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Cytochrome c oxidase subunit 2

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 A0A075DC90, Species MOUSE (Mus musculus, Mouse), Gene COX2, Length 227 aa.

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(Predicted Aligned Error values between residue pairs)

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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	94.2	Very high	97.5	Very high	90 Å²	90	98.5 Å²	98.5	44%	0.443	53%	0.529	S	S	.	.				0	162.9	0	68	172.5	-75.4	0	0	109.4	Q10 L133 L136 Y193	M1-Q10 VanDerWaalsContact C-CD 3.44Å; M1-Q10 VanDerWaalsContact C-OE1 3.27Å; M1-L133 HydrophobicContact CE-CD1 3.69Å; M1-L133 HydrophobicContact CE-CD2 3.67Å; M1-L133 HydrophobicContact CE-CG 4.25Å; M1-L133 HydrophobicContact SD-CD1 3.21Å; M1-L133 WeakPolarHBondContact SD-CD1 3.08Å; M1-L133 HydrophobicContact SD-CD2 3.84Å; M1-L133 HydrophobicContact SD-CG 4.13Å; M1-L136 HydrophobicContact CE-CD1 4.09Å; M1-Y193 HydrophobicContact CB-CD2 3.91Å; M1-Y193 HydrophobicContact CB-CG 4.44Å
2	A	97.5	Very high	97.6	Very high	51 Å²	51	91.2 Å²	91.2	42%	0.421	49%	0.493	S	S	.	.			trans	-69.5	150.7	173	0	0	0	0	0	111.9
3	Y	97.8	Very high	97.6	Very high	136 Å²	136	84.4 Å²	84.4	53%	0.533	46%	0.456	S	S	.	.			trans	-124.3	159.1	177.6	58.1	-94.7	0	0	0	111.8	F5 Q6	Y3-F5 PolarHBondContact O-N 2.99Å; Y3-Q6 HydrophobicContact CD1-CB 4.4Å; Y3-Q6 HydrophobicContact CD1-CG 4.4Å; Y3-Q6 HydrophobicContact CD2-CB 3.94Å; Y3-Q6 HydrophobicContact CE1-CB 4.24Å; Y3-Q6 HydrophobicContact CE1-CG 3.89Å; Y3-Q6 HydrophobicContact CE2-CB 3.76Å; Y3-Q6 HydrophobicContact CE2-CG 4.12Å; Y3-Q6 HydrophobicContact CG-CB 4.26Å; Y3-Q6 VanDerWaalsContact N-OE1 3.13Å; Y3-Q6 VanDerWaalsContact O-CB 3.24Å; Y3-Q6 WeakPolarHBondContact O-CB 3.39Å; Y3-Q6 PolarHBondContact O-N 3.48Å
4	P	98.3	Very high	97.5	Very high	107 Å²	107	78.6 Å²	78.6	70%	0.695	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	137.6	-178.9	-26.1	35.5	0	0	0	112.5	Q6	P4-Q6 PolarHBondContact O-N 2.68Å
5	F	97.9	Very high	97.4	Very high	205 Å²	205	76.9 Å²	76.9	90%	0.899	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	21.5	-178.9	-52.8	-81	0	0	0	115.3	Y3	Y3-F5 PolarHBondContact O-N 2.99Å
6	Q	98.1	Very high	97.3	Very high	41 Å²	41	74.4 Å²	74.4	19%	0.192	41%	0.406	C	S	.	.			trans	-63.6	136.2	171.8	-175.5	173.2	9.2	0	0	111.4	Y3 P4 G8 L9	Y3-Q6 HydrophobicContact CD1-CB 4.4Å; Y3-Q6 HydrophobicContact CD1-CG 4.4Å; Y3-Q6 HydrophobicContact CD2-CB 3.94Å; Y3-Q6 HydrophobicContact CE1-CB 4.24Å; Y3-Q6 HydrophobicContact CE1-CG 3.89Å; Y3-Q6 HydrophobicContact CE2-CB 3.76Å; Y3-Q6 HydrophobicContact CE2-CG 4.12Å; Y3-Q6 HydrophobicContact CG-CB 4.26Å; Y3-Q6 VanDerWaalsContact N-OE1 3.13Å; Y3-Q6 VanDerWaalsContact O-CB 3.24Å; Y3-Q6 WeakPolarHBondContact O-CB 3.39Å; Y3-Q6 PolarHBondContact O-N 3.48Å; P4-Q6 PolarHBondContact O-N 2.68Å; Q6-G8 PolarHBondContact NE2-O 3.27Å; Q6-L9 VanDerWaalsContact NE2-C 3.26Å; Q6-L9 PolarHBondContact NE2-O 3.08Å
7	L	97.6	Very high	97.3	Very high	181 Å²	181	70.7 Å²	70.7	95%	0.948	39%	0.385	S	S	*	.			trans	-103.9	-36.6	179.4	-63.9	176.5	0	0	0	113.2
8	G	97.2	Very high	97.4	Very high	53 Å²	53	71.8 Å²	71.8	55%	0.546	39%	0.387	S	S	.	.	S	Bend	trans	-102.3	-166.5	-175	0	0	0	0	0	113.8	Q6	Q6-G8 PolarHBondContact NE2-O 3.27Å
9	L	98.1	Very high	97.4	Very high	73 Å²	73	71.3 Å²	71.3	38%	0.382	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65	159.1	172	-61.5	171.8	0	0	0	111	Q6 M17 M21 H24	Q6-L9 VanDerWaalsContact NE2-C 3.26Å; Q6-L9 PolarHBondContact NE2-O 3.08Å; L9-M17 HydrophobicContact CB-CE 3.89Å; L9-M17 HydrophobicContact CD1-CE 3.89Å; L9-M17 HydrophobicContact CD2-CE 4.37Å; L9-M17 HydrophobicContact CG-CE 4.26Å; L9-M21 HydrophobicContact CB-CG 4.45Å; L9-M21 HydrophobicContact CD1-CG 3.95Å; L9-H24 HydrophobicContact CD1-CB 4.24Å
10	Q	98.3	Very high	97.4	Very high	31 Å²	31	70 Å²	70	15%	0.145	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-65.9	150.8	168.2	-63.2	-175.2	31.4	0	0	109.9	M1 A12	M1-Q10 VanDerWaalsContact C-CD 3.44Å; M1-Q10 VanDerWaalsContact C-OE1 3.27Å; Q10-A12 PolarHBondContact O-N 3.22Å
11	D	98.1	Very high	97.5	Very high	115 Å²	115	69.1 Å²	69.1	62%	0.615	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-53.5	128.8	174.6	-66.1	-11	0	0	0	110.4
12	A	98.3	Very high	97.7	Very high	11 Å²	11	69.6 Å²	69.6	9%	0.091	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.9	139.2	179.6	0	0	0	0	0	111.5	Q10 M17 E18 M21 S167 R188	Q10-A12 PolarHBondContact O-N 3.22Å; A12-M17 HydrophobicContact CB-CB 3.73Å; A12-M17 HydrophobicContact CB-CG 3.67Å; A12-E18 HydrophobicContact CB-CB 4.29Å; A12-E18 HydrophobicContact CB-CG 3.46Å; A12-E18 VanDerWaalsContact CB-CG 3.46Å; A12-M21 HydrophobicContact CB-SD 3.74Å; A12-S167 CarbonylContact C-O 3.59Å; A12-R188 VanDerWaalsContact O-CZ 3.27Å; A12-R188 PolarHBondContact O-NH1 3.46Å; A12-R188 PolarHBondContact O-NH2 2.91Å
13	T	97.7	Very high	97.7	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.018	36%	0.362	C	S	.	.			trans	-121.2	-7	177.7	59.5	0	0	0	0	112.3	S167 L168 S186 N187 F192	T13-S167 PolarHBondContact N-O 3.22Å; T13-S167 WeakPolarHBondContact OG1-CB 3.48Å; T13-S167 PolarHBondContact OG1-O 3.4Å; T13-S167 PolarHBondContact OG1-OG 2.89Å; T13-S167 VanDerWaalsContact OG1-OG 3.1Å; T13-L168 WeakPolarHBondContact OG1-CD2 3.31Å; T13-L168 VanDerWaalsContact OG1-CG 3.28Å; T13-L168 WeakPolarHBondContact OG1-CG 3.26Å; T13-L168 PolarHBondContact OG1-N 2.75Å; T13-S186 WeakPolarHBondContact O-CA 3.46Å; T13-S186 PolarHBondContact O-OG 2.67Å; T13-N187 PolarHBondContact O-N 3.24Å; T13-N187 VanDerWaalsContact O-N 3.15Å; T13-F192 HydrophobicContact CG2-CD1 3.52Å; T13-F192 HydrophobicContact CG2-CE1 3.09Å; T13-F192 HydrophobicContact CG2-CG 4.44Å; T13-F192 HydrophobicContact CG2-CZ 3.7Å
14	S	96.7	Very high	97.8	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.021	35%	0.354	C	S	.	.	S	Bend	trans	-124.7	156.1	173	68.6	0	0	0	0	110.6	I16 M17 E18 L168 T185	S14-I16 PolarHBondContact O-N 2.91Å; S14-M17 PolarHBondContact O-N 3.06Å; S14-M17 WeakPolarHBondContact OG-CB 3.17Å; S14-M17 PolarHBondContact OG-N 2.95Å; S14-M17 VanDerWaalsContact OG-N 3.12Å; S14-E18 PolarHBondContact O-N 3.1Å; S14-L168 PolarHBondContact OG-O 3.09Å; S14-T185 WeakPolarHBondContact CB-O 3.06Å
15	P	95.4	Very high	97.8	Very high	54 Å²	54	66 Å²	66	35%	0.351	35%	0.346	S	S	.	.	H	α-helix	trans	-56.9	-38	173.5	-23.1	31.6	0	0	0	113.2	M17 E18 E19	P15-M17 PolarHBondContact O-N 2.91Å; P15-E18 WeakPolarHBondContact O-CB 3.43Å; P15-E18 PolarHBondContact O-N 3.27Å; P15-E19 PolarHBondContact O-N 3.37Å; P15-E19 VanDerWaalsContact O-N 3.14Å
16	I	95.8	Very high	97.8	Very high	37 Å²	37	58.8 Å²	58.8	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-41.1	178.7	-66.6	-57.6	0	0	0	111.3	S14 E18 E19 L20 M86 M87	S14-I16 PolarHBondContact O-N 2.91Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 2.86Å; I16-E19 PolarHBondContact O-N 2.96Å; I16-L20 HydrophobicContact CG2-CD1 4.05Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CG 3.32Å; I16-L20 PolarHBondContact O-N 2.91Å; I16-M86 HydrophobicContact CD1-CB 4.41Å; I16-M87 HydrophobicContact CD1-CG 3.93Å; I16-M87 HydrophobicContact CG1-CG 4.29Å; I16-M87 HydrophobicContact CG2-CE 3.88Å; I16-M87 HydrophobicContact CG2-CG 3.54Å; I16-M87 HydrophobicContact CG2-SD 3.78Å
17	M	97.9	Very high	97.9	Very high	11 Å²	11	58.5 Å²	58.5	5%	0.054	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-32.5	178.3	-171.2	61.8	-172.3	0	0	111.9	L9 A12 S14 P15 L20 M21 S167 G169	L9-M17 HydrophobicContact CB-CE 3.89Å; L9-M17 HydrophobicContact CD1-CE 3.89Å; L9-M17 HydrophobicContact CD2-CE 4.37Å; L9-M17 HydrophobicContact CG-CE 4.26Å; A12-M17 HydrophobicContact CB-CB 3.73Å; A12-M17 HydrophobicContact CB-CG 3.67Å; S14-M17 PolarHBondContact O-N 3.06Å; S14-M17 WeakPolarHBondContact OG-CB 3.17Å; S14-M17 PolarHBondContact OG-N 2.95Å; S14-M17 VanDerWaalsContact OG-N 3.12Å; P15-M17 PolarHBondContact O-N 2.91Å; M17-L20 PolarHBondContact O-N 2.95Å; M17-L20 HydrophobicContact SD-CB 4.33Å; M17-L20 HydrophobicContact SD-CD1 4.18Å; M17-M21 HydrophobicContact CE-CG 4.23Å; M17-M21 VanDerWaalsContact O-CG 3.31Å; M17-M21 WeakPolarHBondContact O-CG 3.49Å; M17-M21 PolarHBondContact O-N 3.36Å; M17-S167 WeakPolarHBondContact CB-O 3.47Å; M17-S167 WeakPolarHBondContact CG-O 3.35Å; M17-G169 VanDerWaalsContact SD-CA 3.57Å
18	E	97.9	Very high	97.9	Very high	90 Å²	90	52.9 Å²	52.9	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-45.5	172.6	-65.6	176.6	-163.6	0	0	111.5	A12 S14 P15 I16 L20 M21 N22	A12-E18 HydrophobicContact CB-CB 4.29Å; A12-E18 HydrophobicContact CB-CG 3.46Å; A12-E18 VanDerWaalsContact CB-CG 3.46Å; S14-E18 PolarHBondContact O-N 3.1Å; P15-E18 WeakPolarHBondContact O-CB 3.43Å; P15-E18 PolarHBondContact O-N 3.27Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 2.86Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.12Å; E18-M21 PolarHBondContact O-N 2.83Å; E18-N22 PolarHBondContact O-N 3.42Å; E18-N22 PolarHBondContact O-ND2 3.45Å
19	E	97.9	Very high	98	Very high	62 Å²	62	55.9 Å²	55.9	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-40.4	174.7	-69.6	-65.5	154.5	0	0	112.1	P15 I16 N22 F23 I83 M86	P15-E19 PolarHBondContact O-N 3.37Å; P15-E19 VanDerWaalsContact O-N 3.14Å; I16-E19 PolarHBondContact O-N 2.96Å; E19-N22 PolarHBondContact O-N 2.97Å; E19-F23 WeakPolarHBondContact O-CB 3.49Å; E19-F23 PolarHBondContact O-N 3.28Å; E19-I83 HydrophobicContact CB-CD1 4.14Å; E19-I83 HydrophobicContact CB-CG1 4.19Å; E19-I83 WeakPolarHBondContact O-CD1 3.28Å; E19-M86 HydrophobicContact CG-CE 4.32Å
20	L	98.3	Very high	98	Very high	46 Å²	46	53.2 Å²	53.2	24%	0.241	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-38.9	175.6	-71.9	172	0	0	0	112.3	I16 M17 E18 F23 H24 I83	I16-L20 HydrophobicContact CG2-CD1 4.05Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CG 3.32Å; I16-L20 PolarHBondContact O-N 2.91Å; M17-L20 PolarHBondContact O-N 2.95Å; M17-L20 HydrophobicContact SD-CB 4.33Å; M17-L20 HydrophobicContact SD-CD1 4.18Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.12Å; L20-F23 PolarHBondContact O-N 3.22Å; L20-H24 VanDerWaalsContact O-CB 3.26Å; L20-H24 WeakPolarHBondContact O-CB 3.35Å; L20-H24 PolarHBondContact O-N 2.79Å; L20-I83 HydrophobicContact CD2-CG2 3.9Å; L20-I83 HydrophobicContact CG-CG2 4.39Å
21	M	98.5	Very high	98	Very high	52 Å²	52	55.6 Å²	55.6	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-45.6	174.8	-72.8	-179.3	74.3	0	0	111.3	L9 A12 M17 E18 F23 H24 D25	L9-M21 HydrophobicContact CB-CG 4.45Å; L9-M21 HydrophobicContact CD1-CG 3.95Å; A12-M21 HydrophobicContact CB-SD 3.74Å; M17-M21 HydrophobicContact CE-CG 4.23Å; M17-M21 VanDerWaalsContact O-CG 3.31Å; M17-M21 WeakPolarHBondContact O-CG 3.49Å; M17-M21 PolarHBondContact O-N 3.36Å; E18-M21 PolarHBondContact O-N 2.83Å; M21-F23 VanDerWaalsContact C-N 3.34Å; M21-F23 PolarHBondContact O-N 3.17Å; M21-H24 WeakPolarHBondContact O-CB 3.3Å; M21-H24 PolarHBondContact O-N 2.76Å; M21-D25 PolarHBondContact O-N 3Å
22	N	98.4	Very high	98	Very high	100 Å²	100	56.3 Å²	56.3	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-41.9	177	-68.2	-33.5	0	0	0	112.1	E18 E19 D25 H26	E18-N22 PolarHBondContact O-N 3.42Å; E18-N22 PolarHBondContact O-ND2 3.45Å; E19-N22 PolarHBondContact O-N 2.97Å; N22-D25 PolarHBondContact O-N 2.97Å; N22-H26 PolarHBondContact O-N 3.04Å
23	F	98.7	Very high	98	Very high	43 Å²	43	61.2 Å²	61.2	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-68	-38.1	176.9	173.2	-113.1	0	0	0	112.8	E19 L20 M21 H26 T27 I76 P79 S80 I83	E19-F23 WeakPolarHBondContact O-CB 3.49Å; E19-F23 PolarHBondContact O-N 3.28Å; L20-F23 PolarHBondContact O-N 3.22Å; M21-F23 VanDerWaalsContact C-N 3.34Å; M21-F23 PolarHBondContact O-N 3.17Å; F23-H26 PolarHBondContact O-N 3.2Å; F23-T27 WeakPolarHBondContact CE2-OG1 3.44Å; F23-T27 WeakPolarHBondContact O-CB 3.47Å; F23-T27 PolarHBondContact O-N 2.72Å; F23-T27 PolarHBondContact O-OG1 2.97Å; F23-I76 HydrophobicContact CE2-CG2 4.17Å; F23-I76 WeakPolarHBondContact CE2-O 3.28Å; F23-I76 HydrophobicContact CZ-CG2 4.08Å; F23-P79 HydrophobicContact CD2-CB 4.01Å; F23-P79 HydrophobicContact CD2-CG 4Å; F23-P79 HydrophobicContact CE2-CB 4.43Å; F23-P79 HydrophobicContact CE2-CG 4.03Å; F23-S80 VanDerWaalsContact CZ-CB 3.45Å; F23-I83 HydrophobicContact CB-CD1 3.42Å; F23-I83 VanDerWaalsContact CB-CD1 3.42Å; F23-I83 HydrophobicContact CD1-CD1 4.48Å; F23-I83 HydrophobicContact CG-CD1 3.93Å
24	H	98.7	Very high	98.1	Very high	76 Å²	76	64.7 Å²	64.7	35%	0.352	33%	0.33	S	S	.	.	H	α-helix	trans	-58.2	-48.7	172.3	168.7	-87.3	0	0	0	110.6	L9 L20 M21 H26 T27 L28	L9-H24 HydrophobicContact CD1-CB 4.24Å; L20-H24 VanDerWaalsContact O-CB 3.26Å; L20-H24 WeakPolarHBondContact O-CB 3.35Å; L20-H24 PolarHBondContact O-N 2.79Å; M21-H24 WeakPolarHBondContact O-CB 3.3Å; M21-H24 PolarHBondContact O-N 2.76Å; H24-H26 PolarHBondContact O-N 2.96Å; H24-T27 PolarHBondContact O-N 3.27Å; H24-L28 VanDerWaalsContact O-CB 3.24Å; H24-L28 WeakPolarHBondContact O-CB 3.39Å; H24-L28 PolarHBondContact O-N 3.39Å
25	D	98.6	Very high	98.2	Very high	98 Å²	98	67.4 Å²	67.4	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-40.6	-178.7	-72.1	-4.3	0	0	0	112.3	M21 N22 T27 L28 M29	M21-D25 PolarHBondContact O-N 3Å; N22-D25 PolarHBondContact O-N 2.97Å; D25-T27 PolarHBondContact O-N 2.94Å; D25-L28 PolarHBondContact O-N 3.22Å; D25-M29 WeakPolarHBondContact O-CB 3.4Å; D25-M29 PolarHBondContact O-N 2.88Å
26	H	98.6	Very high	98.3	Very high	55 Å²	55	67.9 Å²	67.9	26%	0.255	35%	0.354	S	S	.	.	H	α-helix	trans	-58.1	-46.2	172.2	174.3	68.8	0	0	0	112	N22 F23 H24 I30 M75	N22-H26 PolarHBondContact O-N 3.04Å; F23-H26 PolarHBondContact O-N 3.2Å; H24-H26 PolarHBondContact O-N 2.96Å; H26-I30 PolarHBondContact O-N 3.44Å; H26-M75 PolarHBondContact NE2-O 2.88Å
27	T	98.7	Very high	98.4	Very high	35 Å²	35	70.6 Å²	70.6	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-41.3	179.5	-55.9	0	0	0	0	111.4	F23 H24 D25 M29 I30 V31	F23-T27 WeakPolarHBondContact CE2-OG1 3.44Å; F23-T27 WeakPolarHBondContact O-CB 3.47Å; F23-T27 PolarHBondContact O-N 2.72Å; F23-T27 PolarHBondContact O-OG1 2.97Å; H24-T27 PolarHBondContact O-N 3.27Å; D25-T27 PolarHBondContact O-N 2.94Å; T27-M29 VanDerWaalsContact C-N 3.34Å; T27-M29 PolarHBondContact O-N 2.89Å; T27-I30 WeakPolarHBondContact O-CB 3.18Å; T27-I30 PolarHBondContact O-N 2.82Å; T27-I30 VanDerWaalsContact O-N 3.14Å; T27-V31 WeakPolarHBondContact O-CG2 3.43Å; T27-V31 PolarHBondContact O-N 2.82Å
28	L	98.6	Very high	98.5	Very high	62 Å²	62	73.6 Å²	73.6	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-38.1	-179.9	-177.3	61	0	0	0	111.7	H24 D25 I30 V31 F32	H24-L28 VanDerWaalsContact O-CB 3.24Å; H24-L28 WeakPolarHBondContact O-CB 3.39Å; H24-L28 PolarHBondContact O-N 3.39Å; D25-L28 PolarHBondContact O-N 3.22Å; L28-I30 VanDerWaalsContact C-N 3.29Å; L28-I30 PolarHBondContact O-N 2.77Å; L28-V31 PolarHBondContact O-N 2.8Å; L28-F32 HydrophobicContact CD1-CD2 3.95Å; L28-F32 HydrophobicContact CD1-CE2 3.64Å; L28-F32 HydrophobicContact CD1-CZ 4.25Å; L28-F32 HydrophobicContact CD2-CD2 4.5Å; L28-F32 HydrophobicContact CD2-CE2 3.88Å; L28-F32 HydrophobicContact CG-CD2 3.76Å; L28-F32 HydrophobicContact CG-CE2 3.56Å; L28-F32 WeakPolarHBondContact O-CD2 3.35Å; L28-F32 PolarHBondContact O-N 2.85Å
29	M	98.6	Very high	98.5	Very high	116 Å²	116	75.1 Å²	75.1	57%	0.571	40%	0.397	S	S	*	.	H	α-helix	trans	-55.5	-45.5	171.8	178.2	-168.5	64.2	0	0	111.4	D25 T27 F32 L33	D25-M29 WeakPolarHBondContact O-CB 3.4Å; D25-M29 PolarHBondContact O-N 2.88Å; T27-M29 VanDerWaalsContact C-N 3.34Å; T27-M29 PolarHBondContact O-N 2.89Å; M29-F32 PolarHBondContact O-N 2.77Å; M29-L33 WeakPolarHBondContact O-CB 3.35Å; M29-L33 PolarHBondContact O-N 3.41Å
30	I	98.5	Very high	98.5	Very high	18 Å²	18	78.7 Å²	78.7	9%	0.092	41%	0.409	C	S	.	.	H	α-helix	trans	-65.8	-42.9	178.6	-64.6	168.6	0	0	0	110.8	H26 T27 L28 F32 L33 I34 I72 I76	H26-I30 PolarHBondContact O-N 3.44Å; T27-I30 WeakPolarHBondContact O-CB 3.18Å; T27-I30 PolarHBondContact O-N 2.82Å; T27-I30 VanDerWaalsContact O-N 3.14Å; L28-I30 VanDerWaalsContact C-N 3.29Å; L28-I30 PolarHBondContact O-N 2.77Å; I30-F32 PolarHBondContact O-N 3.33Å; I30-L33 WeakPolarHBondContact O-CB 3.28Å; I30-L33 PolarHBondContact O-N 2.82Å; I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 WeakPolarHBondContact O-CG1 3.26Å; I30-I34 PolarHBondContact O-N 2.98Å; I30-I72 HydrophobicContact CG2-CG2 3.48Å; I30-I72 VanDerWaalsContact CG2-CG2 3.48Å; I30-I76 HydrophobicContact CD1-CD1 4.05Å; I30-I76 HydrophobicContact CD1-CG1 3.55Å; I30-I76 HydrophobicContact CG2-CD1 4.22Å
31	V	98.6	Very high	98.6	Very high	81 Å²	81	80.3 Å²	80.3	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-43.6	176.6	172.4	0	0	0	0	111.2	T27 L28 I34 S35	T27-V31 WeakPolarHBondContact O-CG2 3.43Å; T27-V31 PolarHBondContact O-N 2.82Å; L28-V31 PolarHBondContact O-N 2.8Å; V31-I34 PolarHBondContact O-N 3.12Å; V31-S35 VanDerWaalsContact O-CB 3.31Å; V31-S35 WeakPolarHBondContact O-CB 3.42Å; V31-S35 PolarHBondContact O-N 2.98Å; V31-S35 PolarHBondContact O-OG 3.18Å
32	F	98.6	Very high	98.5	Very high	130 Å²	130	82.1 Å²	82.1	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-64.1	-40.7	175.5	-83.4	-54.4	0	0	0	112.3	L28 M29 I30 S35 S36	L28-F32 HydrophobicContact CD1-CD2 3.95Å; L28-F32 HydrophobicContact CD1-CE2 3.64Å; L28-F32 HydrophobicContact CD1-CZ 4.25Å; L28-F32 HydrophobicContact CD2-CD2 4.5Å; L28-F32 HydrophobicContact CD2-CE2 3.88Å; L28-F32 HydrophobicContact CG-CD2 3.76Å; L28-F32 HydrophobicContact CG-CE2 3.56Å; L28-F32 WeakPolarHBondContact O-CD2 3.35Å; L28-F32 PolarHBondContact O-N 2.85Å; M29-F32 PolarHBondContact O-N 2.77Å; I30-F32 PolarHBondContact O-N 3.33Å; F32-S35 WeakPolarHBondContact CA-OG 3.37Å; F32-S35 PolarHBondContact O-OG 2.75Å; F32-S36 VanDerWaalsContact O-CB 3.26Å; F32-S36 WeakPolarHBondContact O-CB 3.27Å; F32-S36 PolarHBondContact O-N 3.31Å; F32-S36 PolarHBondContact O-OG 3.38Å
33	L	98.4	Very high	98.5	Very high	113 Å²	113	80 Å²	80	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-61.1	-49.1	176.5	-178.2	68.9	0	0	0	111.4	M29 I30 S36 L37	M29-L33 WeakPolarHBondContact O-CB 3.35Å; M29-L33 PolarHBondContact O-N 3.41Å; I30-L33 WeakPolarHBondContact O-CB 3.28Å; I30-L33 PolarHBondContact O-N 2.82Å; L33-S36 PolarHBondContact O-OG 3.16Å; L33-L37 VanDerWaalsContact O-CB 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 PolarHBondContact O-N 2.71Å
34	I	98.4	Very high	98.5	Very high	76 Å²	76	82 Å²	82	39%	0.39	43%	0.432	S	S	.	.	H	α-helix	trans	-67.4	-46.2	-178.6	-65.3	171.9	0	0	0	110.9	I30 V31 S36 L37 V38 I72	I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 WeakPolarHBondContact O-CG1 3.26Å; I30-I34 PolarHBondContact O-N 2.98Å; V31-I34 PolarHBondContact O-N 3.12Å; I34-S36 PolarHBondContact O-N 2.8Å; I34-L37 PolarHBondContact O-N 2.84Å; I34-V38 HydrophobicContact CG2-CG2 4.34Å; I34-V38 WeakPolarHBondContact O-CG2 3.4Å; I34-V38 PolarHBondContact O-N 2.93Å; I34-I72 HydrophobicContact CD1-CD1 4.34Å; I34-I72 HydrophobicContact CD1-CG2 4.39Å
35	S	98.6	Very high	98.5	Very high	61 Å²	61	84.9 Å²	84.9	43%	0.427	45%	0.447	S	S	.	.	H	α-helix	trans	-64	-41	-178.7	56.2	0	0	0	0	112.2	V31 F32 L39	V31-S35 VanDerWaalsContact O-CB 3.31Å; V31-S35 WeakPolarHBondContact O-CB 3.42Å; V31-S35 PolarHBondContact O-N 2.98Å; V31-S35 PolarHBondContact O-OG 3.18Å; F32-S35 WeakPolarHBondContact CA-OG 3.37Å; F32-S35 PolarHBondContact O-OG 2.75Å; S35-L39 WeakPolarHBondContact O-CB 3.38Å; S35-L39 PolarHBondContact O-N 3.19Å
36	S	98.6	Very high	98.4	Very high	64 Å²	64	86.8 Å²	86.8	45%	0.448	46%	0.456	S	S	.	.	H	α-helix	trans	-67.5	-39	174.8	61.6	0	0	0	0	112.6	F32 L33 I34 L39 Y40	F32-S36 VanDerWaalsContact O-CB 3.26Å; F32-S36 WeakPolarHBondContact O-CB 3.27Å; F32-S36 PolarHBondContact O-N 3.31Å; F32-S36 PolarHBondContact O-OG 3.38Å; L33-S36 PolarHBondContact O-OG 3.16Å; I34-S36 PolarHBondContact O-N 2.8Å; S36-L39 PolarHBondContact O-N 3.32Å; S36-Y40 VanDerWaalsContact O-CB 3.29Å; S36-Y40 WeakPolarHBondContact O-CB 3.4Å; S36-Y40 PolarHBondContact O-N 3.2Å
37	L	98.4	Very high	98.4	Very high	93 Å²	93	89.4 Å²	89.4	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-47.8	174.5	176.4	64.5	0	0	0	111.7	L33 I34 Y40 I41	L33-L37 VanDerWaalsContact O-CB 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 PolarHBondContact O-N 2.71Å; I34-L37 PolarHBondContact O-N 2.84Å; L37-Y40 WeakPolarHBondContact O-CB 3.13Å; L37-Y40 PolarHBondContact O-N 2.83Å; L37-I41 HydrophobicContact CD1-CD1 4.02Å; L37-I41 HydrophobicContact CD1-CG1 4.33Å; L37-I41 HydrophobicContact CG-CD1 3.98Å; L37-I41 WeakPolarHBondContact O-CG1 3.15Å; L37-I41 PolarHBondContact O-N 2.98Å
38	V	98.6	Very high	98.4	Very high	74 Å²	74	91.5 Å²	91.5	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-45.7	178.8	171.7	0	0	0	0	110.5	I34 Y40 I41 I42	I34-V38 HydrophobicContact CG2-CG2 4.34Å; I34-V38 WeakPolarHBondContact O-CG2 3.4Å; I34-V38 PolarHBondContact O-N 2.93Å; V38-Y40 VanDerWaalsContact C-N 3.29Å; V38-Y40 PolarHBondContact O-N 3.37Å; V38-I41 PolarHBondContact O-N 2.76Å; V38-I42 HydrophobicContact CG1-CD1 3.88Å; V38-I42 HydrophobicContact CG1-CG1 4.5Å; V38-I42 WeakPolarHBondContact O-CG1 3.48Å; V38-I42 PolarHBondContact O-N 3.45Å
39	L	98.6	Very high	98.3	Very high	122 Å²	122	98.4 Å²	98.4	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-58.9	-43.3	176.2	-179.7	62.1	0	0	0	111.5	S35 S36 I42 S43	S35-L39 WeakPolarHBondContact O-CB 3.38Å; S35-L39 PolarHBondContact O-N 3.19Å; S36-L39 PolarHBondContact O-N 3.32Å; L39-I42 PolarHBondContact O-N 3.22Å; L39-S43 PolarHBondContact O-N 3.02Å
40	Y	98.6	Very high	98.3	Very high	137 Å²	137	100 Å²	100	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-48.6	176.6	174.4	-104.9	0	0	0	111.8	S36 L37 V38 I42 S43 L44	S36-Y40 VanDerWaalsContact O-CB 3.29Å; S36-Y40 WeakPolarHBondContact O-CB 3.4Å; S36-Y40 PolarHBondContact O-N 3.2Å; L37-Y40 WeakPolarHBondContact O-CB 3.13Å; L37-Y40 PolarHBondContact O-N 2.83Å; V38-Y40 VanDerWaalsContact C-N 3.29Å; V38-Y40 PolarHBondContact O-N 3.37Å; Y40-I42 VanDerWaalsContact C-N 3.33Å; Y40-I42 PolarHBondContact O-N 2.88Å; Y40-S43 PolarHBondContact O-N 3.02Å; Y40-S43 VanDerWaalsContact O-N 3.14Å; Y40-S43 PolarHBondContact O-OG 2.92Å; Y40-L44 HydrophobicContact CE1-CD2 4.33Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 PolarHBondContact O-N 3.47Å
41	I	98.4	Very high	98.3	Very high	81 Å²	81	105.3 Å²	105.3	42%	0.415	56%	0.56	S	S	.	*	H	α-helix	trans	-59.3	-44.2	178.1	-68.6	167.8	0	0	0	110.7	L37 V38 S43 L44 M45	L37-I41 HydrophobicContact CD1-CD1 4.02Å; L37-I41 HydrophobicContact CD1-CG1 4.33Å; L37-I41 HydrophobicContact CG-CD1 3.98Å; L37-I41 WeakPolarHBondContact O-CG1 3.15Å; L37-I41 PolarHBondContact O-N 2.98Å; V38-I41 PolarHBondContact O-N 2.76Å; I41-S43 VanDerWaalsContact C-N 3.34Å; I41-S43 PolarHBondContact O-N 2.9Å; I41-L44 PolarHBondContact O-N 3.11Å; I41-M45 HydrophobicContact CG2-CG 4.18Å; I41-M45 WeakPolarHBondContact O-CB 3.42Å; I41-M45 VanDerWaalsContact O-CG 3.28Å; I41-M45 WeakPolarHBondContact O-CG 3.42Å; I41-M45 PolarHBondContact O-N 3.43Å
42	I	98.4	Very high	98.1	Very high	90 Å²	90	106.9 Å²	106.9	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-58.5	-47.8	176.1	-68.6	167.3	0	0	0	110.3	V38 L39 Y40 L44 M45 L46	V38-I42 HydrophobicContact CG1-CD1 3.88Å; V38-I42 HydrophobicContact CG1-CG1 4.5Å; V38-I42 WeakPolarHBondContact O-CG1 3.48Å; V38-I42 PolarHBondContact O-N 3.45Å; L39-I42 PolarHBondContact O-N 3.22Å; Y40-I42 VanDerWaalsContact C-N 3.33Å; Y40-I42 PolarHBondContact O-N 2.88Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 3.14Å; I42-M45 PolarHBondContact O-N 3.45Å; I42-L46 HydrophobicContact CG2-CD1 3.78Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.23Å; I42-L46 PolarHBondContact O-N 3.45Å
43	S	98.4	Very high	98	Very high	55 Å²	55	107 Å²	107	39%	0.385	57%	0.574	S	S	.	*	H	α-helix	trans	-62.8	-37.7	178.7	76.2	0	0	0	0	112.7	L39 Y40 I41 T47	L39-S43 PolarHBondContact O-N 3.02Å; Y40-S43 PolarHBondContact O-N 3.02Å; Y40-S43 VanDerWaalsContact O-N 3.14Å; Y40-S43 PolarHBondContact O-OG 2.92Å; I41-S43 VanDerWaalsContact C-N 3.34Å; I41-S43 PolarHBondContact O-N 2.9Å; S43-T47 WeakPolarHBondContact O-CB 3.36Å; S43-T47 WeakPolarHBondContact O-CG2 3.34Å; S43-T47 PolarHBondContact O-N 2.82Å; S43-T47 PolarHBondContact O-OG1 2.88Å
44	L	98.3	Very high	98	Very high	86 Å²	86	107.2 Å²	107.2	45%	0.45	58%	0.576	S	S	.	*	H	α-helix	trans	-66.6	-47.1	179	-179.9	66.2	0	0	0	111.2	Y40 I41 I42 L46 T47	Y40-L44 HydrophobicContact CE1-CD2 4.33Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 PolarHBondContact O-N 3.47Å; I41-L44 PolarHBondContact O-N 3.11Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 3.14Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-N 2.77Å; L44-T47 PolarHBondContact O-OG1 2.84Å
45	M	97.1	Very high	97.9	Very high	135 Å²	135	110.4 Å²	110.4	67%	0.665	60%	0.599	S	S	*	*	H	α-helix	trans	-66.4	-29.8	-177.8	-67.8	-55.6	-66.2	0	0	112.7	I41 I42	I41-M45 HydrophobicContact CG2-CG 4.18Å; I41-M45 WeakPolarHBondContact O-CB 3.42Å; I41-M45 VanDerWaalsContact O-CG 3.28Å; I41-M45 WeakPolarHBondContact O-CG 3.42Å; I41-M45 PolarHBondContact O-N 3.43Å; I42-M45 PolarHBondContact O-N 3.45Å
46	L	98.1	Very high	97.9	Very high	138 Å²	138	114.6 Å²	114.6	72%	0.723	61%	0.613	S	S	*	*	H	α-helix	trans	-87.9	-15.5	-177.4	-66.1	175.6	0	0	0	114.7	I42 L44	I42-L46 HydrophobicContact CG2-CD1 3.78Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.23Å; I42-L46 PolarHBondContact O-N 3.45Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 3.27Å
47	T	98.3	Very high	97.8	Very high	111 Å²	111	118 Å²	118	68%	0.681	63%	0.626	S	S	*	*	H	α-helix	trans	-99.2	-13.2	-169.4	48.1	0	0	0	0	114.6	S43 L44	S43-T47 WeakPolarHBondContact O-CB 3.36Å; S43-T47 WeakPolarHBondContact O-CG2 3.34Å; S43-T47 PolarHBondContact O-N 2.82Å; S43-T47 PolarHBondContact O-OG1 2.88Å; L44-T47 PolarHBondContact O-N 2.77Å; L44-T47 PolarHBondContact O-OG1 2.84Å
48	T	97.8	Very high	97.7	Very high	78 Å²	78	115.3 Å²	115.3	48%	0.479	62%	0.617	S	S	.	*			trans	-83.8	143.9	178.8	-173	0	0	0	0	112.4	L50	T48-L50 PolarHBondContact OG1-N 3.26Å
49	K	97.4	Very high	97.7	Very high	208 Å²	208	117.1 Å²	117.1	90%	0.904	62%	0.621	S	S	*	*			trans	-87.9	-12.7	169.4	-65.5	-173.9	-179.6	-178.7	0	112.9
50	L	98.3	Very high	97.6	Very high	149 Å²	149	118.2 Å²	118.2	78%	0.78	62%	0.623	S	S	*	*			trans	-69.8	142.2	180	-60.6	175.9	0	0	0	109.4	T48	T48-L50 PolarHBondContact OG1-N 3.26Å
51	T	97.7	Very high	97.5	Very high	129 Å²	129	115 Å²	115	79%	0.791	62%	0.617	S	S	*	*			trans	-124.1	141	-178.6	54.8	0	0	0	0	110.8
52	H	96.4	Very high	97.5	Very high	114 Å²	114	115 Å²	115	53%	0.528	62%	0.616	S	S	.	*			trans	-140	109.3	167.6	-177.1	-94.7	0	0	0	107.8	N54 M56	H52-N54 PolarHBondContact CE1-O 3.1Å; H52-M56 VanDerWaalsContact CE1-CG 3.4Å; H52-M56 WeakPolarHBondContact CE1-CG 3.31Å; H52-M56 WeakPolarHBondContact ND1-CG 3.33Å; H52-M56 PolarHBondContact ND1-SD 2.92Å
53	T	96.6	Very high	97.5	Very high	134 Å²	134	113.7 Å²	113.7	82%	0.822	61%	0.612	S	S	*	*			trans	-114.5	-0.4	-175.7	52.8	0	0	0	0	113
54	N	97.6	Very high	97.4	Very high	117 Å²	117	116.3 Å²	116.3	63%	0.626	62%	0.621	S	S	*	*	S	Bend	trans	-73.7	162	174.9	-64.1	-24.1	0	0	0	110.3	H52 M56	H52-N54 PolarHBondContact CE1-O 3.1Å; N54-M56 PolarHBondContact O-N 3.17Å
55	T	96.7	Very high	97.4	Very high	143 Å²	143	119 Å²	119	88%	0.877	63%	0.625	S	S	*	*			trans	-56.4	125.7	175.1	51	0	0	0	0	110.9
56	M	97.1	Very high	97.4	Very high	148 Å²	148	117 Å²	117	73%	0.729	62%	0.62	S	S	*	*			trans	-105.7	137.7	171	-63.7	-175.7	74.2	0	0	108.8	H52 N54	H52-M56 VanDerWaalsContact CE1-CG 3.4Å; H52-M56 WeakPolarHBondContact CE1-CG 3.31Å; H52-M56 WeakPolarHBondContact ND1-CG 3.33Å; H52-M56 PolarHBondContact ND1-SD 2.92Å; N54-M56 PolarHBondContact O-N 3.17Å
57	D	97.3	Very high	97.5	Very high	136 Å²	136	115.3 Å²	115.3	73%	0.727	61%	0.611	S	S	*	*			trans	-72.8	140.7	171	-175.4	47.6	0	0	0	110.3
58	A	97.1	Very high	97.4	Very high	36 Å²	36	114.8 Å²	114.8	30%	0.298	60%	0.603	S	S	.	*			trans	-111.4	-16.2	-169.7	0	0	0	0	0	114	E60 V61 E62	A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 3.25Å; A58-V61 WeakPolarHBondContact O-CG1 3.17Å; A58-V61 PolarHBondContact O-N 2.67Å; A58-E62 HydrophobicContact CB-CG 4.45Å; A58-E62 WeakPolarHBondContact O-CB 3.45Å; A58-E62 WeakPolarHBondContact O-CG 3.49Å; A58-E62 PolarHBondContact O-N 2.91Å
59	Q	97	Very high	97.5	Very high	113 Å²	113	114 Å²	114	53%	0.528	60%	0.599	S	S	.	*	H	α-helix	trans	-59.1	-41.9	-167.9	-172.8	62.9	39.7	0	0	113.3	T63	Q59-T63 PolarHBondContact O-N 3.24Å; Q59-T63 VanDerWaalsContact O-N 3.14Å; Q59-T63 PolarHBondContact O-OG1 3Å
60	E	96.4	Very high	97.5	Very high	144 Å²	144	106.4 Å²	106.4	67%	0.673	58%	0.575	S	S	*	*	H	α-helix	trans	-67.1	-42.8	-179.2	-64.1	-61	153.8	0	0	111.9	A58 T63 I64	A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 3.25Å; E60-T63 PolarHBondContact O-N 3.17Å; E60-I64 WeakPolarHBondContact O-CG1 3.37Å; E60-I64 PolarHBondContact O-N 2.9Å
61	V	96.9	Very high	97.5	Very high	69 Å²	69	103 Å²	103	42%	0.418	56%	0.561	S	S	.	*	H	α-helix	trans	-73.4	-34.2	179.6	69	0	0	0	0	111.7	A58 T63 I64 W65	A58-V61 WeakPolarHBondContact O-CG1 3.17Å; A58-V61 PolarHBondContact O-N 2.67Å; V61-T63 VanDerWaalsContact C-N 3.32Å; V61-T63 PolarHBondContact O-N 3.21Å; V61-I64 PolarHBondContact O-N 3.31Å; V61-W65 HydrophobicContact CB-CE3 4.41Å; V61-W65 HydrophobicContact CB-CZ3 4.23Å; V61-W65 HydrophobicContact CG1-CE3 4.26Å; V61-W65 HydrophobicContact CG1-CH2 3.88Å; V61-W65 HydrophobicContact CG1-CZ3 3.64Å; V61-W65 HydrophobicContact CG2-CE3 3.6Å; V61-W65 HydrophobicContact CG2-CZ3 3.66Å; V61-W65 PolarHBondContact O-N 2.88Å
62	E	98.3	Very high	97.6	Very high	82 Å²	82	98.7 Å²	98.7	38%	0.383	53%	0.532	S	S	.	.	H	α-helix	trans	-59.4	-44.2	174.1	-83.2	-179.5	-165.7	0	0	112	A58 I64 W65 T66	A58-E62 HydrophobicContact CB-CG 4.45Å; A58-E62 WeakPolarHBondContact O-CB 3.45Å; A58-E62 WeakPolarHBondContact O-CG 3.49Å; A58-E62 PolarHBondContact O-N 2.91Å; E62-I64 VanDerWaalsContact C-N 3.29Å; E62-I64 PolarHBondContact O-N 2.89Å; E62-W65 HydrophobicContact CB-CZ2 4.23Å; E62-W65 HydrophobicContact CG-CH2 4.03Å; E62-W65 HydrophobicContact CG-CZ2 3.25Å; E62-W65 VanDerWaalsContact O-CD1 3.29Å; E62-W65 PolarHBondContact O-N 2.85Å; E62-T66 WeakPolarHBondContact O-CB 3.36Å; E62-T66 PolarHBondContact O-N 3.36Å; E62-T66 VanDerWaalsContact O-N 3.09Å; E62-T66 PolarHBondContact O-OG1 3Å; E62-T66 VanDerWaalsContact O-OG1 3.07Å
63	T	98	Very high	97.7	Very high	62 Å²	62	98.9 Å²	98.9	38%	0.38	54%	0.537	S	S	.	.	H	α-helix	trans	-60	-41.9	177.6	-56.2	0	0	0	0	111.2	Q59 E60 V61 I67	Q59-T63 PolarHBondContact O-N 3.24Å; Q59-T63 VanDerWaalsContact O-N 3.14Å; Q59-T63 PolarHBondContact O-OG1 3Å; E60-T63 PolarHBondContact O-N 3.17Å; V61-T63 VanDerWaalsContact C-N 3.32Å; V61-T63 PolarHBondContact O-N 3.21Å; T63-I67 HydrophobicContact CG2-CD1 3.73Å; T63-I67 WeakPolarHBondContact O-CB 3.48Å; T63-I67 WeakPolarHBondContact O-CG1 3.48Å; T63-I67 PolarHBondContact O-N 3.03Å; T63-I67 VanDerWaalsContact O-N 3.1Å
64	I	97.7	Very high	97.8	Very high	111 Å²	111	97.2 Å²	97.2	57%	0.569	52%	0.522	S	S	*	.	H	α-helix	trans	-67.4	-52.2	-179.7	-64.2	168.4	0	0	0	111.3	E60 V61 E62 T66 I67 L68	E60-I64 WeakPolarHBondContact O-CG1 3.37Å; E60-I64 PolarHBondContact O-N 2.9Å; V61-I64 PolarHBondContact O-N 3.31Å; E62-I64 VanDerWaalsContact C-N 3.29Å; E62-I64 PolarHBondContact O-N 2.89Å; I64-T66 PolarHBondContact O-N 3.26Å; I64-I67 PolarHBondContact O-N 3.44Å; I64-L68 VanDerWaalsContact O-CB 3.27Å; I64-L68 WeakPolarHBondContact O-CB 3.19Å; I64-L68 PolarHBondContact O-N 3.23Å
65	W	97.6	Very high	97.8	Very high	142 Å²	142	96.6 Å²	96.6	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-8.6	-176.4	71.8	41.1	0	0	0	113.7	V61 E62 P69	V61-W65 HydrophobicContact CB-CE3 4.41Å; V61-W65 HydrophobicContact CB-CZ3 4.23Å; V61-W65 HydrophobicContact CG1-CE3 4.26Å; V61-W65 HydrophobicContact CG1-CH2 3.88Å; V61-W65 HydrophobicContact CG1-CZ3 3.64Å; V61-W65 HydrophobicContact CG2-CE3 3.6Å; V61-W65 HydrophobicContact CG2-CZ3 3.66Å; V61-W65 PolarHBondContact O-N 2.88Å; E62-W65 HydrophobicContact CB-CZ2 4.23Å; E62-W65 HydrophobicContact CG-CH2 4.03Å; E62-W65 HydrophobicContact CG-CZ2 3.25Å; E62-W65 VanDerWaalsContact O-CD1 3.29Å; E62-W65 PolarHBondContact O-N 2.85Å; W65-P69 VanDerWaalsContact C-CD 3.49Å; W65-P69 WeakPolarHBondContact O-CD 3.31Å; W65-P69 WeakPolarHBondContact O-CG 3.48Å
66	T	98.2	Very high	97.9	Very high	92 Å²	92	91.6 Å²	91.6	56%	0.564	48%	0.484	S	S	*	.	H	α-helix	trans	-92.5	-46.2	173.1	-66.1	0	0	0	0	111	E62 I64 A70	E62-T66 WeakPolarHBondContact O-CB 3.36Å; E62-T66 PolarHBondContact O-N 3.36Å; E62-T66 VanDerWaalsContact O-N 3.09Å; E62-T66 PolarHBondContact O-OG1 3Å; E62-T66 VanDerWaalsContact O-OG1 3.07Å; I64-T66 PolarHBondContact O-N 3.26Å; T66-A70 PolarHBondContact O-N 3.38Å
67	I	98.5	Very high	97.9	Very high	103 Å²	103	86.6 Å²	86.6	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-70	-42.4	-178.8	-66.4	175.3	0	0	0	111.1	T63 I64 A70 V71	T63-I67 HydrophobicContact CG2-CD1 3.73Å; T63-I67 WeakPolarHBondContact O-CB 3.48Å; T63-I67 WeakPolarHBondContact O-CG1 3.48Å; T63-I67 PolarHBondContact O-N 3.03Å; T63-I67 VanDerWaalsContact O-N 3.1Å; I64-I67 PolarHBondContact O-N 3.44Å; I67-A70 WeakPolarHBondContact O-CB 3.43Å; I67-A70 PolarHBondContact O-N 3.44Å; I67-V71 HydrophobicContact CG2-CG2 4.45Å; I67-V71 PolarHBondContact O-N 2.88Å; I67-V71 VanDerWaalsContact O-N 3.08Å
68	L	97.7	Very high	97.9	Very high	100 Å²	100	85.5 Å²	85.5	52%	0.524	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-48.3	-174.6	-176.9	69.2	0	0	0	112.7	I64 A70 V71 I72	I64-L68 VanDerWaalsContact O-CB 3.27Å; I64-L68 WeakPolarHBondContact O-CB 3.19Å; I64-L68 PolarHBondContact O-N 3.23Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.42Å; L68-V71 PolarHBondContact O-N 3.34Å; L68-I72 HydrophobicContact CG-CD1 4.37Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 2.94Å; L68-I72 VanDerWaalsContact O-N 3.12Å
69	P	98.3	Very high	98	Very high	61 Å²	61	85.9 Å²	85.9	40%	0.396	46%	0.459	S	S	.	.	H	α-helix	trans	-62.7	-34.3	173.7	-26.8	39.3	0	0	0	113.6	W65 V71 I72 L73	W65-P69 VanDerWaalsContact C-CD 3.49Å; W65-P69 WeakPolarHBondContact O-CD 3.31Å; W65-P69 WeakPolarHBondContact O-CG 3.48Å; P69-V71 VanDerWaalsContact C-N 3.33Å; P69-V71 PolarHBondContact O-N 3.07Å; P69-I72 PolarHBondContact O-N 3.37Å; P69-L73 WeakPolarHBondContact O-CG 3.24Å; P69-L73 PolarHBondContact O-N 3.07Å
70	A	98.5	Very high	98.1	Very high	49 Å²	49	82.7 Å²	82.7	41%	0.405	45%	0.449	S	S	.	.	H	α-helix	trans	-60.9	-42.7	176.1	0	0	0	0	0	111.7	T66 I67 L68 L73 I74	T66-A70 PolarHBondContact O-N 3.38Å; I67-A70 WeakPolarHBondContact O-CB 3.43Å; I67-A70 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.42Å; A70-L73 PolarHBondContact O-N 2.85Å; A70-I74 WeakPolarHBondContact O-CG1 3.34Å; A70-I74 PolarHBondContact O-N 3.31Å
71	V	98.6	Very high	98.1	Very high	77 Å²	77	80 Å²	80	47%	0.467	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-42.7	174.5	174.6	0	0	0	0	111.3	I67 L68 P69 L73 I74 M75	I67-V71 HydrophobicContact CG2-CG2 4.45Å; I67-V71 PolarHBondContact O-N 2.88Å; I67-V71 VanDerWaalsContact O-N 3.08Å; L68-V71 PolarHBondContact O-N 3.34Å; P69-V71 VanDerWaalsContact C-N 3.33Å; P69-V71 PolarHBondContact O-N 3.07Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 2.88Å; V71-I74 PolarHBondContact O-N 2.94Å; V71-M75 WeakPolarHBondContact O-CG 3.26Å; V71-M75 PolarHBondContact O-N 3.28Å; V71-M75 VanDerWaalsContact O-N 3.09Å
72	I	98.4	Very high	98.1	Very high	39 Å²	39	84.1 Å²	84.1	20%	0.2	45%	0.447	C	S	.	.	H	α-helix	trans	-59.8	-43.2	177.2	-67.8	169.5	0	0	0	111.1	I30 I34 L68 P69 I74 M75 I76	I30-I72 HydrophobicContact CG2-CG2 3.48Å; I30-I72 VanDerWaalsContact CG2-CG2 3.48Å; I34-I72 HydrophobicContact CD1-CD1 4.34Å; I34-I72 HydrophobicContact CD1-CG2 4.39Å; L68-I72 HydrophobicContact CG-CD1 4.37Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 2.94Å; L68-I72 VanDerWaalsContact O-N 3.12Å; P69-I72 PolarHBondContact O-N 3.37Å; I72-I74 VanDerWaalsContact C-N 3.33Å; I72-I74 PolarHBondContact O-N 2.9Å; I72-M75 WeakPolarHBondContact O-CB 3.1Å; I72-M75 PolarHBondContact O-N 3.29Å; I72-I76 HydrophobicContact CG2-CD1 4.16Å; I72-I76 PolarHBondContact O-N 2.86Å; I72-I76 VanDerWaalsContact O-N 3.14Å
73	L	98.6	Very high	98.1	Very high	118 Å²	118	80.7 Å²	80.7	62%	0.618	43%	0.431	S	S	*	.	H	α-helix	trans	-61.9	-40	177.6	-71.1	177	0	0	0	112.2	P69 A70 V71 M75 I76 A77	P69-L73 WeakPolarHBondContact O-CG 3.24Å; P69-L73 PolarHBondContact O-N 3.07Å; A70-L73 PolarHBondContact O-N 2.85Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 2.88Å; L73-M75 VanDerWaalsContact C-N 3.32Å; L73-M75 PolarHBondContact O-N 3.07Å; L73-I76 PolarHBondContact O-N 3.22Å; L73-A77 VanDerWaalsContact O-CB 3.29Å; L73-A77 WeakPolarHBondContact O-CB 3.33Å; L73-A77 PolarHBondContact O-N 2.89Å
74	I	98.4	Very high	98.1	Very high	99 Å²	99	82.6 Å²	82.6	51%	0.508	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-42.4	175.3	-66.5	168.1	0	0	0	110.7	A70 V71 I72 I76 A77 L78	A70-I74 WeakPolarHBondContact O-CG1 3.34Å; A70-I74 PolarHBondContact O-N 3.31Å; V71-I74 PolarHBondContact O-N 2.94Å; I72-I74 VanDerWaalsContact C-N 3.33Å; I72-I74 PolarHBondContact O-N 2.9Å; I74-I76 PolarHBondContact O-N 3.13Å; I74-A77 PolarHBondContact O-N 3.21Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 HydrophobicContact CG2-CG 4.23Å; I74-L78 WeakPolarHBondContact O-CG 3.4Å; I74-L78 PolarHBondContact O-N 3.38Å; I74-L78 VanDerWaalsContact O-N 3.08Å
75	M	97.9	Very high	97.9	Very high	104 Å²	104	85 Å²	85	51%	0.512	44%	0.441	S	S	.	.	H	α-helix	trans	-64.8	-25.3	178.5	-68	-63.1	-66.5	0	0	113.6	H26 V71 I72 L73 P79	H26-M75 PolarHBondContact NE2-O 2.88Å; V71-M75 WeakPolarHBondContact O-CG 3.26Å; V71-M75 PolarHBondContact O-N 3.28Å; V71-M75 VanDerWaalsContact O-N 3.09Å; I72-M75 WeakPolarHBondContact O-CB 3.1Å; I72-M75 PolarHBondContact O-N 3.29Å; L73-M75 VanDerWaalsContact C-N 3.32Å; L73-M75 PolarHBondContact O-N 3.07Å; M75-P79 VanDerWaalsContact O-CD 3.26Å; M75-P79 WeakPolarHBondContact O-CD 3.03Å; M75-P79 WeakPolarHBondContact O-CG 3.39Å
76	I	98.6	Very high	97.7	Very high	39 Å²	39	81.5 Å²	81.5	20%	0.2	43%	0.432	C	S	.	.	H	α-helix	trans	-83.7	-43.7	172.1	-63.6	168	0	0	0	110.4	F23 I30 I72 L73 I74 L78 P79 S80	F23-I76 HydrophobicContact CE2-CG2 4.17Å; F23-I76 WeakPolarHBondContact CE2-O 3.28Å; F23-I76 HydrophobicContact CZ-CG2 4.08Å; I30-I76 HydrophobicContact CD1-CD1 4.05Å; I30-I76 HydrophobicContact CD1-CG1 3.55Å; I30-I76 HydrophobicContact CG2-CD1 4.22Å; I72-I76 HydrophobicContact CG2-CD1 4.16Å; I72-I76 PolarHBondContact O-N 2.86Å; I72-I76 VanDerWaalsContact O-N 3.14Å; L73-I76 PolarHBondContact O-N 3.22Å; I74-I76 PolarHBondContact O-N 3.13Å; I76-L78 PolarHBondContact O-N 2.79Å; I76-P79 WeakPolarHBondContact O-CD 3.36Å; I76-P79 WeakPolarHBondContact O-CG 3.48Å; I76-S80 WeakPolarHBondContact O-CB 3.47Å; I76-S80 PolarHBondContact O-N 3.35Å
77	A	98.4	Very high	97.4	Very high	42 Å²	42	81 Å²	81	35%	0.347	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-39.5	-173.2	0	0	0	0	0	113.1	L73 I74 S80 L81	L73-A77 VanDerWaalsContact O-CB 3.29Å; L73-A77 WeakPolarHBondContact O-CB 3.33Å; L73-A77 PolarHBondContact O-N 2.89Å; I74-A77 PolarHBondContact O-N 3.21Å; A77-S80 WeakPolarHBondContact O-CB 3.38Å; A77-S80 PolarHBondContact O-N 3.16Å; A77-L81 WeakPolarHBondContact O-CB 3.43Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.31Å; A77-L81 PolarHBondContact O-N 3.23Å
78	L	97.8	Very high	96.9	Very high	114 Å²	114	82 Å²	82	60%	0.597	43%	0.431	S	S	*	.	H	α-helix	trans	-59.7	-54.9	-177.8	-70.5	175.4	0	0	0	113.8	I74 I76 S80 R82	I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 HydrophobicContact CG2-CG 4.23Å; I74-L78 WeakPolarHBondContact O-CG 3.4Å; I74-L78 PolarHBondContact O-N 3.38Å; I74-L78 VanDerWaalsContact O-N 3.08Å; I76-L78 PolarHBondContact O-N 2.79Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.91Å; L78-R82 PolarHBondContact O-N 3.05Å
79	P	98	Very high	96.2	Very high	43 Å²	43	83.5 Å²	83.5	28%	0.279	44%	0.435	S	S	.	.	H	α-helix	trans	-65.7	-34.6	175.7	24.9	-33.1	0	0	0	112.4	F23 M75 I76 R82 I83	F23-P79 HydrophobicContact CD2-CB 4.01Å; F23-P79 HydrophobicContact CD2-CG 4Å; F23-P79 HydrophobicContact CE2-CB 4.43Å; F23-P79 HydrophobicContact CE2-CG 4.03Å; M75-P79 VanDerWaalsContact O-CD 3.26Å; M75-P79 WeakPolarHBondContact O-CD 3.03Å; M75-P79 WeakPolarHBondContact O-CG 3.39Å; I76-P79 WeakPolarHBondContact O-CD 3.36Å; I76-P79 WeakPolarHBondContact O-CG 3.48Å; P79-R82 PolarHBondContact O-N 3.15Å; P79-I83 WeakPolarHBondContact O-CG1 3.41Å; P79-I83 PolarHBondContact O-N 3.46Å; P79-I83 VanDerWaalsContact O-N 3.12Å
80	S	98.4	Very high	94.7	Very high	46 Å²	46	85.3 Å²	85.3	32%	0.322	44%	0.44	S	S	.	.	H	α-helix	trans	-59.1	-51.2	177.1	-176.3	0	0	0	0	112.2	F23 I76 A77 L78 R82 I83 L84	F23-S80 VanDerWaalsContact CZ-CB 3.45Å; I76-S80 WeakPolarHBondContact O-CB 3.47Å; I76-S80 PolarHBondContact O-N 3.35Å; A77-S80 WeakPolarHBondContact O-CB 3.38Å; A77-S80 PolarHBondContact O-N 3.16Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.91Å; S80-R82 VanDerWaalsContact C-N 3.33Å; S80-R82 PolarHBondContact O-N 3.17Å; S80-I83 PolarHBondContact O-N 3.37Å; S80-L84 PolarHBondContact O-N 3.38Å
81	L	97.9	Very high	93.5	Very high	87 Å²	87	87.1 Å²	87.1	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-37.2	-179.9	-70	173.9	0	0	0	111.6	A77 I83 L84 Y85	A77-L81 WeakPolarHBondContact O-CB 3.43Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.31Å; A77-L81 PolarHBondContact O-N 3.23Å; L81-I83 VanDerWaalsContact C-N 3.35Å; L81-I83 PolarHBondContact O-N 3.28Å; L81-L84 HydrophobicContact CD2-CD2 4.19Å; L81-L84 WeakPolarHBondContact O-CB 3.49Å; L81-L84 PolarHBondContact O-N 2.81Å; L81-Y85 WeakPolarHBondContact O-CD2 3.27Å; L81-Y85 PolarHBondContact O-N 3.3Å; L81-Y85 VanDerWaalsContact O-N 3.07Å
82	R	97.4	Very high	93	Very high	156 Å²	156	90.7 Å²	90.7	59%	0.589	46%	0.46	S	S	*	.	H	α-helix	trans	-57.1	-48.6	174.5	176	-177.7	164.5	-168.2	-8.6	111.4	L78 P79 S80 L84 Y85 M86	L78-R82 PolarHBondContact O-N 3.05Å; P79-R82 PolarHBondContact O-N 3.15Å; S80-R82 VanDerWaalsContact C-N 3.33Å; S80-R82 PolarHBondContact O-N 3.17Å; R82-L84 VanDerWaalsContact C-N 3.35Å; R82-Y85 PolarHBondContact O-N 3.46Å; R82-M86 HydrophobicContact CG-SD 4.1Å; R82-M86 WeakPolarHBondContact O-CG 3.22Å; R82-M86 PolarHBondContact O-N 2.89Å
83	I	97.1	Very high	92.7	Very high	10 Å²	10	90.3 Å²	90.3	5%	0.051	46%	0.46	C	S	.	.	H	α-helix	trans	-64.9	-41.9	179.5	-64.9	168.9	0	0	0	110.5	E19 L20 F23 P79 S80 L81 Y85 M86 M87	E19-I83 HydrophobicContact CB-CD1 4.14Å; E19-I83 HydrophobicContact CB-CG1 4.19Å; E19-I83 WeakPolarHBondContact O-CD1 3.28Å; L20-I83 HydrophobicContact CD2-CG2 3.9Å; L20-I83 HydrophobicContact CG-CG2 4.39Å; F23-I83 HydrophobicContact CB-CD1 3.42Å; F23-I83 VanDerWaalsContact CB-CD1 3.42Å; F23-I83 HydrophobicContact CD1-CD1 4.48Å; F23-I83 HydrophobicContact CG-CD1 3.93Å; P79-I83 WeakPolarHBondContact O-CG1 3.41Å; P79-I83 PolarHBondContact O-N 3.46Å; P79-I83 VanDerWaalsContact O-N 3.12Å; S80-I83 PolarHBondContact O-N 3.37Å; L81-I83 VanDerWaalsContact C-N 3.35Å; L81-I83 PolarHBondContact O-N 3.28Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 3.05Å; I83-M86 WeakPolarHBondContact O-CB 3.43Å; I83-M86 PolarHBondContact O-N 3.01Å; I83-M86 VanDerWaalsContact O-N 3.12Å; I83-M87 HydrophobicContact CG2-CG 4.23Å; I83-M87 HydrophobicContact CG2-SD 3.99Å; I83-M87 WeakPolarHBondContact O-CG 3.22Å; I83-M87 PolarHBondContact O-N 3.31Å
84	L	97.2	Very high	92.5	Very high	102 Å²	102	88.5 Å²	88.5	53%	0.534	45%	0.453	S	S	.	.	H	α-helix	trans	-53.6	-48.4	176.9	179.3	67.3	0	0	0	111.9	S80 L81 R82 M87 D88	S80-L84 PolarHBondContact O-N 3.38Å; L81-L84 HydrophobicContact CD2-CD2 4.19Å; L81-L84 WeakPolarHBondContact O-CB 3.49Å; L81-L84 PolarHBondContact O-N 2.81Å; R82-L84 VanDerWaalsContact C-N 3.35Å; L84-M87 PolarHBondContact O-N 3.15Å; L84-D88 PolarHBondContact O-N 2.84Å
85	Y	95.2	Very high	92.4	Very high	162 Å²	162	84.3 Å²	84.3	64%	0.635	43%	0.432	S	S	*	.	H	α-helix	trans	-70.5	-33.9	178.4	-75	-69.4	0	0	0	113	L81 R82 I83 M87 D88 E89	L81-Y85 WeakPolarHBondContact O-CD2 3.27Å; L81-Y85 PolarHBondContact O-N 3.3Å; L81-Y85 VanDerWaalsContact O-N 3.07Å; R82-Y85 PolarHBondContact O-N 3.46Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 3.05Å; Y85-M87 VanDerWaalsContact C-N 3.29Å; Y85-M87 PolarHBondContact O-N 3.12Å; Y85-D88 PolarHBondContact O-N 3.12Å; Y85-E89 PolarHBondContact O-N 3.3Å
86	M	93.1	Very high	92.3	Very high	68 Å²	68	80.4 Å²	80.4	34%	0.335	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-33.5	173.6	-73.9	176.6	57.2	0	0	112.6	I16 E19 R82 I83	I16-M86 HydrophobicContact CD1-CB 4.41Å; E19-M86 HydrophobicContact CG-CE 4.32Å; R82-M86 HydrophobicContact CG-SD 4.1Å; R82-M86 WeakPolarHBondContact O-CG 3.22Å; R82-M86 PolarHBondContact O-N 2.89Å; I83-M86 WeakPolarHBondContact O-CB 3.43Å; I83-M86 PolarHBondContact O-N 3.01Å; I83-M86 VanDerWaalsContact O-N 3.12Å
87	M	92.1	Very high	92.3	Very high	82 Å²	82	78.6 Å²	78.6	40%	0.404	41%	0.405	S	S	.	.	H	α-helix	trans	-72.7	-34.1	177.7	-70.3	178.7	71.6	0	0	112.8	I16 I83 L84 Y85 E89	I16-M87 HydrophobicContact CD1-CG 3.93Å; I16-M87 HydrophobicContact CG1-CG 4.29Å; I16-M87 HydrophobicContact CG2-CE 3.88Å; I16-M87 HydrophobicContact CG2-CG 3.54Å; I16-M87 HydrophobicContact CG2-SD 3.78Å; I83-M87 HydrophobicContact CG2-CG 4.23Å; I83-M87 HydrophobicContact CG2-SD 3.99Å; I83-M87 WeakPolarHBondContact O-CG 3.22Å; I83-M87 PolarHBondContact O-N 3.31Å; L84-M87 PolarHBondContact O-N 3.15Å; Y85-M87 VanDerWaalsContact C-N 3.29Å; Y85-M87 PolarHBondContact O-N 3.12Å; M87-E89 VanDerWaalsContact C-N 3.34Å
88	D	87.4	Confident	92.3	Very high	125 Å²	125	79.3 Å²	79.3	67%	0.668	40%	0.4	S	S	*	.	H	α-helix	trans	-81.6	-15	-178.3	-161.7	50	0	0	0	112.8	L84 Y85 I90	L84-D88 PolarHBondContact O-N 2.84Å; Y85-D88 PolarHBondContact O-N 3.12Å; D88-I90 PolarHBondContact O-N 3.48Å
89	E	83.3	Confident	92.4	Very high	131 Å²	131	73.9 Å²	73.9	61%	0.612	37%	0.372	S	S	*	.			trans	-65.2	107.9	178.2	-160.7	167.8	-165.7	0	0	110.5	Y85 M87 N91	Y85-E89 PolarHBondContact O-N 3.3Å; M87-E89 VanDerWaalsContact C-N 3.34Å; E89-N91 PolarHBondContact O-N 2.93Å
90	I	67.1	Low	92.4	Very high	99 Å²	99	72.8 Å²	72.8	51%	0.508	36%	0.363	S	S	.	.			trans	-75.5	98.7	-179	-57.3	174.4	0	0	0	108.9	D88	D88-I90 PolarHBondContact O-N 3.48Å
91	N	72.9	Confident	92.4	Very high	86 Å²	86	70.6 Å²	70.6	46%	0.46	35%	0.347	S	S	.	.			trans	-69.1	128.2	167.9	-63.5	-32.7	0	0	0	109	E89 P93 P149	E89-N91 PolarHBondContact O-N 2.93Å; N91-P93 WeakPolarHBondContact O-CD 3.35Å; N91-P149 HydrophobicContact CB-CB 4.32Å
92	N	88.1	Confident	92.4	Very high	153 Å²	153	67.2 Å²	67.2	82%	0.818	33%	0.329	S	S	*	.			trans	-45.1	99.3	176	-70.3	-43.1	0	0	0	110.9
93	P	92.3	Very high	92.5	Very high	31 Å²	31	63.9 Å²	63.9	20%	0.201	32%	0.32	C	S	.	.			trans	-79.5	144.9	-169.2	29.9	-29	0	0	0	110.1	N91 P149 R151	N91-P93 WeakPolarHBondContact O-CD 3.35Å; P93-P149 CarbonylContact C-O 3.56Å; P93-P149 WeakPolarHBondContact CA-O 3.21Å; P93-R151 HydrophobicContact CB-CB 3.79Å; P93-R151 HydrophobicContact CG-CB 3.79Å; P93-R151 VanDerWaalsContact CG-CZ 3.44Å; P93-R151 VanDerWaalsContact CG-NH2 3.35Å
94	V	93.7	Very high	92.5	Very high	80 Å²	80	67 Å²	67	49%	0.485	33%	0.332	S	S	.	.	S	Bend	trans	-88.7	-22.1	-177.4	-177	0	0	0	0	111.9	L148 P149	V94-L148 HydrophobicContact CG1-CD1 4.36Å; V94-P149 HydrophobicContact CG2-CG 4.28Å; V94-P149 PolarHBondContact N-O 3.27Å
95	L	95.6	Very high	92.6	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.9	-179.6	177.6	68.8	0	0	0	109.3	V97 Y110 D112 L144 P145 I150 R151 F219	L95-V97 HydrophobicContact CD2-CG2 3.79Å; L95-V97 HydrophobicContact CG-CG2 3.89Å; L95-Y110 HydrophobicContact CD2-CD1 4.38Å; L95-Y110 HydrophobicContact CD2-CE1 4.33Å; L95-D112 WeakPolarHBondContact CA-OD2 3.32Å; L95-L144 HydrophobicContact CD2-CD2 4.27Å; L95-P145 HydrophobicContact CD2-CG 4.28Å; L95-I150 HydrophobicContact CB-CG1 4.39Å; L95-I150 HydrophobicContact CB-CG2 4.41Å; L95-I150 HydrophobicContact CD2-CG1 4.49Å; L95-I150 HydrophobicContact CD2-CG2 4.35Å; L95-I150 HydrophobicContact CG-CG2 4.43Å; L95-I150 CarbonylContact O-C 3.59Å; L95-I150 WeakPolarHBondContact O-CA 3.45Å; L95-R151 PolarHBondContact O-N 3.42Å; L95-F219 HydrophobicContact CD1-CZ 4.21Å; L95-F219 HydrophobicContact CD2-CE1 4.19Å; L95-F219 HydrophobicContact CD2-CE2 4.08Å; L95-F219 HydrophobicContact CD2-CZ 3.56Å
96	T	97.3	Very high	92.8	Very high	23 Å²	23	56.5 Å²	56.5	14%	0.141	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	168.6	-53.7	0	0	0	0	109.6	D112 R151 L153	T96-D112 PolarHBondContact N-OD2 3.23Å; T96-R151 CarbonylContact C-O 3.53Å; T96-R151 WeakPolarHBondContact CA-O 3.45Å; T96-R151 HydrophobicContact CG2-CB 4.35Å; T96-R151 HydrophobicContact CG2-CG 4.36Å; T96-L153 HydrophobicContact CG2-CD1 3.53Å; T96-L153 HydrophobicContact CG2-CG 3.92Å
97	V	98.1	Very high	93	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.8	174.6	-178.9	0	0	0	0	108.1	L95 Y108 E109 Y110 L144 I150 R151 M152 L153	L95-V97 HydrophobicContact CD2-CG2 3.79Å; L95-V97 HydrophobicContact CG-CG2 3.89Å; V97-Y108 HydrophobicContact CG1-CD1 4.45Å; V97-E109 WeakPolarHBondContact CA-O 3.12Å; V97-Y110 HydrophobicContact CB-CE1 4.42Å; V97-Y110 HydrophobicContact CG1-CD1 4.38Å; V97-Y110 HydrophobicContact CG1-CD2 4.17Å; V97-Y110 HydrophobicContact CG1-CE1 4.1Å; V97-Y110 HydrophobicContact CG1-CE2 3.84Å; V97-Y110 HydrophobicContact CG1-CG 4.41Å; V97-Y110 HydrophobicContact CG2-CD1 3.55Å; V97-Y110 HydrophobicContact CG2-CE1 3.41Å; V97-Y110 VanDerWaalsContact CG2-CE1 3.41Å; V97-Y110 HydrophobicContact CG2-CG 4.25Å; V97-L144 HydrophobicContact CG2-CD2 3.84Å; V97-I150 HydrophobicContact CG2-CG2 4.2Å; V97-R151 PolarHBondContact N-O 3.44Å; V97-M152 HydrophobicContact CB-CE 4.31Å; V97-M152 HydrophobicContact CB-SD 3.67Å; V97-M152 HydrophobicContact CG1-CE 4.1Å; V97-M152 HydrophobicContact CG1-SD 4.04Å; V97-M152 CarbonylContact O-C 3.58Å; V97-M152 WeakPolarHBondContact O-CA 3.42Å; V97-L153 PolarHBondContact O-N 3.48Å
98	K	98.6	Very high	93.3	Very high	58 Å²	58	49.9 Å²	49.9	25%	0.252	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.8	173.1	-161.9	-169.1	-59.5	154.2	0	109.3	M100 Y108 E109 L153 L179	K98-M100 HydrophobicContact CD-CG 4.29Å; K98-M100 HydrophobicContact CD-SD 3.81Å; K98-M100 HydrophobicContact CG-SD 4.2Å; K98-Y108 CarbonylContact O-C 3.59Å; K98-Y108 VanDerWaalsContact O-CA 3.32Å; K98-Y108 WeakPolarHBondContact O-CA 3.43Å; K98-E109 HydrophobicContact CB-CB 4.16Å; K98-E109 WeakPolarHBondContact CE-OE2 3.37Å; K98-E109 PolarHBondContact N-O 3.22Å; K98-E109 IonicContact NZ-OE2 2.76Å; K98-E109 PolarHBondContact NZ-OE2 3.19Å; K98-E109 PolarHBondContact O-N 2.99Å; K98-L153 CarbonylContact C-O 3.55Å; K98-L153 VanDerWaalsContact CA-O 3.3Å; K98-L153 WeakPolarHBondContact CA-O 3.49Å; K98-L153 HydrophobicContact CB-CB 4.4Å; K98-L153 HydrophobicContact CG-CB 4.1Å; K98-L179 HydrophobicContact CD-CD1 4.47Å; K98-L179 HydrophobicContact CG-CD1 4.35Å
99	T	98.7	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.8	168	-175.6	0	0	0	0	109.9	S107 Y108 M152 L153 I154 S155 W163	T99-S107 VanDerWaalsContact CA-O 3.27Å; T99-S107 WeakPolarHBondContact CA-O 3.33Å; T99-S107 PolarHBondContact OG1-O 2.73Å; T99-Y108 VanDerWaalsContact CB-CE1 3.5Å; T99-Y108 HydrophobicContact CG2-CE1 4.46Å; T99-Y108 WeakPolarHBondContact OG1-CE1 3.41Å; T99-M152 HydrophobicContact CG2-CE 3.89Å; T99-L153 PolarHBondContact N-O 3.22Å; T99-I154 HydrophobicContact CG2-CB 4.08Å; T99-I154 HydrophobicContact CG2-CG1 3.59Å; T99-I154 HydrophobicContact CG2-CG2 4.1Å; T99-S155 PolarHBondContact O-N 3.44Å; T99-S155 VanDerWaalsContact O-N 3.1Å; T99-W163 HydrophobicContact CG2-CD2 4.42Å; T99-W163 HydrophobicContact CG2-CG 4.01Å
100	M	98.8	Very high	94.5	Very high	19 Å²	19	40.2 Å²	40.2	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.4	176.7	-55.1	-64.8	-68.8	0	0	109.2	K98 H102 S107 S155 E157	K98-M100 HydrophobicContact CD-CG 4.29Å; K98-M100 HydrophobicContact CD-SD 3.81Å; K98-M100 HydrophobicContact CG-SD 4.2Å; M100-H102 PolarHBondContact O-CD2 3.18Å; M100-H102 VanDerWaalsContact O-CD2 3.22Å; M100-S107 WeakPolarHBondContact CB-OG 3.23Å; M100-S107 PolarHBondContact N-O 3.3Å; M100-S107 PolarHBondContact O-N 3.35Å; M100-S107 PolarHBondContact O-OG 3.04Å; M100-S155 WeakPolarHBondContact CA-O 3.45Å; M100-E157 HydrophobicContact CB-CG 4.37Å; M100-E157 HydrophobicContact CE-CG 3.44Å; M100-E157 VanDerWaalsContact CE-CG 3.44Å
101	G	98.7	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.7	173.5	0	0	0	0	0	112	W106 S155 S156 E157	G101-W106 VanDerWaalsContact CA-CE3 3.49Å; G101-S155 PolarHBondContact N-O 3.4Å; G101-S156 WeakPolarHBondContact O-CA 3.33Å; G101-S156 WeakPolarHBondContact O-CB 3.26Å; G101-S156 PolarHBondContact O-OG 3.01Å; G101-E157 PolarHBondContact O-N 3.42Å
102	H	98.7	Very high	96.7	Very high	17 Å²	17	38 Å²	38	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.2	178.8	-61.1	-96.8	0	0	0	110.5	M100 W104 Y105 S107 E157 D158 H161 M207	M100-H102 PolarHBondContact O-CD2 3.18Å; M100-H102 VanDerWaalsContact O-CD2 3.22Å; H102-W104 CarbonylContact O-C 3.51Å; H102-W104 WeakPolarHBondContact O-CA 3.4Å; H102-W104 PolarHBondContact O-N 2.71Å; H102-Y105 HydrophobicContact CB-CD1 3.76Å; H102-Y105 HydrophobicContact CB-CD2 4.34Å; H102-Y105 HydrophobicContact CB-CE1 3.47Å; H102-Y105 VanDerWaalsContact CB-CE1 3.47Å; H102-Y105 HydrophobicContact CB-CE2 4.09Å; H102-Y105 HydrophobicContact CB-CG 4.2Å; H102-Y105 AromaticContact CD2-CE2 3.67Å; H102-Y105 AromaticContact CD2-CZ 3.87Å; H102-Y105 AromaticContact CG-CE1 4Å; H102-Y105 AromaticContact CG-CE2 3.92Å; H102-Y105 AromaticContact CG-CZ 3.64Å; H102-Y105 PolarHBondContact N-O 3.46Å; H102-Y105 PolarHBondContact O-N 3.12Å; H102-Y105 VanDerWaalsContact O-O 3.06Å; H102-S107 PolarHBondContact CD2-OG 3.22Å; H102-S107 PolarHBondContact NE2-OG 3.11Å; H102-E157 IonicContact CE1-OE1 3.85Å; H102-E157 IonicContact CE1-OE2 3.21Å; H102-E157 PolarHBondContact CE1-OE2 3.37Å; H102-E157 IonicContact ND1-OE2 3.84Å; H102-D158 WeakPolarHBondContact CA-OD2 3.14Å; H102-H161 VanDerWaalsContact C-CE1 3.47Å; H102-H161 PolarHBondContact O-CE1 3.14Å; H102-M207 WeakPolarHBondContact O-CE 3.33Å
103	Q	98.4	Very high	96.4	Very high	85 Å²	85	39.6 Å²	39.6	40%	0.397	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	102.5	168.1	-70.9	-174.3	-47.1	0	0	109.8	D158 V159 C200	Q103-D158 WeakPolarHBondContact CB-OD2 3.4Å; Q103-D158 WeakPolarHBondContact CG-OD2 3.47Å; Q103-D158 PolarHBondContact N-OD2 3.12Å; Q103-V159 HydrophobicContact CG-CG2 3.9Å; Q103-C200 PolarHBondContact NE2-O 3.24Å
104	W	97.4	Very high	96.3	Very high	77 Å²	77	43.6 Å²	43.6	29%	0.292	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	cis	-133.5	76.7	-1.4	-63.6	-84.6	0	0	0	109.7	H102 C200 N203 M207	H102-W104 CarbonylContact O-C 3.51Å; H102-W104 WeakPolarHBondContact O-CA 3.4Å; H102-W104 PolarHBondContact O-N 2.71Å; W104-C200 PolarHBondContact NE1-O 2.97Å; W104-N203 HydrophobicContact CB-CB 3.69Å; W104-N203 HydrophobicContact CD2-CB 3.52Å; W104-N203 HydrophobicContact CE3-CB 3.9Å; W104-N203 HydrophobicContact CG-CB 3.44Å; W104-N203 VanDerWaalsContact CG-CB 3.44Å; W104-M207 HydrophobicContact CB-CB 4.47Å; W104-M207 HydrophobicContact CB-SD 4.25Å
105	Y	98.8	Very high	96.2	Very high	42 Å²	42	46.7 Å²	46.7	17%	0.165	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	172.3	179.6	67.6	-82.9	0	0	0	110	H102 D119 Y121	H102-Y105 HydrophobicContact CB-CD1 3.76Å; H102-Y105 HydrophobicContact CB-CD2 4.34Å; H102-Y105 HydrophobicContact CB-CE1 3.47Å; H102-Y105 VanDerWaalsContact CB-CE1 3.47Å; H102-Y105 HydrophobicContact CB-CE2 4.09Å; H102-Y105 HydrophobicContact CB-CG 4.2Å; H102-Y105 AromaticContact CD2-CE2 3.67Å; H102-Y105 AromaticContact CD2-CZ 3.87Å; H102-Y105 AromaticContact CG-CE1 4Å; H102-Y105 AromaticContact CG-CE2 3.92Å; H102-Y105 AromaticContact CG-CZ 3.64Å; H102-Y105 PolarHBondContact N-O 3.46Å; H102-Y105 PolarHBondContact O-N 3.12Å; H102-Y105 VanDerWaalsContact O-O 3.06Å; Y105-D119 HydrophobicContact CD2-CB 3.95Å; Y105-D119 HydrophobicContact CE2-CB 3.99Å; Y105-D119 VanDerWaalsContact CE2-CG 3.42Å; Y105-D119 WeakPolarHBondContact CE2-OD1 3.28Å; Y105-Y121 HydrophobicContact CD1-CD1 4.43Å; Y105-Y121 AromaticContact CD1-CE1 3.48Å; Y105-Y121 HydrophobicContact CD1-CE1 3.48Å; Y105-Y121 VanDerWaalsContact CD1-CE1 3.48Å; Y105-Y121 HydrophobicContact CD1-CE2 4.41Å; Y105-Y121 AromaticContact CD1-CZ 3.46Å; Y105-Y121 VanDerWaalsContact CD1-CZ 3.46Å; Y105-Y121 VanDerWaalsContact CD1-OH 3.23Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.28Å; Y105-Y121 HydrophobicContact CD2-CE1 4.37Å; Y105-Y121 AromaticContact CD2-CE2 3.96Å; Y105-Y121 HydrophobicContact CD2-CE2 3.96Å; Y105-Y121 AromaticContact CD2-CZ 3.81Å; Y105-Y121 HydrophobicContact CE1-CE1 4.26Å; Y105-Y121 AromaticContact CE1-CZ 3.88Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.5Å; Y105-Y121 HydrophobicContact CE2-CE2 4.42Å; Y105-Y121 HydrophobicContact CG-CD1 4.15Å; Y105-Y121 AromaticContact CG-CE1 3.54Å; Y105-Y121 HydrophobicContact CG-CE1 3.54Å; Y105-Y121 AromaticContact CG-CE2 3.95Å; Y105-Y121 HydrophobicContact CG-CE2 3.95Å; Y105-Y121 AromaticContact CG-CZ 3.42Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.42Å
106	W	98.9	Very high	96.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141	172.8	-66.2	94.5	0	0	0	109.3	G101 Y108 S120 H161 W163 A174 C196 M207 I209	G101-W106 VanDerWaalsContact CA-CE3 3.49Å; W106-Y108 HydrophobicContact CB-CD2 4.48Å; W106-Y108 HydrophobicContact CB-CE2 3.59Å; W106-S120 PolarHBondContact N-O 3.1Å; W106-S120 WeakPolarHBondContact O-CB 3.38Å; W106-S120 PolarHBondContact O-N 3.39Å; W106-H161 HydrophobicContact CH2-CB 3.73Å; W106-H161 HydrophobicContact CZ2-CB 4.13Å; W106-W163 AromaticContact CD2-CD1 3.96Å; W106-W163 AromaticContact CE3-CD1 3.75Å; W106-W163 HydrophobicContact CH2-CB 3.68Å; W106-W163 HydrophobicContact CH2-CG 4.29Å; W106-W163 HydrophobicContact CZ2-CB 4.28Å; W106-W163 HydrophobicContact CZ3-CB 3.95Å; W106-W163 AromaticContact CZ3-CD1 3.78Å; W106-W163 HydrophobicContact CZ3-CG 4.28Å; W106-A174 HydrophobicContact CH2-CB 4.11Å; W106-A174 HydrophobicContact CZ3-CB 4.07Å; W106-C196 HydrophobicContact CZ2-CB 4.27Å; W106-M207 HydrophobicContact CD2-CE 4.17Å; W106-M207 HydrophobicContact CG-CE 4.42Å; W106-M207 HydrophobicContact CZ2-CE 3.89Å; W106-M207 PolarHBondContact NE1-O 2.94Å; W106-I209 HydrophobicContact CG-CG1 4.37Å; W106-I209 HydrophobicContact CZ2-CD1 4.22Å
107	S	98.8	Very high	96.2	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.1	166.3	56.6	0	0	0	0	109.5	T99 M100 H102 F118 D119	T99-S107 VanDerWaalsContact CA-O 3.27Å; T99-S107 WeakPolarHBondContact CA-O 3.33Å; T99-S107 PolarHBondContact OG1-O 2.73Å; M100-S107 WeakPolarHBondContact CB-OG 3.23Å; M100-S107 PolarHBondContact N-O 3.3Å; M100-S107 PolarHBondContact O-N 3.35Å; M100-S107 PolarHBondContact O-OG 3.04Å; H102-S107 PolarHBondContact CD2-OG 3.22Å; H102-S107 PolarHBondContact NE2-OG 3.11Å; S107-F118 WeakPolarHBondContact CA-O 3.45Å; S107-D119 WeakPolarHBondContact CB-OD1 3.38Å
108	Y	98.6	Very high	96.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.2	-177.9	-63.8	-88.4	0	0	0	110.3	V97 K98 T99 W106 C117 F118 V142 M152 W163	V97-Y108 HydrophobicContact CG1-CD1 4.45Å; K98-Y108 CarbonylContact O-C 3.59Å; K98-Y108 VanDerWaalsContact O-CA 3.32Å; K98-Y108 WeakPolarHBondContact O-CA 3.43Å; T99-Y108 VanDerWaalsContact CB-CE1 3.5Å; T99-Y108 HydrophobicContact CG2-CE1 4.46Å; T99-Y108 WeakPolarHBondContact OG1-CE1 3.41Å; W106-Y108 HydrophobicContact CB-CD2 4.48Å; W106-Y108 HydrophobicContact CB-CE2 3.59Å; Y108-C117 VanDerWaalsContact O-CA 3.28Å; Y108-C117 WeakPolarHBondContact O-CA 3.04Å; Y108-F118 AromaticContact CD2-CE2 4Å; Y108-F118 HydrophobicContact CD2-CE2 4Å; Y108-F118 HydrophobicContact CD2-CZ 4.47Å; Y108-F118 HydrophobicContact CG-CE2 4.41Å; Y108-F118 HydrophobicContact CG-CZ 4.45Å; Y108-F118 PolarHBondContact N-O 3.24Å; Y108-F118 PolarHBondContact O-N 3.31Å; Y108-F118 VanDerWaalsContact O-N 3.12Å; Y108-V142 HydrophobicContact CD1-CG1 3.96Å; Y108-V142 HydrophobicContact CD1-CG2 3.72Å; Y108-V142 HydrophobicContact CD2-CG2 3.66Å; Y108-V142 HydrophobicContact CE1-CB 4.4Å; Y108-V142 HydrophobicContact CE1-CG1 4.1Å; Y108-V142 HydrophobicContact CE1-CG2 3.38Å; Y108-V142 HydrophobicContact CE2-CG2 3.32Å; Y108-V142 HydrophobicContact CG-CG1 4.44Å; Y108-V142 HydrophobicContact CG-CG2 3.85Å; Y108-M152 HydrophobicContact CD1-CE 4.46Å; Y108-M152 HydrophobicContact CE1-CE 4.34Å; Y108-W163 AromaticContact CE1-NE1 3.66Å; Y108-W163 AromaticContact CZ-NE1 3.75Å; Y108-W163 PolarHBondContact OH-NE1 3.48Å
109	E	98.4	Very high	96.2	Very high	43 Å²	43	51 Å²	51	20%	0.201	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.5	-179.8	-55.6	170.1	-165.1	0	0	110.4	V97 K98 T111 L116 C117	V97-E109 WeakPolarHBondContact CA-O 3.12Å; K98-E109 HydrophobicContact CB-CB 4.16Å; K98-E109 WeakPolarHBondContact CE-OE2 3.37Å; K98-E109 PolarHBondContact N-O 3.22Å; K98-E109 IonicContact NZ-OE2 2.76Å; K98-E109 PolarHBondContact NZ-OE2 3.19Å; K98-E109 PolarHBondContact O-N 2.99Å; E109-T111 HydrophobicContact CB-CG2 4.25Å; E109-L116 WeakPolarHBondContact CA-O 3.44Å; E109-C117 HydrophobicContact CG-CB 4.25Å
110	Y	97.7	Very high	96.2	Very high	9 Å²	9	51 Å²	51	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	76.7	180	-69	-109.1	0	0	0	109.2	L95 V97 L116 F118 V142 V143 L144 F219 W222	L95-Y110 HydrophobicContact CD2-CD1 4.38Å; L95-Y110 HydrophobicContact CD2-CE1 4.33Å; V97-Y110 HydrophobicContact CB-CE1 4.42Å; V97-Y110 HydrophobicContact CG1-CD1 4.38Å; V97-Y110 HydrophobicContact CG1-CD2 4.17Å; V97-Y110 HydrophobicContact CG1-CE1 4.1Å; V97-Y110 HydrophobicContact CG1-CE2 3.84Å; V97-Y110 HydrophobicContact CG1-CG 4.41Å; V97-Y110 HydrophobicContact CG2-CD1 3.55Å; V97-Y110 HydrophobicContact CG2-CE1 3.41Å; V97-Y110 VanDerWaalsContact CG2-CE1 3.41Å; V97-Y110 HydrophobicContact CG2-CG 4.25Å; Y110-L116 HydrophobicContact CD2-CD2 4.27Å; Y110-L116 HydrophobicContact CD2-CG 4.39Å; Y110-L116 HydrophobicContact CG-CD2 4.23Å; Y110-L116 PolarHBondContact N-O 3.43Å; Y110-F118 HydrophobicContact CD2-CE1 4.1Å; Y110-F118 AromaticContact CE2-CE1 3.63Å; Y110-F118 HydrophobicContact CE2-CE1 3.63Å; Y110-F118 AromaticContact CE2-CZ 3.93Å; Y110-F118 HydrophobicContact CE2-CZ 3.93Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.33Å; Y110-V143 PolarHBondContact OH-O 3.08Å; Y110-L144 HydrophobicContact CE1-CD2 3.87Å; Y110-F219 HydrophobicContact CD1-CE2 4.18Å; Y110-F219 HydrophobicContact CD1-CZ 4.19Å; Y110-F219 AromaticContact CE1-CE2 3.8Å; Y110-F219 HydrophobicContact CE1-CE2 3.8Å; Y110-F219 HydrophobicContact CE1-CZ 4.23Å; Y110-W222 HydrophobicContact CE1-CH2 4.27Å; Y110-W222 HydrophobicContact CE1-CZ3 4.11Å; Y110-W222 AromaticContact CE2-CH2 3.95Å; Y110-W222 HydrophobicContact CE2-CH2 3.95Å; Y110-W222 AromaticContact CZ-CH2 3.79Å
111	T	94.1	Very high	96.2	Very high	67 Å²	67	54.6 Å²	54.6	41%	0.411	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.1	-165.5	45.8	0	0	0	0	114.9	E109 Y113 E114	E109-T111 HydrophobicContact CB-CG2 4.25Å; T111-Y113 VanDerWaalsContact C-N 3.28Å; T111-Y113 PolarHBondContact O-N 3.45Å; T111-E114 WeakPolarHBondContact CA-O 3.46Å
112	D	90.7	Very high	96.3	Very high	73 Å²	73	56.4 Å²	56.4	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-28.7	179.7	-79.2	-14	0	0	0	113	L95 T96	L95-D112 WeakPolarHBondContact CA-OD2 3.32Å; T96-D112 PolarHBondContact N-OD2 3.23Å
113	Y	83.3	Confident	96.2	Very high	185 Å²	185	57.1 Å²	57.1	73%	0.725	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-47.4	-177.1	-58.1	-73	0	0	0	113.1	T111	T111-Y113 VanDerWaalsContact C-N 3.28Å; T111-Y113 PolarHBondContact O-N 3.45Å
114	E	88.8	Confident	96.2	Very high	116 Å²	116	56.2 Å²	56.2	54%	0.542	28%	0.279	S	S	.	.	S	Bend	trans	-141	160.7	-176	-69.6	-71.1	176.8	0	0	109	T111 L116 I227	T111-E114 WeakPolarHBondContact CA-O 3.46Å; E114-L116 PolarHBondContact O-N 2.85Å; E114-I227 HydrophobicContact CB-CD1 3.59Å; E114-I227 HydrophobicContact CB-CG1 4.33Å; E114-I227 HydrophobicContact CG-CD1 3.81Å
115	D	92.1	Very high	96.3	Very high	144 Å²	144	55.8 Å²	55.8	77%	0.77	29%	0.285	S	S	*	.			trans	-80.7	65.9	-179.5	-70.9	-34.7	0	0	0	111.8
116	L	96.3	Very high	96.2	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.2	174.5	170.1	60.8	0	0	0	110.5	E109 Y110 E114 F118 W222 M226 I227	E109-L116 WeakPolarHBondContact CA-O 3.44Å; Y110-L116 HydrophobicContact CD2-CD2 4.27Å; Y110-L116 HydrophobicContact CD2-CG 4.39Å; Y110-L116 HydrophobicContact CG-CD2 4.23Å; Y110-L116 PolarHBondContact N-O 3.43Å; E114-L116 PolarHBondContact O-N 2.85Å; L116-F118 HydrophobicContact CD1-CD1 4.38Å; L116-W222 HydrophobicContact CD2-CH2 4.12Å; L116-W222 HydrophobicContact CD2-CZ3 4.14Å; L116-M226 HydrophobicContact CD1-CB 3.4Å; L116-M226 HydrophobicContact CD1-CG 4.48Å; L116-M226 HydrophobicContact CD2-CB 4.2Å; L116-M226 HydrophobicContact CG-CB 4.47Å; L116-I227 HydrophobicContact CB-CG1 4.35Å
117	C	97.1	Very high	96.2	Very high	92 Å²	92	66.3 Å²	66.3	62%	0.622	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.3	174.7	63.6	0	0	0	0	112.4	Y108 E109	Y108-C117 VanDerWaalsContact O-CA 3.28Å; Y108-C117 WeakPolarHBondContact O-CA 3.04Å; E109-C117 HydrophobicContact CG-CB 4.25Å
118	F	98.3	Very high	96.2	Very high	19 Å²	19	67.6 Å²	67.6	8%	0.083	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.6	174.2	59.3	-89.6	0	0	0	112.2	S107 Y108 Y110 L116 N140 W222 M226	S107-F118 WeakPolarHBondContact CA-O 3.45Å; Y108-F118 AromaticContact CD2-CE2 4Å; Y108-F118 HydrophobicContact CD2-CE2 4Å; Y108-F118 HydrophobicContact CD2-CZ 4.47Å; Y108-F118 HydrophobicContact CG-CE2 4.41Å; Y108-F118 HydrophobicContact CG-CZ 4.45Å; Y108-F118 PolarHBondContact N-O 3.24Å; Y108-F118 PolarHBondContact O-N 3.31Å; Y108-F118 VanDerWaalsContact O-N 3.12Å; Y110-F118 HydrophobicContact CD2-CE1 4.1Å; Y110-F118 AromaticContact CE2-CE1 3.63Å; Y110-F118 HydrophobicContact CE2-CE1 3.63Å; Y110-F118 AromaticContact CE2-CZ 3.93Å; Y110-F118 HydrophobicContact CE2-CZ 3.93Å; L116-F118 HydrophobicContact CD1-CD1 4.38Å; F118-N140 HydrophobicContact CD2-CB 3.63Å; F118-N140 HydrophobicContact CE2-CB 3.99Å; F118-W222 AromaticContact CE1-CH2 3.8Å; F118-W222 HydrophobicContact CE1-CH2 3.8Å; F118-W222 AromaticContact CE1-CZ2 3.84Å; F118-W222 HydrophobicContact CE1-CZ2 3.84Å; F118-W222 HydrophobicContact CZ-CH2 4.18Å; F118-W222 HydrophobicContact CZ-CZ2 4.07Å; F118-M226 HydrophobicContact CB-CE 4.25Å; F118-M226 HydrophobicContact CD1-CE 4.06Å; F118-M226 HydrophobicContact CG-CE 4.22Å
119	D	98.7	Very high	96.2	Very high	65 Å²	65	74.5 Å²	74.5	35%	0.348	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.3	172.9	-64	-18.6	0	0	0	110.9	Y105 S107 Y121 N140	Y105-D119 HydrophobicContact CD2-CB 3.95Å; Y105-D119 HydrophobicContact CE2-CB 3.99Å; Y105-D119 VanDerWaalsContact CE2-CG 3.42Å; Y105-D119 WeakPolarHBondContact CE2-OD1 3.28Å; S107-D119 WeakPolarHBondContact CB-OD1 3.38Å; D119-Y121 HydrophobicContact CB-CD2 3.99Å; D119-Y121 HydrophobicContact CB-CE2 3.53Å; D119-N140 WeakPolarHBondContact O-CB 3.44Å; D119-N140 PolarHBondContact O-ND2 3.47Å
120	S	98.8	Very high	96.2	Very high	1 Å²	1	79.1 Å²	79.1	1%	0.007	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	103.4	179.2	165.4	0	0	0	0	109.3	W106 V138 D139 N140	W106-S120 PolarHBondContact N-O 3.1Å; W106-S120 WeakPolarHBondContact O-CB 3.38Å; W106-S120 PolarHBondContact O-N 3.39Å; S120-V138 WeakPolarHBondContact OG-CB 3.5Å; S120-V138 WeakPolarHBondContact OG-CG1 3.48Å; S120-D139 WeakPolarHBondContact CA-OD1 3.34Å; S120-N140 VanDerWaalsContact CB-O 3.31Å; S120-N140 WeakPolarHBondContact CB-O 3.42Å; S120-N140 PolarHBondContact OG-O 3.37Å
121	Y	98.8	Very high	96.2	Very high	93 Å²	93	82.4 Å²	82.4	37%	0.365	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-103.2	149.8	177.1	-72.2	-93.9	0	0	0	111.5	Y105 D119 I123 V138 D139	Y105-Y121 HydrophobicContact CD1-CD1 4.43Å; Y105-Y121 AromaticContact CD1-CE1 3.48Å; Y105-Y121 HydrophobicContact CD1-CE1 3.48Å; Y105-Y121 VanDerWaalsContact CD1-CE1 3.48Å; Y105-Y121 HydrophobicContact CD1-CE2 4.41Å; Y105-Y121 AromaticContact CD1-CZ 3.46Å; Y105-Y121 VanDerWaalsContact CD1-CZ 3.46Å; Y105-Y121 VanDerWaalsContact CD1-OH 3.23Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.28Å; Y105-Y121 HydrophobicContact CD2-CE1 4.37Å; Y105-Y121 AromaticContact CD2-CE2 3.96Å; Y105-Y121 HydrophobicContact CD2-CE2 3.96Å; Y105-Y121 AromaticContact CD2-CZ 3.81Å; Y105-Y121 HydrophobicContact CE1-CE1 4.26Å; Y105-Y121 AromaticContact CE1-CZ 3.88Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.5Å; Y105-Y121 HydrophobicContact CE2-CE2 4.42Å; Y105-Y121 HydrophobicContact CG-CD1 4.15Å; Y105-Y121 AromaticContact CG-CE1 3.54Å; Y105-Y121 HydrophobicContact CG-CE1 3.54Å; Y105-Y121 AromaticContact CG-CE2 3.95Å; Y105-Y121 HydrophobicContact CG-CE2 3.95Å; Y105-Y121 AromaticContact CG-CZ 3.42Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.42Å; D119-Y121 HydrophobicContact CB-CD2 3.99Å; D119-Y121 HydrophobicContact CB-CE2 3.53Å; Y121-I123 PolarHBondContact O-N 3.29Å; Y121-V138 CarbonylContact O-C 3.51Å; Y121-V138 WeakPolarHBondContact O-CA 3.35Å; Y121-V138 WeakPolarHBondContact O-CB 3.4Å; Y121-D139 PolarHBondContact N-OD1 3.33Å; Y121-D139 PolarHBondContact O-N 3.36Å
122	M	98.8	Very high	96.4	Very high	38 Å²	38	81.7 Å²	81.7	19%	0.187	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-63.5	133	170.5	-171.2	-176.2	71.4	0	0	110.8	P124 L135 E137 F206 P208	M122-P124 WeakPolarHBondContact O-CD 3.43Å; M122-L135 HydrophobicContact CE-CD2 4.22Å; M122-L135 HydrophobicContact SD-CB 4.13Å; M122-L135 HydrophobicContact SD-CD2 3.89Å; M122-E137 WeakPolarHBondContact CA-O 3.38Å; M122-F206 WeakPolarHBondContact CB-O 3.27Å; M122-F206 HydrophobicContact CE-CB 3.68Å; M122-F206 HydrophobicContact CE-CD1 3.79Å; M122-F206 HydrophobicContact CE-CG 4Å; M122-F206 HydrophobicContact SD-CB 3.78Å; M122-F206 HydrophobicContact SD-CD1 3.88Å; M122-F206 HydrophobicContact SD-CG 4.3Å; M122-P208 HydrophobicContact CB-CG 4Å; M122-P208 HydrophobicContact CG-CG 3.91Å
123	I	98.6	Very high	96.7	Very high	32 Å²	32	80.2 Å²	80.2	16%	0.164	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-67.6	124.8	171.2	-57.7	-176.6	0	0	0	109	Y121 D127 L128 E137	Y121-I123 PolarHBondContact O-N 3.29Å; I123-D127 HydrophobicContact CG2-CB 4.03Å; I123-L128 HydrophobicContact CB-CD2 3.96Å; I123-L128 HydrophobicContact CG2-CD2 3.81Å; I123-L128 HydrophobicContact CG2-CG 4.34Å; I123-E137 HydrophobicContact CB-CB 4.36Å; I123-E137 HydrophobicContact CD1-CB 3.91Å; I123-E137 HydrophobicContact CG1-CB 4.2Å; I123-E137 PolarHBondContact N-O 2.94Å
124	P	98.4	Very high	97.5	Very high	67 Å²	67	78.9 Å²	78.9	44%	0.435	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-57.8	143.7	175.5	-24.2	34.6	0	0	0	111.4	M122 N126 D127 L128	M122-P124 WeakPolarHBondContact O-CD 3.43Å; P124-N126 PolarHBondContact O-N 3.14Å; P124-D127 WeakPolarHBondContact CB-OD2 3.14Å; P124-D127 WeakPolarHBondContact CG-OD2 3.34Å; P124-D127 PolarHBondContact O-N 2.94Å; P124-L128 PolarHBondContact O-N 3.26Å
125	T	98	Very high	97.9	Very high	67 Å²	67	74.7 Å²	74.7	41%	0.411	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-58.1	-28.4	-174.9	-60.4	0	0	0	0	113.8	D127 L128 R134	T125-D127 VanDerWaalsContact C-N 3.3Å; T125-L128 HydrophobicContact CG2-CD1 4.24Å; T125-R134 HydrophobicContact CG2-CG 3.85Å; T125-R134 WeakPolarHBondContact OG1-CG 3.49Å
126	N	98.1	Very high	98.2	Very high	156 Å²	156	69.3 Å²	69.3	83%	0.834	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-75.1	-20	178	-64.9	-19.9	0	0	0	113.4	P124	P124-N126 PolarHBondContact O-N 3.14Å
127	D	98.3	Very high	98.3	Very high	108 Å²	108	69.4 Å²	69.4	58%	0.578	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-100.3	-0.7	-176.1	-58.1	-34	0	0	0	112.3	I123 P124 T125	I123-D127 HydrophobicContact CG2-CB 4.03Å; P124-D127 WeakPolarHBondContact CB-OD2 3.14Å; P124-D127 WeakPolarHBondContact CG-OD2 3.34Å; P124-D127 PolarHBondContact O-N 2.94Å; T125-D127 VanDerWaalsContact C-N 3.3Å
128	L	98.3	Very high	98.4	Very high	38 Å²	38	65.2 Å²	65.2	20%	0.199	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-66	136.6	178.6	-67.4	170.4	0	0	0	111.6	I123 P124 T125 E132 R134 E137	I123-L128 HydrophobicContact CB-CD2 3.96Å; I123-L128 HydrophobicContact CG2-CD2 3.81Å; I123-L128 HydrophobicContact CG2-CG 4.34Å; P124-L128 PolarHBondContact O-N 3.26Å; T125-L128 HydrophobicContact CG2-CD1 4.24Å; L128-E132 WeakPolarHBondContact CA-OE2 3.33Å; L128-E132 HydrophobicContact CB-CB 4.26Å; L128-E132 HydrophobicContact CD2-CB 3.91Å; L128-R134 HydrophobicContact CD1-CB 4.14Å; L128-R134 HydrophobicContact CD1-CG 4.35Å; L128-E137 HydrophobicContact CD2-CB 4.16Å; L128-E137 HydrophobicContact CD2-CG 4.24Å
129	K	98.4	Very high	98.4	Very high	145 Å²	145	68.2 Å²	68.2	63%	0.63	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-79.1	156.8	171.6	-61	174.3	-171.3	156.4	0	110.7	G131 E132	K129-G131 PolarHBondContact O-N 3.26Å; K129-G131 VanDerWaalsContact O-N 3.15Å; K129-E132 HydrophobicContact CB-CG 4.18Å; K129-E132 PolarHBondContact N-OE2 2.91Å; K129-E132 WeakPolarHBondContact O-CB 3.44Å; K129-E132 PolarHBondContact O-N 3.48Å
130	P	98.3	Very high	98.4	Very high	140 Å²	140	68 Å²	68	91%	0.909	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	122.9	175.3	-26.1	35.1	0	0	0	112.1
131	G	97.5	Very high	98.4	Very high	79 Å²	79	71.3 Å²	71.3	81%	0.814	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	-11.8	-179.2	0	0	0	0	0	114.9	K129	K129-G131 PolarHBondContact O-N 3.26Å; K129-G131 VanDerWaalsContact O-N 3.15Å
132	E	98.4	Very high	98.4	Very high	51 Å²	51	66.9 Å²	66.9	24%	0.238	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-74.3	153.6	176.2	-77.5	179.2	-177.2	0	0	112.9	L128 K129 E137	L128-E132 WeakPolarHBondContact CA-OE2 3.33Å; L128-E132 HydrophobicContact CB-CB 4.26Å; L128-E132 HydrophobicContact CD2-CB 3.91Å; K129-E132 HydrophobicContact CB-CG 4.18Å; K129-E132 PolarHBondContact N-OE2 2.91Å; K129-E132 WeakPolarHBondContact O-CB 3.44Å; K129-E132 PolarHBondContact O-N 3.48Å; E132-E137 HydrophobicContact CB-CG 3.77Å; E132-E137 HydrophobicContact CG-CG 4.01Å
133	L	98.4	Very high	98.4	Very high	43 Å²	43	65.4 Å²	65.4	23%	0.225	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-92.4	117.2	-172.2	-59.4	170.4	0	0	0	112.1	M1 L135 L136 E137 Y193	M1-L133 HydrophobicContact CE-CD1 3.69Å; M1-L133 HydrophobicContact CE-CD2 3.67Å; M1-L133 HydrophobicContact CE-CG 4.25Å; M1-L133 HydrophobicContact SD-CD1 3.21Å; M1-L133 WeakPolarHBondContact SD-CD1 3.08Å; M1-L133 HydrophobicContact SD-CD2 3.84Å; M1-L133 HydrophobicContact SD-CG 4.13Å; L133-L135 PolarHBondContact O-N 2.84Å; L133-L136 HydrophobicContact CB-CB 3.87Å; L133-L136 HydrophobicContact CB-CD1 4.33Å; L133-L136 HydrophobicContact CD1-CB 4.45Å; L133-L136 HydrophobicContact CD1-CD1 4.24Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-L136 VanDerWaalsContact O-N 3.16Å; L133-E137 HydrophobicContact CB-CG 4.32Å; L133-E137 PolarHBondContact N-OE1 3.45Å; L133-E137 PolarHBondContact O-N 3.25Å; L133-Y193 HydrophobicContact CD1-CD1 4.3Å; L133-Y193 HydrophobicContact CD1-CD2 4.41Å; L133-Y193 HydrophobicContact CD1-CE1 3.82Å; L133-Y193 HydrophobicContact CD1-CE2 3.93Å
134	R	98.6	Very high	98.4	Very high	156 Å²	156	63.9 Å²	63.9	59%	0.589	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	127.9	174.2	-165.7	-170	64.4	86.2	5.5	111.3	T125 L128 L136	T125-R134 HydrophobicContact CG2-CG 3.85Å; T125-R134 WeakPolarHBondContact OG1-CG 3.49Å; L128-R134 HydrophobicContact CD1-CB 4.14Å; L128-R134 HydrophobicContact CD1-CG 4.35Å; R134-L136 PolarHBondContact O-N 3.44Å
135	L	98.3	Very high	98.3	Very high	29 Å²	29	60.8 Å²	60.8	15%	0.152	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	2.2	-179.8	-45.6	-173	0	0	0	116.7	M122 L133 F206 P208	M122-L135 HydrophobicContact CE-CD2 4.22Å; M122-L135 HydrophobicContact SD-CB 4.13Å; M122-L135 HydrophobicContact SD-CD2 3.89Å; L133-L135 PolarHBondContact O-N 2.84Å; L135-F206 HydrophobicContact CD1-CD1 4.39Å; L135-F206 HydrophobicContact CD1-CE1 4.03Å; L135-F206 HydrophobicContact CD2-CD1 3.81Å; L135-F206 HydrophobicContact CD2-CE1 3.76Å; L135-P208 WeakPolarHBondContact O-CB 3.3Å; L135-P208 WeakPolarHBondContact O-CG 3.5Å
136	L	98.6	Very high	98.3	Very high	30 Å²	30	59.1 Å²	59.1	16%	0.157	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-31.6	-176.8	-69.3	180	0	0	0	112.9	M1 L133 R134 Y193 Q195 V210	M1-L136 HydrophobicContact CE-CD1 4.09Å; L133-L136 HydrophobicContact CB-CB 3.87Å; L133-L136 HydrophobicContact CB-CD1 4.33Å; L133-L136 HydrophobicContact CD1-CB 4.45Å; L133-L136 HydrophobicContact CD1-CD1 4.24Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-L136 VanDerWaalsContact O-N 3.16Å; R134-L136 PolarHBondContact O-N 3.44Å; L136-Y193 HydrophobicContact CB-CD1 3.81Å; L136-Y193 HydrophobicContact CB-CE1 4.3Å; L136-Q195 HydrophobicContact CD2-CG 3.83Å; L136-V210 WeakPolarHBondContact O-CG2 3.37Å
137	E	98.6	Very high	98.1	Very high	8 Å²	8	58 Å²	58	4%	0.037	31%	0.306	C	S	.	.			trans	-68.6	147.3	175.8	-62	-56.7	153.3	0	0	112.2	M122 I123 L128 E132 L133 R141 Y193	M122-E137 WeakPolarHBondContact CA-O 3.38Å; I123-E137 HydrophobicContact CB-CB 4.36Å; I123-E137 HydrophobicContact CD1-CB 3.91Å; I123-E137 HydrophobicContact CG1-CB 4.2Å; I123-E137 PolarHBondContact N-O 2.94Å; L128-E137 HydrophobicContact CD2-CB 4.16Å; L128-E137 HydrophobicContact CD2-CG 4.24Å; E132-E137 HydrophobicContact CB-CG 3.77Å; E132-E137 HydrophobicContact CG-CG 4.01Å; L133-E137 HydrophobicContact CB-CG 4.32Å; L133-E137 PolarHBondContact N-OE1 3.45Å; L133-E137 PolarHBondContact O-N 3.25Å; E137-R141 IonicContact OE2-CZ 3.22Å; E137-R141 IonicContact OE2-NE 3.56Å; E137-R141 IonicContact OE2-NH2 3.96Å; E137-R141 PolarHBondContact OE2-NH2 3.07Å; E137-Y193 PolarHBondContact OE1-OH 3.19Å; E137-Y193 VanDerWaalsContact OE1-OH 3.11Å
138	V	98.8	Very high	97.9	Very high	4 Å²	4	55 Å²	55	2%	0.024	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-123.6	156.7	173.6	-62.3	0	0	0	0	110.3	S120 Y121 N140 R141 P208 V210	S120-V138 WeakPolarHBondContact OG-CB 3.5Å; S120-V138 WeakPolarHBondContact OG-CG1 3.48Å; Y121-V138 CarbonylContact O-C 3.51Å; Y121-V138 WeakPolarHBondContact O-CA 3.35Å; Y121-V138 WeakPolarHBondContact O-CB 3.4Å; V138-N140 WeakPolarHBondContact CG2-O 3.2Å; V138-R141 HydrophobicContact CG2-CG 3.88Å; V138-P208 HydrophobicContact CG1-CB 4.49Å; V138-P208 HydrophobicContact CG1-CG 3.73Å; V138-V210 HydrophobicContact CB-CG2 4.4Å; V138-V210 HydrophobicContact CG1-CG2 4.07Å; V138-V210 HydrophobicContact CG2-CB 3.73Å; V138-V210 HydrophobicContact CG2-CG2 3.66Å
139	D	98.3	Very high	97.8	Very high	82 Å²	82	54.7 Å²	54.7	44%	0.439	29%	0.289	S	S	.	.	S	Bend	trans	-65.9	-46.1	174.6	57.1	-5.9	0	0	0	112.5	S120 Y121	S120-D139 WeakPolarHBondContact CA-OD1 3.34Å; Y121-D139 PolarHBondContact N-OD1 3.33Å; Y121-D139 PolarHBondContact O-N 3.36Å
140	N	98.4	Very high	97.7	Very high	60 Å²	60	47.8 Å²	47.8	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-119.5	112.6	178.7	-60.2	-58.8	0	0	0	110.5	F118 D119 S120 V138	F118-N140 HydrophobicContact CD2-CB 3.63Å; F118-N140 HydrophobicContact CE2-CB 3.99Å; D119-N140 WeakPolarHBondContact O-CB 3.44Å; D119-N140 PolarHBondContact O-ND2 3.47Å; S120-N140 VanDerWaalsContact CB-O 3.31Å; S120-N140 WeakPolarHBondContact CB-O 3.42Å; S120-N140 PolarHBondContact OG-O 3.37Å; V138-N140 WeakPolarHBondContact CG2-O 3.2Å
141	R	98.6	Very high	97.6	Very high	71 Å²	71	44.4 Å²	44.4	27%	0.268	23%	0.229	S	C	.	.			trans	-80.9	153.6	177.2	-60.7	177.6	174.8	161.8	-1.5	111	E137 V138 V143 L191 V210 E212	E137-R141 IonicContact OE2-CZ 3.22Å; E137-R141 IonicContact OE2-NE 3.56Å; E137-R141 IonicContact OE2-NH2 3.96Å; E137-R141 PolarHBondContact OE2-NH2 3.07Å; V138-R141 HydrophobicContact CG2-CG 3.88Å; R141-V143 PolarHBondContact O-N 2.89Å; R141-L191 VanDerWaalsContact NH1-CD1 3.34Å; R141-V210 HydrophobicContact CB-CG1 4.41Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.81Å; R141-E212 HydrophobicContact CB-CB 4.28Å; R141-E212 VanDerWaalsContact CD-OE2 3.23Å; R141-E212 WeakPolarHBondContact CD-OE2 3.42Å; R141-E212 IonicContact NH1-OE2 3.88Å; R141-E212 PolarHBondContact NH1-OE2 2.95Å
142	V	98.5	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	96.4	174.6	-171.3	0	0	0	0	108.3	Y108 Y110 L144 V210 L211 E212	Y108-V142 HydrophobicContact CD1-CG1 3.96Å; Y108-V142 HydrophobicContact CD1-CG2 3.72Å; Y108-V142 HydrophobicContact CD2-CG2 3.66Å; Y108-V142 HydrophobicContact CE1-CB 4.4Å; Y108-V142 HydrophobicContact CE1-CG1 4.1Å; Y108-V142 HydrophobicContact CE1-CG2 3.38Å; Y108-V142 HydrophobicContact CE2-CG2 3.32Å; Y108-V142 HydrophobicContact CG-CG1 4.44Å; Y108-V142 HydrophobicContact CG-CG2 3.85Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.33Å; V142-L144 HydrophobicContact CG1-CD1 4.22Å; V142-L144 HydrophobicContact CG1-CD2 4.23Å; V142-L144 HydrophobicContact CG1-CG 4.06Å; V142-V210 PolarHBondContact N-O 2.76Å; V142-L211 HydrophobicContact CB-CD2 3.57Å; V142-L211 HydrophobicContact CG1-CD2 3.72Å; V142-L211 HydrophobicContact CG2-CD2 4.12Å; V142-L211 WeakPolarHBondContact O-CA 3.45Å; V142-E212 PolarHBondContact O-N 3.26Å
143	V	98.5	Very high	97.6	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.9	179.9	-174.1	0	0	0	0	109.4	Y110 R141 E212 V214 F219 W222	Y110-V143 PolarHBondContact OH-O 3.08Å; R141-V143 PolarHBondContact O-N 2.89Å; V143-E212 WeakPolarHBondContact CA-O 3.32Å; V143-E212 HydrophobicContact CG2-CB 4.28Å; V143-V214 HydrophobicContact CG1-CG1 4.49Å; V143-V214 HydrophobicContact CG1-CG2 3.59Å; V143-F219 HydrophobicContact CG1-CD2 4.35Å; V143-F219 WeakPolarHBondContact O-CE2 3.49Å; V143-W222 HydrophobicContact CB-CD2 3.54Å; V143-W222 HydrophobicContact CB-CE3 3.68Å; V143-W222 HydrophobicContact CB-CG 4.13Å; V143-W222 HydrophobicContact CB-CH2 3.96Å; V143-W222 HydrophobicContact CB-CZ2 3.84Å; V143-W222 HydrophobicContact CB-CZ3 3.89Å; V143-W222 HydrophobicContact CG1-CB 4.49Å; V143-W222 HydrophobicContact CG1-CD2 3.93Å; V143-W222 HydrophobicContact CG1-CE3 4.02Å; V143-W222 HydrophobicContact CG1-CG 4.13Å; V143-W222 HydrophobicContact CG2-CD2 3.75Å; V143-W222 VanDerWaalsContact CG2-CE2 3.44Å; V143-W222 HydrophobicContact CG2-CE3 4.39Å; V143-W222 HydrophobicContact CG2-CG 4.04Å; V143-W222 HydrophobicContact CG2-CH2 4.45Å; V143-W222 HydrophobicContact CG2-CZ2 3.82Å
144	L	98.2	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.3	-175	-67	177.6	0	0	0	110.9	L95 V97 Y110 V142 I150 L211 E212 M213 V214	L95-L144 HydrophobicContact CD2-CD2 4.27Å; V97-L144 HydrophobicContact CG2-CD2 3.84Å; Y110-L144 HydrophobicContact CE1-CD2 3.87Å; V142-L144 HydrophobicContact CG1-CD1 4.22Å; V142-L144 HydrophobicContact CG1-CD2 4.23Å; V142-L144 HydrophobicContact CG1-CG 4.06Å; L144-I150 HydrophobicContact CB-CD1 3.79Å; L144-I150 HydrophobicContact CD1-CD1 4.15Å; L144-I150 HydrophobicContact CD2-CD1 4.15Å; L144-I150 HydrophobicContact CD2-CG2 4.42Å; L144-I150 HydrophobicContact CG-CD1 4.24Å; L144-L211 HydrophobicContact CD1-CD1 4.45Å; L144-L211 HydrophobicContact CD1-CD2 3.92Å; L144-E212 PolarHBondContact N-O 2.74Å; L144-M213 HydrophobicContact CB-CE 4.22Å; L144-M213 HydrophobicContact CB-SD 3.51Å; L144-M213 VanDerWaalsContact CB-SD 3.51Å; L144-M213 HydrophobicContact CD1-SD 4.06Å; L144-M213 HydrophobicContact CG-SD 4.38Å; L144-M213 WeakPolarHBondContact O-CA 3.31Å; L144-V214 PolarHBondContact O-N 3.37Å
145	P	97.7	Very high	97.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.4	174.7	30.2	-33.8	0	0	0	111.5	L95 L148 I150 V214 L216 F219	L95-P145 HydrophobicContact CD2-CG 4.28Å; P145-L148 HydrophobicContact CB-CD1 3.93Å; P145-L148 HydrophobicContact CG-CB 4.49Å; P145-L148 HydrophobicContact CG-CD1 4.07Å; P145-I150 HydrophobicContact CG-CD1 4.16Å; P145-I150 HydrophobicContact CG-CG1 4.46Å; P145-V214 CarbonylContact C-O 3.55Å; P145-V214 VanDerWaalsContact CA-O 3.28Å; P145-V214 WeakPolarHBondContact CA-O 3.4Å; P145-L216 HydrophobicContact CB-CD1 4.06Å; P145-F219 HydrophobicContact CB-CB 4.33Å; P145-F219 HydrophobicContact CB-CD1 4.42Å; P145-F219 HydrophobicContact CB-CG 4.32Å; P145-F219 HydrophobicContact CG-CD1 4.28Å; P145-F219 HydrophobicContact CG-CG 4.36Å
146	M	96.8	Very high	97.7	Very high	31 Å²	31	29.5 Å²	29.5	15%	0.153	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	159.9	170.8	67.6	-178.8	-99	0	0	112	L148 P189 M213 V214 P215	M146-L148 PolarHBondContact O-N 2.8Å; M146-L148 VanDerWaalsContact O-N 3.07Å; M146-P189 HydrophobicContact SD-CB 3.7Å; M146-P189 HydrophobicContact SD-CG 3.98Å; M146-M213 HydrophobicContact CB-CB 4.28Å; M146-V214 PolarHBondContact N-O 3.5Å; M146-P215 HydrophobicContact SD-CG 4.28Å
147	E	95.4	Very high	97.7	Very high	134 Å²	134	34 Å²	34	63%	0.626	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	8.4	175.8	-58.7	176.7	-179.5	0	0	115.9	S186	E147-S186 PolarHBondContact N-O 3.28Å
148	L	94.3	Very high	97.6	Very high	45 Å²	45	36.3 Å²	36.3	24%	0.236	18%	0.178	C	C	.	.	S	Bend	trans	-115.1	143.9	177.1	-62.7	-178.9	0	0	0	111.5	V94 P145 M146 I150 L216	V94-L148 HydrophobicContact CG1-CD1 4.36Å; P145-L148 HydrophobicContact CB-CD1 3.93Å; P145-L148 HydrophobicContact CG-CB 4.49Å; P145-L148 HydrophobicContact CG-CD1 4.07Å; M146-L148 PolarHBondContact O-N 2.8Å; M146-L148 VanDerWaalsContact O-N 3.07Å; L148-I150 PolarHBondContact O-N 3.38Å; L148-L216 HydrophobicContact CD1-CD1 4.18Å
149	P	94.7	Very high	97.6	Very high	30 Å²	30	38.7 Å²	38.7	20%	0.195	19%	0.192	C	C	.	.			trans	-73.7	120.3	170.5	30.1	-32	0	0	0	110.5	N91 P93 V94 T185	N91-P149 HydrophobicContact CB-CB 4.32Å; P93-P149 CarbonylContact C-O 3.56Å; P93-P149 WeakPolarHBondContact CA-O 3.21Å; V94-P149 HydrophobicContact CG2-CG 4.28Å; V94-P149 PolarHBondContact N-O 3.27Å; P149-T185 HydrophobicContact CB-CG2 4.03Å
150	I	96.3	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.7	179.6	-59.2	158.2	0	0	0	108.1	L95 V97 L144 P145 L148 M152 T183 V184 M213	L95-I150 HydrophobicContact CB-CG1 4.39Å; L95-I150 HydrophobicContact CB-CG2 4.41Å; L95-I150 HydrophobicContact CD2-CG1 4.49Å; L95-I150 HydrophobicContact CD2-CG2 4.35Å; L95-I150 HydrophobicContact CG-CG2 4.43Å; L95-I150 CarbonylContact O-C 3.59Å; L95-I150 WeakPolarHBondContact O-CA 3.45Å; V97-I150 HydrophobicContact CG2-CG2 4.2Å; L144-I150 HydrophobicContact CB-CD1 3.79Å; L144-I150 HydrophobicContact CD1-CD1 4.15Å; L144-I150 HydrophobicContact CD2-CD1 4.15Å; L144-I150 HydrophobicContact CD2-CG2 4.42Å; L144-I150 HydrophobicContact CG-CD1 4.24Å; P145-I150 HydrophobicContact CG-CD1 4.16Å; P145-I150 HydrophobicContact CG-CG1 4.46Å; L148-I150 PolarHBondContact O-N 3.38Å; I150-M152 HydrophobicContact CG2-SD 4.47Å; I150-T183 CarbonylContact O-C 3.52Å; I150-T183 WeakPolarHBondContact O-CA 3.34Å; I150-V184 HydrophobicContact CB-CB 4.28Å; I150-V184 PolarHBondContact N-O 2.89Å; I150-V184 PolarHBondContact O-N 3.21Å; I150-M213 HydrophobicContact CD1-CE 4.27Å
151	R	97.3	Very high	97.6	Very high	70 Å²	70	35.9 Å²	35.9	26%	0.264	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.9	170.8	-177	-173	-69.4	142.7	-4	109	P93 L95 T96 V97 L153 Q181	P93-R151 HydrophobicContact CB-CB 3.79Å; P93-R151 HydrophobicContact CG-CB 3.79Å; P93-R151 VanDerWaalsContact CG-CZ 3.44Å; P93-R151 VanDerWaalsContact CG-NH2 3.35Å; L95-R151 PolarHBondContact O-N 3.42Å; T96-R151 CarbonylContact C-O 3.53Å; T96-R151 WeakPolarHBondContact CA-O 3.45Å; T96-R151 HydrophobicContact CG2-CB 4.35Å; T96-R151 HydrophobicContact CG2-CG 4.36Å; V97-R151 PolarHBondContact N-O 3.44Å; R151-L153 HydrophobicContact CG-CD2 4.22Å; R151-L153 HydrophobicContact CG-CG 4.39Å; R151-Q181 HydrophobicContact CG-CG 3.64Å
152	M	97.6	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.1	166.3	-68.2	-62.6	-60.1	0	0	109.6	V97 T99 Y108 I150 I154 W163 Q181 A182 V184	V97-M152 HydrophobicContact CB-CE 4.31Å; V97-M152 HydrophobicContact CB-SD 3.67Å; V97-M152 HydrophobicContact CG1-CE 4.1Å; V97-M152 HydrophobicContact CG1-SD 4.04Å; V97-M152 CarbonylContact O-C 3.58Å; V97-M152 WeakPolarHBondContact O-CA 3.42Å; T99-M152 HydrophobicContact CG2-CE 3.89Å; Y108-M152 HydrophobicContact CD1-CE 4.46Å; Y108-M152 HydrophobicContact CE1-CE 4.34Å; I150-M152 HydrophobicContact CG2-SD 4.47Å; M152-I154 HydrophobicContact CB-CD1 3.77Å; M152-I154 HydrophobicContact CB-CG1 4.37Å; M152-W163 HydrophobicContact CE-CH2 4.22Å; M152-W163 HydrophobicContact CE-CZ2 3.96Å; M152-W163 HydrophobicContact CG-CH2 4.34Å; M152-W163 HydrophobicContact CG-CZ3 4.5Å; M152-Q181 WeakPolarHBondContact O-CA 3.4Å; M152-A182 PolarHBondContact N-O 3.45Å; M152-A182 PolarHBondContact O-N 3.1Å; M152-V184 HydrophobicContact CB-CG2 4.12Å; M152-V184 HydrophobicContact CG-CB 4.17Å; M152-V184 HydrophobicContact CG-CG2 3.26Å
153	L	98.4	Very high	97.7	Very high	29 Å²	29	32.5 Å²	32.5	15%	0.152	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.6	169.8	-64.2	175.6	0	0	0	108.4	T96 V97 K98 T99 R151 L179 N180 Q181	T96-L153 HydrophobicContact CG2-CD1 3.53Å; T96-L153 HydrophobicContact CG2-CG 3.92Å; V97-L153 PolarHBondContact O-N 3.48Å; K98-L153 CarbonylContact C-O 3.55Å; K98-L153 VanDerWaalsContact CA-O 3.3Å; K98-L153 WeakPolarHBondContact CA-O 3.49Å; K98-L153 HydrophobicContact CB-CB 4.4Å; K98-L153 HydrophobicContact CG-CB 4.1Å; T99-L153 PolarHBondContact N-O 3.22Å; R151-L153 HydrophobicContact CG-CD2 4.22Å; R151-L153 HydrophobicContact CG-CG 4.39Å; L153-L179 HydrophobicContact CB-CD1 3.9Å; L153-L179 HydrophobicContact CB-CD2 4.36Å; L153-L179 HydrophobicContact CB-CG 4.04Å; L153-L179 HydrophobicContact CD1-CD2 3.99Å; L153-L179 HydrophobicContact CD2-CD2 4.28Å; L153-L179 HydrophobicContact CD2-CG 4.24Å; L153-L179 HydrophobicContact CG-CD2 4.44Å; L153-N180 CarbonylContact C-O 3.58Å; L153-N180 VanDerWaalsContact CA-O 3.31Å; L153-N180 WeakPolarHBondContact CA-O 3.43Å; L153-Q181 HydrophobicContact CD2-CB 4.04Å; L153-Q181 HydrophobicContact CD2-CG 4.06Å
154	I	98.8	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.8	-170.3	-57.3	103.7	0	0	0	109.4	T99 M152 W163 T172 A174 N180 A182	T99-I154 HydrophobicContact CG2-CB 4.08Å; T99-I154 HydrophobicContact CG2-CG1 3.59Å; T99-I154 HydrophobicContact CG2-CG2 4.1Å; M152-I154 HydrophobicContact CB-CD1 3.77Å; M152-I154 HydrophobicContact CB-CG1 4.37Å; I154-W163 HydrophobicContact CG1-CB 4.32Å; I154-W163 HydrophobicContact CG2-CB 3.8Å; I154-T172 HydrophobicContact CB-CG2 4.21Å; I154-T172 HydrophobicContact CD1-CG2 3.89Å; I154-T172 HydrophobicContact CG1-CG2 4.46Å; I154-A174 HydrophobicContact CG2-CB 3.71Å; I154-N180 PolarHBondContact N-O 2.78Å; I154-N180 PolarHBondContact O-N 3Å; I154-A182 HydrophobicContact CD1-CB 3.93Å
155	S	98.8	Very high	97.7	Very high	11 Å²	11	32.4 Å²	32.4	8%	0.077	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	179.8	175.8	179.7	0	0	0	0	109.9	T99 M100 G101 A174 R178	T99-S155 PolarHBondContact O-N 3.44Å; T99-S155 VanDerWaalsContact O-N 3.1Å; M100-S155 WeakPolarHBondContact CA-O 3.45Å; G101-S155 PolarHBondContact N-O 3.4Å; S155-A174 WeakPolarHBondContact O-CB 3.29Å; S155-R178 WeakPolarHBondContact CB-O 3.49Å; S155-R178 PolarHBondContact OG-O 2.98Å
156	S	98.6	Very high	97.7	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.6	172.4	173.3	0	0	0	0	111.3	G101 D158 V159 H161 P176	G101-S156 WeakPolarHBondContact O-CA 3.33Å; G101-S156 WeakPolarHBondContact O-CB 3.26Å; G101-S156 PolarHBondContact O-OG 3.01Å; S156-D158 PolarHBondContact OG-N 2.92Å; S156-D158 VanDerWaalsContact OG-N 3.08Å; S156-D158 PolarHBondContact OG-OD1 3.08Å; S156-V159 VanDerWaalsContact CB-O 3.26Å; S156-V159 WeakPolarHBondContact CB-O 3.45Å; S156-V159 PolarHBondContact OG-O 3.22Å; S156-H161 PolarHBondContact OG-CD2 3.28Å; S156-P176 WeakPolarHBondContact O-CA 3.46Å
157	E	98.4	Very high	97.8	Very high	125 Å²	125	33.8 Å²	33.8	58%	0.584	18%	0.175	S	C	*	.	S	Bend	trans	-98.9	-8.4	171.8	-63.5	-164.9	-175.4	0	0	114	M100 G101 H102	M100-E157 HydrophobicContact CB-CG 4.37Å; M100-E157 HydrophobicContact CE-CG 3.44Å; M100-E157 VanDerWaalsContact CE-CG 3.44Å; G101-E157 PolarHBondContact O-N 3.42Å; H102-E157 IonicContact CE1-OE1 3.85Å; H102-E157 IonicContact CE1-OE2 3.21Å; H102-E157 PolarHBondContact CE1-OE2 3.37Å; H102-E157 IonicContact ND1-OE2 3.84Å
158	D	97.9	Very high	97.9	Very high	57 Å²	57	27.5 Å²	27.5	31%	0.305	15%	0.146	S	C	.	.	S	Bend	trans	-132.3	-85	-176.2	52.7	23.4	0	0	0	114.7	H102 Q103 S156 H161 P176	H102-D158 WeakPolarHBondContact CA-OD2 3.14Å; Q103-D158 WeakPolarHBondContact CB-OD2 3.4Å; Q103-D158 WeakPolarHBondContact CG-OD2 3.47Å; Q103-D158 PolarHBondContact N-OD2 3.12Å; S156-D158 PolarHBondContact OG-N 2.92Å; S156-D158 VanDerWaalsContact OG-N 3.08Å; S156-D158 PolarHBondContact OG-OD1 3.08Å; D158-H161 IonicContact OD1-CD2 2.68Å; D158-H161 IonicContact OD1-CE1 2.91Å; D158-H161 IonicContact OD1-NE2 3.84Å; D158-H161 PolarHBondContact OD1-NE2 2.99Å; D158-P176 WeakPolarHBondContact O-CG 3.41Å
159	V	98.5	Very high	98.1	Very high	53 Å²	53	26.2 Å²	26.2	32%	0.321	14%	0.143	S	C	.	.	S	Bend	trans	-112.9	-178.4	-175.2	-62.4	0	0	0	0	110.5	Q103 S156 H161 P176 C200	Q103-V159 HydrophobicContact CG-CG2 3.9Å; S156-V159 VanDerWaalsContact CB-O 3.26Å; S156-V159 WeakPolarHBondContact CB-O 3.45Å; S156-V159 PolarHBondContact OG-O 3.22Å; V159-H161 PolarHBondContact O-CD2 3.45Å; V159-H161 PolarHBondContact O-N 3.09Å; V159-P176 WeakPolarHBondContact O-CG 3.42Å; V159-C200 HydrophobicContact CG2-CB 3.84Å
160	L	98.7	Very high	98.3	Very high	84 Å²	84	25.8 Å²	25.8	44%	0.44	14%	0.139	S	C	.	.			trans	-68.5	133.5	171.9	-63.2	177.4	0	0	0	110.3	I175 E198 C200	L160-I175 HydrophobicContact CD2-CB 4.12Å; L160-I175 HydrophobicContact CD2-CG1 3.79Å; L160-I175 HydrophobicContact CD2-CG2 4Å; L160-E198 HydrophobicContact CB-CG 3.79Å; L160-C200 WeakPolarHBondContact O-CB 3.47Å
161	H	98.8	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	177	165.6	-58	-96.8	0	0	0	108.8	H102 W106 S156 D158 V159 D173 A174 C200 M207	H102-H161 VanDerWaalsContact C-CE1 3.47Å; H102-H161 PolarHBondContact O-CE1 3.14Å; W106-H161 HydrophobicContact CH2-CB 3.73Å; W106-H161 HydrophobicContact CZ2-CB 4.13Å; S156-H161 PolarHBondContact OG-CD2 3.28Å; D158-H161 IonicContact OD1-CD2 2.68Å; D158-H161 IonicContact OD1-CE1 2.91Å; D158-H161 IonicContact OD1-NE2 3.84Å; D158-H161 PolarHBondContact OD1-NE2 2.99Å; V159-H161 PolarHBondContact O-CD2 3.45Å; V159-H161 PolarHBondContact O-N 3.09Å; H161-D173 WeakPolarHBondContact O-CA 3.24Å; H161-A174 HydrophobicContact CB-CB 3.95Å; H161-A174 PolarHBondContact N-O 3.47Å; H161-A174 PolarHBondContact O-N 3.05Å; H161-C200 WeakPolarHBondContact CE1-CB 3.44Å; H161-C200 VanDerWaalsContact ND1-CB 3.26Å; H161-C200 WeakPolarHBondContact ND1-CB 3.48Å; H161-C200 PolarHBondContact ND1-SG 3.47Å; H161-M207 WeakPolarHBondContact ND1-CE 3.41Å
162	S	98.7	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	117.7	173.2	-173	0	0	0	0	110	K171 D173 C196 S197	S162-K171 VanDerWaalsContact OG-CE 3.28Å; S162-K171 WeakPolarHBondContact OG-CE 3.47Å; S162-D173 VanDerWaalsContact CB-OD1 3.22Å; S162-D173 WeakPolarHBondContact CB-OD1 3.34Å; S162-D173 PolarHBondContact OG-OD1 3.48Å; S162-C196 WeakPolarHBondContact O-CA 3.43Å; S162-S197 PolarHBondContact O-N 3Å
163	W	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.7	-177.8	-168.1	89.9	0	0	0	108.7	T99 W106 Y108 M152 I154 V165 L170 K171 T172 I209 L211	T99-W163 HydrophobicContact CG2-CD2 4.42Å; T99-W163 HydrophobicContact CG2-CG 4.01Å; W106-W163 AromaticContact CD2-CD1 3.96Å; W106-W163 AromaticContact CE3-CD1 3.75Å; W106-W163 HydrophobicContact CH2-CB 3.68Å; W106-W163 HydrophobicContact CH2-CG 4.29Å; W106-W163 HydrophobicContact CZ2-CB 4.28Å; W106-W163 HydrophobicContact CZ3-CB 3.95Å; W106-W163 AromaticContact CZ3-CD1 3.78Å; W106-W163 HydrophobicContact CZ3-CG 4.28Å; Y108-W163 AromaticContact CE1-NE1 3.66Å; Y108-W163 AromaticContact CZ-NE1 3.75Å; Y108-W163 PolarHBondContact OH-NE1 3.48Å; M152-W163 HydrophobicContact CE-CH2 4.22Å; M152-W163 HydrophobicContact CE-CZ2 3.96Å; M152-W163 HydrophobicContact CG-CH2 4.34Å; M152-W163 HydrophobicContact CG-CZ3 4.5Å; I154-W163 HydrophobicContact CG1-CB 4.32Å; I154-W163 HydrophobicContact CG2-CB 3.8Å; W163-V165 HydrophobicContact CH2-CG2 3.8Å; W163-V165 HydrophobicContact CZ2-CG2 4.04Å; W163-V165 HydrophobicContact CZ3-CG2 4.06Å; W163-L170 HydrophobicContact CZ3-CB 4.35Å; W163-L170 HydrophobicContact CZ3-CD1 4.04Å; W163-K171 WeakPolarHBondContact O-CA 3.33Å; W163-T172 PolarHBondContact N-O 3.46Å; W163-T172 PolarHBondContact O-N 2.98Å; W163-I209 HydrophobicContact CB-CD1 4.39Å; W163-I209 VanDerWaalsContact CD1-CD1 3.4Å; W163-I209 HydrophobicContact CD2-CD1 4.21Å; W163-I209 HydrophobicContact CG-CD1 3.77Å; W163-I209 HydrophobicContact CZ2-CG2 3.91Å; W163-L211 HydrophobicContact CH2-CD1 4.08Å; W163-L211 HydrophobicContact CH2-CD2 4.13Å; W163-L211 HydrophobicContact CZ2-CD1 4.49Å; W163-L211 HydrophobicContact CZ2-CD2 3.78Å; W163-L211 HydrophobicContact CZ2-CG 4.46Å
164	A	98.8	Very high	98.5	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.8	-171.9	0	0	0	0	0	112.3	L170 K171 G194 Q195 S197	A164-L170 CarbonylContact C-O 3.59Å; A164-L170 VanDerWaalsContact CA-O 3.27Å; A164-L170 WeakPolarHBondContact CA-O 3.38Å; A164-K171 HydrophobicContact CB-CB 4.09Å; A164-K171 HydrophobicContact CB-CG 4.06Å; A164-G194 WeakPolarHBondContact O-CA 3.46Å; A164-Q195 PolarHBondContact O-N 3.41Å; A164-S197 VanDerWaalsContact CB-OG 3.22Å; A164-S197 WeakPolarHBondContact CB-OG 3.24Å
165	V	98.8	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	93.8	174.1	-174.6	0	0	0	0	108.1	W163 S167 L168 G169 L170 F192 I209 L211	W163-V165 HydrophobicContact CH2-CG2 3.8Å; W163-V165 HydrophobicContact CZ2-CG2 4.04Å; W163-V165 HydrophobicContact CZ3-CG2 4.06Å; V165-S167 PolarHBondContact O-N 3.18Å; V165-L168 HydrophobicContact CB-CD1 4.32Å; V165-L168 HydrophobicContact CG1-CB 4.39Å; V165-L168 HydrophobicContact CG1-CD1 3.87Å; V165-L168 HydrophobicContact CG1-CG 4.2Å; V165-L168 PolarHBondContact O-N 3.29Å; V165-L168 VanDerWaalsContact O-N 3.13Å; V165-G169 PolarHBondContact O-N 3.23Å; V165-L170 PolarHBondContact N-O 3.2Å; V165-L170 PolarHBondContact O-N 3.35Å; V165-F192 HydrophobicContact CG1-CB 4.03Å; V165-I209 HydrophobicContact CG2-CG2 3.82Å; V165-L211 HydrophobicContact CB-CD1 4.41Å; V165-L211 HydrophobicContact CG1-CD1 4.13Å; V165-L211 HydrophobicContact CG2-CD1 3.98Å; V165-L211 HydrophobicContact CG2-CG 4.21Å
166	P	98.6	Very high	98.5	Very high	60 Å²	60	35.6 Å²	35.6	39%	0.39	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-60.5	-37.4	-167.7	-28.5	35.9	0	0	0	115.3	L168 G169	P166-L168 PolarHBondContact O-N 3.07Å; P166-G169 PolarHBondContact O-N 3.48Å
167	S	98.3	Very high	98.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-65	-24	-179.3	65.4	0	0	0	0	112.8	A12 T13 M17 V165	A12-S167 CarbonylContact C-O 3.59Å; T13-S167 PolarHBondContact N-O 3.22Å; T13-S167 WeakPolarHBondContact OG1-CB 3.48Å; T13-S167 PolarHBondContact OG1-O 3.4Å; T13-S167 PolarHBondContact OG1-OG 2.89Å; T13-S167 VanDerWaalsContact OG1-OG 3.1Å; M17-S167 WeakPolarHBondContact CB-O 3.47Å; M17-S167 WeakPolarHBondContact CG-O 3.35Å; V165-S167 PolarHBondContact O-N 3.18Å
168	L	98.1	Very high	98.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-91.1	-3.5	175	-69.1	169.6	0	0	0	113	T13 S14 V165 P166 L170 V184 T185 L211	T13-L168 WeakPolarHBondContact OG1-CD2 3.31Å; T13-L168 VanDerWaalsContact OG1-CG 3.28Å; T13-L168 WeakPolarHBondContact OG1-CG 3.26Å; T13-L168 PolarHBondContact OG1-N 2.75Å; S14-L168 PolarHBondContact OG-O 3.09Å; V165-L168 HydrophobicContact CB-CD1 4.32Å; V165-L168 HydrophobicContact CG1-CB 4.39Å; V165-L168 HydrophobicContact CG1-CD1 3.87Å; V165-L168 HydrophobicContact CG1-CG 4.2Å; V165-L168 PolarHBondContact O-N 3.29Å; V165-L168 VanDerWaalsContact O-N 3.13Å; P166-L168 PolarHBondContact O-N 3.07Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 HydrophobicContact CB-CB 4.49Å; L168-L170 HydrophobicContact CB-CD1 3.52Å; L168-L170 HydrophobicContact CB-CG 3.77Å; L168-L170 HydrophobicContact CD1-CD1 3.81Å; L168-L170 HydrophobicContact CG-CD1 4.3Å; L168-V184 HydrophobicContact CD1-CG1 4.08Å; L168-T185 WeakPolarHBondContact CD2-O 3.46Å; L168-L211 HydrophobicContact CD1-CD1 3.36Å
169	G	97.9	Very high	98.4	Very high	17 Å²	17	42.4 Å²	42.4	18%	0.175	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	27.7	-175.1	0	0	0	0	0	113.3	M17 V165 P166	M17-G169 VanDerWaalsContact SD-CA 3.57Å; V165-G169 PolarHBondContact O-N 3.23Å; P166-G169 PolarHBondContact O-N 3.48Å
170	L	97.9	Very high	98.4	Very high	22 Å²	22	41 Å²	41	12%	0.115	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.4	-174.2	-61.2	168.5	0	0	0	111.1	W163 A164 V165 L168 T183 V184	W163-L170 HydrophobicContact CZ3-CB 4.35Å; W163-L170 HydrophobicContact CZ3-CD1 4.04Å; A164-L170 CarbonylContact C-O 3.59Å; A164-L170 VanDerWaalsContact CA-O 3.27Å; A164-L170 WeakPolarHBondContact CA-O 3.38Å; V165-L170 PolarHBondContact N-O 3.2Å; V165-L170 PolarHBondContact O-N 3.35Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 HydrophobicContact CB-CB 4.49Å; L168-L170 HydrophobicContact CB-CD1 3.52Å; L168-L170 HydrophobicContact CB-CG 3.77Å; L168-L170 HydrophobicContact CD1-CD1 3.81Å; L168-L170 HydrophobicContact CG-CD1 4.3Å; L170-T183 WeakPolarHBondContact CD2-O 2.94Å; L170-V184 HydrophobicContact CD1-CB 4.21Å; L170-V184 HydrophobicContact CD1-CG1 4.05Å; L170-V184 HydrophobicContact CD1-CG2 3.45Å; L170-V184 VanDerWaalsContact CD1-CG2 3.45Å; L170-V184 HydrophobicContact CD2-CG2 4.4Å
171	K	98.6	Very high	98.3	Very high	123 Å²	123	41 Å²	41	54%	0.535	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	123.9	164.6	177.8	173.4	175.7	171.7	0	108	S162 W163 A164 S197	S162-K171 VanDerWaalsContact OG-CE 3.28Å; S162-K171 WeakPolarHBondContact OG-CE 3.47Å; W163-K171 WeakPolarHBondContact O-CA 3.33Å; A164-K171 HydrophobicContact CB-CB 4.09Å; A164-K171 HydrophobicContact CB-CG 4.06Å; K171-S197 PolarHBondContact NZ-O 3.47Å
172	T	98.6	Very high	98.1	Very high	24 Å²	24	41.6 Å²	41.6	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	128.6	178.3	-55.7	0	0	0	0	109.7	I154 W163 N180	I154-T172 HydrophobicContact CB-CG2 4.21Å; I154-T172 HydrophobicContact CD1-CG2 3.89Å; I154-T172 HydrophobicContact CG1-CG2 4.46Å; W163-T172 PolarHBondContact N-O 3.46Å; W163-T172 PolarHBondContact O-N 2.98Å; T172-N180 HydrophobicContact CG2-CB 3.49Å; T172-N180 VanDerWaalsContact CG2-CB 3.49Å
173	D	98.8	Very high	97.9	Very high	63 Å²	63	43.3 Å²	43.3	34%	0.337	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.3	-179.4	-60.5	-17.4	0	0	0	110.7	H161 S162 I175 N180	H161-D173 WeakPolarHBondContact O-CA 3.24Å; S162-D173 VanDerWaalsContact CB-OD1 3.22Å; S162-D173 WeakPolarHBondContact CB-OD1 3.34Å; S162-D173 PolarHBondContact OG-OD1 3.48Å; D173-I175 HydrophobicContact CB-CD1 4.16Å; D173-I175 HydrophobicContact CB-CG1 4.02Å; D173-N180 PolarHBondContact O-ND2 3.14Å
174	A	98.8	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	104	171.2	0	0	0	0	0	107.4	W106 I154 S155 H161	W106-A174 HydrophobicContact CH2-CB 4.11Å; W106-A174 HydrophobicContact CZ3-CB 4.07Å; I154-A174 HydrophobicContact CG2-CB 3.71Å; S155-A174 WeakPolarHBondContact O-CB 3.29Å; H161-A174 HydrophobicContact CB-CB 3.95Å; H161-A174 PolarHBondContact N-O 3.47Å; H161-A174 PolarHBondContact O-N 3.05Å
175	I	98.8	Very high	97.6	Very high	53 Å²	53	44.6 Å²	44.6	27%	0.272	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-111.8	123.8	-172.9	-61.1	165.6	0	0	0	108.6	L160 D173 G177 R178	L160-I175 HydrophobicContact CD2-CB 4.12Å; L160-I175 HydrophobicContact CD2-CG1 3.79Å; L160-I175 HydrophobicContact CD2-CG2 4Å; D173-I175 HydrophobicContact CB-CD1 4.16Å; D173-I175 HydrophobicContact CB-CG1 4.02Å; I175-G177 PolarHBondContact O-N 2.95Å; I175-R178 HydrophobicContact CB-CB 4.07Å; I175-R178 HydrophobicContact CG2-CB 4.11Å; I175-R178 PolarHBondContact O-N 3.38Å; I175-R178 VanDerWaalsContact O-O 3.08Å
176	P	98.3	Very high	97.5	Very high	53 Å²	53	44.6 Å²	44.6	34%	0.344	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-54.9	128.1	177.2	-24.5	32.6	0	0	0	111.9	S156 D158 V159 R178	S156-P176 WeakPolarHBondContact O-CA 3.46Å; D158-P176 WeakPolarHBondContact O-CG 3.41Å; V159-P176 WeakPolarHBondContact O-CG 3.42Å; P176-R178 VanDerWaalsContact C-N 3.31Å; P176-R178 PolarHBondContact O-N 3.4Å
177	G	97.3	Very high	97.2	Very high	87 Å²	87	45.1 Å²	45.1	90%	0.897	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.8	-178.1	0	0	0	0	0	115.4	I175	I175-G177 PolarHBondContact O-N 2.95Å
178	R	98.1	Very high	97.1	Very high	149 Å²	149	49.7 Å²	49.7	56%	0.562	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-131.1	127.5	174.8	177.3	178.8	174.9	99.4	6	111.1	S155 I175 P176 N180	S155-R178 WeakPolarHBondContact CB-O 3.49Å; S155-R178 PolarHBondContact OG-O 2.98Å; I175-R178 HydrophobicContact CB-CB 4.07Å; I175-R178 HydrophobicContact CG2-CB 4.11Å; I175-R178 PolarHBondContact O-N 3.38Å; I175-R178 VanDerWaalsContact O-O 3.08Å; P176-R178 VanDerWaalsContact C-N 3.31Å; P176-R178 PolarHBondContact O-N 3.4Å; R178-N180 PolarHBondContact NE-OD1 3.44Å; R178-N180 PolarHBondContact NH2-OD1 3.24Å
179	L	97.9	Very high	97.1	Very high	93 Å²	93	53.3 Å²	53.3	49%	0.487	29%	0.294	S	S	.	.			trans	-95.6	99	174.8	-159.4	65.9	0	0	0	109.7	K98 L153	K98-L179 HydrophobicContact CD-CD1 4.47Å; K98-L179 HydrophobicContact CG-CD1 4.35Å; L153-L179 HydrophobicContact CB-CD1 3.9Å; L153-L179 HydrophobicContact CB-CD2 4.36Å; L153-L179 HydrophobicContact CB-CG 4.04Å; L153-L179 HydrophobicContact CD1-CD2 3.99Å; L153-L179 HydrophobicContact CD2-CD2 4.28Å; L153-L179 HydrophobicContact CD2-CG 4.24Å; L153-L179 HydrophobicContact CG-CD2 4.44Å
180	N	97.9	Very high	97.1	Very high	24 Å²	24	54 Å²	54	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	154.5	172.3	-77.6	-38	0	0	0	110.5	L153 I154 T172 D173 R178	L153-N180 CarbonylContact C-O 3.58Å; L153-N180 VanDerWaalsContact CA-O 3.31Å; L153-N180 WeakPolarHBondContact CA-O 3.43Å; I154-N180 PolarHBondContact N-O 2.78Å; I154-N180 PolarHBondContact O-N 3Å; T172-N180 HydrophobicContact CG2-CB 3.49Å; T172-N180 VanDerWaalsContact CG2-CB 3.49Å; D173-N180 PolarHBondContact O-ND2 3.14Å; R178-N180 PolarHBondContact NE-OD1 3.44Å; R178-N180 PolarHBondContact NH2-OD1 3.24Å
181	Q	96	Very high	97.2	Very high	82 Å²	82	55.6 Å²	55.6	38%	0.383	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.8	179	-174.8	-178.9	-49.5	0	0	110.2	R151 M152 L153	R151-Q181 HydrophobicContact CG-CG 3.64Å; M152-Q181 WeakPolarHBondContact O-CA 3.4Å; L153-Q181 HydrophobicContact CD2-CB 4.04Å; L153-Q181 HydrophobicContact CD2-CG 4.06Å
182	A	95.5	Very high	97.2	Very high	14 Å²	14	50.5 Å²	50.5	12%	0.116	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.4	167.8	0	0	0	0	0	110.4	M152 I154	M152-A182 PolarHBondContact N-O 3.45Å; M152-A182 PolarHBondContact O-N 3.1Å; I154-A182 HydrophobicContact CD1-CB 3.93Å
183	T	95.6	Very high	97.2	Very high	36 Å²	36	50.4 Å²	50.4	22%	0.221	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.3	174.5	-57.7	0	0	0	0	109.9	I150 L170 T185	I150-T183 CarbonylContact O-C 3.52Å; I150-T183 WeakPolarHBondContact O-CA 3.34Å; L170-T183 WeakPolarHBondContact CD2-O 2.94Å; T183-T185 HydrophobicContact CG2-CG2 4.49Å
184	V	95.3	Very high	97.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.7	179.4	-179.5	0	0	0	0	109.6	I150 M152 L168 L170	I150-V184 HydrophobicContact CB-CB 4.28Å; I150-V184 PolarHBondContact N-O 2.89Å; I150-V184 PolarHBondContact O-N 3.21Å; M152-V184 HydrophobicContact CB-CG2 4.12Å; M152-V184 HydrophobicContact CG-CB 4.17Å; M152-V184 HydrophobicContact CG-CG2 3.26Å; L168-V184 HydrophobicContact CD1-CG1 4.08Å; L170-V184 HydrophobicContact CD1-CB 4.21Å; L170-V184 HydrophobicContact CD1-CG1 4.05Å; L170-V184 HydrophobicContact CD1-CG2 3.45Å; L170-V184 VanDerWaalsContact CD1-CG2 3.45Å; L170-V184 HydrophobicContact CD2-CG2 4.4Å
185	T	94.9	Very high	97.2	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.19	29%	0.289	C	S	.	.			trans	-144	131.6	174.9	51.2	0	0	0	0	108.3	S14 P149 L168 T183	S14-T185 WeakPolarHBondContact CB-O 3.06Å; P149-T185 HydrophobicContact CB-CG2 4.03Å; L168-T185 WeakPolarHBondContact CD2-O 3.46Å; T183-T185 HydrophobicContact CG2-CG2 4.49Å
186	S	96.5	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.279	C	S	.	.			trans	-118.5	133.2	167.9	-176.1	0	0	0	0	110.3	T13 E147 R188 F192	T13-S186 WeakPolarHBondContact O-CA 3.46Å; T13-S186 PolarHBondContact O-OG 2.67Å; E147-S186 PolarHBondContact N-O 3.28Å; S186-R188 PolarHBondContact O-N 2.88Å; S186-R188 PolarHBondContact OG-N 3.49Å; S186-R188 PolarHBondContact OG-O 3.14Å; S186-F192 WeakPolarHBondContact OG-CE2 3.47Å
187	N	93.1	Very high	97.2	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	28%	0.277	S	S	.	.	S	Bend	trans	-82.5	-4.8	176.4	-68.1	-10.2	0	0	0	112.7	T13	T13-N187 PolarHBondContact O-N 3.24Å; T13-N187 VanDerWaalsContact O-N 3.15Å
188	R	96.1	Very high	97.3	Very high	99 Å²	99	48 Å²	48	37%	0.374	25%	0.249	S	C	.	.	S	Bend	trans	-141	148	-173.2	-48.7	-166.8	-60.1	-86.2	6.4	111	A12 S186	A12-R188 VanDerWaalsContact O-CZ 3.27Å; A12-R188 PolarHBondContact O-NH1 3.46Å; A12-R188 PolarHBondContact O-NH2 2.91Å; S186-R188 PolarHBondContact O-N 2.88Å; S186-R188 PolarHBondContact OG-N 3.49Å; S186-R188 PolarHBondContact OG-O 3.14Å
189	P	98.3	Very high	97.3	Very high	79 Å²	79	47.2 Å²	47.2	51%	0.513	25%	0.254	S	S	.	.			trans	-71.5	159.8	168.7	31.1	-33	0	0	0	110.8	M146 M213	M146-P189 HydrophobicContact SD-CB 3.7Å; M146-P189 HydrophobicContact SD-CG 3.98Å; P189-M213 WeakPolarHBondContact CA-O 3.26Å; P189-M213 WeakPolarHBondContact CB-O 3.32Å
190	G	98.2	Very high	97.3	Very high	30 Å²	30	43 Å²	43	31%	0.309	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-172.9	172.4	0	0	0	0	0	114.2	M213	G190-M213 PolarHBondContact N-O 3.29Å; G190-M213 PolarHBondContact O-N 3.4Å
191	L	98.7	Very high	97.3	Very high	57 Å²	57	43.8 Å²	43.8	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.3	178.3	-59.4	176.2	0	0	0	110.6	R141 Y193 V210 L211 E212	R141-L191 VanDerWaalsContact NH1-CD1 3.34Å; L191-Y193 HydrophobicContact CB-CE2 3.72Å; L191-Y193 WeakPolarHBondContact CD1-OH 3.44Å; L191-V210 HydrophobicContact CD2-CG1 4.39Å; L191-L211 CarbonylContact C-O 3.58Å; L191-L211 WeakPolarHBondContact CA-O 3.34Å; L191-E212 HydrophobicContact CD2-CB 3.7Å; L191-E212 HydrophobicContact CD2-CG 3.69Å
192	F	98.7	Very high	97.4	Very high	16 Å²	16	44.7 Å²	44.7	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.7	178.9	-54.1	-59.1	0	0	0	110.1	T13 V165 S186 L211 M213	T13-F192 HydrophobicContact CG2-CD1 3.52Å; T13-F192 HydrophobicContact CG2-CE1 3.09Å; T13-F192 HydrophobicContact CG2-CG 4.44Å; T13-F192 HydrophobicContact CG2-CZ 3.7Å; V165-F192 HydrophobicContact CG1-CB 4.03Å; S186-F192 WeakPolarHBondContact OG-CE2 3.47Å; F192-L211 HydrophobicContact CB-CB 4.33Å; F192-L211 PolarHBondContact N-O 2.75Å; F192-L211 PolarHBondContact O-N 2.92Å; F192-M213 HydrophobicContact CD2-CB 4.46Å; F192-M213 HydrophobicContact CD2-CG 3.59Å; F192-M213 HydrophobicContact CE2-CB 3.96Å; F192-M213 HydrophobicContact CE2-CG 3.46Å; F192-M213 VanDerWaalsContact CE2-CG 3.46Å
193	Y	98.8	Very high	97.5	Very high	21 Å²	21	47.1 Å²	47.1	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.3	-170.3	-63.3	-96	0	0	0	110.9	M1 L133 L136 E137 L191 I209 V210	M1-Y193 HydrophobicContact CB-CD2 3.91Å; M1-Y193 HydrophobicContact CB-CG 4.44Å; L133-Y193 HydrophobicContact CD1-CD1 4.3Å; L133-Y193 HydrophobicContact CD1-CD2 4.41Å; L133-Y193 HydrophobicContact CD1-CE1 3.82Å; L133-Y193 HydrophobicContact CD1-CE2 3.93Å; L136-Y193 HydrophobicContact CB-CD1 3.81Å; L136-Y193 HydrophobicContact CB-CE1 4.3Å; E137-Y193 PolarHBondContact OE1-OH 3.19Å; E137-Y193 VanDerWaalsContact OE1-OH 3.11Å; L191-Y193 HydrophobicContact CB-CE2 3.72Å; L191-Y193 WeakPolarHBondContact CD1-OH 3.44Å; Y193-I209 CarbonylContact C-O 3.52Å; Y193-I209 WeakPolarHBondContact CA-O 3.47Å; Y193-V210 HydrophobicContact CD1-CB 4.45Å; Y193-V210 HydrophobicContact CD1-CG1 4.21Å; Y193-V210 HydrophobicContact CD1-CG2 3.6Å; Y193-V210 HydrophobicContact CE1-CB 4.46Å; Y193-V210 HydrophobicContact CE1-CG1 3.9Å; Y193-V210 HydrophobicContact CE1-CG2 3.7Å
194	G	98.7	Very high	97.6	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	170.1	179.4	0	0	0	0	0	111.6	A164 P208 I209	A164-G194 WeakPolarHBondContact O-CA 3.46Å; G194-P208 WeakPolarHBondContact O-CA 3.47Å; G194-I209 PolarHBondContact N-O 3.16Å; G194-I209 PolarHBondContact O-N 2.98Å
195	Q	98.7	Very high	97.8	Very high	85 Å²	85	51.1 Å²	51.1	40%	0.397	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.2	174.7	-67.1	-170.7	-91.3	0	0	109.9	L136 A164 S197 P208	L136-Q195 HydrophobicContact CD2-CG 3.83Å; A164-Q195 PolarHBondContact O-N 3.41Å; Q195-S197 PolarHBondContact O-N 3.21Å; Q195-S197 PolarHBondContact O-OG 2.99Å; Q195-P208 HydrophobicContact CG-CB 4.47Å
196	C	98.7	Very high	97.9	Very high	10 Å²	10	53.2 Å²	53.2	7%	0.068	30%	0.303	C	S	.	.			trans	-56.2	129.9	170.9	-175.7	0	0	0	0	110.4	W106 S162 E198 H204 M207	W106-C196 HydrophobicContact CZ2-CB 4.27Å; S162-C196 WeakPolarHBondContact O-CA 3.43Å; C196-E198 PolarHBondContact SG-O 3.01Å; C196-E198 VanDerWaalsContact SG-O 3.32Å; C196-H204 PolarHBondContact O-CE1 3.47Å; C196-M207 HydrophobicContact CB-CE 4.23Å; C196-M207 HydrophobicContact CB-CG 3.63Å; C196-M207 HydrophobicContact CB-SD 3.98Å
197	S	98.5	Very high	98	Very high	44 Å²	44	53.3 Å²	53.3	31%	0.308	30%	0.304	S	S	.	.			trans	-115.4	21.6	-172.3	-66.5	0	0	0	0	113.9	S162 A164 K171 Q195	S162-S197 PolarHBondContact O-N 3Å; A164-S197 VanDerWaalsContact CB-OG 3.22Å; A164-S197 WeakPolarHBondContact CB-OG 3.24Å; K171-S197 PolarHBondContact NZ-O 3.47Å; Q195-S197 PolarHBondContact O-N 3.21Å; Q195-S197 PolarHBondContact O-OG 2.99Å
198	E	98.6	Very high	98.3	Very high	64 Å²	64	50 Å²	50	30%	0.299	29%	0.286	S	S	.	.	S	Bend	trans	-143.4	138.8	175.9	-175.6	55.3	-109.1	0	0	110.4	L160 C196 C200 H204	L160-E198 HydrophobicContact CB-CG 3.79Å; C196-E198 PolarHBondContact SG-O 3.01Å; C196-E198 VanDerWaalsContact SG-O 3.32Å; E198-C200 PolarHBondContact O-N 3.46Å; E198-H204 PolarHBondContact O-CE1 2.94Å; E198-H204 PolarHBondContact O-ND1 3.29Å
199	I	98.1	Very high	98.4	Very high	131 Å²	131	45.3 Å²	45.3	67%	0.672	27%	0.268	S	S	*	.			trans	-68.2	115.2	-170.9	-173.5	172.4	0	0	0	111.5
200	C	97.9	Very high	98.5	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.027	24%	0.244	C	C	.	.			trans	-122.9	15.7	-173.2	64.5	0	0	0	0	114.9	Q103 W104 V159 L160 H161 E198 H204 M207	Q103-C200 PolarHBondContact NE2-O 3.24Å; W104-C200 PolarHBondContact NE1-O 2.97Å; V159-C200 HydrophobicContact CG2-CB 3.84Å; L160-C200 WeakPolarHBondContact O-CB 3.47Å; H161-C200 WeakPolarHBondContact CE1-CB 3.44Å; H161-C200 VanDerWaalsContact ND1-CB 3.26Å; H161-C200 WeakPolarHBondContact ND1-CB 3.48Å; H161-C200 PolarHBondContact ND1-SG 3.47Å; E198-C200 PolarHBondContact O-N 3.46Å; C200-H204 VanDerWaalsContact SG-CA 3.55Å; C200-M207 PolarHBondContact SG-SD 3.41Å
201	G	98.1	Very high	98.5	Very high	41 Å²	41	40.1 Å²	40.1	42%	0.423	23%	0.229	S	C	.	.	S	Bend	trans	110.1	-154.9	174.4	0	0	0	0	0	114.5	N203 H204	G201-N203 VanDerWaalsContact C-N 3.34Å; G201-N203 PolarHBondContact O-N 2.89Å; G201-H204 VanDerWaalsContact O-CB 3.28Å; G201-H204 WeakPolarHBondContact O-CB 3.19Å; G201-H204 PolarHBondContact O-N 3.4Å; G201-H204 VanDerWaalsContact O-N 3.11Å
202	S	97.8	Very high	98.5	Very high	102 Å²	102	40.2 Å²	40.2	71%	0.713	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.9	-165.5	-54.2	0	0	0	0	114.7
203	N	98	Very high	98.5	Very high	65 Å²	65	39.6 Å²	39.6	35%	0.348	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	29.3	-178.5	-64.5	-25.1	0	0	0	112.8	W104 G201 S205 F206	W104-N203 HydrophobicContact CB-CB 3.69Å; W104-N203 HydrophobicContact CD2-CB 3.52Å; W104-N203 HydrophobicContact CE3-CB 3.9Å; W104-N203 HydrophobicContact CG-CB 3.44Å; W104-N203 VanDerWaalsContact CG-CB 3.44Å; G201-N203 VanDerWaalsContact C-N 3.34Å; G201-N203 PolarHBondContact O-N 2.89Å; N203-S205 PolarHBondContact O-N 2.98Å; N203-S205 VanDerWaalsContact O-N 3.14Å; N203-F206 HydrophobicContact CB-CB 4.15Å; N203-F206 HydrophobicContact CB-CD2 3.85Å; N203-F206 PolarHBondContact O-N 3.46Å
204	H	98.4	Very high	98.5	Very high	51 Å²	51	39.5 Å²	39.5	24%	0.236	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-49.5	-40.2	176.3	169.3	51.2	0	0	0	113.2	C196 E198 C200 G201 F206	C196-H204 PolarHBondContact O-CE1 3.47Å; E198-H204 PolarHBondContact O-CE1 2.94Å; E198-H204 PolarHBondContact O-ND1 3.29Å; C200-H204 VanDerWaalsContact SG-CA 3.55Å; G201-H204 VanDerWaalsContact O-CB 3.28Å; G201-H204 WeakPolarHBondContact O-CB 3.19Å; G201-H204 PolarHBondContact O-N 3.4Å; G201-H204 VanDerWaalsContact O-N 3.11Å; H204-F206 PolarHBondContact O-N 2.93Å
205	S	98.1	Very high	98.4	Very high	69 Å²	69	42.2 Å²	42.2	48%	0.483	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-75.5	-2.4	178.9	-52.1	0	0	0	0	115	N203	N203-S205 PolarHBondContact O-N 2.98Å; N203-S205 VanDerWaalsContact O-N 3.14Å
206	F	98.6	Very high	98.4	Very high	75 Å²	75	41.9 Å²	41.9	33%	0.329	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-124.8	27.3	-166.5	-53.7	-55.3	0	0	0	113.6	M122 L135 N203 H204	M122-F206 WeakPolarHBondContact CB-O 3.27Å; M122-F206 HydrophobicContact CE-CB 3.68Å; M122-F206 HydrophobicContact CE-CD1 3.79Å; M122-F206 HydrophobicContact CE-CG 4Å; M122-F206 HydrophobicContact SD-CB 3.78Å; M122-F206 HydrophobicContact SD-CD1 3.88Å; M122-F206 HydrophobicContact SD-CG 4.3Å; L135-F206 HydrophobicContact CD1-CD1 4.39Å; L135-F206 HydrophobicContact CD1-CE1 4.03Å; L135-F206 HydrophobicContact CD2-CD1 3.81Å; L135-F206 HydrophobicContact CD2-CE1 3.76Å; N203-F206 HydrophobicContact CB-CB 4.15Å; N203-F206 HydrophobicContact CB-CD2 3.85Å; N203-F206 PolarHBondContact O-N 3.46Å; H204-F206 PolarHBondContact O-N 2.93Å
207	M	98.6	Very high	98.4	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.272	C	S	.	.			trans	-127.8	70.6	174	54.4	-179.3	-63.7	0	0	111	H102 W104 W106 H161 C196 C200	H102-M207 WeakPolarHBondContact O-CE 3.33Å; W104-M207 HydrophobicContact CB-CB 4.47Å; W104-M207 HydrophobicContact CB-SD 4.25Å; W106-M207 HydrophobicContact CD2-CE 4.17Å; W106-M207 HydrophobicContact CG-CE 4.42Å; W106-M207 HydrophobicContact CZ2-CE 3.89Å; W106-M207 PolarHBondContact NE1-O 2.94Å; H161-M207 WeakPolarHBondContact ND1-CE 3.41Å; C196-M207 HydrophobicContact CB-CE 4.23Å; C196-M207 HydrophobicContact CB-CG 3.63Å; C196-M207 HydrophobicContact CB-SD 3.98Å; C200-M207 PolarHBondContact SG-SD 3.41Å
208	P	98.8	Very high	98.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	169.8	-178.6	32.9	-33.3	0	0	0	111.9	M122 L135 V138 G194 Q195	M122-P208 HydrophobicContact CB-CG 4Å; M122-P208 HydrophobicContact CG-CG 3.91Å; L135-P208 WeakPolarHBondContact O-CB 3.3Å; L135-P208 WeakPolarHBondContact O-CG 3.5Å; V138-P208 HydrophobicContact CG1-CB 4.49Å; V138-P208 HydrophobicContact CG1-CG 3.73Å; G194-P208 WeakPolarHBondContact O-CA 3.47Å; Q195-P208 HydrophobicContact CG-CB 4.47Å
209	I	98.9	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133	177.8	-63.8	155.4	0	0	0	106.9	W106 W163 V165 Y193 G194 L211	W106-I209 HydrophobicContact CG-CG1 4.37Å; W106-I209 HydrophobicContact CZ2-CD1 4.22Å; W163-I209 HydrophobicContact CB-CD1 4.39Å; W163-I209 VanDerWaalsContact CD1-CD1 3.4Å; W163-I209 HydrophobicContact CD2-CD1 4.21Å; W163-I209 HydrophobicContact CG-CD1 3.77Å; W163-I209 HydrophobicContact CZ2-CG2 3.91Å; V165-I209 HydrophobicContact CG2-CG2 3.82Å; Y193-I209 CarbonylContact C-O 3.52Å; Y193-I209 WeakPolarHBondContact CA-O 3.47Å; G194-I209 PolarHBondContact N-O 3.16Å; G194-I209 PolarHBondContact O-N 2.98Å; I209-L211 HydrophobicContact CG2-CD2 4.44Å
210	V	98.9	Very high	98.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.1	172.9	-173.1	0	0	0	0	109.1	L136 V138 R141 V142 L191 Y193	L136-V210 WeakPolarHBondContact O-CG2 3.37Å; V138-V210 HydrophobicContact CB-CG2 4.4Å; V138-V210 HydrophobicContact CG1-CG2 4.07Å; V138-V210 HydrophobicContact CG2-CB 3.73Å; V138-V210 HydrophobicContact CG2-CG2 3.66Å; R141-V210 HydrophobicContact CB-CG1 4.41Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.81Å; V142-V210 PolarHBondContact N-O 2.76Å; L191-V210 HydrophobicContact CD2-CG1 4.39Å; Y193-V210 HydrophobicContact CD1-CB 4.45Å; Y193-V210 HydrophobicContact CD1-CG1 4.21Å; Y193-V210 HydrophobicContact CD1-CG2 3.6Å; Y193-V210 HydrophobicContact CE1-CB 4.46Å; Y193-V210 HydrophobicContact CE1-CG1 3.9Å; Y193-V210 HydrophobicContact CE1-CG2 3.7Å
211	L	98.8	Very high	98.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.4	169.8	-58.4	-176.9	0	0	0	109.6	V142 L144 W163 V165 L168 L191 F192 I209	V142-L211 HydrophobicContact CB-CD2 3.57Å; V142-L211 HydrophobicContact CG1-CD2 3.72Å; V142-L211 HydrophobicContact CG2-CD2 4.12Å; V142-L211 WeakPolarHBondContact O-CA 3.45Å; L144-L211 HydrophobicContact CD1-CD1 4.45Å; L144-L211 HydrophobicContact CD1-CD2 3.92Å; W163-L211 HydrophobicContact CH2-CD1 4.08Å; W163-L211 HydrophobicContact CH2-CD2 4.13Å; W163-L211 HydrophobicContact CZ2-CD1 4.49Å; W163-L211 HydrophobicContact CZ2-CD2 3.78Å; W163-L211 HydrophobicContact CZ2-CG 4.46Å; V165-L211 HydrophobicContact CB-CD1 4.41Å; V165-L211 HydrophobicContact CG1-CD1 4.13Å; V165-L211 HydrophobicContact CG2-CD1 3.98Å; V165-L211 HydrophobicContact CG2-CG 4.21Å; L168-L211 HydrophobicContact CD1-CD1 3.36Å; L191-L211 CarbonylContact C-O 3.58Å; L191-L211 WeakPolarHBondContact CA-O 3.34Å; F192-L211 HydrophobicContact CB-CB 4.33Å; F192-L211 PolarHBondContact N-O 2.75Å; F192-L211 PolarHBondContact O-N 2.92Å; I209-L211 HydrophobicContact CG2-CD2 4.44Å
212	E	98.8	Very high	98.1	Very high	60 Å²	60	55 Å²	55	28%	0.28	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	101.7	172	-178	165.6	151	0	0	109.2	R141 V142 V143 L144 L191 V214	R141-E212 HydrophobicContact CB-CB 4.28Å; R141-E212 VanDerWaalsContact CD-OE2 3.23Å; R141-E212 WeakPolarHBondContact CD-OE2 3.42Å; R141-E212 IonicContact NH1-OE2 3.88Å; R141-E212 PolarHBondContact NH1-OE2 2.95Å; V142-E212 PolarHBondContact O-N 3.26Å; V143-E212 WeakPolarHBondContact CA-O 3.32Å; V143-E212 HydrophobicContact CG2-CB 4.28Å; L144-E212 PolarHBondContact N-O 2.74Å; L191-E212 HydrophobicContact CD2-CB 3.7Å; L191-E212 HydrophobicContact CD2-CG 3.69Å; E212-V214 HydrophobicContact CG-CG1 3.9Å
213	M	98.5	Very high	98	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.3	-179.7	-58.1	-60.4	-81.7	0	0	109.6	L144 M146 I150 P189 G190 F192	L144-M213 HydrophobicContact CB-CE 4.22Å; L144-M213 HydrophobicContact CB-SD 3.51Å; L144-M213 VanDerWaalsContact CB-SD 3.51Å; L144-M213 HydrophobicContact CD1-SD 4.06Å; L144-M213 HydrophobicContact CG-SD 4.38Å; L144-M213 WeakPolarHBondContact O-CA 3.31Å; M146-M213 HydrophobicContact CB-CB 4.28Å; I150-M213 HydrophobicContact CD1-CE 4.27Å; P189-M213 WeakPolarHBondContact CA-O 3.26Å; P189-M213 WeakPolarHBondContact CB-O 3.32Å; G190-M213 PolarHBondContact N-O 3.29Å; G190-M213 PolarHBondContact O-N 3.4Å; F192-M213 HydrophobicContact CD2-CB 4.46Å; F192-M213 HydrophobicContact CD2-CG 3.59Å; F192-M213 HydrophobicContact CE2-CB 3.96Å; F192-M213 HydrophobicContact CE2-CG 3.46Å; F192-M213 VanDerWaalsContact CE2-CG 3.46Å
214	V	98.5	Very high	97.8	Very high	20 Å²	20	51.3 Å²	51.3	12%	0.121	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.8	-176	-62.5	0	0	0	0	111.4	V143 L144 P145 M146 E212 F219	V143-V214 HydrophobicContact CG1-CG1 4.49Å; V143-V214 HydrophobicContact CG1-CG2 3.59Å; L144-V214 PolarHBondContact O-N 3.37Å; P145-V214 CarbonylContact C-O 3.55Å; P145-V214 VanDerWaalsContact CA-O 3.28Å; P145-V214 WeakPolarHBondContact CA-O 3.4Å; M146-V214 PolarHBondContact N-O 3.5Å; E212-V214 HydrophobicContact CG-CG1 3.9Å; V214-F219 HydrophobicContact CG2-CB 3.92Å
215	P	98.3	Very high	97.7	Very high	61 Å²	61	53 Å²	53	40%	0.396	28%	0.279	S	S	.	.			trans	-60.9	147.9	171.6	-20.8	32	0	0	0	111.8	M146 K217 Y218 F219	M146-P215 HydrophobicContact SD-CG 4.28Å; P215-K217 VanDerWaalsContact C-N 3.26Å; P215-K217 PolarHBondContact O-N 2.88Å; P215-K217 VanDerWaalsContact O-N 3.07Å; P215-Y218 HydrophobicContact CB-CD2 4.09Å; P215-Y218 HydrophobicContact CG-CD2 4.04Å; P215-Y218 HydrophobicContact CG-CE2 4.44Å; P215-Y218 WeakPolarHBondContact O-CB 3.5Å; P215-Y218 PolarHBondContact O-N 3.36Å; P215-F219 PolarHBondContact O-N 3.27Å
216	L	97.6	Very high	97.3	Very high	77 Å²	77	53.1 Å²	53.1	40%	0.403	27%	0.273	S	S	.	.	H	α-helix	trans	-47.7	-43.8	-174.2	-179.5	63.4	0	0	0	113.9	P145 L148 Y218 F219 E220	P145-L216 HydrophobicContact CB-CD1 4.06Å; L148-L216 HydrophobicContact CD1-CD1 4.18Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 2.91Å; L216-F219 HydrophobicContact CD1-CD1 4.06Å; L216-F219 WeakPolarHBondContact O-CB 3.33Å; L216-F219 PolarHBondContact O-N 3.28Å; L216-F219 VanDerWaalsContact O-N 3.1Å; L216-E220 HydrophobicContact CD1-CG 4.2Å; L216-E220 HydrophobicContact CG-CG 4.32Å; L216-E220 WeakPolarHBondContact O-CG 3.28Å; L216-E220 PolarHBondContact O-N 3.19Å
217	K	97.8	Very high	96.4	Very high	147 Å²	147	56 Å²	56	64%	0.639	29%	0.291	S	S	*	.	H	α-helix	trans	-57.8	-37.6	178.6	-175.8	179.1	-179.2	-179.7	0	113.4	P215 N221	P215-K217 VanDerWaalsContact C-N 3.26Å; P215-K217 PolarHBondContact O-N 2.88Å; P215-K217 VanDerWaalsContact O-N 3.07Å; K217-N221 VanDerWaalsContact O-CG 3.22Å; K217-N221 PolarHBondContact O-N 3.44Å; K217-N221 PolarHBondContact O-ND2 3.4Å
218	Y	98	Very high	96.3	Very high	156 Å²	156	58.7 Å²	58.7	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-75	-38	177.6	-72	-85.5	0	0	0	111.1	P215 L216 N221 W222	P215-Y218 HydrophobicContact CB-CD2 4.09Å; P215-Y218 HydrophobicContact CG-CD2 4.04Å; P215-Y218 HydrophobicContact CG-CE2 4.44Å; P215-Y218 WeakPolarHBondContact O-CB 3.5Å; P215-Y218 PolarHBondContact O-N 3.36Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 2.91Å; Y218-N221 PolarHBondContact O-N 3.14Å; Y218-W222 VanDerWaalsContact O-CB 3.31Å; Y218-W222 WeakPolarHBondContact O-CB 3.5Å; Y218-W222 PolarHBondContact O-N 3.4Å
219	F	97.7	Very high	96.2	Very high	15 Å²	15	61.7 Å²	61.7	7%	0.066	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-48.1	173.5	167.1	-99.6	0	0	0	111.6	L95 Y110 V143 P145 V214 P215 L216 N221 W222 S223	L95-F219 HydrophobicContact CD1-CZ 4.21Å; L95-F219 HydrophobicContact CD2-CE1 4.19Å; L95-F219 HydrophobicContact CD2-CE2 4.08Å; L95-F219 HydrophobicContact CD2-CZ 3.56Å; Y110-F219 HydrophobicContact CD1-CE2 4.18Å; Y110-F219 HydrophobicContact CD1-CZ 4.19Å; Y110-F219 AromaticContact CE1-CE2 3.8Å; Y110-F219 HydrophobicContact CE1-CE2 3.8Å; Y110-F219 HydrophobicContact CE1-CZ 4.23Å; V143-F219 HydrophobicContact CG1-CD2 4.35Å; V143-F219 WeakPolarHBondContact O-CE2 3.49Å; P145-F219 HydrophobicContact CB-CB 4.33Å; P145-F219 HydrophobicContact CB-CD1 4.42Å; P145-F219 HydrophobicContact CB-CG 4.32Å; P145-F219 HydrophobicContact CG-CD1 4.28Å; P145-F219 HydrophobicContact CG-CG 4.36Å; V214-F219 HydrophobicContact CG2-CB 3.92Å; P215-F219 PolarHBondContact O-N 3.27Å; L216-F219 HydrophobicContact CD1-CD1 4.06Å; L216-F219 WeakPolarHBondContact O-CB 3.33Å; L216-F219 PolarHBondContact O-N 3.28Å; L216-F219 VanDerWaalsContact O-N 3.1Å; F219-N221 PolarHBondContact O-N 2.99Å; F219-W222 AromaticContact CD2-CE3 3.95Å; F219-W222 HydrophobicContact CD2-CE3 3.95Å; F219-W222 HydrophobicContact CD2-CZ3 4.1Å; F219-W222 HydrophobicContact CE2-CE3 4.05Å; F219-W222 AromaticContact CE2-CZ3 3.77Å; F219-W222 HydrophobicContact CE2-CZ3 3.77Å; F219-W222 PolarHBondContact O-N 3.41Å; F219-S223 WeakPolarHBondContact O-CB 3.42Å; F219-S223 PolarHBondContact O-N 3.46Å
220	E	96.1	Very high	96.1	Very high	106 Å²	106	65.2 Å²	65.2	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-45	178.5	-70.3	170.8	165.9	0	0	111.9	L216 S223 A224	L216-E220 HydrophobicContact CD1-CG 4.2Å; L216-E220 HydrophobicContact CG-CG 4.32Å; L216-E220 WeakPolarHBondContact O-CG 3.28Å; L216-E220 PolarHBondContact O-N 3.19Å; E220-S223 PolarHBondContact O-N 3.42Å; E220-A224 WeakPolarHBondContact O-CB 3.29Å; E220-A224 PolarHBondContact O-N 2.92Å
221	N	97	Very high	95.9	Very high	97 Å²	97	69 Å²	69	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-41.5	176.8	-71.7	-22.5	0	0	0	112.2	K217 Y218 F219 S225	K217-N221 VanDerWaalsContact O-CG 3.22Å; K217-N221 PolarHBondContact O-N 3.44Å; K217-N221 PolarHBondContact O-ND2 3.4Å; Y218-N221 PolarHBondContact O-N 3.14Å; F219-N221 PolarHBondContact O-N 2.99Å; N221-S225 PolarHBondContact O-N 3.18Å; N221-S225 VanDerWaalsContact O-N 3.12Å
222	W	97.5	Very high	95.7	Very high	48 Å²	48	73.3 Å²	73.3	18%	0.182	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-48.4	176	164.7	81.3	0	0	0	110.8	Y110 L116 F118 V143 Y218 F219 A224 S225 M226	Y110-W222 HydrophobicContact CE1-CH2 4.27Å; Y110-W222 HydrophobicContact CE1-CZ3 4.11Å; Y110-W222 AromaticContact CE2-CH2 3.95Å; Y110-W222 HydrophobicContact CE2-CH2 3.95Å; Y110-W222 AromaticContact CZ-CH2 3.79Å; L116-W222 HydrophobicContact CD2-CH2 4.12Å; L116-W222 HydrophobicContact CD2-CZ3 4.14Å; F118-W222 AromaticContact CE1-CH2 3.8Å; F118-W222 HydrophobicContact CE1-CH2 3.8Å; F118-W222 AromaticContact CE1-CZ2 3.84Å; F118-W222 HydrophobicContact CE1-CZ2 3.84Å; F118-W222 HydrophobicContact CZ-CH2 4.18Å; F118-W222 HydrophobicContact CZ-CZ2 4.07Å; V143-W222 HydrophobicContact CB-CD2 3.54Å; V143-W222 HydrophobicContact CB-CE3 3.68Å; V143-W222 HydrophobicContact CB-CG 4.13Å; V143-W222 HydrophobicContact CB-CH2 3.96Å; V143-W222 HydrophobicContact CB-CZ2 3.84Å; V143-W222 HydrophobicContact CB-CZ3 3.89Å; V143-W222 HydrophobicContact CG1-CB 4.49Å; V143-W222 HydrophobicContact CG1-CD2 3.93Å; V143-W222 HydrophobicContact CG1-CE3 4.02Å; V143-W222 HydrophobicContact CG1-CG 4.13Å; V143-W222 HydrophobicContact CG2-CD2 3.75Å; V143-W222 VanDerWaalsContact CG2-CE2 3.44Å; V143-W222 HydrophobicContact CG2-CE3 4.39Å; V143-W222 HydrophobicContact CG2-CG 4.04Å; V143-W222 HydrophobicContact CG2-CH2 4.45Å; V143-W222 HydrophobicContact CG2-CZ2 3.82Å; Y218-W222 VanDerWaalsContact O-CB 3.31Å; Y218-W222 WeakPolarHBondContact O-CB 3.5Å; Y218-W222 PolarHBondContact O-N 3.4Å; F219-W222 AromaticContact CD2-CE3 3.95Å; F219-W222 HydrophobicContact CD2-CE3 3.95Å; F219-W222 HydrophobicContact CD2-CZ3 4.1Å; F219-W222 HydrophobicContact CE2-CE3 4.05Å; F219-W222 AromaticContact CE2-CZ3 3.77Å; F219-W222 HydrophobicContact CE2-CZ3 3.77Å; F219-W222 PolarHBondContact O-N 3.41Å; W222-A224 VanDerWaalsContact C-N 3.28Å; W222-A224 PolarHBondContact O-N 3.33Å; W222-S225 PolarHBondContact O-N 3.23Å; W222-S225 PolarHBondContact O-OG 2.86Å; W222-M226 HydrophobicContact CD2-CG 4.37Å; W222-M226 HydrophobicContact CZ2-CG 4.15Å; W222-M226 WeakPolarHBondContact O-CG 3.27Å; W222-M226 PolarHBondContact O-N 2.7Å; W222-M226 VanDerWaalsContact O-N 3.16Å
223	S	95.5	Very high	95.5	Very high	25 Å²	25	74.2 Å²	74.2	18%	0.175	39%	0.387	C	S	.	.	H	α-helix	trans	-58.1	-43.3	179.4	-173.2	0	0	0	0	110.9	F219 E220 S225 M226 I227	F219-S223 WeakPolarHBondContact O-CB 3.42Å; F219-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-N 3.42Å; S223-S225 VanDerWaalsContact C-N 3.29Å; S223-S225 PolarHBondContact O-N 3.27Å; S223-M226 PolarHBondContact O-N 2.75Å; S223-I227 WeakPolarHBondContact O-CD1 3.39Å; S223-I227 WeakPolarHBondContact O-CG1 3.11Å
224	A	94.4	Very high	95.3	Very high	66 Å²	66	79.4 Å²	79.4	55%	0.545	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-25.8	176.9	0	0	0	0	0	113.6	E220 W222	E220-A224 WeakPolarHBondContact O-CB 3.29Å; E220-A224 PolarHBondContact O-N 2.92Å; W222-A224 VanDerWaalsContact C-N 3.28Å; W222-A224 PolarHBondContact O-N 3.33Å
225	S	94.9	Very high	95	Very high	85 Å²	85	83.9 Å²	83.9	59%	0.594	44%	0.437	S	S	*	.	H	α-helix	trans	-83.7	-15.9	178.6	71.2	0	0	0	0	114.3	N221 W222 S223	N221-S225 PolarHBondContact O-N 3.18Å; N221-S225 VanDerWaalsContact O-N 3.12Å; W222-S225 PolarHBondContact O-N 3.23Å; W222-S225 PolarHBondContact O-OG 2.86Å; S223-S225 VanDerWaalsContact C-N 3.29Å; S223-S225 PolarHBondContact O-N 3.27Å
226	M	90.1	Very high	94.8	Very high	72 Å²	72	85.8 Å²	85.8	36%	0.355	44%	0.44	S	S	.	.			trans	-93.3	-7.5	179.8	-70.5	-70.5	-65.5	0	0	113.1	L116 F118 W222 S223	L116-M226 HydrophobicContact CD1-CB 3.4Å; L116-M226 HydrophobicContact CD1-CG 4.48Å; L116-M226 HydrophobicContact CD2-CB 4.2Å; L116-M226 HydrophobicContact CG-CB 4.47Å; F118-M226 HydrophobicContact CB-CE 4.25Å; F118-M226 HydrophobicContact CD1-CE 4.06Å; F118-M226 HydrophobicContact CG-CE 4.22Å; W222-M226 HydrophobicContact CD2-CG 4.37Å; W222-M226 HydrophobicContact CZ2-CG 4.15Å; W222-M226 WeakPolarHBondContact O-CG 3.27Å; W222-M226 PolarHBondContact O-N 2.7Å; W222-M226 VanDerWaalsContact O-N 3.16Å; S223-M226 PolarHBondContact O-N 2.75Å
227	I	80.9	Confident	94.5	Very high	136 Å²	136	86.6 Å²	86.6	70%	0.697	44%	0.444	S	S	*	.			trans	-91.9	0	172.7	-60.1	161.7	0	0	0	108.5	E114 L116 S223	E114-I227 HydrophobicContact CB-CD1 3.59Å; E114-I227 HydrophobicContact CB-CG1 4.33Å; E114-I227 HydrophobicContact CG-CD1 3.81Å; L116-I227 HydrophobicContact CB-CG1 4.35Å; S223-I227 WeakPolarHBondContact O-CD1 3.39Å; S223-I227 WeakPolarHBondContact O-CG1 3.11Å

Retrieved 227 of 227 residues in 44.9 ms (Link to these results)

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