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Cytochrome c oxidase subunit 3

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 A0A075X871, Species HUMAN (Homo sapiens, Human), Gene COX3, Length 143 aa.

						>A0A075X871_HUMAN|A0A075X871|COX3
MTHQSHAYHMVKPSPWPLTGALSALLMTSGLAMWFHFHSMTLLMLGLLTNTLTMYQWWRDVTRESTYQGHHTPPVQKGLRYGMILFITSEVFFFAGFFWAFYHSSLAPTPQLGGHWPPTGITPLNPLEVPLLNTSVLLASGVS
					

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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	51.8	Low	85.2	Confident	237 Å²	237	120.6 Å²	120.6	100%	1.167	64%	0.635	S	S	*	*				0	107.9	0	-69.8	-177.9	168.5	0	0	107.6
2	T	71.8	Confident	85.9	Confident	157 Å²	157	122.7 Å²	122.7	96%	0.963	64%	0.635	S	S	*	*			trans	-98.4	-5.9	-173.9	45.8	0	0	0	0	113.2
3	H	76.6	Confident	86.8	Confident	161 Å²	161	123.8 Å²	123.8	75%	0.745	66%	0.655	S	S	*	*	S	Bend	trans	-120.3	139.9	-177.6	-160	-82	0	0	0	110.5
4	Q	83.8	Confident	87.5	Confident	101 Å²	101	118.5 Å²	118.5	47%	0.472	63%	0.633	S	S	.	*			trans	-67.9	137.9	174.7	61.1	-174.7	-2.1	0	0	110.8
5	S	90.2	Very high	88.1	Confident	124 Å²	124	115.4 Å²	115.4	87%	0.867	62%	0.622	S	S	*	*			trans	-107.8	0.4	178	56.6	0	0	0	0	113.4
6	H	92.8	Very high	88.7	Confident	81 Å²	81	110 Å²	110	38%	0.375	59%	0.59	S	S	.	*	S	Bend	trans	-111.8	157.9	177.7	61	56.8	0	0	0	111.8	Y8	H6-Y8 VanDerWaalsContact C-N 3.34Å; H6-Y8 HydrophobicContact CB-CD2 4.24Å; H6-Y8 PolarHBondContact ND1-N 3.39Å; H6-Y8 PolarHBondContact ND1-O 3.39Å; H6-Y8 PolarHBondContact O-N 3.5Å
7	A	92.4	Very high	89.3	Confident	49 Å²	49	107.7 Å²	107.7	41%	0.405	58%	0.582	S	S	.	*	S	Bend	trans	-85.9	1	-179.9	0	0	0	0	0	114.4	T72 P74	A7-T72 PolarHBondContact O-OG1 3.3Å; A7-P74 HydrophobicContact CB-CG 4.04Å
8	Y	95.3	Very high	89.7	Confident	152 Å²	152	108.2 Å²	108.2	60%	0.596	58%	0.584	S	S	*	*	S	Bend	trans	-76.2	151.4	179.3	-64.3	-68.7	0	0	0	113	H6	H6-Y8 VanDerWaalsContact C-N 3.34Å; H6-Y8 HydrophobicContact CB-CD2 4.24Å; H6-Y8 PolarHBondContact ND1-N 3.39Å; H6-Y8 PolarHBondContact ND1-O 3.39Å; H6-Y8 PolarHBondContact O-N 3.5Å
9	H	94.2	Very high	90.2	Very high	39 Å²	39	104.9 Å²	104.9	18%	0.181	57%	0.568	C	S	.	*			trans	-86.8	119.9	177.9	-179.4	-159.8	0	0	0	111	V11 E64 H70 V75	H9-V11 PolarHBondContact O-N 2.86Å; H9-E64 IonicContact CE1-OE2 3.4Å; H9-E64 PolarHBondContact CE1-OE2 2.86Å; H9-H70 HydrophobicContact CB-CB 4.39Å; H9-H70 AromaticContact CD2-CD2 3.88Å; H9-H70 AromaticContact CD2-CG 3.67Å; H9-H70 AromaticContact NE2-CD2 3.43Å; H9-H70 PolarHBondContact NE2-CD2 2.94Å; H9-H70 AromaticContact NE2-CG 3.67Å; H9-V75 HydrophobicContact CB-CG2 4.14Å
10	M	94.8	Very high	90.6	Very high	134 Å²	134	100.6 Å²	100.6	66%	0.66	55%	0.549	S	S	*	.			trans	-91	94.8	170.7	-61.7	-59.1	-68.4	0	0	109.6
11	V	94	Very high	90.9	Very high	92 Å²	92	98.8 Å²	98.8	56%	0.558	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.2	-177.5	-172.8	0	0	0	0	110.4	H9	H9-V11 PolarHBondContact O-N 2.86Å
12	K	93.6	Very high	93.1	Very high	145 Å²	145	91.8 Å²	91.8	63%	0.63	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-71.8	153.4	176.2	-65.8	-179.8	-175.6	173.7	0	110.7	S14	K12-S14 PolarHBondContact O-N 3.46Å
13	P	96.6	Very high	94.4	Very high	138 Å²	138	84.4 Å²	84.4	90%	0.896	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-52.4	129.3	172.3	-26.1	35	0	0	0	111.2
14	S	96.6	Very high	95.4	Very high	49 Å²	49	78.8 Å²	78.8	34%	0.343	45%	0.451	S	S	.	.			trans	-131	141.3	-175.2	173.7	0	0	0	0	110.8	K12 W16 P17	K12-S14 PolarHBondContact O-N 3.46Å; S14-W16 VanDerWaalsContact C-N 3.3Å; S14-W16 VanDerWaalsContact OG-CG 3.3Å; S14-W16 PolarHBondContact OG-N 3.36Å; S14-W16 PolarHBondContact OG-NE1 2.97Å; S14-P17 WeakPolarHBondContact O-CD 3.49Å
15	P	97.1	Very high	96.1	Very high	72 Å²	72	79 Å²	79	47%	0.468	45%	0.454	S	S	.	.	S	Bend	trans	-79.7	-9.5	176.3	33.7	-36.1	0	0	0	113.5	L18 T19	P15-L18 PolarHBondContact O-N 3.28Å; P15-T19 PolarHBondContact O-N 3.04Å; P15-T19 PolarHBondContact O-OG1 3.11Å
16	W	97.7	Very high	96.5	Very high	29 Å²	29	75.1 Å²	75.1	11%	0.11	42%	0.424	C	S	.	.	H	α-helix	trans	-63	-37.5	-172.5	-49	136.1	0	0	0	114.7	S14 L18 T19 G20 T53 Q56 W57 D60	S14-W16 VanDerWaalsContact C-N 3.3Å; S14-W16 VanDerWaalsContact OG-CG 3.3Å; S14-W16 PolarHBondContact OG-N 3.36Å; S14-W16 PolarHBondContact OG-NE1 2.97Å; W16-L18 PolarHBondContact O-N 3.42Å; W16-T19 VanDerWaalsContact CA-OG1 3.31Å; W16-T19 WeakPolarHBondContact CA-OG1 3.22Å; W16-T19 PolarHBondContact O-N 3.15Å; W16-T19 PolarHBondContact O-OG1 3.35Å; W16-T19 VanDerWaalsContact O-OG1 3.12Å; W16-G20 PolarHBondContact O-N 3.4Å; W16-T53 HydrophobicContact CB-CG2 4.22Å; W16-T53 WeakPolarHBondContact O-CG2 3.22Å; W16-Q56 HydrophobicContact CD2-CB 4.1Å; W16-Q56 HydrophobicContact CE3-CB 4.05Å; W16-Q56 HydrophobicContact CH2-CB 3.59Å; W16-Q56 HydrophobicContact CH2-CG 3.98Å; W16-Q56 HydrophobicContact CZ2-CB 3.58Å; W16-Q56 HydrophobicContact CZ2-CG 4.34Å; W16-Q56 HydrophobicContact CZ3-CB 3.8Å; W16-Q56 HydrophobicContact CZ3-CG 4.27Å; W16-W57 HydrophobicContact CB-CB 3.99Å; W16-W57 HydrophobicContact CB-CD2 3.6Å; W16-W57 HydrophobicContact CB-CE3 3.49Å; W16-W57 VanDerWaalsContact CB-CE3 3.49Å; W16-W57 HydrophobicContact CB-CG 3.85Å; W16-W57 HydrophobicContact CB-CZ3 4.15Å; W16-W57 AromaticContact CD1-CG 3.95Å; W16-W57 HydrophobicContact CG-CB 3.97Å; W16-W57 HydrophobicContact CG-CD2 4.4Å; W16-W57 HydrophobicContact CG-CG 4.14Å; W16-D60 PolarHBondContact NE1-OD2 3.44Å
17	P	98.1	Very high	96.8	Very high	71 Å²	71	73.2 Å²	73.2	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-40.5	174.2	-25.1	35.6	0	0	0	113.4	S14 A21 W57	S14-P17 WeakPolarHBondContact O-CD 3.49Å; P17-A21 WeakPolarHBondContact O-CB 3.22Å; P17-A21 PolarHBondContact O-N 2.99Å; P17-W57 HydrophobicContact CB-CH2 4.29Å; P17-W57 HydrophobicContact CG-CH2 3.85Å; P17-W57 HydrophobicContact CG-CZ2 4.22Å; P17-W57 HydrophobicContact CG-CZ3 4.41Å
18	L	98.1	Very high	97.1	Very high	116 Å²	116	75.2 Å²	75.2	61%	0.607	42%	0.423	S	S	*	.	H	α-helix	trans	-68.4	-47.5	179	176.7	63.8	0	0	0	111.2	P15 W16 G20 A21 L22	P15-L18 PolarHBondContact O-N 3.28Å; W16-L18 PolarHBondContact O-N 3.42Å; L18-G20 VanDerWaalsContact C-N 3.3Å; L18-G20 PolarHBondContact O-N 3.49Å; L18-A21 PolarHBondContact O-N 3.1Å; L18-L22 HydrophobicContact CD1-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CG 4.5Å; L18-L22 HydrophobicContact CG-CD1 4.27Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.3Å
19	T	97.8	Very high	97.2	Very high	47 Å²	47	69.9 Å²	69.9	29%	0.288	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-35.1	179.3	47.9	0	0	0	0	111.9	P15 W16 L22 S23	P15-T19 PolarHBondContact O-N 3.04Å; P15-T19 PolarHBondContact O-OG1 3.11Å; W16-T19 VanDerWaalsContact CA-OG1 3.31Å; W16-T19 WeakPolarHBondContact CA-OG1 3.22Å; W16-T19 PolarHBondContact O-N 3.15Å; W16-T19 PolarHBondContact O-OG1 3.35Å; W16-T19 VanDerWaalsContact O-OG1 3.12Å; T19-L22 PolarHBondContact O-N 2.97Å; T19-S23 WeakPolarHBondContact O-CB 3.48Å; T19-S23 PolarHBondContact O-N 2.96Å; T19-S23 PolarHBondContact O-OG 2.64Å
20	G	98.1	Very high	97.4	Very high	18 Å²	18	68 Å²	68	19%	0.186	40%	0.399	C	S	.	.	H	α-helix	trans	-68.3	-39	172.7	0	0	0	0	0	113.8	W16 L18 S23 A24	W16-G20 PolarHBondContact O-N 3.4Å; L18-G20 VanDerWaalsContact C-N 3.3Å; L18-G20 PolarHBondContact O-N 3.49Å; G20-S23 WeakPolarHBondContact CA-OG 3.44Å; G20-S23 PolarHBondContact O-N 3Å; G20-S23 PolarHBondContact O-OG 3.48Å; G20-A24 PolarHBondContact O-N 2.71Å
21	A	98.4	Very high	97.6	Very high	63 Å²	63	65 Å²	65	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-64.9	-41.7	174.2	0	0	0	0	0	111.6	P17 L18 A24 L25	P17-A21 WeakPolarHBondContact O-CB 3.22Å; P17-A21 PolarHBondContact O-N 2.99Å; L18-A21 PolarHBondContact O-N 3.1Å; A21-A24 PolarHBondContact O-N 3.48Å; A21-L25 PolarHBondContact O-N 2.95Å; A21-L25 VanDerWaalsContact O-N 3.15Å
22	L	98.1	Very high	97.8	Very high	90 Å²	90	62.8 Å²	62.8	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-66.4	-40.6	175.4	-70.5	172.7	0	0	0	111.9	L18 T19 A24 L25 L26	L18-L22 HydrophobicContact CD1-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CG 4.5Å; L18-L22 HydrophobicContact CG-CD1 4.27Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.3Å; T19-L22 PolarHBondContact O-N 2.97Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.41Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 2.91Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 3.02Å
23	S	98.2	Very high	98	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.007	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-38.7	176.7	67.7	0	0	0	0	111.9	T19 G20 L25 L26 M27 T49 N50	T19-S23 WeakPolarHBondContact O-CB 3.48Å; T19-S23 PolarHBondContact O-N 2.96Å; T19-S23 PolarHBondContact O-OG 2.64Å; G20-S23 WeakPolarHBondContact CA-OG 3.44Å; G20-S23 PolarHBondContact O-N 3Å; G20-S23 PolarHBondContact O-OG 3.48Å; S23-L25 PolarHBondContact O-N 3.47Å; S23-L26 PolarHBondContact O-N 3.43Å; S23-M27 WeakPolarHBondContact O-CG 3.3Å; S23-M27 PolarHBondContact O-N 2.95Å; S23-T49 WeakPolarHBondContact CB-OG1 3.42Å; S23-N50 PolarHBondContact OG-OD1 2.88Å; S23-N50 VanDerWaalsContact OG-OD1 3.13Å
24	A	98.4	Very high	98.1	Very high	44 Å²	44	56.7 Å²	56.7	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-41.1	174.2	0	0	0	0	0	112.5	G20 A21 L22 M27 T28	G20-A24 PolarHBondContact O-N 2.71Å; A21-A24 PolarHBondContact O-N 3.48Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.41Å; A24-M27 PolarHBondContact O-N 3.21Å; A24-T28 WeakPolarHBondContact O-CG2 3.35Å; A24-T28 PolarHBondContact O-N 3.39Å; A24-T28 PolarHBondContact O-OG1 3.17Å
25	L	98.4	Very high	98.2	Very high	105 Å²	105	61 Å²	61	55%	0.55	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-46	173.5	176.4	63.9	0	0	0	111.5	A21 L22 S23 M27 T28 S29	A21-L25 PolarHBondContact O-N 2.95Å; A21-L25 VanDerWaalsContact O-N 3.15Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 2.91Å; S23-L25 PolarHBondContact O-N 3.47Å; L25-M27 VanDerWaalsContact C-N 3.35Å; L25-M27 PolarHBondContact O-N 3.49Å; L25-T28 PolarHBondContact O-N 3.28Å; L25-T28 PolarHBondContact O-OG1 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.38Å; L25-S29 PolarHBondContact O-N 2.95Å; L25-S29 PolarHBondContact O-OG 3.3Å
26	L	98.3	Very high	98.2	Very high	43 Å²	43	64.7 Å²	64.7	23%	0.225	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-39.2	178.5	-67.6	174.4	0	0	0	112.1	L22 S23 S29 G30 L42 L45	L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 3.02Å; S23-L26 PolarHBondContact O-N 3.43Å; L26-S29 PolarHBondContact O-OG 3.35Å; L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.4Å; L26-G30 PolarHBondContact O-N 2.92Å; L26-L42 HydrophobicContact CD2-CD1 3.61Å; L26-L42 HydrophobicContact CD2-CG 4.33Å; L26-L45 HydrophobicContact CD1-CD2 4.39Å; L26-L45 HydrophobicContact CD1-CG 4.33Å
27	M	98.5	Very high	98.2	Very high	41 Å²	41	70.3 Å²	70.3	20%	0.202	39%	0.385	C	S	.	.	H	α-helix	trans	-67.8	-46.9	177.6	-72.6	-173	-63.3	0	0	112.2	S23 A24 L25 G30 L31 L47 N50	S23-M27 WeakPolarHBondContact O-CG 3.3Å; S23-M27 PolarHBondContact O-N 2.95Å; A24-M27 PolarHBondContact O-N 3.21Å; L25-M27 VanDerWaalsContact C-N 3.35Å; L25-M27 PolarHBondContact O-N 3.49Å; M27-G30 PolarHBondContact O-N 2.97Å; M27-L31 WeakPolarHBondContact O-CG 3.26Å; M27-L31 PolarHBondContact O-N 3.4Å; M27-L47 HydrophobicContact SD-CD2 3.94Å; M27-N50 HydrophobicContact CE-CB 3.97Å; M27-N50 HydrophobicContact SD-CB 3.96Å
28	T	98.4	Very high	98.2	Very high	91 Å²	91	74.8 Å²	74.8	56%	0.558	40%	0.399	S	S	*	.	H	α-helix	trans	-68.4	-46.3	-178.1	51	0	0	0	0	112.2	A24 L25 G30 L31 A32	A24-T28 WeakPolarHBondContact O-CG2 3.35Å; A24-T28 PolarHBondContact O-N 3.39Å; A24-T28 PolarHBondContact O-OG1 3.17Å; L25-T28 PolarHBondContact O-N 3.28Å; L25-T28 PolarHBondContact O-OG1 3.31Å; T28-G30 VanDerWaalsContact C-N 3.31Å; T28-G30 PolarHBondContact O-N 3.36Å; T28-L31 PolarHBondContact O-N 3.23Å; T28-A32 PolarHBondContact O-N 2.97Å
29	S	98.1	Very high	98.2	Very high	40 Å²	40	71 Å²	71	28%	0.28	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-33.9	172.5	60.1	0	0	0	0	112.3	L25 L26 A32 M33 L42	L25-S29 WeakPolarHBondContact O-CB 3.38Å; L25-S29 PolarHBondContact O-N 2.95Å; L25-S29 PolarHBondContact O-OG 3.3Å; L26-S29 PolarHBondContact O-OG 3.35Å; S29-A32 PolarHBondContact O-N 3.42Å; S29-M33 WeakPolarHBondContact O-CB 3.38Å; S29-M33 WeakPolarHBondContact O-CG 3.35Å; S29-M33 PolarHBondContact O-N 3.17Å; S29-L42 WeakPolarHBondContact OG-CD2 3.48Å
30	G	98.4	Very high	98.2	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.8	-40	174.8	0	0	0	0	0	113.4	L26 M27 T28 M33 W34	L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.4Å; L26-G30 PolarHBondContact O-N 2.92Å; M27-G30 PolarHBondContact O-N 2.97Å; T28-G30 VanDerWaalsContact C-N 3.31Å; T28-G30 PolarHBondContact O-N 3.36Å; G30-M33 PolarHBondContact O-N 3.31Å; G30-W34 WeakPolarHBondContact O-CB 3.45Å; G30-W34 PolarHBondContact O-N 3.43Å
31	L	98.4	Very high	98.2	Very high	69 Å²	69	77.5 Å²	77.5	36%	0.361	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-43.6	172.2	-77.2	172.9	0	0	0	111.5	M27 T28 M33 W34 F35 L43	M27-L31 WeakPolarHBondContact O-CG 3.26Å; M27-L31 PolarHBondContact O-N 3.4Å; T28-L31 PolarHBondContact O-N 3.23Å; L31-M33 VanDerWaalsContact C-N 3.34Å; L31-M33 PolarHBondContact O-N 3.39Å; L31-W34 HydrophobicContact CD2-CE3 3.97Å; L31-W34 HydrophobicContact CD2-CZ3 4.31Å; L31-W34 PolarHBondContact O-N 3.28Å; L31-F35 HydrophobicContact CB-CE2 4.49Å; L31-F35 HydrophobicContact CD2-CZ 4.47Å; L31-F35 WeakPolarHBondContact O-CD2 3.27Å; L31-F35 WeakPolarHBondContact O-CG 3.44Å; L31-F35 PolarHBondContact O-N 3.27Å; L31-L43 HydrophobicContact CD2-CD1 4.06Å; L31-L43 HydrophobicContact CD2-CD2 3.93Å; L31-L43 HydrophobicContact CG-CD1 3.95Å
32	A	98.4	Very high	98.1	Very high	47 Å²	47	76.9 Å²	76.9	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175	0	0	0	0	0	111.7	T28 S29 W34 F35 H36	T28-A32 PolarHBondContact O-N 2.97Å; S29-A32 PolarHBondContact O-N 3.42Å; A32-W34 VanDerWaalsContact C-N 3.32Å; A32-W34 PolarHBondContact O-N 3.2Å; A32-F35 PolarHBondContact O-N 3.27Å; A32-H36 WeakPolarHBondContact O-CB 3.29Å; A32-H36 PolarHBondContact O-CD2 2.7Å; A32-H36 PolarHBondContact O-N 2.92Å
33	M	98.3	Very high	98.1	Very high	69 Å²	69	73.7 Å²	73.7	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-38.8	175.1	-77.2	-69.1	-71.7	0	0	112.5	S29 G30 L31 F37 H38 S39 L42	S29-M33 WeakPolarHBondContact O-CB 3.38Å; S29-M33 WeakPolarHBondContact O-CG 3.35Å; S29-M33 PolarHBondContact O-N 3.17Å; G30-M33 PolarHBondContact O-N 3.31Å; L31-M33 VanDerWaalsContact C-N 3.34Å; L31-M33 PolarHBondContact O-N 3.39Å; M33-F37 HydrophobicContact CE-CB 4.4Å; M33-F37 CarbonylContact O-C 3.35Å; M33-F37 VanDerWaalsContact O-CA 3.3Å; M33-F37 WeakPolarHBondContact O-CA 3.34Å; M33-F37 WeakPolarHBondContact O-CB 3.38Å; M33-F37 PolarHBondContact O-N 3.13Å; M33-F37 HydrophobicContact SD-CB 4.43Å; M33-F37 HydrophobicContact SD-CD2 3.61Å; M33-F37 HydrophobicContact SD-CE2 4.16Å; M33-F37 HydrophobicContact SD-CG 4.22Å; M33-H38 PolarHBondContact O-N 2.96Å; M33-S39 CarbonylContact C-O 3.56Å; M33-S39 PolarHBondContact O-N 3.45Å; M33-L42 HydrophobicContact CG-CD2 4.18Å
34	W	98.5	Very high	98.1	Very high	86 Å²	86	79.4 Å²	79.4	33%	0.326	41%	0.412	S	S	.	.	H	α-helix	trans	-66.9	-48.8	177.1	176.1	38.4	0	0	0	111.7	G30 L31 A32 H38 S39 M40 L43	G30-W34 WeakPolarHBondContact O-CB 3.45Å; G30-W34 PolarHBondContact O-N 3.43Å; L31-W34 HydrophobicContact CD2-CE3 3.97Å; L31-W34 HydrophobicContact CD2-CZ3 4.31Å; L31-W34 PolarHBondContact O-N 3.28Å; A32-W34 VanDerWaalsContact C-N 3.32Å; A32-W34 PolarHBondContact O-N 3.2Å; W34-H38 VanDerWaalsContact O-CA 3.28Å; W34-H38 WeakPolarHBondContact O-CA 3.37Å; W34-H38 PolarHBondContact O-N 3.36Å; W34-H38 VanDerWaalsContact O-N 3.12Å; W34-S39 WeakPolarHBondContact CA-O 3.42Å; W34-S39 PolarHBondContact N-O 3.21Å; W34-M40 HydrophobicContact CD2-CE 4.36Å; W34-M40 HydrophobicContact CG-CE 4.48Å; W34-M40 HydrophobicContact CG-CG 4.04Å; W34-M40 HydrophobicContact CZ2-CE 3.87Å; W34-L43 HydrophobicContact CE3-CD2 4.24Å
35	F	98.3	Very high	98.1	Very high	139 Å²	139	81.5 Å²	81.5	61%	0.61	42%	0.417	S	S	*	.	H	α-helix	trans	-69.9	-33.1	-177.1	-66.4	-36.5	0	0	0	114.1	L31 A32	L31-F35 HydrophobicContact CB-CE2 4.49Å; L31-F35 HydrophobicContact CD2-CZ 4.47Å; L31-F35 WeakPolarHBondContact O-CD2 3.27Å; L31-F35 WeakPolarHBondContact O-CG 3.44Å; L31-F35 PolarHBondContact O-N 3.27Å; A32-F35 PolarHBondContact O-N 3.27Å
36	H	98.1	Very high	98.1	Very high	149 Å²	149	76.5 Å²	76.5	69%	0.69	39%	0.391	S	S	*	.	H	α-helix	trans	-102.1	-28.9	-175.6	-67.5	-70.3	0	0	0	114.6	A32	A32-H36 WeakPolarHBondContact O-CB 3.29Å; A32-H36 PolarHBondContact O-CD2 2.7Å; A32-H36 PolarHBondContact O-N 2.92Å
37	F	97.5	Very high	98.1	Very high	148 Å²	148	78.3 Å²	78.3	65%	0.649	40%	0.4	S	S	*	.	H	α-helix	trans	-124	6.5	-173.7	-55.7	-84.3	0	0	0	113.1	M33 S39	M33-F37 HydrophobicContact CE-CB 4.4Å; M33-F37 CarbonylContact O-C 3.35Å; M33-F37 VanDerWaalsContact O-CA 3.3Å; M33-F37 WeakPolarHBondContact O-CA 3.34Å; M33-F37 WeakPolarHBondContact O-CB 3.38Å; M33-F37 PolarHBondContact O-N 3.13Å; M33-F37 HydrophobicContact SD-CB 4.43Å; M33-F37 HydrophobicContact SD-CD2 3.61Å; M33-F37 HydrophobicContact SD-CE2 4.16Å; M33-F37 HydrophobicContact SD-CG 4.22Å; F37-S39 PolarHBondContact O-N 3.36Å
38	H	96.9	Very high	98.1	Very high	165 Å²	165	81 Å²	81	76%	0.764	42%	0.415	S	S	*	.			trans	56.5	21.7	177.2	-153.5	74.8	0	0	0	114.8	M33 W34	M33-H38 PolarHBondContact O-N 2.96Å; W34-H38 VanDerWaalsContact O-CA 3.28Å; W34-H38 WeakPolarHBondContact O-CA 3.37Å; W34-H38 PolarHBondContact O-N 3.36Å; W34-H38 VanDerWaalsContact O-N 3.12Å
39	S	97.8	Very high	98.1	Very high	35 Å²	35	78.6 Å²	78.6	25%	0.245	40%	0.4	C	S	.	.			trans	-106.7	121.7	179.4	-177.8	0	0	0	0	111.1	M33 W34 F37 T41	M33-S39 CarbonylContact C-O 3.56Å; M33-S39 PolarHBondContact O-N 3.45Å; W34-S39 WeakPolarHBondContact CA-O 3.42Å; W34-S39 PolarHBondContact N-O 3.21Å; F37-S39 PolarHBondContact O-N 3.36Å; S39-T41 PolarHBondContact OG-OG1 2.9Å
40	M	97.9	Very high	98.1	Very high	95 Å²	95	78.6 Å²	78.6	47%	0.468	40%	0.397	S	S	.	.			trans	-95.5	-4.7	178.6	-66.2	-179.8	177.1	0	0	113.6	W34 L42 L43 M44	W34-M40 HydrophobicContact CD2-CE 4.36Å; W34-M40 HydrophobicContact CG-CE 4.48Å; W34-M40 HydrophobicContact CG-CG 4.04Å; W34-M40 HydrophobicContact CZ2-CE 3.87Å; M40-L42 VanDerWaalsContact C-N 3.32Å; M40-L42 PolarHBondContact O-N 2.98Å; M40-L43 PolarHBondContact O-N 2.96Å; M40-L43 VanDerWaalsContact O-N 3.14Å; M40-M44 HydrophobicContact CB-CG 4.42Å; M40-M44 WeakPolarHBondContact O-CG 3.34Å; M40-M44 PolarHBondContact O-N 3.36Å
41	T	97.9	Very high	98.1	Very high	108 Å²	108	82.1 Å²	82.1	66%	0.663	42%	0.419	S	S	*	.	H	α-helix	trans	-58.2	-44.7	-170.4	55.6	0	0	0	0	112.3	S39 M44 L45	S39-T41 PolarHBondContact OG-OG1 2.9Å; T41-M44 PolarHBondContact O-N 3.46Å; T41-L45 PolarHBondContact O-N 2.86Å; T41-L45 VanDerWaalsContact O-N 3.09Å
42	L	97.7	Very high	98.1	Very high	50 Å²	50	82.8 Å²	82.8	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-68.5	-39.2	179.5	-165.4	67.3	0	0	0	112.1	L26 S29 M33 M40 L45 G46	L26-L42 HydrophobicContact CD2-CD1 3.61Å; L26-L42 HydrophobicContact CD2-CG 4.33Å; S29-L42 WeakPolarHBondContact OG-CD2 3.48Å; M33-L42 HydrophobicContact CG-CD2 4.18Å; M40-L42 VanDerWaalsContact C-N 3.32Å; M40-L42 PolarHBondContact O-N 2.98Å; L42-L45 PolarHBondContact O-N 2.76Å; L42-G46 PolarHBondContact O-N 3.07Å
43	L	98.4	Very high	98.1	Very high	22 Å²	22	80.9 Å²	80.9	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-46.4	175.9	179.3	60	0	0	0	111.3	L31 W34 M40 L45 G46 L47	L31-L43 HydrophobicContact CD2-CD1 4.06Å; L31-L43 HydrophobicContact CD2-CD2 3.93Å; L31-L43 HydrophobicContact CG-CD1 3.95Å; W34-L43 HydrophobicContact CE3-CD2 4.24Å; M40-L43 PolarHBondContact O-N 2.96Å; M40-L43 VanDerWaalsContact O-N 3.14Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.42Å; L43-G46 PolarHBondContact O-N 3Å; L43-G46 VanDerWaalsContact O-N 3.17Å; L43-L47 HydrophobicContact CD1-CD1 4.37Å; L43-L47 HydrophobicContact CD1-CG 4.37Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 WeakPolarHBondContact O-CG 3.08Å; L43-L47 PolarHBondContact O-N 3.43Å
44	M	98.4	Very high	98.1	Very high	122 Å²	122	80.8 Å²	80.8	60%	0.601	41%	0.405	S	S	*	.	H	α-helix	trans	-63.2	-39.3	178.9	-66.4	-61.3	-82.6	0	0	111.7	M40 T41 L47 L48	M40-M44 HydrophobicContact CB-CG 4.42Å; M40-M44 WeakPolarHBondContact O-CG 3.34Å; M40-M44 PolarHBondContact O-N 3.36Å; T41-M44 PolarHBondContact O-N 3.46Å; M44-L47 PolarHBondContact O-N 3.03Å; M44-L47 HydrophobicContact SD-CD1 4.42Å; M44-L48 WeakPolarHBondContact O-CB 3.25Å; M44-L48 PolarHBondContact O-N 3.34Å
45	L	98.1	Very high	98.1	Very high	87 Å²	87	84.2 Å²	84.2	46%	0.455	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-42	173.2	-176.7	65.4	0	0	0	111.9	L26 T41 L42 L43 L48 T49	L26-L45 HydrophobicContact CD1-CD2 4.39Å; L26-L45 HydrophobicContact CD1-CG 4.33Å; T41-L45 PolarHBondContact O-N 2.86Å; T41-L45 VanDerWaalsContact O-N 3.09Å; L42-L45 PolarHBondContact O-N 2.76Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.42Å; L45-L48 PolarHBondContact O-N 3.04Å; L45-T49 HydrophobicContact CD1-CG2 4.32Å; L45-T49 WeakPolarHBondContact O-CG2 3.41Å; L45-T49 PolarHBondContact O-N 3.24Å; L45-T49 PolarHBondContact O-OG1 3.15Å
46	G	98.3	Very high	98.1	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-59.9	-46.7	174.9	0	0	0	0	0	112.5	L42 L43 L48 T49 N50	L42-G46 PolarHBondContact O-N 3.07Å; L43-G46 PolarHBondContact O-N 3Å; L43-G46 VanDerWaalsContact O-N 3.17Å; G46-L48 PolarHBondContact O-N 3.44Å; G46-T49 PolarHBondContact O-N 3.43Å; G46-T49 PolarHBondContact O-OG1 3.02Å; G46-T49 VanDerWaalsContact O-OG1 3.05Å; G46-N50 WeakPolarHBondContact O-CB 3.46Å; G46-N50 PolarHBondContact O-N 3.25Å
47	L	98.4	Very high	98.2	Very high	81 Å²	81	78.3 Å²	78.3	42%	0.424	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-42.9	176.7	-70.6	170.3	0	0	0	112	M27 L43 M44 N50 T51	M27-L47 HydrophobicContact SD-CD2 3.94Å; L43-L47 HydrophobicContact CD1-CD1 4.37Å; L43-L47 HydrophobicContact CD1-CG 4.37Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 WeakPolarHBondContact O-CG 3.08Å; L43-L47 PolarHBondContact O-N 3.43Å; M44-L47 PolarHBondContact O-N 3.03Å; M44-L47 HydrophobicContact SD-CD1 4.42Å; L47-N50 PolarHBondContact O-N 3.24Å; L47-T51 WeakPolarHBondContact O-CG2 3.46Å; L47-T51 PolarHBondContact O-N 3.45Å; L47-T51 PolarHBondContact O-OG1 3.31Å
48	L	98.4	Very high	98.2	Very high	99 Å²	99	79.2 Å²	79.2	52%	0.518	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-49.9	176.8	179.9	64.7	0	0	0	111.8	M44 L45 G46 N50 T51 L52	M44-L48 WeakPolarHBondContact O-CB 3.25Å; M44-L48 PolarHBondContact O-N 3.34Å; L45-L48 PolarHBondContact O-N 3.04Å; G46-L48 PolarHBondContact O-N 3.44Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.35Å; L48-T51 PolarHBondContact O-N 3.4Å; L48-T51 PolarHBondContact O-OG1 3.19Å; L48-L52 HydrophobicContact CD1-CD1 4.3Å; L48-L52 HydrophobicContact CD1-CG 4.49Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 2.87Å
49	T	98.1	Very high	98.3	Very high	40 Å²	40	75 Å²	75	25%	0.245	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-35.4	179.5	51.9	0	0	0	0	112.1	S23 L45 G46 T53	S23-T49 WeakPolarHBondContact CB-OG1 3.42Å; L45-T49 HydrophobicContact CD1-CG2 4.32Å; L45-T49 WeakPolarHBondContact O-CG2 3.41Å; L45-T49 PolarHBondContact O-N 3.24Å; L45-T49 PolarHBondContact O-OG1 3.15Å; G46-T49 PolarHBondContact O-N 3.43Å; G46-T49 PolarHBondContact O-OG1 3.02Å; G46-T49 VanDerWaalsContact O-OG1 3.05Å; T49-T53 WeakPolarHBondContact O-CB 3.34Å; T49-T53 PolarHBondContact O-N 3Å; T49-T53 PolarHBondContact O-OG1 3.41Å
50	N	98.5	Very high	98.3	Very high	40 Å²	40	74.9 Å²	74.9	21%	0.214	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-48.6	175.9	-168.2	64.9	0	0	0	111.9	S23 M27 G46 L47 L48 L52 T53 M54	S23-N50 PolarHBondContact OG-OD1 2.88Å; S23-N50 VanDerWaalsContact OG-OD1 3.13Å; M27-N50 HydrophobicContact CE-CB 3.97Å; M27-N50 HydrophobicContact SD-CB 3.96Å; G46-N50 WeakPolarHBondContact O-CB 3.46Å; G46-N50 PolarHBondContact O-N 3.25Å; L47-N50 PolarHBondContact O-N 3.24Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.35Å; N50-L52 PolarHBondContact O-N 3.19Å; N50-T53 PolarHBondContact O-N 3.01Å; N50-M54 WeakPolarHBondContact ND2-CE 3.42Å; N50-M54 WeakPolarHBondContact O-CG 3.43Å; N50-M54 PolarHBondContact O-N 2.96Å
51	T	98.4	Very high	98.3	Very high	74 Å²	74	72.6 Å²	72.6	45%	0.454	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-41.8	178	50.5	0	0	0	0	112.3	L47 L48 T53 M54 Y55	L47-T51 WeakPolarHBondContact O-CG2 3.46Å; L47-T51 PolarHBondContact O-N 3.45Å; L47-T51 PolarHBondContact O-OG1 3.31Å; L48-T51 PolarHBondContact O-N 3.4Å; L48-T51 PolarHBondContact O-OG1 3.19Å; T51-T53 VanDerWaalsContact C-N 3.33Å; T51-T53 PolarHBondContact O-N 3.42Å; T51-M54 HydrophobicContact CG2-CE 4.18Å; T51-M54 PolarHBondContact O-N 3.23Å; T51-Y55 WeakPolarHBondContact O-CB 3.31Å; T51-Y55 PolarHBondContact O-N 2.83Å
52	L	98.3	Very high	98.3	Very high	82 Å²	82	70.7 Å²	70.7	43%	0.429	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-39.9	174	-71.8	173.8	0	0	0	112.3	L48 N50 Q56	L48-L52 HydrophobicContact CD1-CD1 4.3Å; L48-L52 HydrophobicContact CD1-CG 4.49Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 2.87Å; N50-L52 PolarHBondContact O-N 3.19Å; L52-Q56 WeakPolarHBondContact O-CB 3.42Å; L52-Q56 VanDerWaalsContact O-CG 3.32Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.01Å; L52-Q56 PolarHBondContact O-NE2 3.27Å
53	T	98.6	Very high	98.3	Very high	8 Å²	8	73.5 Å²	73.5	5%	0.049	35%	0.349	C	S	.	.	H	α-helix	trans	-65.1	-49.7	177.9	-58.6	0	0	0	0	110.7	W16 T49 N50 T51 Y55 Q56 W57	W16-T53 HydrophobicContact CB-CG2 4.22Å; W16-T53 WeakPolarHBondContact O-CG2 3.22Å; T49-T53 WeakPolarHBondContact O-CB 3.34Å; T49-T53 PolarHBondContact O-N 3Å; T49-T53 PolarHBondContact O-OG1 3.41Å; N50-T53 PolarHBondContact O-N 3.01Å; T51-T53 VanDerWaalsContact C-N 3.33Å; T51-T53 PolarHBondContact O-N 3.42Å; T53-Y55 PolarHBondContact O-N 2.99Å; T53-Q56 PolarHBondContact O-N 3.08Å; T53-W57 HydrophobicContact CG2-CE3 4.26Å; T53-W57 VanDerWaalsContact O-CB 3.22Å; T53-W57 WeakPolarHBondContact O-CB 3.35Å; T53-W57 PolarHBondContact O-N 3.39Å
54	M	98.4	Very high	98.3	Very high	66 Å²	66	74.1 Å²	74.1	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-45.8	177.8	-70.8	-172.6	-61.4	0	0	111.9	N50 T51 W57 W58	N50-M54 WeakPolarHBondContact ND2-CE 3.42Å; N50-M54 WeakPolarHBondContact O-CG 3.43Å; N50-M54 PolarHBondContact O-N 2.96Å; T51-M54 HydrophobicContact CG2-CE 4.18Å; T51-M54 PolarHBondContact O-N 3.23Å; M54-W57 PolarHBondContact O-N 3.19Å; M54-W58 HydrophobicContact CB-CE3 3.97Å; M54-W58 HydrophobicContact CB-CH2 4.11Å; M54-W58 HydrophobicContact CB-CZ3 3.68Å; M54-W58 HydrophobicContact CG-CH2 4.26Å; M54-W58 HydrophobicContact CG-CZ3 4.32Å; M54-W58 PolarHBondContact O-N 3.46Å; M54-W58 HydrophobicContact SD-CH2 3.93Å; M54-W58 HydrophobicContact SD-CZ3 4.25Å
55	Y	98.4	Very high	98.2	Very high	158 Å²	158	69.9 Å²	69.9	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-59.4	-50.2	178.2	173.5	-108	0	0	0	112.2	T51 T53 R59	T51-Y55 WeakPolarHBondContact O-CB 3.31Å; T51-Y55 PolarHBondContact O-N 2.83Å; T53-Y55 PolarHBondContact O-N 2.99Å; Y55-R59 VanDerWaalsContact O-CB 3.22Å; Y55-R59 WeakPolarHBondContact O-CB 3.27Å; Y55-R59 PolarHBondContact O-N 3.07Å
56	Q	98.3	Very high	98.1	Very high	53 Å²	53	70.3 Å²	70.3	25%	0.248	34%	0.34	C	S	.	.	H	α-helix	trans	-69.9	-37.1	-177.4	-69.4	169.6	98.8	0	0	112.1	W16 L52 T53 R59 D60	W16-Q56 HydrophobicContact CD2-CB 4.1Å; W16-Q56 HydrophobicContact CE3-CB 4.05Å; W16-Q56 HydrophobicContact CH2-CB 3.59Å; W16-Q56 HydrophobicContact CH2-CG 3.98Å; W16-Q56 HydrophobicContact CZ2-CB 3.58Å; W16-Q56 HydrophobicContact CZ2-CG 4.34Å; W16-Q56 HydrophobicContact CZ3-CB 3.8Å; W16-Q56 HydrophobicContact CZ3-CG 4.27Å; L52-Q56 WeakPolarHBondContact O-CB 3.42Å; L52-Q56 VanDerWaalsContact O-CG 3.32Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.01Å; L52-Q56 PolarHBondContact O-NE2 3.27Å; T53-Q56 PolarHBondContact O-N 3.08Å; Q56-R59 WeakPolarHBondContact O-CB 3.47Å; Q56-D60 VanDerWaalsContact O-CG 3.31Å; Q56-D60 PolarHBondContact O-N 2.99Å
57	W	98.6	Very high	98	Very high	111 Å²	111	78.9 Å²	78.9	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-51.2	177.4	-162.6	-21.9	0	0	0	111.1	W16 P17 T53 M54 R59 D60 V61	W16-W57 HydrophobicContact CB-CB 3.99Å; W16-W57 HydrophobicContact CB-CD2 3.6Å; W16-W57 HydrophobicContact CB-CE3 3.49Å; W16-W57 VanDerWaalsContact CB-CE3 3.49Å; W16-W57 HydrophobicContact CB-CG 3.85Å; W16-W57 HydrophobicContact CB-CZ3 4.15Å; W16-W57 AromaticContact CD1-CG 3.95Å; W16-W57 HydrophobicContact CG-CB 3.97Å; W16-W57 HydrophobicContact CG-CD2 4.4Å; W16-W57 HydrophobicContact CG-CG 4.14Å; P17-W57 HydrophobicContact CB-CH2 4.29Å; P17-W57 HydrophobicContact CG-CH2 3.85Å; P17-W57 HydrophobicContact CG-CZ2 4.22Å; P17-W57 HydrophobicContact CG-CZ3 4.41Å; T53-W57 HydrophobicContact CG2-CE3 4.26Å; T53-W57 VanDerWaalsContact O-CB 3.22Å; T53-W57 WeakPolarHBondContact O-CB 3.35Å; T53-W57 PolarHBondContact O-N 3.39Å; M54-W57 PolarHBondContact O-N 3.19Å; W57-R59 VanDerWaalsContact C-N 3.31Å; W57-R59 PolarHBondContact O-N 3.32Å; W57-D60 PolarHBondContact O-N 2.93Å; W57-D60 VanDerWaalsContact O-N 3.08Å; W57-V61 PolarHBondContact O-N 3.43Å
58	W	98.3	Very high	97.8	Very high	168 Å²	168	79.5 Å²	79.5	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-67.4	-31.4	178.8	-71	-40.2	0	0	0	113.3	M54 D60 V61 T62	M54-W58 HydrophobicContact CB-CE3 3.97Å; M54-W58 HydrophobicContact CB-CH2 4.11Å; M54-W58 HydrophobicContact CB-CZ3 3.68Å; M54-W58 HydrophobicContact CG-CH2 4.26Å; M54-W58 HydrophobicContact CG-CZ3 4.32Å; M54-W58 PolarHBondContact O-N 3.46Å; M54-W58 HydrophobicContact SD-CH2 3.93Å; M54-W58 HydrophobicContact SD-CZ3 4.25Å; W58-D60 VanDerWaalsContact C-N 3.29Å; W58-D60 PolarHBondContact O-N 3.4Å; W58-V61 PolarHBondContact O-N 3.43Å; W58-T62 WeakPolarHBondContact O-CB 3.26Å; W58-T62 PolarHBondContact O-N 3.24Å; W58-T62 PolarHBondContact O-OG1 3.12Å
59	R	98.3	Very high	97.7	Very high	76 Å²	76	77.4 Å²	77.4	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-44.3	169.6	-179.1	-158	71.7	-169.1	-3.4	111	Y55 Q56 W57 T62 R63	Y55-R59 VanDerWaalsContact O-CB 3.22Å; Y55-R59 WeakPolarHBondContact O-CB 3.27Å; Y55-R59 PolarHBondContact O-N 3.07Å; Q56-R59 WeakPolarHBondContact O-CB 3.47Å; W57-R59 VanDerWaalsContact C-N 3.31Å; W57-R59 PolarHBondContact O-N 3.32Å; R59-T62 WeakPolarHBondContact O-CB 3.39Å; R59-T62 PolarHBondContact O-N 2.99Å; R59-R63 WeakPolarHBondContact O-CG 3.25Å; R59-R63 PolarHBondContact O-N 3.47Å
60	D	98	Very high	97.5	Very high	32 Å²	32	78.4 Å²	78.4	17%	0.171	38%	0.378	C	S	.	.	H	α-helix	trans	-70.8	-39.3	-178.9	-68.6	-9.2	0	0	0	111.7	W16 Q56 W57 W58 T62 R63 E64	W16-D60 PolarHBondContact NE1-OD2 3.44Å; Q56-D60 VanDerWaalsContact O-CG 3.31Å; Q56-D60 PolarHBondContact O-N 2.99Å; W57-D60 PolarHBondContact O-N 2.93Å; W57-D60 VanDerWaalsContact O-N 3.08Å; W58-D60 VanDerWaalsContact C-N 3.29Å; W58-D60 PolarHBondContact O-N 3.4Å; D60-T62 VanDerWaalsContact C-N 3.28Å; D60-T62 PolarHBondContact O-N 2.78Å; D60-R63 WeakPolarHBondContact O-CA 3.22Å; D60-R63 WeakPolarHBondContact O-CB 3.31Å; D60-R63 PolarHBondContact O-N 2.89Å; D60-R63 IonicContact OD1-NH1 3.36Å; D60-R63 PolarHBondContact OD1-NH1 3.03Å; D60-E64 VanDerWaalsContact O-CG 3.29Å; D60-E64 WeakPolarHBondContact O-CG 3.22Å; D60-E64 PolarHBondContact O-N 3.07Å
61	V	98.1	Very high	97.4	Very high	47 Å²	47	78.3 Å²	78.3	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-58.9	-39.9	170.6	175.1	0	0	0	0	111.6	W57 W58 R63 E64 S65	W57-V61 PolarHBondContact O-N 3.43Å; W58-V61 PolarHBondContact O-N 3.43Å; V61-R63 VanDerWaalsContact C-N 3.29Å; V61-R63 PolarHBondContact O-N 3.29Å; V61-E64 PolarHBondContact O-N 2.94Å; V61-S65 WeakPolarHBondContact O-CB 3.38Å; V61-S65 PolarHBondContact O-N 3.37Å; V61-S65 PolarHBondContact O-OG 3.4Å
62	T	98.1	Very high	97.4	Very high	69 Å²	69	76.9 Å²	76.9	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-37.3	175.2	-55.6	0	0	0	0	111.3	W58 R59 D60 S65 T66	W58-T62 WeakPolarHBondContact O-CB 3.26Å; W58-T62 PolarHBondContact O-N 3.24Å; W58-T62 PolarHBondContact O-OG1 3.12Å; R59-T62 WeakPolarHBondContact O-CB 3.39Å; R59-T62 PolarHBondContact O-N 2.99Å; D60-T62 VanDerWaalsContact C-N 3.28Å; D60-T62 PolarHBondContact O-N 2.78Å; T62-S65 WeakPolarHBondContact CA-OG 3.5Å; T62-S65 PolarHBondContact O-OG 3.48Å; T62-T66 VanDerWaalsContact O-CB 3.27Å; T62-T66 WeakPolarHBondContact O-CB 3.43Å; T62-T66 PolarHBondContact O-N 3.43Å; T62-T66 PolarHBondContact O-OG1 3.2Å
63	R	97.9	Very high	97.3	Very high	108 Å²	108	77.9 Å²	77.9	41%	0.408	38%	0.379	S	S	.	.	I	π-helix	trans	-70.2	-44.9	176.9	-68.6	165.1	170.5	-174.5	-6.2	112.6	R59 D60 V61 S65 Y67 Q68	R59-R63 WeakPolarHBondContact O-CG 3.25Å; R59-R63 PolarHBondContact O-N 3.47Å; D60-R63 WeakPolarHBondContact O-CA 3.22Å; D60-R63 WeakPolarHBondContact O-CB 3.31Å; D60-R63 PolarHBondContact O-N 2.89Å; D60-R63 IonicContact OD1-NH1 3.36Å; D60-R63 PolarHBondContact OD1-NH1 3.03Å; V61-R63 VanDerWaalsContact C-N 3.29Å; V61-R63 PolarHBondContact O-N 3.29Å; R63-S65 VanDerWaalsContact C-N 3.28Å; R63-S65 PolarHBondContact O-N 2.91Å; R63-Y67 HydrophobicContact CB-CD2 4.08Å; R63-Y67 HydrophobicContact CG-CD2 3.86Å; R63-Y67 HydrophobicContact CG-CE2 4.17Å; R63-Y67 PolarHBondContact O-N 2.95Å; R63-Q68 PolarHBondContact O-N 3.35Å
64	E	97.6	Very high	97.2	Very high	36 Å²	36	80.3 Å²	80.3	17%	0.168	40%	0.395	C	S	.	.	I	π-helix	trans	-61.5	-37.6	178.4	-71.6	167.2	-179.3	0	0	111.7	H9 D60 V61 G69 H70	H9-E64 IonicContact CE1-OE2 3.4Å; H9-E64 PolarHBondContact CE1-OE2 2.86Å; D60-E64 VanDerWaalsContact O-CG 3.29Å; D60-E64 WeakPolarHBondContact O-CG 3.22Å; D60-E64 PolarHBondContact O-N 3.07Å; V61-E64 PolarHBondContact O-N 2.94Å; E64-G69 PolarHBondContact O-N 2.75Å; E64-H70 WeakPolarHBondContact O-CB 3.42Å; E64-H70 PolarHBondContact O-N 3.1Å
65	S	96.1	Very high	97.2	Very high	32 Å²	32	78.2 Å²	78.2	22%	0.224	39%	0.386	C	S	.	.	I	π-helix	trans	-76.6	-63	176	54	0	0	0	0	112.8	V61 T62 R63 G69 H71	V61-S65 WeakPolarHBondContact O-CB 3.38Å; V61-S65 PolarHBondContact O-N 3.37Å; V61-S65 PolarHBondContact O-OG 3.4Å; T62-S65 WeakPolarHBondContact CA-OG 3.5Å; T62-S65 PolarHBondContact O-OG 3.48Å; R63-S65 VanDerWaalsContact C-N 3.28Å; R63-S65 PolarHBondContact O-N 2.91Å; S65-G69 WeakPolarHBondContact O-CA 3.38Å; S65-G69 PolarHBondContact O-N 3.37Å; S65-G69 VanDerWaalsContact O-N 3.17Å; S65-H71 WeakPolarHBondContact CB-ND1 3.32Å
66	T	96.8	Very high	97.2	Very high	96 Å²	96	74.8 Å²	74.8	59%	0.589	38%	0.375	S	S	*	.	I	π-helix	trans	-80.4	-41.3	-165	-53	0	0	0	0	112.6	T62	T62-T66 VanDerWaalsContact O-CB 3.27Å; T62-T66 WeakPolarHBondContact O-CB 3.43Å; T62-T66 PolarHBondContact O-N 3.43Å; T62-T66 PolarHBondContact O-OG1 3.2Å
67	Y	96.3	Very high	97.2	Very high	181 Å²	181	78.1 Å²	78.1	71%	0.71	39%	0.389	S	S	*	.	I	π-helix	trans	-97.4	-25	-173.8	-53.9	-55.9	0	0	0	113.2	R63	R63-Y67 HydrophobicContact CB-CD2 4.08Å; R63-Y67 HydrophobicContact CG-CD2 3.86Å; R63-Y67 HydrophobicContact CG-CE2 4.17Å; R63-Y67 PolarHBondContact O-N 2.95Å
68	Q	95.3	Very high	97.2	Very high	94 Å²	94	74.7 Å²	74.7	44%	0.439	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-14.6	-179	-60.7	174.8	3.1	0	0	113.6	R63 H70	R63-Q68 PolarHBondContact O-N 3.35Å; Q68-H70 VanDerWaalsContact C-N 3.33Å; Q68-H70 PolarHBondContact O-N 3.49Å; Q68-H70 PolarHBondContact OE1-CD2 3Å; Q68-H70 VanDerWaalsContact OE1-CD2 3.31Å; Q68-H70 PolarHBondContact OE1-NE2 2.71Å
69	G	94.4	Very high	97.2	Very high	54 Å²	54	71.1 Å²	71.1	56%	0.557	38%	0.381	S	S	*	.			trans	70.7	21.9	174	0	0	0	0	0	114.9	E64 S65 H71	E64-G69 PolarHBondContact O-N 2.75Å; S65-G69 WeakPolarHBondContact O-CA 3.38Å; S65-G69 PolarHBondContact O-N 3.37Å; S65-G69 VanDerWaalsContact O-N 3.17Å; G69-H71 PolarHBondContact O-N 3.02Å
70	H	95.1	Very high	97.2	Very high	61 Å²	61	75.6 Å²	75.6	28%	0.282	40%	0.398	S	S	.	.			trans	-75	-8.9	-176	-67.5	-41.4	0	0	0	114.4	H9 E64 Q68 T72	H9-H70 HydrophobicContact CB-CB 4.39Å; H9-H70 AromaticContact CD2-CD2 3.88Å; H9-H70 AromaticContact CD2-CG 3.67Å; H9-H70 AromaticContact NE2-CD2 3.43Å; H9-H70 PolarHBondContact NE2-CD2 2.94Å; H9-H70 AromaticContact NE2-CG 3.67Å; E64-H70 WeakPolarHBondContact O-CB 3.42Å; E64-H70 PolarHBondContact O-N 3.1Å; Q68-H70 VanDerWaalsContact C-N 3.33Å; Q68-H70 PolarHBondContact O-N 3.49Å; Q68-H70 PolarHBondContact OE1-CD2 3Å; Q68-H70 VanDerWaalsContact OE1-CD2 3.31Å; Q68-H70 PolarHBondContact OE1-NE2 2.71Å; H70-T72 PolarHBondContact O-N 2.91Å; H70-T72 VanDerWaalsContact O-N 3.1Å
71	H	96.8	Very high	97.2	Very high	39 Å²	39	80.4 Å²	80.4	18%	0.181	42%	0.415	C	S	.	.			trans	-87.4	68.4	-178.5	-74.9	-152.9	0	0	0	112.2	S65 G69 Q76	S65-H71 WeakPolarHBondContact CB-ND1 3.32Å; G69-H71 PolarHBondContact O-N 3.02Å; H71-Q76 HydrophobicContact CB-CG 4.2Å; H71-Q76 PolarHBondContact O-NE2 2.85Å
72	T	96.9	Very high	97.2	Very high	43 Å²	43	80.1 Å²	80.1	26%	0.264	42%	0.421	S	S	.	.			trans	-63.5	163.6	172.8	66.5	0	0	0	0	111.8	A7 H70 V75 Q76	A7-T72 PolarHBondContact O-OG1 3.3Å; H70-T72 PolarHBondContact O-N 2.91Å; H70-T72 VanDerWaalsContact O-N 3.1Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 3.47Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.48Å; T72-Q76 PolarHBondContact O-N 3.48Å
73	P	97.8	Very high	97.2	Very high	104 Å²	104	81.8 Å²	81.8	68%	0.675	43%	0.425	S	S	*	.	H	α-helix	trans	-54.5	-40.3	-178.5	-24.5	32.8	0	0	0	115.1	V75 Q76 K77	P73-V75 PolarHBondContact O-N 2.89Å; P73-Q76 PolarHBondContact O-N 3.45Å; P73-K77 WeakPolarHBondContact O-CB 3.41Å; P73-K77 PolarHBondContact O-N 3.3Å
74	P	96.9	Very high	97.3	Very high	59 Å²	59	81.4 Å²	81.4	38%	0.383	43%	0.43	S	S	.	.	H	α-helix	trans	-61.2	-40.5	172.8	-25.8	36.5	0	0	0	113.7	A7 K77 G78	A7-P74 HydrophobicContact CB-CG 4.04Å; P74-K77 PolarHBondContact O-N 3.36Å; P74-G78 PolarHBondContact O-N 3.03Å
75	V	97.9	Very high	97.3	Very high	22 Å²	22	85.3 Å²	85.3	13%	0.133	45%	0.452	C	S	.	.	H	α-helix	trans	-64.9	-45.5	177.5	174.6	0	0	0	0	110.5	H9 T72 P73 K77 G78 L79	H9-V75 HydrophobicContact CB-CG2 4.14Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 3.47Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.48Å; P73-V75 PolarHBondContact O-N 2.89Å; V75-K77 VanDerWaalsContact C-N 3.31Å; V75-K77 PolarHBondContact O-N 3.28Å; V75-G78 WeakPolarHBondContact O-CA 3.4Å; V75-G78 PolarHBondContact O-N 3.36Å; V75-G78 VanDerWaalsContact O-N 3.11Å; V75-L79 HydrophobicContact CG1-CD1 4.45Å; V75-L79 PolarHBondContact O-N 3.36Å
76	Q	97.9	Very high	97.4	Very high	85 Å²	85	89.3 Å²	89.3	40%	0.397	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-39.9	176.3	-66.1	-176.6	27	0	0	112.2	H71 T72 P73 G78 L79 R80	H71-Q76 HydrophobicContact CB-CG 4.2Å; H71-Q76 PolarHBondContact O-NE2 2.85Å; T72-Q76 PolarHBondContact O-N 3.48Å; P73-Q76 PolarHBondContact O-N 3.45Å; Q76-G78 VanDerWaalsContact C-N 3.3Å; Q76-G78 PolarHBondContact O-N 3.06Å; Q76-L79 PolarHBondContact O-N 3.1Å; Q76-R80 WeakPolarHBondContact O-CG 3.38Å; Q76-R80 PolarHBondContact O-N 3.48Å
77	K	98.1	Very high	97.5	Very high	123 Å²	123	89 Å²	89	54%	0.535	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-41.7	174.1	-171.7	178.7	-178.5	-177.2	0	111.2	P73 P74 V75 R80 Y81	P73-K77 WeakPolarHBondContact O-CB 3.41Å; P73-K77 PolarHBondContact O-N 3.3Å; P74-K77 PolarHBondContact O-N 3.36Å; V75-K77 VanDerWaalsContact C-N 3.31Å; V75-K77 PolarHBondContact O-N 3.28Å; K77-R80 PolarHBondContact O-N 2.94Å; K77-Y81 HydrophobicContact CD-CE2 4.15Å; K77-Y81 WeakPolarHBondContact CE-OH 3.42Å; K77-Y81 HydrophobicContact CG-CD2 4.22Å; K77-Y81 HydrophobicContact CG-CE2 3.69Å; K77-Y81 WeakPolarHBondContact O-CD2 3.39Å; K77-Y81 PolarHBondContact O-N 3.29Å; K77-Y81 VanDerWaalsContact O-N 3.15Å
78	G	98.3	Very high	97.6	Very high	40 Å²	40	83.1 Å²	83.1	41%	0.412	44%	0.442	S	S	.	.	H	α-helix	trans	-59.3	-47.2	173.2	0	0	0	0	0	113	P74 V75 Q76 R80 Y81 G82	P74-G78 PolarHBondContact O-N 3.03Å; V75-G78 WeakPolarHBondContact O-CA 3.4Å; V75-G78 PolarHBondContact O-N 3.36Å; V75-G78 VanDerWaalsContact O-N 3.11Å; Q76-G78 VanDerWaalsContact C-N 3.3Å; Q76-G78 PolarHBondContact O-N 3.06Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 3.42Å; G78-Y81 PolarHBondContact O-N 3.13Å; G78-G82 PolarHBondContact O-N 2.89Å
79	L	98.1	Very high	97.8	Very high	93 Å²	93	81.6 Å²	81.6	49%	0.487	44%	0.442	S	S	.	.	H	α-helix	trans	-61.8	-37.2	177.4	-67.6	173.8	0	0	0	112.6	V75 Q76 G82 M83	V75-L79 HydrophobicContact CG1-CD1 4.45Å; V75-L79 PolarHBondContact O-N 3.36Å; Q76-L79 PolarHBondContact O-N 3.1Å; L79-G82 PolarHBondContact O-N 2.96Å; L79-M83 PolarHBondContact O-N 2.77Å
80	R	98.4	Very high	98	Very high	170 Å²	170	82.8 Å²	82.8	64%	0.642	43%	0.433	S	S	*	.	H	α-helix	trans	-62	-45.9	174	-70.3	175.3	-171.6	-173.5	2.7	111.8	Q76 K77 G78 G82 M83 I84	Q76-R80 WeakPolarHBondContact O-CG 3.38Å; Q76-R80 PolarHBondContact O-N 3.48Å; K77-R80 PolarHBondContact O-N 2.94Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 3.42Å; R80-G82 VanDerWaalsContact C-N 3.32Å; R80-G82 PolarHBondContact O-N 3.48Å; R80-M83 PolarHBondContact O-N 3.2Å; R80-I84 VanDerWaalsContact O-CG1 3.3Å; R80-I84 WeakPolarHBondContact O-CG1 3.49Å; R80-I84 PolarHBondContact O-N 3.45Å
81	Y	98.6	Very high	98.1	Very high	133 Å²	133	84.3 Å²	84.3	52%	0.522	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-41.7	174.3	-70.8	-56.3	0	0	0	111.9	K77 G78 M83 I84 L85	K77-Y81 HydrophobicContact CD-CE2 4.15Å; K77-Y81 WeakPolarHBondContact CE-OH 3.42Å; K77-Y81 HydrophobicContact CG-CD2 4.22Å; K77-Y81 HydrophobicContact CG-CE2 3.69Å; K77-Y81 WeakPolarHBondContact O-CD2 3.39Å; K77-Y81 PolarHBondContact O-N 3.29Å; K77-Y81 VanDerWaalsContact O-N 3.15Å; G78-Y81 PolarHBondContact O-N 3.13Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 2.96Å; Y81-I84 PolarHBondContact O-N 3.44Å; Y81-L85 WeakPolarHBondContact O-CG 3.45Å; Y81-L85 PolarHBondContact O-N 3.44Å
82	G	98.4	Very high	98.2	Very high	40 Å²	40	89.6 Å²	89.6	41%	0.412	47%	0.469	S	S	.	.	H	α-helix	trans	-56.3	-46.9	175.3	0	0	0	0	0	112.4	G78 L79 R80 L85 F86	G78-G82 PolarHBondContact O-N 2.89Å; L79-G82 PolarHBondContact O-N 2.96Å; R80-G82 VanDerWaalsContact C-N 3.32Å; R80-G82 PolarHBondContact O-N 3.48Å; G82-L85 PolarHBondContact O-N 3.28Å; G82-F86 WeakPolarHBondContact O-CB 3.49Å; G82-F86 PolarHBondContact O-N 2.94Å
83	M	98.4	Very high	98.2	Very high	104 Å²	104	93.2 Å²	93.2	51%	0.512	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-39.9	178.5	-168.1	64.2	-170.7	0	0	112.7	L79 R80 Y81 L85 F86 I87	L79-M83 PolarHBondContact O-N 2.77Å; R80-M83 PolarHBondContact O-N 3.2Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 2.96Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.42Å; M83-F86 HydrophobicContact CE-CD1 4.1Å; M83-F86 PolarHBondContact O-N 2.89Å; M83-F86 HydrophobicContact SD-CD1 4.05Å; M83-I87 HydrophobicContact CE-CD1 3.83Å; M83-I87 HydrophobicContact CE-CG1 3.85Å; M83-I87 HydrophobicContact CG-CD1 4.01Å; M83-I87 HydrophobicContact CG-CG1 4.48Å; M83-I87 WeakPolarHBondContact O-CG1 3.38Å; M83-I87 PolarHBondContact O-N 2.89Å
84	I	98.6	Very high	98.2	Very high	100 Å²	100	93.7 Å²	93.7	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-45.8	175.8	-69.3	165.6	0	0	0	110.5	R80 Y81 I87 T88	R80-I84 VanDerWaalsContact O-CG1 3.3Å; R80-I84 WeakPolarHBondContact O-CG1 3.49Å; R80-I84 PolarHBondContact O-N 3.45Å; Y81-I84 PolarHBondContact O-N 3.44Å; I84-I87 PolarHBondContact O-N 3.04Å; I84-T88 WeakPolarHBondContact O-CB 3.34Å; I84-T88 PolarHBondContact O-N 2.87Å; I84-T88 PolarHBondContact O-OG1 3.19Å
85	L	98.6	Very high	98.3	Very high	119 Å²	119	93 Å²	93	62%	0.623	47%	0.473	S	S	*	.	H	α-helix	trans	-66	-40.2	178.9	-69.9	172.4	0	0	0	111.8	Y81 G82 M83 T88 S89	Y81-L85 WeakPolarHBondContact O-CG 3.45Å; Y81-L85 PolarHBondContact O-N 3.44Å; G82-L85 PolarHBondContact O-N 3.28Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.42Å; L85-T88 WeakPolarHBondContact O-CB 3.21Å; L85-T88 PolarHBondContact O-N 3.48Å; L85-S89 PolarHBondContact O-N 3.05Å; L85-S89 PolarHBondContact O-OG 3.25Å
86	F	98.4	Very high	98.3	Very high	115 Å²	115	93.7 Å²	93.7	50%	0.504	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-48.4	174.8	174.7	-105.6	0	0	0	112.3	G82 M83 T88 S89 E90	G82-F86 WeakPolarHBondContact O-CB 3.49Å; G82-F86 PolarHBondContact O-N 2.94Å; M83-F86 HydrophobicContact CE-CD1 4.1Å; M83-F86 PolarHBondContact O-N 2.89Å; M83-F86 HydrophobicContact SD-CD1 4.05Å; F86-T88 VanDerWaalsContact C-N 3.26Å; F86-T88 PolarHBondContact O-N 2.99Å; F86-S89 PolarHBondContact O-N 3.19Å; F86-S89 PolarHBondContact O-OG 3.44Å; F86-E90 HydrophobicContact CE1-CG 4.33Å; F86-E90 HydrophobicContact CE2-CG 4.41Å; F86-E90 HydrophobicContact CZ-CG 4.13Å; F86-E90 PolarHBondContact O-N 3.46Å; F86-E90 VanDerWaalsContact O-N 3.13Å
87	I	98.4	Very high	98.3	Very high	89 Å²	89	95.4 Å²	95.4	46%	0.456	49%	0.491	S	S	.	.	H	α-helix	trans	-61.1	-39.4	175.1	-67.2	168.3	0	0	0	110.5	M83 I84 S89 E90 V91	M83-I87 HydrophobicContact CE-CD1 3.83Å; M83-I87 HydrophobicContact CE-CG1 3.85Å; M83-I87 HydrophobicContact CG-CD1 4.01Å; M83-I87 HydrophobicContact CG-CG1 4.48Å; M83-I87 WeakPolarHBondContact O-CG1 3.38Å; M83-I87 PolarHBondContact O-N 2.89Å; I84-I87 PolarHBondContact O-N 3.04Å; I87-S89 VanDerWaalsContact C-N 3.35Å; I87-S89 PolarHBondContact O-N 3.22Å; I87-E90 PolarHBondContact O-N 2.7Å; I87-V91 WeakPolarHBondContact O-CG2 3.49Å; I87-V91 PolarHBondContact O-N 2.99Å
88	T	98.6	Very high	98.3	Very high	59 Å²	59	95.2 Å²	95.2	36%	0.362	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-43.7	177.2	-57.6	0	0	0	0	111.1	I84 L85 F86 E90 V91 F92	I84-T88 WeakPolarHBondContact O-CB 3.34Å; I84-T88 PolarHBondContact O-N 2.87Å; I84-T88 PolarHBondContact O-OG1 3.19Å; L85-T88 WeakPolarHBondContact O-CB 3.21Å; L85-T88 PolarHBondContact O-N 3.48Å; F86-T88 VanDerWaalsContact C-N 3.26Å; F86-T88 PolarHBondContact O-N 2.99Å; T88-E90 VanDerWaalsContact C-N 3.31Å; T88-E90 PolarHBondContact O-N 3.38Å; T88-V91 PolarHBondContact O-N 3.23Å; T88-F92 HydrophobicContact CG2-CD2 4.1Å; T88-F92 HydrophobicContact CG2-CE2 3.85Å; T88-F92 VanDerWaalsContact O-CD2 3.26Å; T88-F92 WeakPolarHBondContact O-CD2 3.45Å; T88-F92 PolarHBondContact O-N 2.94Å
89	S	98.5	Very high	98.3	Very high	62 Å²	62	102.5 Å²	102.5	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-36.9	175.2	50.1	0	0	0	0	113	L85 F86 I87 F92 F93	L85-S89 PolarHBondContact O-N 3.05Å; L85-S89 PolarHBondContact O-OG 3.25Å; F86-S89 PolarHBondContact O-N 3.19Å; F86-S89 PolarHBondContact O-OG 3.44Å; I87-S89 VanDerWaalsContact C-N 3.35Å; I87-S89 PolarHBondContact O-N 3.22Å; S89-F92 PolarHBondContact O-N 3.32Å; S89-F93 PolarHBondContact O-N 3.23Å
90	E	98.4	Very high	98.3	Very high	79 Å²	79	100.8 Å²	100.8	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-38	176.1	-66.8	-62.9	123.6	0	0	112	F86 I87 T88 F92 F93 F94	F86-E90 HydrophobicContact CE1-CG 4.33Å; F86-E90 HydrophobicContact CE2-CG 4.41Å; F86-E90 HydrophobicContact CZ-CG 4.13Å; F86-E90 PolarHBondContact O-N 3.46Å; F86-E90 VanDerWaalsContact O-N 3.13Å; I87-E90 PolarHBondContact O-N 2.7Å; T88-E90 VanDerWaalsContact C-N 3.31Å; T88-E90 PolarHBondContact O-N 3.38Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-F92 PolarHBondContact O-N 2.99Å; E90-F93 WeakPolarHBondContact O-CB 3.3Å; E90-F93 PolarHBondContact O-N 3.41Å; E90-F94 WeakPolarHBondContact O-CD2 3.32Å; E90-F94 PolarHBondContact O-N 2.86Å
91	V	98.4	Very high	98.3	Very high	93 Å²	93	97.3 Å²	97.3	56%	0.564	49%	0.494	S	S	*	.	H	α-helix	trans	-58.9	-42.5	173.5	171.5	0	0	0	0	111	I87 T88 F94 A95	I87-V91 WeakPolarHBondContact O-CG2 3.49Å; I87-V91 PolarHBondContact O-N 2.99Å; T88-V91 PolarHBondContact O-N 3.23Å; V91-F94 PolarHBondContact O-N 3.45Å; V91-A95 WeakPolarHBondContact O-CB 3.43Å; V91-A95 PolarHBondContact O-N 3.42Å
92	F	98.3	Very high	98.3	Very high	150 Å²	150	96.9 Å²	96.9	66%	0.658	49%	0.492	S	S	*	.	H	α-helix	trans	-69	-36.2	175.9	-79.5	-75.2	0	0	0	113	T88 S89 E90 A95 G96	T88-F92 HydrophobicContact CG2-CD2 4.1Å; T88-F92 HydrophobicContact CG2-CE2 3.85Å; T88-F92 VanDerWaalsContact O-CD2 3.26Å; T88-F92 WeakPolarHBondContact O-CD2 3.45Å; T88-F92 PolarHBondContact O-N 2.94Å; S89-F92 PolarHBondContact O-N 3.32Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-F92 PolarHBondContact O-N 2.99Å; F92-A95 WeakPolarHBondContact O-CB 3.4Å; F92-A95 PolarHBondContact O-N 3.48Å; F92-G96 PolarHBondContact O-N 2.9Å
93	F	97.6	Very high	98.3	Very high	119 Å²	119	101.3 Å²	101.3	52%	0.522	50%	0.502	S	S	.	.	H	α-helix	trans	-58.3	-47	172.3	175.3	-108.8	0	0	0	111.2	S89 E90 G96 F97	S89-F93 PolarHBondContact O-N 3.23Å; E90-F93 WeakPolarHBondContact O-CB 3.3Å; E90-F93 PolarHBondContact O-N 3.41Å; F93-G96 PolarHBondContact O-N 3.43Å; F93-F97 HydrophobicContact CD1-CE2 4.13Å; F93-F97 HydrophobicContact CD2-CE2 4.34Å; F93-F97 HydrophobicContact CE1-CD2 4.49Å; F93-F97 AromaticContact CE1-CE2 3.61Å; F93-F97 HydrophobicContact CE1-CE2 3.61Å; F93-F97 HydrophobicContact CE1-CZ 4.44Å; F93-F97 AromaticContact CE2-CE2 3.84Å; F93-F97 HydrophobicContact CE2-CE2 3.84Å; F93-F97 HydrophobicContact CE2-CZ 4.26Å; F93-F97 HydrophobicContact CG-CE2 4.47Å; F93-F97 AromaticContact CZ-CE2 3.46Å; F93-F97 HydrophobicContact CZ-CE2 3.46Å; F93-F97 VanDerWaalsContact CZ-CE2 3.46Å; F93-F97 AromaticContact CZ-CZ 3.91Å; F93-F97 HydrophobicContact CZ-CZ 3.91Å; F93-F97 WeakPolarHBondContact O-CD2 3.47Å
94	F	97.9	Very high	98.2	Very high	113 Å²	113	99.1 Å²	99.1	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-67.7	-35.2	174.4	-82.7	-79.2	0	0	0	113.5	E90 V91 G96 F97 F98	E90-F94 WeakPolarHBondContact O-CD2 3.32Å; E90-F94 PolarHBondContact O-N 2.86Å; V91-F94 PolarHBondContact O-N 3.45Å; F94-G96 PolarHBondContact O-N 3.45Å; F94-F97 PolarHBondContact O-N 3.46Å; F94-F98 HydrophobicContact CB-CE2 4.47Å; F94-F98 VanDerWaalsContact O-CD2 3.25Å; F94-F98 WeakPolarHBondContact O-CD2 3.36Å; F94-F98 PolarHBondContact O-N 3Å
95	A	98.4	Very high	98.1	Very high	46 Å²	46	95 Å²	95	38%	0.38	48%	0.477	S	S	.	.	H	α-helix	trans	-57.4	-33.4	175.1	0	0	0	0	0	112.1	V91 F92 F98 W99	V91-A95 WeakPolarHBondContact O-CB 3.43Å; V91-A95 PolarHBondContact O-N 3.42Å; F92-A95 WeakPolarHBondContact O-CB 3.4Å; F92-A95 PolarHBondContact O-N 3.48Å; A95-F98 PolarHBondContact O-N 3.46Å; A95-W99 WeakPolarHBondContact O-CB 3.41Å; A95-W99 PolarHBondContact O-N 2.92Å
96	G	98.5	Very high	98	Very high	36 Å²	36	96 Å²	96	37%	0.371	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-42.5	172.1	0	0	0	0	0	113.4	F92 F93 F94 W99 A100	F92-G96 PolarHBondContact O-N 2.9Å; F93-G96 PolarHBondContact O-N 3.43Å; F94-G96 PolarHBondContact O-N 3.45Å; G96-W99 PolarHBondContact O-N 3.5Å; G96-A100 PolarHBondContact O-N 3Å
97	F	98	Very high	97.9	Very high	121 Å²	121	93.8 Å²	93.8	53%	0.531	49%	0.485	S	S	.	.	H	α-helix	trans	-69.9	-39.8	175.9	-67.7	-71.9	0	0	0	112.7	F93 F94 W99 A100 F101	F93-F97 HydrophobicContact CD1-CE2 4.13Å; F93-F97 HydrophobicContact CD2-CE2 4.34Å; F93-F97 HydrophobicContact CE1-CD2 4.49Å; F93-F97 AromaticContact CE1-CE2 3.61Å; F93-F97 HydrophobicContact CE1-CE2 3.61Å; F93-F97 HydrophobicContact CE1-CZ 4.44Å; F93-F97 AromaticContact CE2-CE2 3.84Å; F93-F97 HydrophobicContact CE2-CE2 3.84Å; F93-F97 HydrophobicContact CE2-CZ 4.26Å; F93-F97 HydrophobicContact CG-CE2 4.47Å; F93-F97 AromaticContact CZ-CE2 3.46Å; F93-F97 HydrophobicContact CZ-CE2 3.46Å; F93-F97 VanDerWaalsContact CZ-CE2 3.46Å; F93-F97 AromaticContact CZ-CZ 3.91Å; F93-F97 HydrophobicContact CZ-CZ 3.91Å; F93-F97 WeakPolarHBondContact O-CD2 3.47Å; F94-F97 PolarHBondContact O-N 3.46Å; F97-W99 VanDerWaalsContact C-N 3.29Å; F97-W99 PolarHBondContact O-N 3.05Å; F97-A100 PolarHBondContact O-N 3.18Å; F97-F101 PolarHBondContact O-N 3.49Å
98	F	97.9	Very high	97.8	Very high	118 Å²	118	90.9 Å²	90.9	52%	0.518	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-40.9	172.8	-79.6	-74.6	0	0	0	111.3	F94 A95 F101 Y102	F94-F98 HydrophobicContact CB-CE2 4.47Å; F94-F98 VanDerWaalsContact O-CD2 3.25Å; F94-F98 WeakPolarHBondContact O-CD2 3.36Å; F94-F98 PolarHBondContact O-N 3Å; A95-F98 PolarHBondContact O-N 3.46Å; F98-F101 PolarHBondContact O-N 3.03Å; F98-Y102 HydrophobicContact CB-CD2 4.37Å; F98-Y102 HydrophobicContact CB-CE2 4.28Å; F98-Y102 HydrophobicContact CD1-CE2 4.24Å; F98-Y102 WeakPolarHBondContact O-CD2 3.38Å; F98-Y102 PolarHBondContact O-N 3.47Å
99	W	98.4	Very high	97.7	Very high	194 Å²	194	91.3 Å²	91.3	74%	0.735	48%	0.475	S	S	*	.	H	α-helix	trans	-60.5	-48.4	175	178.3	20.6	0	0	0	111.5	A95 G96 F97 F101 Y102 H103	A95-W99 WeakPolarHBondContact O-CB 3.41Å; A95-W99 PolarHBondContact O-N 2.92Å; G96-W99 PolarHBondContact O-N 3.5Å; F97-W99 VanDerWaalsContact C-N 3.29Å; F97-W99 PolarHBondContact O-N 3.05Å; W99-F101 VanDerWaalsContact C-N 3.3Å; W99-F101 PolarHBondContact O-N 3.04Å; W99-Y102 PolarHBondContact O-N 3.28Å; W99-H103 VanDerWaalsContact O-CB 3.26Å; W99-H103 WeakPolarHBondContact O-CB 3.3Å; W99-H103 PolarHBondContact O-N 3.49Å
100	A	98.2	Very high	97.5	Very high	56 Å²	56	93.8 Å²	93.8	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-56.7	-44.1	175.6	0	0	0	0	0	111.9	G96 F97 H103 S104	G96-A100 PolarHBondContact O-N 3Å; F97-A100 PolarHBondContact O-N 3.18Å; A100-H103 PolarHBondContact O-N 3.24Å; A100-S104 PolarHBondContact O-N 3.15Å; A100-S104 VanDerWaalsContact O-N 3.1Å; A100-S104 PolarHBondContact O-OG 2.93Å
101	F	98.1	Very high	97.3	Very high	98 Å²	98	97.6 Å²	97.6	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-60.9	-50.9	176.3	170.6	-98.1	0	0	0	112.8	F97 F98 W99 H103 S104 S105 W116	F97-F101 PolarHBondContact O-N 3.49Å; F98-F101 PolarHBondContact O-N 3.03Å; W99-F101 VanDerWaalsContact C-N 3.3Å; W99-F101 PolarHBondContact O-N 3.04Å; F101-H103 VanDerWaalsContact C-N 3.34Å; F101-H103 PolarHBondContact O-N 3.44Å; F101-S104 PolarHBondContact O-N 2.89Å; F101-S105 VanDerWaalsContact O-CB 3.31Å; F101-S105 WeakPolarHBondContact O-CB 3.45Å; F101-S105 PolarHBondContact O-N 2.89Å; F101-S105 PolarHBondContact O-OG 2.66Å; F101-W116 HydrophobicContact CD2-CZ2 4.5Å; F101-W116 AromaticContact CE2-CZ2 3.99Å; F101-W116 HydrophobicContact CE2-CZ2 3.99Å
102	Y	98.1	Very high	97	Very high	123 Å²	123	95.9 Å²	95.9	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-65.8	-37.6	179.9	-75.3	-60.7	0	0	0	112.1	F98 W99 S104 L106	F98-Y102 HydrophobicContact CB-CD2 4.37Å; F98-Y102 HydrophobicContact CB-CE2 4.28Å; F98-Y102 HydrophobicContact CD1-CE2 4.24Å; F98-Y102 WeakPolarHBondContact O-CD2 3.38Å; F98-Y102 PolarHBondContact O-N 3.47Å; W99-Y102 PolarHBondContact O-N 3.28Å; Y102-S104 PolarHBondContact O-N 2.95Å; Y102-L106 HydrophobicContact CD1-CD1 4.2Å; Y102-L106 HydrophobicContact CD1-CG 4.43Å; Y102-L106 VanDerWaalsContact O-CB 3.22Å; Y102-L106 WeakPolarHBondContact O-CB 3.43Å; Y102-L106 VanDerWaalsContact O-CG 3.25Å; Y102-L106 WeakPolarHBondContact O-CG 3.39Å; Y102-L106 PolarHBondContact O-N 2.86Å
103	H	97.5	Very high	96.7	Very high	133 Å²	133	90.7 Å²	90.7	62%	0.616	48%	0.484	S	S	*	.	H	α-helix	trans	-59.1	-47.3	175.9	-179	70.4	0	0	0	111.3	W99 A100 F101	W99-H103 VanDerWaalsContact O-CB 3.26Å; W99-H103 WeakPolarHBondContact O-CB 3.3Å; W99-H103 PolarHBondContact O-N 3.49Å; A100-H103 PolarHBondContact O-N 3.24Å; F101-H103 VanDerWaalsContact C-N 3.34Å; F101-H103 PolarHBondContact O-N 3.44Å
104	S	96.4	Very high	96.5	Very high	58 Å²	58	87.5 Å²	87.5	41%	0.406	48%	0.484	S	S	.	.	H	α-helix	trans	-76.4	-32.5	-179.1	-61.2	0	0	0	0	114.3	A100 F101 Y102	A100-S104 PolarHBondContact O-N 3.15Å; A100-S104 VanDerWaalsContact O-N 3.1Å; A100-S104 PolarHBondContact O-OG 2.93Å; F101-S104 PolarHBondContact O-N 2.89Å; Y102-S104 PolarHBondContact O-N 2.95Å
105	S	97	Very high	96.3	Very high	15 Å²	15	86.5 Å²	86.5	11%	0.105	48%	0.481	C	S	.	.	H	α-helix	trans	-86.3	-33.1	-175.6	57.9	0	0	0	0	114.2	F101	F101-S105 VanDerWaalsContact O-CB 3.31Å; F101-S105 WeakPolarHBondContact O-CB 3.45Å; F101-S105 PolarHBondContact O-N 2.89Å; F101-S105 PolarHBondContact O-OG 2.66Å
106	L	97.1	Very high	96.2	Very high	138 Å²	138	89.7 Å²	89.7	72%	0.723	48%	0.483	S	S	*	.	H	α-helix	trans	-78.6	-26.8	-179.9	-65.2	174	0	0	0	112.8	Y102	Y102-L106 HydrophobicContact CD1-CD1 4.2Å; Y102-L106 HydrophobicContact CD1-CG 4.43Å; Y102-L106 VanDerWaalsContact O-CB 3.22Å; Y102-L106 WeakPolarHBondContact O-CB 3.43Å; Y102-L106 VanDerWaalsContact O-CG 3.25Å; Y102-L106 WeakPolarHBondContact O-CG 3.39Å; Y102-L106 PolarHBondContact O-N 2.86Å
107	A	95.8	Very high	96.1	Very high	69 Å²	69	90.4 Å²	90.4	57%	0.57	48%	0.481	S	S	*	.	S	Bend	trans	-130.1	68.5	178.1	0	0	0	0	0	110.8	T109	A107-T109 PolarHBondContact O-N 3.35Å
108	P	95.8	Very high	96.1	Very high	29 Å²	29	85.6 Å²	85.6	19%	0.188	46%	0.462	C	S	.	.			trans	-64.5	133.8	-176.7	26.8	-33.8	0	0	0	110.9	H115	P108-H115 WeakPolarHBondContact CB-O 3.36Å
109	T	96.5	Very high	95.9	Very high	67 Å²	67	84.3 Å²	84.3	41%	0.411	46%	0.464	S	S	.	.			trans	-71.8	156.7	-178.5	66.2	0	0	0	0	111.5	A107 Q111 L112 G114	A107-T109 PolarHBondContact O-N 3.35Å; T109-Q111 PolarHBondContact O-N 3.18Å; T109-Q111 VanDerWaalsContact O-N 3.12Å; T109-Q111 PolarHBondContact OG1-OE1 3.21Å; T109-Q111 VanDerWaalsContact OG1-OE1 3.12Å; T109-L112 WeakPolarHBondContact O-CB 3.39Å; T109-L112 PolarHBondContact O-N 2.87Å; T109-G114 PolarHBondContact O-N 3.2Å
110	P	95.4	Very high	95.8	Very high	114 Å²	114	79 Å²	79	74%	0.74	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-56.8	-29.6	178.1	-27	35.8	0	0	0	113.7	L112 G113	P110-L112 PolarHBondContact O-N 3.46Å; P110-G113 PolarHBondContact O-N 3.05Å
111	Q	94.4	Very high	95.7	Very high	160 Å²	160	81.5 Å²	81.5	75%	0.748	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.2	176.7	-62.4	81.2	2	0	0	112.9	T109	T109-Q111 PolarHBondContact O-N 3.18Å; T109-Q111 VanDerWaalsContact O-N 3.12Å; T109-Q111 PolarHBondContact OG1-OE1 3.21Å; T109-Q111 VanDerWaalsContact OG1-OE1 3.12Å
112	L	92.7	Very high	95.7	Very high	57 Å²	57	83.1 Å²	83.1	30%	0.298	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-91.1	-1.6	176.6	-59.1	176.5	0	0	0	113.1	T109 P110 P118 T119	T109-L112 WeakPolarHBondContact O-CB 3.39Å; T109-L112 PolarHBondContact O-N 2.87Å; P110-L112 PolarHBondContact O-N 3.46Å; L112-P118 HydrophobicContact CB-CB 4.06Å; L112-P118 HydrophobicContact CB-CG 4.34Å; L112-P118 HydrophobicContact CD1-CG 4.3Å; L112-P118 HydrophobicContact CD2-CB 4.02Å; L112-P118 HydrophobicContact CD2-CG 4.09Å; L112-P118 HydrophobicContact CG-CG 4.47Å; L112-T119 PolarHBondContact O-N 3.12Å
113	G	91.5	Very high	95.6	Very high	41 Å²	41	81.8 Å²	81.8	42%	0.423	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	8.5	-174.6	0	0	0	0	0	114.7	P110 H115	P110-G113 PolarHBondContact O-N 3.05Å; G113-H115 VanDerWaalsContact C-N 3.28Å; G113-H115 PolarHBondContact O-N 3.31Å; G113-H115 PolarHBondContact O-ND1 3.24Å
114	G	93.7	Very high	95.6	Very high	51 Å²	51	82.7 Å²	82.7	53%	0.526	51%	0.507	S	S	.	.	S	Bend	trans	71	15.5	175.2	0	0	0	0	0	115.4	T109	T109-G114 PolarHBondContact O-N 3.2Å
115	H	93.9	Very high	95.7	Very high	93 Å²	93	83.1 Å²	83.1	43%	0.431	51%	0.505	S	S	.	.	S	Bend	trans	-143.1	168.2	175.7	59	-83.8	0	0	0	110.9	P108 G113 P117 T119	P108-H115 WeakPolarHBondContact CB-O 3.36Å; G113-H115 VanDerWaalsContact C-N 3.28Å; G113-H115 PolarHBondContact O-N 3.31Å; G113-H115 PolarHBondContact O-ND1 3.24Å; H115-P117 PolarHBondContact CD2-O 3.13Å; H115-T119 WeakPolarHBondContact CE1-CG2 3.47Å
116	W	95.7	Very high	95.7	Very high	112 Å²	112	86.8 Å²	86.8	42%	0.424	53%	0.528	S	S	.	.	S	Bend	trans	-125.5	134.3	175.8	-170.4	-92.8	0	0	0	109.9	F101 P118	F101-W116 HydrophobicContact CD2-CZ2 4.5Å; F101-W116 AromaticContact CE2-CZ2 3.99Å; F101-W116 HydrophobicContact CE2-CZ2 3.99Å; W116-P118 HydrophobicContact CE3-CG 3.95Å; W116-P118 HydrophobicContact CH2-CG 4.45Å; W116-P118 HydrophobicContact CZ3-CG 3.79Å
117	P	96.6	Very high	95.8	Very high	51 Å²	51	86.4 Å²	86.4	33%	0.331	53%	0.526	S	S	.	.	S	Bend	cis	-64.1	158.1	-3	-20.7	34	0	0	0	113.6	H115 P123	H115-P117 PolarHBondContact CD2-O 3.13Å; P117-P123 HydrophobicContact CG-CG 4.26Å
118	P	96.8	Very high	95.9	Very high	21 Å²	21	88.9 Å²	88.9	14%	0.136	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-59.7	152.1	177.5	-24.7	35.7	0	0	0	112.8	L112 W116 G120 I121	L112-P118 HydrophobicContact CB-CB 4.06Å; L112-P118 HydrophobicContact CB-CG 4.34Å; L112-P118 HydrophobicContact CD1-CG 4.3Å; L112-P118 HydrophobicContact CD2-CB 4.02Å; L112-P118 HydrophobicContact CD2-CG 4.09Å; L112-P118 HydrophobicContact CG-CG 4.47Å; W116-P118 HydrophobicContact CE3-CG 3.95Å; W116-P118 HydrophobicContact CH2-CG 4.45Å; W116-P118 HydrophobicContact CZ3-CG 3.79Å; P118-G120 PolarHBondContact O-N 2.94Å; P118-I121 HydrophobicContact CB-CG1 4.22Å; P118-I121 PolarHBondContact O-N 3.12Å; P118-I121 VanDerWaalsContact O-N 3.13Å
119	T	94.7	Very high	96	Very high	90 Å²	90	91.7 Å²	91.7	55%	0.552	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129.3	176.3	51.7	0	0	0	0	111.8	L112 H115	L112-T119 PolarHBondContact O-N 3.12Å; H115-T119 WeakPolarHBondContact CE1-CG2 3.47Å
120	G	95.6	Very high	96.1	Very high	83 Å²	83	90.7 Å²	90.7	86%	0.856	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-5.5	179.1	0	0	0	0	0	114.9	P118	P118-G120 PolarHBondContact O-N 2.94Å
121	I	97.1	Very high	96.2	Very high	109 Å²	109	89.5 Å²	89.5	56%	0.559	52%	0.524	S	S	*	.			trans	-94	124.9	173.4	-58.5	-59.3	0	0	0	110	P118	P118-I121 HydrophobicContact CB-CG1 4.22Å; P118-I121 PolarHBondContact O-N 3.12Å; P118-I121 VanDerWaalsContact O-N 3.13Å
122	T	97.1	Very high	96.3	Very high	132 Å²	132	86.7 Å²	86.7	81%	0.81	51%	0.513	S	S	*	.			trans	-100.9	111.4	170.3	46.5	0	0	0	0	109
123	P	96.6	Very high	96.6	Very high	95 Å²	95	88.3 Å²	88.3	62%	0.617	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-69.8	151.9	-179.8	29.2	-34.4	0	0	0	110.9	P117	P117-P123 HydrophobicContact CG-CG 4.26Å
124	L	97.5	Very high	96.9	Very high	151 Å²	151	89.9 Å²	89.9	79%	0.791	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-63.1	142	170.1	-62.7	174.6	0	0	0	110	P126	L124-P126 WeakPolarHBondContact O-CD 3.28Å
125	N	98	Very high	97.1	Very high	68 Å²	68	90.2 Å²	90.2	36%	0.364	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-68	119.5	173.9	-177.2	-8.7	0	0	0	109.7	L127 E128 P130	N125-L127 PolarHBondContact O-N 2.88Å; N125-L127 PolarHBondContact OD1-N 2.98Å; N125-E128 HydrophobicContact CB-CB 4.46Å; N125-E128 HydrophobicContact CB-CG 3.97Å; N125-E128 WeakPolarHBondContact CB-OE1 3.42Å; N125-E128 PolarHBondContact ND2-OE1 3.17Å; N125-E128 PolarHBondContact O-N 3.4Å; N125-P130 WeakPolarHBondContact O-CD 3.34Å
126	P	97.6	Very high	97.2	Very high	91 Å²	91	89.7 Å²	89.7	59%	0.591	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.6	-177	27.3	-35.3	0	0	0	113.3	L124 L131	L124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-L131 WeakPolarHBondContact O-CB 3.46Å; P126-L131 PolarHBondContact O-N 3.44Å
127	L	98.2	Very high	97.3	Very high	130 Å²	130	90.3 Å²	90.3	68%	0.681	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.1	-176.9	-60.8	179.4	0	0	0	114.3	N125 L131	N125-L127 PolarHBondContact O-N 2.88Å; N125-L127 PolarHBondContact OD1-N 2.98Å; L127-L131 HydrophobicContact CD2-CD2 4.3Å
128	E	97.9	Very high	97.3	Very high	121 Å²	121	93.8 Å²	93.8	57%	0.565	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-122.6	179.5	-67.9	171.8	-159.7	0	0	110.8	N125 P130 L131 L132	N125-E128 HydrophobicContact CB-CB 4.46Å; N125-E128 HydrophobicContact CB-CG 3.97Å; N125-E128 WeakPolarHBondContact CB-OE1 3.42Å; N125-E128 PolarHBondContact ND2-OE1 3.17Å; N125-E128 PolarHBondContact O-N 3.4Å; E128-P130 VanDerWaalsContact C-CD 3.43Å; E128-P130 VanDerWaalsContact C-N 3.34Å; E128-L131 PolarHBondContact O-N 3.48Å; E128-L132 PolarHBondContact O-N 3.18Å
129	V	98	Very high	97.4	Very high	89 Å²	89	95.9 Å²	95.9	54%	0.539	57%	0.567	S	S	.	*	H	α-helix	trans	-56.7	-38.4	-179.8	-177	0	0	0	0	113	L131 L132 N133	V129-L131 PolarHBondContact O-N 2.96Å; V129-L132 WeakPolarHBondContact O-CB 3.38Å; V129-L132 PolarHBondContact O-N 3.33Å; V129-N133 PolarHBondContact O-N 2.88Å
130	P	98.3	Very high	97.5	Very high	46 Å²	46	95 Å²	95	30%	0.299	57%	0.565	S	S	.	*	H	α-helix	trans	-59.2	-42.9	176.8	-25.7	36.2	0	0	0	113.3	N125 E128 N133 T134	N125-P130 WeakPolarHBondContact O-CD 3.34Å; E128-P130 VanDerWaalsContact C-CD 3.43Å; E128-P130 VanDerWaalsContact C-N 3.34Å; P130-N133 WeakPolarHBondContact O-CB 3.36Å; P130-N133 PolarHBondContact O-N 2.88Å; P130-T134 PolarHBondContact O-N 3.36Å; P130-T134 PolarHBondContact O-OG1 2.82Å
131	L	97.9	Very high	97.4	Very high	88 Å²	88	94.1 Å²	94.1	46%	0.461	56%	0.555	S	S	.	*	H	α-helix	trans	-64.3	-41	176.7	-178.7	63.5	0	0	0	111.6	P126 L127 E128 V129 N133 T134 S135	P126-L131 WeakPolarHBondContact O-CB 3.46Å; P126-L131 PolarHBondContact O-N 3.44Å; L127-L131 HydrophobicContact CD2-CD2 4.3Å; E128-L131 PolarHBondContact O-N 3.48Å; V129-L131 PolarHBondContact O-N 2.96Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.24Å; L131-T134 PolarHBondContact O-N 3.48Å; L131-S135 PolarHBondContact O-N 3.14Å
132	L	97.9	Very high	97.2	Very high	101 Å²	101	95.2 Å²	95.2	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-57.7	-47.5	173.4	178.9	64	0	0	0	110.6	E128 V129 T134 S135 V136	E128-L132 PolarHBondContact O-N 3.18Å; V129-L132 WeakPolarHBondContact O-CB 3.38Å; V129-L132 PolarHBondContact O-N 3.33Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-T134 PolarHBondContact O-N 3.41Å; L132-S135 PolarHBondContact O-N 2.91Å; L132-S135 VanDerWaalsContact O-N 3.1Å; L132-S135 PolarHBondContact O-OG 3.43Å; L132-V136 HydrophobicContact CD1-CG2 4.34Å; L132-V136 HydrophobicContact CG-CG2 4.47Å; L132-V136 WeakPolarHBondContact O-CG2 3.37Å; L132-V136 PolarHBondContact O-N 3.09Å
133	N	97.8	Very high	95.5	Very high	91 Å²	91	96.1 Å²	96.1	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-60.6	-40.6	178.1	-69.6	-13.9	0	0	0	112	V129 P130 L131 V136 L137	V129-N133 PolarHBondContact O-N 2.88Å; P130-N133 WeakPolarHBondContact O-CB 3.36Å; P130-N133 PolarHBondContact O-N 2.88Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 3.24Å; N133-V136 PolarHBondContact O-N 3.34Å; N133-L137 WeakPolarHBondContact O-CG 3.3Å; N133-L137 PolarHBondContact O-N 3.01Å
134	T	97.8	Very high	95.4	Very high	75 Å²	75	96.2 Å²	96.2	46%	0.46	58%	0.576	S	S	.	*	H	α-helix	trans	-60.3	-45.4	173.2	-55.9	0	0	0	0	111.5	P130 L131 L132 V136 L137 L138	P130-T134 PolarHBondContact O-N 3.36Å; P130-T134 PolarHBondContact O-OG1 2.82Å; L131-T134 PolarHBondContact O-N 3.48Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-T134 PolarHBondContact O-N 3.41Å; T134-V136 PolarHBondContact O-N 2.86Å; T134-L137 PolarHBondContact O-N 3.49Å; T134-L138 HydrophobicContact CG2-CD1 4.07Å; T134-L138 HydrophobicContact CG2-CG 4.43Å; T134-L138 WeakPolarHBondContact O-CG 3.45Å; T134-L138 PolarHBondContact O-N 3.35Å
135	S	97.2	Very high	95.3	Very high	57 Å²	57	93.3 Å²	93.3	40%	0.399	57%	0.565	S	S	.	*	H	α-helix	trans	-64.3	-39	179.5	75.5	0	0	0	0	112.6	L131 L132 L138 A139	L131-S135 PolarHBondContact O-N 3.14Å; L132-S135 PolarHBondContact O-N 2.91Å; L132-S135 VanDerWaalsContact O-N 3.1Å; L132-S135 PolarHBondContact O-OG 3.43Å; S135-L138 PolarHBondContact O-N 3.41Å; S135-A139 VanDerWaalsContact O-CB 3.27Å; S135-A139 WeakPolarHBondContact O-CB 3.28Å; S135-A139 PolarHBondContact O-N 3.43Å
136	V	97.9	Very high	95.2	Very high	83 Å²	83	94.7 Å²	94.7	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-64.5	-44.8	176.6	170.5	0	0	0	0	110.5	L132 N133 T134 A139 S140	L132-V136 HydrophobicContact CD1-CG2 4.34Å; L132-V136 HydrophobicContact CG-CG2 4.47Å; L132-V136 WeakPolarHBondContact O-CG2 3.37Å; L132-V136 PolarHBondContact O-N 3.09Å; N133-V136 PolarHBondContact O-N 3.34Å; T134-V136 PolarHBondContact O-N 2.86Å; V136-A139 PolarHBondContact O-N 3.18Å; V136-S140 WeakPolarHBondContact O-CB 3.41Å; V136-S140 PolarHBondContact O-N 2.92Å; V136-S140 PolarHBondContact O-OG 3.48Å
137	L	96.9	Very high	95	Very high	125 Å²	125	94.9 Å²	94.9	65%	0.654	58%	0.575	S	S	*	*	H	α-helix	trans	-63.7	-44	177.4	-70.9	174.7	0	0	0	111.8	N133 T134 S140 G141	N133-L137 WeakPolarHBondContact O-CG 3.3Å; N133-L137 PolarHBondContact O-N 3.01Å; T134-L137 PolarHBondContact O-N 3.49Å; L137-S140 PolarHBondContact O-N 3.43Å; L137-S140 PolarHBondContact O-OG 3.12Å; L137-G141 PolarHBondContact O-N 3.22Å
138	L	97.3	Very high	94.8	Very high	123 Å²	123	92.8 Å²	92.8	64%	0.644	57%	0.569	S	S	*	*	H	α-helix	trans	-62	-45.1	175.4	-71.9	174.1	0	0	0	111.8	T134 S135 S140 G141	T134-L138 HydrophobicContact CG2-CD1 4.07Å; T134-L138 HydrophobicContact CG2-CG 4.43Å; T134-L138 WeakPolarHBondContact O-CG 3.45Å; T134-L138 PolarHBondContact O-N 3.35Å; S135-L138 PolarHBondContact O-N 3.41Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-S140 PolarHBondContact O-N 3.34Å; L138-G141 PolarHBondContact O-N 3.45Å; L138-G141 VanDerWaalsContact O-N 3.15Å
139	A	97.3	Very high	94.6	Very high	66 Å²	66	90.9 Å²	90.9	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-61.4	-40.3	178.3	0	0	0	0	0	111.9	S135 V136 G141 V142	S135-A139 VanDerWaalsContact O-CB 3.27Å; S135-A139 WeakPolarHBondContact O-CB 3.28Å; S135-A139 PolarHBondContact O-N 3.43Å; V136-A139 PolarHBondContact O-N 3.18Å; A139-G141 PolarHBondContact O-N 2.9Å; A139-V142 PolarHBondContact O-N 3.06Å
140	S	96.9	Very high	94.4	Very high	72 Å²	72	91 Å²	91	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-66.5	-17.6	177.7	73.2	0	0	0	0	114.3	V136 L137 L138 S143	V136-S140 WeakPolarHBondContact O-CB 3.41Å; V136-S140 PolarHBondContact O-N 2.92Å; V136-S140 PolarHBondContact O-OG 3.48Å; L137-S140 PolarHBondContact O-N 3.43Å; L137-S140 PolarHBondContact O-OG 3.12Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-S140 PolarHBondContact O-N 3.34Å; S140-S143 PolarHBondContact O-OG 3.28Å
141	G	94.8	Very high	94.1	Very high	63 Å²	63	94.5 Å²	94.5	65%	0.649	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-14	177.3	0	0	0	0	0	114.6	L137 L138 A139	L137-G141 PolarHBondContact O-N 3.22Å; L138-G141 PolarHBondContact O-N 3.45Å; L138-G141 VanDerWaalsContact O-N 3.15Å; A139-G141 PolarHBondContact O-N 2.9Å
142	V	93.2	Very high	93.8	Very high	133 Å²	133	95 Å²	95	81%	0.806	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-20.9	-178.4	178.5	0	0	0	0	112.2	A139	A139-V142 PolarHBondContact O-N 3.06Å
143	S	60.4	Low	93.4	Very high	151 Å²	151	94.5 Å²	94.5	100%	1.056	61%	0.61	S	S	*	*			trans	-80.1	0	177.9	61.3	0	0	0	0	113.1	S140	S140-S143 PolarHBondContact O-OG 3.28Å

Retrieved 143 of 143 residues in 239.3 ms (Link to these results)

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