A0A087Y2W9_POEFO Loading...

Myoglobin

Monomeric heme protein which primary function is to store oxygen and facilitate its diffusion within muscle tissues. Reversibly binds oxygen through a pentacoordinated heme iron and enables its timely and efficient release as needed during periods of heightened demand. Depending on the oxidative conditions of tissues and cells, and in addition to its ability to bind oxygen, it also has a nitrite reductase activity whereby it regulates the production of bioactive nitric oxide. Under stress conditions, like hypoxia and anoxia, it also protects cells against reactive oxygen species thanks to its pseudoperoxidase activity.

AlphaFold DB (A0A3B3UIU1), UniProt , Accession A0A087Y2W9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 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	72.1	Confident	95.1	Very high	170 Å²	170	64.8 Å²	64.8	84%	0.837	33%	0.332	S	S	*	.				0	-50.5	0	-75.1	-172	-87.2	0	0	111.7	D3 F4 D5	M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.49Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.07Å; M1-D5 PolarHBondContact O-N 2.75Å
2	A	92.6	Very high	95.3	Very high	61 Å²	61	63.1 Å²	63.1	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-50.4	-44.9	178.3	0	0	0	0	0	114.4	F4 D5 M6	A2-F4 PolarHBondContact O-N 3.14Å; A2-D5 PolarHBondContact O-N 2.92Å; A2-D5 VanDerWaalsContact O-N 3.15Å; A2-M6 WeakPolarHBondContact O-CG 3.34Å; A2-M6 PolarHBondContact O-N 3.46Å
3	D	97.6	Very high	95.5	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-39.3	179.1	-68.5	-7.1	0	0	0	113	M1 D5 M6 V7 A124 N127 V128	M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.49Å; D3-D5 VanDerWaalsContact C-N 3.33Å; D3-D5 PolarHBondContact O-N 2.86Å; D3-M6 PolarHBondContact O-N 2.96Å; D3-V7 WeakPolarHBondContact O-CG2 3.34Å; D3-V7 PolarHBondContact O-N 3.35Å; D3-V7 VanDerWaalsContact O-N 3.12Å; D3-A124 HydrophobicContact CB-CB 3.81Å; D3-N127 WeakPolarHBondContact OD2-CB 3.47Å; D3-N127 PolarHBondContact OD2-ND2 3.43Å; D3-V128 HydrophobicContact CB-CG2 3.88Å
4	F	97.5	Very high	95.7	Very high	21 Å²	21	58.6 Å²	58.6	9%	0.092	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-42.4	174.7	-70.8	-91.3	0	0	0	111.2	M1 A2 V7 L8 L72 K75 V128	M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.07Å; A2-F4 PolarHBondContact O-N 3.14Å; F4-V7 PolarHBondContact O-N 3.35Å; F4-L8 VanDerWaalsContact O-CB 3.29Å; F4-L8 WeakPolarHBondContact O-CB 3.45Å; F4-L8 WeakPolarHBondContact O-CG 3.42Å; F4-L8 PolarHBondContact O-N 2.93Å; F4-L72 HydrophobicContact CD1-CD2 4.22Å; F4-L72 WeakPolarHBondContact CD1-O 3.28Å; F4-K75 HydrophobicContact CB-CB 4.46Å; F4-K75 HydrophobicContact CB-CG 4.14Å; F4-K75 HydrophobicContact CG-CB 4.34Å; F4-K75 HydrophobicContact CG-CG 4.47Å; F4-V128 HydrophobicContact CD1-CG1 3.97Å; F4-V128 HydrophobicContact CD1-CG2 4Å; F4-V128 HydrophobicContact CD2-CG2 3.96Å; F4-V128 HydrophobicContact CE1-CB 4.42Å; F4-V128 HydrophobicContact CE1-CG1 3.47Å; F4-V128 VanDerWaalsContact CE1-CG1 3.47Å; F4-V128 HydrophobicContact CE1-CG2 4.08Å; F4-V128 HydrophobicContact CE2-CG2 4.03Å; F4-V128 HydrophobicContact CG-CG2 3.95Å; F4-V128 HydrophobicContact CZ-CB 4.48Å; F4-V128 HydrophobicContact CZ-CG1 3.82Å; F4-V128 HydrophobicContact CZ-CG2 4.09Å
5	D	97.7	Very high	95.9	Very high	70 Å²	70	60.1 Å²	60.1	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-38	179.4	-65.9	-38.3	0	0	0	112	M1 A2 D3 L8 K9 K75	M1-D5 PolarHBondContact O-N 2.75Å; A2-D5 PolarHBondContact O-N 2.92Å; A2-D5 VanDerWaalsContact O-N 3.15Å; D3-D5 VanDerWaalsContact C-N 3.33Å; D3-D5 PolarHBondContact O-N 2.86Å; D5-L8 PolarHBondContact O-N 3.16Å; D5-K9 WeakPolarHBondContact O-CB 3.45Å; D5-K9 PolarHBondContact O-N 3.48Å; D5-K75 VanDerWaalsContact OD1-CE 3.27Å; D5-K75 WeakPolarHBondContact OD1-CE 3.42Å; D5-K75 IonicContact OD1-NZ 2.62Å; D5-K75 PolarHBondContact OD1-NZ 2.88Å
6	M	97.8	Very high	96	Very high	87 Å²	87	61.9 Å²	61.9	43%	0.429	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-46.4	174.1	-71.4	-175.5	-175	0	0	111.5	A2 D3 H10 A124	A2-M6 WeakPolarHBondContact O-CG 3.34Å; A2-M6 PolarHBondContact O-N 3.46Å; D3-M6 PolarHBondContact O-N 2.96Å; M6-H10 PolarHBondContact O-CD2 3.49Å; M6-A124 HydrophobicContact CB-CB 3.95Å; M6-A124 HydrophobicContact SD-CB 4.1Å
7	V	98.2	Very high	96.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-45.6	177.5	-179.8	0	0	0	0	110.8	D3 F4 K9 H10 W11 L72 M111 A124 L125	D3-V7 WeakPolarHBondContact O-CG2 3.34Å; D3-V7 PolarHBondContact O-N 3.35Å; D3-V7 VanDerWaalsContact O-N 3.12Å; F4-V7 PolarHBondContact O-N 3.35Å; V7-K9 VanDerWaalsContact C-N 3.29Å; V7-K9 PolarHBondContact O-N 3.08Å; V7-H10 PolarHBondContact O-N 3.26Å; V7-W11 HydrophobicContact CG1-CE3 4.41Å; V7-W11 PolarHBondContact O-N 2.62Å; V7-L72 HydrophobicContact CB-CD2 4.27Å; V7-L72 HydrophobicContact CG1-CD1 3.74Å; V7-L72 HydrophobicContact CG1-CD2 3.9Å; V7-L72 HydrophobicContact CG1-CG 4.48Å; V7-M111 HydrophobicContact CG1-CE 4.12Å; V7-M111 HydrophobicContact CG1-SD 4.45Å; V7-A124 HydrophobicContact CG2-CB 4.2Å; V7-L125 HydrophobicContact CG1-CD1 4.18Å; V7-L125 HydrophobicContact CG2-CB 3.84Å; V7-L125 HydrophobicContact CG2-CD1 4.36Å
8	L	98.3	Very high	96.3	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.199	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-32.7	-177.7	-76.4	170	0	0	0	113	F4 D5 H10 W11 L72 K73 K75	F4-L8 VanDerWaalsContact O-CB 3.29Å; F4-L8 WeakPolarHBondContact O-CB 3.45Å; F4-L8 WeakPolarHBondContact O-CG 3.42Å; F4-L8 PolarHBondContact O-N 2.93Å; D5-L8 PolarHBondContact O-N 3.16Å; L8-H10 PolarHBondContact O-N 2.65Å; L8-H10 VanDerWaalsContact O-N 3.14Å; L8-W11 HydrophobicContact CD2-CB 4.47Å; L8-W11 WeakPolarHBondContact O-CB 3.43Å; L8-W11 PolarHBondContact O-N 3.01Å; L8-L72 HydrophobicContact CD2-CB 3.84Å; L8-L72 HydrophobicContact CG-CB 4.29Å; L8-K73 HydrophobicContact CD2-CG 3.83Å; L8-K75 HydrophobicContact CD1-CG 4.42Å
9	K	97.9	Very high	96.4	Very high	173 Å²	173	61.3 Å²	61.3	75%	0.752	34%	0.343	S	S	*	.	H	α-helix	trans	-55	-30.5	173.8	-176.5	-177.1	175.7	-171	0	112.6	D5 V7	D5-K9 WeakPolarHBondContact O-CB 3.45Å; D5-K9 PolarHBondContact O-N 3.48Å; V7-K9 VanDerWaalsContact C-N 3.29Å; V7-K9 PolarHBondContact O-N 3.08Å
10	H	97.9	Very high	96.5	Very high	39 Å²	39	61.7 Å²	61.7	18%	0.181	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	6.2	-179.4	-65.8	-86.8	0	0	0	113.1	M6 V7 L8 M111 A115 G116 L117	M6-H10 PolarHBondContact O-CD2 3.49Å; V7-H10 PolarHBondContact O-N 3.26Å; L8-H10 PolarHBondContact O-N 2.65Å; L8-H10 VanDerWaalsContact O-N 3.14Å; H10-M111 HydrophobicContact CB-CE 4.15Å; H10-A115 PolarHBondContact ND1-O 3.34Å; H10-A115 WeakPolarHBondContact O-CB 3.38Å; H10-G116 PolarHBondContact CE1-O 2.92Å; H10-G116 PolarHBondContact ND1-O 3.28Å; H10-L117 HydrophobicContact CB-CB 4.41Å; H10-L117 HydrophobicContact CB-CD1 3.9Å
11	W	98.4	Very high	96.6	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.011	34%	0.335	C	S	.	.			trans	-79.6	-20.2	-176.6	-161.5	-101.6	0	0	0	113.7	V7 L8 V14 E15 Y18 L65 L68 L72 M111	V7-W11 HydrophobicContact CG1-CE3 4.41Å; V7-W11 PolarHBondContact O-N 2.62Å; L8-W11 HydrophobicContact CD2-CB 4.47Å; L8-W11 WeakPolarHBondContact O-CB 3.43Å; L8-W11 PolarHBondContact O-N 3.01Å; W11-V14 HydrophobicContact CD2-CB 4.23Å; W11-V14 HydrophobicContact CD2-CG1 4.44Å; W11-V14 HydrophobicContact CE3-CB 4.39Å; W11-V14 HydrophobicContact CE3-CG2 4.37Å; W11-V14 HydrophobicContact CH2-CG1 3.94Å; W11-V14 HydrophobicContact CZ2-CB 4.49Å; W11-V14 HydrophobicContact CZ2-CG1 3.83Å; W11-V14 HydrophobicContact CZ3-CG1 4.29Å; W11-V14 WeakPolarHBondContact O-CB 3.23Å; W11-V14 PolarHBondContact O-N 3.24Å; W11-E15 PolarHBondContact O-N 3.37Å; W11-Y18 HydrophobicContact CZ2-CE1 4.12Å; W11-Y18 AromaticContact NE1-CE1 3.91Å; W11-Y18 PolarHBondContact NE1-OH 3.33Å; W11-L65 HydrophobicContact CH2-CD2 4.11Å; W11-L65 HydrophobicContact CZ2-CB 4.46Å; W11-L65 WeakPolarHBondContact CZ2-O 3.12Å; W11-L68 HydrophobicContact CH2-CB 4.37Å; W11-L68 HydrophobicContact CH2-CD2 3.86Å; W11-L68 HydrophobicContact CH2-CG 4Å; W11-L68 HydrophobicContact CZ3-CD2 4.3Å; W11-L72 HydrophobicContact CD2-CD1 3.99Å; W11-L72 HydrophobicContact CE3-CD1 3.64Å; W11-L72 HydrophobicContact CH2-CD1 4.09Å; W11-L72 HydrophobicContact CZ2-CD1 4.4Å; W11-L72 HydrophobicContact CZ3-CD1 3.69Å; W11-M111 HydrophobicContact CE3-CE 3.66Å; W11-M111 HydrophobicContact CE3-SD 3.9Å; W11-M111 HydrophobicContact CZ3-CE 4.04Å; W11-M111 HydrophobicContact CZ3-SD 3.61Å
12	G	98.1	Very high	97.9	Very high	44 Å²	44	51.6 Å²	51.6	45%	0.454	30%	0.295	S	S	.	.	H	α-helix	trans	-51.7	-51	-177	0	0	0	0	0	114.7	V14 E15 A16	G12-V14 VanDerWaalsContact C-N 3.31Å; G12-V14 PolarHBondContact O-N 3.03Å; G12-E15 PolarHBondContact O-N 3.32Å; G12-A16 WeakPolarHBondContact O-CB 3.45Å; G12-A16 PolarHBondContact O-N 3.42Å
13	P	97.6	Very high	98.2	Very high	60 Å²	60	49.3 Å²	49.3	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-37	175.9	-26	35.8	0	0	0	113.9	H21 A115	P13-H21 PolarHBondContact O-CE1 2.95Å; P13-A115 HydrophobicContact CB-CB 4.09Å; P13-A115 HydrophobicContact CG-CB 4.13Å
14	V	98.3	Very high	98.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-44	177.5	-176.5	0	0	0	0	110.3	W11 G12 D17 Y18 H21 L65 M111 A115	W11-V14 HydrophobicContact CD2-CB 4.23Å; W11-V14 HydrophobicContact CD2-CG1 4.44Å; W11-V14 HydrophobicContact CE3-CB 4.39Å; W11-V14 HydrophobicContact CE3-CG2 4.37Å; W11-V14 HydrophobicContact CH2-CG1 3.94Å; W11-V14 HydrophobicContact CZ2-CB 4.49Å; W11-V14 HydrophobicContact CZ2-CG1 3.83Å; W11-V14 HydrophobicContact CZ3-CG1 4.29Å; W11-V14 WeakPolarHBondContact O-CB 3.23Å; W11-V14 PolarHBondContact O-N 3.24Å; G12-V14 VanDerWaalsContact C-N 3.31Å; G12-V14 PolarHBondContact O-N 3.03Å; V14-D17 CarbonylContact O-C 3.33Å; V14-D17 VanDerWaalsContact O-C 3.24Å; V14-D17 PolarHBondContact O-N 3.12Å; V14-Y18 HydrophobicContact CG1-CD1 4.22Å; V14-Y18 HydrophobicContact CG1-CE1 4.23Å; V14-Y18 WeakPolarHBondContact O-CD1 3.25Å; V14-Y18 PolarHBondContact O-N 3.44Å; V14-H21 HydrophobicContact CG1-CB 4.2Å; V14-L65 HydrophobicContact CG1-CD1 3.91Å; V14-M111 HydrophobicContact CG2-CE 4.45Å; V14-M111 HydrophobicContact CG2-CG 4.16Å; V14-A115 HydrophobicContact CG2-CB 4.27Å
15	E	98.1	Very high	98.3	Very high	82 Å²	82	48.4 Å²	48.4	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-69.5	-31.8	179.7	178.6	151.3	-131.6	0	0	113.4	W11 G12 D17 Y18 K73	W11-E15 PolarHBondContact O-N 3.37Å; G12-E15 PolarHBondContact O-N 3.32Å; E15-D17 VanDerWaalsContact C-N 3.26Å; E15-D17 PolarHBondContact O-N 3.43Å; E15-Y18 VanDerWaalsContact CA-CZ 3.49Å; E15-Y18 HydrophobicContact CB-CE1 4.34Å; E15-Y18 HydrophobicContact CB-CE2 4.15Å; E15-Y18 WeakPolarHBondContact CB-OH 3.37Å; E15-Y18 HydrophobicContact CG-CE2 3.82Å; E15-Y18 WeakPolarHBondContact CG-OH 3.44Å; E15-Y18 PolarHBondContact OE1-OH 3.28Å; E15-Y18 VanDerWaalsContact OE1-OH 3.12Å; E15-K73 IonicContact OE1-NZ 3.27Å; E15-K73 PolarHBondContact OE1-NZ 2.88Å; E15-K73 IonicContact OE2-NZ 2.88Å; E15-K73 PolarHBondContact OE2-NZ 2.95Å
16	A	98.3	Very high	98.3	Very high	88 Å²	88	45 Å²	45	73%	0.727	25%	0.253	S	S	*	.	H	α-helix	trans	-64.3	-29.8	175.7	0	0	0	0	0	112.9	G12	G12-A16 WeakPolarHBondContact O-CB 3.45Å; G12-A16 PolarHBondContact O-N 3.42Å
17	D	98.2	Very high	98.4	Very high	65 Å²	65	41.7 Å²	41.7	35%	0.348	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-147.9	77.4	176.1	-169.8	-7.4	0	0	0	112.6	V14 E15 N19 T20 H21	V14-D17 CarbonylContact O-C 3.33Å; V14-D17 VanDerWaalsContact O-C 3.24Å; V14-D17 PolarHBondContact O-N 3.12Å; E15-D17 VanDerWaalsContact C-N 3.26Å; E15-D17 PolarHBondContact O-N 3.43Å; D17-N19 PolarHBondContact O-N 3.19Å; D17-N19 PolarHBondContact OD1-N 3.34Å; D17-T20 VanDerWaalsContact CG-CB 3.46Å; D17-T20 VanDerWaalsContact CG-OG1 3.23Å; D17-T20 PolarHBondContact O-N 3.09Å; D17-T20 PolarHBondContact OD1-N 3.05Å; D17-T20 PolarHBondContact OD1-OG1 3.26Å; D17-T20 WeakPolarHBondContact OD2-CB 3.32Å; D17-T20 PolarHBondContact OD2-OG1 3.38Å; D17-H21 PolarHBondContact O-N 3.31Å; D17-H21 PolarHBondContact O-ND1 3.08Å
18	Y	98.8	Very high	98.4	Very high	26 Å²	26	44.4 Å²	44.4	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-28	176.5	-74.7	-59.2	0	0	0	113.6	W11 V14 E15 G22 A62 L65 K66	W11-Y18 HydrophobicContact CZ2-CE1 4.12Å; W11-Y18 AromaticContact NE1-CE1 3.91Å; W11-Y18 PolarHBondContact NE1-OH 3.33Å; V14-Y18 HydrophobicContact CG1-CD1 4.22Å; V14-Y18 HydrophobicContact CG1-CE1 4.23Å; V14-Y18 WeakPolarHBondContact O-CD1 3.25Å; V14-Y18 PolarHBondContact O-N 3.44Å; E15-Y18 VanDerWaalsContact CA-CZ 3.49Å; E15-Y18 HydrophobicContact CB-CE1 4.34Å; E15-Y18 HydrophobicContact CB-CE2 4.15Å; E15-Y18 WeakPolarHBondContact CB-OH 3.37Å; E15-Y18 HydrophobicContact CG-CE2 3.82Å; E15-Y18 WeakPolarHBondContact CG-OH 3.44Å; E15-Y18 PolarHBondContact OE1-OH 3.28Å; E15-Y18 VanDerWaalsContact OE1-OH 3.12Å; Y18-G22 WeakPolarHBondContact O-CA 3.44Å; Y18-G22 PolarHBondContact O-N 2.8Å; Y18-A62 WeakPolarHBondContact O-CA 3.48Å; Y18-L65 HydrophobicContact CD1-CB 3.62Å; Y18-L65 HydrophobicContact CD1-CD1 4.49Å; Y18-L65 HydrophobicContact CE1-CB 4.03Å; Y18-K66 HydrophobicContact CD1-CG 4.26Å; Y18-K66 HydrophobicContact CD2-CD 4.29Å; Y18-K66 HydrophobicContact CD2-CG 3.63Å; Y18-K66 HydrophobicContact CE1-CG 4.31Å; Y18-K66 HydrophobicContact CE2-CG 3.68Å; Y18-K66 HydrophobicContact CG-CG 3.92Å
19	N	98.6	Very high	98.4	Very high	83 Å²	83	42.8 Å²	42.8	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-72.3	-47.5	-177.6	-76.8	-58	0	0	0	110.8	D17 G22 N23	D17-N19 PolarHBondContact O-N 3.19Å; D17-N19 PolarHBondContact OD1-N 3.34Å; N19-G22 PolarHBondContact O-N 3.02Å; N19-N23 WeakPolarHBondContact O-CB 3.43Å; N19-N23 PolarHBondContact O-N 3.01Å
20	T	98.5	Very high	98.5	Very high	70 Å²	70	34.6 Å²	34.6	43%	0.429	20%	0.203	S	C	.	.	H	α-helix	trans	-65.4	-50.3	179	-63.6	0	0	0	0	111	D17 G22 N23 L24	D17-T20 VanDerWaalsContact CG-CB 3.46Å; D17-T20 VanDerWaalsContact CG-OG1 3.23Å; D17-T20 PolarHBondContact O-N 3.09Å; D17-T20 PolarHBondContact OD1-N 3.05Å; D17-T20 PolarHBondContact OD1-OG1 3.26Å; D17-T20 WeakPolarHBondContact OD2-CB 3.32Å; D17-T20 PolarHBondContact OD2-OG1 3.38Å; T20-G22 VanDerWaalsContact C-N 3.32Å; T20-G22 PolarHBondContact O-N 3.09Å; T20-N23 PolarHBondContact O-N 2.84Å; T20-L24 HydrophobicContact CG2-CD1 4.36Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 3.33Å
21	H	98.7	Very high	98.5	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-38.5	178.8	-66.6	88.1	0	0	0	111.8	P13 V14 D17 L24 V25 L65	P13-H21 PolarHBondContact O-CE1 2.95Å; V14-H21 HydrophobicContact CG1-CB 4.2Å; D17-H21 PolarHBondContact O-N 3.31Å; D17-H21 PolarHBondContact O-ND1 3.08Å; H21-L24 PolarHBondContact O-N 3.09Å; H21-V25 WeakPolarHBondContact O-CG2 3.09Å; H21-V25 PolarHBondContact O-N 2.95Å; H21-L65 HydrophobicContact CB-CD1 3.71Å
22	G	98.6	Very high	98.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-41.2	177.2	0	0	0	0	0	112.5	Y18 N19 T20 V25 L26 L65	Y18-G22 WeakPolarHBondContact O-CA 3.44Å; Y18-G22 PolarHBondContact O-N 2.8Å; N19-G22 PolarHBondContact O-N 3.02Å; T20-G22 VanDerWaalsContact C-N 3.32Å; T20-G22 PolarHBondContact O-N 3.09Å; G22-V25 PolarHBondContact O-N 3.46Å; G22-L26 PolarHBondContact O-N 3.34Å; G22-L65 VanDerWaalsContact N-CD1 3.3Å
23	N	98.8	Very high	98.5	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-48.6	173.3	-172.4	-74.7	0	0	0	111.1	N19 T20 V25 L26 T27 L51 A52 S58	N19-N23 WeakPolarHBondContact O-CB 3.43Å; N19-N23 PolarHBondContact O-N 3.01Å; T20-N23 PolarHBondContact O-N 2.84Å; N23-V25 VanDerWaalsContact C-N 3.29Å; N23-V25 PolarHBondContact O-N 3.5Å; N23-L26 PolarHBondContact O-N 2.73Å; N23-T27 WeakPolarHBondContact O-CB 3.49Å; N23-T27 PolarHBondContact O-N 2.82Å; N23-T27 PolarHBondContact O-OG1 3.43Å; N23-T27 PolarHBondContact OD1-OG1 2.91Å; N23-L51 PolarHBondContact ND2-O 3.28Å; N23-A52 PolarHBondContact ND2-O 3.34Å; N23-A52 WeakPolarHBondContact OD1-CA 3.35Å; N23-A52 PolarHBondContact OD1-O 3.48Å; N23-S58 WeakPolarHBondContact CB-OG 3.3Å; N23-S58 PolarHBondContact ND2-OG 2.88Å
24	L	98.8	Very high	98.5	Very high	50 Å²	50	41.9 Å²	41.9	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-56.8	-44.7	179.1	-70.6	172.7	0	0	0	111.6	T20 H21 R28 I110 R114	T20-L24 HydrophobicContact CG2-CD1 4.36Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 3.33Å; H21-L24 PolarHBondContact O-N 3.09Å; L24-R28 WeakPolarHBondContact O-CB 3.32Å; L24-R28 PolarHBondContact O-N 2.99Å; L24-I110 HydrophobicContact CB-CD1 4.04Å; L24-I110 HydrophobicContact CB-CG1 4.46Å; L24-I110 HydrophobicContact CB-CG2 4.28Å; L24-R114 HydrophobicContact CD1-CG 4.16Å
25	V	98.9	Very high	98.5	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-53.1	178	168	0	0	0	0	111.5	H21 G22 N23 R28 L29 I103 V106 I107 I110	H21-V25 WeakPolarHBondContact O-CG2 3.09Å; H21-V25 PolarHBondContact O-N 2.95Å; G22-V25 PolarHBondContact O-N 3.46Å; N23-V25 VanDerWaalsContact C-N 3.29Å; N23-V25 PolarHBondContact O-N 3.5Å; V25-R28 PolarHBondContact O-N 3.14Å; V25-L29 VanDerWaalsContact O-CB 3.29Å; V25-L29 WeakPolarHBondContact O-CB 3.16Å; V25-L29 PolarHBondContact O-N 2.97Å; V25-I103 HydrophobicContact CG1-CD1 4.24Å; V25-I103 HydrophobicContact CG1-CG1 3.95Å; V25-V106 HydrophobicContact CB-CG1 4.49Å; V25-V106 HydrophobicContact CG1-CG1 4.19Å; V25-V106 WeakPolarHBondContact O-CG1 3.35Å; V25-I107 HydrophobicContact CG1-CD1 4.44Å; V25-I107 HydrophobicContact CG1-CG1 3.74Å; V25-I107 HydrophobicContact CG2-CG1 3.96Å; V25-I110 HydrophobicContact CG2-CB 4.12Å; V25-I110 HydrophobicContact CG2-CG1 4.04Å; V25-I110 HydrophobicContact CG2-CG2 4.13Å
26	L	98.8	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70.4	-39.2	-177	-68.8	-173.5	0	0	0	112.6	G22 N23 R28 L29 F30 V57 H60 I103	G22-L26 PolarHBondContact O-N 3.34Å; N23-L26 PolarHBondContact O-N 2.73Å; L26-R28 PolarHBondContact O-N 3.03Å; L26-L29 HydrophobicContact CD2-CD2 4.32Å; L26-L29 PolarHBondContact O-N 2.96Å; L26-F30 HydrophobicContact CB-CE2 4.18Å; L26-F30 HydrophobicContact CB-CZ 4.37Å; L26-F30 WeakPolarHBondContact O-CB 3.16Å; L26-F30 VanDerWaalsContact O-CD2 3.23Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 WeakPolarHBondContact O-CG 3.29Å; L26-F30 PolarHBondContact O-N 3.32Å; L26-V57 HydrophobicContact CB-CG1 3.78Å; L26-V57 HydrophobicContact CD1-CG1 4.26Å; L26-H60 HydrophobicContact CD1-CB 4.14Å; L26-I103 HydrophobicContact CD2-CD1 4.25Å
27	T	98.8	Very high	98.5	Very high	17 Å²	17	38.7 Å²	38.7	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-48.1	175.2	-65.5	0	0	0	0	110.2	N23 F30 H31 L51 A52	N23-T27 WeakPolarHBondContact O-CB 3.49Å; N23-T27 PolarHBondContact O-N 2.82Å; N23-T27 PolarHBondContact O-OG1 3.43Å; N23-T27 PolarHBondContact OD1-OG1 2.91Å; T27-F30 PolarHBondContact O-N 2.93Å; T27-H31 PolarHBondContact O-CD2 2.9Å; T27-H31 VanDerWaalsContact O-CD2 3.26Å; T27-H31 PolarHBondContact O-N 2.77Å; T27-L51 HydrophobicContact CG2-CB 4.06Å; T27-A52 HydrophobicContact CG2-CB 4.37Å
28	R	98.8	Very high	98.4	Very high	56 Å²	56	43.4 Å²	43.4	21%	0.211	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-44.9	178.3	-175.5	168.7	-177.5	167.9	3.1	112.4	L24 V25 L26 F30 H31 E32 V106 E113	L24-R28 WeakPolarHBondContact O-CB 3.32Å; L24-R28 PolarHBondContact O-N 2.99Å; V25-R28 PolarHBondContact O-N 3.14Å; L26-R28 PolarHBondContact O-N 3.03Å; R28-F30 VanDerWaalsContact C-N 3.29Å; R28-F30 PolarHBondContact O-N 2.97Å; R28-H31 PolarHBondContact O-N 2.85Å; R28-H31 VanDerWaalsContact O-N 3.09Å; R28-E32 HydrophobicContact CG-CG 4.2Å; R28-E32 WeakPolarHBondContact CG-OE1 3.42Å; R28-E32 IonicContact CZ-OE1 2.65Å; R28-E32 IonicContact NE-OE1 3.97Å; R28-E32 PolarHBondContact NE-OE1 2.92Å; R28-E32 IonicContact NE-OE2 3.69Å; R28-E32 IonicContact NH2-OE1 3.44Å; R28-E32 PolarHBondContact NH2-OE1 3.03Å; R28-E32 PolarHBondContact O-N 3.45Å; R28-V106 HydrophobicContact CB-CG1 3.85Å; R28-V106 HydrophobicContact CG-CG1 3.95Å; R28-E113 IonicContact CZ-OE1 2.73Å; R28-E113 VanDerWaalsContact NH1-CD 3.34Å; R28-E113 IonicContact NH1-OE1 3.91Å; R28-E113 PolarHBondContact NH1-OE1 3.37Å; R28-E113 IonicContact NH1-OE2 3.28Å; R28-E113 PolarHBondContact NH1-OE2 3.29Å; R28-E113 IonicContact NH2-OE1 3.91Å
29	L	98.8	Very high	98.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-54.7	-45.9	174.6	177.8	66.9	0	0	0	111.3	V25 L26 H31 H33 T36 L102 I103 V106	V25-L29 VanDerWaalsContact O-CB 3.29Å; V25-L29 WeakPolarHBondContact O-CB 3.16Å; V25-L29 PolarHBondContact O-N 2.97Å; L26-L29 HydrophobicContact CD2-CD2 4.32Å; L26-L29 PolarHBondContact O-N 2.96Å; L29-H31 PolarHBondContact O-N 2.92Å; L29-H33 HydrophobicContact CD1-CB 4.3Å; L29-H33 CarbonylContact O-C 3.47Å; L29-H33 WeakPolarHBondContact O-CA 3.26Å; L29-H33 VanDerWaalsContact O-CB 3.32Å; L29-H33 WeakPolarHBondContact O-CB 3.39Å; L29-H33 PolarHBondContact O-N 3.33Å; L29-T36 HydrophobicContact CD1-CG2 4.03Å; L29-T36 HydrophobicContact CG-CG2 4.3Å; L29-L102 HydrophobicContact CD1-CB 4.01Å; L29-I103 HydrophobicContact CD1-CB 4.38Å; L29-I103 HydrophobicContact CD2-CB 4.15Å; L29-I103 HydrophobicContact CD2-CD1 4.02Å; L29-I103 HydrophobicContact CD2-CG1 4.03Å; L29-V106 HydrophobicContact CB-CG1 4.49Å; L29-V106 HydrophobicContact CB-CG2 4.31Å; L29-V106 HydrophobicContact CD1-CG2 4.24Å
30	F	98.7	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.6	-32.4	179.3	-61.6	-22	0	0	0	112.4	L26 T27 R28 P34 T36 Q37 F40 F43 K48 L51	L26-F30 HydrophobicContact CB-CE2 4.18Å; L26-F30 HydrophobicContact CB-CZ 4.37Å; L26-F30 WeakPolarHBondContact O-CB 3.16Å; L26-F30 VanDerWaalsContact O-CD2 3.23Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 WeakPolarHBondContact O-CG 3.29Å; L26-F30 PolarHBondContact O-N 3.32Å; T27-F30 PolarHBondContact O-N 2.93Å; R28-F30 VanDerWaalsContact C-N 3.29Å; R28-F30 PolarHBondContact O-N 2.97Å; F30-P34 VanDerWaalsContact O-CA 3.28Å; F30-P34 WeakPolarHBondContact O-CA 3.09Å; F30-T36 WeakPolarHBondContact CD1-OG1 3.23Å; F30-Q37 HydrophobicContact CB-CB 4.08Å; F30-Q37 HydrophobicContact CB-CG 4.34Å; F30-Q37 HydrophobicContact CD1-CB 3.62Å; F30-Q37 HydrophobicContact CD1-CG 4.1Å; F30-Q37 HydrophobicContact CD2-CB 4.29Å; F30-Q37 HydrophobicContact CD2-CG 3.89Å; F30-Q37 HydrophobicContact CE1-CB 4.11Å; F30-Q37 HydrophobicContact CE1-CG 4.4Å; F30-Q37 HydrophobicContact CE2-CG 4.19Å; F30-Q37 HydrophobicContact CG-CB 3.73Å; F30-Q37 HydrophobicContact CG-CG 3.84Å; F30-Q37 HydrophobicContact CZ-CG 4.44Å; F30-F40 AromaticContact CE1-CD2 3.53Å; F30-F40 HydrophobicContact CE1-CD2 3.53Å; F30-F40 AromaticContact CE1-CE2 3.61Å; F30-F40 HydrophobicContact CE1-CE2 3.61Å; F30-F40 HydrophobicContact CE1-CG 4.35Å; F30-F40 HydrophobicContact CE1-CZ 4.46Å; F30-F40 HydrophobicContact CZ-CB 4.45Å; F30-F40 AromaticContact CZ-CD2 3.58Å; F30-F40 HydrophobicContact CZ-CD2 3.58Å; F30-F40 AromaticContact CZ-CE2 3.91Å; F30-F40 HydrophobicContact CZ-CE2 3.91Å; F30-F40 AromaticContact CZ-CG 3.95Å; F30-F40 HydrophobicContact CZ-CG 3.95Å; F30-F40 HydrophobicContact CZ-CZ 4.5Å; F30-F43 HydrophobicContact CE2-CB 4.33Å; F30-F43 HydrophobicContact CE2-CD2 4.22Å; F30-F43 HydrophobicContact CZ-CD2 4.26Å; F30-K48 PolarHBondContact O-NZ 3.48Å; F30-L51 HydrophobicContact CB-CD1 3.78Å; F30-L51 HydrophobicContact CD2-CD1 3.91Å; F30-L51 HydrophobicContact CD2-CD2 3.83Å; F30-L51 HydrophobicContact CE2-CD2 4.35Å; F30-L51 HydrophobicContact CG-CD1 4.36Å
31	H	98.5	Very high	98.2	Very high	98 Å²	98	44.9 Å²	44.9	45%	0.454	22%	0.224	S	C	.	.	H	α-helix	trans	-71	-48	175.5	-89.1	-81.9	0	0	0	112.5	T27 R28 L29 K48	T27-H31 PolarHBondContact O-CD2 2.9Å; T27-H31 VanDerWaalsContact O-CD2 3.26Å; T27-H31 PolarHBondContact O-N 2.77Å; R28-H31 PolarHBondContact O-N 2.85Å; R28-H31 VanDerWaalsContact O-N 3.09Å; L29-H31 PolarHBondContact O-N 2.92Å; H31-K48 PolarHBondContact NE2-O 3.11Å; H31-K48 VanDerWaalsContact NE2-O 3.16Å
32	E	98.4	Very high	98.1	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-76.3	-30.5	-177.1	-66.6	-179.7	176.6	0	0	112.6	R28	R28-E32 HydrophobicContact CG-CG 4.2Å; R28-E32 WeakPolarHBondContact CG-OE1 3.42Å; R28-E32 IonicContact CZ-OE1 2.65Å; R28-E32 IonicContact NE-OE1 3.97Å; R28-E32 PolarHBondContact NE-OE1 2.92Å; R28-E32 IonicContact NE-OE2 3.69Å; R28-E32 IonicContact NH2-OE1 3.44Å; R28-E32 PolarHBondContact NH2-OE1 3.03Å; R28-E32 PolarHBondContact O-N 3.45Å
33	H	98.3	Very high	98.1	Very high	45 Å²	45	53.3 Å²	53.3	21%	0.208	26%	0.261	C	S	.	.			trans	-131.8	71.6	-177.5	-58.1	-65.9	0	0	0	111.1	L29 E35 T36 L102	L29-H33 HydrophobicContact CD1-CB 4.3Å; L29-H33 CarbonylContact O-C 3.47Å; L29-H33 WeakPolarHBondContact O-CA 3.26Å; L29-H33 VanDerWaalsContact O-CB 3.32Å; L29-H33 WeakPolarHBondContact O-CB 3.39Å; L29-H33 PolarHBondContact O-N 3.33Å; H33-E35 WeakPolarHBondContact CA-OE2 3.25Å; H33-E35 WeakPolarHBondContact CB-OE1 3.16Å; H33-E35 IonicContact ND1-OE1 3.93Å; H33-E35 PolarHBondContact O-N 3.39Å; H33-E35 VanDerWaalsContact O-N 3.08Å; H33-T36 HydrophobicContact CB-CG2 3.56Å; H33-T36 WeakPolarHBondContact O-CB 3.45Å; H33-T36 WeakPolarHBondContact O-CG2 3.27Å; H33-T36 PolarHBondContact O-N 3.24Å; H33-T36 PolarHBondContact O-OG1 3.13Å; H33-L102 HydrophobicContact CB-CD1 4.12Å
34	P	97.4	Very high	98	Very high	63 Å²	63	55 Å²	55	41%	0.409	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-26.5	-172.3	-25.9	35.6	0	0	0	115.6	F30 T36 Q37	F30-P34 VanDerWaalsContact O-CA 3.28Å; F30-P34 WeakPolarHBondContact O-CA 3.09Å; P34-T36 PolarHBondContact O-N 3.23Å; P34-Q37 PolarHBondContact O-N 3.43Å
35	E	97.3	Very high	97.8	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-30.8	174.1	73.5	-72.6	177.1	0	0	112.7	H33 Q37 K38	H33-E35 WeakPolarHBondContact CA-OE2 3.25Å; H33-E35 WeakPolarHBondContact CB-OE1 3.16Å; H33-E35 IonicContact ND1-OE1 3.93Å; H33-E35 PolarHBondContact O-N 3.39Å; H33-E35 VanDerWaalsContact O-N 3.08Å; E35-Q37 VanDerWaalsContact C-N 3.32Å; E35-Q37 PolarHBondContact O-N 3.02Å; E35-K38 WeakPolarHBondContact O-CB 3.17Å; E35-K38 PolarHBondContact O-N 3.1Å
36	T	98.3	Very high	97.8	Very high	2 Å²	2	58 Å²	58	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-32.7	-180	66.5	0	0	0	0	111.6	L29 F30 H33 P34 K38 L39 F40 N99 L102	L29-T36 HydrophobicContact CD1-CG2 4.03Å; L29-T36 HydrophobicContact CG-CG2 4.3Å; F30-T36 WeakPolarHBondContact CD1-OG1 3.23Å; H33-T36 HydrophobicContact CB-CG2 3.56Å; H33-T36 WeakPolarHBondContact O-CB 3.45Å; H33-T36 WeakPolarHBondContact O-CG2 3.27Å; H33-T36 PolarHBondContact O-N 3.24Å; H33-T36 PolarHBondContact O-OG1 3.13Å; P34-T36 PolarHBondContact O-N 3.23Å; T36-K38 PolarHBondContact O-N 2.89Å; T36-L39 VanDerWaalsContact O-CB 3.25Å; T36-L39 WeakPolarHBondContact O-CB 3.49Å; T36-L39 PolarHBondContact O-N 3.29Å; T36-F40 VanDerWaalsContact O-CD2 3.23Å; T36-F40 WeakPolarHBondContact O-CD2 3.43Å; T36-N99 WeakPolarHBondContact CG2-OD1 3.36Å; T36-L102 HydrophobicContact CG2-CD1 3.9Å
37	Q	98.3	Very high	97.7	Very high	11 Å²	11	60.5 Å²	60.5	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-32.2	179.5	-168.8	-177.7	-9.9	0	0	111.9	F30 P34 E35 L39 F40 F43 I46 K48	F30-Q37 HydrophobicContact CB-CB 4.08Å; F30-Q37 HydrophobicContact CB-CG 4.34Å; F30-Q37 HydrophobicContact CD1-CB 3.62Å; F30-Q37 HydrophobicContact CD1-CG 4.1Å; F30-Q37 HydrophobicContact CD2-CB 4.29Å; F30-Q37 HydrophobicContact CD2-CG 3.89Å; F30-Q37 HydrophobicContact CE1-CB 4.11Å; F30-Q37 HydrophobicContact CE1-CG 4.4Å; F30-Q37 HydrophobicContact CE2-CG 4.19Å; F30-Q37 HydrophobicContact CG-CB 3.73Å; F30-Q37 HydrophobicContact CG-CG 3.84Å; F30-Q37 HydrophobicContact CZ-CG 4.44Å; P34-Q37 PolarHBondContact O-N 3.43Å; E35-Q37 VanDerWaalsContact C-N 3.32Å; E35-Q37 PolarHBondContact O-N 3.02Å; Q37-L39 PolarHBondContact O-N 3.28Å; Q37-F40 PolarHBondContact O-N 3.01Å; Q37-F43 PolarHBondContact NE2-O 2.68Å; Q37-I46 PolarHBondContact NE2-O 3.18Å; Q37-K48 VanDerWaalsContact OE1-CE 3.32Å
38	K	97.2	Very high	97.6	Very high	163 Å²	163	62.7 Å²	62.7	71%	0.709	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.8	178	-59.4	178.6	-178.2	176	0	112.4	E35 T36 F40	E35-K38 WeakPolarHBondContact O-CB 3.17Å; E35-K38 PolarHBondContact O-N 3.1Å; T36-K38 PolarHBondContact O-N 2.89Å; K38-F40 PolarHBondContact O-N 2.98Å
39	L	97	Very high	97.6	Very high	52 Å²	52	63.2 Å²	63.2	27%	0.272	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.7	175.6	-53.9	175.3	0	0	0	112.7	T36 Q37 P41 I95 N99	T36-L39 VanDerWaalsContact O-CB 3.25Å; T36-L39 WeakPolarHBondContact O-CB 3.49Å; T36-L39 PolarHBondContact O-N 3.29Å; Q37-L39 PolarHBondContact O-N 3.28Å; L39-P41 WeakPolarHBondContact O-CD 3.42Å; L39-I95 HydrophobicContact CB-CD1 3.78Å; L39-I95 HydrophobicContact CD1-CD1 4.08Å; L39-I95 HydrophobicContact CG-CD1 4.39Å; L39-N99 HydrophobicContact CD1-CB 4.5Å; L39-N99 WeakPolarHBondContact CD1-OD1 3.42Å
40	F	97.3	Very high	97.5	Very high	41 Å²	41	67.3 Å²	67.3	18%	0.18	39%	0.386	C	S	.	.			trans	-113.3	88.6	175.8	-60.6	-97.8	0	0	0	109.2	F30 T36 Q37 K38 K42 F43 A44 H60	F30-F40 AromaticContact CE1-CD2 3.53Å; F30-F40 HydrophobicContact CE1-CD2 3.53Å; F30-F40 AromaticContact CE1-CE2 3.61Å; F30-F40 HydrophobicContact CE1-CE2 3.61Å; F30-F40 HydrophobicContact CE1-CG 4.35Å; F30-F40 HydrophobicContact CE1-CZ 4.46Å; F30-F40 HydrophobicContact CZ-CB 4.45Å; F30-F40 AromaticContact CZ-CD2 3.58Å; F30-F40 HydrophobicContact CZ-CD2 3.58Å; F30-F40 AromaticContact CZ-CE2 3.91Å; F30-F40 HydrophobicContact CZ-CE2 3.91Å; F30-F40 AromaticContact CZ-CG 3.95Å; F30-F40 HydrophobicContact CZ-CG 3.95Å; F30-F40 HydrophobicContact CZ-CZ 4.5Å; T36-F40 VanDerWaalsContact O-CD2 3.23Å; T36-F40 WeakPolarHBondContact O-CD2 3.43Å; Q37-F40 PolarHBondContact O-N 3.01Å; K38-F40 PolarHBondContact O-N 2.98Å; F40-K42 PolarHBondContact O-N 2.91Å; F40-F43 HydrophobicContact CB-CB 4.08Å; F40-F43 HydrophobicContact CB-CD2 3.65Å; F40-F43 HydrophobicContact CB-CG 4.21Å; F40-F43 HydrophobicContact CD1-CD2 4.1Å; F40-F43 HydrophobicContact CD1-CE2 4.26Å; F40-F43 HydrophobicContact CG-CD2 4.07Å; F40-F43 CarbonylContact O-C 3.46Å; F40-F43 WeakPolarHBondContact O-CA 3.41Å; F40-F43 PolarHBondContact O-N 3.28Å; F40-A44 PolarHBondContact O-N 3.44Å; F40-H60 AromaticContact CD1-CD2 3.83Å; F40-H60 AromaticContact CD1-NE2 3.68Å; F40-H60 AromaticContact CE1-CD2 3.62Å; F40-H60 AromaticContact CE1-NE2 3.36Å; F40-H60 WeakPolarHBondContact CE1-NE2 3.45Å
41	P	96.8	Very high	97.5	Very high	117 Å²	117	67.3 Å²	67.3	76%	0.76	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.1	-176.2	-29.5	35.3	0	0	0	114.3	L39 F43	L39-P41 WeakPolarHBondContact O-CD 3.42Å; P41-F43 PolarHBondContact O-N 2.64Å
42	K	96.8	Very high	97.5	Very high	187 Å²	187	65.7 Å²	65.7	81%	0.813	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.7	175.9	-66.8	-173.7	177	-175.9	0	113.7	F40	F40-K42 PolarHBondContact O-N 2.91Å
43	F	98.1	Very high	97.4	Very high	10 Å²	10	66 Å²	66	4%	0.044	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-13	-173.6	-50.2	-36.4	0	0	0	113	F30 Q37 F40 P41 G45 I46 A56 V57 H60	F30-F43 HydrophobicContact CE2-CB 4.33Å; F30-F43 HydrophobicContact CE2-CD2 4.22Å; F30-F43 HydrophobicContact CZ-CD2 4.26Å; Q37-F43 PolarHBondContact NE2-O 2.68Å; F40-F43 HydrophobicContact CB-CB 4.08Å; F40-F43 HydrophobicContact CB-CD2 3.65Å; F40-F43 HydrophobicContact CB-CG 4.21Å; F40-F43 HydrophobicContact CD1-CD2 4.1Å; F40-F43 HydrophobicContact CD1-CE2 4.26Å; F40-F43 HydrophobicContact CG-CD2 4.07Å; F40-F43 CarbonylContact O-C 3.46Å; F40-F43 WeakPolarHBondContact O-CA 3.41Å; F40-F43 PolarHBondContact O-N 3.28Å; P41-F43 PolarHBondContact O-N 2.64Å; F43-G45 PolarHBondContact O-N 3.49Å; F43-I46 HydrophobicContact CB-CD1 4Å; F43-I46 HydrophobicContact CD1-CD1 3.77Å; F43-I46 HydrophobicContact CG-CD1 4.29Å; F43-I46 WeakPolarHBondContact O-CB 3.49Å; F43-I46 PolarHBondContact O-N 3.45Å; F43-A56 HydrophobicContact CE1-CB 3.89Å; F43-A56 HydrophobicContact CZ-CB 4.5Å; F43-A56 WeakPolarHBondContact CZ-O 3.49Å; F43-V57 HydrophobicContact CD1-CG2 4.02Å; F43-V57 HydrophobicContact CD2-CG2 4.42Å; F43-V57 HydrophobicContact CE1-CG2 4.21Å; F43-V57 HydrophobicContact CG-CG2 4.15Å; F43-V57 HydrophobicContact CZ-CG2 4.49Å; F43-H60 HydrophobicContact CE2-CB 3.73Å; F43-H60 AromaticContact CE2-CD2 3.88Å; F43-H60 AromaticContact CE2-CG 3.87Å; F43-H60 HydrophobicContact CZ-CB 3.71Å
44	A	96.1	Very high	97.4	Very high	49 Å²	49	65.9 Å²	65.9	41%	0.405	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.9	-173.6	0	0	0	0	0	114.7	F40	F40-A44 PolarHBondContact O-N 3.44Å
45	G	95.4	Very high	97.5	Very high	83 Å²	83	66.5 Å²	66.5	86%	0.856	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.2	178.9	0	0	0	0	0	115.5	F43 A47	F43-G45 PolarHBondContact O-N 3.49Å; G45-A47 PolarHBondContact O-N 3.27Å
46	I	97.9	Very high	97.5	Very high	31 Å²	31	64.5 Å²	64.5	16%	0.159	41%	0.413	C	S	.	.	S	Bend	trans	-74.8	128.2	-179	-58.5	173	0	0	0	109	Q37 F43 D50 L51 V57	Q37-I46 PolarHBondContact NE2-O 3.18Å; F43-I46 HydrophobicContact CB-CD1 4Å; F43-I46 HydrophobicContact CD1-CD1 3.77Å; F43-I46 HydrophobicContact CG-CD1 4.29Å; F43-I46 WeakPolarHBondContact O-CB 3.49Å; F43-I46 PolarHBondContact O-N 3.45Å; I46-D50 HydrophobicContact CG2-CB 3.9Å; I46-L51 HydrophobicContact CB-CD2 3.99Å; I46-L51 HydrophobicContact CG2-CD2 3.76Å; I46-L51 HydrophobicContact CG2-CG 4.17Å; I46-V57 HydrophobicContact CD1-CG2 4.27Å
47	A	97.9	Very high	97.6	Very high	54 Å²	54	64.4 Å²	64.4	45%	0.446	41%	0.412	S	S	.	.			trans	-64.4	146.4	175	0	0	0	0	0	110.7	G45 G49 D50 L51	G45-A47 PolarHBondContact O-N 3.27Å; A47-G49 PolarHBondContact O-N 3.11Å; A47-G49 VanDerWaalsContact O-N 3.14Å; A47-D50 PolarHBondContact O-N 3.41Å; A47-L51 PolarHBondContact O-N 3.34Å
48	K	97.1	Very high	97.6	Very high	63 Å²	63	65 Å²	65	27%	0.274	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.8	-174.8	-63	-63.4	-174.5	-177.7	0	113.8	F30 H31 Q37 D50 L51	F30-K48 PolarHBondContact O-NZ 3.48Å; H31-K48 PolarHBondContact NE2-O 3.11Å; H31-K48 VanDerWaalsContact NE2-O 3.16Å; Q37-K48 VanDerWaalsContact OE1-CE 3.32Å; K48-D50 VanDerWaalsContact C-N 3.28Å; K48-D50 PolarHBondContact O-N 3.15Å; K48-L51 HydrophobicContact CD-CD1 3.93Å
49	G	97.6	Very high	97.7	Very high	66 Å²	66	59.6 Å²	59.6	68%	0.68	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.2	176.3	0	0	0	0	0	114	A47	A47-G49 PolarHBondContact O-N 3.11Å; A47-G49 VanDerWaalsContact O-N 3.14Å
50	D	98.1	Very high	97.7	Very high	92 Å²	92	60.4 Å²	60.4	49%	0.492	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-11.1	-174.1	-57.9	-31.4	0	0	0	113	I46 A47 K48 A52 S53 N54	I46-D50 HydrophobicContact CG2-CB 3.9Å; A47-D50 PolarHBondContact O-N 3.41Å; K48-D50 VanDerWaalsContact C-N 3.28Å; K48-D50 PolarHBondContact O-N 3.15Å; D50-A52 PolarHBondContact O-N 2.94Å; D50-S53 PolarHBondContact O-N 3.02Å; D50-S53 PolarHBondContact O-OG 3.02Å; D50-S53 VanDerWaalsContact O-OG 3.12Å; D50-N54 WeakPolarHBondContact O-CB 3.34Å; D50-N54 PolarHBondContact O-N 2.98Å
51	L	98.1	Very high	97.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-59.9	-43.7	-178	-72.2	172.2	0	0	0	112.3	N23 T27 F30 I46 A47 K48 S53 N54 V57	N23-L51 PolarHBondContact ND2-O 3.28Å; T27-L51 HydrophobicContact CG2-CB 4.06Å; F30-L51 HydrophobicContact CB-CD1 3.78Å; F30-L51 HydrophobicContact CD2-CD1 3.91Å; F30-L51 HydrophobicContact CD2-CD2 3.83Å; F30-L51 HydrophobicContact CE2-CD2 4.35Å; F30-L51 HydrophobicContact CG-CD1 4.36Å; I46-L51 HydrophobicContact CB-CD2 3.99Å; I46-L51 HydrophobicContact CG2-CD2 3.76Å; I46-L51 HydrophobicContact CG2-CG 4.17Å; A47-L51 PolarHBondContact O-N 3.34Å; K48-L51 HydrophobicContact CD-CD1 3.93Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 3.09Å; L51-N54 WeakPolarHBondContact O-CB 3.37Å; L51-N54 PolarHBondContact O-N 3.12Å; L51-N54 VanDerWaalsContact O-N 3.09Å; L51-V57 HydrophobicContact CD2-CG2 4.06Å
52	A	97.4	Very high	97.9	Very high	64 Å²	64	53.1 Å²	53.1	53%	0.529	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.1	-175.5	0	0	0	0	0	112.7	N23 T27 D50	N23-A52 PolarHBondContact ND2-O 3.34Å; N23-A52 WeakPolarHBondContact OD1-CA 3.35Å; N23-A52 PolarHBondContact OD1-O 3.48Å; T27-A52 HydrophobicContact CG2-CB 4.37Å; D50-A52 PolarHBondContact O-N 2.94Å
53	S	97.7	Very high	98	Very high	98 Å²	98	48.2 Å²	48.2	69%	0.685	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.9	177	49.9	0	0	0	0	113.8	D50 L51 A55	D50-S53 PolarHBondContact O-N 3.02Å; D50-S53 PolarHBondContact O-OG 3.02Å; D50-S53 VanDerWaalsContact O-OG 3.12Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 3.09Å; S53-A55 PolarHBondContact O-N 3.3Å
54	N	98.5	Very high	98	Very high	43 Å²	43	49.9 Å²	49.9	23%	0.23	36%	0.359	C	S	.	.			trans	-82.4	110	-172.9	-167.9	-69.4	0	0	0	112.1	D50 L51 A56 V57 S58	D50-N54 WeakPolarHBondContact O-CB 3.34Å; D50-N54 PolarHBondContact O-N 2.98Å; L51-N54 WeakPolarHBondContact O-CB 3.37Å; L51-N54 PolarHBondContact O-N 3.12Å; L51-N54 VanDerWaalsContact O-N 3.09Å; N54-A56 VanDerWaalsContact C-N 3.25Å; N54-A56 PolarHBondContact O-N 3.41Å; N54-A56 WeakPolarHBondContact OD1-CA 3.43Å; N54-A56 VanDerWaalsContact OD1-CB 3.3Å; N54-A56 WeakPolarHBondContact OD1-CB 3.35Å; N54-A56 PolarHBondContact OD1-N 3.3Å; N54-V57 HydrophobicContact CB-CB 4.11Å; N54-V57 HydrophobicContact CB-CG2 3.79Å; N54-V57 WeakPolarHBondContact O-CB 3.36Å; N54-V57 PolarHBondContact O-N 3.5Å; N54-V57 VanDerWaalsContact O-N 3.1Å; N54-V57 PolarHBondContact OD1-N 2.92Å; N54-V57 VanDerWaalsContact OD1-N 3.08Å; N54-S58 PolarHBondContact O-N 3.43Å; N54-S58 VanDerWaalsContact O-N 3.13Å; N54-S58 PolarHBondContact O-OG 3.1Å
55	A	98.4	Very high	98.1	Very high	76 Å²	76	47.7 Å²	47.7	63%	0.628	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-29.9	-179.8	0	0	0	0	0	114	S53 S58 A59	S53-A55 PolarHBondContact O-N 3.3Å; A55-S58 WeakPolarHBondContact O-CB 3.35Å; A55-S58 PolarHBondContact O-N 3.06Å; A55-A59 WeakPolarHBondContact O-CB 3.32Å; A55-A59 PolarHBondContact O-N 3.38Å
56	A	98.4	Very high	98.2	Very high	53 Å²	53	49 Å²	49	44%	0.438	32%	0.323	S	S	.	.	H	α-helix	trans	-73	-33.2	177.4	0	0	0	0	0	111.9	F43 N54 H60	F43-A56 HydrophobicContact CE1-CB 3.89Å; F43-A56 HydrophobicContact CZ-CB 4.5Å; F43-A56 WeakPolarHBondContact CZ-O 3.49Å; N54-A56 VanDerWaalsContact C-N 3.25Å; N54-A56 PolarHBondContact O-N 3.41Å; N54-A56 WeakPolarHBondContact OD1-CA 3.43Å; N54-A56 VanDerWaalsContact OD1-CB 3.3Å; N54-A56 WeakPolarHBondContact OD1-CB 3.35Å; N54-A56 PolarHBondContact OD1-N 3.3Å; A56-H60 WeakPolarHBondContact O-CB 3.42Å; A56-H60 PolarHBondContact O-N 2.87Å
57	V	98.6	Very high	98.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-46.6	169.9	175.8	0	0	0	0	109.7	L26 F43 I46 L51 N54 A59 H60 G61	L26-V57 HydrophobicContact CB-CG1 3.78Å; L26-V57 HydrophobicContact CD1-CG1 4.26Å; F43-V57 HydrophobicContact CD1-CG2 4.02Å; F43-V57 HydrophobicContact CD2-CG2 4.42Å; F43-V57 HydrophobicContact CE1-CG2 4.21Å; F43-V57 HydrophobicContact CG-CG2 4.15Å; F43-V57 HydrophobicContact CZ-CG2 4.49Å; I46-V57 HydrophobicContact CD1-CG2 4.27Å; L51-V57 HydrophobicContact CD2-CG2 4.06Å; N54-V57 HydrophobicContact CB-CB 4.11Å; N54-V57 HydrophobicContact CB-CG2 3.79Å; N54-V57 WeakPolarHBondContact O-CB 3.36Å; N54-V57 PolarHBondContact O-N 3.5Å; N54-V57 VanDerWaalsContact O-N 3.1Å; N54-V57 PolarHBondContact OD1-N 2.92Å; N54-V57 VanDerWaalsContact OD1-N 3.08Å; V57-A59 PolarHBondContact O-N 3.06Å; V57-H60 PolarHBondContact O-N 3.49Å; V57-G61 PolarHBondContact O-N 2.81Å
58	S	98.7	Very high	98.2	Very high	22 Å²	22	49 Å²	49	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-48.8	176	-47.7	0	0	0	0	112.2	N23 N54 A55 H60 G61 A62	N23-S58 WeakPolarHBondContact CB-OG 3.3Å; N23-S58 PolarHBondContact ND2-OG 2.88Å; N54-S58 PolarHBondContact O-N 3.43Å; N54-S58 VanDerWaalsContact O-N 3.13Å; N54-S58 PolarHBondContact O-OG 3.1Å; A55-S58 WeakPolarHBondContact O-CB 3.35Å; A55-S58 PolarHBondContact O-N 3.06Å; S58-H60 VanDerWaalsContact C-N 3.35Å; S58-H60 PolarHBondContact O-N 3.15Å; S58-G61 PolarHBondContact O-N 3.3Å; S58-A62 WeakPolarHBondContact O-CB 3.33Å; S58-A62 PolarHBondContact O-N 3.12Å
59	A	98.8	Very high	98.3	Very high	50 Å²	50	46 Å²	46	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-38	-179.5	0	0	0	0	0	112.8	A55 V57 T63	A55-A59 WeakPolarHBondContact O-CB 3.32Å; A55-A59 PolarHBondContact O-N 3.38Å; V57-A59 PolarHBondContact O-N 3.06Å; A59-T63 PolarHBondContact O-N 2.98Å; A59-T63 PolarHBondContact O-OG1 2.88Å
60	H	98.5	Very high	98.3	Very high	69 Å²	69	47.1 Å²	47.1	32%	0.319	29%	0.287	S	S	.	.	H	α-helix	trans	-71.1	-43.2	176.6	-164.1	65.5	0	0	0	111.7	L26 F40 F43 A56 V57 S58 A62 T63 V64	L26-H60 HydrophobicContact CD1-CB 4.14Å; F40-H60 AromaticContact CD1-CD2 3.83Å; F40-H60 AromaticContact CD1-NE2 3.68Å; F40-H60 AromaticContact CE1-CD2 3.62Å; F40-H60 AromaticContact CE1-NE2 3.36Å; F40-H60 WeakPolarHBondContact CE1-NE2 3.45Å; F43-H60 HydrophobicContact CE2-CB 3.73Å; F43-H60 AromaticContact CE2-CD2 3.88Å; F43-H60 AromaticContact CE2-CG 3.87Å; F43-H60 HydrophobicContact CZ-CB 3.71Å; A56-H60 WeakPolarHBondContact O-CB 3.42Å; A56-H60 PolarHBondContact O-N 2.87Å; V57-H60 PolarHBondContact O-N 3.49Å; S58-H60 VanDerWaalsContact C-N 3.35Å; S58-H60 PolarHBondContact O-N 3.15Å; H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 3.37Å; H60-T63 WeakPolarHBondContact O-CA 3.46Å; H60-T63 WeakPolarHBondContact O-CB 3.32Å; H60-T63 PolarHBondContact O-N 3.49Å; H60-V64 PolarHBondContact O-N 3.07Å; H60-V64 VanDerWaalsContact O-N 3.09Å
61	G	98.6	Very high	98.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-40.1	173.7	0	0	0	0	0	112	V57 S58 T63 V64 L65	V57-G61 PolarHBondContact O-N 2.81Å; S58-G61 PolarHBondContact O-N 3.3Å; G61-T63 VanDerWaalsContact C-N 3.29Å; G61-T63 PolarHBondContact O-N 2.94Å; G61-V64 WeakPolarHBondContact O-CB 3.4Å; G61-V64 PolarHBondContact O-N 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.42Å; G61-L65 PolarHBondContact O-N 2.58Å
62	A	98.8	Very high	98.2	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-37	173.8	0	0	0	0	0	112.5	Y18 S58 H60 K66	Y18-A62 WeakPolarHBondContact O-CA 3.48Å; S58-A62 WeakPolarHBondContact O-CB 3.33Å; S58-A62 PolarHBondContact O-N 3.12Å; H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 3.37Å; A62-K66 VanDerWaalsContact O-CB 3.31Å; A62-K66 WeakPolarHBondContact O-CB 3.33Å; A62-K66 WeakPolarHBondContact O-CG 3.18Å; A62-K66 PolarHBondContact O-N 3.37Å
63	T	98.4	Very high	98.2	Very high	85 Å²	85	45 Å²	45	52%	0.521	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-42.6	175.4	-60.8	0	0	0	0	111.3	A59 H60 G61 K67	A59-T63 PolarHBondContact O-N 2.98Å; A59-T63 PolarHBondContact O-OG1 2.88Å; H60-T63 WeakPolarHBondContact O-CA 3.46Å; H60-T63 WeakPolarHBondContact O-CB 3.32Å; H60-T63 PolarHBondContact O-N 3.49Å; G61-T63 VanDerWaalsContact C-N 3.29Å; G61-T63 PolarHBondContact O-N 2.94Å; T63-K67 WeakPolarHBondContact O-CB 3.49Å; T63-K67 PolarHBondContact O-N 3.19Å; T63-K67 VanDerWaalsContact O-N 3.14Å
64	V	98.1	Very high	98.1	Very high	44 Å²	44	41.7 Å²	41.7	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-51.6	175.7	174.8	0	0	0	0	110.5	H60 G61 K66 K67 L68 I103	H60-V64 PolarHBondContact O-N 3.07Å; H60-V64 VanDerWaalsContact O-N 3.09Å; G61-V64 WeakPolarHBondContact O-CB 3.4Å; G61-V64 PolarHBondContact O-N 3.31Å; V64-K66 PolarHBondContact O-N 3.01Å; V64-K67 PolarHBondContact O-N 3.36Å; V64-L68 PolarHBondContact O-N 3.33Å; V64-I103 HydrophobicContact CG1-CD1 4.08Å
65	L	98.7	Very high	98	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-38	-177.3	-66.3	179.1	0	0	0	112.8	W11 V14 Y18 H21 G22 G61 K67 L68 G69 I107	W11-L65 HydrophobicContact CH2-CD2 4.11Å; W11-L65 HydrophobicContact CZ2-CB 4.46Å; W11-L65 WeakPolarHBondContact CZ2-O 3.12Å; V14-L65 HydrophobicContact CG1-CD1 3.91Å; Y18-L65 HydrophobicContact CD1-CB 3.62Å; Y18-L65 HydrophobicContact CD1-CD1 4.49Å; Y18-L65 HydrophobicContact CE1-CB 4.03Å; H21-L65 HydrophobicContact CB-CD1 3.71Å; G22-L65 VanDerWaalsContact N-CD1 3.3Å; G61-L65 WeakPolarHBondContact O-CG 3.42Å; G61-L65 PolarHBondContact O-N 2.58Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 2.95Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-G69 PolarHBondContact O-N 2.94Å; L65-I107 HydrophobicContact CD2-CD1 4.34Å; L65-I107 HydrophobicContact CD2-CG1 4.39Å
66	K	98.6	Very high	97.6	Very high	110 Å²	110	42.1 Å²	42.1	48%	0.478	24%	0.237	S	C	.	.	H	α-helix	trans	-58.9	-45.8	173.6	-77.3	173.9	-179.7	-176.2	0	111.4	Y18 A62 V64 G69 E70	Y18-K66 HydrophobicContact CD1-CG 4.26Å; Y18-K66 HydrophobicContact CD2-CD 4.29Å; Y18-K66 HydrophobicContact CD2-CG 3.63Å; Y18-K66 HydrophobicContact CE1-CG 4.31Å; Y18-K66 HydrophobicContact CE2-CG 3.68Å; Y18-K66 HydrophobicContact CG-CG 3.92Å; A62-K66 VanDerWaalsContact O-CB 3.31Å; A62-K66 WeakPolarHBondContact O-CB 3.33Å; A62-K66 WeakPolarHBondContact O-CG 3.18Å; A62-K66 PolarHBondContact O-N 3.37Å; V64-K66 PolarHBondContact O-N 3.01Å; K66-G69 PolarHBondContact O-N 3.24Å; K66-E70 WeakPolarHBondContact O-CG 3.48Å; K66-E70 PolarHBondContact O-N 2.97Å
67	K	97.9	Very high	97.4	Very high	72 Å²	72	46.3 Å²	46.3	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-39.3	178.8	-170.5	54.9	57.9	-174.1	0	112.1	T63 V64 L65 E70 L71 I81 L85	T63-K67 WeakPolarHBondContact O-CB 3.49Å; T63-K67 PolarHBondContact O-N 3.19Å; T63-K67 VanDerWaalsContact O-N 3.14Å; V64-K67 PolarHBondContact O-N 3.36Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 2.95Å; K67-E70 WeakPolarHBondContact CE-OE2 3.29Å; K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 IonicContact NZ-OE2 2.76Å; K67-E70 PolarHBondContact NZ-OE2 3.39Å; K67-E70 PolarHBondContact O-N 2.91Å; K67-L71 WeakPolarHBondContact O-CG 3.5Å; K67-L71 PolarHBondContact O-N 3.28Å; K67-L71 VanDerWaalsContact O-N 3.07Å; K67-I81 HydrophobicContact CD-CG2 3.66Å; K67-L85 HydrophobicContact CG-CD1 3.66Å
68	L	97.9	Very high	97.2	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-42.5	172.4	179	56.9	0	0	0	111.7	W11 V64 L65 E70 L71 L72 I107 M129	W11-L68 HydrophobicContact CH2-CB 4.37Å; W11-L68 HydrophobicContact CH2-CD2 3.86Å; W11-L68 HydrophobicContact CH2-CG 4Å; W11-L68 HydrophobicContact CZ3-CD2 4.3Å; V64-L68 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 3.41Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.19Å; L68-L71 WeakPolarHBondContact O-CB 3.27Å; L68-L71 PolarHBondContact O-N 3.09Å; L68-L71 VanDerWaalsContact O-N 3.15Å; L68-L72 HydrophobicContact CD1-CD1 4.31Å; L68-L72 HydrophobicContact CD1-CG 4.09Å; L68-L72 HydrophobicContact CG-CD1 4Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CB 3.49Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.27Å; L68-L72 PolarHBondContact O-N 2.79Å; L68-I107 HydrophobicContact CD2-CD1 3.81Å; L68-I107 HydrophobicContact CD2-CG2 4.26Å; L68-M129 HydrophobicContact CD1-SD 3.68Å
69	G	98	Very high	96.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-41.9	175.4	0	0	0	0	0	112.7	L65 K66 L72 K73	L65-G69 PolarHBondContact O-N 2.94Å; K66-G69 PolarHBondContact O-N 3.24Å; G69-L72 PolarHBondContact O-N 2.97Å; G69-K73 WeakPolarHBondContact O-CB 3.34Å; G69-K73 VanDerWaalsContact O-CG 3.22Å; G69-K73 WeakPolarHBondContact O-CG 3.38Å; G69-K73 PolarHBondContact O-N 2.8Å
70	E	97.8	Very high	96.6	Very high	90 Å²	90	51 Å²	51	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-45.9	172.4	-70.5	171.4	-155.6	0	0	111.9	K66 K67 L68 K73 A74 I81	K66-E70 WeakPolarHBondContact O-CG 3.48Å; K66-E70 PolarHBondContact O-N 2.97Å; K67-E70 WeakPolarHBondContact CE-OE2 3.29Å; K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 IonicContact NZ-OE2 2.76Å; K67-E70 PolarHBondContact NZ-OE2 3.39Å; K67-E70 PolarHBondContact O-N 2.91Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.19Å; E70-K73 PolarHBondContact O-N 2.72Å; E70-A74 WeakPolarHBondContact O-CB 3.45Å; E70-A74 PolarHBondContact O-N 3Å; E70-I81 HydrophobicContact CB-CD1 4.47Å
71	L	96.8	Very high	96.4	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-44.8	176.6	-70.7	170.5	0	0	0	112	K67 L68 K73 A74 K75 H78 I81 L82 V132	K67-L71 WeakPolarHBondContact O-CG 3.5Å; K67-L71 PolarHBondContact O-N 3.28Å; K67-L71 VanDerWaalsContact O-N 3.07Å; L68-L71 WeakPolarHBondContact O-CB 3.27Å; L68-L71 PolarHBondContact O-N 3.09Å; L68-L71 VanDerWaalsContact O-N 3.15Å; L71-K73 PolarHBondContact O-N 2.96Å; L71-A74 WeakPolarHBondContact O-CB 3.5Å; L71-A74 PolarHBondContact O-N 3.06Å; L71-K75 PolarHBondContact O-N 3.38Å; L71-H78 HydrophobicContact CD2-CB 3.59Å; L71-I81 HydrophobicContact CD2-CB 3.78Å; L71-I81 HydrophobicContact CD2-CG2 3.5Å; L71-I81 HydrophobicContact CG-CG2 3.93Å; L71-L82 HydrophobicContact CD1-CD1 4.28Å; L71-L82 HydrophobicContact CD2-CB 4.36Å; L71-L82 HydrophobicContact CD2-CD1 4.27Å; L71-V132 HydrophobicContact CD1-CG1 4.41Å
72	L	97.1	Very high	96.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.9	178.7	-71.9	170.3	0	0	0	111.2	F4 V7 L8 W11 L68 G69 A74 K75 V128	F4-L72 HydrophobicContact CD1-CD2 4.22Å; F4-L72 WeakPolarHBondContact CD1-O 3.28Å; V7-L72 HydrophobicContact CB-CD2 4.27Å; V7-L72 HydrophobicContact CG1-CD1 3.74Å; V7-L72 HydrophobicContact CG1-CD2 3.9Å; V7-L72 HydrophobicContact CG1-CG 4.48Å; L8-L72 HydrophobicContact CD2-CB 3.84Å; L8-L72 HydrophobicContact CG-CB 4.29Å; W11-L72 HydrophobicContact CD2-CD1 3.99Å; W11-L72 HydrophobicContact CE3-CD1 3.64Å; W11-L72 HydrophobicContact CH2-CD1 4.09Å; W11-L72 HydrophobicContact CZ2-CD1 4.4Å; W11-L72 HydrophobicContact CZ3-CD1 3.69Å; L68-L72 HydrophobicContact CD1-CD1 4.31Å; L68-L72 HydrophobicContact CD1-CG 4.09Å; L68-L72 HydrophobicContact CG-CD1 4Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CB 3.49Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.27Å; L68-L72 PolarHBondContact O-N 2.79Å; G69-L72 PolarHBondContact O-N 2.97Å; L72-A74 VanDerWaalsContact C-N 3.26Å; L72-A74 PolarHBondContact O-N 3.17Å; L72-K75 WeakPolarHBondContact O-CG 3.33Å; L72-K75 PolarHBondContact O-N 2.74Å; L72-K75 VanDerWaalsContact O-N 3.09Å; L72-V128 HydrophobicContact CD2-CG1 3.89Å
73	K	97.3	Very high	96.1	Very high	101 Å²	101	55.6 Å²	55.6	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-25.1	178.4	-70.5	171	-175.6	-178.2	0	112.8	L8 E15 G69 E70 L71 K75	L8-K73 HydrophobicContact CD2-CG 3.83Å; E15-K73 IonicContact OE1-NZ 3.27Å; E15-K73 PolarHBondContact OE1-NZ 2.88Å; E15-K73 IonicContact OE2-NZ 2.88Å; E15-K73 PolarHBondContact OE2-NZ 2.95Å; G69-K73 WeakPolarHBondContact O-CB 3.34Å; G69-K73 VanDerWaalsContact O-CG 3.22Å; G69-K73 WeakPolarHBondContact O-CG 3.38Å; G69-K73 PolarHBondContact O-N 2.8Å; E70-K73 PolarHBondContact O-N 2.72Å; L71-K73 PolarHBondContact O-N 2.96Å; K73-K75 PolarHBondContact O-N 3.38Å
74	A	96.5	Very high	96	Very high	28 Å²	28	55.2 Å²	55.2	23%	0.231	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.1	173.2	0	0	0	0	0	113.6	E70 L71 L72 G76 N77 H78 I81	E70-A74 WeakPolarHBondContact O-CB 3.45Å; E70-A74 PolarHBondContact O-N 3Å; L71-A74 WeakPolarHBondContact O-CB 3.5Å; L71-A74 PolarHBondContact O-N 3.06Å; L72-A74 VanDerWaalsContact C-N 3.26Å; L72-A74 PolarHBondContact O-N 3.17Å; A74-G76 PolarHBondContact O-N 2.98Å; A74-G76 VanDerWaalsContact O-N 3.12Å; A74-N77 WeakPolarHBondContact O-CB 3.4Å; A74-N77 PolarHBondContact O-N 3.35Å; A74-H78 HydrophobicContact CB-CB 4.35Å; A74-I81 HydrophobicContact CB-CD1 3.83Å
75	K	95.4	Very high	95.9	Very high	88 Å²	88	54.6 Å²	54.6	38%	0.383	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.6	172.7	-58.1	-170.8	-176.2	-170.2	0	114.7	F4 D5 L8 L71 L72 K73	F4-K75 HydrophobicContact CB-CB 4.46Å; F4-K75 HydrophobicContact CB-CG 4.14Å; F4-K75 HydrophobicContact CG-CB 4.34Å; F4-K75 HydrophobicContact CG-CG 4.47Å; D5-K75 VanDerWaalsContact OD1-CE 3.27Å; D5-K75 WeakPolarHBondContact OD1-CE 3.42Å; D5-K75 IonicContact OD1-NZ 2.62Å; D5-K75 PolarHBondContact OD1-NZ 2.88Å; L8-K75 HydrophobicContact CD1-CG 4.42Å; L71-K75 PolarHBondContact O-N 3.38Å; L72-K75 WeakPolarHBondContact O-CG 3.33Å; L72-K75 PolarHBondContact O-N 2.74Å; L72-K75 VanDerWaalsContact O-N 3.09Å; K73-K75 PolarHBondContact O-N 3.38Å
76	G	91.4	Very high	95.8	Very high	40 Å²	40	54.5 Å²	54.5	41%	0.412	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-13.4	-179.6	0	0	0	0	0	114.9	A74 H78	A74-G76 PolarHBondContact O-N 2.98Å; A74-G76 VanDerWaalsContact O-N 3.12Å; G76-H78 PolarHBondContact O-N 3.08Å
77	N	93.4	Very high	95.7	Very high	141 Å²	141	51.4 Å²	51.4	75%	0.754	30%	0.295	S	S	*	.			trans	-81.9	57.3	168.1	-172.6	16.1	0	0	0	111	A74	A74-N77 WeakPolarHBondContact O-CB 3.4Å; A74-N77 PolarHBondContact O-N 3.35Å
78	H	93.7	Very high	95.7	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.028	30%	0.296	C	S	.	.			trans	-110.2	2.4	-165.2	57.9	-162.9	0	0	0	115.4	L71 A74 G76 A80 I81 L82 D135	L71-H78 HydrophobicContact CD2-CB 3.59Å; A74-H78 HydrophobicContact CB-CB 4.35Å; G76-H78 PolarHBondContact O-N 3.08Å; H78-A80 VanDerWaalsContact C-N 3.31Å; H78-A80 PolarHBondContact O-N 3.39Å; H78-I81 PolarHBondContact O-N 3.36Å; H78-L82 VanDerWaalsContact O-CB 3.3Å; H78-L82 WeakPolarHBondContact O-CB 3.35Å; H78-L82 PolarHBondContact O-N 3.42Å; H78-D135 IonicContact CD2-OD2 3.74Å; H78-D135 IonicContact CE1-OD2 2.66Å; H78-D135 IonicContact NE2-OD2 3.76Å; H78-D135 PolarHBondContact NE2-OD2 3.36Å
79	A	92.6	Very high	95.7	Very high	70 Å²	70	52.3 Å²	52.3	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-55.2	-43	-173.1	0	0	0	0	0	113.2	I81 L82 K83	A79-I81 VanDerWaalsContact C-N 3.3Å; A79-I81 PolarHBondContact O-N 3.04Å; A79-L82 PolarHBondContact O-N 2.99Å; A79-K83 WeakPolarHBondContact O-CB 3.44Å; A79-K83 PolarHBondContact O-N 3.48Å
80	A	93.8	Very high	95.7	Very high	93 Å²	93	52.3 Å²	52.3	77%	0.769	30%	0.304	S	S	*	.	H	α-helix	trans	-67.8	-28.3	178.8	0	0	0	0	0	113.4	H78 P84	H78-A80 VanDerWaalsContact C-N 3.31Å; H78-A80 PolarHBondContact O-N 3.39Å; A80-P84 VanDerWaalsContact O-CD 3.26Å; A80-P84 WeakPolarHBondContact O-CD 3.37Å
81	I	94.4	Very high	95.6	Very high	44 Å²	44	51.4 Å²	51.4	23%	0.226	30%	0.304	C	S	.	.	H	α-helix	trans	-81.6	-40.9	177.1	-55.9	169.5	0	0	0	109.7	K67 E70 L71 A74 H78 A79	K67-I81 HydrophobicContact CD-CG2 3.66Å; E70-I81 HydrophobicContact CB-CD1 4.47Å; L71-I81 HydrophobicContact CD2-CB 3.78Å; L71-I81 HydrophobicContact CD2-CG2 3.5Å; L71-I81 HydrophobicContact CG-CG2 3.93Å; A74-I81 HydrophobicContact CB-CD1 3.83Å; H78-I81 PolarHBondContact O-N 3.36Å; A79-I81 VanDerWaalsContact C-N 3.3Å; A79-I81 PolarHBondContact O-N 3.04Å
82	L	94.6	Very high	95.6	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-79.6	-37.5	-169.7	-165.8	63.4	0	0	0	112.8	L71 H78 A79 L85 A86 V132 D135 I136	L71-L82 HydrophobicContact CD1-CD1 4.28Å; L71-L82 HydrophobicContact CD2-CB 4.36Å; L71-L82 HydrophobicContact CD2-CD1 4.27Å; H78-L82 VanDerWaalsContact O-CB 3.3Å; H78-L82 WeakPolarHBondContact O-CB 3.35Å; H78-L82 PolarHBondContact O-N 3.42Å; A79-L82 PolarHBondContact O-N 2.99Å; L82-L85 HydrophobicContact CD1-CD2 4.33Å; L82-L85 WeakPolarHBondContact O-CA 3.27Å; L82-L85 WeakPolarHBondContact O-CB 3.19Å; L82-L85 PolarHBondContact O-N 3.21Å; L82-A86 PolarHBondContact O-N 3.31Å; L82-V132 HydrophobicContact CD1-CG1 3.76Å; L82-V132 HydrophobicContact CD2-CG1 4.38Å; L82-D135 HydrophobicContact CD2-CB 3.37Å; L82-I136 HydrophobicContact CD1-CD1 4Å; L82-I136 HydrophobicContact CD1-CG1 3.69Å; L82-I136 HydrophobicContact CD2-CG1 4.24Å; L82-I136 HydrophobicContact CG-CG1 4.05Å
83	K	94.8	Very high	95.6	Very high	123 Å²	123	62.3 Å²	62.3	54%	0.535	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-45.6	-176.6	-174.6	164.5	-172.8	158.2	0	113.4	A79 L85 T87	A79-K83 WeakPolarHBondContact O-CB 3.44Å; A79-K83 PolarHBondContact O-N 3.48Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 2.95Å; K83-T87 WeakPolarHBondContact O-CB 3.31Å; K83-T87 PolarHBondContact O-N 2.65Å; K83-T87 PolarHBondContact O-OG1 2.85Å
84	P	96.2	Very high	95.5	Very high	77 Å²	77	63 Å²	63	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-37.6	173	-22.7	34.1	0	0	0	113.2	A80 T88	A80-P84 VanDerWaalsContact O-CD 3.26Å; A80-P84 WeakPolarHBondContact O-CD 3.37Å; P84-T88 WeakPolarHBondContact O-CG2 3.36Å; P84-T88 PolarHBondContact O-N 2.92Å; P84-T88 PolarHBondContact O-OG1 3.2Å
85	L	96.5	Very high	95.5	Very high	31 Å²	31	62.3 Å²	62.3	16%	0.162	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-54.3	177	-177.3	150.5	0	0	0	110.6	K67 L82 K83 T87 T88 H89 F100 I136	K67-L85 HydrophobicContact CG-CD1 3.66Å; L82-L85 HydrophobicContact CD1-CD2 4.33Å; L82-L85 WeakPolarHBondContact O-CA 3.27Å; L82-L85 WeakPolarHBondContact O-CB 3.19Å; L82-L85 PolarHBondContact O-N 3.21Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 2.95Å; L85-T87 VanDerWaalsContact C-N 3.32Å; L85-T87 PolarHBondContact O-N 3.44Å; L85-T88 PolarHBondContact O-N 3.12Å; L85-T88 PolarHBondContact O-OG1 3.47Å; L85-H89 WeakPolarHBondContact O-CB 3.47Å; L85-H89 PolarHBondContact O-N 3.32Å; L85-H89 PolarHBondContact O-ND1 2.79Å; L85-F100 HydrophobicContact CD2-CE1 4.29Å; L85-I136 HydrophobicContact CD2-CD1 3.93Å; L85-I136 HydrophobicContact CD2-CG1 4.4Å
86	A	97	Very high	95.6	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-44	179.2	0	0	0	0	0	111.4	L82 T88 H89 A90 I136 T139 Y140	L82-A86 PolarHBondContact O-N 3.31Å; A86-T88 PolarHBondContact O-N 2.67Å; A86-H89 PolarHBondContact O-N 2.88Å; A86-A90 WeakPolarHBondContact O-CB 3.47Å; A86-A90 PolarHBondContact O-N 2.95Å; A86-I136 HydrophobicContact CB-CB 4.31Å; A86-I136 HydrophobicContact CB-CG1 4.21Å; A86-I136 HydrophobicContact CB-CG2 3.98Å; A86-T139 HydrophobicContact CB-CG2 3.68Å; A86-Y140 HydrophobicContact CB-CD1 4.48Å; A86-Y140 HydrophobicContact CB-CE1 4.44Å; A86-Y140 VanDerWaalsContact O-CE1 3.29Å; A86-Y140 WeakPolarHBondContact O-CE1 3.46Å
87	T	97.4	Very high	95.8	Very high	46 Å²	46	59.1 Å²	59.1	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-58.3	-48.3	178.4	-57.6	0	0	0	0	111.7	K83 L85 T91 L143	K83-T87 WeakPolarHBondContact O-CB 3.31Å; K83-T87 PolarHBondContact O-N 2.65Å; K83-T87 PolarHBondContact O-OG1 2.85Å; L85-T87 VanDerWaalsContact C-N 3.32Å; L85-T87 PolarHBondContact O-N 3.44Å; T87-T91 HydrophobicContact CG2-CG2 4.35Å; T87-T91 WeakPolarHBondContact O-CB 3.42Å; T87-T91 WeakPolarHBondContact O-CG2 3.5Å; T87-T91 PolarHBondContact O-N 3.4Å; T87-T91 PolarHBondContact O-OG1 3.47Å; T87-L143 HydrophobicContact CG2-CD1 4.25Å
88	T	97.4	Very high	96	Very high	55 Å²	55	56.4 Å²	56.4	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-68.2	-36.7	180	53.2	0	0	0	0	112.2	P84 L85 A86 K92 H93	P84-T88 WeakPolarHBondContact O-CG2 3.36Å; P84-T88 PolarHBondContact O-N 2.92Å; P84-T88 PolarHBondContact O-OG1 3.2Å; L85-T88 PolarHBondContact O-N 3.12Å; L85-T88 PolarHBondContact O-OG1 3.47Å; A86-T88 PolarHBondContact O-N 2.67Å; T88-K92 WeakPolarHBondContact O-CA 3.5Å; T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 PolarHBondContact O-N 3.28Å; T88-H93 PolarHBondContact O-CD2 2.95Å; T88-H93 VanDerWaalsContact O-CD2 3.28Å; T88-H93 PolarHBondContact O-N 2.96Å
89	H	97.5	Very high	96.2	Very high	49 Å²	49	57.2 Å²	57.2	23%	0.227	32%	0.317	C	S	.	.	H	α-helix	trans	-70.7	-33.4	179.8	-71.6	63.6	0	0	0	112.7	L85 A86 K94 I95 F100 Y140	L85-H89 WeakPolarHBondContact O-CB 3.47Å; L85-H89 PolarHBondContact O-N 3.32Å; L85-H89 PolarHBondContact O-ND1 2.79Å; A86-H89 PolarHBondContact O-N 2.88Å; H89-K94 WeakPolarHBondContact O-CA 3.39Å; H89-K94 PolarHBondContact O-N 3.12Å; H89-I95 HydrophobicContact CB-CB 4.38Å; H89-I95 HydrophobicContact CB-CG1 4.4Å; H89-I95 PolarHBondContact O-N 3.15Å; H89-F100 HydrophobicContact CB-CZ 3.91Å; H89-F100 AromaticContact CD2-CE1 3.81Å; H89-F100 AromaticContact CD2-CZ 3.54Å; H89-F100 AromaticContact CG-CZ 3.89Å; H89-Y140 VanDerWaalsContact C-OH 3.24Å; H89-Y140 HydrophobicContact CB-CE1 4.29Å; H89-Y140 WeakPolarHBondContact CB-OH 3.27Å; H89-Y140 PolarHBondContact O-OH 3.34Å
90	A	97.4	Very high	96.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-76.5	-48.6	172.4	0	0	0	0	0	113.5	A86 K94 Y140 L143 F145	A86-A90 WeakPolarHBondContact O-CB 3.47Å; A86-A90 PolarHBondContact O-N 2.95Å; A90-K94 WeakPolarHBondContact O-CD 3.25Å; A90-K94 PolarHBondContact O-NZ 2.83Å; A90-Y140 HydrophobicContact CB-CD1 3.62Å; A90-Y140 HydrophobicContact CB-CE1 3.56Å; A90-Y140 HydrophobicContact CB-CG 4.2Å; A90-Y140 PolarHBondContact N-OH 2.98Å; A90-L143 HydrophobicContact CB-CD1 4.07Å; A90-F145 HydrophobicContact CB-CB 3.96Å; A90-F145 HydrophobicContact CB-CD1 4.09Å; A90-F145 HydrophobicContact CB-CG 4.07Å
91	T	96.9	Very high	96.7	Very high	70 Å²	70	56 Å²	56	43%	0.429	28%	0.281	S	S	.	.	H	α-helix	trans	-88.2	-33.8	-166	61	0	0	0	0	113.1	T87 K94 L143	T87-T91 HydrophobicContact CG2-CG2 4.35Å; T87-T91 WeakPolarHBondContact O-CB 3.42Å; T87-T91 WeakPolarHBondContact O-CG2 3.5Å; T87-T91 PolarHBondContact O-N 3.4Å; T87-T91 PolarHBondContact O-OG1 3.47Å; T91-K94 WeakPolarHBondContact O-CE 3.22Å; T91-K94 PolarHBondContact O-NZ 3.21Å; T91-K94 VanDerWaalsContact O-NZ 3.09Å; T91-L143 HydrophobicContact CG2-CD1 4.14Å
92	K	96.3	Very high	96.9	Very high	156 Å²	156	55 Å²	55	68%	0.678	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-52.9	-174	-178.5	179.4	-178.8	176.5	0	112.3	T88	T88-K92 WeakPolarHBondContact O-CA 3.5Å; T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 PolarHBondContact O-N 3.28Å
93	H	96.1	Very high	97.1	Very high	85 Å²	85	55.9 Å²	55.9	39%	0.394	28%	0.281	S	S	.	.	S	Bend	trans	-85.7	-17.2	-173.5	-55.8	-60.5	0	0	0	113	T88 I95	T88-H93 PolarHBondContact O-CD2 2.95Å; T88-H93 VanDerWaalsContact O-CD2 3.28Å; T88-H93 PolarHBondContact O-N 2.96Å; H93-I95 VanDerWaalsContact C-N 3.3Å; H93-I95 HydrophobicContact CB-CD1 3.95Å; H93-I95 HydrophobicContact CB-CG1 3.6Å; H93-I95 WeakPolarHBondContact O-CD1 3.1Å; H93-I95 PolarHBondContact O-N 3.39Å
94	K	96	Very high	97.3	Very high	114 Å²	114	50.3 Å²	50.3	50%	0.496	26%	0.257	S	S	.	.			trans	53.9	46	177.9	-56.5	-70.7	166.6	-158.8	0	111.8	H89 A90 T91 P96 F145	H89-K94 WeakPolarHBondContact O-CA 3.39Å; H89-K94 PolarHBondContact O-N 3.12Å; A90-K94 WeakPolarHBondContact O-CD 3.25Å; A90-K94 PolarHBondContact O-NZ 2.83Å; T91-K94 WeakPolarHBondContact O-CE 3.22Å; T91-K94 PolarHBondContact O-NZ 3.21Å; T91-K94 VanDerWaalsContact O-NZ 3.09Å; K94-P96 VanDerWaalsContact O-CD 3.27Å; K94-P96 WeakPolarHBondContact O-CD 3.44Å; K94-F145 HydrophobicContact CB-CE2 4.5Å; K94-F145 HydrophobicContact CD-CD2 4.47Å; K94-F145 HydrophobicContact CD-CE2 4.05Å
95	I	97.7	Very high	97.4	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.077	25%	0.25	C	S	.	.			trans	-88.3	116.3	-174.8	-55.1	-58.7	0	0	0	110.1	L39 H89 H93 N99 F100 Y140	L39-I95 HydrophobicContact CB-CD1 3.78Å; L39-I95 HydrophobicContact CD1-CD1 4.08Å; L39-I95 HydrophobicContact CG-CD1 4.39Å; H89-I95 HydrophobicContact CB-CB 4.38Å; H89-I95 HydrophobicContact CB-CG1 4.4Å; H89-I95 PolarHBondContact O-N 3.15Å; H93-I95 VanDerWaalsContact C-N 3.3Å; H93-I95 HydrophobicContact CB-CD1 3.95Å; H93-I95 HydrophobicContact CB-CG1 3.6Å; H93-I95 WeakPolarHBondContact O-CD1 3.1Å; H93-I95 PolarHBondContact O-N 3.39Å; I95-N99 HydrophobicContact CG2-CB 3.84Å; I95-F100 HydrophobicContact CG2-CE2 4.08Å; I95-F100 HydrophobicContact CG2-CZ 4.28Å; I95-Y140 WeakPolarHBondContact O-CE2 3.45Å; I95-Y140 PolarHBondContact O-OH 3.09Å
96	P	96.9	Very high	97.5	Very high	40 Å²	40	48.7 Å²	48.7	26%	0.26	24%	0.242	S	C	.	.			trans	-61.3	143.5	172.6	-21.7	31.1	0	0	0	112.6	K94 N98 N99 G147	K94-P96 VanDerWaalsContact O-CD 3.27Å; K94-P96 WeakPolarHBondContact O-CD 3.44Å; P96-N98 PolarHBondContact O-N 3.15Å; P96-N98 VanDerWaalsContact O-N 3.12Å; P96-N99 WeakPolarHBondContact CB-ND2 3.47Å; P96-N99 VanDerWaalsContact CD-ND2 3.26Å; P96-N99 WeakPolarHBondContact CD-ND2 3.19Å; P96-N99 WeakPolarHBondContact O-CB 3.45Å; P96-N99 PolarHBondContact O-N 3.27Å; P96-N99 PolarHBondContact O-ND2 2.9Å; P96-G147 WeakPolarHBondContact CA-OXT 3.11Å; P96-G147 WeakPolarHBondContact CB-OXT 3.49Å
97	I	96.3	Very high	97.6	Very high	20 Å²	20	49 Å²	49	10%	0.103	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.5	-176.9	-78	-67.4	0	0	0	112.5	N99 F100 I133 I136 D137 Y140 G147	I97-N99 PolarHBondContact O-N 3.19Å; I97-N99 VanDerWaalsContact O-N 3.14Å; I97-F100 HydrophobicContact CD1-CD2 4.36Å; I97-F100 HydrophobicContact CD1-CE2 4.49Å; I97-F100 PolarHBondContact O-N 3.49Å; I97-F100 VanDerWaalsContact O-N 3.09Å; I97-I133 HydrophobicContact CG2-CG2 3.71Å; I97-I136 HydrophobicContact CD1-CB 4.26Å; I97-I136 HydrophobicContact CD1-CG2 3.71Å; I97-D137 HydrophobicContact CD1-CB 3.83Å; I97-D137 HydrophobicContact CG1-CB 4.18Å; I97-Y140 HydrophobicContact CD1-CD2 3.6Å; I97-Y140 HydrophobicContact CD1-CE2 3.71Å; I97-Y140 HydrophobicContact CD1-CG 4.25Å; I97-Y140 HydrophobicContact CG1-CD2 3.61Å; I97-Y140 HydrophobicContact CG1-CE2 3.82Å; I97-G147 WeakPolarHBondContact CB-O 3.45Å; I97-G147 VanDerWaalsContact CG1-O 3.25Å; I97-G147 WeakPolarHBondContact CG1-O 3.48Å; I97-G147 PolarHBondContact N-O 3.46Å; I97-G147 PolarHBondContact N-OXT 2.92Å
98	N	97.3	Very high	97.7	Very high	84 Å²	84	46.9 Å²	46.9	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-57.5	-31.4	-179.4	-170	59.7	0	0	0	113	P96 F100 K101 L102	P96-N98 PolarHBondContact O-N 3.15Å; P96-N98 VanDerWaalsContact O-N 3.12Å; N98-F100 PolarHBondContact O-N 3.21Å; N98-K101 WeakPolarHBondContact O-CA 3.31Å; N98-K101 WeakPolarHBondContact O-CB 3.49Å; N98-K101 PolarHBondContact O-N 3.27Å; N98-L102 PolarHBondContact O-N 2.82Å; N98-L102 VanDerWaalsContact O-N 3.11Å
99	N	98.3	Very high	97.8	Very high	23 Å²	23	46.9 Å²	46.9	12%	0.123	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-27.7	-179.1	-63.5	-85.3	0	0	0	112.7	T36 L39 I95 P96 I97 K101 L102 I103	T36-N99 WeakPolarHBondContact CG2-OD1 3.36Å; L39-N99 HydrophobicContact CD1-CB 4.5Å; L39-N99 WeakPolarHBondContact CD1-OD1 3.42Å; I95-N99 HydrophobicContact CG2-CB 3.84Å; P96-N99 WeakPolarHBondContact CB-ND2 3.47Å; P96-N99 VanDerWaalsContact CD-ND2 3.26Å; P96-N99 WeakPolarHBondContact CD-ND2 3.19Å; P96-N99 WeakPolarHBondContact O-CB 3.45Å; P96-N99 PolarHBondContact O-N 3.27Å; P96-N99 PolarHBondContact O-ND2 2.9Å; I97-N99 PolarHBondContact O-N 3.19Å; I97-N99 VanDerWaalsContact O-N 3.14Å; N99-K101 VanDerWaalsContact C-N 3.3Å; N99-L102 PolarHBondContact O-N 3.07Å; N99-I103 WeakPolarHBondContact O-CG2 3.49Å; N99-I103 PolarHBondContact O-N 3.23Å
100	F	98.3	Very high	97.8	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.096	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-30.5	172.9	-63.7	-78.5	0	0	0	112	L85 H89 I95 I97 N98 I103 T104 I133 I136	L85-F100 HydrophobicContact CD2-CE1 4.29Å; H89-F100 HydrophobicContact CB-CZ 3.91Å; H89-F100 AromaticContact CD2-CE1 3.81Å; H89-F100 AromaticContact CD2-CZ 3.54Å; H89-F100 AromaticContact CG-CZ 3.89Å; I95-F100 HydrophobicContact CG2-CE2 4.08Å; I95-F100 HydrophobicContact CG2-CZ 4.28Å; I97-F100 HydrophobicContact CD1-CD2 4.36Å; I97-F100 HydrophobicContact CD1-CE2 4.49Å; I97-F100 PolarHBondContact O-N 3.49Å; I97-F100 VanDerWaalsContact O-N 3.09Å; N98-F100 PolarHBondContact O-N 3.21Å; F100-I103 WeakPolarHBondContact O-CG2 3.38Å; F100-T104 WeakPolarHBondContact O-CB 3.47Å; F100-T104 PolarHBondContact O-N 3.06Å; F100-T104 VanDerWaalsContact O-N 3.12Å; F100-T104 PolarHBondContact O-OG1 3.1Å; F100-I133 HydrophobicContact CB-CD1 3.78Å; F100-I133 HydrophobicContact CB-CG1 3.69Å; F100-I136 HydrophobicContact CD1-CD1 4.18Å; F100-I136 HydrophobicContact CE1-CD1 4.05Å; F100-I136 HydrophobicContact CE2-CD1 4.46Å; F100-I136 HydrophobicContact CE2-CG2 4.06Å; F100-I136 HydrophobicContact CG-CD1 4.43Å; F100-I136 HydrophobicContact CZ-CD1 4.19Å; F100-I136 HydrophobicContact CZ-CG2 4.35Å
101	K	98.3	Very high	97.9	Very high	115 Å²	115	45 Å²	45	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-69.6	-45.6	172.8	-58.6	179.5	-179	177.4	0	110.5	N98 N99 I103 T104 E105 I133	N98-K101 WeakPolarHBondContact O-CA 3.31Å; N98-K101 WeakPolarHBondContact O-CB 3.49Å; N98-K101 PolarHBondContact O-N 3.27Å; N99-K101 VanDerWaalsContact C-N 3.3Å; K101-I103 PolarHBondContact O-N 3.14Å; K101-T104 WeakPolarHBondContact O-CB 3.4Å; K101-T104 PolarHBondContact O-N 3.44Å; K101-T104 VanDerWaalsContact O-N 3.15Å; K101-E105 PolarHBondContact O-N 2.95Å; K101-E105 VanDerWaalsContact O-N 3.11Å; K101-I133 HydrophobicContact CG-CD1 3.89Å
102	L	98.7	Very high	97.9	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-50.6	178.2	-58.9	-178.3	0	0	0	111.8	L29 H33 T36 N98 N99 T104 E105 V106	L29-L102 HydrophobicContact CD1-CB 4.01Å; H33-L102 HydrophobicContact CB-CD1 4.12Å; T36-L102 HydrophobicContact CG2-CD1 3.9Å; N98-L102 PolarHBondContact O-N 2.82Å; N98-L102 VanDerWaalsContact O-N 3.11Å; N99-L102 PolarHBondContact O-N 3.07Å; L102-T104 VanDerWaalsContact C-N 3.26Å; L102-T104 PolarHBondContact O-N 3.47Å; L102-E105 PolarHBondContact O-N 2.73Å; L102-V106 PolarHBondContact O-N 3.46Å
103	I	98.6	Very high	98	Very high	22 Å²	22	40.4 Å²	40.4	11%	0.113	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-28.8	178.9	-161.5	171.5	0	0	0	112.3	V25 L26 L29 V64 N99 F100 K101 V106 I107	V25-I103 HydrophobicContact CG1-CD1 4.24Å; V25-I103 HydrophobicContact CG1-CG1 3.95Å; L26-I103 HydrophobicContact CD2-CD1 4.25Å; L29-I103 HydrophobicContact CD1-CB 4.38Å; L29-I103 HydrophobicContact CD2-CB 4.15Å; L29-I103 HydrophobicContact CD2-CD1 4.02Å; L29-I103 HydrophobicContact CD2-CG1 4.03Å; V64-I103 HydrophobicContact CG1-CD1 4.08Å; N99-I103 WeakPolarHBondContact O-CG2 3.49Å; N99-I103 PolarHBondContact O-N 3.23Å; F100-I103 WeakPolarHBondContact O-CG2 3.38Å; K101-I103 PolarHBondContact O-N 3.14Å; I103-V106 PolarHBondContact O-N 3.14Å; I103-I107 HydrophobicContact CG1-CD1 4.06Å; I103-I107 HydrophobicContact CG1-CG1 4.37Å; I103-I107 WeakPolarHBondContact O-CB 3.28Å; I103-I107 WeakPolarHBondContact O-CD1 3.39Å; I103-I107 WeakPolarHBondContact O-CG1 3.35Å; I103-I107 PolarHBondContact O-N 3.07Å
104	T	98.8	Very high	98.1	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-46.5	174	-65.1	0	0	0	0	111.3	F100 K101 L102 V106 I107 A108 L125 M129	F100-T104 WeakPolarHBondContact O-CB 3.47Å; F100-T104 PolarHBondContact O-N 3.06Å; F100-T104 VanDerWaalsContact O-N 3.12Å; F100-T104 PolarHBondContact O-OG1 3.1Å; K101-T104 WeakPolarHBondContact O-CB 3.4Å; K101-T104 PolarHBondContact O-N 3.44Å; K101-T104 VanDerWaalsContact O-N 3.15Å; L102-T104 VanDerWaalsContact C-N 3.26Å; L102-T104 PolarHBondContact O-N 3.47Å; T104-V106 PolarHBondContact O-N 2.88Å; T104-I107 PolarHBondContact O-N 2.94Å; T104-A108 PolarHBondContact O-N 3.47Å; T104-L125 HydrophobicContact CG2-CG 4.5Å; T104-M129 HydrophobicContact CG2-CB 3.62Å; T104-M129 HydrophobicContact CG2-CG 3.66Å; T104-M129 WeakPolarHBondContact OG1-CB 3.26Å; T104-M129 WeakPolarHBondContact OG1-CG 3.35Å
105	E	98.8	Very high	98.1	Very high	75 Å²	75	38.6 Å²	38.6	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-44	178.1	-66.5	-54.7	134.8	0	0	111.4	K101 L102 I107 A108 E109 R126	K101-E105 PolarHBondContact O-N 2.95Å; K101-E105 VanDerWaalsContact O-N 3.11Å; L102-E105 PolarHBondContact O-N 2.73Å; E105-I107 PolarHBondContact O-N 2.88Å; E105-A108 WeakPolarHBondContact O-CB 3.37Å; E105-A108 PolarHBondContact O-N 3.18Å; E105-E109 PolarHBondContact O-N 3.47Å; E105-R126 VanDerWaalsContact CD-NE 3.33Å; E105-R126 WeakPolarHBondContact OE1-CD 3.39Å; E105-R126 IonicContact OE1-CZ 3.61Å; E105-R126 IonicContact OE1-NE 2.8Å; E105-R126 PolarHBondContact OE1-NE 2.84Å; E105-R126 IonicContact OE2-CZ 2.74Å; E105-R126 VanDerWaalsContact OE2-CZ 3.27Å; E105-R126 IonicContact OE2-NE 2.74Å; E105-R126 PolarHBondContact OE2-NE 3.04Å; E105-R126 IonicContact OE2-NH2 3.78Å; E105-R126 PolarHBondContact OE2-NH2 3.3Å
106	V	98.8	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-43.6	176.5	173.8	0	0	0	0	111.7	V25 R28 L29 L102 I103 T104 A108 E109 I110	V25-V106 HydrophobicContact CB-CG1 4.49Å; V25-V106 HydrophobicContact CG1-CG1 4.19Å; V25-V106 WeakPolarHBondContact O-CG1 3.35Å; R28-V106 HydrophobicContact CB-CG1 3.85Å; R28-V106 HydrophobicContact CG-CG1 3.95Å; L29-V106 HydrophobicContact CB-CG1 4.49Å; L29-V106 HydrophobicContact CB-CG2 4.31Å; L29-V106 HydrophobicContact CD1-CG2 4.24Å; L102-V106 PolarHBondContact O-N 3.46Å; I103-V106 PolarHBondContact O-N 3.14Å; T104-V106 PolarHBondContact O-N 2.88Å; V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 3.35Å; V106-E109 PolarHBondContact O-N 3.33Å; V106-I110 HydrophobicContact CG1-CG1 4.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.25Å; V106-I110 PolarHBondContact O-N 3.28Å
107	I	98.8	Very high	98.1	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-42.6	176.8	-69.3	165.5	0	0	0	110.5	V25 L65 L68 I103 T104 E105 E109 I110 M111 L125	V25-I107 HydrophobicContact CG1-CD1 4.44Å; V25-I107 HydrophobicContact CG1-CG1 3.74Å; V25-I107 HydrophobicContact CG2-CG1 3.96Å; L65-I107 HydrophobicContact CD2-CD1 4.34Å; L65-I107 HydrophobicContact CD2-CG1 4.39Å; L68-I107 HydrophobicContact CD2-CD1 3.81Å; L68-I107 HydrophobicContact CD2-CG2 4.26Å; I103-I107 HydrophobicContact CG1-CD1 4.06Å; I103-I107 HydrophobicContact CG1-CG1 4.37Å; I103-I107 WeakPolarHBondContact O-CB 3.28Å; I103-I107 WeakPolarHBondContact O-CD1 3.39Å; I103-I107 WeakPolarHBondContact O-CG1 3.35Å; I103-I107 PolarHBondContact O-N 3.07Å; T104-I107 PolarHBondContact O-N 2.94Å; E105-I107 PolarHBondContact O-N 2.88Å; I107-E109 VanDerWaalsContact C-N 3.33Å; I107-E109 PolarHBondContact O-N 2.83Å; I107-I110 PolarHBondContact O-N 2.94Å; I107-M111 HydrophobicContact CG2-CG 4.16Å; I107-M111 HydrophobicContact CG2-SD 4Å; I107-M111 WeakPolarHBondContact O-CB 3.46Å; I107-M111 VanDerWaalsContact O-CG 3.31Å; I107-M111 WeakPolarHBondContact O-CG 3.47Å; I107-M111 PolarHBondContact O-N 3.37Å; I107-L125 HydrophobicContact CB-CD2 4.36Å; I107-L125 HydrophobicContact CG2-CD2 3.79Å
108	A	98.7	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-44	178.3	0	0	0	0	0	111.8	T104 E105 V106 G112 K122 L125	T104-A108 PolarHBondContact O-N 3.47Å; E105-A108 WeakPolarHBondContact O-CB 3.37Å; E105-A108 PolarHBondContact O-N 3.18Å; V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 3.35Å; A108-G112 PolarHBondContact O-N 2.88Å; A108-K122 HydrophobicContact CB-CB 4.3Å; A108-K122 HydrophobicContact CB-CG 4.14Å; A108-K122 WeakPolarHBondContact O-CE 3.4Å; A108-L125 HydrophobicContact CB-CD2 3.9Å
109	E	98.7	Very high	98.2	Very high	55 Å²	55	41.7 Å²	41.7	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-67.6	-46.5	177.7	-67.5	-52.2	124.6	0	0	112.4	E105 V106 I107 M111 G112 E113 K122	E105-E109 PolarHBondContact O-N 3.47Å; V106-E109 PolarHBondContact O-N 3.33Å; I107-E109 VanDerWaalsContact C-N 3.33Å; I107-E109 PolarHBondContact O-N 2.83Å; E109-M111 VanDerWaalsContact C-N 3.33Å; E109-M111 PolarHBondContact O-N 3.32Å; E109-G112 PolarHBondContact O-N 3.41Å; E109-G112 VanDerWaalsContact O-N 3.08Å; E109-E113 WeakPolarHBondContact O-CG 3.43Å; E109-E113 PolarHBondContact O-N 3.11Å; E109-K122 IonicContact OE1-NZ 3.44Å; E109-K122 PolarHBondContact OE1-NZ 3.3Å; E109-K122 IonicContact OE2-NZ 2.68Å; E109-K122 PolarHBondContact OE2-NZ 3.12Å
110	I	98.6	Very high	98.2	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-40.8	177	-66	-57.3	0	0	0	111.5	L24 V25 V106 I107 G112 E113 R114	L24-I110 HydrophobicContact CB-CD1 4.04Å; L24-I110 HydrophobicContact CB-CG1 4.46Å; L24-I110 HydrophobicContact CB-CG2 4.28Å; V25-I110 HydrophobicContact CG2-CB 4.12Å; V25-I110 HydrophobicContact CG2-CG1 4.04Å; V25-I110 HydrophobicContact CG2-CG2 4.13Å; V106-I110 HydrophobicContact CG1-CG1 4.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.25Å; V106-I110 PolarHBondContact O-N 3.28Å; I107-I110 PolarHBondContact O-N 2.94Å; I110-G112 VanDerWaalsContact C-N 3.31Å; I110-G112 PolarHBondContact O-N 3.43Å; I110-E113 PolarHBondContact O-N 3.25Å; I110-R114 HydrophobicContact CG2-CG 4.16Å; I110-R114 VanDerWaalsContact O-CB 3.27Å; I110-R114 WeakPolarHBondContact O-CB 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.41Å; I110-R114 PolarHBondContact O-N 2.98Å
111	M	98.4	Very high	98.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-34.6	174.8	-74.7	-171.1	72.1	0	0	112.3	V7 H10 W11 V14 I107 E109 A115 G116 L117 L125	V7-M111 HydrophobicContact CG1-CE 4.12Å; V7-M111 HydrophobicContact CG1-SD 4.45Å; H10-M111 HydrophobicContact CB-CE 4.15Å; W11-M111 HydrophobicContact CE3-CE 3.66Å; W11-M111 HydrophobicContact CE3-SD 3.9Å; W11-M111 HydrophobicContact CZ3-CE 4.04Å; W11-M111 HydrophobicContact CZ3-SD 3.61Å; V14-M111 HydrophobicContact CG2-CE 4.45Å; V14-M111 HydrophobicContact CG2-CG 4.16Å; I107-M111 HydrophobicContact CG2-CG 4.16Å; I107-M111 HydrophobicContact CG2-SD 4Å; I107-M111 WeakPolarHBondContact O-CB 3.46Å; I107-M111 VanDerWaalsContact O-CG 3.31Å; I107-M111 WeakPolarHBondContact O-CG 3.47Å; I107-M111 PolarHBondContact O-N 3.37Å; E109-M111 VanDerWaalsContact C-N 3.33Å; E109-M111 PolarHBondContact O-N 3.32Å; M111-A115 CarbonylContact O-C 3.47Å; M111-A115 VanDerWaalsContact O-CA 3.28Å; M111-A115 WeakPolarHBondContact O-CA 3.4Å; M111-A115 WeakPolarHBondContact O-CB 3.34Å; M111-A115 PolarHBondContact O-N 3.02Å; M111-G116 PolarHBondContact O-N 3.04Å; M111-G116 VanDerWaalsContact O-N 3.1Å; M111-L117 HydrophobicContact CB-CB 3.8Å; M111-L117 HydrophobicContact CB-CD2 3.69Å; M111-L117 HydrophobicContact CB-CG 4.38Å; M111-L117 HydrophobicContact CE-CD1 4.34Å; M111-L117 HydrophobicContact CE-CD2 4.16Å; M111-L117 PolarHBondContact O-N 3.32Å; M111-L117 VanDerWaalsContact O-N 3.14Å; M111-L117 HydrophobicContact SD-CD2 4.1Å; M111-L125 HydrophobicContact SD-CD2 4.25Å
112	G	98.3	Very high	98.2	Very high	23 Å²	23	38.7 Å²	38.7	24%	0.237	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-46.5	173.3	0	0	0	0	0	112.3	A108 E109 I110 L117	A108-G112 PolarHBondContact O-N 2.88Å; E109-G112 PolarHBondContact O-N 3.41Å; E109-G112 VanDerWaalsContact O-N 3.08Å; I110-G112 VanDerWaalsContact C-N 3.31Å; I110-G112 PolarHBondContact O-N 3.43Å; G112-L117 VanDerWaalsContact CA-O 3.25Å; G112-L117 WeakPolarHBondContact CA-O 3.3Å
113	E	98.1	Very high	98.2	Very high	107 Å²	107	41.8 Å²	41.8	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-71.8	-33.8	-178.1	-69.4	167.7	-168.3	0	0	113.6	R28 E109 I110	R28-E113 IonicContact CZ-OE1 2.73Å; R28-E113 VanDerWaalsContact NH1-CD 3.34Å; R28-E113 IonicContact NH1-OE1 3.91Å; R28-E113 PolarHBondContact NH1-OE1 3.37Å; R28-E113 IonicContact NH1-OE2 3.28Å; R28-E113 PolarHBondContact NH1-OE2 3.29Å; R28-E113 IonicContact NH2-OE1 3.91Å; E109-E113 WeakPolarHBondContact O-CG 3.43Å; E109-E113 PolarHBondContact O-N 3.11Å; I110-E113 PolarHBondContact O-N 3.25Å
114	R	97.1	Very high	98.2	Very high	147 Å²	147	40.9 Å²	40.9	56%	0.555	23%	0.234	S	C	*	.	H	α-helix	trans	-114.1	-22.8	-168.1	-54.5	-58.9	180	169.5	0.6	114.7	L24 I110	L24-R114 HydrophobicContact CD1-CG 4.16Å; I110-R114 HydrophobicContact CG2-CG 4.16Å; I110-R114 VanDerWaalsContact O-CB 3.27Å; I110-R114 WeakPolarHBondContact O-CB 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.41Å; I110-R114 PolarHBondContact O-N 2.98Å
115	A	96.5	Very high	98.2	Very high	13 Å²	13	40.7 Å²	40.7	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-124.4	4.3	-175.4	0	0	0	0	0	113.8	H10 P13 V14 M111 L117	H10-A115 PolarHBondContact ND1-O 3.34Å; H10-A115 WeakPolarHBondContact O-CB 3.38Å; P13-A115 HydrophobicContact CB-CB 4.09Å; P13-A115 HydrophobicContact CG-CB 4.13Å; V14-A115 HydrophobicContact CG2-CB 4.27Å; M111-A115 CarbonylContact O-C 3.47Å; M111-A115 VanDerWaalsContact O-CA 3.28Å; M111-A115 WeakPolarHBondContact O-CA 3.4Å; M111-A115 WeakPolarHBondContact O-CB 3.34Å; M111-A115 PolarHBondContact O-N 3.02Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 3.4Å
116	G	97	Very high	98.2	Very high	47 Å²	47	40.4 Å²	40.4	49%	0.485	23%	0.228	S	C	.	.			trans	70.2	24.4	177	0	0	0	0	0	114	H10 M111 D118	H10-G116 PolarHBondContact CE1-O 2.92Å; H10-G116 PolarHBondContact ND1-O 3.28Å; M111-G116 PolarHBondContact O-N 3.04Å; M111-G116 VanDerWaalsContact O-N 3.1Å; G116-D118 PolarHBondContact O-N 3.06Å
117	L	98	Very high	98.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.244	C	C	.	.			trans	-68.6	109.7	175.3	-169.1	75	0	0	0	109.7	H10 M111 G112 A115 K122	H10-L117 HydrophobicContact CB-CB 4.41Å; H10-L117 HydrophobicContact CB-CD1 3.9Å; M111-L117 HydrophobicContact CB-CB 3.8Å; M111-L117 HydrophobicContact CB-CD2 3.69Å; M111-L117 HydrophobicContact CB-CG 4.38Å; M111-L117 HydrophobicContact CE-CD1 4.34Å; M111-L117 HydrophobicContact CE-CD2 4.16Å; M111-L117 PolarHBondContact O-N 3.32Å; M111-L117 VanDerWaalsContact O-N 3.14Å; M111-L117 HydrophobicContact SD-CD2 4.1Å; G112-L117 VanDerWaalsContact CA-O 3.25Å; G112-L117 WeakPolarHBondContact CA-O 3.3Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 3.4Å; L117-K122 HydrophobicContact CD2-CG 4.05Å; L117-K122 HydrophobicContact CG-CG 4.33Å
118	D	97.7	Very high	98.1	Very high	93 Å²	93	43.3 Å²	43.3	50%	0.497	24%	0.244	S	C	.	.			trans	-74.5	-178.5	-178.7	69.5	19.3	0	0	0	112.9	G116 A120 G121 K122	G116-D118 PolarHBondContact O-N 3.06Å; D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 3.23Å; D118-A120 WeakPolarHBondContact OD1-CB 3.49Å; D118-A120 PolarHBondContact OD1-N 2.81Å; D118-G121 PolarHBondContact O-N 3.15Å; D118-G121 VanDerWaalsContact O-N 3.16Å; D118-G121 PolarHBondContact OD1-N 3.42Å; D118-K122 WeakPolarHBondContact O-CG 3.46Å; D118-K122 PolarHBondContact O-N 3.26Å
119	A	98	Very high	98.1	Very high	81 Å²	81	44 Å²	44	67%	0.669	25%	0.247	S	C	*	.	H	α-helix	trans	-58.8	-37.2	-178.7	0	0	0	0	0	113.2	Q123	A119-Q123 PolarHBondContact O-N 3.07Å
120	A	98.1	Very high	98.1	Very high	57 Å²	57	44.2 Å²	44.2	47%	0.471	26%	0.258	S	S	.	.	H	α-helix	trans	-70	-41.7	177.2	0	0	0	0	0	110.7	D118 Q123 A124	D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 3.23Å; D118-A120 WeakPolarHBondContact OD1-CB 3.49Å; D118-A120 PolarHBondContact OD1-N 2.81Å; A120-Q123 PolarHBondContact O-N 3.4Å; A120-A124 WeakPolarHBondContact O-CB 3.45Å; A120-A124 PolarHBondContact O-N 2.83Å
121	G	98.3	Very high	98	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-40.4	174.1	0	0	0	0	0	113.1	D118 Q123 A124 L125	D118-G121 PolarHBondContact O-N 3.15Å; D118-G121 VanDerWaalsContact O-N 3.16Å; D118-G121 PolarHBondContact OD1-N 3.42Å; G121-Q123 VanDerWaalsContact C-N 3.35Å; G121-A124 WeakPolarHBondContact O-CB 3.39Å; G121-A124 PolarHBondContact O-N 2.74Å; G121-L125 PolarHBondContact O-N 3.38Å
122	K	98.6	Very high	97.9	Very high	37 Å²	37	47.6 Å²	47.6	16%	0.161	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-43.2	173.1	-70.3	-179	178.5	-170	0	111.2	A108 E109 L117 D118 L125 R126	A108-K122 HydrophobicContact CB-CB 4.3Å; A108-K122 HydrophobicContact CB-CG 4.14Å; A108-K122 WeakPolarHBondContact O-CE 3.4Å; E109-K122 IonicContact OE1-NZ 3.44Å; E109-K122 PolarHBondContact OE1-NZ 3.3Å; E109-K122 IonicContact OE2-NZ 2.68Å; E109-K122 PolarHBondContact OE2-NZ 3.12Å; L117-K122 HydrophobicContact CD2-CG 4.05Å; L117-K122 HydrophobicContact CG-CG 4.33Å; D118-K122 WeakPolarHBondContact O-CG 3.46Å; D118-K122 PolarHBondContact O-N 3.26Å; K122-L125 PolarHBondContact O-N 3.37Å; K122-R126 WeakPolarHBondContact O-CG 3.49Å; K122-R126 PolarHBondContact O-N 3.21Å; K122-R126 VanDerWaalsContact O-N 3.07Å
123	Q	98.6	Very high	97.9	Very high	91 Å²	91	47.1 Å²	47.1	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-40.7	175.4	-172.2	57.2	46.9	0	0	112.1	A119 A120 G121 L125 R126 N127	A119-Q123 PolarHBondContact O-N 3.07Å; A120-Q123 PolarHBondContact O-N 3.4Å; G121-Q123 VanDerWaalsContact C-N 3.35Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 3.4Å; Q123-R126 WeakPolarHBondContact O-CB 3.36Å; Q123-R126 PolarHBondContact O-N 2.66Å; Q123-N127 PolarHBondContact NE2-OD1 2.96Å; Q123-N127 VanDerWaalsContact O-CG 3.26Å; Q123-N127 PolarHBondContact O-N 2.85Å; Q123-N127 PolarHBondContact O-OD1 3.06Å
124	A	98.6	Very high	97.9	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-42.7	174.8	0	0	0	0	0	111.7	D3 M6 V7 A120 G121 R126 N127 V128	D3-A124 HydrophobicContact CB-CB 3.81Å; M6-A124 HydrophobicContact CB-CB 3.95Å; M6-A124 HydrophobicContact SD-CB 4.1Å; V7-A124 HydrophobicContact CG2-CB 4.2Å; A120-A124 WeakPolarHBondContact O-CB 3.45Å; A120-A124 PolarHBondContact O-N 2.83Å; G121-A124 WeakPolarHBondContact O-CB 3.39Å; G121-A124 PolarHBondContact O-N 2.74Å; A124-R126 PolarHBondContact O-N 2.8Å; A124-N127 PolarHBondContact O-N 3.3Å; A124-V128 WeakPolarHBondContact O-CG2 3.36Å; A124-V128 PolarHBondContact O-N 2.99Å
125	L	98.6	Very high	97.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-44	174.2	179	61.3	0	0	0	111.8	V7 T104 I107 A108 M111 G121 K122 Q123 N127 V128 M129	V7-L125 HydrophobicContact CG1-CD1 4.18Å; V7-L125 HydrophobicContact CG2-CB 3.84Å; V7-L125 HydrophobicContact CG2-CD1 4.36Å; T104-L125 HydrophobicContact CG2-CG 4.5Å; I107-L125 HydrophobicContact CB-CD2 4.36Å; I107-L125 HydrophobicContact CG2-CD2 3.79Å; A108-L125 HydrophobicContact CB-CD2 3.9Å; M111-L125 HydrophobicContact SD-CD2 4.25Å; G121-L125 PolarHBondContact O-N 3.38Å; K122-L125 PolarHBondContact O-N 3.37Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 3.4Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-N127 PolarHBondContact O-N 2.81Å; L125-V128 PolarHBondContact O-N 3.41Å; L125-M129 HydrophobicContact CD1-CG 3.94Å; L125-M129 HydrophobicContact CG-CG 4.39Å; L125-M129 WeakPolarHBondContact O-CB 3.46Å; L125-M129 WeakPolarHBondContact O-CG 3.3Å; L125-M129 PolarHBondContact O-N 2.97Å
126	R	98.7	Very high	97.8	Very high	69 Å²	69	39.8 Å²	39.8	26%	0.26	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-43.9	175.8	-69.3	179.6	-174.8	107.8	5.9	112	E105 K122 Q123 A124 M129 A130	E105-R126 VanDerWaalsContact CD-NE 3.33Å; E105-R126 WeakPolarHBondContact OE1-CD 3.39Å; E105-R126 IonicContact OE1-CZ 3.61Å; E105-R126 IonicContact OE1-NE 2.8Å; E105-R126 PolarHBondContact OE1-NE 2.84Å; E105-R126 IonicContact OE2-CZ 2.74Å; E105-R126 VanDerWaalsContact OE2-CZ 3.27Å; E105-R126 IonicContact OE2-NE 2.74Å; E105-R126 PolarHBondContact OE2-NE 3.04Å; E105-R126 IonicContact OE2-NH2 3.78Å; E105-R126 PolarHBondContact OE2-NH2 3.3Å; K122-R126 WeakPolarHBondContact O-CG 3.49Å; K122-R126 PolarHBondContact O-N 3.21Å; K122-R126 VanDerWaalsContact O-N 3.07Å; Q123-R126 WeakPolarHBondContact O-CB 3.36Å; Q123-R126 PolarHBondContact O-N 2.66Å; A124-R126 PolarHBondContact O-N 2.8Å; R126-M129 PolarHBondContact O-N 3.16Å; R126-A130 WeakPolarHBondContact O-CB 3.46Å; R126-A130 PolarHBondContact O-N 3.45Å
127	N	98.5	Very high	97.8	Very high	64 Å²	64	39.9 Å²	39.9	34%	0.342	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-46.4	177.9	-66.1	-7.7	0	0	0	111.5	D3 Q123 A124 L125 M129 A130 V131	D3-N127 WeakPolarHBondContact OD2-CB 3.47Å; D3-N127 PolarHBondContact OD2-ND2 3.43Å; Q123-N127 PolarHBondContact NE2-OD1 2.96Å; Q123-N127 VanDerWaalsContact O-CG 3.26Å; Q123-N127 PolarHBondContact O-N 2.85Å; Q123-N127 PolarHBondContact O-OD1 3.06Å; A124-N127 PolarHBondContact O-N 3.3Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-N127 PolarHBondContact O-N 2.81Å; N127-M129 PolarHBondContact O-N 2.89Å; N127-A130 PolarHBondContact O-N 2.95Å; N127-V131 PolarHBondContact O-N 3.19Å
128	V	98.1	Very high	97.7	Very high	4 Å²	4	43 Å²	43	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-49.3	176.1	168	0	0	0	0	110.5	D3 F4 L72 A124 L125 A130 V131 V132	D3-V128 HydrophobicContact CB-CG2 3.88Å; F4-V128 HydrophobicContact CD1-CG1 3.97Å; F4-V128 HydrophobicContact CD1-CG2 4Å; F4-V128 HydrophobicContact CD2-CG2 3.96Å; F4-V128 HydrophobicContact CE1-CB 4.42Å; F4-V128 HydrophobicContact CE1-CG1 3.47Å; F4-V128 VanDerWaalsContact CE1-CG1 3.47Å; F4-V128 HydrophobicContact CE1-CG2 4.08Å; F4-V128 HydrophobicContact CE2-CG2 4.03Å; F4-V128 HydrophobicContact CG-CG2 3.95Å; F4-V128 HydrophobicContact CZ-CB 4.48Å; F4-V128 HydrophobicContact CZ-CG1 3.82Å; F4-V128 HydrophobicContact CZ-CG2 4.09Å; L72-V128 HydrophobicContact CD2-CG1 3.89Å; A124-V128 WeakPolarHBondContact O-CG2 3.36Å; A124-V128 PolarHBondContact O-N 2.99Å; L125-V128 PolarHBondContact O-N 3.41Å; V128-A130 VanDerWaalsContact C-N 3.31Å; V128-A130 PolarHBondContact O-N 3.5Å; V128-V131 PolarHBondContact O-N 3.24Å; V128-V132 HydrophobicContact CG1-CG2 4.46Å; V128-V132 WeakPolarHBondContact O-CG2 3.39Å; V128-V132 PolarHBondContact O-N 3.42Å; V128-V132 VanDerWaalsContact O-N 3.11Å
129	M	98.3	Very high	97.7	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.069	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-29.2	-178.6	-71	-55.4	-60.4	0	0	112.7	L68 T104 L125 R126 N127 V131 V132 I133	L68-M129 HydrophobicContact CD1-SD 3.68Å; T104-M129 HydrophobicContact CG2-CB 3.62Å; T104-M129 HydrophobicContact CG2-CG 3.66Å; T104-M129 WeakPolarHBondContact OG1-CB 3.26Å; T104-M129 WeakPolarHBondContact OG1-CG 3.35Å; L125-M129 HydrophobicContact CD1-CG 3.94Å; L125-M129 HydrophobicContact CG-CG 4.39Å; L125-M129 WeakPolarHBondContact O-CB 3.46Å; L125-M129 WeakPolarHBondContact O-CG 3.3Å; L125-M129 PolarHBondContact O-N 2.97Å; R126-M129 PolarHBondContact O-N 3.16Å; N127-M129 PolarHBondContact O-N 2.89Å; M129-V131 VanDerWaalsContact C-N 3.31Å; M129-V131 PolarHBondContact O-N 2.93Å; M129-V132 HydrophobicContact CE-CB 4.44Å; M129-V132 HydrophobicContact CE-CG1 4.25Å; M129-V132 PolarHBondContact O-N 3.3Å; M129-V132 HydrophobicContact SD-CB 4.4Å; M129-V132 HydrophobicContact SD-CG2 4.45Å; M129-I133 HydrophobicContact CB-CD1 4.41Å; M129-I133 VanDerWaalsContact O-CB 3.25Å; M129-I133 WeakPolarHBondContact O-CB 3.48Å; M129-I133 WeakPolarHBondContact O-CD1 3.44Å; M129-I133 WeakPolarHBondContact O-CG1 3.47Å; M129-I133 PolarHBondContact O-N 3.41Å
130	A	98.1	Very high	97.6	Very high	60 Å²	60	35.6 Å²	35.6	50%	0.496	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-42.1	173.5	0	0	0	0	0	111.7	R126 N127 V128 A134	R126-A130 WeakPolarHBondContact O-CB 3.46Å; R126-A130 PolarHBondContact O-N 3.45Å; N127-A130 PolarHBondContact O-N 2.95Å; V128-A130 VanDerWaalsContact C-N 3.31Å; V128-A130 PolarHBondContact O-N 3.5Å; A130-A134 WeakPolarHBondContact O-CB 3.37Å; A130-A134 PolarHBondContact O-N 3.37Å
131	V	96.8	Very high	97.6	Very high	78 Å²	78	39.1 Å²	39.1	47%	0.473	22%	0.215	S	C	.	.	H	α-helix	trans	-66	-48.8	174.9	179.3	0	0	0	0	110.6	N127 V128 M129 I133 A134 D135	N127-V131 PolarHBondContact O-N 3.19Å; V128-V131 PolarHBondContact O-N 3.24Å; M129-V131 VanDerWaalsContact C-N 3.31Å; M129-V131 PolarHBondContact O-N 2.93Å; V131-I133 VanDerWaalsContact C-N 3.3Å; V131-I133 PolarHBondContact O-N 2.87Å; V131-A134 PolarHBondContact O-N 3.12Å; V131-D135 PolarHBondContact O-N 2.97Å
132	V	96.9	Very high	97.5	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-44.4	178.1	174	0	0	0	0	111.3	L71 L82 V128 M129 D135 I136	L71-V132 HydrophobicContact CD1-CG1 4.41Å; L82-V132 HydrophobicContact CD1-CG1 3.76Å; L82-V132 HydrophobicContact CD2-CG1 4.38Å; V128-V132 HydrophobicContact CG1-CG2 4.46Å; V128-V132 WeakPolarHBondContact O-CG2 3.39Å; V128-V132 PolarHBondContact O-N 3.42Å; V128-V132 VanDerWaalsContact O-N 3.11Å; M129-V132 HydrophobicContact CE-CB 4.44Å; M129-V132 HydrophobicContact CE-CG1 4.25Å; M129-V132 PolarHBondContact O-N 3.3Å; M129-V132 HydrophobicContact SD-CB 4.4Å; M129-V132 HydrophobicContact SD-CG2 4.45Å; V132-D135 PolarHBondContact O-N 3.14Å; V132-I136 HydrophobicContact CG1-CD1 4.04Å; V132-I136 VanDerWaalsContact O-CG1 3.3Å; V132-I136 WeakPolarHBondContact O-CG1 3.16Å; V132-I136 PolarHBondContact O-N 3.05Å
133	I	97.8	Very high	97.4	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-39	-179.6	-69.4	167.1	0	0	0	111	I97 F100 K101 M129 V131 D135 I136 D137	I97-I133 HydrophobicContact CG2-CG2 3.71Å; F100-I133 HydrophobicContact CB-CD1 3.78Å; F100-I133 HydrophobicContact CB-CG1 3.69Å; K101-I133 HydrophobicContact CG-CD1 3.89Å; M129-I133 HydrophobicContact CB-CD1 4.41Å; M129-I133 VanDerWaalsContact O-CB 3.25Å; M129-I133 WeakPolarHBondContact O-CB 3.48Å; M129-I133 WeakPolarHBondContact O-CD1 3.44Å; M129-I133 WeakPolarHBondContact O-CG1 3.47Å; M129-I133 PolarHBondContact O-N 3.41Å; V131-I133 VanDerWaalsContact C-N 3.3Å; V131-I133 PolarHBondContact O-N 2.87Å; I133-D135 VanDerWaalsContact C-N 3.31Å; I133-D135 PolarHBondContact O-N 3.32Å; I133-I136 PolarHBondContact O-N 3.31Å; I133-D137 WeakPolarHBondContact O-CB 3.47Å; I133-D137 PolarHBondContact O-N 3.35Å
134	A	96.8	Very high	97.2	Very high	50 Å²	50	46.3 Å²	46.3	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-38.7	175.3	0	0	0	0	0	112.1	A130 V131 D137 T138	A130-A134 WeakPolarHBondContact O-CB 3.37Å; A130-A134 PolarHBondContact O-N 3.37Å; V131-A134 PolarHBondContact O-N 3.12Å; A134-D137 PolarHBondContact O-N 2.95Å; A134-T138 PolarHBondContact O-N 2.98Å; A134-T138 PolarHBondContact O-OG1 3.46Å
135	D	96.2	Very high	97.1	Very high	61 Å²	61	48 Å²	48	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-70.5	-36.7	176.5	-69.5	-16.7	0	0	0	112	H78 L82 V131 V132 I133 T138 T139	H78-D135 IonicContact CD2-OD2 3.74Å; H78-D135 IonicContact CE1-OD2 2.66Å; H78-D135 IonicContact NE2-OD2 3.76Å; H78-D135 PolarHBondContact NE2-OD2 3.36Å; L82-D135 HydrophobicContact CD2-CB 3.37Å; V131-D135 PolarHBondContact O-N 2.97Å; V132-D135 PolarHBondContact O-N 3.14Å; I133-D135 VanDerWaalsContact C-N 3.31Å; I133-D135 PolarHBondContact O-N 3.32Å; D135-T138 PolarHBondContact O-N 3.49Å; D135-T139 PolarHBondContact O-N 3.37Å; D135-T139 VanDerWaalsContact O-N 3.15Å; D135-T139 PolarHBondContact O-OG1 3.12Å
136	I	97	Very high	96	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-47.3	171	-66.6	167.8	0	0	0	110	L82 L85 A86 I97 F100 V132 I133 T138 T139 Y140	L82-I136 HydrophobicContact CD1-CD1 4Å; L82-I136 HydrophobicContact CD1-CG1 3.69Å; L82-I136 HydrophobicContact CD2-CG1 4.24Å; L82-I136 HydrophobicContact CG-CG1 4.05Å; L85-I136 HydrophobicContact CD2-CD1 3.93Å; L85-I136 HydrophobicContact CD2-CG1 4.4Å; A86-I136 HydrophobicContact CB-CB 4.31Å; A86-I136 HydrophobicContact CB-CG1 4.21Å; A86-I136 HydrophobicContact CB-CG2 3.98Å; I97-I136 HydrophobicContact CD1-CB 4.26Å; I97-I136 HydrophobicContact CD1-CG2 3.71Å; F100-I136 HydrophobicContact CD1-CD1 4.18Å; F100-I136 HydrophobicContact CE1-CD1 4.05Å; F100-I136 HydrophobicContact CE2-CD1 4.46Å; F100-I136 HydrophobicContact CE2-CG2 4.06Å; F100-I136 HydrophobicContact CG-CD1 4.43Å; F100-I136 HydrophobicContact CZ-CD1 4.19Å; F100-I136 HydrophobicContact CZ-CG2 4.35Å; V132-I136 HydrophobicContact CG1-CD1 4.04Å; V132-I136 VanDerWaalsContact O-CG1 3.3Å; V132-I136 WeakPolarHBondContact O-CG1 3.16Å; V132-I136 PolarHBondContact O-N 3.05Å; I133-I136 PolarHBondContact O-N 3.31Å; I136-T138 VanDerWaalsContact C-N 3.29Å; I136-T138 PolarHBondContact O-N 3.09Å; I136-T139 CarbonylContact O-C 3.24Å; I136-T139 WeakPolarHBondContact O-CB 3.4Å; I136-T139 PolarHBondContact O-N 3.42Å; I136-T139 VanDerWaalsContact O-N 3.09Å; I136-Y140 HydrophobicContact CG2-CD1 3.66Å; I136-Y140 HydrophobicContact CG2-CE1 3.4Å; I136-Y140 HydrophobicContact CG2-CE2 4.4Å; I136-Y140 HydrophobicContact CG2-CG 4.32Å; I136-Y140 VanDerWaalsContact O-CD1 3.27Å; I136-Y140 WeakPolarHBondContact O-CD1 3.43Å; I136-Y140 PolarHBondContact O-N 3.46Å
137	D	96.7	Very high	94.3	Very high	48 Å²	48	52.6 Å²	52.6	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-36.8	-179.9	-177.1	48.2	0	0	0	112	I97 I133 A134 Y140 K141	I97-D137 HydrophobicContact CD1-CB 3.83Å; I97-D137 HydrophobicContact CG1-CB 4.18Å; I133-D137 WeakPolarHBondContact O-CB 3.47Å; I133-D137 PolarHBondContact O-N 3.35Å; A134-D137 PolarHBondContact O-N 2.95Å; D137-Y140 WeakPolarHBondContact O-CB 3.46Å; D137-Y140 PolarHBondContact O-N 3.04Å; D137-K141 WeakPolarHBondContact O-CG 3.21Å; D137-K141 PolarHBondContact O-N 3.41Å; D137-K141 IonicContact OD1-NZ 2.96Å; D137-K141 WeakPolarHBondContact OD2-CE 3.22Å; D137-K141 IonicContact OD2-NZ 2.72Å; D137-K141 PolarHBondContact OD2-NZ 2.71Å
138	T	96.2	Very high	94.1	Very high	71 Å²	71	52.1 Å²	52.1	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-48.3	171.7	-59.5	0	0	0	0	111	A134 D135 I136 Y140 K141 E142	A134-T138 PolarHBondContact O-N 2.98Å; A134-T138 PolarHBondContact O-OG1 3.46Å; D135-T138 PolarHBondContact O-N 3.49Å; I136-T138 VanDerWaalsContact C-N 3.29Å; I136-T138 PolarHBondContact O-N 3.09Å; T138-Y140 VanDerWaalsContact C-N 3.33Å; T138-Y140 PolarHBondContact O-N 3.22Å; T138-K141 PolarHBondContact O-N 2.76Å; T138-E142 WeakPolarHBondContact O-CG 3.29Å; T138-E142 PolarHBondContact O-N 3.05Å; T138-E142 VanDerWaalsContact O-N 3.07Å
139	T	96.1	Very high	93.9	Very high	17 Å²	17	54.6 Å²	54.6	10%	0.104	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-37.2	176.9	-53.9	0	0	0	0	111.9	A86 D135 I136 E142 L143	A86-T139 HydrophobicContact CB-CG2 3.68Å; D135-T139 PolarHBondContact O-N 3.37Å; D135-T139 VanDerWaalsContact O-N 3.15Å; D135-T139 PolarHBondContact O-OG1 3.12Å; I136-T139 CarbonylContact O-C 3.24Å; I136-T139 WeakPolarHBondContact O-CB 3.4Å; I136-T139 PolarHBondContact O-N 3.42Å; I136-T139 VanDerWaalsContact O-N 3.09Å; T139-E142 PolarHBondContact O-N 3.23Å; T139-L143 HydrophobicContact CG2-CD1 3.97Å; T139-L143 VanDerWaalsContact O-CG 3.27Å; T139-L143 WeakPolarHBondContact O-CG 3.5Å; T139-L143 PolarHBondContact O-N 3.15Å; T139-L143 VanDerWaalsContact O-N 3.1Å
140	Y	97.6	Very high	93.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.2	-83.6	23.1	0	0	0	111.5	A86 H89 A90 I95 I97 I136 D137 T138 L143 G144 F145	A86-Y140 HydrophobicContact CB-CD1 4.48Å; A86-Y140 HydrophobicContact CB-CE1 4.44Å; A86-Y140 VanDerWaalsContact O-CE1 3.29Å; A86-Y140 WeakPolarHBondContact O-CE1 3.46Å; H89-Y140 VanDerWaalsContact C-OH 3.24Å; H89-Y140 HydrophobicContact CB-CE1 4.29Å; H89-Y140 WeakPolarHBondContact CB-OH 3.27Å; H89-Y140 PolarHBondContact O-OH 3.34Å; A90-Y140 HydrophobicContact CB-CD1 3.62Å; A90-Y140 HydrophobicContact CB-CE1 3.56Å; A90-Y140 HydrophobicContact CB-CG 4.2Å; A90-Y140 PolarHBondContact N-OH 2.98Å; I95-Y140 WeakPolarHBondContact O-CE2 3.45Å; I95-Y140 PolarHBondContact O-OH 3.09Å; I97-Y140 HydrophobicContact CD1-CD2 3.6Å; I97-Y140 HydrophobicContact CD1-CE2 3.71Å; I97-Y140 HydrophobicContact CD1-CG 4.25Å; I97-Y140 HydrophobicContact CG1-CD2 3.61Å; I97-Y140 HydrophobicContact CG1-CE2 3.82Å; I136-Y140 HydrophobicContact CG2-CD1 3.66Å; I136-Y140 HydrophobicContact CG2-CE1 3.4Å; I136-Y140 HydrophobicContact CG2-CE2 4.4Å; I136-Y140 HydrophobicContact CG2-CG 4.32Å; I136-Y140 VanDerWaalsContact O-CD1 3.27Å; I136-Y140 WeakPolarHBondContact O-CD1 3.43Å; I136-Y140 PolarHBondContact O-N 3.46Å; D137-Y140 WeakPolarHBondContact O-CB 3.46Å; D137-Y140 PolarHBondContact O-N 3.04Å; T138-Y140 VanDerWaalsContact C-N 3.33Å; T138-Y140 PolarHBondContact O-N 3.22Å; Y140-L143 CarbonylContact O-C 3.57Å; Y140-L143 PolarHBondContact O-N 3.4Å; Y140-L143 VanDerWaalsContact O-N 3.12Å; Y140-G144 PolarHBondContact O-N 2.96Å; Y140-G144 VanDerWaalsContact O-N 3.15Å; Y140-F145 CarbonylContact C-O 3.54Å; Y140-F145 AromaticContact CD2-CD1 3.32Å; Y140-F145 HydrophobicContact CD2-CD1 3.32Å; Y140-F145 AromaticContact CD2-CE1 3.71Å; Y140-F145 HydrophobicContact CD2-CE1 3.71Å; Y140-F145 AromaticContact CE2-CD1 3.49Å; Y140-F145 HydrophobicContact CE2-CD1 3.49Å; Y140-F145 VanDerWaalsContact CE2-CD1 3.49Å; Y140-F145 AromaticContact CE2-CE1 3.43Å; Y140-F145 HydrophobicContact CE2-CE1 3.43Å; Y140-F145 VanDerWaalsContact CE2-CE1 3.43Å; Y140-F145 AromaticContact CG-CD1 3.89Å; Y140-F145 HydrophobicContact CG-CD1 3.89Å; Y140-F145 PolarHBondContact O-N 3.17Å
141	K	96.4	Very high	93.4	Very high	132 Å²	132	56.6 Å²	56.6	57%	0.574	35%	0.347	S	S	*	.	H	α-helix	trans	-61.7	-43.1	176.5	-72.8	163.9	176.7	162.6	0	112.2	D137 T138 L143 G144	D137-K141 WeakPolarHBondContact O-CG 3.21Å; D137-K141 PolarHBondContact O-N 3.41Å; D137-K141 IonicContact OD1-NZ 2.96Å; D137-K141 WeakPolarHBondContact OD2-CE 3.22Å; D137-K141 IonicContact OD2-NZ 2.72Å; D137-K141 PolarHBondContact OD2-NZ 2.71Å; T138-K141 PolarHBondContact O-N 2.76Å; K141-L143 PolarHBondContact O-N 2.95Å; K141-G144 PolarHBondContact O-N 2.62Å
142	E	96.3	Very high	93.2	Very high	136 Å²	136	55.3 Å²	55.3	64%	0.636	34%	0.339	S	S	*	.	H	α-helix	trans	-58.8	-34	174	-71.2	176.2	-178.1	0	0	112.5	T138 T139 G144	T138-E142 WeakPolarHBondContact O-CG 3.29Å; T138-E142 PolarHBondContact O-N 3.05Å; T138-E142 VanDerWaalsContact O-N 3.07Å; T139-E142 PolarHBondContact O-N 3.23Å; E142-G144 VanDerWaalsContact C-N 3.31Å
143	L	96.6	Very high	92.9	Very high	79 Å²	79	58.7 Å²	58.7	41%	0.414	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	3	178.6	-64.9	170.9	0	0	0	113.5	T87 A90 T91 T139 Y140 K141 F145	T87-L143 HydrophobicContact CG2-CD1 4.25Å; A90-L143 HydrophobicContact CB-CD1 4.07Å; T91-L143 HydrophobicContact CG2-CD1 4.14Å; T139-L143 HydrophobicContact CG2-CD1 3.97Å; T139-L143 VanDerWaalsContact O-CG 3.27Å; T139-L143 WeakPolarHBondContact O-CG 3.5Å; T139-L143 PolarHBondContact O-N 3.15Å; T139-L143 VanDerWaalsContact O-N 3.1Å; Y140-L143 CarbonylContact O-C 3.57Å; Y140-L143 PolarHBondContact O-N 3.4Å; Y140-L143 VanDerWaalsContact O-N 3.12Å; K141-L143 PolarHBondContact O-N 2.95Å; L143-F145 PolarHBondContact O-N 3.06Å
144	G	95.8	Very high	92.6	Very high	65 Å²	65	62 Å²	62	67%	0.67	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	20.7	-177.8	0	0	0	0	0	114.1	Y140 K141 E142	Y140-G144 PolarHBondContact O-N 2.96Å; Y140-G144 VanDerWaalsContact O-N 3.15Å; K141-G144 PolarHBondContact O-N 2.62Å; E142-G144 VanDerWaalsContact C-N 3.31Å
145	F	95.3	Very high	92.3	Very high	39 Å²	39	62.9 Å²	62.9	17%	0.171	38%	0.379	C	S	.	.			trans	-95.5	120.9	174.4	-177	-101.7	0	0	0	109.7	A90 K94 Y140 L143	A90-F145 HydrophobicContact CB-CB 3.96Å; A90-F145 HydrophobicContact CB-CD1 4.09Å; A90-F145 HydrophobicContact CB-CG 4.07Å; K94-F145 HydrophobicContact CB-CE2 4.5Å; K94-F145 HydrophobicContact CD-CD2 4.47Å; K94-F145 HydrophobicContact CD-CE2 4.05Å; Y140-F145 CarbonylContact C-O 3.54Å; Y140-F145 AromaticContact CD2-CD1 3.32Å; Y140-F145 HydrophobicContact CD2-CD1 3.32Å; Y140-F145 AromaticContact CD2-CE1 3.71Å; Y140-F145 HydrophobicContact CD2-CE1 3.71Å; Y140-F145 AromaticContact CE2-CD1 3.49Å; Y140-F145 HydrophobicContact CE2-CD1 3.49Å; Y140-F145 VanDerWaalsContact CE2-CD1 3.49Å; Y140-F145 AromaticContact CE2-CE1 3.43Å; Y140-F145 HydrophobicContact CE2-CE1 3.43Å; Y140-F145 VanDerWaalsContact CE2-CE1 3.43Å; Y140-F145 AromaticContact CG-CD1 3.89Å; Y140-F145 HydrophobicContact CG-CD1 3.89Å; Y140-F145 PolarHBondContact O-N 3.17Å; L143-F145 PolarHBondContact O-N 3.06Å
146	S	75.4	Confident	91.9	Very high	120 Å²	120	63.1 Å²	63.1	84%	0.839	38%	0.383	S	S	*	.			trans	-115.7	89.2	176.3	-52.3	0	0	0	0	108.6
147	G	63.9	Low	91.5	Very high	47 Å²	47	68.5 Å²	68.5	49%	0.485	42%	0.417	S	S	.	.			trans	-152.7	0	178.1	0	0	0	0	0	110.2	P96 I97	P96-G147 WeakPolarHBondContact CA-OXT 3.11Å; P96-G147 WeakPolarHBondContact CB-OXT 3.49Å; I97-G147 WeakPolarHBondContact CB-O 3.45Å; I97-G147 VanDerWaalsContact CG1-O 3.25Å; I97-G147 WeakPolarHBondContact CG1-O 3.48Å; I97-G147 PolarHBondContact N-O 3.46Å; I97-G147 PolarHBondContact N-OXT 2.92Å

Retrieved 147 of 147 residues in 590.9 ms (Link to these results)

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