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Complex III assembly factor LYRM7 AlphaSync

Assembly factor required for Rieske Fe-S protein UQCRFS1 incorporation into the cytochrome b-c1 (CIII) complex. Functions as a chaperone, binding to this subunit within the mitochondrial matrix and stabilizing it prior to its translocation and insertion into the late CIII dimeric intermediate within the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0AA82N824, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 105 aa.

						>A0AA82N824_SCHMA|A0AA82N824
MIVMQRARALNIFKKLHRTCENVFKDDIETLQNAREKINSEFRANRNETDAEKINELLVKAEDCEILIRTTVIQMELIDAEKNVYRMNLRDDLAYQDNEHCIKDK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	63.4	Low	86.3	Confident	174 Å²	174	100.5 Å²	100.5	86%	0.857	52%	0.515	S	S	*	.				0	-52.5	0	-124	176.4	-75.8	0	0	112.5	V3 M4 Q5	M1-V3 PolarHBondContact O-N 2.99Å; M1-M4 PolarHBondContact O-N 3.13Å; M1-M4 VanDerWaalsContact O-N 3.13Å; M1-Q5 PolarHBondContact O-N 3.21Å
2	I	69.5	Low	87.2	Confident	118 Å²	118	92.6 Å²	92.6	61%	0.605	47%	0.474	S	S	*	.	H	α-helix	trans	-55.5	-41.1	-176.9	-60.4	172.2	0	0	0	114.2	M4 Q5 R6	I2-M4 VanDerWaalsContact C-N 3.33Å; I2-M4 PolarHBondContact O-N 3.28Å; I2-Q5 PolarHBondContact O-N 3.21Å; I2-R6 PolarHBondContact O-N 3.39Å
3	V	75.7	Confident	88	Confident	121 Å²	121	89.7 Å²	89.7	73%	0.733	46%	0.456	S	S	*	.	H	α-helix	trans	-62.1	-39.2	179.1	-179.8	0	0	0	0	112.1	M1 R6 A7	M1-V3 PolarHBondContact O-N 2.99Å; V3-R6 PolarHBondContact O-N 3.19Å; V3-A7 PolarHBondContact O-N 3.15Å; V3-A7 VanDerWaalsContact O-N 3.15Å
4	M	82.2	Confident	88.8	Confident	138 Å²	138	92.1 Å²	92.1	68%	0.68	46%	0.462	S	S	*	.	H	α-helix	trans	-67.1	-39.3	176.9	-66	-167.7	-66.3	0	0	111.3	M1 I2 R6 A7 R8	M1-M4 PolarHBondContact O-N 3.13Å; M1-M4 VanDerWaalsContact O-N 3.13Å; I2-M4 VanDerWaalsContact C-N 3.33Å; I2-M4 PolarHBondContact O-N 3.28Å; M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 2.97Å; M4-A7 PolarHBondContact O-N 3.44Å; M4-R8 PolarHBondContact O-N 3.36Å
5	Q	88.4	Confident	89.4	Confident	25 Å²	25	91.7 Å²	91.7	12%	0.117	46%	0.456	C	S	.	.	H	α-helix	trans	-63.5	-39.3	175.5	-69.5	176.9	-34.7	0	0	111.8	M1 I2 A7 R8 A9 A51 I54	M1-Q5 PolarHBondContact O-N 3.21Å; I2-Q5 PolarHBondContact O-N 3.21Å; Q5-A7 PolarHBondContact O-N 3.2Å; Q5-R8 PolarHBondContact O-N 3.3Å; Q5-A9 WeakPolarHBondContact O-CB 3.43Å; Q5-A9 PolarHBondContact O-N 3.19Å; Q5-A51 PolarHBondContact NE2-O 3.46Å; Q5-I54 HydrophobicContact CB-CG2 3.94Å; Q5-I54 HydrophobicContact CG-CG2 4.2Å
6	R	91	Very high	89.9	Confident	180 Å²	180	86.6 Å²	86.6	68%	0.679	43%	0.431	S	S	*	.	H	α-helix	trans	-61.7	-44.2	174.6	-175.4	-178.3	174.4	89.5	-0.6	112.2	I2 V3 M4 A9 L10	I2-R6 PolarHBondContact O-N 3.39Å; V3-R6 PolarHBondContact O-N 3.19Å; M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 2.97Å; R6-A9 PolarHBondContact O-N 2.92Å; R6-L10 HydrophobicContact CG-CD1 4.44Å; R6-L10 WeakPolarHBondContact O-CG 3.12Å; R6-L10 PolarHBondContact O-N 3.4Å; R6-L10 VanDerWaalsContact O-N 3.07Å
7	A	94	Very high	90.4	Very high	61 Å²	61	82.6 Å²	82.6	50%	0.504	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-43.1	177.5	0	0	0	0	0	111.6	V3 M4 Q5 L10 N11	V3-A7 PolarHBondContact O-N 3.15Å; V3-A7 VanDerWaalsContact O-N 3.15Å; M4-A7 PolarHBondContact O-N 3.44Å; Q5-A7 PolarHBondContact O-N 3.2Å; A7-L10 PolarHBondContact O-N 3.43Å; A7-N11 PolarHBondContact O-N 3.38Å
8	R	95.3	Very high	90.8	Very high	74 Å²	74	86.8 Å²	86.8	28%	0.279	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-47.6	174.8	-173.5	179.6	175.3	-158	3.2	111.5	M4 Q5 L10 N11 I12 N55 L58 E62	M4-R8 PolarHBondContact O-N 3.36Å; Q5-R8 PolarHBondContact O-N 3.3Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 3.48Å; R8-N11 WeakPolarHBondContact O-CB 3.23Å; R8-N11 PolarHBondContact O-N 3.36Å; R8-N11 VanDerWaalsContact O-N 3.09Å; R8-I12 HydrophobicContact CG-CD1 3.74Å; R8-I12 HydrophobicContact CG-CG1 4.37Å; R8-I12 WeakPolarHBondContact O-CG1 3.43Å; R8-I12 PolarHBondContact O-N 2.84Å; R8-N55 PolarHBondContact NH1-OD1 3.43Å; R8-L58 HydrophobicContact CB-CD1 4.1Å; R8-L58 HydrophobicContact CG-CD1 4.04Å; R8-E62 IonicContact CZ-OE1 3.45Å; R8-E62 IonicContact CZ-OE2 3.66Å; R8-E62 IonicContact NE-OE1 2.84Å; R8-E62 PolarHBondContact NE-OE1 3.07Å; R8-E62 IonicContact NE-OE2 3.83Å; R8-E62 VanDerWaalsContact NH2-CD 3.27Å; R8-E62 IonicContact NH2-OE1 3.7Å; R8-E62 PolarHBondContact NH2-OE1 3.43Å; R8-E62 IonicContact NH2-OE2 3.07Å; R8-E62 PolarHBondContact NH2-OE2 2.99Å
9	A	96.1	Very high	91.1	Very high	23 Å²	23	82.7 Å²	82.7	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-55.2	-46.2	176.8	0	0	0	0	0	112.5	Q5 R6 N11 F13 L58	Q5-A9 WeakPolarHBondContact O-CB 3.43Å; Q5-A9 PolarHBondContact O-N 3.19Å; R6-A9 PolarHBondContact O-N 2.92Å; A9-N11 VanDerWaalsContact C-N 3.35Å; A9-N11 PolarHBondContact O-N 3.34Å; A9-F13 VanDerWaalsContact O-CB 3.24Å; A9-F13 WeakPolarHBondContact O-CB 3.45Å; A9-F13 PolarHBondContact O-N 3.35Å; A9-L58 HydrophobicContact CB-CD1 4.29Å; A9-L58 HydrophobicContact CB-CD2 3.66Å
10	L	96	Very high	91.4	Very high	87 Å²	87	78.9 Å²	78.9	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-66.5	-35.4	177.8	-70.3	173.5	0	0	0	112.8	R6 A7 R8 K14	R6-L10 HydrophobicContact CG-CD1 4.44Å; R6-L10 WeakPolarHBondContact O-CG 3.12Å; R6-L10 PolarHBondContact O-N 3.4Å; R6-L10 VanDerWaalsContact O-N 3.07Å; A7-L10 PolarHBondContact O-N 3.43Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 3.48Å; L10-K14 WeakPolarHBondContact O-CG 3.5Å; L10-K14 PolarHBondContact O-N 3.03Å; L10-K14 VanDerWaalsContact O-N 3.11Å
11	N	97.4	Very high	91.7	Very high	105 Å²	105	79.5 Å²	79.5	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-65.5	-52.4	176.2	-169.8	-24.7	0	0	0	110.4	A7 R8 A9 F13 K14 K15	A7-N11 PolarHBondContact O-N 3.38Å; R8-N11 WeakPolarHBondContact O-CB 3.23Å; R8-N11 PolarHBondContact O-N 3.36Å; R8-N11 VanDerWaalsContact O-N 3.09Å; A9-N11 VanDerWaalsContact C-N 3.35Å; A9-N11 PolarHBondContact O-N 3.34Å; N11-F13 VanDerWaalsContact C-N 3.31Å; N11-F13 PolarHBondContact O-N 3.5Å; N11-K14 PolarHBondContact O-N 2.98Å; N11-K14 VanDerWaalsContact O-N 3.17Å; N11-K15 WeakPolarHBondContact O-CB 3.3Å; N11-K15 PolarHBondContact O-N 3.48Å
12	I	97.7	Very high	93.2	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-59.4	-44	178.7	-59.4	159	0	0	0	110.8	R8 K14 K15 L16 F42 L58 A61 E62	R8-I12 HydrophobicContact CG-CD1 3.74Å; R8-I12 HydrophobicContact CG-CG1 4.37Å; R8-I12 WeakPolarHBondContact O-CG1 3.43Å; R8-I12 PolarHBondContact O-N 2.84Å; I12-K14 PolarHBondContact O-N 3.3Å; I12-K15 PolarHBondContact O-N 2.87Å; I12-K15 VanDerWaalsContact O-N 3.15Å; I12-L16 HydrophobicContact CG2-CD1 4.03Å; I12-L16 HydrophobicContact CG2-CG 4.4Å; I12-L16 WeakPolarHBondContact O-CB 3.35Å; I12-L16 PolarHBondContact O-N 3.28Å; I12-F42 HydrophobicContact CG2-CZ 4.32Å; I12-L58 HydrophobicContact CD1-CB 3.79Å; I12-L58 HydrophobicContact CD1-CD2 3.9Å; I12-L58 HydrophobicContact CD1-CG 4.25Å; I12-A61 HydrophobicContact CG2-CB 3.68Å; I12-E62 HydrophobicContact CD1-CG 3.55Å; I12-E62 VanDerWaalsContact CD1-OE1 3.29Å; I12-E62 WeakPolarHBondContact CD1-OE1 3.43Å; I12-E62 HydrophobicContact CG1-CG 3.54Å; I12-E62 HydrophobicContact CG2-CG 4.17Å
13	F	98	Very high	94.4	Very high	55 Å²	55	70.7 Å²	70.7	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-55.2	-49.6	176.1	177.9	-96.6	0	0	0	112	A9 N11 K15 H17 I38 N39 F42	A9-F13 VanDerWaalsContact O-CB 3.24Å; A9-F13 WeakPolarHBondContact O-CB 3.45Å; A9-F13 PolarHBondContact O-N 3.35Å; N11-F13 VanDerWaalsContact C-N 3.31Å; N11-F13 PolarHBondContact O-N 3.5Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-H17 AromaticContact CD1-CD2 3.96Å; F13-H17 AromaticContact CE1-CD2 3.62Å; F13-H17 AromaticContact CE1-NE2 3.67Å; F13-H17 AromaticContact CE2-CD2 3.97Å; F13-H17 AromaticContact CE2-NE2 3.39Å; F13-H17 WeakPolarHBondContact CE2-NE2 3.38Å; F13-H17 AromaticContact CZ-CD2 3.65Å; F13-H17 AromaticContact CZ-NE2 3.17Å; F13-H17 WeakPolarHBondContact CZ-NE2 3.41Å; F13-H17 PolarHBondContact O-CD2 3.35Å; F13-H17 PolarHBondContact O-N 2.88Å; F13-I38 HydrophobicContact CD2-CG2 3.88Å; F13-I38 HydrophobicContact CE2-CG2 3.86Å; F13-N39 VanDerWaalsContact CE2-OD1 3.26Å; F13-N39 WeakPolarHBondContact CE2-OD1 3.49Å; F13-N39 WeakPolarHBondContact CZ-OD1 3.46Å; F13-F42 HydrophobicContact CB-CD1 4.18Å; F13-F42 HydrophobicContact CB-CE1 3.8Å; F13-F42 HydrophobicContact CB-CZ 4.01Å; F13-F42 HydrophobicContact CD2-CB 4.14Å; F13-F42 AromaticContact CD2-CD1 3.93Å; F13-F42 HydrophobicContact CD2-CD1 3.93Å; F13-F42 AromaticContact CD2-CD2 3.84Å; F13-F42 HydrophobicContact CD2-CD2 3.84Å; F13-F42 HydrophobicContact CD2-CE1 4.27Å; F13-F42 HydrophobicContact CD2-CE2 4.17Å; F13-F42 AromaticContact CD2-CG 3.69Å; F13-F42 HydrophobicContact CD2-CG 3.69Å; F13-F42 HydrophobicContact CD2-CZ 4.37Å; F13-F42 HydrophobicContact CE2-CB 4.37Å; F13-F42 HydrophobicContact CE2-CG 4.36Å; F13-F42 HydrophobicContact CG-CD1 4.48Å
14	K	98.1	Very high	95.4	Very high	124 Å²	124	66.7 Å²	66.7	54%	0.539	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-38.1	177.2	-71.5	175.5	-177.9	-177.9	0	112.1	L10 N11 I12 H17 R18	L10-K14 WeakPolarHBondContact O-CG 3.5Å; L10-K14 PolarHBondContact O-N 3.03Å; L10-K14 VanDerWaalsContact O-N 3.11Å; N11-K14 PolarHBondContact O-N 2.98Å; N11-K14 VanDerWaalsContact O-N 3.17Å; I12-K14 PolarHBondContact O-N 3.3Å; K14-H17 PolarHBondContact O-N 3.45Å; K14-R18 VanDerWaalsContact O-CG 3.31Å; K14-R18 WeakPolarHBondContact O-CG 3.18Å; K14-R18 PolarHBondContact O-N 3.28Å; K14-R18 VanDerWaalsContact O-N 3.07Å
15	K	97.9	Very high	95.8	Very high	86 Å²	86	65.9 Å²	65.9	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-47.7	179.4	-163	-174	-176.1	-157.6	0	110.7	N11 I12 F13 H17 R18 T19 E65	N11-K15 WeakPolarHBondContact O-CB 3.3Å; N11-K15 PolarHBondContact O-N 3.48Å; I12-K15 PolarHBondContact O-N 2.87Å; I12-K15 VanDerWaalsContact O-N 3.15Å; F13-K15 VanDerWaalsContact C-N 3.35Å; K15-H17 PolarHBondContact O-N 3.49Å; K15-R18 PolarHBondContact O-N 3.14Å; K15-T19 WeakPolarHBondContact O-CB 3.37Å; K15-T19 PolarHBondContact O-N 3.01Å; K15-T19 PolarHBondContact O-OG1 3.26Å; K15-T19 VanDerWaalsContact O-OG1 3.07Å; K15-E65 HydrophobicContact CB-CG 4.4Å; K15-E65 HydrophobicContact CD-CG 3.9Å; K15-E65 WeakPolarHBondContact CE-OE1 3.22Å; K15-E65 WeakPolarHBondContact CE-OE2 3.38Å; K15-E65 HydrophobicContact CG-CG 3.89Å; K15-E65 IonicContact NZ-OE1 2.69Å; K15-E65 IonicContact NZ-OE2 3.84Å; K15-E65 PolarHBondContact NZ-OE2 2.96Å
16	L	97.9	Very high	96	Very high	9 Å²	9	70.6 Å²	70.6	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-54.1	-49.5	174.8	-83.3	166.4	0	0	0	112.2	I12 R18 T19 C20 I38 F42 A61 E65 I68	I12-L16 HydrophobicContact CG2-CD1 4.03Å; I12-L16 HydrophobicContact CG2-CG 4.4Å; I12-L16 WeakPolarHBondContact O-CB 3.35Å; I12-L16 PolarHBondContact O-N 3.28Å; L16-R18 PolarHBondContact O-N 3.4Å; L16-T19 PolarHBondContact O-N 2.85Å; L16-C20 PolarHBondContact O-N 2.97Å; L16-C20 PolarHBondContact O-SG 3.31Å; L16-C20 VanDerWaalsContact O-SG 3.36Å; L16-I38 HydrophobicContact CB-CD1 3.99Å; L16-I38 HydrophobicContact CB-CG1 4.48Å; L16-I38 HydrophobicContact CB-CG2 4.48Å; L16-I38 HydrophobicContact CD1-CG2 4.47Å; L16-F42 HydrophobicContact CD1-CE2 3.75Å; L16-F42 HydrophobicContact CD1-CZ 4.11Å; L16-A61 HydrophobicContact CD1-CB 4.29Å; L16-E65 HydrophobicContact CD2-CB 3.62Å; L16-E65 HydrophobicContact CD2-CG 4.22Å; L16-E65 HydrophobicContact CG-CB 4.02Å; L16-E65 HydrophobicContact CG-CG 4.39Å; L16-I68 HydrophobicContact CD2-CD1 4.45Å
17	H	98.1	Very high	96.2	Very high	19 Å²	19	64.6 Å²	64.6	9%	0.088	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-45.4	177.7	-78.3	-66.3	0	0	0	112.2	F13 K14 K15 T19 C20 E21 N39	F13-H17 AromaticContact CD1-CD2 3.96Å; F13-H17 AromaticContact CE1-CD2 3.62Å; F13-H17 AromaticContact CE1-NE2 3.67Å; F13-H17 AromaticContact CE2-CD2 3.97Å; F13-H17 AromaticContact CE2-NE2 3.39Å; F13-H17 WeakPolarHBondContact CE2-NE2 3.38Å; F13-H17 AromaticContact CZ-CD2 3.65Å; F13-H17 AromaticContact CZ-NE2 3.17Å; F13-H17 WeakPolarHBondContact CZ-NE2 3.41Å; F13-H17 PolarHBondContact O-CD2 3.35Å; F13-H17 PolarHBondContact O-N 2.88Å; K14-H17 PolarHBondContact O-N 3.45Å; K15-H17 PolarHBondContact O-N 3.49Å; H17-T19 VanDerWaalsContact C-N 3.35Å; H17-T19 PolarHBondContact O-N 3.37Å; H17-C20 PolarHBondContact O-N 2.85Å; H17-E21 WeakPolarHBondContact O-CG 3.15Å; H17-E21 PolarHBondContact O-N 2.69Å; H17-N39 PolarHBondContact NE2-OD1 3.48Å
18	R	97.9	Very high	96.3	Very high	159 Å²	159	67.2 Å²	67.2	60%	0.6	32%	0.321	S	S	*	.	H	α-helix	trans	-63.3	-40.6	177.4	-70.7	169.8	178.9	-177.2	-3.5	112.3	K14 K15 L16 E21 N22	K14-R18 VanDerWaalsContact O-CG 3.31Å; K14-R18 WeakPolarHBondContact O-CG 3.18Å; K14-R18 PolarHBondContact O-N 3.28Å; K14-R18 VanDerWaalsContact O-N 3.07Å; K15-R18 PolarHBondContact O-N 3.14Å; L16-R18 PolarHBondContact O-N 3.4Å; R18-E21 PolarHBondContact O-N 2.98Å; R18-N22 VanDerWaalsContact O-CG 3.3Å; R18-N22 PolarHBondContact O-N 3.12Å; R18-N22 PolarHBondContact O-ND2 3.39Å
19	T	97.4	Very high	96.3	Very high	9 Å²	9	70.4 Å²	70.4	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-45.4	177.1	-64.9	0	0	0	0	110.2	K15 L16 H17 E21 N22 V23 E65 I68 R69	K15-T19 WeakPolarHBondContact O-CB 3.37Å; K15-T19 PolarHBondContact O-N 3.01Å; K15-T19 PolarHBondContact O-OG1 3.26Å; K15-T19 VanDerWaalsContact O-OG1 3.07Å; L16-T19 PolarHBondContact O-N 2.85Å; H17-T19 VanDerWaalsContact C-N 3.35Å; H17-T19 PolarHBondContact O-N 3.37Å; T19-E21 PolarHBondContact O-N 3Å; T19-N22 PolarHBondContact O-N 2.89Å; T19-V23 HydrophobicContact CG2-CG2 4.07Å; T19-V23 VanDerWaalsContact O-CB 3.27Å; T19-V23 WeakPolarHBondContact O-CB 3.18Å; T19-V23 WeakPolarHBondContact O-CG2 3.27Å; T19-V23 PolarHBondContact O-N 3.17Å; T19-E65 HydrophobicContact CG2-CG 4.45Å; T19-E65 PolarHBondContact OG1-OE1 3.15Å; T19-I68 HydrophobicContact CG2-CB 4.25Å; T19-I68 HydrophobicContact CG2-CG2 3.96Å; T19-R69 HydrophobicContact CG2-CB 3.62Å; T19-R69 HydrophobicContact CG2-CG 4.2Å
20	C	97.1	Very high	96.3	Very high	6 Å²	6	71.4 Å²	71.4	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-44.6	173.7	-68.6	0	0	0	0	112.3	L16 H17 N22 V23 F24 L31 A34	L16-C20 PolarHBondContact O-N 2.97Å; L16-C20 PolarHBondContact O-SG 3.31Å; L16-C20 VanDerWaalsContact O-SG 3.36Å; H17-C20 PolarHBondContact O-N 2.85Å; C20-N22 VanDerWaalsContact C-N 3.28Å; C20-N22 PolarHBondContact O-N 3.43Å; C20-V23 PolarHBondContact O-N 3.49Å; C20-F24 HydrophobicContact CB-CD2 4.04Å; C20-F24 HydrophobicContact CB-CE2 4.34Å; C20-F24 WeakPolarHBondContact O-CD2 3.29Å; C20-F24 PolarHBondContact O-N 2.97Å; C20-L31 HydrophobicContact CB-CD2 4.34Å; C20-L31 WeakPolarHBondContact O-CD2 3.32Å; C20-A34 HydrophobicContact CB-CB 4.27Å
21	E	96	Very high	96.4	Very high	92 Å²	92	69.2 Å²	69.2	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-57.7	-39.1	176.6	-75.6	171.8	168.2	0	0	112.7	H17 R18 T19 L31 R35	H17-E21 WeakPolarHBondContact O-CG 3.15Å; H17-E21 PolarHBondContact O-N 2.69Å; R18-E21 PolarHBondContact O-N 2.98Å; T19-E21 PolarHBondContact O-N 3Å; E21-L31 HydrophobicContact CG-CD2 4.39Å; E21-R35 IonicContact OE1-NH2 3.63Å
22	N	95	Very high	96.4	Very high	106 Å²	106	69.5 Å²	69.5	57%	0.567	33%	0.329	S	S	*	.	H	α-helix	trans	-77.2	-35.1	178	-70	-18.7	0	0	0	113.1	R18 T19 C20	R18-N22 VanDerWaalsContact O-CG 3.3Å; R18-N22 PolarHBondContact O-N 3.12Å; R18-N22 PolarHBondContact O-ND2 3.39Å; T19-N22 PolarHBondContact O-N 2.89Å; C20-N22 VanDerWaalsContact C-N 3.28Å; C20-N22 PolarHBondContact O-N 3.43Å
23	V	95.6	Very high	96.4	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-81.5	-39.6	-174.3	170.5	0	0	0	0	111.9	T19 C20 I68 V72 Q74	T19-V23 HydrophobicContact CG2-CG2 4.07Å; T19-V23 VanDerWaalsContact O-CB 3.27Å; T19-V23 WeakPolarHBondContact O-CB 3.18Å; T19-V23 WeakPolarHBondContact O-CG2 3.27Å; T19-V23 PolarHBondContact O-N 3.17Å; C20-V23 PolarHBondContact O-N 3.49Å; V23-I68 HydrophobicContact CB-CG2 4.31Å; V23-I68 HydrophobicContact CG1-CG2 4.13Å; V23-I68 HydrophobicContact CG2-CG2 4.1Å; V23-V72 HydrophobicContact CG1-CB 3.72Å; V23-V72 HydrophobicContact CG1-CG1 3.51Å; V23-Q74 WeakPolarHBondContact O-CB 3.26Å; V23-Q74 PolarHBondContact O-OE1 2.97Å
24	F	95.5	Very high	96.4	Very high	37 Å²	37	71.7 Å²	71.7	16%	0.162	35%	0.346	C	S	.	.	S	Bend	trans	-107.8	42	-178	-52.2	-63.7	0	0	0	110.7	C20 D26 D27 T30 L31 I68 V72	C20-F24 HydrophobicContact CB-CD2 4.04Å; C20-F24 HydrophobicContact CB-CE2 4.34Å; C20-F24 WeakPolarHBondContact O-CD2 3.29Å; C20-F24 PolarHBondContact O-N 2.97Å; F24-D26 PolarHBondContact O-N 3.27Å; F24-D27 HydrophobicContact CB-CB 4.41Å; F24-D27 PolarHBondContact O-N 2.92Å; F24-D27 VanDerWaalsContact O-N 3.13Å; F24-T30 HydrophobicContact CB-CG2 4.11Å; F24-T30 HydrophobicContact CD1-CG2 3.46Å; F24-T30 VanDerWaalsContact CD1-CG2 3.46Å; F24-T30 HydrophobicContact CD2-CG2 3.92Å; F24-T30 HydrophobicContact CE1-CG2 3.73Å; F24-T30 HydrophobicContact CE2-CG2 4.17Å; F24-T30 HydrophobicContact CG-CG2 3.56Å; F24-T30 HydrophobicContact CZ-CG2 4.08Å; F24-L31 HydrophobicContact CB-CD2 3.83Å; F24-L31 HydrophobicContact CB-CG 3.99Å; F24-L31 HydrophobicContact CD2-CD2 4.49Å; F24-L31 WeakPolarHBondContact O-CD1 3.27Å; F24-L31 WeakPolarHBondContact O-CG 3.39Å; F24-I68 HydrophobicContact CE2-CG2 4.3Å; F24-I68 HydrophobicContact CZ-CG2 4.45Å; F24-V72 HydrophobicContact CE1-CG1 3.81Å; F24-V72 HydrophobicContact CZ-CG1 4.22Å
25	K	92.2	Very high	96.4	Very high	121 Å²	121	71.7 Å²	71.7	53%	0.526	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	136.7	-175.4	-168.3	-169.9	169.9	-169.2	0	109.7	D27 Q74	K25-D27 PolarHBondContact O-N 3.49Å; K25-Q74 PolarHBondContact O-NE2 2.99Å; K25-Q74 PolarHBondContact O-OE1 3.37Å
26	D	92.4	Very high	96.4	Very high	124 Å²	124	73.8 Å²	73.8	66%	0.663	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	3.3	179.7	-53.6	-46.8	0	0	0	115.1	F24	F24-D26 PolarHBondContact O-N 3.27Å
27	D	94.5	Very high	96.4	Very high	53 Å²	53	79.3 Å²	79.3	28%	0.283	38%	0.377	S	S	.	.			trans	-98.8	84	171.7	-176.2	-12.9	0	0	0	110.1	F24 K25 E29 T30 L31	F24-D27 HydrophobicContact CB-CB 4.41Å; F24-D27 PolarHBondContact O-N 2.92Å; F24-D27 VanDerWaalsContact O-N 3.13Å; K25-D27 PolarHBondContact O-N 3.49Å; D27-E29 VanDerWaalsContact C-N 3.3Å; D27-E29 PolarHBondContact O-N 3.15Å; D27-E29 PolarHBondContact OD1-N 2.83Å; D27-T30 PolarHBondContact O-N 3.07Å; D27-T30 WeakPolarHBondContact OD1-CB 3.3Å; D27-T30 PolarHBondContact OD1-N 3.11Å; D27-T30 PolarHBondContact OD1-OG1 2.79Å; D27-T30 WeakPolarHBondContact OD2-CB 3.29Å; D27-T30 PolarHBondContact OD2-OG1 3.17Å; D27-L31 WeakPolarHBondContact O-CB 3.46Å; D27-L31 WeakPolarHBondContact O-CG 3.24Å; D27-L31 PolarHBondContact O-N 2.95Å
28	I	95.9	Very high	96.4	Very high	117 Å²	117	79.3 Å²	79.3	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-61.2	-39.4	-174.6	-60.7	174.8	0	0	0	111.5	L31 Q32	I28-L31 PolarHBondContact O-N 3.17Å; I28-Q32 HydrophobicContact CG2-CG 4.39Å; I28-Q32 WeakPolarHBondContact O-CB 3.31Å; I28-Q32 VanDerWaalsContact O-CG 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.39Å; I28-Q32 PolarHBondContact O-N 3.01Å
29	E	96.5	Very high	96.4	Very high	140 Å²	140	73.3 Å²	73.3	65%	0.654	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-49.2	-177.8	-175.7	178.8	172	0	0	110.7	D27 L31 Q32 N33	D27-E29 VanDerWaalsContact C-N 3.3Å; D27-E29 PolarHBondContact O-N 3.15Å; D27-E29 PolarHBondContact OD1-N 2.83Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 3.09Å; E29-Q32 PolarHBondContact O-N 3.01Å; E29-N33 PolarHBondContact O-N 3.42Å; E29-N33 PolarHBondContact O-ND2 2.89Å
30	T	95.8	Very high	96.4	Very high	45 Å²	45	76.1 Å²	76.1	28%	0.276	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-39.2	177.5	-60.2	0	0	0	0	111.5	F24 D27 Q32 N33 A34	F24-T30 HydrophobicContact CB-CG2 4.11Å; F24-T30 HydrophobicContact CD1-CG2 3.46Å; F24-T30 VanDerWaalsContact CD1-CG2 3.46Å; F24-T30 HydrophobicContact CD2-CG2 3.92Å; F24-T30 HydrophobicContact CE1-CG2 3.73Å; F24-T30 HydrophobicContact CE2-CG2 4.17Å; F24-T30 HydrophobicContact CG-CG2 3.56Å; F24-T30 HydrophobicContact CZ-CG2 4.08Å; D27-T30 PolarHBondContact O-N 3.07Å; D27-T30 WeakPolarHBondContact OD1-CB 3.3Å; D27-T30 PolarHBondContact OD1-N 3.11Å; D27-T30 PolarHBondContact OD1-OG1 2.79Å; D27-T30 WeakPolarHBondContact OD2-CB 3.29Å; D27-T30 PolarHBondContact OD2-OG1 3.17Å; T30-Q32 PolarHBondContact O-N 3.32Å; T30-N33 PolarHBondContact O-N 2.68Å; T30-A34 VanDerWaalsContact O-CB 3.29Å; T30-A34 WeakPolarHBondContact O-CB 3.35Å; T30-A34 PolarHBondContact O-N 3.41Å
31	L	97.2	Very high	96.4	Very high	40 Å²	40	79.7 Å²	79.7	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-40.4	175.3	-73.9	172.6	0	0	0	112.7	C20 E21 F24 D27 I28 E29 R35	C20-L31 HydrophobicContact CB-CD2 4.34Å; C20-L31 WeakPolarHBondContact O-CD2 3.32Å; E21-L31 HydrophobicContact CG-CD2 4.39Å; F24-L31 HydrophobicContact CB-CD2 3.83Å; F24-L31 HydrophobicContact CB-CG 3.99Å; F24-L31 HydrophobicContact CD2-CD2 4.49Å; F24-L31 WeakPolarHBondContact O-CD1 3.27Å; F24-L31 WeakPolarHBondContact O-CG 3.39Å; D27-L31 WeakPolarHBondContact O-CB 3.46Å; D27-L31 WeakPolarHBondContact O-CG 3.24Å; D27-L31 PolarHBondContact O-N 2.95Å; I28-L31 PolarHBondContact O-N 3.17Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 3.09Å; L31-R35 WeakPolarHBondContact O-CB 3.17Å; L31-R35 PolarHBondContact O-N 2.84Å
32	Q	97.8	Very high	96.5	Very high	111 Å²	111	77.8 Å²	77.8	52%	0.519	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-48.8	176.3	-76.1	175.2	0.9	0	0	111	I28 E29 T30 A34 R35 E36	I28-Q32 HydrophobicContact CG2-CG 4.39Å; I28-Q32 WeakPolarHBondContact O-CB 3.31Å; I28-Q32 VanDerWaalsContact O-CG 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.39Å; I28-Q32 PolarHBondContact O-N 3.01Å; E29-Q32 PolarHBondContact O-N 3.01Å; T30-Q32 PolarHBondContact O-N 3.32Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-A34 PolarHBondContact O-N 3.32Å; Q32-R35 WeakPolarHBondContact O-CB 3.33Å; Q32-R35 PolarHBondContact O-N 3.05Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 3.4Å
33	N	97.8	Very high	96.6	Very high	88 Å²	88	81.7 Å²	81.7	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-44.7	177.4	-72	-31.4	0	0	0	111.8	E29 T30 E36 K37	E29-N33 PolarHBondContact O-N 3.42Å; E29-N33 PolarHBondContact O-ND2 2.89Å; T30-N33 PolarHBondContact O-N 2.68Å; N33-E36 PolarHBondContact O-N 3.4Å; N33-K37 WeakPolarHBondContact O-CB 3.4Å; N33-K37 PolarHBondContact O-N 2.92Å
34	A	97.2	Very high	96.6	Very high	19 Å²	19	85.3 Å²	85.3	16%	0.157	42%	0.421	C	S	.	.	H	α-helix	trans	-61.7	-46.1	175.8	0	0	0	0	0	111.5	C20 T30 Q32 E36 K37 I38	C20-A34 HydrophobicContact CB-CB 4.27Å; T30-A34 VanDerWaalsContact O-CB 3.29Å; T30-A34 WeakPolarHBondContact O-CB 3.35Å; T30-A34 PolarHBondContact O-N 3.41Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-A34 PolarHBondContact O-N 3.32Å; A34-E36 PolarHBondContact O-N 2.91Å; A34-K37 PolarHBondContact O-N 3.01Å; A34-I38 WeakPolarHBondContact O-CD1 3.29Å; A34-I38 VanDerWaalsContact O-CG1 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.48Å; A34-I38 PolarHBondContact O-N 3.17Å
35	R	97.8	Very high	96.6	Very high	123 Å²	123	86.1 Å²	86.1	46%	0.464	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-45.7	178.8	172.4	177.3	-71.6	-97.8	-2.4	111.8	E21 L31 Q32 N39	E21-R35 IonicContact OE1-NH2 3.63Å; L31-R35 WeakPolarHBondContact O-CB 3.17Å; L31-R35 PolarHBondContact O-N 2.84Å; Q32-R35 WeakPolarHBondContact O-CB 3.33Å; Q32-R35 PolarHBondContact O-N 3.05Å; R35-N39 VanDerWaalsContact O-CB 3.29Å; R35-N39 WeakPolarHBondContact O-CB 3.26Å; R35-N39 PolarHBondContact O-N 2.95Å; R35-N39 PolarHBondContact O-ND2 3.4Å; R35-N39 VanDerWaalsContact O-ND2 3.14Å
36	E	98.2	Very high	96.6	Very high	130 Å²	130	89.5 Å²	89.5	61%	0.607	44%	0.436	S	S	*	.	H	α-helix	trans	-62.2	-46.5	177.7	-73.7	-176.2	179.3	0	0	111.4	Q32 N33 A34 N39 S40	Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 3.4Å; N33-E36 PolarHBondContact O-N 3.4Å; A34-E36 PolarHBondContact O-N 2.91Å; E36-N39 PolarHBondContact O-N 3.46Å; E36-S40 WeakPolarHBondContact O-CB 3.42Å; E36-S40 PolarHBondContact O-N 3.4Å
37	K	98	Very high	96.7	Very high	126 Å²	126	89.3 Å²	89.3	55%	0.548	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-49.7	178.6	-175.6	55.6	170.1	172.4	0	111.8	N33 A34 N39 S40 E41	N33-K37 WeakPolarHBondContact O-CB 3.4Å; N33-K37 PolarHBondContact O-N 2.92Å; A34-K37 PolarHBondContact O-N 3.01Å; K37-N39 VanDerWaalsContact C-N 3.34Å; K37-N39 PolarHBondContact O-N 3.48Å; K37-S40 PolarHBondContact O-N 3.46Å; K37-E41 HydrophobicContact CD-CG 4.26Å; K37-E41 WeakPolarHBondContact CE-OE1 3.44Å; K37-E41 IonicContact NZ-OE1 3.24Å; K37-E41 PolarHBondContact NZ-OE1 3.27Å; K37-E41 WeakPolarHBondContact O-CG 3.42Å; K37-E41 PolarHBondContact O-N 3.07Å
38	I	98	Very high	96.6	Very high	18 Å²	18	89.1 Å²	89.1	9%	0.092	43%	0.433	C	S	.	.	H	α-helix	trans	-57.4	-49.1	176.9	-67.2	161.1	0	0	0	110.1	F13 L16 A34 S40 E41 F42	F13-I38 HydrophobicContact CD2-CG2 3.88Å; F13-I38 HydrophobicContact CE2-CG2 3.86Å; L16-I38 HydrophobicContact CB-CD1 3.99Å; L16-I38 HydrophobicContact CB-CG1 4.48Å; L16-I38 HydrophobicContact CB-CG2 4.48Å; L16-I38 HydrophobicContact CD1-CG2 4.47Å; A34-I38 WeakPolarHBondContact O-CD1 3.29Å; A34-I38 VanDerWaalsContact O-CG1 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.48Å; A34-I38 PolarHBondContact O-N 3.17Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.36Å; I38-E41 PolarHBondContact O-N 2.95Å; I38-F42 HydrophobicContact CG2-CD2 4.02Å; I38-F42 HydrophobicContact CG2-CE2 4.15Å; I38-F42 VanDerWaalsContact O-CD2 3.3Å; I38-F42 WeakPolarHBondContact O-CD2 3.41Å; I38-F42 PolarHBondContact O-N 3.35Å; I38-F42 VanDerWaalsContact O-N 3.12Å
39	N	98.1	Very high	96.5	Very high	33 Å²	33	89.4 Å²	89.4	18%	0.176	44%	0.44	C	S	.	.	H	α-helix	trans	-62.7	-40.5	-178.8	-71.6	-21.8	0	0	0	112.3	F13 H17 R35 E36 K37 R43	F13-N39 VanDerWaalsContact CE2-OD1 3.26Å; F13-N39 WeakPolarHBondContact CE2-OD1 3.49Å; F13-N39 WeakPolarHBondContact CZ-OD1 3.46Å; H17-N39 PolarHBondContact NE2-OD1 3.48Å; R35-N39 VanDerWaalsContact O-CB 3.29Å; R35-N39 WeakPolarHBondContact O-CB 3.26Å; R35-N39 PolarHBondContact O-N 2.95Å; R35-N39 PolarHBondContact O-ND2 3.4Å; R35-N39 VanDerWaalsContact O-ND2 3.14Å; E36-N39 PolarHBondContact O-N 3.46Å; K37-N39 VanDerWaalsContact C-N 3.34Å; K37-N39 PolarHBondContact O-N 3.48Å; N39-R43 VanDerWaalsContact O-CB 3.23Å; N39-R43 WeakPolarHBondContact O-CB 3.25Å; N39-R43 WeakPolarHBondContact O-CD 3.47Å; N39-R43 WeakPolarHBondContact O-CG 3.44Å; N39-R43 PolarHBondContact O-N 3.33Å
40	S	98.1	Very high	96.4	Very high	69 Å²	69	86.4 Å²	86.4	48%	0.483	43%	0.429	S	S	.	.	H	α-helix	trans	-62.4	-49.2	178.4	-175.1	0	0	0	0	111.4	E36 K37 I38 F42 R43 A44	E36-S40 WeakPolarHBondContact O-CB 3.42Å; E36-S40 PolarHBondContact O-N 3.4Å; K37-S40 PolarHBondContact O-N 3.46Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.36Å; S40-F42 PolarHBondContact O-N 2.91Å; S40-R43 PolarHBondContact O-N 3.28Å; S40-A44 WeakPolarHBondContact O-CB 3.2Å; S40-A44 PolarHBondContact O-N 3.45Å
41	E	97.2	Very high	96.2	Very high	81 Å²	81	86.1 Å²	86.1	38%	0.379	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-44.5	-179.1	-67.5	-59.5	146.5	0	0	112.2	K37 I38 R43 A44 N45	K37-E41 HydrophobicContact CD-CG 4.26Å; K37-E41 WeakPolarHBondContact CE-OE1 3.44Å; K37-E41 IonicContact NZ-OE1 3.24Å; K37-E41 PolarHBondContact NZ-OE1 3.27Å; K37-E41 WeakPolarHBondContact O-CG 3.42Å; K37-E41 PolarHBondContact O-N 3.07Å; I38-E41 PolarHBondContact O-N 2.95Å; E41-R43 PolarHBondContact O-N 3.3Å; E41-A44 PolarHBondContact O-N 3.24Å; E41-N45 PolarHBondContact O-N 3.47Å; E41-N45 PolarHBondContact O-ND2 3.11Å
42	F	97.4	Very high	96.1	Very high	52 Å²	52	91.4 Å²	91.4	23%	0.228	45%	0.454	C	S	.	.	H	α-helix	trans	-68.9	-33.4	177.6	-83.9	-100.1	0	0	0	112.5	I12 F13 L16 I38 S40 R46 A61	I12-F42 HydrophobicContact CG2-CZ 4.32Å; F13-F42 HydrophobicContact CB-CD1 4.18Å; F13-F42 HydrophobicContact CB-CE1 3.8Å; F13-F42 HydrophobicContact CB-CZ 4.01Å; F13-F42 HydrophobicContact CD2-CB 4.14Å; F13-F42 AromaticContact CD2-CD1 3.93Å; F13-F42 HydrophobicContact CD2-CD1 3.93Å; F13-F42 AromaticContact CD2-CD2 3.84Å; F13-F42 HydrophobicContact CD2-CD2 3.84Å; F13-F42 HydrophobicContact CD2-CE1 4.27Å; F13-F42 HydrophobicContact CD2-CE2 4.17Å; F13-F42 AromaticContact CD2-CG 3.69Å; F13-F42 HydrophobicContact CD2-CG 3.69Å; F13-F42 HydrophobicContact CD2-CZ 4.37Å; F13-F42 HydrophobicContact CE2-CB 4.37Å; F13-F42 HydrophobicContact CE2-CG 4.36Å; F13-F42 HydrophobicContact CG-CD1 4.48Å; L16-F42 HydrophobicContact CD1-CE2 3.75Å; L16-F42 HydrophobicContact CD1-CZ 4.11Å; I38-F42 HydrophobicContact CG2-CD2 4.02Å; I38-F42 HydrophobicContact CG2-CE2 4.15Å; I38-F42 VanDerWaalsContact O-CD2 3.3Å; I38-F42 WeakPolarHBondContact O-CD2 3.41Å; I38-F42 PolarHBondContact O-N 3.35Å; I38-F42 VanDerWaalsContact O-N 3.12Å; S40-F42 PolarHBondContact O-N 2.91Å; F42-R46 PolarHBondContact O-N 2.84Å; F42-A61 HydrophobicContact CE2-CB 4.45Å; F42-A61 HydrophobicContact CZ-CB 4.14Å
43	R	96.7	Very high	96	Very high	187 Å²	187	90.3 Å²	90.3	71%	0.706	45%	0.448	S	S	*	.	H	α-helix	trans	-69.9	-41.6	175.2	-76.9	172.2	-177.2	176.1	1.5	111.9	N39 S40 E41 N45 R46	N39-R43 VanDerWaalsContact O-CB 3.23Å; N39-R43 WeakPolarHBondContact O-CB 3.25Å; N39-R43 WeakPolarHBondContact O-CD 3.47Å; N39-R43 WeakPolarHBondContact O-CG 3.44Å; N39-R43 PolarHBondContact O-N 3.33Å; S40-R43 PolarHBondContact O-N 3.28Å; E41-R43 PolarHBondContact O-N 3.3Å; R43-N45 PolarHBondContact O-N 2.94Å; R43-R46 VanDerWaalsContact O-CB 3.3Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 2.98Å
44	A	96.8	Very high	95.9	Very high	77 Å²	77	87.5 Å²	87.5	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-59.3	-34.7	178.5	0	0	0	0	0	112.1	S40 E41	S40-A44 WeakPolarHBondContact O-CB 3.2Å; S40-A44 PolarHBondContact O-N 3.45Å; E41-A44 PolarHBondContact O-N 3.24Å
45	N	95.1	Very high	95.8	Very high	54 Å²	54	90 Å²	90	29%	0.289	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.9	-178.7	-62.8	-74.8	0	0	0	114.1	E41 R43 N47 E48 L57	E41-N45 PolarHBondContact O-N 3.47Å; E41-N45 PolarHBondContact O-ND2 3.11Å; R43-N45 PolarHBondContact O-N 2.94Å; N45-N47 VanDerWaalsContact C-N 3.25Å; N45-N47 PolarHBondContact O-N 3.34Å; N45-E48 WeakPolarHBondContact O-CB 3.37Å; N45-E48 PolarHBondContact O-N 3.19Å; N45-L57 HydrophobicContact CB-CD1 3.86Å; N45-L57 WeakPolarHBondContact OD1-CD1 3.48Å
46	R	92.6	Very high	95.7	Very high	192 Å²	192	90.6 Å²	90.6	73%	0.725	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.5	-174.5	171.7	-179.3	174.6	-96.2	8.9	114	F42 R43	F42-R46 PolarHBondContact O-N 2.84Å; R43-R46 VanDerWaalsContact O-CB 3.3Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 2.98Å
47	N	93.5	Very high	95.6	Very high	121 Å²	121	86.9 Å²	86.9	65%	0.647	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	11	-173.3	-57.5	-27.4	0	0	0	112.3	N45 T49	N45-N47 VanDerWaalsContact C-N 3.25Å; N45-N47 PolarHBondContact O-N 3.34Å; N47-T49 PolarHBondContact O-N 3.45Å
48	E	93.9	Very high	95.6	Very high	49 Å²	49	81.3 Å²	81.3	23%	0.229	41%	0.411	C	S	.	.			trans	-62.1	135.4	174.7	-173.3	52	-103.2	0	0	109.9	N45 D50 K53 I54	N45-E48 WeakPolarHBondContact O-CB 3.37Å; N45-E48 PolarHBondContact O-N 3.19Å; E48-D50 WeakPolarHBondContact OE1-CB 3.34Å; E48-D50 PolarHBondContact OE1-N 3.32Å; E48-K53 HydrophobicContact CG-CB 4.34Å; E48-K53 HydrophobicContact CG-CD 4.23Å; E48-K53 HydrophobicContact CG-CG 4.22Å; E48-K53 VanDerWaalsContact OE2-CD 3.27Å; E48-K53 WeakPolarHBondContact OE2-CD 3.18Å; E48-K53 WeakPolarHBondContact OE2-CE 3.4Å; E48-K53 IonicContact OE2-NZ 2.69Å; E48-K53 PolarHBondContact OE2-NZ 3.39Å; E48-I54 HydrophobicContact CB-CG1 4.07Å; E48-I54 HydrophobicContact CG-CG1 3.75Å
49	T	92.5	Very high	95.5	Very high	122 Å²	122	83 Å²	83	75%	0.748	42%	0.422	S	S	*	.			trans	-117.7	-18.5	-176.1	52.9	0	0	0	0	112.7	N47 A51	N47-T49 PolarHBondContact O-N 3.45Å; T49-A51 PolarHBondContact O-N 2.92Å
50	D	94.2	Very high	95.5	Very high	78 Å²	78	88 Å²	88	42%	0.417	44%	0.443	S	S	.	.			trans	-72.7	117.2	175.8	-176.5	-18.9	0	0	0	110.3	E48 E52 K53 I54	E48-D50 WeakPolarHBondContact OE1-CB 3.34Å; E48-D50 PolarHBondContact OE1-N 3.32Å; D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 PolarHBondContact O-N 2.83Å; D50-E52 PolarHBondContact OD1-N 3.24Å; D50-K53 HydrophobicContact CB-CB 3.95Å; D50-K53 PolarHBondContact O-N 3.07Å; D50-K53 PolarHBondContact OD1-N 3.44Å; D50-I54 WeakPolarHBondContact O-CB 3.44Å; D50-I54 WeakPolarHBondContact O-CD1 3.42Å; D50-I54 WeakPolarHBondContact O-CG1 3.37Å; D50-I54 PolarHBondContact O-N 2.7Å
51	A	93.1	Very high	95.5	Very high	38 Å²	38	85.4 Å²	85.4	31%	0.314	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-33.1	-177.4	0	0	0	0	0	113.3	Q5 T49 N55	Q5-A51 PolarHBondContact NE2-O 3.46Å; T49-A51 PolarHBondContact O-N 2.92Å; A51-N55 PolarHBondContact O-N 3.24Å; A51-N55 VanDerWaalsContact O-N 3.17Å
52	E	94.4	Very high	95.5	Very high	151 Å²	151	84.4 Å²	84.4	71%	0.706	42%	0.421	S	S	*	.	H	α-helix	trans	-71.5	-49	179.3	-65.6	-171.8	166.5	0	0	109.8	D50 I54 N55 E56	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 PolarHBondContact O-N 2.83Å; D50-E52 PolarHBondContact OD1-N 3.24Å; E52-I54 VanDerWaalsContact C-N 3.35Å; E52-I54 PolarHBondContact O-N 3.01Å; E52-N55 WeakPolarHBondContact O-CA 3.29Å; E52-N55 WeakPolarHBondContact O-CB 3.22Å; E52-N55 PolarHBondContact O-N 3.27Å; E52-E56 PolarHBondContact O-N 3.46Å
53	K	95.2	Very high	95.5	Very high	89 Å²	89	86.4 Å²	86.4	39%	0.387	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-39.6	176.9	-172.6	170.9	169.4	-157.9	0	112.9	E48 D50 N55 E56 L57	E48-K53 HydrophobicContact CG-CB 4.34Å; E48-K53 HydrophobicContact CG-CD 4.23Å; E48-K53 HydrophobicContact CG-CG 4.22Å; E48-K53 VanDerWaalsContact OE2-CD 3.27Å; E48-K53 WeakPolarHBondContact OE2-CD 3.18Å; E48-K53 WeakPolarHBondContact OE2-CE 3.4Å; E48-K53 IonicContact OE2-NZ 2.69Å; E48-K53 PolarHBondContact OE2-NZ 3.39Å; D50-K53 HydrophobicContact CB-CB 3.95Å; D50-K53 PolarHBondContact O-N 3.07Å; D50-K53 PolarHBondContact OD1-N 3.44Å; K53-N55 VanDerWaalsContact C-N 3.29Å; K53-N55 PolarHBondContact O-N 3.36Å; K53-E56 PolarHBondContact O-N 2.95Å; K53-L57 HydrophobicContact CG-CD1 4.28Å; K53-L57 VanDerWaalsContact O-CG 3.29Å; K53-L57 WeakPolarHBondContact O-CG 3.39Å; K53-L57 PolarHBondContact O-N 3.46Å
54	I	95.5	Very high	95.6	Very high	28 Å²	28	80.1 Å²	80.1	14%	0.144	42%	0.418	C	S	.	.	H	α-helix	trans	-57.5	-46.7	171.9	-69.5	163.2	0	0	0	109.7	Q5 E48 D50 E52 E56 L57 L58	Q5-I54 HydrophobicContact CB-CG2 3.94Å; Q5-I54 HydrophobicContact CG-CG2 4.2Å; E48-I54 HydrophobicContact CB-CG1 4.07Å; E48-I54 HydrophobicContact CG-CG1 3.75Å; D50-I54 WeakPolarHBondContact O-CB 3.44Å; D50-I54 WeakPolarHBondContact O-CD1 3.42Å; D50-I54 WeakPolarHBondContact O-CG1 3.37Å; D50-I54 PolarHBondContact O-N 2.7Å; E52-I54 VanDerWaalsContact C-N 3.35Å; E52-I54 PolarHBondContact O-N 3.01Å; I54-E56 PolarHBondContact O-N 2.97Å; I54-L57 PolarHBondContact O-N 3.27Å; I54-L58 HydrophobicContact CG2-CD1 4.06Å; I54-L58 HydrophobicContact CG2-CG 4.28Å; I54-L58 VanDerWaalsContact O-CG 3.27Å; I54-L58 WeakPolarHBondContact O-CG 3.46Å; I54-L58 PolarHBondContact O-N 3.46Å
55	N	95.1	Very high	95.6	Very high	72 Å²	72	76.5 Å²	76.5	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-44.2	-179.1	-175.6	60.4	0	0	0	112	R8 A51 E52 K53 L57 L58 V59	R8-N55 PolarHBondContact NH1-OD1 3.43Å; A51-N55 PolarHBondContact O-N 3.24Å; A51-N55 VanDerWaalsContact O-N 3.17Å; E52-N55 WeakPolarHBondContact O-CA 3.29Å; E52-N55 WeakPolarHBondContact O-CB 3.22Å; E52-N55 PolarHBondContact O-N 3.27Å; K53-N55 VanDerWaalsContact C-N 3.29Å; K53-N55 PolarHBondContact O-N 3.36Å; N55-L57 PolarHBondContact O-N 3.13Å; N55-L58 PolarHBondContact O-N 3.24Å; N55-V59 WeakPolarHBondContact O-CG2 3.27Å; N55-V59 PolarHBondContact O-N 3.35Å
56	E	96.4	Very high	95.7	Very high	135 Å²	135	77.4 Å²	77.4	63%	0.631	39%	0.392	S	S	*	.	H	α-helix	trans	-58.8	-46.1	175.9	-69.2	179.5	172.7	0	0	112.3	E52 K53 I54 L58 V59 K60	E52-E56 PolarHBondContact O-N 3.46Å; K53-E56 PolarHBondContact O-N 2.95Å; I54-E56 PolarHBondContact O-N 2.97Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 2.87Å; E56-V59 PolarHBondContact O-N 3.45Å; E56-K60 WeakPolarHBondContact O-CB 3.48Å; E56-K60 PolarHBondContact O-N 2.96Å
57	L	96.9	Very high	95.9	Very high	52 Å²	52	73 Å²	73	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-38.9	177.5	-71.4	168.5	0	0	0	112.1	N45 K53 I54 N55 A61	N45-L57 HydrophobicContact CB-CD1 3.86Å; N45-L57 WeakPolarHBondContact OD1-CD1 3.48Å; K53-L57 HydrophobicContact CG-CD1 4.28Å; K53-L57 VanDerWaalsContact O-CG 3.29Å; K53-L57 WeakPolarHBondContact O-CG 3.39Å; K53-L57 PolarHBondContact O-N 3.46Å; I54-L57 PolarHBondContact O-N 3.27Å; N55-L57 PolarHBondContact O-N 3.13Å; L57-A61 WeakPolarHBondContact O-CB 3.24Å; L57-A61 PolarHBondContact O-N 3.39Å
58	L	96.9	Very high	96	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-70.3	-40.4	177.8	-66.9	-173.7	0	0	0	112.5	R8 A9 I12 I54 N55 E56 A61 E62	R8-L58 HydrophobicContact CB-CD1 4.1Å; R8-L58 HydrophobicContact CG-CD1 4.04Å; A9-L58 HydrophobicContact CB-CD1 4.29Å; A9-L58 HydrophobicContact CB-CD2 3.66Å; I12-L58 HydrophobicContact CD1-CB 3.79Å; I12-L58 HydrophobicContact CD1-CD2 3.9Å; I12-L58 HydrophobicContact CD1-CG 4.25Å; I54-L58 HydrophobicContact CG2-CD1 4.06Å; I54-L58 HydrophobicContact CG2-CG 4.28Å; I54-L58 VanDerWaalsContact O-CG 3.27Å; I54-L58 WeakPolarHBondContact O-CG 3.46Å; I54-L58 PolarHBondContact O-N 3.46Å; N55-L58 PolarHBondContact O-N 3.24Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 2.87Å; L58-A61 PolarHBondContact O-N 2.87Å; L58-E62 WeakPolarHBondContact O-CG 3.33Å; L58-E62 PolarHBondContact O-N 3.41Å
59	V	97.1	Very high	96.1	Very high	53 Å²	53	69.9 Å²	69.9	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-47.4	173.5	170.5	0	0	0	0	110	N55 E56 A61 E62 D63	N55-V59 WeakPolarHBondContact O-CG2 3.27Å; N55-V59 PolarHBondContact O-N 3.35Å; E56-V59 PolarHBondContact O-N 3.45Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 3.46Å; V59-E62 WeakPolarHBondContact O-CB 3.06Å; V59-E62 PolarHBondContact O-N 3Å; V59-E62 VanDerWaalsContact O-N 3.11Å; V59-D63 PolarHBondContact O-N 2.87Å
60	K	97.5	Very high	96.2	Very high	140 Å²	140	65.2 Å²	65.2	61%	0.609	33%	0.333	S	S	*	.	H	α-helix	trans	-57.5	-42	176	-176	179.5	179.5	-178.9	0	112.4	E56 D63 C64	E56-K60 WeakPolarHBondContact O-CB 3.48Å; E56-K60 PolarHBondContact O-N 2.96Å; K60-D63 PolarHBondContact O-N 3.32Å; K60-C64 PolarHBondContact O-N 2.9Å; K60-C64 PolarHBondContact O-SG 3.07Å
61	A	97.9	Very high	96.3	Very high	14 Å²	14	63.7 Å²	63.7	12%	0.116	33%	0.327	C	S	.	.	H	α-helix	trans	-67.4	-36	178.1	0	0	0	0	0	112.6	I12 L16 F42 L57 L58 V59 E65	I12-A61 HydrophobicContact CG2-CB 3.68Å; L16-A61 HydrophobicContact CD1-CB 4.29Å; F42-A61 HydrophobicContact CE2-CB 4.45Å; F42-A61 HydrophobicContact CZ-CB 4.14Å; L57-A61 WeakPolarHBondContact O-CB 3.24Å; L57-A61 PolarHBondContact O-N 3.39Å; L58-A61 PolarHBondContact O-N 2.87Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 3.46Å; A61-E65 PolarHBondContact O-N 3.11Å; A61-E65 VanDerWaalsContact O-N 3.07Å
62	E	97.7	Very high	96.3	Very high	59 Å²	59	63.9 Å²	63.9	28%	0.276	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-44.5	172	-75.2	171.3	177.3	0	0	111.6	R8 I12 L58 V59 C64 E65 I66	R8-E62 IonicContact CZ-OE1 3.45Å; R8-E62 IonicContact CZ-OE2 3.66Å; R8-E62 IonicContact NE-OE1 2.84Å; R8-E62 PolarHBondContact NE-OE1 3.07Å; R8-E62 IonicContact NE-OE2 3.83Å; R8-E62 VanDerWaalsContact NH2-CD 3.27Å; R8-E62 IonicContact NH2-OE1 3.7Å; R8-E62 PolarHBondContact NH2-OE1 3.43Å; R8-E62 IonicContact NH2-OE2 3.07Å; R8-E62 PolarHBondContact NH2-OE2 2.99Å; I12-E62 HydrophobicContact CD1-CG 3.55Å; I12-E62 VanDerWaalsContact CD1-OE1 3.29Å; I12-E62 WeakPolarHBondContact CD1-OE1 3.43Å; I12-E62 HydrophobicContact CG1-CG 3.54Å; I12-E62 HydrophobicContact CG2-CG 4.17Å; L58-E62 WeakPolarHBondContact O-CG 3.33Å; L58-E62 PolarHBondContact O-N 3.41Å; V59-E62 WeakPolarHBondContact O-CB 3.06Å; V59-E62 PolarHBondContact O-N 3Å; V59-E62 VanDerWaalsContact O-N 3.11Å; E62-C64 VanDerWaalsContact C-N 3.32Å; E62-C64 PolarHBondContact O-N 3.29Å; E62-E65 WeakPolarHBondContact O-CB 3.4Å; E62-E65 PolarHBondContact O-N 2.95Å; E62-E65 VanDerWaalsContact O-N 3.11Å; E62-I66 WeakPolarHBondContact O-CG1 3.19Å; E62-I66 PolarHBondContact O-N 2.83Å
63	D	97.7	Very high	96.3	Very high	95 Å²	95	59.2 Å²	59.2	51%	0.508	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-42.6	176.9	-68.2	-22.2	0	0	0	111.3	V59 K60 E65 I66 L67	V59-D63 PolarHBondContact O-N 2.87Å; K60-D63 PolarHBondContact O-N 3.32Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 2.69Å; D63-I66 PolarHBondContact O-N 3.41Å; D63-L67 WeakPolarHBondContact O-CB 3.37Å; D63-L67 PolarHBondContact O-N 2.88Å
64	C	97.5	Very high	96.1	Very high	54 Å²	54	56.1 Å²	56.1	37%	0.365	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-41.7	173.6	-71	0	0	0	0	112.2	K60 E62 L67 I68	K60-C64 PolarHBondContact O-N 2.9Å; K60-C64 PolarHBondContact O-SG 3.07Å; E62-C64 VanDerWaalsContact C-N 3.32Å; E62-C64 PolarHBondContact O-N 3.29Å; C64-L67 PolarHBondContact O-N 3.49Å; C64-I68 WeakPolarHBondContact O-CD1 3.43Å; C64-I68 VanDerWaalsContact O-CG1 3.24Å; C64-I68 WeakPolarHBondContact O-CG1 3.33Å; C64-I68 PolarHBondContact O-N 2.73Å
65	E	97.6	Very high	96	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.5	-173.9	-81.5	153.1	0	0	111.4	K15 L16 T19 A61 E62 D63 I68 R69	K15-E65 HydrophobicContact CB-CG 4.4Å; K15-E65 HydrophobicContact CD-CG 3.9Å; K15-E65 WeakPolarHBondContact CE-OE1 3.22Å; K15-E65 WeakPolarHBondContact CE-OE2 3.38Å; K15-E65 HydrophobicContact CG-CG 3.89Å; K15-E65 IonicContact NZ-OE1 2.69Å; K15-E65 IonicContact NZ-OE2 3.84Å; K15-E65 PolarHBondContact NZ-OE2 2.96Å; L16-E65 HydrophobicContact CD2-CB 3.62Å; L16-E65 HydrophobicContact CD2-CG 4.22Å; L16-E65 HydrophobicContact CG-CB 4.02Å; L16-E65 HydrophobicContact CG-CG 4.39Å; T19-E65 HydrophobicContact CG2-CG 4.45Å; T19-E65 PolarHBondContact OG1-OE1 3.15Å; A61-E65 PolarHBondContact O-N 3.11Å; A61-E65 VanDerWaalsContact O-N 3.07Å; E62-E65 WeakPolarHBondContact O-CB 3.4Å; E62-E65 PolarHBondContact O-N 2.95Å; E62-E65 VanDerWaalsContact O-N 3.11Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 2.69Å; E65-I68 PolarHBondContact O-N 3.48Å; E65-R69 VanDerWaalsContact O-CB 3.22Å; E65-R69 WeakPolarHBondContact O-CB 3.18Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 WeakPolarHBondContact OE1-CD 3.39Å; E65-R69 IonicContact OE1-NE 3.74Å; E65-R69 PolarHBondContact OE1-NE 2.64Å; E65-R69 IonicContact OE2-NE 3.26Å
66	I	96.5	Very high	95.8	Very high	72 Å²	72	58.6 Å²	58.6	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-47.8	178.4	-66.6	166.6	0	0	0	109.7	E62 D63 I68 R69 T70	E62-I66 WeakPolarHBondContact O-CG1 3.19Å; E62-I66 PolarHBondContact O-N 2.83Å; D63-I66 PolarHBondContact O-N 3.41Å; I66-I68 PolarHBondContact O-N 3.3Å; I66-R69 PolarHBondContact O-N 2.7Å; I66-T70 HydrophobicContact CG2-CG2 4.08Å; I66-T70 WeakPolarHBondContact O-CB 3.49Å; I66-T70 WeakPolarHBondContact O-CG2 3.39Å; I66-T70 PolarHBondContact O-N 3.13Å; I66-T70 PolarHBondContact O-OG1 3.44Å
67	L	96.4	Very high	95.7	Very high	101 Å²	101	56.6 Å²	56.6	53%	0.529	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-50.6	180	-176.6	69.6	0	0	0	111.6	D63 C64 R69 T71	D63-L67 WeakPolarHBondContact O-CB 3.37Å; D63-L67 PolarHBondContact O-N 2.88Å; C64-L67 PolarHBondContact O-N 3.49Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.93Å; L67-T71 HydrophobicContact CD1-CG2 3.8Å; L67-T71 WeakPolarHBondContact O-CB 3.39Å; L67-T71 PolarHBondContact O-N 3.43Å; L67-T71 PolarHBondContact O-OG1 3.22Å
68	I	96.6	Very high	95.6	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.195	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-45.4	179.8	-65.3	165.4	0	0	0	110	L16 T19 V23 F24 C64 E65 I66 V72	L16-I68 HydrophobicContact CD2-CD1 4.45Å; T19-I68 HydrophobicContact CG2-CB 4.25Å; T19-I68 HydrophobicContact CG2-CG2 3.96Å; V23-I68 HydrophobicContact CB-CG2 4.31Å; V23-I68 HydrophobicContact CG1-CG2 4.13Å; V23-I68 HydrophobicContact CG2-CG2 4.1Å; F24-I68 HydrophobicContact CE2-CG2 4.3Å; F24-I68 HydrophobicContact CZ-CG2 4.45Å; C64-I68 WeakPolarHBondContact O-CD1 3.43Å; C64-I68 VanDerWaalsContact O-CG1 3.24Å; C64-I68 WeakPolarHBondContact O-CG1 3.33Å; C64-I68 PolarHBondContact O-N 2.73Å; E65-I68 PolarHBondContact O-N 3.48Å; I66-I68 PolarHBondContact O-N 3.3Å; I68-V72 WeakPolarHBondContact O-CB 2.86Å; I68-V72 PolarHBondContact O-N 3.18Å
69	R	96.1	Very high	95.4	Very high	65 Å²	65	59.7 Å²	59.7	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-46.8	-177.3	-170	166.7	47.7	73.1	8.5	112.5	T19 E65 I66 L67 R90 D92	T19-R69 HydrophobicContact CG2-CB 3.62Å; T19-R69 HydrophobicContact CG2-CG 4.2Å; E65-R69 VanDerWaalsContact O-CB 3.22Å; E65-R69 WeakPolarHBondContact O-CB 3.18Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 WeakPolarHBondContact OE1-CD 3.39Å; E65-R69 IonicContact OE1-NE 3.74Å; E65-R69 PolarHBondContact OE1-NE 2.64Å; E65-R69 IonicContact OE2-NE 3.26Å; I66-R69 PolarHBondContact O-N 2.7Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.93Å; R69-R90 PolarHBondContact O-NH2 2.99Å; R69-D92 WeakPolarHBondContact CD-OD2 3.43Å; R69-D92 HydrophobicContact CG-CB 3.97Å; R69-D92 WeakPolarHBondContact CG-OD2 3.39Å
70	T	95.2	Very high	95.3	Very high	24 Å²	24	60.4 Å²	60.4	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-94.3	-20.3	-168.1	67.2	0	0	0	0	114.3	I66 D92 L93 A94	I66-T70 HydrophobicContact CG2-CG2 4.08Å; I66-T70 WeakPolarHBondContact O-CB 3.49Å; I66-T70 WeakPolarHBondContact O-CG2 3.39Å; I66-T70 PolarHBondContact O-N 3.13Å; I66-T70 PolarHBondContact O-OG1 3.44Å; T70-D92 WeakPolarHBondContact CA-O 3.36Å; T70-D92 WeakPolarHBondContact CG2-O 3.5Å; T70-L93 WeakPolarHBondContact O-CA 3.33Å; T70-L93 WeakPolarHBondContact O-CD2 3.04Å; T70-A94 PolarHBondContact O-N 2.9Å
71	T	94.5	Very high	95.2	Very high	46 Å²	46	62.4 Å²	62.4	28%	0.282	33%	0.332	S	S	.	.	H	α-helix	trans	-112.9	-23.7	-172.8	71.3	0	0	0	0	114.6	L67 I73	L67-T71 HydrophobicContact CD1-CG2 3.8Å; L67-T71 WeakPolarHBondContact O-CB 3.39Å; L67-T71 PolarHBondContact O-N 3.43Å; L67-T71 PolarHBondContact O-OG1 3.22Å; T71-I73 PolarHBondContact O-N 3.39Å
72	V	94.7	Very high	95.1	Very high	43 Å²	43	68.8 Å²	68.8	26%	0.261	36%	0.357	S	S	.	.			trans	-88.3	115.1	-174.5	-179.8	0	0	0	0	110.7	V23 F24 I68 R90	V23-V72 HydrophobicContact CG1-CB 3.72Å; V23-V72 HydrophobicContact CG1-CG1 3.51Å; F24-V72 HydrophobicContact CE1-CG1 3.81Å; F24-V72 HydrophobicContact CZ-CG1 4.22Å; I68-V72 WeakPolarHBondContact O-CB 2.86Å; I68-V72 PolarHBondContact O-N 3.18Å; V72-R90 PolarHBondContact O-NH1 2.93Å; V72-R90 VanDerWaalsContact O-NH1 3.13Å; V72-R90 PolarHBondContact O-NH2 2.93Å
73	I	93	Very high	94.9	Very high	52 Å²	52	71.2 Å²	71.2	27%	0.267	37%	0.372	S	S	.	.			trans	-103.8	123.4	172.4	-58.2	174.8	0	0	0	108.6	T71 M87 L89 L93 Y95	T71-I73 PolarHBondContact O-N 3.39Å; I73-M87 HydrophobicContact CG2-CB 4.37Å; I73-L89 HydrophobicContact CD1-CD2 4.01Å; I73-L89 HydrophobicContact CG2-CD2 4.03Å; I73-L93 HydrophobicContact CD1-CD1 4.01Å; I73-L93 HydrophobicContact CD1-CD2 4.5Å; I73-L93 HydrophobicContact CG1-CD1 3.76Å; I73-L93 HydrophobicContact CG1-CD2 3.73Å; I73-L93 HydrophobicContact CG1-CG 4.41Å; I73-Y95 HydrophobicContact CD1-CD2 4Å; I73-Y95 HydrophobicContact CD1-CE2 4.39Å
74	Q	92.4	Very high	94.7	Very high	25 Å²	25	69.9 Å²	69.9	12%	0.117	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137	174.3	-171.2	-175.9	18	0	0	109.8	V23 K25 N88	V23-Q74 WeakPolarHBondContact O-CB 3.26Å; V23-Q74 PolarHBondContact O-OE1 2.97Å; K25-Q74 PolarHBondContact O-NE2 2.99Å; K25-Q74 PolarHBondContact O-OE1 3.37Å; Q74-N88 HydrophobicContact CB-CB 4.44Å; Q74-N88 PolarHBondContact O-N 2.88Å
75	M	92.6	Very high	94.5	Very high	103 Å²	103	72.9 Å²	72.9	51%	0.507	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125	173.2	-57.7	-167.5	-155.3	0	0	109.7	Y85 R86 M87	M75-Y85 HydrophobicContact CB-CD1 4.28Å; M75-R86 CarbonylContact C-O 3.56Å; M75-R86 WeakPolarHBondContact CA-O 3.37Å; M75-M87 HydrophobicContact CE-CE 3.56Å; M75-M87 HydrophobicContact CG-CG 4.1Å; M75-M87 HydrophobicContact SD-CE 3.89Å; M75-M87 HydrophobicContact SD-CG 4.28Å
76	E	91.9	Very high	94.3	Very high	49 Å²	49	79 Å²	79	23%	0.229	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.3	173.8	-68	171.4	-170.4	0	0	109.6	I78 Y85 R86 N88	E76-I78 HydrophobicContact CB-CD1 4.17Å; E76-I78 PolarHBondContact O-N 2.79Å; E76-Y85 CarbonylContact O-C 3.48Å; E76-Y85 WeakPolarHBondContact O-CA 3.32Å; E76-R86 HydrophobicContact CB-CB 4.34Å; E76-R86 PolarHBondContact N-O 3.26Å; E76-R86 PolarHBondContact O-N 3.22Å; E76-R86 IonicContact OE2-CZ 2.81Å; E76-R86 IonicContact OE2-NH1 2.72Å; E76-R86 PolarHBondContact OE2-NH1 2.81Å; E76-N88 PolarHBondContact OE1-ND2 2.6Å
77	L	92.9	Very high	94	Very high	92 Å²	92	80.8 Å²	80.8	48%	0.482	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.8	171.2	-179.9	56.4	0	0	0	109.7	A80 Y85	L77-A80 HydrophobicContact CD2-CB 4.02Å; L77-Y85 HydrophobicContact CB-CD1 4.13Å; L77-Y85 HydrophobicContact CB-CE1 3.93Å; L77-Y85 HydrophobicContact CD1-CD1 4.08Å; L77-Y85 HydrophobicContact CD1-CE1 3.67Å; L77-Y85 HydrophobicContact CD1-CE2 4.11Å; L77-Y85 HydrophobicContact CD1-CG 4.48Å; L77-Y85 HydrophobicContact CG-CE1 4.31Å
78	I	94.4	Very high	93.7	Very high	89 Å²	89	77.8 Å²	77.8	46%	0.456	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-40.4	-179.9	-53.7	-57.1	0	0	0	111.1	E76 V84 R86	E76-I78 HydrophobicContact CB-CD1 4.17Å; E76-I78 PolarHBondContact O-N 2.79Å; I78-V84 HydrophobicContact CB-CG1 4.46Å; I78-V84 PolarHBondContact N-O 3.32Å; I78-R86 HydrophobicContact CD1-CB 3.94Å; I78-R86 HydrophobicContact CG1-CB 3.83Å
79	D	94.4	Very high	93.4	Very high	38 Å²	38	81.8 Å²	81.8	20%	0.203	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	110.4	179.6	-172.5	-32.6	0	0	0	109.2	E81 K82 N83 V84	D79-E81 PolarHBondContact OD1-N 2.94Å; D79-K82 HydrophobicContact CB-CB 4.26Å; D79-K82 PolarHBondContact OD1-N 3.47Å; D79-K82 WeakPolarHBondContact OD2-CD 3.5Å; D79-K82 WeakPolarHBondContact OD2-CG 3.37Å; D79-K82 IonicContact OD2-NZ 2.7Å; D79-K82 PolarHBondContact OD2-NZ 2.9Å; D79-N83 WeakPolarHBondContact O-CA 3.33Å; D79-N83 PolarHBondContact O-N 3.26Å; D79-V84 HydrophobicContact CB-CB 4.01Å; D79-V84 HydrophobicContact CB-CG2 4.32Å; D79-V84 PolarHBondContact N-O 2.85Å; D79-V84 PolarHBondContact O-N 3.13Å
80	A	94.4	Very high	93.2	Very high	67 Å²	67	80.7 Å²	80.7	55%	0.554	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-35	-179.4	0	0	0	0	0	112.8	L77	L77-A80 HydrophobicContact CD2-CB 4.02Å
81	E	95.7	Very high	92.9	Very high	182 Å²	182	87.5 Å²	87.5	85%	0.85	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-38	-178.4	-61.5	-177.5	171.5	0	0	110.8	D79	D79-E81 PolarHBondContact OD1-N 2.94Å
82	K	95.1	Very high	92.7	Very high	148 Å²	148	87.6 Å²	87.6	64%	0.643	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-0.4	179.3	-58.2	-166.8	-162.7	90.4	0	114.1	D79 V84	D79-K82 HydrophobicContact CB-CB 4.26Å; D79-K82 PolarHBondContact OD1-N 3.47Å; D79-K82 WeakPolarHBondContact OD2-CD 3.5Å; D79-K82 WeakPolarHBondContact OD2-CG 3.37Å; D79-K82 IonicContact OD2-NZ 2.7Å; D79-K82 PolarHBondContact OD2-NZ 2.9Å; K82-V84 VanDerWaalsContact C-N 3.26Å; K82-V84 HydrophobicContact CB-CG2 3.75Å; K82-V84 PolarHBondContact O-N 3.19Å
83	N	93	Very high	92.5	Very high	110 Å²	110	86 Å²	86	59%	0.588	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	43.9	-173.2	-68.6	-64.1	0	0	0	112.9	D79 Y85	D79-N83 WeakPolarHBondContact O-CA 3.33Å; D79-N83 PolarHBondContact O-N 3.26Å; N83-Y85 HydrophobicContact CB-CE2 4.25Å; N83-Y85 WeakPolarHBondContact O-CD2 3.45Å
84	V	94.2	Very high	92.3	Very high	68 Å²	68	87 Å²	87	41%	0.412	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.5	179.1	179.4	0	0	0	0	109.5	I78 D79 K82	I78-V84 HydrophobicContact CB-CG1 4.46Å; I78-V84 PolarHBondContact N-O 3.32Å; D79-V84 HydrophobicContact CB-CB 4.01Å; D79-V84 HydrophobicContact CB-CG2 4.32Å; D79-V84 PolarHBondContact N-O 2.85Å; D79-V84 PolarHBondContact O-N 3.13Å; K82-V84 VanDerWaalsContact C-N 3.26Å; K82-V84 HydrophobicContact CB-CG2 3.75Å; K82-V84 PolarHBondContact O-N 3.19Å
85	Y	93.5	Very high	91.6	Very high	117 Å²	117	91.6 Å²	91.6	46%	0.459	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.2	177.4	-61.8	-99.1	0	0	0	110.7	M75 E76 L77 N83	M75-Y85 HydrophobicContact CB-CD1 4.28Å; E76-Y85 CarbonylContact O-C 3.48Å; E76-Y85 WeakPolarHBondContact O-CA 3.32Å; L77-Y85 HydrophobicContact CB-CD1 4.13Å; L77-Y85 HydrophobicContact CB-CE1 3.93Å; L77-Y85 HydrophobicContact CD1-CD1 4.08Å; L77-Y85 HydrophobicContact CD1-CE1 3.67Å; L77-Y85 HydrophobicContact CD1-CE2 4.11Å; L77-Y85 HydrophobicContact CD1-CG 4.48Å; L77-Y85 HydrophobicContact CG-CE1 4.31Å; N83-Y85 HydrophobicContact CB-CE2 4.25Å; N83-Y85 WeakPolarHBondContact O-CD2 3.45Å
86	R	92.2	Very high	90.1	Very high	130 Å²	130	94.1 Å²	94.1	49%	0.491	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.8	167.7	179.6	-171.2	-62.2	138.6	-1.7	108.6	M75 E76 I78	M75-R86 CarbonylContact C-O 3.56Å; M75-R86 WeakPolarHBondContact CA-O 3.37Å; E76-R86 HydrophobicContact CB-CB 4.34Å; E76-R86 PolarHBondContact N-O 3.26Å; E76-R86 PolarHBondContact O-N 3.22Å; E76-R86 IonicContact OE2-CZ 2.81Å; E76-R86 IonicContact OE2-NH1 2.72Å; E76-R86 PolarHBondContact OE2-NH1 2.81Å; I78-R86 HydrophobicContact CD1-CB 3.94Å; I78-R86 HydrophobicContact CG1-CB 3.83Å
87	M	91.7	Very high	88.8	Confident	110 Å²	110	99.9 Å²	99.9	54%	0.542	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.4	171.3	-70.8	174.1	161.8	0	0	110	I73 M75 L89	I73-M87 HydrophobicContact CG2-CB 4.37Å; M75-M87 HydrophobicContact CE-CE 3.56Å; M75-M87 HydrophobicContact CG-CG 4.1Å; M75-M87 HydrophobicContact SD-CE 3.89Å; M75-M87 HydrophobicContact SD-CG 4.28Å; M87-L89 HydrophobicContact CB-CD2 4.32Å; M87-L89 HydrophobicContact CB-CG 4.4Å; M87-L89 PolarHBondContact O-N 3.36Å
88	N	89.6	Confident	87.3	Confident	38 Å²	38	101.4 Å²	101.4	20%	0.203	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	83.6	174.4	-68.9	-21.4	0	0	0	109.1	Q74 E76	Q74-N88 HydrophobicContact CB-CB 4.44Å; Q74-N88 PolarHBondContact O-N 2.88Å; E76-N88 PolarHBondContact OE1-ND2 2.6Å
89	L	90.6	Very high	85.9	Confident	121 Å²	121	106.1 Å²	106.1	63%	0.634	53%	0.533	S	S	*	.			trans	-75.5	139.5	176.2	-57.8	-179.1	0	0	0	110.4	I73 M87 L93	I73-L89 HydrophobicContact CD1-CD2 4.01Å; I73-L89 HydrophobicContact CG2-CD2 4.03Å; M87-L89 HydrophobicContact CB-CD2 4.32Å; M87-L89 HydrophobicContact CB-CG 4.4Å; M87-L89 PolarHBondContact O-N 3.36Å; L89-L93 HydrophobicContact CB-CD1 4.23Å; L89-L93 HydrophobicContact CD2-CD1 3.85Å
90	R	90.9	Very high	84.4	Confident	43 Å²	43	113 Å²	113	16%	0.162	56%	0.563	C	S	.	*			trans	-125.8	151.4	179.3	-59.6	-179	-54.1	-83.3	-7.4	109.5	R69 V72 D92 L93	R69-R90 PolarHBondContact O-NH2 2.99Å; V72-R90 PolarHBondContact O-NH1 2.93Å; V72-R90 VanDerWaalsContact O-NH1 3.13Å; V72-R90 PolarHBondContact O-NH2 2.93Å; R90-D92 WeakPolarHBondContact CB-OD1 3.2Å; R90-D92 IonicContact NE-OD1 2.68Å; R90-D92 PolarHBondContact NE-OD1 3.46Å; R90-D92 PolarHBondContact O-N 2.82Å; R90-D92 VanDerWaalsContact O-N 3.13Å; R90-L93 HydrophobicContact CB-CG 4.41Å; R90-L93 WeakPolarHBondContact O-CB 3.38Å; R90-L93 WeakPolarHBondContact O-CG 3.32Å; R90-L93 PolarHBondContact O-N 3.18Å
91	D	89.7	Confident	82.8	Confident	167 Å²	167	115.6 Å²	115.6	89%	0.893	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-20.5	-176.6	-59.2	-26	0	0	0	113.5
92	D	89.8	Confident	81.5	Confident	48 Å²	48	114 Å²	114	26%	0.257	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-2.3	-177.9	57.8	2.1	0	0	0	114.3	R69 T70 R90	R69-D92 WeakPolarHBondContact CD-OD2 3.43Å; R69-D92 HydrophobicContact CG-CB 3.97Å; R69-D92 WeakPolarHBondContact CG-OD2 3.39Å; T70-D92 WeakPolarHBondContact CA-O 3.36Å; T70-D92 WeakPolarHBondContact CG2-O 3.5Å; R90-D92 WeakPolarHBondContact CB-OD1 3.2Å; R90-D92 IonicContact NE-OD1 2.68Å; R90-D92 PolarHBondContact NE-OD1 3.46Å; R90-D92 PolarHBondContact O-N 2.82Å; R90-D92 VanDerWaalsContact O-N 3.13Å
93	L	91.5	Very high	80.3	Confident	10 Å²	10	116 Å²	116	5%	0.052	58%	0.581	C	S	.	*			trans	-64.2	136.3	176.1	-67.9	171.7	0	0	0	110.7	T70 I73 L89 R90 Y95	T70-L93 WeakPolarHBondContact O-CA 3.33Å; T70-L93 WeakPolarHBondContact O-CD2 3.04Å; I73-L93 HydrophobicContact CD1-CD1 4.01Å; I73-L93 HydrophobicContact CD1-CD2 4.5Å; I73-L93 HydrophobicContact CG1-CD1 3.76Å; I73-L93 HydrophobicContact CG1-CD2 3.73Å; I73-L93 HydrophobicContact CG1-CG 4.41Å; L89-L93 HydrophobicContact CB-CD1 4.23Å; L89-L93 HydrophobicContact CD2-CD1 3.85Å; R90-L93 HydrophobicContact CB-CG 4.41Å; R90-L93 WeakPolarHBondContact O-CB 3.38Å; R90-L93 WeakPolarHBondContact O-CG 3.32Å; R90-L93 PolarHBondContact O-N 3.18Å; L93-Y95 PolarHBondContact O-N 3.33Å
94	A	87.2	Confident	78.8	Confident	71 Å²	71	118 Å²	118	59%	0.587	59%	0.592	S	S	*	*	S	Bend	trans	-71.9	-12.7	175	0	0	0	0	0	112.7	T70 Q96	T70-A94 PolarHBondContact O-N 2.9Å; A94-Q96 PolarHBondContact O-N 3.01Å
95	Y	78.2	Confident	77	Confident	123 Å²	123	128 Å²	128	48%	0.482	63%	0.629	S	S	.	*			trans	-85	81.8	176.1	-47.9	-72.3	0	0	0	109.4	I73 L93	I73-Y95 HydrophobicContact CD1-CD2 4Å; I73-Y95 HydrophobicContact CD1-CE2 4.39Å; L93-Y95 PolarHBondContact O-N 3.33Å
96	Q	62.2	Low	76.2	Confident	156 Å²	156	128.6 Å²	128.6	73%	0.729	64%	0.638	S	S	*	*			trans	-96	138.1	167.9	-66.1	-175.6	-2.9	0	0	109.1	A94 N98	A94-Q96 PolarHBondContact O-N 3.01Å; Q96-N98 PolarHBondContact O-N 2.72Å
97	D	62.6	Low	75.4	Confident	169 Å²	169	128.5 Å²	128.5	90%	0.904	65%	0.646	S	S	*	*			trans	34.2	75.8	179.5	-81.5	-19.8	0	0	0	114.5	E99	D97-E99 PolarHBondContact O-N 3.36Å
98	N	63.4	Low	74.5	Confident	125 Å²	125	129.6 Å²	129.6	67%	0.668	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-64.8	132.3	159.8	-65.4	-39.2	0	0	0	107.8	Q96 H100	Q96-N98 PolarHBondContact O-N 2.72Å; N98-H100 PolarHBondContact O-N 3.43Å
99	E	64.1	Low	73.6	Confident	187 Å²	187	134.9 Å²	134.9	87%	0.874	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-48.1	136.9	169.6	-73.3	-175.4	168.1	0	0	109.5	D97 C101	D97-E99 PolarHBondContact O-N 3.36Å; E99-C101 PolarHBondContact O-N 3.17Å
100	H	62.3	Low	72.5	Confident	183 Å²	183	135.8 Å²	135.8	85%	0.847	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-50.4	127.9	177.7	-73.5	-64.3	0	0	0	109.6	N98 I102	N98-H100 PolarHBondContact O-N 3.43Å; H100-I102 PolarHBondContact O-N 2.96Å
101	C	61.1	Low	71.3	Confident	122 Å²	122	142 Å²	142	82%	0.824	72%	0.715	S	S	*	*			trans	-53.1	112	169.4	-71.3	0	0	0	0	108.4	E99 K103	E99-C101 PolarHBondContact O-N 3.17Å; C101-K103 PolarHBondContact O-N 2.89Å
102	I	69.7	Low	70	Confident	147 Å²	147	140.2 Å²	140.2	75%	0.754	70%	0.702	S	S	*	*			trans	-63.1	106.9	169.2	-56.7	176	0	0	0	105.1	H100 D104	H100-I102 PolarHBondContact O-N 2.96Å; I102-D104 VanDerWaalsContact C-N 3.25Å; I102-D104 PolarHBondContact O-N 3Å
103	K	68.3	Low	68.4	Low	192 Å²	192	147.3 Å²	147.3	84%	0.835	74%	0.737	S	S	*	*			trans	-72.7	92.1	166.2	-67.3	-170.5	179.7	-174.8	0	105.8	C101 K105	C101-K103 PolarHBondContact O-N 2.89Å; K103-K105 PolarHBondContact O-N 3.22Å
104	D	62.7	Low	66.5	Low	152 Å²	152	158.8 Å²	158.8	81%	0.813	79%	0.794	S	S	*	*			trans	-55.6	125.2	161.4	-93.1	-45	0	0	0	107.4	I102	I102-D104 VanDerWaalsContact C-N 3.25Å; I102-D104 PolarHBondContact O-N 3Å
105	K	56.6	Low	64.6	Low	278 Å²	278	166.7 Å²	166.7	100%	1.209	81%	0.813	S	S	*	*			trans	-77	0	-179.9	-88.6	-176.7	174.9	177.2	0	111.2	K103	K103-K105 PolarHBondContact O-N 3.22Å

Retrieved 105 of 105 residues in 179.5 ms (Link to these results)

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