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Cytochrome c oxidase subunit 5A, mitochondrial

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A5K4ESP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 aa.

						>A0A5K4ESP3_SCHMA|A0A5K4ESP3
MQRLHLEDAVPPPEVVISGLKACKRLNDIALAIRFVESVKFKCKVAKGAWEWMKQEIEPTMKQLGLPTLEELGYDTPELAVIDYDD
					

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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	84.3	Confident	90.7	Very high	87 Å²	87	103.3 Å²	103.3	43%	0.429	51%	0.512	S	S	.	.				0	-72.1	0	-51.6	-59.5	-148.1	0	0	111.3	R3 L4 H5 C23 L31 F35	M1-R3 PolarHBondContact O-N 3.49Å; M1-L4 WeakPolarHBondContact O-CB 3.37Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-H5 PolarHBondContact O-N 3.32Å; M1-H5 VanDerWaalsContact O-N 3.16Å; M1-C23 WeakPolarHBondContact CE-SG 3.36Å; M1-L31 HydrophobicContact CE-CD1 4.35Å; M1-L31 HydrophobicContact CE-CD2 4.43Å; M1-L31 HydrophobicContact CE-CG 4.04Å; M1-F35 HydrophobicContact CE-CB 3.45Å; M1-F35 VanDerWaalsContact CE-CB 3.45Å; M1-F35 HydrophobicContact CE-CD1 3.6Å; M1-F35 HydrophobicContact CE-CD2 3.84Å; M1-F35 HydrophobicContact CE-CE1 4.24Å; M1-F35 HydrophobicContact CE-CE2 4.46Å; M1-F35 HydrophobicContact CE-CG 3.35Å; M1-F35 HydrophobicContact CG-CD2 4.47Å; M1-F35 HydrophobicContact SD-CB 3.99Å; M1-F35 HydrophobicContact SD-CD1 3.78Å; M1-F35 HydrophobicContact SD-CD2 3.15Å; M1-F35 WeakPolarHBondContact SD-CD2 3.39Å; M1-F35 HydrophobicContact SD-CE1 3.97Å; M1-F35 HydrophobicContact SD-CE2 3.39Å; M1-F35 WeakPolarHBondContact SD-CE2 3.15Å; M1-F35 HydrophobicContact SD-CG 3.36Å; M1-F35 WeakPolarHBondContact SD-CG 3.44Å; M1-F35 HydrophobicContact SD-CZ 3.79Å
2	Q	90.2	Very high	91	Very high	170 Å²	170	100 Å²	100	79%	0.794	50%	0.504	S	S	*	.	H	α-helix	trans	-57.4	-46.9	-173.9	-68.5	172.2	0.8	0	0	114	L4 H5 L6	Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 2.87Å; Q2-H5 WeakPolarHBondContact O-CB 3.38Å; Q2-H5 PolarHBondContact O-N 3.23Å; Q2-L6 PolarHBondContact O-N 3.05Å
3	R	91.2	Very high	91.5	Very high	213 Å²	213	92.6 Å²	92.6	80%	0.804	47%	0.467	S	S	*	.	H	α-helix	trans	-58.4	-42.9	177.3	-65.7	-175.5	-176.6	171.2	0.2	113	M1 H5 L6	M1-R3 PolarHBondContact O-N 3.49Å; R3-H5 PolarHBondContact O-N 3.05Å; R3-L6 PolarHBondContact O-N 3.12Å; R3-L6 VanDerWaalsContact O-N 3.12Å
4	L	89.5	Confident	91.9	Very high	35 Å²	35	94.9 Å²	94.9	18%	0.183	48%	0.475	C	S	.	.	H	α-helix	trans	-62.5	-28.8	176.3	-171.8	65.3	0	0	0	112.1	M1 Q2 P11 V15 F35 K42	M1-L4 WeakPolarHBondContact O-CB 3.37Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.16Å; Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 2.87Å; L4-P11 HydrophobicContact CD1-CB 3.91Å; L4-P11 HydrophobicContact CD2-CB 3.7Å; L4-P11 HydrophobicContact CD2-CG 4.17Å; L4-P11 HydrophobicContact CG-CB 3.97Å; L4-V15 HydrophobicContact CD1-CG1 4.27Å; L4-V15 HydrophobicContact CD2-CG1 3.75Å; L4-F35 HydrophobicContact CD2-CE2 4.08Å; L4-F35 HydrophobicContact CD2-CZ 4.08Å; L4-K42 PolarHBondContact O-NZ 3.04Å
5	H	88.4	Confident	92.2	Very high	86 Å²	86	92.7 Å²	92.7	40%	0.398	47%	0.468	S	S	.	.	H	α-helix	trans	-75.1	-29.2	177.7	-166.1	72.8	0	0	0	112.5	M1 Q2 R3 E7 K42	M1-H5 PolarHBondContact O-N 3.32Å; M1-H5 VanDerWaalsContact O-N 3.16Å; Q2-H5 WeakPolarHBondContact O-CB 3.38Å; Q2-H5 PolarHBondContact O-N 3.23Å; R3-H5 PolarHBondContact O-N 3.05Å; H5-E7 VanDerWaalsContact C-N 3.33Å; H5-K42 WeakPolarHBondContact O-CE 3.35Å; H5-K42 PolarHBondContact O-NZ 3.39Å
6	L	91.6	Very high	92.4	Very high	150 Å²	150	86.9 Å²	86.9	79%	0.785	44%	0.439	S	S	*	.	H	α-helix	trans	-74.4	-20.6	179.3	-63.4	173.7	0	0	0	113.8	Q2 R3	Q2-L6 PolarHBondContact O-N 3.05Å; R3-L6 PolarHBondContact O-N 3.12Å; R3-L6 VanDerWaalsContact O-N 3.12Å
7	E	92.5	Very high	92.8	Very high	112 Å²	112	83.6 Å²	83.6	52%	0.523	42%	0.422	S	S	.	.	S	Bend	trans	-73.9	141.2	178.6	-67.2	172.5	-164.8	0	0	111.1	H5 A9 K42	H5-E7 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 3.36Å; E7-K42 PolarHBondContact O-NZ 2.95Å
8	D	91.9	Very high	93	Very high	177 Å²	177	82.9 Å²	82.9	95%	0.947	43%	0.427	S	S	*	.	S	Bend	trans	-80.8	60.7	176.1	-172.3	24	0	0	0	111.7
9	A	91.5	Very high	93.2	Very high	54 Å²	54	79.3 Å²	79.3	45%	0.446	41%	0.411	S	S	.	.	S	Bend	trans	-153.9	148.8	179.3	0	0	0	0	0	111.5	E7 K42	E7-A9 PolarHBondContact O-N 3.36Å; A9-K42 PolarHBondContact O-NZ 3.26Å
10	V	92.7	Very high	93.4	Very high	48 Å²	48	75.4 Å²	75.4	29%	0.291	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-74.4	125.2	162	177.9	0	0	0	0	107.3	C43 M53	V10-C43 VanDerWaalsContact CG1-SG 3.56Å; V10-M53 HydrophobicContact CG1-CE 3.94Å
11	P	94.2	Very high	93.6	Very high	4 Å²	4	76.1 Å²	76.1	3%	0.026	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-64.6	143.2	-179.8	28.2	-35.9	0	0	0	110.8	L4 V15 V16 V39 M53	L4-P11 HydrophobicContact CD1-CB 3.91Å; L4-P11 HydrophobicContact CD2-CB 3.7Å; L4-P11 HydrophobicContact CD2-CG 4.17Å; L4-P11 HydrophobicContact CG-CB 3.97Å; P11-V15 HydrophobicContact CB-CG1 4.46Å; P11-V16 HydrophobicContact CB-CG2 4.09Å; P11-V16 HydrophobicContact CG-CG2 3.75Å; P11-V39 HydrophobicContact CG-CG1 4.44Å; P11-V39 HydrophobicContact CG-CG2 4.13Å; P11-M53 WeakPolarHBondContact O-CE 3.21Å
12	P	94.5	Very high	94.2	Very high	64 Å²	64	73.2 Å²	73.2	42%	0.416	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-67.4	151.2	176.5	29.5	-35.1	0	0	0	111	E14 V15 V16	P12-E14 WeakPolarHBondContact CB-OE2 2.96Å; P12-E14 PolarHBondContact O-N 3.47Å; P12-E14 VanDerWaalsContact O-N 3.16Å; P12-V15 HydrophobicContact CG-CB 4.12Å; P12-V15 HydrophobicContact CG-CG2 3.65Å; P12-V15 WeakPolarHBondContact O-CB 3.4Å; P12-V15 PolarHBondContact O-N 3.14Å; P12-V16 PolarHBondContact O-N 3.4Å
13	P	96.7	Very high	94.5	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-35	-173.2	-26.1	33.2	0	0	0	113.9	V15 V16 I17 W52 M53 E56	P13-V15 VanDerWaalsContact C-N 3.27Å; P13-V15 PolarHBondContact O-N 3.2Å; P13-V16 PolarHBondContact O-N 3.14Å; P13-V16 VanDerWaalsContact O-N 3.12Å; P13-I17 WeakPolarHBondContact O-CB 3.36Å; P13-I17 VanDerWaalsContact O-CG1 3.24Å; P13-I17 WeakPolarHBondContact O-CG1 3.48Å; P13-I17 PolarHBondContact O-N 2.91Å; P13-W52 HydrophobicContact CG-CH2 3.35Å; P13-W52 HydrophobicContact CG-CZ2 3.52Å; P13-W52 HydrophobicContact CG-CZ3 3.97Å; P13-M53 HydrophobicContact CB-SD 4.2Å; P13-M53 HydrophobicContact CG-CE 4.1Å; P13-M53 HydrophobicContact CG-SD 4.13Å; P13-E56 HydrophobicContact CB-CB 3.65Å; P13-E56 HydrophobicContact CB-CG 4.22Å; P13-E56 HydrophobicContact CG-CB 3.85Å; P13-E56 HydrophobicContact CG-CG 3.89Å
14	E	96.9	Very high	94.7	Very high	125 Å²	125	60.5 Å²	60.5	58%	0.584	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-36	179.4	-56.9	80.4	-178.2	0	0	111.7	P12 S18	P12-E14 WeakPolarHBondContact CB-OE2 2.96Å; P12-E14 PolarHBondContact O-N 3.47Å; P12-E14 VanDerWaalsContact O-N 3.16Å; E14-S18 VanDerWaalsContact O-CB 3.29Å; E14-S18 WeakPolarHBondContact O-CB 3.41Å; E14-S18 PolarHBondContact O-N 3.22Å; E14-S18 PolarHBondContact O-OG 3.26Å
15	V	96.3	Very high	95.1	Very high	61 Å²	61	67.5 Å²	67.5	37%	0.37	35%	0.354	S	S	.	.	H	α-helix	trans	-70	-41.8	175.3	172.4	0	0	0	0	110	L4 P11 P12 P13 S18 G19	L4-V15 HydrophobicContact CD1-CG1 4.27Å; L4-V15 HydrophobicContact CD2-CG1 3.75Å; P11-V15 HydrophobicContact CB-CG1 4.46Å; P12-V15 HydrophobicContact CG-CB 4.12Å; P12-V15 HydrophobicContact CG-CG2 3.65Å; P12-V15 WeakPolarHBondContact O-CB 3.4Å; P12-V15 PolarHBondContact O-N 3.14Å; P13-V15 VanDerWaalsContact C-N 3.27Å; P13-V15 PolarHBondContact O-N 3.2Å; V15-S18 PolarHBondContact O-N 3.08Å; V15-G19 PolarHBondContact O-N 3.35Å
16	V	96.8	Very high	95.5	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-49.2	176.8	-177.2	0	0	0	0	110.5	P11 P12 P13 S18 G19 L20 F35 V39 M53 I57	P11-V16 HydrophobicContact CB-CG2 4.09Å; P11-V16 HydrophobicContact CG-CG2 3.75Å; P12-V16 PolarHBondContact O-N 3.4Å; P13-V16 PolarHBondContact O-N 3.14Å; P13-V16 VanDerWaalsContact O-N 3.12Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.32Å; V16-G19 CarbonylContact O-C 3.57Å; V16-G19 WeakPolarHBondContact O-CA 3.47Å; V16-G19 PolarHBondContact O-N 3.47Å; V16-L20 HydrophobicContact CG1-CD1 4.46Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; V16-L20 PolarHBondContact O-N 3.38Å; V16-F35 HydrophobicContact CB-CE1 4.36Å; V16-F35 HydrophobicContact CG1-CE1 3.89Å; V16-F35 HydrophobicContact CG1-CZ 4.4Å; V16-F35 HydrophobicContact CG2-CZ 4.48Å; V16-V39 HydrophobicContact CG1-CG2 4.22Å; V16-V39 HydrophobicContact CG2-CG1 4.26Å; V16-V39 HydrophobicContact CG2-CG2 3.98Å; V16-M53 HydrophobicContact CB-SD 4.36Å; V16-M53 HydrophobicContact CG2-CE 4.41Å; V16-M53 HydrophobicContact CG2-SD 3.93Å; V16-I57 HydrophobicContact CB-CG2 4.12Å; V16-I57 HydrophobicContact CG1-CD1 4.47Å; V16-I57 HydrophobicContact CG1-CG2 3.86Å
17	I	97.7	Very high	95.7	Very high	31 Å²	31	69 Å²	69	16%	0.159	37%	0.365	C	S	.	.	H	α-helix	trans	-55.7	-44.6	175.7	-71.6	167.5	0	0	0	111.2	P13 G19 L20 K21 I57 T60	P13-I17 WeakPolarHBondContact O-CB 3.36Å; P13-I17 VanDerWaalsContact O-CG1 3.24Å; P13-I17 WeakPolarHBondContact O-CG1 3.48Å; P13-I17 PolarHBondContact O-N 2.91Å; I17-G19 VanDerWaalsContact C-N 3.32Å; I17-G19 PolarHBondContact O-N 3.33Å; I17-L20 PolarHBondContact O-N 3.14Å; I17-K21 HydrophobicContact CG2-CD 4.18Å; I17-K21 WeakPolarHBondContact O-CG 3.43Å; I17-K21 PolarHBondContact O-N 3.02Å; I17-I57 HydrophobicContact CG1-CG2 4.25Å; I17-T60 HydrophobicContact CG1-CG2 4.49Å; I17-T60 HydrophobicContact CG2-CG2 4.03Å
18	S	97.1	Very high	95.9	Very high	72 Å²	72	67 Å²	67	50%	0.503	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-39.2	177.1	-63.6	0	0	0	0	111.9	E14 V15 V16 A22	E14-S18 VanDerWaalsContact O-CB 3.29Å; E14-S18 WeakPolarHBondContact O-CB 3.41Å; E14-S18 PolarHBondContact O-N 3.22Å; E14-S18 PolarHBondContact O-OG 3.26Å; V15-S18 PolarHBondContact O-N 3.08Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.32Å; S18-A22 WeakPolarHBondContact O-CB 3.26Å; S18-A22 PolarHBondContact O-N 2.78Å
19	G	96.3	Very high	96.1	Very high	13 Å²	13	63.1 Å²	63.1	13%	0.134	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-46.1	172.6	0	0	0	0	0	112.8	V15 V16 I17 A22 C23	V15-G19 PolarHBondContact O-N 3.35Å; V16-G19 CarbonylContact O-C 3.57Å; V16-G19 WeakPolarHBondContact O-CA 3.47Å; V16-G19 PolarHBondContact O-N 3.47Å; I17-G19 VanDerWaalsContact C-N 3.32Å; I17-G19 PolarHBondContact O-N 3.33Å; G19-A22 WeakPolarHBondContact O-CB 3.35Å; G19-A22 PolarHBondContact O-N 3.22Å; G19-A22 VanDerWaalsContact O-N 3.15Å; G19-C23 PolarHBondContact O-N 3.28Å; G19-C23 PolarHBondContact O-SG 3.5Å
20	L	97.2	Very high	96.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-44.5	177.3	-62.9	177.7	0	0	0	111.8	V16 I17 A22 C23 K24 A32 F35 V36 T60 M61 L64 L66	V16-L20 HydrophobicContact CG1-CD1 4.46Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; V16-L20 PolarHBondContact O-N 3.38Å; I17-L20 PolarHBondContact O-N 3.14Å; L20-A22 VanDerWaalsContact C-N 3.26Å; L20-A22 PolarHBondContact O-N 3.13Å; L20-C23 WeakPolarHBondContact O-CB 3.47Å; L20-C23 PolarHBondContact O-N 2.93Å; L20-K24 PolarHBondContact O-N 2.98Å; L20-A32 HydrophobicContact CD2-CB 4.34Å; L20-F35 HydrophobicContact CD2-CD1 4.07Å; L20-V36 HydrophobicContact CD2-CG2 3.75Å; L20-T60 HydrophobicContact CB-CG2 4.44Å; L20-T60 HydrophobicContact CD1-CG2 4.42Å; L20-M61 HydrophobicContact CD1-CG 4Å; L20-L64 HydrophobicContact CB-CD1 3.82Å; L20-L66 HydrophobicContact CB-CD1 4.41Å; L20-L66 HydrophobicContact CD1-CD1 4.5Å; L20-L66 HydrophobicContact CD2-CD1 3.96Å
21	K	97.3	Very high	96.5	Very high	91 Å²	91	64.2 Å²	64.2	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-35.7	173.9	-72.1	176.3	180	175.1	0	111.6	I17 K24 R25 T60 L64	I17-K21 HydrophobicContact CG2-CD 4.18Å; I17-K21 WeakPolarHBondContact O-CG 3.43Å; I17-K21 PolarHBondContact O-N 3.02Å; K21-K24 PolarHBondContact O-N 3.04Å; K21-R25 WeakPolarHBondContact O-CG 3.38Å; K21-R25 PolarHBondContact O-N 3.1Å; K21-R25 VanDerWaalsContact O-N 3.15Å; K21-R25 PolarHBondContact O-NH1 3.2Å; K21-T60 HydrophobicContact CG-CG2 4.47Å; K21-L64 HydrophobicContact CG-CD1 4.41Å
22	A	97.3	Very high	96.6	Very high	27 Å²	27	64.1 Å²	64.1	22%	0.223	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-42.7	174.2	0	0	0	0	0	112.4	S18 G19 L20 K24 R25 L26	S18-A22 WeakPolarHBondContact O-CB 3.26Å; S18-A22 PolarHBondContact O-N 2.78Å; G19-A22 WeakPolarHBondContact O-CB 3.35Å; G19-A22 PolarHBondContact O-N 3.22Å; G19-A22 VanDerWaalsContact O-N 3.15Å; L20-A22 VanDerWaalsContact C-N 3.26Å; L20-A22 PolarHBondContact O-N 3.13Å; A22-K24 VanDerWaalsContact C-N 3.28Å; A22-K24 PolarHBondContact O-N 3.38Å; A22-R25 VanDerWaalsContact CA-CZ 3.49Å; A22-R25 VanDerWaalsContact CB-NH2 3.34Å; A22-R25 PolarHBondContact O-N 3.47Å; A22-R25 VanDerWaalsContact O-N 3.14Å; A22-L26 PolarHBondContact O-N 3.42Å; A22-L26 VanDerWaalsContact O-N 3.14Å
23	C	96.8	Very high	96.6	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.02	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-40.3	174.5	-60.2	0	0	0	0	111.5	M1 G19 L20 R25 L26 N27 D28 A32	M1-C23 WeakPolarHBondContact CE-SG 3.36Å; G19-C23 PolarHBondContact O-N 3.28Å; G19-C23 PolarHBondContact O-SG 3.5Å; L20-C23 WeakPolarHBondContact O-CB 3.47Å; L20-C23 PolarHBondContact O-N 2.93Å; C23-R25 PolarHBondContact O-N 2.92Å; C23-L26 CarbonylContact O-C 3.58Å; C23-L26 PolarHBondContact O-N 2.89Å; C23-N27 PolarHBondContact O-N 3.18Å; C23-N27 VanDerWaalsContact O-N 3.12Å; C23-D28 PolarHBondContact O-N 3.42Å; C23-A32 HydrophobicContact CB-CB 3.69Å
24	K	96.4	Very high	96.5	Very high	113 Å²	113	69.2 Å²	69.2	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-42.2	174.5	-173.3	68.6	176.2	-170.5	0	112.6	L20 K21 A22 L26 N27 L64	L20-K24 PolarHBondContact O-N 2.98Å; K21-K24 PolarHBondContact O-N 3.04Å; A22-K24 VanDerWaalsContact C-N 3.28Å; A22-K24 PolarHBondContact O-N 3.38Å; K24-L26 PolarHBondContact O-N 2.99Å; K24-N27 PolarHBondContact O-N 3.02Å; K24-N27 PolarHBondContact O-OD1 3.39Å; K24-L64 HydrophobicContact CB-CD2 3.94Å; K24-L64 HydrophobicContact CD-CD2 4.44Å; K24-L64 HydrophobicContact CG-CD2 3.9Å; K24-L64 PolarHBondContact NZ-O 2.96Å
25	R	97.3	Very high	96.4	Very high	182 Å²	182	63.9 Å²	63.9	69%	0.687	33%	0.328	S	S	*	.	H	α-helix	trans	-62.8	-31.8	177	-68.1	-169.6	-54.7	-84.8	5.9	112.6	K21 A22 C23 N27	K21-R25 WeakPolarHBondContact O-CG 3.38Å; K21-R25 PolarHBondContact O-N 3.1Å; K21-R25 VanDerWaalsContact O-N 3.15Å; K21-R25 PolarHBondContact O-NH1 3.2Å; A22-R25 VanDerWaalsContact CA-CZ 3.49Å; A22-R25 VanDerWaalsContact CB-NH2 3.34Å; A22-R25 PolarHBondContact O-N 3.47Å; A22-R25 VanDerWaalsContact O-N 3.14Å; C23-R25 PolarHBondContact O-N 2.92Å; R25-N27 VanDerWaalsContact C-N 3.29Å
26	L	96.7	Very high	96.4	Very high	127 Å²	127	61.2 Å²	61.2	67%	0.665	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.3	176.1	-64	175.1	0	0	0	113.2	A22 C23 K24 D28	A22-L26 PolarHBondContact O-N 3.42Å; A22-L26 VanDerWaalsContact O-N 3.14Å; C23-L26 CarbonylContact O-C 3.58Å; C23-L26 PolarHBondContact O-N 2.89Å; K24-L26 PolarHBondContact O-N 2.99Å; L26-D28 HydrophobicContact CB-CB 4.4Å; L26-D28 PolarHBondContact O-N 3.37Å
27	N	96.2	Very high	96.3	Very high	141 Å²	141	63.4 Å²	63.4	75%	0.754	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.1	-171.3	-62.7	-49.8	0	0	0	113.6	C23 K24 R25	C23-N27 PolarHBondContact O-N 3.18Å; C23-N27 VanDerWaalsContact O-N 3.12Å; K24-N27 PolarHBondContact O-N 3.02Å; K24-N27 PolarHBondContact O-OD1 3.39Å; R25-N27 VanDerWaalsContact C-N 3.29Å
28	D	96.7	Very high	96.1	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.364	33%	0.328	S	S	.	.			trans	-109.2	93.4	-178.1	-166.6	-20.5	0	0	0	110.9	C23 L26 A30 L31 A32	C23-D28 PolarHBondContact O-N 3.42Å; L26-D28 HydrophobicContact CB-CB 4.4Å; L26-D28 PolarHBondContact O-N 3.37Å; D28-A30 PolarHBondContact OD1-N 3.36Å; D28-L31 HydrophobicContact CB-CB 4Å; D28-L31 WeakPolarHBondContact OD1-CB 3.4Å; D28-L31 PolarHBondContact OD1-N 3.15Å; D28-L31 WeakPolarHBondContact OD2-CB 3.46Å; D28-A32 PolarHBondContact O-N 3.19Å
29	I	95.8	Very high	95.9	Very high	96 Å²	96	60.5 Å²	60.5	49%	0.492	30%	0.304	S	S	.	.	H	α-helix	trans	-72.8	-35.4	178.3	-170.6	167.6	0	0	0	112.1	L31 A32 I33 L66	I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.15Å; I29-A32 WeakPolarHBondContact O-CB 3.13Å; I29-A32 PolarHBondContact O-N 2.94Å; I29-I33 HydrophobicContact CG1-CD1 3.97Å; I29-I33 HydrophobicContact CG1-CG1 4.48Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 2.8Å; I29-L66 HydrophobicContact CD1-CD2 4.42Å; I29-L66 HydrophobicContact CG1-CD2 3.89Å
30	A	95.4	Very high	95.8	Very high	65 Å²	65	62 Å²	62	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-42	-179.1	0	0	0	0	0	110.5	D28 A32 I33 R34	D28-A30 PolarHBondContact OD1-N 3.36Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 3.14Å; A30-I33 PolarHBondContact O-N 3.45Å; A30-R34 WeakPolarHBondContact O-CB 3.46Å; A30-R34 PolarHBondContact O-N 2.77Å
31	L	96.1	Very high	95.5	Very high	60 Å²	60	67.8 Å²	67.8	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-37.9	174.1	-177.3	62.5	0	0	0	112.2	M1 D28 I29 R34 F35	M1-L31 HydrophobicContact CE-CD1 4.35Å; M1-L31 HydrophobicContact CE-CD2 4.43Å; M1-L31 HydrophobicContact CE-CG 4.04Å; D28-L31 HydrophobicContact CB-CB 4Å; D28-L31 WeakPolarHBondContact OD1-CB 3.4Å; D28-L31 PolarHBondContact OD1-N 3.15Å; D28-L31 WeakPolarHBondContact OD2-CB 3.46Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.15Å; L31-R34 PolarHBondContact O-N 3.19Å; L31-F35 VanDerWaalsContact O-CB 3.26Å; L31-F35 WeakPolarHBondContact O-CB 3.49Å; L31-F35 PolarHBondContact O-N 3.45Å
32	A	96.5	Very high	95.3	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-48.2	176.1	0	0	0	0	0	111.2	L20 C23 D28 I29 A30 F35 V36 L66	L20-A32 HydrophobicContact CD2-CB 4.34Å; C23-A32 HydrophobicContact CB-CB 3.69Å; D28-A32 PolarHBondContact O-N 3.19Å; I29-A32 WeakPolarHBondContact O-CB 3.13Å; I29-A32 PolarHBondContact O-N 2.94Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 3.14Å; A32-F35 WeakPolarHBondContact O-CB 3.38Å; A32-F35 PolarHBondContact O-N 2.94Å; A32-V36 WeakPolarHBondContact O-CG2 3.48Å; A32-V36 PolarHBondContact O-N 2.94Å; A32-V36 VanDerWaalsContact O-N 3.1Å; A32-L66 HydrophobicContact CB-CD1 3.96Å; A32-L66 HydrophobicContact CB-CD2 3.72Å
33	I	95.4	Very high	95.1	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-50.2	176.9	-67.3	160.5	0	0	0	109.9	I29 A30 F35 V36 E37 P67 L69 L72 Y74	I29-I33 HydrophobicContact CG1-CD1 3.97Å; I29-I33 HydrophobicContact CG1-CG1 4.48Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 2.8Å; A30-I33 PolarHBondContact O-N 3.45Å; I33-F35 PolarHBondContact O-N 3.23Å; I33-V36 WeakPolarHBondContact O-CB 3.42Å; I33-V36 PolarHBondContact O-N 3.38Å; I33-E37 PolarHBondContact O-N 2.85Å; I33-P67 HydrophobicContact CD1-CG 4.46Å; I33-L69 HydrophobicContact CG2-CD2 3.93Å; I33-L72 HydrophobicContact CD1-CD1 3.59Å; I33-L72 HydrophobicContact CG1-CD1 3.96Å; I33-L72 HydrophobicContact CG2-CD1 3.96Å; I33-Y74 HydrophobicContact CG2-CD2 4.1Å
34	R	94.5	Very high	94.7	Very high	150 Å²	150	70.5 Å²	70.5	57%	0.566	34%	0.339	S	S	*	.	H	α-helix	trans	-61.9	-32.1	-179	-167.8	55.8	172.9	-176.9	3.7	112.9	A30 L31 E37 S38	A30-R34 WeakPolarHBondContact O-CB 3.46Å; A30-R34 PolarHBondContact O-N 2.77Å; L31-R34 PolarHBondContact O-N 3.19Å; R34-E37 WeakPolarHBondContact CA-OE2 3.37Å; R34-E37 WeakPolarHBondContact CD-OE2 3.41Å; R34-E37 IonicContact CZ-OE2 2.93Å; R34-E37 IonicContact NE-OE2 2.96Å; R34-E37 VanDerWaalsContact NH1-CD 3.33Å; R34-E37 IonicContact NH1-OE1 3.78Å; R34-E37 PolarHBondContact NH1-OE1 3.5Å; R34-E37 VanDerWaalsContact NH1-OE1 3.13Å; R34-E37 IonicContact NH1-OE2 3.83Å; R34-E37 PolarHBondContact NH1-OE2 2.91Å; R34-S38 WeakPolarHBondContact O-CB 3.25Å; R34-S38 PolarHBondContact O-N 3.32Å; R34-S38 PolarHBondContact O-OG 3.03Å
35	F	95.7	Very high	94.1	Very high	13 Å²	13	71.8 Å²	71.8	6%	0.057	36%	0.356	C	S	.	.	H	α-helix	trans	-68.5	-43.3	174.6	-178.2	-133.4	0	0	0	112.2	M1 L4 V16 L20 L31 A32 I33 E37 S38 V39	M1-F35 HydrophobicContact CE-CB 3.45Å; M1-F35 VanDerWaalsContact CE-CB 3.45Å; M1-F35 HydrophobicContact CE-CD1 3.6Å; M1-F35 HydrophobicContact CE-CD2 3.84Å; M1-F35 HydrophobicContact CE-CE1 4.24Å; M1-F35 HydrophobicContact CE-CE2 4.46Å; M1-F35 HydrophobicContact CE-CG 3.35Å; M1-F35 HydrophobicContact CG-CD2 4.47Å; M1-F35 HydrophobicContact SD-CB 3.99Å; M1-F35 HydrophobicContact SD-CD1 3.78Å; M1-F35 HydrophobicContact SD-CD2 3.15Å; M1-F35 WeakPolarHBondContact SD-CD2 3.39Å; M1-F35 HydrophobicContact SD-CE1 3.97Å; M1-F35 HydrophobicContact SD-CE2 3.39Å; M1-F35 WeakPolarHBondContact SD-CE2 3.15Å; M1-F35 HydrophobicContact SD-CG 3.36Å; M1-F35 WeakPolarHBondContact SD-CG 3.44Å; M1-F35 HydrophobicContact SD-CZ 3.79Å; L4-F35 HydrophobicContact CD2-CE2 4.08Å; L4-F35 HydrophobicContact CD2-CZ 4.08Å; V16-F35 HydrophobicContact CB-CE1 4.36Å; V16-F35 HydrophobicContact CG1-CE1 3.89Å; V16-F35 HydrophobicContact CG1-CZ 4.4Å; V16-F35 HydrophobicContact CG2-CZ 4.48Å; L20-F35 HydrophobicContact CD2-CD1 4.07Å; L31-F35 VanDerWaalsContact O-CB 3.26Å; L31-F35 WeakPolarHBondContact O-CB 3.49Å; L31-F35 PolarHBondContact O-N 3.45Å; A32-F35 WeakPolarHBondContact O-CB 3.38Å; A32-F35 PolarHBondContact O-N 2.94Å; I33-F35 PolarHBondContact O-N 3.23Å; F35-E37 VanDerWaalsContact C-N 3.35Å; F35-E37 PolarHBondContact O-N 3.4Å; F35-S38 WeakPolarHBondContact O-CB 3.4Å; F35-S38 PolarHBondContact O-N 2.96Å; F35-V39 HydrophobicContact CD2-CG2 4.24Å; F35-V39 HydrophobicContact CE2-CG2 3.93Å; F35-V39 HydrophobicContact CZ-CG2 4.13Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.23Å
36	V	95.2	Very high	93.7	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.024	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174.8	178.2	0	0	0	0	110.8	L20 A32 I33 S38 V39 K40 W50 L69	L20-V36 HydrophobicContact CD2-CG2 3.75Å; A32-V36 WeakPolarHBondContact O-CG2 3.48Å; A32-V36 PolarHBondContact O-N 2.94Å; A32-V36 VanDerWaalsContact O-N 3.1Å; I33-V36 WeakPolarHBondContact O-CB 3.42Å; I33-V36 PolarHBondContact O-N 3.38Å; V36-S38 VanDerWaalsContact C-N 3.31Å; V36-S38 PolarHBondContact O-N 3.03Å; V36-V39 PolarHBondContact O-N 3.49Å; V36-K40 PolarHBondContact O-N 3.17Å; V36-W50 HydrophobicContact CG1-CH2 3.67Å; V36-W50 HydrophobicContact CG1-CZ2 4.49Å; V36-L69 HydrophobicContact CG1-CD1 4.04Å; V36-L69 HydrophobicContact CG1-CD2 4.46Å; V36-L69 HydrophobicContact CG1-CG 4.09Å
37	E	94	Very high	93.4	Very high	47 Å²	47	69.7 Å²	69.7	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-56.6	-45	172.8	-67.1	-179.5	95.1	0	0	111.8	I33 R34 F35 V39 K40 F41 L69	I33-E37 PolarHBondContact O-N 2.85Å; R34-E37 WeakPolarHBondContact CA-OE2 3.37Å; R34-E37 WeakPolarHBondContact CD-OE2 3.41Å; R34-E37 IonicContact CZ-OE2 2.93Å; R34-E37 IonicContact NE-OE2 2.96Å; R34-E37 VanDerWaalsContact NH1-CD 3.33Å; R34-E37 IonicContact NH1-OE1 3.78Å; R34-E37 PolarHBondContact NH1-OE1 3.5Å; R34-E37 VanDerWaalsContact NH1-OE1 3.13Å; R34-E37 IonicContact NH1-OE2 3.83Å; R34-E37 PolarHBondContact NH1-OE2 2.91Å; F35-E37 VanDerWaalsContact C-N 3.35Å; F35-E37 PolarHBondContact O-N 3.4Å; E37-V39 VanDerWaalsContact C-N 3.34Å; E37-V39 PolarHBondContact O-N 3.47Å; E37-K40 WeakPolarHBondContact O-CB 3.36Å; E37-K40 PolarHBondContact O-N 2.94Å; E37-F41 PolarHBondContact O-N 3.3Å; E37-L69 HydrophobicContact CB-CD1 4.5Å; E37-L69 HydrophobicContact CG-CD1 3.96Å; E37-L69 HydrophobicContact CG-CD2 3.53Å; E37-L69 HydrophobicContact CG-CG 4.41Å
38	S	93.2	Very high	93.2	Very high	39 Å²	39	65 Å²	65	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-38.2	179.6	-57.7	0	0	0	0	112.1	R34 F35 V36 F41 K42	R34-S38 WeakPolarHBondContact O-CB 3.25Å; R34-S38 PolarHBondContact O-N 3.32Å; R34-S38 PolarHBondContact O-OG 3.03Å; F35-S38 WeakPolarHBondContact O-CB 3.4Å; F35-S38 PolarHBondContact O-N 2.96Å; V36-S38 VanDerWaalsContact C-N 3.31Å; V36-S38 PolarHBondContact O-N 3.03Å; S38-F41 PolarHBondContact O-N 3.27Å; S38-K42 PolarHBondContact O-N 3.31Å; S38-K42 VanDerWaalsContact O-N 3.14Å
39	V	94.5	Very high	93.1	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-44.7	175.1	174.5	0	0	0	0	110.5	P11 V16 F35 V36 E37 F41 K42 C43 W50 M53	P11-V39 HydrophobicContact CG-CG1 4.44Å; P11-V39 HydrophobicContact CG-CG2 4.13Å; V16-V39 HydrophobicContact CG1-CG2 4.22Å; V16-V39 HydrophobicContact CG2-CG1 4.26Å; V16-V39 HydrophobicContact CG2-CG2 3.98Å; F35-V39 HydrophobicContact CD2-CG2 4.24Å; F35-V39 HydrophobicContact CE2-CG2 3.93Å; F35-V39 HydrophobicContact CZ-CG2 4.13Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.23Å; V36-V39 PolarHBondContact O-N 3.49Å; E37-V39 VanDerWaalsContact C-N 3.34Å; E37-V39 PolarHBondContact O-N 3.47Å; V39-F41 VanDerWaalsContact C-N 3.27Å; V39-F41 PolarHBondContact O-N 3.39Å; V39-K42 PolarHBondContact O-N 3.34Å; V39-K42 VanDerWaalsContact O-N 3.14Å; V39-C43 PolarHBondContact O-N 3.12Å; V39-C43 PolarHBondContact O-SG 2.96Å; V39-C43 VanDerWaalsContact O-SG 3.33Å; V39-W50 HydrophobicContact CG1-CZ3 4.19Å; V39-M53 HydrophobicContact CG1-CG 3.72Å; V39-M53 HydrophobicContact CG1-SD 4.31Å
40	K	93.7	Very high	93.1	Very high	46 Å²	46	59.3 Å²	59.3	20%	0.2	31%	0.311	C	S	.	.	H	α-helix	trans	-54.9	-44.3	173.7	-178.8	179.3	179.8	-173.9	0	111.5	V36 E37 C43 K44 W50 L69 D75	V36-K40 PolarHBondContact O-N 3.17Å; E37-K40 WeakPolarHBondContact O-CB 3.36Å; E37-K40 PolarHBondContact O-N 2.94Å; K40-C43 PolarHBondContact O-N 3.26Å; K40-K44 PolarHBondContact O-N 3.29Å; K40-W50 VanDerWaalsContact CA-CE3 3.44Å; K40-W50 HydrophobicContact CB-CD2 3.85Å; K40-W50 HydrophobicContact CB-CE3 3.74Å; K40-W50 HydrophobicContact CB-CH2 3.79Å; K40-W50 HydrophobicContact CB-CZ2 3.89Å; K40-W50 HydrophobicContact CB-CZ3 3.71Å; K40-W50 HydrophobicContact CD-CD2 4.44Å; K40-W50 HydrophobicContact CD-CZ2 4.03Å; K40-W50 HydrophobicContact CG-CD2 3.72Å; K40-W50 HydrophobicContact CG-CE3 4.14Å; K40-W50 HydrophobicContact CG-CG 4.1Å; K40-W50 HydrophobicContact CG-CH2 4.43Å; K40-W50 HydrophobicContact CG-CZ2 4.03Å; K40-W50 HydrophobicContact CG-CZ3 4.48Å; K40-L69 HydrophobicContact CB-CD1 4.49Å; K40-L69 HydrophobicContact CD-CD1 3.9Å; K40-D75 PolarHBondContact NZ-O 3.48Å
41	F	91.3	Very high	93.1	Very high	122 Å²	122	61.4 Å²	61.4	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-45.1	177.3	-174.2	-96.3	0	0	0	112.1	E37 S38 V39 C43 K44	E37-F41 PolarHBondContact O-N 3.3Å; S38-F41 PolarHBondContact O-N 3.27Å; V39-F41 VanDerWaalsContact C-N 3.27Å; V39-F41 PolarHBondContact O-N 3.39Å; F41-C43 VanDerWaalsContact C-N 3.31Å; F41-C43 PolarHBondContact O-N 3.02Å; F41-K44 HydrophobicContact CD2-CD 4Å; F41-K44 HydrophobicContact CE2-CD 4.33Å; F41-K44 VanDerWaalsContact O-CB 3.28Å; F41-K44 WeakPolarHBondContact O-CB 3.37Å; F41-K44 WeakPolarHBondContact O-CG 3.4Å; F41-K44 PolarHBondContact O-N 2.88Å
42	K	91.9	Very high	93.1	Very high	30 Å²	30	64.1 Å²	64.1	13%	0.13	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-34.5	176.2	-69.1	-164.9	118.1	-165.2	0	113.1	L4 H5 E7 A9 S38 V39 K44	L4-K42 PolarHBondContact O-NZ 3.04Å; H5-K42 WeakPolarHBondContact O-CE 3.35Å; H5-K42 PolarHBondContact O-NZ 3.39Å; E7-K42 PolarHBondContact O-NZ 2.95Å; A9-K42 PolarHBondContact O-NZ 3.26Å; S38-K42 PolarHBondContact O-N 3.31Å; S38-K42 VanDerWaalsContact O-N 3.14Å; V39-K42 PolarHBondContact O-N 3.34Å; V39-K42 VanDerWaalsContact O-N 3.14Å; K42-K44 PolarHBondContact O-N 3.01Å
43	C	93.5	Very high	93.1	Very high	3 Å²	3	64 Å²	64	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-12.6	176.9	-68	0	0	0	0	113.7	V10 V39 K40 F41 V45 A46 A49 W50	V10-C43 VanDerWaalsContact CG1-SG 3.56Å; V39-C43 PolarHBondContact O-N 3.12Å; V39-C43 PolarHBondContact O-SG 2.96Å; V39-C43 VanDerWaalsContact O-SG 3.33Å; K40-C43 PolarHBondContact O-N 3.26Å; F41-C43 VanDerWaalsContact C-N 3.31Å; F41-C43 PolarHBondContact O-N 3.02Å; C43-V45 PolarHBondContact O-N 3.36Å; C43-A46 PolarHBondContact O-N 3.16Å; C43-A46 VanDerWaalsContact O-O 3.06Å; C43-A49 HydrophobicContact CB-CB 4.08Å; C43-W50 HydrophobicContact CB-CB 3.75Å; C43-W50 HydrophobicContact CB-CE3 4.41Å
44	K	88.2	Confident	93.1	Very high	145 Å²	145	65.9 Å²	65.9	63%	0.63	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.6	-179.4	-71.8	-177.3	175	-174.2	0	113.7	K40 F41 K42	K40-K44 PolarHBondContact O-N 3.29Å; F41-K44 HydrophobicContact CD2-CD 4Å; F41-K44 HydrophobicContact CE2-CD 4.33Å; F41-K44 VanDerWaalsContact O-CB 3.28Å; F41-K44 WeakPolarHBondContact O-CB 3.37Å; F41-K44 WeakPolarHBondContact O-CG 3.4Å; F41-K44 PolarHBondContact O-N 2.88Å; K42-K44 PolarHBondContact O-N 3.01Å
45	V	85	Confident	93.1	Very high	139 Å²	139	64.8 Å²	64.8	84%	0.842	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-35.5	-176.7	-177.8	0	0	0	0	111.9	C43	C43-V45 PolarHBondContact O-N 3.36Å
46	A	88.2	Confident	93.2	Very high	47 Å²	47	68.4 Å²	68.4	39%	0.388	34%	0.34	S	S	.	.	S	Bend	trans	-107.5	109.8	-177	0	0	0	0	0	110.6	C43 G48 A49	C43-A46 PolarHBondContact O-N 3.16Å; C43-A46 VanDerWaalsContact O-O 3.06Å; A46-G48 PolarHBondContact O-N 3.27Å; A46-A49 HydrophobicContact CB-CB 3.78Å; A46-A49 WeakPolarHBondContact O-CB 3.35Å; A46-A49 PolarHBondContact O-N 3.16Å
47	K	90.1	Very high	93.3	Very high	219 Å²	219	68.2 Å²	68.2	95%	0.952	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	128.6	178.2	-65.2	-175.5	-179.4	-178.7	0	110.7	A49	K47-A49 VanDerWaalsContact C-N 3.3Å; K47-A49 PolarHBondContact O-N 3.36Å
48	G	93.1	Very high	93.4	Very high	42 Å²	42	69.5 Å²	69.5	43%	0.433	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-11.5	-179.3	0	0	0	0	0	115.1	A46 W50 E51 W52	A46-G48 PolarHBondContact O-N 3.27Å; G48-W50 VanDerWaalsContact C-N 3.32Å; G48-W50 PolarHBondContact O-N 2.93Å; G48-E51 VanDerWaalsContact C-OE2 3.28Å; G48-E51 WeakPolarHBondContact CA-OE2 3.49Å; G48-E51 PolarHBondContact O-N 3.47Å; G48-W52 PolarHBondContact O-N 2.8Å; G48-W52 VanDerWaalsContact O-N 3.08Å
49	A	94.6	Very high	93.5	Very high	16 Å²	16	71.6 Å²	71.6	13%	0.132	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-32	-176.8	0	0	0	0	0	112.5	C43 A46 K47 M53	C43-A49 HydrophobicContact CB-CB 4.08Å; A46-A49 HydrophobicContact CB-CB 3.78Å; A46-A49 WeakPolarHBondContact O-CB 3.35Å; A46-A49 PolarHBondContact O-N 3.16Å; K47-A49 VanDerWaalsContact C-N 3.3Å; K47-A49 PolarHBondContact O-N 3.36Å; A49-M53 WeakPolarHBondContact O-CB 3.5Å; A49-M53 PolarHBondContact O-N 2.66Å
50	W	95.1	Very high	93.7	Very high	28 Å²	28	72 Å²	72	11%	0.106	36%	0.361	C	S	.	.	H	α-helix	trans	-71.8	-42.3	177.3	178.2	-120.9	0	0	0	111.5	V36 V39 K40 C43 G48 M53 K54 L69	V36-W50 HydrophobicContact CG1-CH2 3.67Å; V36-W50 HydrophobicContact CG1-CZ2 4.49Å; V39-W50 HydrophobicContact CG1-CZ3 4.19Å; K40-W50 VanDerWaalsContact CA-CE3 3.44Å; K40-W50 HydrophobicContact CB-CD2 3.85Å; K40-W50 HydrophobicContact CB-CE3 3.74Å; K40-W50 HydrophobicContact CB-CH2 3.79Å; K40-W50 HydrophobicContact CB-CZ2 3.89Å; K40-W50 HydrophobicContact CB-CZ3 3.71Å; K40-W50 HydrophobicContact CD-CD2 4.44Å; K40-W50 HydrophobicContact CD-CZ2 4.03Å; K40-W50 HydrophobicContact CG-CD2 3.72Å; K40-W50 HydrophobicContact CG-CE3 4.14Å; K40-W50 HydrophobicContact CG-CG 4.1Å; K40-W50 HydrophobicContact CG-CH2 4.43Å; K40-W50 HydrophobicContact CG-CZ2 4.03Å; K40-W50 HydrophobicContact CG-CZ3 4.48Å; C43-W50 HydrophobicContact CB-CB 3.75Å; C43-W50 HydrophobicContact CB-CE3 4.41Å; G48-W50 VanDerWaalsContact C-N 3.32Å; G48-W50 PolarHBondContact O-N 2.93Å; W50-M53 HydrophobicContact CE3-CB 4.31Å; W50-M53 HydrophobicContact CE3-CG 4.41Å; W50-M53 HydrophobicContact CZ3-CG 4.3Å; W50-M53 PolarHBondContact O-N 3.14Å; W50-K54 VanDerWaalsContact O-CB 3.22Å; W50-K54 WeakPolarHBondContact O-CB 3.24Å; W50-K54 PolarHBondContact O-N 3.14Å; W50-L69 HydrophobicContact CZ2-CD1 4.47Å
51	E	95.4	Very high	93.8	Very high	109 Å²	109	70.5 Å²	70.5	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-45.4	178	-67.3	70.5	-157.7	0	0	110.9	G48 Q55	G48-E51 VanDerWaalsContact C-OE2 3.28Å; G48-E51 WeakPolarHBondContact CA-OE2 3.49Å; G48-E51 PolarHBondContact O-N 3.47Å; E51-Q55 WeakPolarHBondContact O-CG 3.11Å; E51-Q55 PolarHBondContact O-N 2.96Å; E51-Q55 VanDerWaalsContact O-N 3.13Å
52	W	95.8	Very high	94	Very high	117 Å²	117	71.7 Å²	71.7	44%	0.443	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-50.7	173.4	169.4	70.1	0	0	0	111.9	P13 G48 K54 Q55 E56	P13-W52 HydrophobicContact CG-CH2 3.35Å; P13-W52 HydrophobicContact CG-CZ2 3.52Å; P13-W52 HydrophobicContact CG-CZ3 3.97Å; G48-W52 PolarHBondContact O-N 2.8Å; G48-W52 VanDerWaalsContact O-N 3.08Å; W52-K54 VanDerWaalsContact C-N 3.28Å; W52-K54 PolarHBondContact O-N 3.17Å; W52-Q55 WeakPolarHBondContact O-CB 3.28Å; W52-Q55 PolarHBondContact O-N 3.42Å; W52-Q55 VanDerWaalsContact O-N 3.14Å; W52-E56 HydrophobicContact CD2-CG 4.46Å; W52-E56 HydrophobicContact CZ2-CG 4.29Å; W52-E56 WeakPolarHBondContact O-CG 3.31Å; W52-E56 PolarHBondContact O-N 2.96Å; W52-E56 VanDerWaalsContact O-N 3.09Å
53	M	96.2	Very high	94.2	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-57.7	-43	179.1	-176.9	60.3	62.5	0	0	111.7	V10 P11 P13 V16 V39 A49 W50 Q55 E56 I57	V10-M53 HydrophobicContact CG1-CE 3.94Å; P11-M53 WeakPolarHBondContact O-CE 3.21Å; P13-M53 HydrophobicContact CB-SD 4.2Å; P13-M53 HydrophobicContact CG-CE 4.1Å; P13-M53 HydrophobicContact CG-SD 4.13Å; V16-M53 HydrophobicContact CB-SD 4.36Å; V16-M53 HydrophobicContact CG2-CE 4.41Å; V16-M53 HydrophobicContact CG2-SD 3.93Å; V39-M53 HydrophobicContact CG1-CG 3.72Å; V39-M53 HydrophobicContact CG1-SD 4.31Å; A49-M53 WeakPolarHBondContact O-CB 3.5Å; A49-M53 PolarHBondContact O-N 2.66Å; W50-M53 HydrophobicContact CE3-CB 4.31Å; W50-M53 HydrophobicContact CE3-CG 4.41Å; W50-M53 HydrophobicContact CZ3-CG 4.3Å; W50-M53 PolarHBondContact O-N 3.14Å; M53-Q55 VanDerWaalsContact C-N 3.35Å; M53-Q55 PolarHBondContact O-N 3.27Å; M53-E56 PolarHBondContact O-N 3.34Å; M53-I57 HydrophobicContact CG-CD1 4.42Å; M53-I57 HydrophobicContact CG-CG2 4.43Å; M53-I57 VanDerWaalsContact O-CG1 3.31Å; M53-I57 WeakPolarHBondContact O-CG1 3.42Å; M53-I57 WeakPolarHBondContact O-CG2 3.42Å; M53-I57 PolarHBondContact O-N 3.41Å; M53-I57 HydrophobicContact SD-CG2 3.85Å
54	K	95.1	Very high	94.3	Very high	65 Å²	65	78.3 Å²	78.3	28%	0.283	39%	0.391	S	S	.	.	H	α-helix	trans	-59.4	-45.4	177.9	-173.8	173.5	-176.6	170.4	0	110.8	W50 W52 E56 I57 E58 E70	W50-K54 VanDerWaalsContact O-CB 3.22Å; W50-K54 WeakPolarHBondContact O-CB 3.24Å; W50-K54 PolarHBondContact O-N 3.14Å; W52-K54 VanDerWaalsContact C-N 3.28Å; W52-K54 PolarHBondContact O-N 3.17Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-E56 PolarHBondContact O-N 3.46Å; K54-I57 PolarHBondContact O-N 3.33Å; K54-E58 WeakPolarHBondContact O-CB 3.29Å; K54-E58 PolarHBondContact O-N 2.96Å; K54-E70 IonicContact NZ-OE1 2.66Å; K54-E70 PolarHBondContact NZ-OE1 3.42Å; K54-E70 IonicContact NZ-OE2 2.8Å; K54-E70 PolarHBondContact NZ-OE2 3.31Å
55	Q	96.2	Very high	94.7	Very high	127 Å²	127	74.2 Å²	74.2	59%	0.593	39%	0.39	S	S	*	.	H	α-helix	trans	-60	-43.1	176.5	-72.3	173.4	-1.8	0	0	112.2	E51 W52 M53 P59	E51-Q55 WeakPolarHBondContact O-CG 3.11Å; E51-Q55 PolarHBondContact O-N 2.96Å; E51-Q55 VanDerWaalsContact O-N 3.13Å; W52-Q55 WeakPolarHBondContact O-CB 3.28Å; W52-Q55 PolarHBondContact O-N 3.42Å; W52-Q55 VanDerWaalsContact O-N 3.14Å; M53-Q55 VanDerWaalsContact C-N 3.35Å; M53-Q55 PolarHBondContact O-N 3.27Å; Q55-P59 WeakPolarHBondContact O-CD 3.22Å
56	E	97.3	Very high	95.2	Very high	89 Å²	89	68.8 Å²	68.8	42%	0.416	36%	0.356	S	S	.	.	H	α-helix	trans	-69.9	-37.3	-178.4	-65.5	-62.6	137.7	0	0	112.8	P13 W52 M53 K54	P13-E56 HydrophobicContact CB-CB 3.65Å; P13-E56 HydrophobicContact CB-CG 4.22Å; P13-E56 HydrophobicContact CG-CB 3.85Å; P13-E56 HydrophobicContact CG-CG 3.89Å; W52-E56 HydrophobicContact CD2-CG 4.46Å; W52-E56 HydrophobicContact CZ2-CG 4.29Å; W52-E56 WeakPolarHBondContact O-CG 3.31Å; W52-E56 PolarHBondContact O-N 2.96Å; W52-E56 VanDerWaalsContact O-N 3.09Å; M53-E56 PolarHBondContact O-N 3.34Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-E56 PolarHBondContact O-N 3.46Å
57	I	96.8	Very high	95.5	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-89.3	-20.3	-176.8	72.2	-177.1	0	0	0	113.7	V16 I17 M53 K54 T60 M61	V16-I57 HydrophobicContact CB-CG2 4.12Å; V16-I57 HydrophobicContact CG1-CD1 4.47Å; V16-I57 HydrophobicContact CG1-CG2 3.86Å; I17-I57 HydrophobicContact CG1-CG2 4.25Å; M53-I57 HydrophobicContact CG-CD1 4.42Å; M53-I57 HydrophobicContact CG-CG2 4.43Å; M53-I57 VanDerWaalsContact O-CG1 3.31Å; M53-I57 WeakPolarHBondContact O-CG1 3.42Å; M53-I57 WeakPolarHBondContact O-CG2 3.42Å; M53-I57 PolarHBondContact O-N 3.41Å; M53-I57 HydrophobicContact SD-CG2 3.85Å; K54-I57 PolarHBondContact O-N 3.33Å; I57-T60 WeakPolarHBondContact O-CA 3.35Å; I57-T60 WeakPolarHBondContact O-CB 3.4Å; I57-T60 PolarHBondContact O-N 2.95Å; I57-M61 HydrophobicContact CD1-SD 3.98Å; I57-M61 HydrophobicContact CG1-CG 4.44Å; I57-M61 HydrophobicContact CG1-SD 3.94Å; I57-M61 PolarHBondContact O-N 2.8Å
58	E	95.5	Very high	95.6	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-54.1	-44.2	-175.7	177.6	177.6	-170.7	0	0	113.8	K54 T60 M61 K62	K54-E58 WeakPolarHBondContact O-CB 3.29Å; K54-E58 PolarHBondContact O-N 2.96Å; E58-T60 VanDerWaalsContact C-N 3.27Å; E58-T60 PolarHBondContact O-N 3.19Å; E58-M61 PolarHBondContact O-N 3.12Å; E58-K62 HydrophobicContact CG-CD 4.22Å; E58-K62 WeakPolarHBondContact O-CG 3.16Å; E58-K62 PolarHBondContact O-N 2.77Å; E58-K62 WeakPolarHBondContact OE1-CE 3.44Å; E58-K62 IonicContact OE1-NZ 3.13Å; E58-K62 PolarHBondContact OE1-NZ 2.9Å
59	P	97.2	Very high	95.6	Very high	83 Å²	83	57.8 Å²	57.8	54%	0.539	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-38.7	175.9	-24.7	34.7	0	0	0	112.8	Q55 Q63	Q55-P59 WeakPolarHBondContact O-CD 3.22Å; P59-Q63 WeakPolarHBondContact O-CB 3.46Å; P59-Q63 PolarHBondContact O-N 2.75Å
60	T	96.7	Very high	95.5	Very high	12 Å²	12	60.7 Å²	60.7	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-70.4	-41.7	177.2	-63.6	0	0	0	0	110.8	I17 L20 K21 I57 E58 K62 Q63 L64	I17-T60 HydrophobicContact CG1-CG2 4.49Å; I17-T60 HydrophobicContact CG2-CG2 4.03Å; L20-T60 HydrophobicContact CB-CG2 4.44Å; L20-T60 HydrophobicContact CD1-CG2 4.42Å; K21-T60 HydrophobicContact CG-CG2 4.47Å; I57-T60 WeakPolarHBondContact O-CA 3.35Å; I57-T60 WeakPolarHBondContact O-CB 3.4Å; I57-T60 PolarHBondContact O-N 2.95Å; E58-T60 VanDerWaalsContact C-N 3.27Å; E58-T60 PolarHBondContact O-N 3.19Å; T60-K62 PolarHBondContact O-N 2.94Å; T60-Q63 PolarHBondContact O-N 3.31Å; T60-L64 HydrophobicContact CG2-CD1 3.75Å; T60-L64 HydrophobicContact CG2-CG 4.19Å; T60-L64 WeakPolarHBondContact O-CB 3.46Å; T60-L64 VanDerWaalsContact O-CG 3.25Å; T60-L64 WeakPolarHBondContact O-CG 3.16Å; T60-L64 PolarHBondContact O-N 3.01Å
61	M	96.3	Very high	95.4	Very high	14 Å²	14	66 Å²	66	7%	0.069	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176.7	-70	-176.8	65.5	0	0	111.4	L20 I57 E58 Q63 L64 G65 L66 P67	L20-M61 HydrophobicContact CD1-CG 4Å; I57-M61 HydrophobicContact CD1-SD 3.98Å; I57-M61 HydrophobicContact CG1-CG 4.44Å; I57-M61 HydrophobicContact CG1-SD 3.94Å; I57-M61 PolarHBondContact O-N 2.8Å; E58-M61 PolarHBondContact O-N 3.12Å; M61-Q63 PolarHBondContact O-N 3.34Å; M61-L64 PolarHBondContact O-N 2.64Å; M61-G65 PolarHBondContact O-N 2.83Å; M61-L66 HydrophobicContact CB-CB 4.27Å; M61-L66 HydrophobicContact CE-CB 4.29Å; M61-L66 PolarHBondContact O-N 3.01Å; M61-P67 WeakPolarHBondContact CE-O 3.41Å
62	K	96.3	Very high	95.3	Very high	146 Å²	146	63.8 Å²	63.8	64%	0.635	32%	0.323	S	S	*	.	H	α-helix	trans	-60.2	-44.8	175.3	-72.1	178.3	-177.8	168	0	112.1	E58 T60 L64 G65	E58-K62 HydrophobicContact CG-CD 4.22Å; E58-K62 WeakPolarHBondContact O-CG 3.16Å; E58-K62 PolarHBondContact O-N 2.77Å; E58-K62 WeakPolarHBondContact OE1-CE 3.44Å; E58-K62 IonicContact OE1-NZ 3.13Å; E58-K62 PolarHBondContact OE1-NZ 2.9Å; T60-K62 PolarHBondContact O-N 2.94Å; K62-L64 VanDerWaalsContact C-N 3.3Å; K62-L64 PolarHBondContact O-N 3.37Å; K62-G65 PolarHBondContact O-N 3.26Å
63	Q	96.2	Very high	95	Very high	148 Å²	148	59.9 Å²	59.9	69%	0.692	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-39.5	177	-176.7	-173.4	-4.9	0	0	112.4	P59 T60 M61 G65	P59-Q63 WeakPolarHBondContact O-CB 3.46Å; P59-Q63 PolarHBondContact O-N 2.75Å; T60-Q63 PolarHBondContact O-N 3.31Å; M61-Q63 PolarHBondContact O-N 3.34Å; Q63-G65 VanDerWaalsContact C-N 3.33Å
64	L	96.1	Very high	94.6	Very high	25 Å²	25	65.3 Å²	65.3	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-82.3	-12.1	-177.5	-64.2	179.3	0	0	0	113.4	L20 K21 K24 T60 M61 K62 L66	L20-L64 HydrophobicContact CB-CD1 3.82Å; K21-L64 HydrophobicContact CG-CD1 4.41Å; K24-L64 HydrophobicContact CB-CD2 3.94Å; K24-L64 HydrophobicContact CD-CD2 4.44Å; K24-L64 HydrophobicContact CG-CD2 3.9Å; K24-L64 PolarHBondContact NZ-O 2.96Å; T60-L64 HydrophobicContact CG2-CD1 3.75Å; T60-L64 HydrophobicContact CG2-CG 4.19Å; T60-L64 WeakPolarHBondContact O-CB 3.46Å; T60-L64 VanDerWaalsContact O-CG 3.25Å; T60-L64 WeakPolarHBondContact O-CG 3.16Å; T60-L64 PolarHBondContact O-N 3.01Å; M61-L64 PolarHBondContact O-N 2.64Å; K62-L64 VanDerWaalsContact C-N 3.3Å; K62-L64 PolarHBondContact O-N 3.37Å; L64-L66 HydrophobicContact CB-CD1 4.27Å; L64-L66 HydrophobicContact CB-CG 4.07Å; L64-L66 HydrophobicContact CD1-CD1 4.21Å
65	G	95.2	Very high	94.1	Very high	59 Å²	59	65.3 Å²	65.3	61%	0.608	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	31.2	-174.1	0	0	0	0	0	112.9	M61 K62 Q63	M61-G65 PolarHBondContact O-N 2.83Å; K62-G65 PolarHBondContact O-N 3.26Å; Q63-G65 VanDerWaalsContact C-N 3.33Å
66	L	95.5	Very high	93.5	Very high	25 Å²	25	63.6 Å²	63.6	13%	0.131	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-84.2	126.3	177.7	-69	174.4	0	0	0	109.9	L20 I29 A32 M61 L64	L20-L66 HydrophobicContact CB-CD1 4.41Å; L20-L66 HydrophobicContact CD1-CD1 4.5Å; L20-L66 HydrophobicContact CD2-CD1 3.96Å; I29-L66 HydrophobicContact CD1-CD2 4.42Å; I29-L66 HydrophobicContact CG1-CD2 3.89Å; A32-L66 HydrophobicContact CB-CD1 3.96Å; A32-L66 HydrophobicContact CB-CD2 3.72Å; M61-L66 HydrophobicContact CB-CB 4.27Å; M61-L66 HydrophobicContact CE-CB 4.29Å; M61-L66 PolarHBondContact O-N 3.01Å; L64-L66 HydrophobicContact CB-CD1 4.27Å; L64-L66 HydrophobicContact CB-CG 4.07Å; L64-L66 HydrophobicContact CD1-CD1 4.21Å
67	P	94.6	Very high	92.6	Very high	36 Å²	36	63.5 Å²	63.5	23%	0.234	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.9	152.2	171.4	31.6	-37	0	0	0	110.3	I33 M61 E71 L72	I33-P67 HydrophobicContact CD1-CG 4.46Å; M61-P67 WeakPolarHBondContact CE-O 3.41Å; P67-E71 WeakPolarHBondContact CA-OE2 3.18Å; P67-L72 HydrophobicContact CB-CD1 4.32Å; P67-L72 HydrophobicContact CB-CD2 4.11Å; P67-L72 HydrophobicContact CB-CG 3.99Å; P67-L72 HydrophobicContact CG-CD1 3.73Å; P67-L72 HydrophobicContact CG-CD2 3.89Å; P67-L72 HydrophobicContact CG-CG 3.88Å
68	T	93.4	Very high	91.8	Very high	36 Å²	36	71.2 Å²	71.2	22%	0.221	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-72.8	158.8	171.3	61.2	0	0	0	0	110.8	E70 E71 L72	T68-E70 WeakPolarHBondContact CB-OE2 3.01Å; T68-E70 PolarHBondContact O-N 3.13Å; T68-E71 PolarHBondContact N-OE2 3.42Å; T68-E71 PolarHBondContact O-N 3.2Å; T68-E71 WeakPolarHBondContact OG1-CB 3.5Å; T68-E71 WeakPolarHBondContact OG1-CG 3.13Å; T68-E71 PolarHBondContact OG1-N 3.24Å; T68-E71 PolarHBondContact OG1-OE2 2.81Å; T68-L72 PolarHBondContact O-N 3.31Å
69	L	92.6	Very high	91.2	Very high	4 Å²	4	75.3 Å²	75.3	2%	0.021	41%	0.408	C	S	.	.	H	α-helix	trans	-63.4	-34.1	176.3	-62.8	-179.2	0	0	0	111.2	I33 V36 E37 K40 W50 L72 G73 Y74 D75	I33-L69 HydrophobicContact CG2-CD2 3.93Å; V36-L69 HydrophobicContact CG1-CD1 4.04Å; V36-L69 HydrophobicContact CG1-CD2 4.46Å; V36-L69 HydrophobicContact CG1-CG 4.09Å; E37-L69 HydrophobicContact CB-CD1 4.5Å; E37-L69 HydrophobicContact CG-CD1 3.96Å; E37-L69 HydrophobicContact CG-CD2 3.53Å; E37-L69 HydrophobicContact CG-CG 4.41Å; K40-L69 HydrophobicContact CB-CD1 4.49Å; K40-L69 HydrophobicContact CD-CD1 3.9Å; W50-L69 HydrophobicContact CZ2-CD1 4.47Å; L69-L72 PolarHBondContact O-N 3.34Å; L69-G73 PolarHBondContact O-N 3.45Å; L69-G73 VanDerWaalsContact O-N 3.08Å; L69-Y74 PolarHBondContact O-N 3.46Å; L69-D75 PolarHBondContact O-N 3.09Å
70	E	92.4	Very high	90.4	Very high	77 Å²	77	74.5 Å²	74.5	36%	0.36	41%	0.408	S	S	.	.	H	α-helix	trans	-67.6	-40	177.2	-61.5	83.9	177.2	0	0	112.3	K54 T68 L72 G73 D75	K54-E70 IonicContact NZ-OE1 2.66Å; K54-E70 PolarHBondContact NZ-OE1 3.42Å; K54-E70 IonicContact NZ-OE2 2.8Å; K54-E70 PolarHBondContact NZ-OE2 3.31Å; T68-E70 WeakPolarHBondContact CB-OE2 3.01Å; T68-E70 PolarHBondContact O-N 3.13Å; E70-L72 PolarHBondContact O-N 2.94Å; E70-G73 PolarHBondContact O-N 3Å; E70-D75 HydrophobicContact CG-CB 4.19Å
71	E	92.8	Very high	89.7	Confident	141 Å²	141	80.2 Å²	80.2	66%	0.659	44%	0.443	S	S	*	.	H	α-helix	trans	-64.4	-28.8	174.9	-76.4	164.1	151.9	0	0	112.7	P67 T68	P67-E71 WeakPolarHBondContact CA-OE2 3.18Å; T68-E71 PolarHBondContact N-OE2 3.42Å; T68-E71 PolarHBondContact O-N 3.2Å; T68-E71 WeakPolarHBondContact OG1-CB 3.5Å; T68-E71 WeakPolarHBondContact OG1-CG 3.13Å; T68-E71 PolarHBondContact OG1-N 3.24Å; T68-E71 PolarHBondContact OG1-OE2 2.81Å
72	L	92.5	Very high	88.8	Confident	62 Å²	62	85.1 Å²	85.1	33%	0.325	47%	0.468	S	S	.	.	H	α-helix	trans	-87.8	-12	177.4	-66.8	178.1	0	0	0	113.8	I33 P67 T68 L69 E70 Y74	I33-L72 HydrophobicContact CD1-CD1 3.59Å; I33-L72 HydrophobicContact CG1-CD1 3.96Å; I33-L72 HydrophobicContact CG2-CD1 3.96Å; P67-L72 HydrophobicContact CB-CD1 4.32Å; P67-L72 HydrophobicContact CB-CD2 4.11Å; P67-L72 HydrophobicContact CB-CG 3.99Å; P67-L72 HydrophobicContact CG-CD1 3.73Å; P67-L72 HydrophobicContact CG-CD2 3.89Å; P67-L72 HydrophobicContact CG-CG 3.88Å; T68-L72 PolarHBondContact O-N 3.31Å; L69-L72 PolarHBondContact O-N 3.34Å; E70-L72 PolarHBondContact O-N 2.94Å; L72-Y74 HydrophobicContact CB-CD2 3.6Å; L72-Y74 HydrophobicContact CB-CE2 3.97Å; L72-Y74 HydrophobicContact CB-CG 4.05Å; L72-Y74 HydrophobicContact CD1-CD2 3.75Å; L72-Y74 HydrophobicContact CD1-CE2 3.95Å; L72-Y74 HydrophobicContact CG-CD2 4.32Å; L72-Y74 HydrophobicContact CG-CE2 4.48Å; L72-Y74 PolarHBondContact O-N 3.25Å
73	G	90.4	Very high	88	Confident	35 Å²	35	82.5 Å²	82.5	36%	0.361	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	18.1	-170.4	0	0	0	0	0	114.1	L69 E70 D75	L69-G73 PolarHBondContact O-N 3.45Å; L69-G73 VanDerWaalsContact O-N 3.08Å; E70-G73 PolarHBondContact O-N 3Å; G73-D75 VanDerWaalsContact C-N 3.33Å
74	Y	88.1	Confident	87.2	Confident	113 Å²	113	84.8 Å²	84.8	44%	0.443	47%	0.465	S	S	.	.			trans	-96.4	16.1	176.1	-60.5	-31.6	0	0	0	112.4	I33 L69 L72 T76	I33-Y74 HydrophobicContact CG2-CD2 4.1Å; L69-Y74 PolarHBondContact O-N 3.46Å; L72-Y74 HydrophobicContact CB-CD2 3.6Å; L72-Y74 HydrophobicContact CB-CE2 3.97Å; L72-Y74 HydrophobicContact CB-CG 4.05Å; L72-Y74 HydrophobicContact CD1-CD2 3.75Å; L72-Y74 HydrophobicContact CD1-CE2 3.95Å; L72-Y74 HydrophobicContact CG-CD2 4.32Å; L72-Y74 HydrophobicContact CG-CE2 4.48Å; L72-Y74 PolarHBondContact O-N 3.25Å; Y74-T76 VanDerWaalsContact C-N 3.25Å
75	D	85.2	Confident	86.4	Confident	66 Å²	66	91.1 Å²	91.1	35%	0.353	50%	0.499	S	S	.	.	S	Bend	trans	-68.2	-30.9	174.2	67	-68.3	0	0	0	111.8	K40 L69 E70 G73	K40-D75 PolarHBondContact NZ-O 3.48Å; L69-D75 PolarHBondContact O-N 3.09Å; E70-D75 HydrophobicContact CG-CB 4.19Å; G73-D75 VanDerWaalsContact C-N 3.33Å
76	T	82.2	Confident	84.7	Confident	90 Å²	90	97.8 Å²	97.8	55%	0.552	52%	0.52	S	S	*	.	S	Bend	trans	-122.2	126.3	178.7	-59.5	0	0	0	0	109.3	Y74 E78	Y74-T76 VanDerWaalsContact C-N 3.25Å; T76-E78 PolarHBondContact O-N 3.14Å
77	P	79.5	Confident	84.2	Confident	88 Å²	88	101.4 Å²	101.4	57%	0.571	54%	0.54	S	S	*	.			trans	-69	123.8	-179.6	27.7	-34.2	0	0	0	111.1	L79 A80	P77-L79 VanDerWaalsContact C-N 3.32Å; P77-L79 PolarHBondContact O-N 3.16Å; P77-A80 HydrophobicContact CB-CB 3.71Å; P77-A80 HydrophobicContact CG-CB 3.44Å; P77-A80 VanDerWaalsContact CG-CB 3.44Å
78	E	78.1	Confident	83.6	Confident	162 Å²	162	104.8 Å²	104.8	76%	0.757	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-33.4	-178.5	-62.4	-179.5	172.8	0	0	113.3	T76	T76-E78 PolarHBondContact O-N 3.14Å
79	L	83.9	Confident	83.1	Confident	159 Å²	159	108.7 Å²	108.7	83%	0.832	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	24.5	-171.8	-58.9	177.7	0	0	0	112.8	P77 V81	P77-L79 VanDerWaalsContact C-N 3.32Å; P77-L79 PolarHBondContact O-N 3.16Å; L79-V81 PolarHBondContact O-N 3.29Å; L79-V81 VanDerWaalsContact O-N 3.14Å
80	A	80.1	Confident	82.5	Confident	66 Å²	66	114.8 Å²	114.8	55%	0.545	61%	0.607	S	S	.	*			trans	-65.3	117.4	173.4	0	0	0	0	0	109.5	P77	P77-A80 HydrophobicContact CB-CB 3.71Å; P77-A80 HydrophobicContact CG-CB 3.44Å; P77-A80 VanDerWaalsContact CG-CB 3.44Å
81	V	81.9	Confident	81.9	Confident	132 Å²	132	117.2 Å²	117.2	80%	0.8	62%	0.623	S	S	*	*			trans	-70.4	138.3	167.8	-174.2	0	0	0	0	107.2	L79 D83	L79-V81 PolarHBondContact O-N 3.29Å; L79-V81 VanDerWaalsContact O-N 3.14Å; V81-D83 PolarHBondContact O-N 3.48Å; V81-D83 VanDerWaalsContact O-N 3.14Å
82	I	78.2	Confident	81.2	Confident	117 Å²	117	115.6 Å²	115.6	60%	0.6	62%	0.62	S	S	*	*			trans	-65.4	114	169.8	-60.5	172.3	0	0	0	106.3	Y84	I82-Y84 HydrophobicContact CB-CE2 4.44Å; I82-Y84 HydrophobicContact CG2-CD1 4.33Å; I82-Y84 HydrophobicContact CG2-CE1 4.23Å; I82-Y84 HydrophobicContact CG2-CE2 4.48Å; I82-Y84 HydrophobicContact CG2-CG 4.5Å; I82-Y84 PolarHBondContact O-N 3.02Å
83	D	78.8	Confident	80.4	Confident	91 Å²	91	119.4 Å²	119.4	49%	0.487	64%	0.641	S	S	.	*			trans	-72.9	117.6	164.5	-158.8	-25	0	0	0	106.9	V81 D85 D86	V81-D83 PolarHBondContact O-N 3.48Å; V81-D83 VanDerWaalsContact O-N 3.14Å; D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact OD1-N 3.08Å; D83-D86 HydrophobicContact CB-CB 4.34Å
84	Y	80.9	Confident	79.6	Confident	197 Å²	197	125.9 Å²	125.9	77%	0.773	66%	0.663	S	S	*	*	S	Bend	trans	-83.1	-9.2	179.2	-71.9	-82.5	0	0	0	111.8	I82	I82-Y84 HydrophobicContact CB-CE2 4.44Å; I82-Y84 HydrophobicContact CG2-CD1 4.33Å; I82-Y84 HydrophobicContact CG2-CE1 4.23Å; I82-Y84 HydrophobicContact CG2-CE2 4.48Å; I82-Y84 HydrophobicContact CG2-CG 4.5Å; I82-Y84 PolarHBondContact O-N 3.02Å
85	D	78.7	Confident	78.9	Confident	157 Å²	157	127 Å²	127	84%	0.84	68%	0.681	S	S	*	*			trans	-97	-3.9	-178.7	-65.6	-34.4	0	0	0	113.3	D83	D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact OD1-N 3.08Å
86	D	59.2	Low	78.3	Confident	199 Å²	199	132.5 Å²	132.5	100%	1.064	71%	0.711	S	S	*	*			trans	-94.2	0	170.4	-83.4	-21.3	0	0	0	112.5	D83	D83-D86 HydrophobicContact CB-CB 4.34Å

Retrieved 86 of 86 residues in 69.7 ms (Link to these results)

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