 Å²	98	37.5 Å²	37.5	69%	0.685	22%	0.223	S	C	*	.	H	α-helix	trans	-61.9	-21.6	175.3	74.5	0	0	0	0	114	E83 G84 A85	E83-S87 WeakPolarHBondContact O-CB 3.49Å; E83-S87 PolarHBondContact O-N 2.67Å; G84-S87 PolarHBondContact O-OG 2.84Å; A85-S87 VanDerWaalsContact C-N 3.26Å; A85-S87 PolarHBondContact O-N 2.85Å
88	K	97.8	Very high	98.1	Very high	150 Å²	150	38.5 Å²	38.5	65%	0.652	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	3.2	175.7	-60.3	171.8	-175.2	174.6	0	112.7	A85 N86 E90	A85-K88 WeakPolarHBondContact O-CB 3.37Å; A85-K88 PolarHBondContact O-N 2.77Å; N86-K88 PolarHBondContact O-N 3.12Å; K88-E90 VanDerWaalsContact C-N 3.29Å; K88-E90 HydrophobicContact CB-CG 4Å; K88-E90 WeakPolarHBondContact CD-OE2 3.39Å
89	G	97.9	Very high	98	Very high	71 Å²	71	38.5 Å²	38.5	73%	0.732	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	21.4	-172.8	0	0	0	0	0	113.6	A85 N86	A85-G89 PolarHBondContact O-N 2.95Å; N86-G89 PolarHBondContact O-N 2.97Å
90	E	98.4	Very high	97.8	Very high	54 Å²	54	40.6 Å²	40.6	25%	0.252	24%	0.237	S	C	.	.			trans	-101.4	131.9	-178.1	-63.1	177.3	139.1	0	0	111	R38 H39 A85 N86 K88	R38-E90 HydrophobicContact CB-CB 4.05Å; R38-E90 HydrophobicContact CB-CG 4.22Å; R38-E90 HydrophobicContact CG-CB 4.11Å; R38-E90 HydrophobicContact CG-CG 3.95Å; H39-E90 IonicContact NE2-OE2 3.28Å; H39-E90 PolarHBondContact NE2-OE2 2.92Å; A85-E90 CarbonylContact C-O 3.28Å; A85-E90 VanDerWaalsContact C-O 3.28Å; A85-E90 HydrophobicContact CB-CB 4.32Å; A85-E90 WeakPolarHBondContact O-CB 3.46Å; A85-E90 PolarHBondContact O-N 3.02Å; N86-E90 PolarHBondContact N-O 3.38Å; N86-E90 PolarHBondContact OD1-O 2.9Å; K88-E90 VanDerWaalsContact C-N 3.29Å; K88-E90 HydrophobicContact CB-CG 4Å; K88-E90 WeakPolarHBondContact CD-OE2 3.39Å
91	G	98.5	Very high	97.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	150.9	177.8	0	0	0	0	0	113.1	G15 G36 V37 R38 H39	G15-G91 WeakPolarHBondContact O-CA 3.48Å; G36-G91 PolarHBondContact O-N 2.99Å; V37-G91 WeakPolarHBondContact CA-O 3.48Å; R38-G91 PolarHBondContact N-O 3.45Å; H39-G91 PolarHBondContact N-O 3.3Å
92	V	98.9	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.5	174.2	-173.7	0	0	0	0	111	K16 L17 A18 H39 V41 V82 A85	K16-V92 PolarHBondContact O-N 2.99Å; L17-V92 CarbonylContact C-O 3.56Å; L17-V92 WeakPolarHBondContact CA-O 3.24Å; L17-V92 HydrophobicContact CD1-CB 4.05Å; L17-V92 HydrophobicContact CD1-CG1 4.23Å; A18-V92 PolarHBondContact N-O 3.42Å; H39-V92 HydrophobicContact CB-CG1 4.25Å; H39-V92 HydrophobicContact CB-CG2 4.08Å; H39-V92 WeakPolarHBondContact O-CA 3.36Å; V41-V92 HydrophobicContact CG2-CG1 3.84Å; V82-V92 HydrophobicContact CG2-CB 4.18Å; V82-V92 HydrophobicContact CG2-CG1 4.01Å; V82-V92 HydrophobicContact CG2-CG2 4.3Å; A85-V92 HydrophobicContact CB-CG2 3.29Å
93	A	98.7	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.2	172.7	0	0	0	0	0	109.5	A18 L20 L32 V37 H39 L40 V41	A18-A93 WeakPolarHBondContact O-CA 3.42Å; L20-A93 HydrophobicContact CD2-CB 3.67Å; L32-A93 HydrophobicContact CD1-CB 4.36Å; L32-A93 HydrophobicContact CD2-CB 4.09Å; V37-A93 HydrophobicContact CG1-CB 3.63Å; V37-A93 HydrophobicContact CG2-CB 4.33Å; H39-A93 PolarHBondContact O-N 2.88Å; L40-A93 CarbonylContact C-O 3.5Å; L40-A93 WeakPolarHBondContact CA-O 3.38Å; L40-A93 HydrophobicContact CD1-CB 3.94Å; V41-A93 PolarHBondContact N-O 3.36Å
94	V	98.8	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.1	178.4	55.8	0	0	0	0	112	L17 A18 G19 L20 V41 L43 F78 T103 L107	L17-V94 HydrophobicContact CD1-CG1 4.32Å; A18-V94 WeakPolarHBondContact O-CG1 3.31Å; A18-V94 PolarHBondContact O-N 3.21Å; G19-V94 WeakPolarHBondContact CA-O 3.46Å; L20-V94 WeakPolarHBondContact CD2-O 3.36Å; L20-V94 PolarHBondContact N-O 3Å; L20-V94 VanDerWaalsContact N-O 3.16Å; V41-V94 HydrophobicContact CB-CB 4.08Å; V41-V94 HydrophobicContact CB-CG2 4.03Å; V41-V94 HydrophobicContact CG1-CG2 4.11Å; V41-V94 WeakPolarHBondContact O-CA 3.32Å; L43-V94 HydrophobicContact CD1-CG2 3.64Å; L43-V94 HydrophobicContact CD2-CG2 4.09Å; L43-V94 HydrophobicContact CG-CG2 3.81Å; F78-V94 HydrophobicContact CE2-CB 3.9Å; F78-V94 HydrophobicContact CE2-CG1 4.11Å; F78-V94 HydrophobicContact CE2-CG2 4.08Å; F78-V94 HydrophobicContact CZ-CB 4.43Å; F78-V94 HydrophobicContact CZ-CG1 4.14Å; V94-T103 HydrophobicContact CG1-CG2 4.28Å; V94-T103 WeakPolarHBondContact O-CG2 3.27Å; V94-L107 HydrophobicContact CG1-CD2 3.6Å; V94-L107 HydrophobicContact CG1-CG 4.06Å
95	H	98.4	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.6	-176.8	86.1	87	0	0	0	113	L20 V41 C42 L43 T103	L20-H95 HydrophobicContact CD2-CB 3.94Å; L20-H95 HydrophobicContact CG-CB 3.76Å; L20-H95 WeakPolarHBondContact O-CA 3.4Å; L20-H95 WeakPolarHBondContact O-CB 3.44Å; V41-H95 PolarHBondContact O-CD2 2.96Å; V41-H95 PolarHBondContact O-N 2.98Å; C42-H95 WeakPolarHBondContact CA-NE2 3.37Å; C42-H95 VanDerWaalsContact CB-NE2 3.35Å; C42-H95 WeakPolarHBondContact CB-NE2 3.41Å; C42-H95 VanDerWaalsContact SG-CE1 3.58Å; L43-H95 VanDerWaalsContact CB-O 3.25Å; L43-H95 WeakPolarHBondContact CB-O 3.37Å; L43-H95 VanDerWaalsContact CG-O 3.3Å; L43-H95 WeakPolarHBondContact CG-O 3.34Å; L43-H95 PolarHBondContact N-O 3.25Å; H95-T103 WeakPolarHBondContact CA-OG1 3.25Å
96	C	96.6	Very high	97.7	Very high	4 Å²	4	30 Å²	30	3%	0.027	17%	0.17	C	C	.	.			trans	-114.9	-140.8	160.6	65.7	0	0	0	0	108.3	M22 L43 G99 R102 T103	M22-C96 PolarHBondContact N-O 2.92Å; L43-C96 HydrophobicContact CB-CB 4.14Å; C96-G99 PolarHBondContact SG-N 2.9Å; C96-R102 HydrophobicContact CB-CB 3.78Å; C96-T103 PolarHBondContact N-OG1 2.98Å; C96-T103 PolarHBondContact SG-OG1 2.95Å; C96-T103 VanDerWaalsContact SG-OG1 3.39Å
97	M	96.1	Very high	97.7	Very high	50 Å²	50	28.3 Å²	28.3	25%	0.246	16%	0.16	C	C	.	.	S	Bend	trans	-73.5	-57.5	176.7	-167.7	70	-87.1	0	0	111.3	M22 C44	M22-M97 HydrophobicContact CB-CE 3.41Å; M22-M97 VanDerWaalsContact CB-CE 3.41Å; M22-M97 HydrophobicContact CE-CE 3.57Å; M22-M97 HydrophobicContact CE-SD 4.14Å; M22-M97 HydrophobicContact CG-CE 3.99Å; M22-M97 PolarHBondContact N-O 3.47Å; M22-M97 HydrophobicContact SD-CE 3.43Å; M22-M97 WeakPolarHBondContact SD-CE 3.41Å; C44-M97 PolarHBondContact SG-N 3.34Å; C44-M97 VanDerWaalsContact SG-N 3.4Å
98	H	96	Very high	97.8	Very high	114 Å²	114	23.6 Å²	23.6	53%	0.528	13%	0.128	S	C	.	.	S	Bend	trans	-107.8	-7.5	-175.5	-56.4	109.8	0	0	0	114.1	N8 A21	N8-H98 PolarHBondContact ND2-O 3.38Å; A21-H98 WeakPolarHBondContact CB-O 3.45Å
99	G	95.3	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	79.8	23.5	180	0	0	0	0	0	115	N8 L20 C96 R130	N8-G99 PolarHBondContact ND2-O 3.08Å; L20-G99 WeakPolarHBondContact O-CA 3.43Å; C96-G99 PolarHBondContact SG-N 2.9Å; G99-R130 PolarHBondContact O-NH2 3.35Å
100	H	95.6	Very high	97.8	Very high	47 Å²	47	13.8 Å²	13.8	22%	0.218	7%	0.065	C	C	.	.	S	Bend	trans	-108.2	-78.7	-176.6	-68.1	-64	0	0	0	113.9	N8 G104 S133 I134 E135	N8-H100 PolarHBondContact ND2-CE1 2.86Å; N8-H100 PolarHBondContact ND2-NE2 3.31Å; H100-G104 VanDerWaalsContact O-CA 3.24Å; H100-G104 WeakPolarHBondContact O-CA 3.41Å; H100-G104 PolarHBondContact O-N 3.31Å; H100-S133 WeakPolarHBondContact O-CA 3.36Å; H100-S133 PolarHBondContact O-OG 2.89Å; H100-I134 PolarHBondContact O-N 3.18Å; H100-E135 HydrophobicContact CB-CG 4.04Å
101	G	96.4	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.8	-74.2	-170.6	0	0	0	0	0	114.1	T103 G104 T105 E135 Q139	G101-T103 VanDerWaalsContact C-N 3.32Å; G101-T103 PolarHBondContact O-N 3.38Å; G101-G104 PolarHBondContact O-N 3.01Å; G101-T105 WeakPolarHBondContact O-CB 3.49Å; G101-T105 PolarHBondContact O-N 3.46Å; G101-T105 PolarHBondContact O-OG1 3.28Å; G101-E135 WeakPolarHBondContact CA-OE2 3.17Å; G101-E135 PolarHBondContact N-OE2 3.35Å; G101-Q139 VanDerWaalsContact CA-OE1 3.24Å
102	R	98.2	Very high	97.8	Very high	5 Å²	5	11.3 Å²	11.3	2%	0.019	5%	0.053	C	C	.	.	H	α-helix	trans	-54.7	-46.4	179.4	-70.8	173.2	-81	178.7	-2.9	112	L43 E45 I64 D66 C96 T105 M106	L43-R102 HydrophobicContact CB-CB 4.38Å; L43-R102 HydrophobicContact CD1-CB 3.88Å; E45-R102 IonicContact OE1-NH1 3.4Å; E45-R102 IonicContact OE2-NH1 3.53Å; E45-R102 PolarHBondContact OE2-NH1 3.48Å; E45-R102 VanDerWaalsContact OE2-NH1 3.11Å; I64-R102 HydrophobicContact CB-CG 4.3Å; I64-R102 HydrophobicContact CG2-CG 3.9Å; I64-R102 PolarHBondContact O-NH1 2.91Å; D66-R102 IonicContact OD1-CZ 3.2Å; D66-R102 VanDerWaalsContact OD1-CZ 3.24Å; D66-R102 IonicContact OD1-NE 3.16Å; D66-R102 PolarHBondContact OD1-NE 2.99Å; D66-R102 IonicContact OD1-NH2 2.85Å; D66-R102 PolarHBondContact OD1-NH2 3.24Å; D66-R102 IonicContact OD2-NH2 2.67Å; C96-R102 HydrophobicContact CB-CB 3.78Å; R102-T105 PolarHBondContact O-N 3.08Å; R102-M106 PolarHBondContact O-N 3.05Å
103	T	98.5	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-52.6	175.4	-66.8	0	0	0	0	111.7	V94 H95 C96 G101 T105 M106 L107	V94-T103 HydrophobicContact CG1-CG2 4.28Å; V94-T103 WeakPolarHBondContact O-CG2 3.27Å; H95-T103 WeakPolarHBondContact CA-OG1 3.25Å; C96-T103 PolarHBondContact N-OG1 2.98Å; C96-T103 PolarHBondContact SG-OG1 2.95Å; C96-T103 VanDerWaalsContact SG-OG1 3.39Å; G101-T103 VanDerWaalsContact C-N 3.32Å; G101-T103 PolarHBondContact O-N 3.38Å; T103-T105 VanDerWaalsContact C-N 3.25Å; T103-T105 PolarHBondContact O-N 3.26Å; T103-M106 PolarHBondContact O-N 3.1Å; T103-L107 HydrophobicContact CG2-CD1 3.69Å; T103-L107 HydrophobicContact CG2-CG 4.28Å; T103-L107 VanDerWaalsContact O-CG 3.25Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 2.96Å
104	G	98.4	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-37.1	-179.9	0	0	0	0	0	112.7	H100 G101 L107 A108	H100-G104 VanDerWaalsContact O-CA 3.24Å; H100-G104 WeakPolarHBondContact O-CA 3.41Å; H100-G104 PolarHBondContact O-N 3.31Å; G101-G104 PolarHBondContact O-N 3.01Å; G104-L107 PolarHBondContact O-N 2.92Å; G104-A108 WeakPolarHBondContact O-CB 3.23Å; G104-A108 PolarHBondContact O-N 2.79Å
105	T	98.6	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-45.9	178.6	-48.6	0	0	0	0	111.5	P70 G101 R102 T103 A108 C109 Q139 A142 V143	P70-T105 HydrophobicContact CG-CG2 3.77Å; G101-T105 WeakPolarHBondContact O-CB 3.49Å; G101-T105 PolarHBondContact O-N 3.46Å; G101-T105 PolarHBondContact O-OG1 3.28Å; R102-T105 PolarHBondContact O-N 3.08Å; T103-T105 VanDerWaalsContact C-N 3.25Å; T103-T105 PolarHBondContact O-N 3.26Å; T105-A108 PolarHBondContact O-N 3.43Å; T105-C109 PolarHBondContact O-N 2.94Å; T105-C109 VanDerWaalsContact O-N 3.1Å; T105-C109 PolarHBondContact O-SG 3.37Å; T105-Q139 HydrophobicContact CG2-CB 4.29Å; T105-Q139 WeakPolarHBondContact OG1-CB 3.39Å; T105-Q139 WeakPolarHBondContact OG1-CG 3.37Å; T105-A142 HydrophobicContact CG2-CB 4.43Å; T105-V143 HydrophobicContact CG2-CG2 3.87Å
106	M	98.7	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-45.2	174.8	-76.4	-61.8	-164.8	0	0	111.9	L43 I62 I64 P70 Q74 I75 F78 R102 T103 A108 C109 Y110	L43-M106 HydrophobicContact CD1-CG 3.94Å; L43-M106 HydrophobicContact CD2-CE 4.25Å; L43-M106 HydrophobicContact CD2-CG 4.34Å; I62-M106 HydrophobicContact CG2-CE 4.43Å; I64-M106 HydrophobicContact CD1-CE 3.83Å; P70-M106 HydrophobicContact CB-CE 3.57Å; P70-M106 HydrophobicContact CB-SD 4.2Å; P70-M106 HydrophobicContact CG-CE 4.24Å; P70-M106 HydrophobicContact CG-SD 4.24Å; Q74-M106 HydrophobicContact CB-CE 4.15Å; I75-M106 HydrophobicContact CG1-SD 4.24Å; F78-M106 HydrophobicContact CB-CE 3.92Å; F78-M106 HydrophobicContact CB-SD 3.74Å; F78-M106 HydrophobicContact CD1-CB 3.93Å; F78-M106 HydrophobicContact CD1-CG 4.23Å; F78-M106 HydrophobicContact CD1-SD 3.6Å; F78-M106 HydrophobicContact CE1-CB 3.76Å; F78-M106 WeakPolarHBondContact CE1-O 3.48Å; F78-M106 HydrophobicContact CE1-SD 4.39Å; F78-M106 HydrophobicContact CG-CB 4.39Å; F78-M106 HydrophobicContact CG-CE 4.41Å; F78-M106 HydrophobicContact CG-CG 4.34Å; F78-M106 HydrophobicContact CG-SD 3.73Å; F78-M106 HydrophobicContact CZ-CB 4.07Å; R102-M106 PolarHBondContact O-N 3.05Å; T103-M106 PolarHBondContact O-N 3.1Å; M106-A108 VanDerWaalsContact C-N 3.31Å; M106-A108 PolarHBondContact O-N 3.16Å; M106-C109 PolarHBondContact O-N 2.81Å; M106-Y110 PolarHBondContact O-N 2.93Å
107	L	98.8	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-38.2	178.4	-65.6	170.3	0	0	0	112.1	V12 L17 V94 T103 G104 Y110 L111 I126	V12-L107 HydrophobicContact CB-CD2 4.41Å; V12-L107 HydrophobicContact CG2-CB 4.32Å; V12-L107 HydrophobicContact CG2-CD1 3.82Å; V12-L107 HydrophobicContact CG2-CD2 3.84Å; V12-L107 HydrophobicContact CG2-CG 4.2Å; L17-L107 HydrophobicContact CD1-CD2 4.27Å; L17-L107 HydrophobicContact CD2-CD2 3.65Å; L17-L107 HydrophobicContact CG-CD2 3.69Å; V94-L107 HydrophobicContact CG1-CD2 3.6Å; V94-L107 HydrophobicContact CG1-CG 4.06Å; T103-L107 HydrophobicContact CG2-CD1 3.69Å; T103-L107 HydrophobicContact CG2-CG 4.28Å; T103-L107 VanDerWaalsContact O-CG 3.25Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 2.96Å; G104-L107 PolarHBondContact O-N 2.92Å; L107-Y110 WeakPolarHBondContact O-CB 3.5Å; L107-Y110 PolarHBondContact O-N 3.26Å; L107-L111 PolarHBondContact O-N 3.26Å; L107-L111 VanDerWaalsContact O-N 3.11Å; L107-I126 HydrophobicContact CB-CD1 3.62Å; L107-I126 HydrophobicContact CB-CG1 4.16Å
108	A	98.7	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68	-41.9	176.9	0	0	0	0	0	111.6	G104 T105 M106 Y110 L111 V112 A122 I126 I134 V143	G104-A108 WeakPolarHBondContact O-CB 3.23Å; G104-A108 PolarHBondContact O-N 2.79Å; T105-A108 PolarHBondContact O-N 3.43Å; M106-A108 VanDerWaalsContact C-N 3.31Å; M106-A108 PolarHBondContact O-N 3.16Å; A108-Y110 PolarHBondContact O-N 3.5Å; A108-L111 PolarHBondContact O-N 3.48Å; A108-V112 WeakPolarHBondContact O-CG2 3.49Å; A108-V112 PolarHBondContact O-N 2.93Å; A108-A122 HydrophobicContact CB-CB 4.3Å; A108-I126 HydrophobicContact CB-CG1 3.86Å; A108-I134 HydrophobicContact CB-CD1 3.84Å; A108-V143 HydrophobicContact CB-CG1 3.86Å; A108-V143 HydrophobicContact CB-CG2 3.82Å
109	C	98.6	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-35.4	173.6	-63.7	0	0	0	0	111.9	I75 T105 M106 V112 K113 F146	I75-C109 HydrophobicContact CG2-CB 3.65Å; T105-C109 PolarHBondContact O-N 2.94Å; T105-C109 VanDerWaalsContact O-N 3.1Å; T105-C109 PolarHBondContact O-SG 3.37Å; M106-C109 PolarHBondContact O-N 2.81Å; C109-V112 PolarHBondContact O-N 2.97Å; C109-K113 PolarHBondContact O-N 3.12Å; C109-K113 VanDerWaalsContact O-N 3.11Å; C109-F146 HydrophobicContact CB-CD1 3.87Å; C109-F146 HydrophobicContact CB-CE1 4.07Å; C109-F146 HydrophobicContact CB-CG 4.31Å; C109-F146 VanDerWaalsContact O-CE1 3.28Å; C109-F146 WeakPolarHBondContact O-CE1 3.39Å
110	Y	98.6	Very high	97.6	Very high	14 Å²	14	28.8 Å²	28.8	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-45.6	171.6	171.3	-95.2	0	0	0	112.5	E13 L17 L79 V82 M106 L107 A108 V112 K113 S114	E13-Y110 HydrophobicContact CB-CE1 4.39Å; L17-Y110 HydrophobicContact CB-CE1 4.38Å; L17-Y110 HydrophobicContact CD2-CD1 3.41Å; L17-Y110 VanDerWaalsContact CD2-CD1 3.41Å; L17-Y110 HydrophobicContact CD2-CD2 3.76Å; L17-Y110 HydrophobicContact CD2-CE1 3.88Å; L17-Y110 HydrophobicContact CD2-CE2 4.2Å; L17-Y110 HydrophobicContact CD2-CG 3.32Å; L79-Y110 HydrophobicContact CD2-CD2 4.13Å; V82-Y110 HydrophobicContact CG1-CD2 3.83Å; V82-Y110 HydrophobicContact CG1-CE2 3.56Å; M106-Y110 PolarHBondContact O-N 2.93Å; L107-Y110 WeakPolarHBondContact O-CB 3.5Å; L107-Y110 PolarHBondContact O-N 3.26Å; A108-Y110 PolarHBondContact O-N 3.5Å; Y110-V112 VanDerWaalsContact C-N 3.34Å; Y110-V112 PolarHBondContact O-N 3.34Å; Y110-K113 PolarHBondContact O-N 3.19Å; Y110-S114 WeakPolarHBondContact CE1-OG 3.48Å; Y110-S114 VanDerWaalsContact O-CB 3.31Å; Y110-S114 WeakPolarHBondContact O-CB 3.37Å; Y110-S114 PolarHBondContact O-N 3.36Å; Y110-S114 PolarHBondContact O-OG 3.21Å
111	L	98.4	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-38.5	177.2	-67.8	-171.6	0	0	0	112.5	V12 L107 A108 K113 R115 M117 A122 E125 I126	V12-L111 HydrophobicContact CG1-CD1 4.4Å; V12-L111 HydrophobicContact CG1-CD2 3.77Å; V12-L111 HydrophobicContact CG1-CG 4.17Å; L107-L111 PolarHBondContact O-N 3.26Å; L107-L111 VanDerWaalsContact O-N 3.11Å; A108-L111 PolarHBondContact O-N 3.48Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.14Å; L111-R115 HydrophobicContact CD2-CG 4.37Å; L111-R115 WeakPolarHBondContact O-CA 3.16Å; L111-R115 WeakPolarHBondContact O-CB 3.35Å; L111-R115 PolarHBondContact O-N 2.8Å; L111-M117 HydrophobicContact CB-SD 4.06Å; L111-M117 HydrophobicContact CD1-SD 4.25Å; L111-A122 HydrophobicContact CB-CB 4.07Å; L111-E125 HydrophobicContact CD1-CB 4Å; L111-E125 HydrophobicContact CD1-CG 3.72Å; L111-I126 HydrophobicContact CD1-CD1 3.55Å; L111-I126 HydrophobicContact CD1-CG1 3.82Å; L111-I126 HydrophobicContact CG-CD1 4.07Å; L111-I126 HydrophobicContact CG-CG1 4.49Å
112	V	98.1	Very high	97.8	Very high	4 Å²	4	31 Å²	31	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-55.2	-50.8	172.5	170.5	0	0	0	0	110.4	A108 C109 Y110 K116 A122 V143 F146 Y147	A108-V112 WeakPolarHBondContact O-CG2 3.49Å; A108-V112 PolarHBondContact O-N 2.93Å; C109-V112 PolarHBondContact O-N 2.97Å; Y110-V112 VanDerWaalsContact C-N 3.34Å; Y110-V112 PolarHBondContact O-N 3.34Å; V112-K116 VanDerWaalsContact O-CA 3.25Å; V112-K116 WeakPolarHBondContact O-CA 3.48Å; V112-K116 PolarHBondContact O-N 3.45Å; V112-A122 HydrophobicContact CG2-CB 3.56Å; V112-V143 HydrophobicContact CG2-CG1 3.94Å; V112-F146 HydrophobicContact CB-CD1 4Å; V112-F146 HydrophobicContact CB-CE1 4.05Å; V112-F146 HydrophobicContact CG1-CD1 3.75Å; V112-F146 HydrophobicContact CG1-CE1 3.84Å; V112-Y147 HydrophobicContact CG1-CD2 4Å; V112-Y147 HydrophobicContact CG1-CG 4.45Å
113	K	96.8	Very high	97.8	Very high	73 Å²	73	31.4 Å²	31.4	32%	0.317	16%	0.163	S	C	.	.	H	α-helix	trans	-70.6	-47.8	-177.2	-171.8	174	-176.7	-169	0	112.9	L79 E83 C109 Y110 L111 F146	L79-K113 HydrophobicContact CB-CD 4.34Å; L79-K113 HydrophobicContact CD1-CB 4.38Å; L79-K113 HydrophobicContact CD1-CD 3.81Å; L79-K113 HydrophobicContact CG-CD 4.48Å; E83-K113 WeakPolarHBondContact OE1-CD 3.47Å; E83-K113 WeakPolarHBondContact OE1-CE 3.42Å; E83-K113 IonicContact OE1-NZ 3.61Å; E83-K113 PolarHBondContact OE1-NZ 3.25Å; E83-K113 IonicContact OE2-NZ 3.93Å; E83-K113 PolarHBondContact OE2-NZ 3.07Å; C109-K113 PolarHBondContact O-N 3.12Å; C109-K113 VanDerWaalsContact O-N 3.11Å; Y110-K113 PolarHBondContact O-N 3.19Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.14Å; K113-F146 HydrophobicContact CB-CE1 4.31Å; K113-F146 HydrophobicContact CB-CZ 4.41Å
114	S	95.7	Very high	97.8	Very high	54 Å²	54	34.1 Å²	34.1	38%	0.378	19%	0.186	S	C	.	.	H	α-helix	trans	-79.6	-38	-170.4	59.2	0	0	0	0	113.5	Y110	Y110-S114 WeakPolarHBondContact CE1-OG 3.48Å; Y110-S114 VanDerWaalsContact O-CB 3.31Å; Y110-S114 WeakPolarHBondContact O-CB 3.37Å; Y110-S114 PolarHBondContact O-N 3.36Å; Y110-S114 PolarHBondContact O-OG 3.21Å
115	R	94.9	Very high	97.8	Very high	98 Å²	98	36 Å²	36	37%	0.37	20%	0.195	S	C	.	.	H	α-helix	trans	-108	2.9	-176.7	-57	-167.2	-174.8	171.6	5.6	113.7	V12 E13 L111 M117	V12-R115 PolarHBondContact O-NH2 2.99Å; E13-R115 IonicContact OE2-CZ 3.82Å; E13-R115 IonicContact OE2-NE 2.94Å; E13-R115 IonicContact OE2-NH2 3.08Å; E13-R115 PolarHBondContact OE2-NH2 2.84Å; E13-R115 VanDerWaalsContact OE2-NH2 3.08Å; L111-R115 HydrophobicContact CD2-CG 4.37Å; L111-R115 WeakPolarHBondContact O-CA 3.16Å; L111-R115 WeakPolarHBondContact O-CB 3.35Å; L111-R115 PolarHBondContact O-N 2.8Å; R115-M117 HydrophobicContact CB-CE 4.29Å; R115-M117 HydrophobicContact CB-CG 3.98Å; R115-M117 HydrophobicContact CB-SD 4.21Å; R115-M117 PolarHBondContact O-N 2.87Å; R115-M117 VanDerWaalsContact O-N 3.16Å
116	K	95.3	Very high	97.8	Very high	166 Å²	166	36 Å²	36	72%	0.722	20%	0.195	S	C	*	.			trans	54.7	31.3	-178	-54.3	-57.4	-174.9	-174.4	0	112.9	V112	V112-K116 VanDerWaalsContact O-CA 3.25Å; V112-K116 WeakPolarHBondContact O-CA 3.48Å; V112-K116 PolarHBondContact O-N 3.45Å
117	M	97.3	Very high	97.8	Very high	47 Å²	47	40.3 Å²	40.3	23%	0.232	21%	0.211	C	C	.	.			trans	-72.2	148.4	176.1	-73.4	175.7	168	0	0	110.4	L111 R115 D121 A122 E125 Y147	L111-M117 HydrophobicContact CB-SD 4.06Å; L111-M117 HydrophobicContact CD1-SD 4.25Å; R115-M117 HydrophobicContact CB-CE 4.29Å; R115-M117 HydrophobicContact CB-CG 3.98Å; R115-M117 HydrophobicContact CB-SD 4.21Å; R115-M117 PolarHBondContact O-N 2.87Å; R115-M117 VanDerWaalsContact O-N 3.16Å; M117-D121 HydrophobicContact CB-CB 4.27Å; M117-A122 HydrophobicContact CB-CB 4.19Å; M117-E125 HydrophobicContact CE-CG 4.41Å; M117-E125 HydrophobicContact SD-CB 4.48Å; M117-Y147 WeakPolarHBondContact O-CD2 3.43Å
118	S	98	Very high	97.8	Very high	31 Å²	31	48.1 Å²	48.1	22%	0.217	24%	0.24	C	C	.	.			trans	-63	159.5	166.1	79.7	0	0	0	0	110	A120 D121 A122	S118-A120 PolarHBondContact O-N 3.35Å; S118-D121 WeakPolarHBondContact CB-OD2 3.4Å; S118-D121 PolarHBondContact O-N 3.47Å; S118-D121 PolarHBondContact OG-N 3.46Å; S118-D121 VanDerWaalsContact OG-N 3.14Å; S118-D121 PolarHBondContact OG-OD2 3.39Å; S118-A122 WeakPolarHBondContact O-CB 3.06Å; S118-A122 PolarHBondContact O-N 3.16Å
119	G	97.4	Very high	97.7	Very high	3 Å²	3	50 Å²	50	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-38.5	176.5	0	0	0	0	0	112.8	I123	G119-I123 WeakPolarHBondContact O-CD1 3.38Å; G119-I123 WeakPolarHBondContact O-CG1 3.42Å; G119-I123 PolarHBondContact O-N 2.84Å; G119-I123 VanDerWaalsContact O-N 3.09Å
120	A	97.9	Very high	97.6	Very high	62 Å²	62	50.2 Å²	50.2	51%	0.512	25%	0.251	S	S	.	.	H	α-helix	trans	-67.3	-44.5	178.2	0	0	0	0	0	112.2	S118 I123 A124	S118-A120 PolarHBondContact O-N 3.35Å; A120-I123 PolarHBondContact O-N 3.19Å; A120-A124 PolarHBondContact O-N 3.27Å
121	D	98.4	Very high	97.6	Very high	95 Å²	95	54.3 Å²	54.3	51%	0.508	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-39.7	179.4	-60	-40.3	0	0	0	111.4	M117 S118 I123 A124 E125	M117-D121 HydrophobicContact CB-CB 4.27Å; S118-D121 WeakPolarHBondContact CB-OD2 3.4Å; S118-D121 PolarHBondContact O-N 3.47Å; S118-D121 PolarHBondContact OG-N 3.46Å; S118-D121 VanDerWaalsContact OG-N 3.14Å; S118-D121 PolarHBondContact OG-OD2 3.39Å; D121-I123 PolarHBondContact O-N 3.28Å; D121-A124 PolarHBondContact O-N 3.3Å; D121-E125 WeakPolarHBondContact O-CB 3.49Å; D121-E125 PolarHBondContact O-N 2.96Å
122	A	98.5	Very high	97.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-41.2	176	0	0	0	0	0	112	A108 L111 V112 M117 S118 I126 V143	A108-A122 HydrophobicContact CB-CB 4.3Å; L111-A122 HydrophobicContact CB-CB 4.07Å; V112-A122 HydrophobicContact CG2-CB 3.56Å; M117-A122 HydrophobicContact CB-CB 4.19Å; S118-A122 WeakPolarHBondContact O-CB 3.06Å; S118-A122 PolarHBondContact O-N 3.16Å; A122-I126 WeakPolarHBondContact O-CB 3.42Å; A122-I126 WeakPolarHBondContact O-CG1 3.3Å; A122-I126 PolarHBondContact O-N 3.37Å; A122-V143 HydrophobicContact CB-CG1 4.45Å
123	I	98.6	Very high	97.3	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-49.4	173.8	-71.6	160.9	0	0	0	110.5	G119 A120 D121 E125 I126 R127 I134 E140 V143 V144	G119-I123 WeakPolarHBondContact O-CD1 3.38Å; G119-I123 WeakPolarHBondContact O-CG1 3.42Å; G119-I123 PolarHBondContact O-N 2.84Å; G119-I123 VanDerWaalsContact O-N 3.09Å; A120-I123 PolarHBondContact O-N 3.19Å; D121-I123 PolarHBondContact O-N 3.28Å; I123-E125 VanDerWaalsContact C-N 3.34Å; I123-E125 PolarHBondContact O-N 2.78Å; I123-I126 PolarHBondContact O-N 3.18Å; I123-R127 WeakPolarHBondContact O-CG 3.47Å; I123-R127 PolarHBondContact O-N 3.34Å; I123-I134 HydrophobicContact CB-CD1 4.11Å; I123-I134 HydrophobicContact CG1-CD1 3.72Å; I123-I134 HydrophobicContact CG2-CD1 4.08Å; I123-E140 HydrophobicContact CD1-CB 3.92Å; I123-E140 HydrophobicContact CD1-CG 4.25Å; I123-V143 HydrophobicContact CD1-CB 4.15Å; I123-V143 HydrophobicContact CD1-CG1 4.45Å; I123-V143 HydrophobicContact CG1-CB 4.14Å; I123-V143 HydrophobicContact CG1-CG1 4.13Å; I123-V143 HydrophobicContact CG1-CG2 4.26Å; I123-V144 HydrophobicContact CD1-CG2 4.33Å
124	A	98.5	Very high	97.4	Very high	57 Å²	57	53.4 Å²	53.4	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-43.6	-179.1	0	0	0	0	0	111.6	A120 D121 R127 R128	A120-A124 PolarHBondContact O-N 3.27Å; D121-A124 PolarHBondContact O-N 3.3Å; A124-R127 PolarHBondContact O-N 2.71Å; A124-R128 WeakPolarHBondContact O-CB 3.3Å; A124-R128 PolarHBondContact O-N 2.89Å
125	E	98.5	Very high	97.4	Very high	39 Å²	39	55 Å²	55	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-42.5	179.4	-177.8	61.3	-176.3	0	0	112	L111 M117 D121 I123 R127 R128 I129	L111-E125 HydrophobicContact CD1-CB 4Å; L111-E125 HydrophobicContact CD1-CG 3.72Å; M117-E125 HydrophobicContact CE-CG 4.41Å; M117-E125 HydrophobicContact SD-CB 4.48Å; D121-E125 WeakPolarHBondContact O-CB 3.49Å; D121-E125 PolarHBondContact O-N 2.96Å; I123-E125 VanDerWaalsContact C-N 3.34Å; I123-E125 PolarHBondContact O-N 2.78Å; E125-R127 VanDerWaalsContact C-N 3.33Å; E125-R127 PolarHBondContact O-N 3.12Å; E125-R128 WeakPolarHBondContact O-CB 3.37Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-R128 IonicContact OE1-CZ 2.65Å; E125-R128 IonicContact OE1-NE 2.72Å; E125-R128 IonicContact OE1-NH2 3.55Å; E125-R128 PolarHBondContact OE1-NH2 2.94Å; E125-R128 IonicContact OE2-CZ 2.86Å; E125-R128 IonicContact OE2-NE 3.55Å; E125-R128 PolarHBondContact OE2-NE 3.46Å; E125-R128 IonicContact OE2-NH2 3.61Å; E125-I129 HydrophobicContact CG-CD1 3.94Å; E125-I129 WeakPolarHBondContact O-CG1 3.26Å; E125-I129 PolarHBondContact O-N 2.8Å
126	I	98.6	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-40.6	174.2	-70.5	-54.6	0	0	0	111.4	V12 L107 A108 L111 A122 I123 R128 I129 R130 I134	V12-I126 HydrophobicContact CG1-CD1 3.81Å; V12-I126 HydrophobicContact CG2-CD1 3.94Å; L107-I126 HydrophobicContact CB-CD1 3.62Å; L107-I126 HydrophobicContact CB-CG1 4.16Å; A108-I126 HydrophobicContact CB-CG1 3.86Å; L111-I126 HydrophobicContact CD1-CD1 3.55Å; L111-I126 HydrophobicContact CD1-CG1 3.82Å; L111-I126 HydrophobicContact CG-CD1 4.07Å; L111-I126 HydrophobicContact CG-CG1 4.49Å; A122-I126 WeakPolarHBondContact O-CB 3.42Å; A122-I126 WeakPolarHBondContact O-CG1 3.3Å; A122-I126 PolarHBondContact O-N 3.37Å; I123-I126 PolarHBondContact O-N 3.18Å; I126-R128 VanDerWaalsContact C-N 3.29Å; I126-R128 PolarHBondContact O-N 2.82Å; I126-I129 PolarHBondContact O-N 3.46Å; I126-R130 CarbonylContact O-C 3.54Å; I126-R130 WeakPolarHBondContact O-CA 3.36Å; I126-R130 WeakPolarHBondContact O-CB 3.49Å; I126-R130 PolarHBondContact O-N 3.34Å; I126-I134 HydrophobicContact CG2-CD1 4.5Å
127	R	98.4	Very high	97.5	Very high	90 Å²	90	50.1 Å²	50.1	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-32.3	175.1	-75.7	174.8	171.1	161.2	-0.1	112.7	I123 A124 E125 R130 P131 S133 I134 E140	I123-R127 WeakPolarHBondContact O-CG 3.47Å; I123-R127 PolarHBondContact O-N 3.34Å; A124-R127 PolarHBondContact O-N 2.71Å; E125-R127 VanDerWaalsContact C-N 3.33Å; E125-R127 PolarHBondContact O-N 3.12Å; R127-R130 CarbonylContact O-C 3.54Å; R127-P131 VanDerWaalsContact O-CA 3.31Å; R127-P131 WeakPolarHBondContact O-CA 3.43Å; R127-S133 WeakPolarHBondContact CG-O 3.47Å; R127-S133 PolarHBondContact NE-O 3.37Å; R127-S133 VanDerWaalsContact NE-O 3.12Å; R127-I134 PolarHBondContact NH2-O 3.37Å; R127-E140 IonicContact CZ-OE1 3.2Å; R127-E140 IonicContact NH1-OE1 2.77Å; R127-E140 PolarHBondContact NH1-OE1 3.04Å; R127-E140 IonicContact NH2-OE1 2.88Å; R127-E140 PolarHBondContact NH2-OE1 2.84Å
128	R	98.1	Very high	97.5	Very high	165 Å²	165	52.4 Å²	52.4	62%	0.623	29%	0.288	S	S	*	.	H	α-helix	trans	-68.1	-45.5	174.3	-168.3	-168.2	68.5	75.1	1	111.7	A124 E125 I126	A124-R128 WeakPolarHBondContact O-CB 3.3Å; A124-R128 PolarHBondContact O-N 2.89Å; E125-R128 WeakPolarHBondContact O-CB 3.37Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-R128 IonicContact OE1-CZ 2.65Å; E125-R128 IonicContact OE1-NE 2.72Å; E125-R128 IonicContact OE1-NH2 3.55Å; E125-R128 PolarHBondContact OE1-NH2 2.94Å; E125-R128 IonicContact OE2-CZ 2.86Å; E125-R128 IonicContact OE2-NE 3.55Å; E125-R128 PolarHBondContact OE2-NE 3.46Å; E125-R128 IonicContact OE2-NH2 3.61Å; I126-R128 VanDerWaalsContact C-N 3.29Å; I126-R128 PolarHBondContact O-N 2.82Å
129	I	96.9	Very high	97.5	Very high	40 Å²	40	51 Å²	51	21%	0.205	28%	0.278	C	S	.	.	H	α-helix	trans	-73.5	-36.3	179.2	-60	166.5	0	0	0	111.1	V12 E125 I126	V12-I129 HydrophobicContact CG1-CD1 4.34Å; E125-I129 HydrophobicContact CG-CD1 3.94Å; E125-I129 WeakPolarHBondContact O-CG1 3.26Å; E125-I129 PolarHBondContact O-N 2.8Å; I126-I129 PolarHBondContact O-N 3.46Å
130	R	97.5	Very high	97.6	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.011	29%	0.288	C	S	.	.	S	Bend	trans	-135.3	83.9	-173.9	-60.4	-177.5	62.5	80.7	1.3	110.1	N8 S10 G19 G99 I126 R127 G132 S133	N8-R130 VanDerWaalsContact CG-NH2 3.3Å; N8-R130 PolarHBondContact ND2-NH2 2.98Å; N8-R130 VanDerWaalsContact O-CZ 3.27Å; N8-R130 PolarHBondContact O-NH1 2.78Å; N8-R130 PolarHBondContact O-NH2 3.34Å; N8-R130 PolarHBondContact OD1-NH2 3.45Å; S10-R130 VanDerWaalsContact N-NH1 3.19Å; S10-R130 VanDerWaalsContact OG-CG 3.31Å; S10-R130 WeakPolarHBondContact OG-CG 3.49Å; S10-R130 PolarHBondContact OG-NH1 2.68Å; G19-R130 PolarHBondContact O-NH1 3.24Å; G99-R130 PolarHBondContact O-NH2 3.35Å; I126-R130 CarbonylContact O-C 3.54Å; I126-R130 WeakPolarHBondContact O-CA 3.36Å; I126-R130 WeakPolarHBondContact O-CB 3.49Å; I126-R130 PolarHBondContact O-N 3.34Å; R127-R130 CarbonylContact O-C 3.54Å; R130-G132 PolarHBondContact O-N 2.95Å; R130-S133 WeakPolarHBondContact CB-OG 3.28Å; R130-S133 VanDerWaalsContact O-CB 3.26Å; R130-S133 WeakPolarHBondContact O-CB 3.35Å; R130-S133 PolarHBondContact O-N 2.92Å; R130-S133 VanDerWaalsContact O-N 3.11Å; R130-S133 PolarHBondContact O-OG 3.47Å
131	P	97.4	Very high	97.6	Very high	100 Å²	100	54.6 Å²	54.6	65%	0.649	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	137.8	178.3	-28.5	36.5	0	0	0	112.6	R127 S133	R127-P131 VanDerWaalsContact O-CA 3.31Å; R127-P131 WeakPolarHBondContact O-CA 3.43Å; P131-S133 VanDerWaalsContact C-N 3.33Å
132	G	94.3	Very high	97.6	Very high	53 Å²	53	50.5 Å²	50.5	55%	0.546	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	0.2	-176.6	0	0	0	0	0	115.3	R130	R130-G132 PolarHBondContact O-N 2.95Å
133	S	97.3	Very high	97.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.261	C	S	.	.			trans	-67.5	149.3	173.6	-83.3	0	0	0	0	113.2	H100 R127 R130 P131	H100-S133 WeakPolarHBondContact O-CA 3.36Å; H100-S133 PolarHBondContact O-OG 2.89Å; R127-S133 WeakPolarHBondContact CG-O 3.47Å; R127-S133 PolarHBondContact NE-O 3.37Å; R127-S133 VanDerWaalsContact NE-O 3.12Å; R130-S133 WeakPolarHBondContact CB-OG 3.28Å; R130-S133 VanDerWaalsContact O-CB 3.26Å; R130-S133 WeakPolarHBondContact O-CB 3.35Å; R130-S133 PolarHBondContact O-N 2.92Å; R130-S133 VanDerWaalsContact O-N 3.11Å; R130-S133 PolarHBondContact O-OG 3.47Å; P131-S133 VanDerWaalsContact C-N 3.33Å
134	I	97.3	Very high	97.5	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.275	C	S	.	.			trans	64.4	90.1	-179	-48.5	177.7	0	0	0	109.8	H100 A108 I123 I126 R127 Q139 E140	H100-I134 PolarHBondContact O-N 3.18Å; A108-I134 HydrophobicContact CB-CD1 3.84Å; I123-I134 HydrophobicContact CB-CD1 4.11Å; I123-I134 HydrophobicContact CG1-CD1 3.72Å; I123-I134 HydrophobicContact CG2-CD1 4.08Å; I126-I134 HydrophobicContact CG2-CD1 4.5Å; R127-I134 PolarHBondContact NH2-O 3.37Å; I134-Q139 HydrophobicContact CG2-CB 3.77Å; I134-E140 HydrophobicContact CG2-CB 4.44Å; I134-E140 HydrophobicContact CG2-CG 3.63Å
135	E	95.8	Very high	97.4	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	28%	0.278	S	S	.	.			trans	-91.8	-21.8	-163.1	-68.1	172.8	114.3	0	0	113.1	H100 G101	H100-E135 HydrophobicContact CB-CG 4.04Å; G101-E135 WeakPolarHBondContact CA-OE2 3.17Å; G101-E135 PolarHBondContact N-OE2 3.35Å
136	T	96.5	Very high	97.4	Very high	35 Å²	35	53.6 Å²	53.6	22%	0.215	27%	0.27	C	S	.	.	S	Bend	trans	-127.3	154.1	-174.7	73.6	0	0	0	0	112.5	F67 E138 Q139 E140	F67-T136 HydrophobicContact CD1-CG2 4.42Å; T136-E138 VanDerWaalsContact C-N 3.28Å; T136-E138 PolarHBondContact O-N 3.48Å; T136-Q139 WeakPolarHBondContact O-CB 3.25Å; T136-Q139 PolarHBondContact O-N 3.02Å; T136-Q139 VanDerWaalsContact O-N 3.12Å; T136-Q139 VanDerWaalsContact OG1-CG 3.3Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.32Å; T136-Q139 PolarHBondContact OG1-N 3.38Å; T136-E140 PolarHBondContact O-N 3.48Å
137	H	96.9	Very high	97.3	Very high	127 Å²	127	56.6 Å²	56.6	59%	0.588	28%	0.281	S	S	*	.	H	α-helix	trans	-60.4	-37.3	176.6	-175.4	62.2	0	0	0	112.5	Q139 E140 K141	H137-Q139 VanDerWaalsContact C-N 3.28Å; H137-Q139 PolarHBondContact O-N 3.3Å; H137-E140 IonicContact ND1-OE2 2.68Å; H137-E140 WeakPolarHBondContact O-CB 3.2Å; H137-E140 PolarHBondContact O-N 3.29Å; H137-K141 WeakPolarHBondContact O-CB 3.43Å; H137-K141 PolarHBondContact O-N 3.4Å
138	E	97.7	Very high	97.1	Very high	95 Å²	95	57.9 Å²	57.9	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-31.3	176.9	-67.1	-57.1	132.2	0	0	112.3	P69 T136 A142	P69-E138 HydrophobicContact CG-CB 4.14Å; T136-E138 VanDerWaalsContact C-N 3.28Å; T136-E138 PolarHBondContact O-N 3.48Å; E138-A142 WeakPolarHBondContact O-CB 3.27Å; E138-A142 PolarHBondContact O-N 2.86Å
139	Q	97.8	Very high	96.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-44.1	172.2	-74.4	169.2	0.7	0	0	112	T68 P69 G101 T105 I134 T136 H137 K141 A142 V143	T68-Q139 PolarHBondContact O-NE2 3.06Å; P69-Q139 HydrophobicContact CB-CG 4.3Å; G101-Q139 VanDerWaalsContact CA-OE1 3.24Å; T105-Q139 HydrophobicContact CG2-CB 4.29Å; T105-Q139 WeakPolarHBondContact OG1-CB 3.39Å; T105-Q139 WeakPolarHBondContact OG1-CG 3.37Å; I134-Q139 HydrophobicContact CG2-CB 3.77Å; T136-Q139 WeakPolarHBondContact O-CB 3.25Å; T136-Q139 PolarHBondContact O-N 3.02Å; T136-Q139 VanDerWaalsContact O-N 3.12Å; T136-Q139 VanDerWaalsContact OG1-CG 3.3Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.32Å; T136-Q139 PolarHBondContact OG1-N 3.38Å; H137-Q139 VanDerWaalsContact C-N 3.28Å; H137-Q139 PolarHBondContact O-N 3.3Å; Q139-K141 VanDerWaalsContact C-N 3.33Å; Q139-K141 PolarHBondContact O-N 3.22Å; Q139-A142 WeakPolarHBondContact O-CB 3.38Å; Q139-A142 PolarHBondContact O-N 3.4Å; Q139-V143 PolarHBondContact O-N 3.11Å
140	E	98.3	Very high	96.2	Very high	50 Å²	50	56.6 Å²	56.6	23%	0.234	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-47.3	173.7	-64	178.8	151.4	0	0	111	I123 R127 I134 T136 H137 A142 V143 V144	I123-E140 HydrophobicContact CD1-CB 3.92Å; I123-E140 HydrophobicContact CD1-CG 4.25Å; R127-E140 IonicContact CZ-OE1 3.2Å; R127-E140 IonicContact NH1-OE1 2.77Å; R127-E140 PolarHBondContact NH1-OE1 3.04Å; R127-E140 IonicContact NH2-OE1 2.88Å; R127-E140 PolarHBondContact NH2-OE1 2.84Å; I134-E140 HydrophobicContact CG2-CB 4.44Å; I134-E140 HydrophobicContact CG2-CG 3.63Å; T136-E140 PolarHBondContact O-N 3.48Å; H137-E140 IonicContact ND1-OE2 2.68Å; H137-E140 WeakPolarHBondContact O-CB 3.2Å; H137-E140 PolarHBondContact O-N 3.29Å; E140-A142 VanDerWaalsContact C-N 3.29Å; E140-A142 PolarHBondContact O-N 2.68Å; E140-V143 PolarHBondContact O-N 2.78Å; E140-V143 VanDerWaalsContact O-N 3.13Å; E140-V144 PolarHBondContact O-N 2.71Å; E140-V144 VanDerWaalsContact O-N 3.08Å
141	K	97.9	Very high	95	Very high	90 Å²	90	66.1 Å²	66.1	39%	0.391	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-40	178.3	-171.5	-179.2	-179.9	-176.6	0	111.9	H137 Q139 V143 V144 Q145	H137-K141 WeakPolarHBondContact O-CB 3.43Å; H137-K141 PolarHBondContact O-N 3.4Å; Q139-K141 VanDerWaalsContact C-N 3.33Å; Q139-K141 PolarHBondContact O-N 3.22Å; K141-V143 VanDerWaalsContact C-N 3.33Å; K141-V143 PolarHBondContact O-N 3.4Å; K141-V144 PolarHBondContact O-N 3.46Å; K141-Q145 HydrophobicContact CG-CG 4.3Å; K141-Q145 WeakPolarHBondContact O-CB 3.44Å; K141-Q145 VanDerWaalsContact O-CG 3.26Å; K141-Q145 WeakPolarHBondContact O-CG 3.39Å; K141-Q145 PolarHBondContact O-N 3.22Å
142	A	98.1	Very high	94.9	Very high	9 Å²	9	64.4 Å²	64.4	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-41	176.6	0	0	0	0	0	112.3	P69 T105 E138 Q139 E140 F146	P69-A142 HydrophobicContact CB-CB 3.66Å; T105-A142 HydrophobicContact CG2-CB 4.43Å; E138-A142 WeakPolarHBondContact O-CB 3.27Å; E138-A142 PolarHBondContact O-N 2.86Å; Q139-A142 WeakPolarHBondContact O-CB 3.38Å; Q139-A142 PolarHBondContact O-N 3.4Å; E140-A142 VanDerWaalsContact C-N 3.29Å; E140-A142 PolarHBondContact O-N 2.68Å; A142-F146 WeakPolarHBondContact O-CB 3.48Å; A142-F146 PolarHBondContact O-N 3.02Å
143	V	98.3	Very high	95	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-44.8	176.1	-176.2	0	0	0	0	111	T105 A108 V112 A122 I123 Q139 E140 K141 Q145 F146 Y147	T105-V143 HydrophobicContact CG2-CG2 3.87Å; A108-V143 HydrophobicContact CB-CG1 3.86Å; A108-V143 HydrophobicContact CB-CG2 3.82Å; V112-V143 HydrophobicContact CG2-CG1 3.94Å; A122-V143 HydrophobicContact CB-CG1 4.45Å; I123-V143 HydrophobicContact CD1-CB 4.15Å; I123-V143 HydrophobicContact CD1-CG1 4.45Å; I123-V143 HydrophobicContact CG1-CB 4.14Å; I123-V143 HydrophobicContact CG1-CG1 4.13Å; I123-V143 HydrophobicContact CG1-CG2 4.26Å; Q139-V143 PolarHBondContact O-N 3.11Å; E140-V143 PolarHBondContact O-N 2.78Å; E140-V143 VanDerWaalsContact O-N 3.13Å; K141-V143 VanDerWaalsContact C-N 3.33Å; K141-V143 PolarHBondContact O-N 3.4Å; V143-Q145 PolarHBondContact O-N 3.05Å; V143-F146 WeakPolarHBondContact O-CB 3.35Å; V143-F146 PolarHBondContact O-N 3.28Å; V143-Y147 PolarHBondContact O-N 3.27Å
144	V	97.8	Very high	94.8	Very high	59 Å²	59	68.6 Å²	68.6	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-43.2	178.6	175.5	0	0	0	0	111	I123 E140 K141 F146 Y147 Q148	I123-V144 HydrophobicContact CD1-CG2 4.33Å; E140-V144 PolarHBondContact O-N 2.71Å; E140-V144 VanDerWaalsContact O-N 3.08Å; K141-V144 PolarHBondContact O-N 3.46Å; V144-F146 VanDerWaalsContact C-N 3.34Å; V144-F146 PolarHBondContact O-N 3.37Å; V144-Y147 WeakPolarHBondContact O-CB 3.28Å; V144-Y147 PolarHBondContact O-N 3.12Å; V144-Q148 WeakPolarHBondContact O-CG 3.45Å; V144-Q148 PolarHBondContact O-N 2.68Å; V144-Q148 VanDerWaalsContact O-N 3.12Å
145	Q	97.1	Very high	94.7	Very high	113 Å²	113	72.4 Å²	72.4	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-38.7	175.7	-74.5	178.1	-18.6	0	0	112	K141 V143 Y147 Q148 R149	K141-Q145 HydrophobicContact CG-CG 4.3Å; K141-Q145 WeakPolarHBondContact O-CB 3.44Å; K141-Q145 VanDerWaalsContact O-CG 3.26Å; K141-Q145 WeakPolarHBondContact O-CG 3.39Å; K141-Q145 PolarHBondContact O-N 3.22Å; V143-Q145 PolarHBondContact O-N 3.05Å; Q145-Y147 VanDerWaalsContact C-N 3.34Å; Q145-Y147 PolarHBondContact O-N 3Å; Q145-Q148 PolarHBondContact O-N 2.63Å; Q145-R149 PolarHBondContact O-N 3.22Å; Q145-R149 VanDerWaalsContact O-N 3.11Å
146	F	97.6	Very high	94.6	Very high	3 Å²	3	71.4 Å²	71.4	1%	0.013	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-43	174.5	178	-102.3	0	0	0	112	I75 L79 C109 V112 K113 A142 V143 V144 Q148 R149 T150	I75-F146 HydrophobicContact CB-CD2 4.48Å; I75-F146 HydrophobicContact CD1-CB 4.46Å; I75-F146 HydrophobicContact CD1-CD2 4.4Å; I75-F146 HydrophobicContact CG2-CD2 3.66Å; I75-F146 HydrophobicContact CG2-CE2 3.57Å; I75-F146 HydrophobicContact CG2-CG 4.24Å; I75-F146 HydrophobicContact CG2-CZ 4.1Å; L79-F146 HydrophobicContact CD1-CE1 4.11Å; L79-F146 HydrophobicContact CD1-CE2 3.91Å; L79-F146 HydrophobicContact CD1-CZ 3.34Å; C109-F146 HydrophobicContact CB-CD1 3.87Å; C109-F146 HydrophobicContact CB-CE1 4.07Å; C109-F146 HydrophobicContact CB-CG 4.31Å; C109-F146 VanDerWaalsContact O-CE1 3.28Å; C109-F146 WeakPolarHBondContact O-CE1 3.39Å; V112-F146 HydrophobicContact CB-CD1 4Å; V112-F146 HydrophobicContact CB-CE1 4.05Å; V112-F146 HydrophobicContact CG1-CD1 3.75Å; V112-F146 HydrophobicContact CG1-CE1 3.84Å; K113-F146 HydrophobicContact CB-CE1 4.31Å; K113-F146 HydrophobicContact CB-CZ 4.41Å; A142-F146 WeakPolarHBondContact O-CB 3.48Å; A142-F146 PolarHBondContact O-N 3.02Å; V143-F146 WeakPolarHBondContact O-CB 3.35Å; V143-F146 PolarHBondContact O-N 3.28Å; V144-F146 VanDerWaalsContact C-N 3.34Å; V144-F146 PolarHBondContact O-N 3.37Å; F146-Q148 PolarHBondContact O-N 2.89Å; F146-R149 PolarHBondContact O-N 3.15Å; F146-T150 HydrophobicContact CD2-CG2 4.32Å; F146-T150 HydrophobicContact CE1-CG2 4.28Å; F146-T150 HydrophobicContact CE2-CG2 3.82Å; F146-T150 HydrophobicContact CZ-CG2 3.78Å; F146-T150 WeakPolarHBondContact O-CG2 3.32Å; F146-T150 PolarHBondContact O-N 2.58Å; F146-T150 PolarHBondContact O-OG1 2.99Å
147	Y	97.1	Very high	94.5	Very high	62 Å²	62	73.8 Å²	73.8	24%	0.243	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-46.9	173.2	170.1	-105.2	0	0	0	112.1	V112 M117 V143 V144 Q145 R149 T150 K151	V112-Y147 HydrophobicContact CG1-CD2 4Å; V112-Y147 HydrophobicContact CG1-CG 4.45Å; M117-Y147 WeakPolarHBondContact O-CD2 3.43Å; V143-Y147 PolarHBondContact O-N 3.27Å; V144-Y147 WeakPolarHBondContact O-CB 3.28Å; V144-Y147 PolarHBondContact O-N 3.12Å; Q145-Y147 VanDerWaalsContact C-N 3.34Å; Q145-Y147 PolarHBondContact O-N 3Å; Y147-R149 PolarHBondContact O-N 3.11Å; Y147-T150 PolarHBondContact O-N 3.19Å; Y147-T150 VanDerWaalsContact O-N 3.1Å; Y147-T150 PolarHBondContact O-OG1 3.48Å; Y147-K151 PolarHBondContact O-N 2.81Å
148	Q	93.4	Very high	94.3	Very high	117 Å²	117	70 Å²	70	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-29.4	179.1	-63.6	-60.5	-20.6	0	0	113.2	V144 Q145 F146 T150	V144-Q148 WeakPolarHBondContact O-CG 3.45Å; V144-Q148 PolarHBondContact O-N 2.68Å; V144-Q148 VanDerWaalsContact O-N 3.12Å; Q145-Q148 PolarHBondContact O-N 2.63Å; F146-Q148 PolarHBondContact O-N 2.89Å; Q148-T150 VanDerWaalsContact C-N 3.35Å
149	R	92.6	Very high	94.1	Very high	119 Å²	119	68.1 Å²	68.1	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-80	-16.7	179.5	-141.5	-176.5	75.9	-133	4.3	113.6	D76 Q145 F146 Y147	D76-R149 IonicContact OD1-CZ 3.66Å; D76-R149 IonicContact OD1-NH2 3.54Å; D76-R149 PolarHBondContact OD1-NH2 3.21Å; D76-R149 IonicContact OD2-CZ 3.24Å; D76-R149 IonicContact OD2-NH2 2.8Å; D76-R149 PolarHBondContact OD2-NH2 3.16Å; Q145-R149 PolarHBondContact O-N 3.22Å; Q145-R149 VanDerWaalsContact O-N 3.11Å; F146-R149 PolarHBondContact O-N 3.15Å; Y147-R149 PolarHBondContact O-N 3.11Å
150	T	84.1	Confident	93.7	Very high	60 Å²	60	73.7 Å²	73.7	37%	0.368	34%	0.34	S	S	.	.	H	α-helix	trans	-120.6	-2.3	-171.6	55.1	0	0	0	0	114.1	F146 Y147 Q148	F146-T150 HydrophobicContact CD2-CG2 4.32Å; F146-T150 HydrophobicContact CE1-CG2 4.28Å; F146-T150 HydrophobicContact CE2-CG2 3.82Å; F146-T150 HydrophobicContact CZ-CG2 3.78Å; F146-T150 WeakPolarHBondContact O-CG2 3.32Å; F146-T150 PolarHBondContact O-N 2.58Å; F146-T150 PolarHBondContact O-OG1 2.99Å; Y147-T150 PolarHBondContact O-N 3.19Å; Y147-T150 VanDerWaalsContact O-N 3.1Å; Y147-T150 PolarHBondContact O-OG1 3.48Å; Q148-T150 VanDerWaalsContact C-N 3.35Å
151	K	72.8	Confident	93.3	Very high	202 Å²	202	75.8 Å²	75.8	88%	0.878	35%	0.35	S	S	*	.			trans	-66.9	0	164.9	-174.4	-176.2	178.9	-171.3	0	110.3	Y147	Y147-K151 PolarHBondContact O-N 2.81Å

Retrieved 151 of 151 residues in 173.2 ms (Link to these results)

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