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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 A0A088BCF8, Species DROME (Drosophila melanogaster, Fruit fly), Gene COII, Length 208 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	88.9	Confident	92.1	Very high	84 Å²	84	103.1 Å²	103.1	41%	0.414	57%	0.574	S	S	.	*				0	159.1	0	67.7	177.7	-173.4	0	0	109.1	T3 F133 Y193	M1-T3 PolarHBondContact O-N 3.23Å; M1-F133 HydrophobicContact CE-CD1 4.15Å; M1-F133 HydrophobicContact CE-CE1 3.37Å; M1-F133 HydrophobicContact CE-CE2 4.18Å; M1-F133 HydrophobicContact CE-CZ 3.38Å; M1-F133 HydrophobicContact SD-CD1 3.93Å; M1-F133 HydrophobicContact SD-CD2 4.19Å; M1-F133 HydrophobicContact SD-CE1 3.71Å; M1-F133 HydrophobicContact SD-CE2 3.95Å; M1-F133 HydrophobicContact SD-CG 4.18Å; M1-F133 HydrophobicContact SD-CZ 3.71Å; M1-Y193 HydrophobicContact CB-CD2 3.91Å
2	S	89.2	Confident	92.4	Very high	75 Å²	75	95.8 Å²	95.8	52%	0.524	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-65.2	130.8	173.6	49.2	0	0	0	0	111
3	T	91.5	Very high	92.7	Very high	90 Å²	90	88.5 Å²	88.5	55%	0.552	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-90.7	161.6	172.6	51.8	0	0	0	0	110.9	M1 A5 N6	M1-T3 PolarHBondContact O-N 3.23Å; T3-A5 PolarHBondContact O-N 3.03Å; T3-N6 WeakPolarHBondContact O-CB 3.4Å; T3-N6 PolarHBondContact O-N 3.48Å
4	W	90	Very high	92.9	Very high	255 Å²	255	82.2 Å²	82.2	97%	0.966	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	135.8	176.3	-63.5	94.1	0	0	0	111.1	N6	W4-N6 PolarHBondContact O-N 2.89Å
5	A	93	Very high	93	Very high	100 Å²	100	80.3 Å²	80.3	83%	0.826	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	25.7	-178.7	0	0	0	0	0	114.6	T3 L7	T3-A5 PolarHBondContact O-N 3.03Å; A5-L7 PolarHBondContact O-N 3.49Å
6	N	92.6	Very high	93	Very high	72 Å²	72	77.9 Å²	77.9	39%	0.385	44%	0.437	S	S	.	.			trans	-67.2	129.1	172.6	-168.9	19.3	0	0	0	110.7	T3 W4 G8	T3-N6 WeakPolarHBondContact O-CB 3.4Å; T3-N6 PolarHBondContact O-N 3.48Å; W4-N6 PolarHBondContact O-N 2.89Å; N6-G8 PolarHBondContact ND2-O 2.95Å; N6-G8 VanDerWaalsContact ND2-O 3.14Å; N6-G8 PolarHBondContact OD1-N 3.12Å
7	L	91.8	Very high	93.2	Very high	176 Å²	176	74.2 Å²	74.2	92%	0.921	42%	0.416	S	S	*	.			trans	-100	-20.4	177.8	-63.6	175.4	0	0	0	112.7	A5	A5-L7 PolarHBondContact O-N 3.49Å
8	G	92.5	Very high	93.3	Very high	49 Å²	49	74.4 Å²	74.4	51%	0.505	41%	0.413	S	S	.	.	S	Bend	trans	-102.7	-172.1	-176.4	0	0	0	0	0	113.5	N6	N6-G8 PolarHBondContact ND2-O 2.95Å; N6-G8 VanDerWaalsContact ND2-O 3.14Å; N6-G8 PolarHBondContact OD1-N 3.12Å
9	L	94.5	Very high	93.5	Very high	77 Å²	77	75.1 Å²	75.1	40%	0.403	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-68.3	162	169.1	-63.8	172.3	0	0	0	110.6	M17 I21 H24	L9-M17 HydrophobicContact CB-CE 4.08Å; L9-M17 HydrophobicContact CD1-CE 4.16Å; L9-I21 HydrophobicContact CB-CG1 4.31Å; L9-I21 HydrophobicContact CD1-CG1 3.79Å; L9-H24 HydrophobicContact CD1-CB 4.16Å
10	Q	94.7	Very high	93.6	Very high	32 Å²	32	73.8 Å²	73.8	15%	0.15	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-69.4	150	171.8	-63.1	-171.6	22.8	0	0	110.3	S12	Q10-S12 PolarHBondContact O-N 3.49Å
11	D	94.8	Very high	93.8	Very high	124 Å²	124	72.1 Å²	72.1	66%	0.663	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-55.5	127.1	173.9	-67.3	-15.8	0	0	0	111.2	R188	D11-R188 PolarHBondContact O-NH2 2.95Å
12	S	95.8	Very high	94.2	Very high	16 Å²	16	74.4 Å²	74.4	11%	0.112	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-60.1	149.6	-178.8	-174.4	0	0	0	0	112.8	Q10 S14 M17 E18 R188	Q10-S12 PolarHBondContact O-N 3.49Å; S12-S14 PolarHBondContact OG-N 2.77Å; S12-S14 PolarHBondContact OG-O 3.29Å; S12-M17 VanDerWaalsContact OG-CB 3.29Å; S12-M17 WeakPolarHBondContact OG-CB 3.34Å; S12-E18 WeakPolarHBondContact OG-CG 3.18Å; S12-E18 PolarHBondContact OG-N 2.75Å; S12-R188 PolarHBondContact O-NE 3.01Å; S12-R188 VanDerWaalsContact O-NE 3.13Å; S12-R188 PolarHBondContact O-NH2 2.96Å
13	A	96.4	Very high	94.6	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.008	39%	0.389	C	S	.	.	S	Bend	trans	-128.5	5.7	167.7	0	0	0	0	0	112.7	A167 L168 I186 N187 R188 F192	A13-A167 HydrophobicContact CB-CB 4.35Å; A13-A167 PolarHBondContact N-O 2.87Å; A13-L168 HydrophobicContact CB-CD2 3.87Å; A13-I186 WeakPolarHBondContact O-CA 3.5Å; A13-N187 PolarHBondContact O-N 3.42Å; A13-R188 HydrophobicContact CB-CG 4.31Å; A13-F192 HydrophobicContact CB-CD1 3.83Å; A13-F192 HydrophobicContact CB-CE1 3.22Å; A13-F192 HydrophobicContact CB-CE2 4.09Å; A13-F192 HydrophobicContact CB-CG 4.49Å; A13-F192 HydrophobicContact CB-CZ 3.37Å
14	S	95.4	Very high	94.9	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.38	C	S	.	.	S	Bend	trans	-134.5	150.7	176.3	75.5	0	0	0	0	111.2	S12 L16 M17 E18 L168 F185	S12-S14 PolarHBondContact OG-N 2.77Å; S12-S14 PolarHBondContact OG-O 3.29Å; S14-L16 PolarHBondContact O-N 3.15Å; S14-M17 PolarHBondContact O-N 2.96Å; S14-M17 VanDerWaalsContact OG-CB 3.26Å; S14-M17 WeakPolarHBondContact OG-CB 3.41Å; S14-M17 PolarHBondContact OG-N 2.86Å; S14-E18 PolarHBondContact O-N 3.4Å; S14-L168 PolarHBondContact OG-O 3.45Å; S14-F185 WeakPolarHBondContact CA-O 3.48Å; S14-F185 WeakPolarHBondContact CB-O 3.48Å
15	P	94.1	Very high	95.2	Very high	54 Å²	54	64.5 Å²	64.5	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-34.6	175.4	-21.1	32.1	0	0	0	112.1	E18 Q19 F185 N187	P15-E18 WeakPolarHBondContact O-CB 3.31Å; P15-E18 PolarHBondContact O-N 3.37Å; P15-Q19 WeakPolarHBondContact O-CG 3.38Å; P15-Q19 PolarHBondContact O-N 3.03Å; P15-Q19 VanDerWaalsContact O-N 3.14Å; P15-F185 HydrophobicContact CG-CB 4.46Å; P15-F185 HydrophobicContact CG-CD1 4.08Å; P15-N187 WeakPolarHBondContact CD-ND2 3.43Å; P15-N187 WeakPolarHBondContact CD-OD1 3.49Å; P15-N187 WeakPolarHBondContact CG-OD1 3.19Å
16	L	93.1	Very high	95.4	Very high	41 Å²	41	63.1 Å²	63.1	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-42.5	179.9	-69.1	168.1	0	0	0	111.8	S14 E18 Q19 L20 L87	S14-L16 PolarHBondContact O-N 3.15Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.48Å; L16-Q19 PolarHBondContact O-N 2.73Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.17Å; L16-L87 HydrophobicContact CB-CD2 3.99Å; L16-L87 HydrophobicContact CD1-CD2 3.82Å; L16-L87 HydrophobicContact CD2-CD2 3.75Å; L16-L87 HydrophobicContact CD2-CG 4.31Å; L16-L87 HydrophobicContact CG-CD2 4.04Å
17	M	95.8	Very high	95.7	Very high	15 Å²	15	60.5 Å²	60.5	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-31.7	176.4	-178.4	61.7	-175.8	0	0	112	L9 S12 S14 L20 I21	L9-M17 HydrophobicContact CB-CE 4.08Å; L9-M17 HydrophobicContact CD1-CE 4.16Å; S12-M17 VanDerWaalsContact OG-CB 3.29Å; S12-M17 WeakPolarHBondContact OG-CB 3.34Å; S14-M17 PolarHBondContact O-N 2.96Å; S14-M17 VanDerWaalsContact OG-CB 3.26Å; S14-M17 WeakPolarHBondContact OG-CB 3.41Å; S14-M17 PolarHBondContact OG-N 2.86Å; M17-L20 PolarHBondContact O-N 2.76Å; M17-L20 HydrophobicContact SD-CB 4.21Å; M17-L20 HydrophobicContact SD-CD1 4.17Å; M17-I21 HydrophobicContact CE-CD1 4.24Å; M17-I21 HydrophobicContact CE-CG1 4.03Å; M17-I21 HydrophobicContact CG-CD1 4.35Å; M17-I21 VanDerWaalsContact O-CG1 3.26Å; M17-I21 WeakPolarHBondContact O-CG1 3.14Å; M17-I21 PolarHBondContact O-N 3.1Å
18	E	96	Very high	95.9	Very high	79 Å²	79	56 Å²	56	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-45.2	170.5	-67.4	172.2	-160.7	0	0	111.4	S12 S14 P15 L16 L20 I21 F22 N187	S12-E18 WeakPolarHBondContact OG-CG 3.18Å; S12-E18 PolarHBondContact OG-N 2.75Å; S14-E18 PolarHBondContact O-N 3.4Å; P15-E18 WeakPolarHBondContact O-CB 3.31Å; P15-E18 PolarHBondContact O-N 3.37Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.48Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 2.98Å; E18-I21 PolarHBondContact O-N 2.9Å; E18-F22 HydrophobicContact CB-CE2 4.4Å; E18-F22 WeakPolarHBondContact O-CD2 3.41Å; E18-F22 PolarHBondContact O-N 3.2Å; E18-N187 PolarHBondContact OE1-ND2 3.4Å
19	Q	96.1	Very high	96.2	Very high	86 Å²	86	59.5 Å²	59.5	40%	0.402	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-36.3	175.9	-64	-57.1	-56.7	0	0	112.4	P15 L16 F22 F23 L83	P15-Q19 WeakPolarHBondContact O-CG 3.38Å; P15-Q19 PolarHBondContact O-N 3.03Å; P15-Q19 VanDerWaalsContact O-N 3.14Å; L16-Q19 PolarHBondContact O-N 2.73Å; Q19-F22 PolarHBondContact O-N 2.98Å; Q19-F23 WeakPolarHBondContact O-CB 3.39Å; Q19-F23 PolarHBondContact O-N 3.44Å; Q19-L83 HydrophobicContact CB-CD1 3.53Å; Q19-L83 HydrophobicContact CB-CD2 4.41Å; Q19-L83 HydrophobicContact CG-CD1 4.39Å
20	L	96.5	Very high	96.3	Very high	49 Å²	49	57 Å²	57	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-40.7	173.3	-74.4	166.7	0	0	0	111.8	L16 M17 E18 F23 H24 L83	L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.17Å; M17-L20 PolarHBondContact O-N 2.76Å; M17-L20 HydrophobicContact SD-CB 4.21Å; M17-L20 HydrophobicContact SD-CD1 4.17Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 2.98Å; L20-F23 PolarHBondContact O-N 3.42Å; L20-H24 WeakPolarHBondContact O-CB 3.31Å; L20-H24 PolarHBondContact O-N 2.58Å; L20-L83 HydrophobicContact CB-CD2 4.49Å; L20-L83 HydrophobicContact CD2-CD2 3.48Å; L20-L83 VanDerWaalsContact CD2-CD2 3.48Å; L20-L83 HydrophobicContact CD2-CG 4.35Å; L20-L83 HydrophobicContact CG-CD2 3.89Å
21	I	97.1	Very high	96.4	Very high	40 Å²	40	60.1 Å²	60.1	21%	0.205	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-46.4	175.1	-66.7	163.7	0	0	0	110.4	L9 M17 E18 F23 H24 D25	L9-I21 HydrophobicContact CB-CG1 4.31Å; L9-I21 HydrophobicContact CD1-CG1 3.79Å; M17-I21 HydrophobicContact CE-CD1 4.24Å; M17-I21 HydrophobicContact CE-CG1 4.03Å; M17-I21 HydrophobicContact CG-CD1 4.35Å; M17-I21 VanDerWaalsContact O-CG1 3.26Å; M17-I21 WeakPolarHBondContact O-CG1 3.14Å; M17-I21 PolarHBondContact O-N 3.1Å; E18-I21 PolarHBondContact O-N 2.9Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 3.4Å; I21-H24 WeakPolarHBondContact O-CB 3.38Å; I21-H24 PolarHBondContact O-N 3.21Å; I21-D25 PolarHBondContact O-N 3.1Å
22	F	97.1	Very high	96.6	Very high	132 Å²	132	57.7 Å²	57.7	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-61.3	-40.2	176.6	-71.1	-56.6	0	0	0	112.7	E18 Q19 D25 H26	E18-F22 HydrophobicContact CB-CE2 4.4Å; E18-F22 WeakPolarHBondContact O-CD2 3.41Å; E18-F22 PolarHBondContact O-N 3.2Å; Q19-F22 PolarHBondContact O-N 2.98Å; F22-D25 PolarHBondContact O-N 3.19Å; F22-H26 WeakPolarHBondContact O-CB 3.44Å; F22-H26 PolarHBondContact O-N 3.35Å
23	F	97.8	Very high	96.6	Very high	51 Å²	51	63.6 Å²	63.6	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-43	175.5	172.8	-111.2	0	0	0	111.9	Q19 L20 I21 D25 H26 A27 I76 P79 L83	Q19-F23 WeakPolarHBondContact O-CB 3.39Å; Q19-F23 PolarHBondContact O-N 3.44Å; L20-F23 PolarHBondContact O-N 3.42Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 3.4Å; F23-D25 VanDerWaalsContact C-N 3.34Å; F23-D25 PolarHBondContact O-N 3.32Å; F23-H26 PolarHBondContact O-N 3.48Å; F23-A27 WeakPolarHBondContact O-CB 3.14Å; F23-A27 PolarHBondContact O-N 3.46Å; F23-I76 HydrophobicContact CE2-CG2 4.23Å; F23-I76 HydrophobicContact CZ-CG2 4.18Å; F23-P79 HydrophobicContact CD2-CB 4.17Å; F23-P79 HydrophobicContact CD2-CG 4.17Å; F23-P79 HydrophobicContact CE2-CG 4.2Å; F23-L83 HydrophobicContact CB-CD2 4.12Å
24	H	97.6	Very high	96.7	Very high	77 Å²	77	66.7 Å²	66.7	36%	0.356	34%	0.339	S	S	.	.	H	α-helix	trans	-56	-48.7	174.1	167	-86	0	0	0	111.1	L9 L20 I21 H26 A27 L28	L9-H24 HydrophobicContact CD1-CB 4.16Å; L20-H24 WeakPolarHBondContact O-CB 3.31Å; L20-H24 PolarHBondContact O-N 2.58Å; I21-H24 WeakPolarHBondContact O-CB 3.38Å; I21-H24 PolarHBondContact O-N 3.21Å; H24-H26 PolarHBondContact O-N 2.76Å; H24-A27 PolarHBondContact O-N 2.9Å; H24-L28 VanDerWaalsContact O-CB 3.28Å; H24-L28 WeakPolarHBondContact O-CB 3.37Å; H24-L28 PolarHBondContact O-N 3.5Å
25	D	97.1	Very high	96.8	Very high	83 Å²	83	70.9 Å²	70.9	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-38.2	-178.1	-67.9	-9.8	0	0	0	112	I21 F22 F23 L28 L29	I21-D25 PolarHBondContact O-N 3.1Å; F22-D25 PolarHBondContact O-N 3.19Å; F23-D25 VanDerWaalsContact C-N 3.34Å; F23-D25 PolarHBondContact O-N 3.32Å; D25-L28 PolarHBondContact O-N 2.63Å; D25-L29 WeakPolarHBondContact O-CB 3.25Å; D25-L29 PolarHBondContact O-N 2.96Å
26	H	97.4	Very high	97	Very high	71 Å²	71	72.8 Å²	72.8	33%	0.329	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-46.7	172.8	176	70.9	0	0	0	112	F22 F23 H24 I30 F75	F22-H26 WeakPolarHBondContact O-CB 3.44Å; F22-H26 PolarHBondContact O-N 3.35Å; F23-H26 PolarHBondContact O-N 3.48Å; H24-H26 PolarHBondContact O-N 2.76Å; H26-I30 WeakPolarHBondContact O-CG1 3.34Å; H26-I30 PolarHBondContact O-N 2.76Å; H26-F75 PolarHBondContact NE2-O 2.96Å
27	A	97.6	Very high	97.1	Very high	17 Å²	17	75.1 Å²	75.1	14%	0.14	39%	0.388	C	S	.	.	H	α-helix	trans	-65.7	-42.6	177.2	0	0	0	0	0	111.7	F23 H24 L29 I30 L31	F23-A27 WeakPolarHBondContact O-CB 3.14Å; F23-A27 PolarHBondContact O-N 3.46Å; H24-A27 PolarHBondContact O-N 2.9Å; A27-L29 PolarHBondContact O-N 3.19Å; A27-I30 PolarHBondContact O-N 3.24Å; A27-L31 WeakPolarHBondContact O-CG 3.38Å; A27-L31 PolarHBondContact O-N 2.97Å
28	L	97.3	Very high	97.2	Very high	82 Å²	82	78 Å²	78	43%	0.429	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-42.3	178.9	-176.7	63.6	0	0	0	111.4	H24 D25 I30 L31 V32	H24-L28 VanDerWaalsContact O-CB 3.28Å; H24-L28 WeakPolarHBondContact O-CB 3.37Å; H24-L28 PolarHBondContact O-N 3.5Å; D25-L28 PolarHBondContact O-N 2.63Å; L28-I30 VanDerWaalsContact C-N 3.3Å; L28-I30 PolarHBondContact O-N 3.46Å; L28-L31 PolarHBondContact O-N 2.95Å; L28-V32 HydrophobicContact CD1-CG2 4.17Å; L28-V32 HydrophobicContact CG-CG2 4.28Å; L28-V32 WeakPolarHBondContact O-CB 3.47Å; L28-V32 VanDerWaalsContact O-CG2 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.02Å; L28-V32 PolarHBondContact O-N 2.86Å
29	L	97.4	Very high	97.3	Very high	122 Å²	122	76.1 Å²	76.1	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-55.6	-46.4	175.3	177.1	66.7	0	0	0	111.5	D25 A27 V32 M33	D25-L29 WeakPolarHBondContact O-CB 3.25Å; D25-L29 PolarHBondContact O-N 2.96Å; A27-L29 PolarHBondContact O-N 3.19Å; L29-V32 PolarHBondContact O-N 2.91Å; L29-M33 WeakPolarHBondContact O-CB 3.31Å; L29-M33 PolarHBondContact O-N 3.44Å
30	I	97.5	Very high	97.3	Very high	25 Å²	25	78.4 Å²	78.4	13%	0.128	41%	0.414	C	S	.	.	H	α-helix	trans	-64.8	-44.9	178.9	-66.6	169.3	0	0	0	110.7	H26 A27 L28 M33 I34 I72 I76	H26-I30 WeakPolarHBondContact O-CG1 3.34Å; H26-I30 PolarHBondContact O-N 2.76Å; A27-I30 PolarHBondContact O-N 3.24Å; L28-I30 VanDerWaalsContact C-N 3.3Å; L28-I30 PolarHBondContact O-N 3.46Å; I30-M33 WeakPolarHBondContact O-CB 3.34Å; I30-M33 PolarHBondContact O-N 2.96Å; I30-I34 HydrophobicContact CG2-CD1 4Å; I30-I34 WeakPolarHBondContact O-CG1 3.45Å; I30-I34 PolarHBondContact O-N 3.04Å; I30-I72 HydrophobicContact CG2-CG2 3.36Å; I30-I76 HydrophobicContact CD1-CD1 4.3Å; I30-I76 HydrophobicContact CD1-CG1 3.64Å; I30-I76 HydrophobicContact CG2-CD1 4.08Å
31	L	97	Very high	97.3	Very high	97 Å²	97	80.4 Å²	80.4	51%	0.508	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-42.6	178.2	-69.8	173.7	0	0	0	112	A27 L28 M33 I34 T35	A27-L31 WeakPolarHBondContact O-CG 3.38Å; A27-L31 PolarHBondContact O-N 2.97Å; L28-L31 PolarHBondContact O-N 2.95Å; L31-M33 VanDerWaalsContact C-N 3.33Å; L31-M33 PolarHBondContact O-N 3.49Å; L31-I34 PolarHBondContact O-N 2.86Å; L31-T35 WeakPolarHBondContact O-CB 3.28Å; L31-T35 VanDerWaalsContact O-CG2 3.25Å; L31-T35 WeakPolarHBondContact O-CG2 3.37Å; L31-T35 PolarHBondContact O-N 2.98Å; L31-T35 PolarHBondContact O-OG1 3.17Å
32	V	97.8	Very high	97.2	Very high	73 Å²	73	83.3 Å²	83.3	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.1	172.1	0	0	0	0	110.5	L28 L29 I34 T35 V36	L28-V32 HydrophobicContact CD1-CG2 4.17Å; L28-V32 HydrophobicContact CG-CG2 4.28Å; L28-V32 WeakPolarHBondContact O-CB 3.47Å; L28-V32 VanDerWaalsContact O-CG2 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.02Å; L28-V32 PolarHBondContact O-N 2.86Å; L29-V32 PolarHBondContact O-N 2.91Å; V32-I34 PolarHBondContact O-N 3.38Å; V32-T35 VanDerWaalsContact CA-OG1 3.3Å; V32-T35 WeakPolarHBondContact CA-OG1 3.38Å; V32-T35 PolarHBondContact O-N 3.17Å; V32-T35 PolarHBondContact O-OG1 3.13Å; V32-V36 HydrophobicContact CG1-CG2 4.23Å; V32-V36 WeakPolarHBondContact O-CB 3.15Å; V32-V36 VanDerWaalsContact O-CG2 3.26Å; V32-V36 WeakPolarHBondContact O-CG2 2.85Å; V32-V36 PolarHBondContact O-N 3.04Å
33	M	97.1	Very high	97.1	Very high	141 Å²	141	82.8 Å²	82.8	70%	0.695	44%	0.436	S	S	*	.	H	α-helix	trans	-59.6	-45.5	176.2	-176.6	-174.7	170.3	0	0	112.1	L29 I30 L31 L37	L29-M33 WeakPolarHBondContact O-CB 3.31Å; L29-M33 PolarHBondContact O-N 3.44Å; I30-M33 WeakPolarHBondContact O-CB 3.34Å; I30-M33 PolarHBondContact O-N 2.96Å; L31-M33 VanDerWaalsContact C-N 3.33Å; L31-M33 PolarHBondContact O-N 3.49Å; M33-L37 WeakPolarHBondContact O-CB 3.42Å; M33-L37 PolarHBondContact O-N 3.41Å
34	I	96.9	Very high	97	Very high	65 Å²	65	84.5 Å²	84.5	33%	0.333	45%	0.445	S	S	.	.	H	α-helix	trans	-66.4	-46.3	178.7	-65.3	167.6	0	0	0	110.8	I30 L31 V32 V36 L37 V38 I72	I30-I34 HydrophobicContact CG2-CD1 4Å; I30-I34 WeakPolarHBondContact O-CG1 3.45Å; I30-I34 PolarHBondContact O-N 3.04Å; L31-I34 PolarHBondContact O-N 2.86Å; V32-I34 PolarHBondContact O-N 3.38Å; I34-V36 PolarHBondContact O-N 2.95Å; I34-L37 PolarHBondContact O-N 3.19Å; I34-V38 HydrophobicContact CG2-CG2 4.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.33Å; I34-V38 PolarHBondContact O-N 3.14Å; I34-I72 HydrophobicContact CD1-CD1 4.42Å; I34-I72 HydrophobicContact CD1-CG2 4.24Å
35	T	97.6	Very high	96.8	Very high	88 Å²	88	86 Å²	86	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-64.5	-39.7	-178.3	52.3	0	0	0	0	111.9	L31 V32 G39	L31-T35 WeakPolarHBondContact O-CB 3.28Å; L31-T35 VanDerWaalsContact O-CG2 3.25Å; L31-T35 WeakPolarHBondContact O-CG2 3.37Å; L31-T35 PolarHBondContact O-N 2.98Å; L31-T35 PolarHBondContact O-OG1 3.17Å; V32-T35 VanDerWaalsContact CA-OG1 3.3Å; V32-T35 WeakPolarHBondContact CA-OG1 3.38Å; V32-T35 PolarHBondContact O-N 3.17Å; V32-T35 PolarHBondContact O-OG1 3.13Å; T35-G39 WeakPolarHBondContact O-CA 2.77Å; T35-G39 PolarHBondContact O-N 3.49Å
36	V	98.2	Very high	96.6	Very high	95 Å²	95	90.3 Å²	90.3	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-65.9	-42.7	173.5	172	0	0	0	0	111.2	V32 I34 G39 Y40	V32-V36 HydrophobicContact CG1-CG2 4.23Å; V32-V36 WeakPolarHBondContact O-CB 3.15Å; V32-V36 VanDerWaalsContact O-CG2 3.26Å; V32-V36 WeakPolarHBondContact O-CG2 2.85Å; V32-V36 PolarHBondContact O-N 3.04Å; I34-V36 PolarHBondContact O-N 2.95Å; V36-G39 PolarHBondContact O-N 3.16Å; V36-Y40 VanDerWaalsContact O-CB 3.23Å; V36-Y40 WeakPolarHBondContact O-CB 3.36Å; V36-Y40 PolarHBondContact O-N 3.27Å
37	L	96.5	Very high	96.5	Very high	90 Å²	90	93.3 Å²	93.3	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-50.9	177.4	175.4	65	0	0	0	111.6	M33 I34 Y40 L41	M33-L37 WeakPolarHBondContact O-CB 3.42Å; M33-L37 PolarHBondContact O-N 3.41Å; I34-L37 PolarHBondContact O-N 3.19Å; L37-Y40 PolarHBondContact O-N 3Å; L37-L41 HydrophobicContact CD1-CD1 4.36Å; L37-L41 HydrophobicContact CG-CD1 4.33Å; L37-L41 WeakPolarHBondContact O-CG 2.98Å; L37-L41 PolarHBondContact O-N 2.69Å
38	V	97.4	Very high	96.2	Very high	74 Å²	74	96.5 Å²	96.5	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-43.8	179.1	174.2	0	0	0	0	110.5	I34 Y40 L41 M42	I34-V38 HydrophobicContact CG2-CG2 4.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.33Å; I34-V38 PolarHBondContact O-N 3.14Å; V38-Y40 VanDerWaalsContact C-N 3.32Å; V38-Y40 PolarHBondContact O-N 2.76Å; V38-L41 PolarHBondContact O-N 3.16Å; V38-M42 HydrophobicContact CG1-CG 4.29Å; V38-M42 WeakPolarHBondContact O-CB 3.5Å; V38-M42 WeakPolarHBondContact O-CG 3.43Å; V38-M42 PolarHBondContact O-N 3.01Å
39	G	97.6	Very high	96.1	Very high	40 Å²	40	99.8 Å²	99.8	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-58.2	-43.8	176.3	0	0	0	0	0	112.1	T35 V36 F43	T35-G39 WeakPolarHBondContact O-CA 2.77Å; T35-G39 PolarHBondContact O-N 3.49Å; V36-G39 PolarHBondContact O-N 3.16Å; G39-F43 VanDerWaalsContact O-CB 3.22Å; G39-F43 WeakPolarHBondContact O-CB 3.16Å; G39-F43 PolarHBondContact O-N 3.25Å
40	Y	97	Very high	95.9	Very high	135 Å²	135	103.9 Å²	103.9	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-47.8	175	173.8	-101	0	0	0	112.1	V36 L37 V38 M42 F43 M44	V36-Y40 VanDerWaalsContact O-CB 3.23Å; V36-Y40 WeakPolarHBondContact O-CB 3.36Å; V36-Y40 PolarHBondContact O-N 3.27Å; L37-Y40 PolarHBondContact O-N 3Å; V38-Y40 VanDerWaalsContact C-N 3.32Å; V38-Y40 PolarHBondContact O-N 2.76Å; Y40-M42 PolarHBondContact O-N 2.82Å; Y40-F43 PolarHBondContact O-N 3.08Å; Y40-M44 HydrophobicContact CD1-CG 4.37Å; Y40-M44 HydrophobicContact CD2-CG 4.12Å; Y40-M44 HydrophobicContact CE1-CG 3.97Å; Y40-M44 HydrophobicContact CE2-CG 3.69Å; Y40-M44 HydrophobicContact CE2-SD 3.92Å; Y40-M44 HydrophobicContact CG-CG 4.44Å; Y40-M44 VanDerWaalsContact O-CG 3.28Å; Y40-M44 WeakPolarHBondContact O-CG 3.24Å; Y40-M44 PolarHBondContact O-N 2.84Å
41	L	95.5	Very high	95.6	Very high	91 Å²	91	109.4 Å²	109.4	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-60.1	-46.2	178.4	-70.6	170.8	0	0	0	111.6	L37 V38 M44 L45	L37-L41 HydrophobicContact CD1-CD1 4.36Å; L37-L41 HydrophobicContact CG-CD1 4.33Å; L37-L41 WeakPolarHBondContact O-CG 2.98Å; L37-L41 PolarHBondContact O-N 2.69Å; V38-L41 PolarHBondContact O-N 3.16Å; L41-M44 PolarHBondContact O-N 2.81Å; L41-L45 WeakPolarHBondContact O-CG 3.19Å; L41-L45 PolarHBondContact O-N 2.79Å
42	M	95.3	Very high	95.3	Very high	101 Å²	101	110 Å²	110	50%	0.498	56%	0.562	S	S	.	*	H	α-helix	trans	-63.5	-42.1	177	-69.3	-62.5	109.8	0	0	111.8	V38 Y40 M44 L45 F46	V38-M42 HydrophobicContact CG1-CG 4.29Å; V38-M42 WeakPolarHBondContact O-CB 3.5Å; V38-M42 WeakPolarHBondContact O-CG 3.43Å; V38-M42 PolarHBondContact O-N 3.01Å; Y40-M42 PolarHBondContact O-N 2.82Å; M42-M44 PolarHBondContact O-N 2.83Å; M42-L45 HydrophobicContact CE-CD1 3.76Å; M42-L45 PolarHBondContact O-N 3.38Å; M42-L45 HydrophobicContact SD-CD1 4.31Å; M42-F46 VanDerWaalsContact O-CD2 3.23Å; M42-F46 WeakPolarHBondContact O-CD2 3.36Å
43	F	96.2	Very high	94.9	Very high	121 Å²	121	115.8 Å²	115.8	53%	0.531	58%	0.576	S	S	.	*	H	α-helix	trans	-61.4	-44.7	177.5	-176.8	-102	0	0	0	111.8	G39 Y40 L45 F46 F47	G39-F43 VanDerWaalsContact O-CB 3.22Å; G39-F43 WeakPolarHBondContact O-CB 3.16Å; G39-F43 PolarHBondContact O-N 3.25Å; Y40-F43 PolarHBondContact O-N 3.08Å; F43-L45 VanDerWaalsContact C-N 3.29Å; F43-L45 PolarHBondContact O-N 2.88Å; F43-F46 PolarHBondContact O-N 3.24Å; F43-F47 HydrophobicContact CD1-CD2 4.32Å; F43-F47 AromaticContact CD1-CE2 3.91Å; F43-F47 HydrophobicContact CD1-CE2 3.91Å; F43-F47 HydrophobicContact CD2-CE2 4.1Å; F43-F47 HydrophobicContact CE1-CD2 4.07Å; F43-F47 AromaticContact CE1-CE2 3.42Å; F43-F47 HydrophobicContact CE1-CE2 3.42Å; F43-F47 VanDerWaalsContact CE1-CE2 3.42Å; F43-F47 HydrophobicContact CE1-CZ 4.22Å; F43-F47 AromaticContact CE2-CE2 3.64Å; F43-F47 HydrophobicContact CE2-CE2 3.64Å; F43-F47 HydrophobicContact CE2-CZ 4.1Å; F43-F47 HydrophobicContact CG-CE2 4.24Å; F43-F47 HydrophobicContact CZ-CD2 4.34Å; F43-F47 AromaticContact CZ-CE2 3.28Å; F43-F47 HydrophobicContact CZ-CE2 3.28Å; F43-F47 AromaticContact CZ-CZ 3.72Å; F43-F47 HydrophobicContact CZ-CZ 3.72Å; F43-F47 VanDerWaalsContact O-CD2 3.31Å; F43-F47 WeakPolarHBondContact O-CD2 3.2Å
44	M	95.6	Very high	94.8	Very high	87 Å²	87	116.2 Å²	116.2	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-64.8	-30.5	-179.7	-71	-60.3	-68	0	0	113.2	Y40 L41 M42 F46 F47 N48	Y40-M44 HydrophobicContact CD1-CG 4.37Å; Y40-M44 HydrophobicContact CD2-CG 4.12Å; Y40-M44 HydrophobicContact CE1-CG 3.97Å; Y40-M44 HydrophobicContact CE2-CG 3.69Å; Y40-M44 HydrophobicContact CE2-SD 3.92Å; Y40-M44 HydrophobicContact CG-CG 4.44Å; Y40-M44 VanDerWaalsContact O-CG 3.28Å; Y40-M44 WeakPolarHBondContact O-CG 3.24Å; Y40-M44 PolarHBondContact O-N 2.84Å; L41-M44 PolarHBondContact O-N 2.81Å; M42-M44 PolarHBondContact O-N 2.83Å; M44-F46 PolarHBondContact O-N 3.05Å; M44-F47 PolarHBondContact O-N 3.31Å; M44-N48 PolarHBondContact O-N 3.36Å
45	L	92.2	Very high	94.4	Very high	108 Å²	108	119.4 Å²	119.4	57%	0.565	59%	0.591	S	S	*	*	H	α-helix	trans	-62	-30.8	176.8	-70.5	173.4	0	0	0	112.6	L41 M42 F43 F47 N48	L41-L45 WeakPolarHBondContact O-CG 3.19Å; L41-L45 PolarHBondContact O-N 2.79Å; M42-L45 HydrophobicContact CE-CD1 3.76Å; M42-L45 PolarHBondContact O-N 3.38Å; M42-L45 HydrophobicContact SD-CD1 4.31Å; F43-L45 VanDerWaalsContact C-N 3.29Å; F43-L45 PolarHBondContact O-N 2.88Å; L45-F47 VanDerWaalsContact C-N 3.27Å; L45-F47 PolarHBondContact O-N 2.84Å; L45-N48 PolarHBondContact O-N 2.88Å
46	F	93.4	Very high	94.2	Very high	173 Å²	173	122.4 Å²	122.4	76%	0.759	60%	0.603	S	S	*	*	H	α-helix	trans	-67.5	-25.9	177.6	-69.8	-72.9	0	0	0	113.6	M42 F43 M44	M42-F46 VanDerWaalsContact O-CD2 3.23Å; M42-F46 WeakPolarHBondContact O-CD2 3.36Å; F43-F46 PolarHBondContact O-N 3.24Å; M44-F46 PolarHBondContact O-N 3.05Å
47	F	94.5	Very high	93.9	Very high	134 Å²	134	125.6 Å²	125.6	59%	0.588	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-0.6	-179.1	-59.3	-80.1	0	0	0	113.2	F43 M44 L45 N49	F43-F47 HydrophobicContact CD1-CD2 4.32Å; F43-F47 AromaticContact CD1-CE2 3.91Å; F43-F47 HydrophobicContact CD1-CE2 3.91Å; F43-F47 HydrophobicContact CD2-CE2 4.1Å; F43-F47 HydrophobicContact CE1-CD2 4.07Å; F43-F47 AromaticContact CE1-CE2 3.42Å; F43-F47 HydrophobicContact CE1-CE2 3.42Å; F43-F47 VanDerWaalsContact CE1-CE2 3.42Å; F43-F47 HydrophobicContact CE1-CZ 4.22Å; F43-F47 AromaticContact CE2-CE2 3.64Å; F43-F47 HydrophobicContact CE2-CE2 3.64Å; F43-F47 HydrophobicContact CE2-CZ 4.1Å; F43-F47 HydrophobicContact CG-CE2 4.24Å; F43-F47 HydrophobicContact CZ-CD2 4.34Å; F43-F47 AromaticContact CZ-CE2 3.28Å; F43-F47 HydrophobicContact CZ-CE2 3.28Å; F43-F47 AromaticContact CZ-CZ 3.72Å; F43-F47 HydrophobicContact CZ-CZ 3.72Å; F43-F47 VanDerWaalsContact O-CD2 3.31Å; F43-F47 WeakPolarHBondContact O-CD2 3.2Å; M44-F47 PolarHBondContact O-N 3.31Å; L45-F47 VanDerWaalsContact C-N 3.27Å; L45-F47 PolarHBondContact O-N 2.84Å; F47-N49 PolarHBondContact O-N 3.01Å
48	N	92.6	Very high	93.7	Very high	84 Å²	84	122.3 Å²	122.3	45%	0.449	60%	0.599	S	S	.	*			trans	-86	114.4	-178.1	-170.2	0.2	0	0	0	111.2	M44 L45 Y50	M44-N48 PolarHBondContact O-N 3.36Å; L45-N48 PolarHBondContact O-N 2.88Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.38Å; N48-Y50 WeakPolarHBondContact OD1-CD2 2.92Å; N48-Y50 PolarHBondContact OD1-N 3.26Å
49	N	93.8	Very high	93.6	Very high	151 Å²	151	125.5 Å²	125.5	81%	0.807	61%	0.61	S	S	*	*			trans	-88.2	-9.8	177.4	-66.3	-39	0	0	0	113.7	F47	F47-N49 PolarHBondContact O-N 3.01Å
50	Y	93.8	Very high	93.6	Very high	209 Å²	209	129.8 Å²	129.8	82%	0.82	62%	0.622	S	S	*	*			trans	-83.7	125.5	-177.4	-62.2	-70.9	0	0	0	111.3	N48	N48-Y50 WeakPolarHBondContact OD1-CB 3.38Å; N48-Y50 WeakPolarHBondContact OD1-CD2 2.92Å; N48-Y50 PolarHBondContact OD1-N 3.26Å
51	V	91.6	Very high	93.5	Very high	141 Å²	141	127.5 Å²	127.5	86%	0.855	62%	0.618	S	S	*	*			trans	-107.9	126.9	179.7	-178.1	0	0	0	0	110.3
52	N	90	Very high	93.6	Very high	109 Å²	109	127 Å²	127	58%	0.583	61%	0.613	S	S	*	*			trans	-123.8	98.5	171.1	-174.4	2	0	0	0	111.3	F54	N52-F54 PolarHBondContact OD1-N 2.69Å
53	R	90.1	Very high	93.7	Very high	194 Å²	194	127.4 Å²	127.4	73%	0.732	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-14.1	-179.3	68	-178.8	178.4	-175.6	-2.8	115.1
54	F	94.4	Very high	93.7	Very high	151 Å²	151	125.8 Å²	125.8	66%	0.662	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-1.9	-173.1	-63	-64.5	0	0	0	112.8	N52 L56	N52-F54 PolarHBondContact OD1-N 2.69Å; F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 PolarHBondContact O-N 3.26Å
55	L	89.8	Confident	93.7	Very high	132 Å²	132	128.7 Å²	128.7	69%	0.691	62%	0.618	S	S	*	*			trans	-79.2	80.1	174.5	-172.5	70.5	0	0	0	110.3
56	L	91.9	Very high	94	Very high	151 Å²	151	127.9 Å²	127.9	79%	0.791	62%	0.617	S	S	*	*			trans	-92.5	-27.8	-178.4	-63.4	176.7	0	0	0	113.7	F54	F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 PolarHBondContact O-N 3.26Å
57	H	93.1	Very high	94.2	Very high	161 Å²	161	123.9 Å²	123.9	75%	0.745	60%	0.603	S	S	*	*			trans	-141.7	142.7	-176.1	50.3	57.5	0	0	0	111.3
58	G	92.5	Very high	94.3	Very high	21 Å²	21	121.9 Å²	121.9	22%	0.216	60%	0.598	C	S	.	*			trans	-148.6	63.2	-175.9	0	0	0	0	0	112.5	L60 I61 E62	G58-L60 PolarHBondContact O-N 2.81Å; G58-I61 WeakPolarHBondContact O-CG2 3.45Å; G58-I61 PolarHBondContact O-N 3.27Å; G58-E62 PolarHBondContact O-N 3.13Å
59	Q	95.3	Very high	94.5	Very high	142 Å²	142	120.8 Å²	120.8	66%	0.664	60%	0.595	S	S	*	*	H	α-helix	trans	-50.6	-36.4	-177.3	-166.2	69.2	13.8	0	0	113.6	E62 M63	Q59-E62 PolarHBondContact O-N 2.85Å; Q59-M63 WeakPolarHBondContact O-CB 3.5Å; Q59-M63 PolarHBondContact O-N 3.45Å
60	L	96.2	Very high	94.6	Very high	130 Å²	130	116.4 Å²	116.4	68%	0.681	58%	0.58	S	S	*	*	H	α-helix	trans	-67.9	-41.3	179.3	-175.4	138.6	0	0	0	112.5	G58 E62 M63 I64	G58-L60 PolarHBondContact O-N 2.81Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-M63 PolarHBondContact O-N 2.65Å; L60-I64 HydrophobicContact CD2-CD1 3.64Å; L60-I64 HydrophobicContact CG-CD1 4.33Å; L60-I64 VanDerWaalsContact O-CG1 3.28Å; L60-I64 WeakPolarHBondContact O-CG1 3.22Å; L60-I64 PolarHBondContact O-N 2.83Å; L60-I64 VanDerWaalsContact O-N 3.12Å
61	I	95.6	Very high	94.8	Very high	87 Å²	87	110.3 Å²	110.3	45%	0.446	56%	0.561	S	S	.	*	H	α-helix	trans	-70.2	-36.1	176.2	-169.7	69.9	0	0	0	110.7	G58 M63 I64 W65	G58-I61 WeakPolarHBondContact O-CG2 3.45Å; G58-I61 PolarHBondContact O-N 3.27Å; I61-M63 VanDerWaalsContact C-N 3.35Å; I61-M63 PolarHBondContact O-N 2.73Å; I61-I64 PolarHBondContact O-N 2.91Å; I61-W65 HydrophobicContact CG1-CE3 3.72Å; I61-W65 HydrophobicContact CG1-CZ3 3.92Å; I61-W65 HydrophobicContact CG2-CH2 4.44Å; I61-W65 HydrophobicContact CG2-CZ3 4.12Å; I61-W65 PolarHBondContact O-N 3.19Å
62	E	96.9	Very high	95.1	Very high	79 Å²	79	105.7 Å²	105.7	37%	0.369	53%	0.531	S	S	.	.	H	α-helix	trans	-61.4	-43	175.4	-72	175.7	-155.6	0	0	112.2	G58 Q59 L60 W65 T66	G58-E62 PolarHBondContact O-N 3.13Å; Q59-E62 PolarHBondContact O-N 2.85Å; L60-E62 VanDerWaalsContact C-N 3.34Å; E62-W65 HydrophobicContact CB-CZ2 4.24Å; E62-W65 HydrophobicContact CG-CH2 4.1Å; E62-W65 HydrophobicContact CG-CZ2 3.47Å; E62-W65 VanDerWaalsContact CG-CZ2 3.47Å; E62-W65 PolarHBondContact O-NE1 3.06Å; E62-T66 WeakPolarHBondContact O-CB 3.21Å; E62-T66 PolarHBondContact O-N 3.26Å; E62-T66 PolarHBondContact O-OG1 2.93Å
63	M	97.3	Very high	95.4	Very high	111 Å²	111	106 Å²	106	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-61.8	-46.6	174.3	-174.8	-167.7	-62.8	0	0	111.2	Q59 L60 I61 T66 I67	Q59-M63 WeakPolarHBondContact O-CB 3.5Å; Q59-M63 PolarHBondContact O-N 3.45Å; L60-M63 PolarHBondContact O-N 2.65Å; I61-M63 VanDerWaalsContact C-N 3.35Å; I61-M63 PolarHBondContact O-N 2.73Å; M63-T66 PolarHBondContact O-N 2.72Å; M63-I67 HydrophobicContact CG-CD1 3.68Å; M63-I67 HydrophobicContact CG-CG1 4.45Å; M63-I67 WeakPolarHBondContact O-CG1 3.14Å; M63-I67 PolarHBondContact O-N 2.95Å; M63-I67 HydrophobicContact SD-CD1 4.35Å
64	I	97.1	Very high	95.7	Very high	86 Å²	86	101.5 Å²	101.5	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-50.9	-177.9	-69.7	167.1	0	0	0	111	L60 I61 T66 I67 L68	L60-I64 HydrophobicContact CD2-CD1 3.64Å; L60-I64 HydrophobicContact CG-CD1 4.33Å; L60-I64 VanDerWaalsContact O-CG1 3.28Å; L60-I64 WeakPolarHBondContact O-CG1 3.22Å; L60-I64 PolarHBondContact O-N 2.83Å; L60-I64 VanDerWaalsContact O-N 3.12Å; I61-I64 PolarHBondContact O-N 2.91Å; I64-T66 PolarHBondContact O-N 3.24Å; I64-I67 PolarHBondContact O-N 2.89Å; I64-L68 VanDerWaalsContact O-CB 3.23Å; I64-L68 WeakPolarHBondContact O-CB 3.16Å; I64-L68 PolarHBondContact O-N 2.89Å
65	W	96.3	Very high	95.8	Very high	149 Å²	149	100.1 Å²	100.1	56%	0.564	52%	0.516	S	S	*	.	H	α-helix	trans	-71.8	-8.9	-178.2	71.5	39.1	0	0	0	113.5	I61 E62 P69	I61-W65 HydrophobicContact CG1-CE3 3.72Å; I61-W65 HydrophobicContact CG1-CZ3 3.92Å; I61-W65 HydrophobicContact CG2-CH2 4.44Å; I61-W65 HydrophobicContact CG2-CZ3 4.12Å; I61-W65 PolarHBondContact O-N 3.19Å; E62-W65 HydrophobicContact CB-CZ2 4.24Å; E62-W65 HydrophobicContact CG-CH2 4.1Å; E62-W65 HydrophobicContact CG-CZ2 3.47Å; E62-W65 VanDerWaalsContact CG-CZ2 3.47Å; E62-W65 PolarHBondContact O-NE1 3.06Å; W65-P69 VanDerWaalsContact C-CD 3.5Å; W65-P69 WeakPolarHBondContact O-CD 3.45Å; W65-P69 WeakPolarHBondContact O-CG 3.43Å
66	T	97.2	Very high	96.1	Very high	90 Å²	90	95.6 Å²	95.6	55%	0.552	49%	0.492	S	S	*	.	H	α-helix	trans	-92	-45.8	175.7	-57.9	0	0	0	0	110.2	E62 M63 I64	E62-T66 WeakPolarHBondContact O-CB 3.21Å; E62-T66 PolarHBondContact O-N 3.26Å; E62-T66 PolarHBondContact O-OG1 2.93Å; M63-T66 PolarHBondContact O-N 2.72Å; I64-T66 PolarHBondContact O-N 3.24Å
67	I	97.9	Very high	96.4	Very high	90 Å²	90	90.2 Å²	90.2	46%	0.462	47%	0.469	S	S	.	.	H	α-helix	trans	-71	-40.6	-179.7	-66	175.2	0	0	0	111.1	M63 I64 A70 I71	M63-I67 HydrophobicContact CG-CD1 3.68Å; M63-I67 HydrophobicContact CG-CG1 4.45Å; M63-I67 WeakPolarHBondContact O-CG1 3.14Å; M63-I67 PolarHBondContact O-N 2.95Å; M63-I67 HydrophobicContact SD-CD1 4.35Å; I64-I67 PolarHBondContact O-N 2.89Å; I67-A70 WeakPolarHBondContact O-CB 3.37Å; I67-A70 PolarHBondContact O-N 3.32Å; I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 WeakPolarHBondContact O-CG1 3.49Å; I67-I71 PolarHBondContact O-N 3.26Å
68	L	96.4	Very high	96.5	Very high	92 Å²	92	87.4 Å²	87.4	48%	0.482	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-50	-175.2	-178.5	71.1	0	0	0	112.7	I64 A70 I71 I72	I64-L68 VanDerWaalsContact O-CB 3.23Å; I64-L68 WeakPolarHBondContact O-CB 3.16Å; I64-L68 PolarHBondContact O-N 2.89Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.17Å; L68-I71 PolarHBondContact O-N 3.45Å; L68-I72 HydrophobicContact CG-CD1 4.21Å; L68-I72 WeakPolarHBondContact O-CG1 3.32Å; L68-I72 PolarHBondContact O-N 2.91Å
69	P	96.7	Very high	96.7	Very high	60 Å²	60	88.7 Å²	88.7	39%	0.39	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-34.3	174.9	-25	37.3	0	0	0	113.5	W65 I71 I72 L73	W65-P69 VanDerWaalsContact C-CD 3.5Å; W65-P69 WeakPolarHBondContact O-CD 3.45Å; W65-P69 WeakPolarHBondContact O-CG 3.43Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 2.88Å; P69-I72 PolarHBondContact O-N 2.94Å; P69-L73 WeakPolarHBondContact O-CG 3.32Å; P69-L73 PolarHBondContact O-N 2.75Å
70	A	97.6	Very high	96.8	Very high	60 Å²	60	84.1 Å²	84.1	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.6	0	0	0	0	0	111.6	I67 L68 L73 L74	I67-A70 WeakPolarHBondContact O-CB 3.37Å; I67-A70 PolarHBondContact O-N 3.32Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.17Å; A70-L73 PolarHBondContact O-N 3.26Å; A70-L74 PolarHBondContact O-N 3.42Å; A70-L74 VanDerWaalsContact O-N 3.14Å
71	I	97.4	Very high	96.8	Very high	80 Å²	80	82.2 Å²	82.2	41%	0.41	44%	0.438	S	S	.	.	H	α-helix	trans	-64.4	-43.2	174.1	-67.3	171.6	0	0	0	110.8	I67 L68 P69 L73 L74 F75	I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 WeakPolarHBondContact O-CG1 3.49Å; I67-I71 PolarHBondContact O-N 3.26Å; L68-I71 PolarHBondContact O-N 3.45Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 2.88Å; I71-L73 PolarHBondContact O-N 3.19Å; I71-L74 WeakPolarHBondContact O-CB 3.37Å; I71-L74 PolarHBondContact O-N 3.1Å; I71-F75 HydrophobicContact CG2-CD2 3.9Å; I71-F75 HydrophobicContact CG2-CE2 3.56Å; I71-F75 WeakPolarHBondContact O-CD2 3.44Å; I71-F75 PolarHBondContact O-N 3.37Å
72	I	97	Very high	96.8	Very high	44 Å²	44	86.5 Å²	86.5	23%	0.226	45%	0.448	C	S	.	.	H	α-helix	trans	-61.2	-44.2	178.3	-67.2	168	0	0	0	111.3	I30 I34 L68 P69 L74 F75 I76	I30-I72 HydrophobicContact CG2-CG2 3.36Å; I34-I72 HydrophobicContact CD1-CD1 4.42Å; I34-I72 HydrophobicContact CD1-CG2 4.24Å; L68-I72 HydrophobicContact CG-CD1 4.21Å; L68-I72 WeakPolarHBondContact O-CG1 3.32Å; L68-I72 PolarHBondContact O-N 2.91Å; P69-I72 PolarHBondContact O-N 2.94Å; I72-L74 VanDerWaalsContact C-N 3.27Å; I72-L74 PolarHBondContact O-N 2.75Å; I72-F75 PolarHBondContact O-N 3.27Å; I72-F75 VanDerWaalsContact O-N 3.11Å; I72-I76 HydrophobicContact CG2-CD1 4.43Å; I72-I76 PolarHBondContact O-N 3.02Å
73	L	96.8	Very high	96.7	Very high	115 Å²	115	83.3 Å²	83.3	60%	0.602	43%	0.434	S	S	*	.	H	α-helix	trans	-61.1	-36.7	176.6	-73.5	175.4	0	0	0	111.9	P69 A70 I71 F75 I76 A77	P69-L73 WeakPolarHBondContact O-CG 3.32Å; P69-L73 PolarHBondContact O-N 2.75Å; A70-L73 PolarHBondContact O-N 3.26Å; I71-L73 PolarHBondContact O-N 3.19Å; L73-F75 VanDerWaalsContact C-N 3.32Å; L73-F75 PolarHBondContact O-N 3.05Å; L73-I76 PolarHBondContact O-N 2.83Å; L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 3.4Å
74	L	96.8	Very high	96.6	Very high	100 Å²	100	82.9 Å²	82.9	52%	0.524	43%	0.433	S	S	.	.	H	α-helix	trans	-59.9	-42.5	174.1	-174.1	70.9	0	0	0	111.6	A70 I71 I72 I76 A77 L78	A70-L74 PolarHBondContact O-N 3.42Å; A70-L74 VanDerWaalsContact O-N 3.14Å; I71-L74 WeakPolarHBondContact O-CB 3.37Å; I71-L74 PolarHBondContact O-N 3.1Å; I72-L74 VanDerWaalsContact C-N 3.27Å; I72-L74 PolarHBondContact O-N 2.75Å; L74-I76 VanDerWaalsContact C-N 3.27Å; L74-I76 PolarHBondContact O-N 2.91Å; L74-A77 PolarHBondContact O-N 2.83Å; L74-L78 HydrophobicContact CD1-CG 4.44Å; L74-L78 HydrophobicContact CG-CD1 4.28Å; L74-L78 HydrophobicContact CG-CG 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 3.43Å
75	F	95.6	Very high	96.4	Very high	122 Å²	122	86.9 Å²	86.9	54%	0.535	44%	0.444	S	S	.	.	H	α-helix	trans	-67.7	-23.6	177.7	-78.5	-70.8	0	0	0	114.1	H26 I71 I72 L73 P79	H26-F75 PolarHBondContact NE2-O 2.96Å; I71-F75 HydrophobicContact CG2-CD2 3.9Å; I71-F75 HydrophobicContact CG2-CE2 3.56Å; I71-F75 WeakPolarHBondContact O-CD2 3.44Å; I71-F75 PolarHBondContact O-N 3.37Å; I72-F75 PolarHBondContact O-N 3.27Å; I72-F75 VanDerWaalsContact O-N 3.11Å; L73-F75 VanDerWaalsContact C-N 3.32Å; L73-F75 PolarHBondContact O-N 3.05Å; F75-P79 WeakPolarHBondContact O-CD 3.4Å; F75-P79 WeakPolarHBondContact O-CG 3.33Å
76	I	97.4	Very high	96.2	Very high	37 Å²	37	82.9 Å²	82.9	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-82	-43	171.1	-62.2	172.5	0	0	0	110.1	F23 I30 I72 L73 L74 L78 P79 S80	F23-I76 HydrophobicContact CE2-CG2 4.23Å; F23-I76 HydrophobicContact CZ-CG2 4.18Å; I30-I76 HydrophobicContact CD1-CD1 4.3Å; I30-I76 HydrophobicContact CD1-CG1 3.64Å; I30-I76 HydrophobicContact CG2-CD1 4.08Å; I72-I76 HydrophobicContact CG2-CD1 4.43Å; I72-I76 PolarHBondContact O-N 3.02Å; L73-I76 PolarHBondContact O-N 2.83Å; L74-I76 VanDerWaalsContact C-N 3.27Å; L74-I76 PolarHBondContact O-N 2.91Å; I76-L78 PolarHBondContact O-N 2.8Å; I76-P79 WeakPolarHBondContact O-CD 3.46Å; I76-P79 WeakPolarHBondContact O-CG 3.49Å; I76-S80 WeakPolarHBondContact O-CB 3.22Å; I76-S80 PolarHBondContact O-N 3.47Å
77	A	97.2	Very high	95.8	Very high	38 Å²	38	81.6 Å²	81.6	31%	0.314	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-39.8	-173.8	0	0	0	0	0	113.1	L73 L74 S80 L81	L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 3.4Å; L74-A77 PolarHBondContact O-N 2.83Å; A77-S80 WeakPolarHBondContact O-CB 3.35Å; A77-S80 PolarHBondContact O-N 3.45Å; A77-L81 WeakPolarHBondContact O-CB 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.26Å
78	L	95.6	Very high	95.2	Very high	102 Å²	102	83.3 Å²	83.3	53%	0.534	43%	0.433	S	S	.	.	H	α-helix	trans	-58.4	-54.5	-178	-72	173.9	0	0	0	114	L74 I76 S80 R82	L74-L78 HydrophobicContact CD1-CG 4.44Å; L74-L78 HydrophobicContact CG-CD1 4.28Å; L74-L78 HydrophobicContact CG-CG 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 3.43Å; I76-L78 PolarHBondContact O-N 2.8Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 2.92Å; L78-R82 PolarHBondContact O-N 3.38Å
79	P	96.1	Very high	94.7	Very high	48 Å²	48	84.1 Å²	84.1	31%	0.312	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-33.9	175.7	25	-33.2	0	0	0	112.4	F23 F75 I76 R82 L83	F23-P79 HydrophobicContact CD2-CB 4.17Å; F23-P79 HydrophobicContact CD2-CG 4.17Å; F23-P79 HydrophobicContact CE2-CG 4.2Å; F75-P79 WeakPolarHBondContact O-CD 3.4Å; F75-P79 WeakPolarHBondContact O-CG 3.33Å; I76-P79 WeakPolarHBondContact O-CD 3.46Å; I76-P79 WeakPolarHBondContact O-CG 3.49Å; P79-R82 PolarHBondContact O-N 2.91Å; P79-L83 WeakPolarHBondContact O-CB 3.3Å; P79-L83 PolarHBondContact O-N 3.21Å
80	S	97	Very high	93.6	Very high	47 Å²	47	87.8 Å²	87.8	33%	0.329	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-48.8	176.9	-178.5	0	0	0	0	112.3	I76 A77 L78 L83 L84	I76-S80 WeakPolarHBondContact O-CB 3.22Å; I76-S80 PolarHBondContact O-N 3.47Å; A77-S80 WeakPolarHBondContact O-CB 3.35Å; A77-S80 PolarHBondContact O-N 3.45Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 2.92Å; S80-L83 PolarHBondContact O-N 3.47Å; S80-L84 PolarHBondContact O-N 3.45Å
81	L	96.4	Very high	92.7	Very high	89 Å²	89	87.8 Å²	87.8	47%	0.466	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-42	179.9	-72.3	172.2	0	0	0	111.1	A77 L83 L84 Y85	A77-L81 WeakPolarHBondContact O-CB 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.26Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 2.85Å; L81-L84 WeakPolarHBondContact O-CB 3.44Å; L81-L84 PolarHBondContact O-N 2.92Å; L81-Y85 WeakPolarHBondContact O-CD2 3.32Å; L81-Y85 PolarHBondContact O-N 2.98Å; L81-Y85 VanDerWaalsContact O-N 3.11Å
82	R	95.6	Very high	92.2	Very high	177 Å²	177	92.9 Å²	92.9	67%	0.668	46%	0.463	S	S	*	.	H	α-helix	trans	-55.9	-46	174.5	178.9	-177.3	172.8	-167.1	-3.3	111.2	L78 P79 Y85 L86	L78-R82 PolarHBondContact O-N 3.38Å; P79-R82 PolarHBondContact O-N 2.91Å; R82-Y85 PolarHBondContact O-N 3.21Å; R82-L86 HydrophobicContact CG-CD1 4.28Å; R82-L86 WeakPolarHBondContact O-CG 3.31Å; R82-L86 PolarHBondContact O-N 2.92Å; R82-L86 VanDerWaalsContact O-N 3.12Å
83	L	94.9	Very high	92	Very high	12 Å²	12	92.4 Å²	92.4	6%	0.063	46%	0.462	C	S	.	.	H	α-helix	trans	-66.8	-38.8	-179.8	-173	56.7	0	0	0	112.2	Q19 L20 F23 P79 S80 L81 Y85 L86 L87	Q19-L83 HydrophobicContact CB-CD1 3.53Å; Q19-L83 HydrophobicContact CB-CD2 4.41Å; Q19-L83 HydrophobicContact CG-CD1 4.39Å; L20-L83 HydrophobicContact CB-CD2 4.49Å; L20-L83 HydrophobicContact CD2-CD2 3.48Å; L20-L83 VanDerWaalsContact CD2-CD2 3.48Å; L20-L83 HydrophobicContact CD2-CG 4.35Å; L20-L83 HydrophobicContact CG-CD2 3.89Å; F23-L83 HydrophobicContact CB-CD2 4.12Å; P79-L83 WeakPolarHBondContact O-CB 3.3Å; P79-L83 PolarHBondContact O-N 3.21Å; S80-L83 PolarHBondContact O-N 3.47Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 2.85Å; L83-Y85 VanDerWaalsContact C-N 3.32Å; L83-Y85 PolarHBondContact O-N 3.04Å; L83-L86 PolarHBondContact O-N 3.38Å; L83-L87 HydrophobicContact CG-CD1 4.3Å; L83-L87 WeakPolarHBondContact O-CG 3.26Å; L83-L87 PolarHBondContact O-N 3.39Å
84	L	94.9	Very high	91.8	Very high	102 Å²	102	90.3 Å²	90.3	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-56.4	-46.3	174.4	179.7	65.8	0	0	0	111.7	S80 L81 L87 D88	S80-L84 PolarHBondContact O-N 3.45Å; L81-L84 WeakPolarHBondContact O-CB 3.44Å; L81-L84 PolarHBondContact O-N 2.92Å; L84-L87 PolarHBondContact O-N 3.4Å; L84-D88 PolarHBondContact O-N 3.2Å
85	Y	93.4	Very high	91.6	Very high	170 Å²	170	86.3 Å²	86.3	67%	0.667	44%	0.437	S	S	*	.	H	α-helix	trans	-68.7	-32.8	178	-75.3	-69.9	0	0	0	113.2	L81 R82 L83 L87 D88 E89	L81-Y85 WeakPolarHBondContact O-CD2 3.32Å; L81-Y85 PolarHBondContact O-N 2.98Å; L81-Y85 VanDerWaalsContact O-N 3.11Å; R82-Y85 PolarHBondContact O-N 3.21Å; L83-Y85 VanDerWaalsContact C-N 3.32Å; L83-Y85 PolarHBondContact O-N 3.04Å; Y85-L87 VanDerWaalsContact C-N 3.33Å; Y85-D88 PolarHBondContact O-N 3.14Å; Y85-E89 PolarHBondContact O-N 3.44Å
86	L	91.2	Very high	91.6	Very high	66 Å²	66	81 Å²	81	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-67.6	-33.6	173.8	-70.9	171.5	0	0	0	112.4	R82 L83	R82-L86 HydrophobicContact CG-CD1 4.28Å; R82-L86 WeakPolarHBondContact O-CG 3.31Å; R82-L86 PolarHBondContact O-N 2.92Å; R82-L86 VanDerWaalsContact O-N 3.12Å; L83-L86 PolarHBondContact O-N 3.38Å
87	L	89.4	Confident	91.5	Very high	62 Å²	62	79.3 Å²	79.3	33%	0.325	41%	0.406	S	S	.	.	H	α-helix	trans	-70.3	-33.2	176.6	-73.4	166.1	0	0	0	112.4	L16 L83 L84 Y85 E89	L16-L87 HydrophobicContact CB-CD2 3.99Å; L16-L87 HydrophobicContact CD1-CD2 3.82Å; L16-L87 HydrophobicContact CD2-CD2 3.75Å; L16-L87 HydrophobicContact CD2-CG 4.31Å; L16-L87 HydrophobicContact CG-CD2 4.04Å; L83-L87 HydrophobicContact CG-CD1 4.3Å; L83-L87 WeakPolarHBondContact O-CG 3.26Å; L83-L87 PolarHBondContact O-N 3.39Å; L84-L87 PolarHBondContact O-N 3.4Å; Y85-L87 VanDerWaalsContact C-N 3.33Å; L87-E89 VanDerWaalsContact C-N 3.33Å
88	D	86.4	Confident	91.5	Very high	127 Å²	127	79.7 Å²	79.7	68%	0.679	40%	0.4	S	S	*	.	S	Bend	trans	-86.8	-4.1	-178.6	-158.1	43.6	0	0	0	113.2	L84 Y85 I90	L84-D88 PolarHBondContact O-N 3.2Å; Y85-D88 PolarHBondContact O-N 3.14Å; D88-I90 PolarHBondContact O-N 3.18Å
89	E	84.6	Confident	91.6	Very high	109 Å²	109	74.8 Å²	74.8	51%	0.509	38%	0.375	S	S	.	.			trans	-64.2	120.3	-179.4	-165.2	168.8	-165.5	0	0	110.9	Y85 L87 N91	Y85-E89 PolarHBondContact O-N 3.44Å; L87-E89 VanDerWaalsContact C-N 3.33Å; E89-N91 PolarHBondContact O-N 3.32Å; E89-N91 VanDerWaalsContact O-N 3.09Å
90	I	73.4	Confident	91.6	Very high	136 Å²	136	73.5 Å²	73.5	70%	0.697	37%	0.365	S	S	*	.			trans	-79.9	98.5	-178.6	-56	175.2	0	0	0	108.5	D88	D88-I90 PolarHBondContact O-N 3.18Å
91	N	79.1	Confident	91.6	Very high	60 Å²	60	71.2 Å²	71.2	32%	0.321	35%	0.349	S	S	.	.			trans	-83.2	152.2	168.2	-66.7	-49.6	0	0	0	110.7	E89 P93 Q149	E89-N91 PolarHBondContact O-N 3.32Å; E89-N91 VanDerWaalsContact O-N 3.09Å; N91-P93 WeakPolarHBondContact O-CD 3.26Å; N91-Q149 HydrophobicContact CB-CG 3.75Å; N91-Q149 PolarHBondContact ND2-NE2 2.97Å; N91-Q149 VanDerWaalsContact ND2-NE2 3.18Å
92	E	88.1	Confident	91.6	Very high	188 Å²	188	68.7 Å²	68.7	88%	0.879	34%	0.335	S	S	*	.			trans	-70.9	112.5	168	-66.3	-163.6	163.1	0	0	109.1
93	P	91.8	Very high	91.5	Very high	33 Å²	33	64.3 Å²	64.3	21%	0.214	32%	0.322	C	S	.	.			trans	-78.2	145.1	179.8	35.1	-36.7	0	0	0	110.5	N91 Q149 R151	N91-P93 WeakPolarHBondContact O-CD 3.26Å; P93-Q149 CarbonylContact C-O 3.54Å; P93-Q149 WeakPolarHBondContact CA-O 3.29Å; P93-R151 HydrophobicContact CB-CB 3.62Å; P93-R151 HydrophobicContact CG-CB 3.85Å
94	S	92.3	Very high	91.3	Very high	72 Å²	72	67.7 Å²	67.7	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	-85.6	-25.8	171.1	49.8	0	0	0	0	113	S148 Q149	S94-S148 WeakPolarHBondContact OG-CB 3.37Å; S94-Q149 PolarHBondContact N-O 2.95Å; S94-Q149 PolarHBondContact OG-N 3.35Å; S94-Q149 PolarHBondContact OG-O 3.35Å; S94-Q149 VanDerWaalsContact OG-O 3.05Å
95	V	93.5	Very high	91.3	Very high	15 Å²	15	65.1 Å²	65.1	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.4	-179.8	179.2	0	0	0	0	109.7	D112 F113 P145 I150 R151	V95-D112 WeakPolarHBondContact CA-OD2 3.25Å; V95-F113 HydrophobicContact CG1-CE2 4.47Å; V95-P145 HydrophobicContact CG2-CG 3.91Å; V95-I150 WeakPolarHBondContact O-CA 3.28Å; V95-R151 PolarHBondContact O-N 3.47Å
96	T	95.1	Very high	91.5	Very high	12 Å²	12	57.1 Å²	57.1	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.3	172.7	-52.9	0	0	0	0	110.1	S111 D112 R151 L153	T96-S111 WeakPolarHBondContact CB-OG 3.46Å; T96-S111 WeakPolarHBondContact CG2-OG 3.3Å; T96-D112 PolarHBondContact N-OD2 3.22Å; T96-R151 CarbonylContact C-O 3.59Å; T96-R151 WeakPolarHBondContact CA-O 3.4Å; T96-R151 HydrophobicContact CG2-CB 4.42Å; T96-R151 HydrophobicContact CG2-CG 4.3Å; T96-L153 HydrophobicContact CG2-CD1 3.68Å; T96-L153 HydrophobicContact CG2-CG 4.06Å
97	L	96.3	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.5	171.4	177.8	72.6	0	0	0	108.6	Y108 Y110 V142 L144 R151 I152 L153	L97-Y108 HydrophobicContact CD1-CD1 4.12Å; L97-Y108 HydrophobicContact CD2-CD1 4.07Å; L97-Y108 HydrophobicContact CD2-CE1 4.37Å; L97-Y108 HydrophobicContact CG-CD1 4.27Å; L97-Y110 HydrophobicContact CD1-CD1 3.88Å; L97-Y110 HydrophobicContact CD1-CE1 3.77Å; L97-Y110 HydrophobicContact CD1-CG 4.34Å; L97-V142 HydrophobicContact CD1-CG1 4.1Å; L97-V142 HydrophobicContact CD2-CG1 3.6Å; L97-L144 HydrophobicContact CB-CD2 4.4Å; L97-L144 HydrophobicContact CD2-CD1 4.26Å; L97-L144 HydrophobicContact CD2-CD2 4.37Å; L97-R151 PolarHBondContact N-O 3.38Å; L97-I152 HydrophobicContact CD2-CD1 4.23Å; L97-I152 HydrophobicContact CD2-CG1 4.42Å; L97-I152 CarbonylContact O-C 3.37Å; L97-I152 VanDerWaalsContact O-CA 3.24Å; L97-I152 WeakPolarHBondContact O-CA 2.98Å; L97-L153 PolarHBondContact O-N 3.37Å
98	K	96.7	Very high	92.2	Very high	46 Å²	46	52.3 Å²	52.3	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134	168.8	-174	-164.7	176.8	-158	0	109	I100 Y108 E109 L153	K98-I100 HydrophobicContact CD-CD1 4.31Å; K98-I100 HydrophobicContact CD-CG1 4.43Å; K98-I100 HydrophobicContact CG-CG1 4.35Å; K98-Y108 WeakPolarHBondContact O-CA 3.31Å; K98-E109 HydrophobicContact CB-CB 4.23Å; K98-E109 HydrophobicContact CD-CB 4.43Å; K98-E109 WeakPolarHBondContact CD-OE2 3.22Å; K98-E109 PolarHBondContact N-O 3.27Å; K98-E109 IonicContact NZ-OE1 2.75Å; K98-E109 PolarHBondContact NZ-OE1 3.34Å; K98-E109 IonicContact NZ-OE2 3.76Å; K98-E109 PolarHBondContact NZ-OE2 3.49Å; K98-E109 PolarHBondContact O-N 2.93Å; K98-L153 CarbonylContact C-O 3.53Å; K98-L153 VanDerWaalsContact CA-O 3.32Å; K98-L153 WeakPolarHBondContact CA-O 3.23Å; K98-L153 HydrophobicContact CB-CB 4.35Å; K98-L153 HydrophobicContact CG-CB 4.26Å
99	S	96.7	Very high	92.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126	179.5	-176.3	0	0	0	0	109	W106 Y108 L153 V154 T155	S99-W106 VanDerWaalsContact OG-CZ3 3.24Å; S99-W106 WeakPolarHBondContact OG-CZ3 3.23Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.38Å; S99-L153 PolarHBondContact N-O 3.46Å; S99-V154 WeakPolarHBondContact O-CA 3.33Å; S99-T155 PolarHBondContact O-N 3.44Å
100	I	97.3	Very high	93.2	Very high	20 Å²	20	44.8 Å²	44.8	10%	0.103	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.4	-176.1	-51.1	175.6	0	0	0	108.3	K98 H102 W106 S107 E109 T155 A157	K98-I100 HydrophobicContact CD-CD1 4.31Å; K98-I100 HydrophobicContact CD-CG1 4.43Å; K98-I100 HydrophobicContact CG-CG1 4.35Å; I100-H102 VanDerWaalsContact CG2-NE2 3.34Å; I100-H102 WeakPolarHBondContact CG2-NE2 3.35Å; I100-H102 PolarHBondContact O-CD2 3.3Å; I100-W106 VanDerWaalsContact C-CE3 3.4Å; I100-S107 PolarHBondContact N-O 3.46Å; I100-S107 PolarHBondContact O-N 2.91Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.41Å; I100-T155 WeakPolarHBondContact CA-O 3.38Å; I100-T155 HydrophobicContact CB-CG2 4.41Å; I100-T155 HydrophobicContact CG1-CG2 3.89Å; I100-T155 HydrophobicContact CG2-CG2 4.28Å; I100-A157 HydrophobicContact CG2-CB 4.13Å
101	G	96.4	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.9	176.2	0	0	0	0	0	112.1	W106 T155 A156 A157	G101-W106 VanDerWaalsContact N-CZ3 3.33Å; G101-T155 PolarHBondContact N-O 3.2Å; G101-A156 WeakPolarHBondContact O-CA 3.35Å; G101-A157 PolarHBondContact O-N 3.2Å
102	H	95.9	Very high	94.1	Very high	36 Å²	36	42.7 Å²	42.7	17%	0.167	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.2	175.4	-64.4	-93.5	0	0	0	110.1	I100 W104 Y105 S107 A157 D158 H161	I100-H102 VanDerWaalsContact CG2-NE2 3.34Å; I100-H102 WeakPolarHBondContact CG2-NE2 3.35Å; I100-H102 PolarHBondContact O-CD2 3.3Å; H102-W104 CarbonylContact O-C 3.57Å; H102-W104 WeakPolarHBondContact O-CA 3.36Å; H102-W104 PolarHBondContact O-N 3.49Å; H102-Y105 HydrophobicContact CB-CD1 3.74Å; H102-Y105 HydrophobicContact CB-CD2 4.29Å; H102-Y105 HydrophobicContact CB-CE1 3.42Å; H102-Y105 VanDerWaalsContact CB-CE1 3.42Å; H102-Y105 HydrophobicContact CB-CE2 4.01Å; H102-Y105 HydrophobicContact CB-CG 4.16Å; H102-Y105 AromaticContact CD2-CE2 3.87Å; H102-Y105 AromaticContact CG-CE2 3.95Å; H102-Y105 AromaticContact CG-CZ 3.65Å; H102-Y105 PolarHBondContact N-O 3.34Å; H102-Y105 PolarHBondContact O-N 3.18Å; H102-Y105 VanDerWaalsContact O-O 3.06Å; H102-S107 PolarHBondContact CD2-OG 3.19Å; H102-S107 PolarHBondContact NE2-OG 3.24Å; H102-A157 WeakPolarHBondContact CE1-CB 3.37Å; H102-D158 WeakPolarHBondContact CA-OD2 3.47Å; H102-H161 PolarHBondContact O-CE1 3.43Å
103	Q	94.1	Very high	94.2	Very high	85 Å²	85	39.2 Å²	39.2	40%	0.397	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	104.5	168.2	-71.1	-176.8	-39.5	0	0	109.9	D158 V159 C200	Q103-D158 PolarHBondContact N-OD2 3.36Å; Q103-V159 HydrophobicContact CG-CG2 4.09Å; Q103-C200 PolarHBondContact NE2-O 2.94Å
104	W	91.1	Very high	93.9	Very high	83 Å²	83	45.3 Å²	45.3	31%	0.314	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	cis	-131.6	77.3	-1.5	-65.6	-81.4	0	0	0	109.4	H102 C200 A202 N203 M207	H102-W104 CarbonylContact O-C 3.57Å; H102-W104 WeakPolarHBondContact O-CA 3.36Å; H102-W104 PolarHBondContact O-N 3.49Å; W104-C200 PolarHBondContact NE1-O 3.22Å; W104-A202 HydrophobicContact CH2-CB 4.07Å; W104-A202 HydrophobicContact CZ2-CB 3.79Å; W104-N203 HydrophobicContact CB-CB 3.93Å; W104-N203 HydrophobicContact CD2-CB 3.58Å; W104-N203 HydrophobicContact CE3-CB 3.94Å; W104-N203 HydrophobicContact CG-CB 3.57Å; W104-M207 HydrophobicContact CB-CB 4.44Å; W104-M207 HydrophobicContact CB-SD 3.56Å; W104-M207 VanDerWaalsContact CB-SD 3.56Å; W104-M207 VanDerWaalsContact CD1-SD 3.56Å; W104-M207 HydrophobicContact CG-SD 3.97Å
105	Y	95.6	Very high	93.3	Very high	48 Å²	48	49.5 Å²	49.5	19%	0.188	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	172.8	-177.9	68.7	-83.6	0	0	0	110.6	H102 S107 D119 Y121	H102-Y105 HydrophobicContact CB-CD1 3.74Å; H102-Y105 HydrophobicContact CB-CD2 4.29Å; H102-Y105 HydrophobicContact CB-CE1 3.42Å; H102-Y105 VanDerWaalsContact CB-CE1 3.42Å; H102-Y105 HydrophobicContact CB-CE2 4.01Å; H102-Y105 HydrophobicContact CB-CG 4.16Å; H102-Y105 AromaticContact CD2-CE2 3.87Å; H102-Y105 AromaticContact CG-CE2 3.95Å; H102-Y105 AromaticContact CG-CZ 3.65Å; H102-Y105 PolarHBondContact N-O 3.34Å; H102-Y105 PolarHBondContact O-N 3.18Å; H102-Y105 VanDerWaalsContact O-O 3.06Å; Y105-S107 WeakPolarHBondContact CE2-OG 3.04Å; Y105-D119 HydrophobicContact CD2-CB 4.01Å; Y105-D119 HydrophobicContact CE2-CB 4.06Å; Y105-Y121 VanDerWaalsContact CB-CD1 3.5Å; Y105-Y121 VanDerWaalsContact CB-CE1 3.42Å; Y105-Y121 HydrophobicContact CD1-CD1 4.36Å; Y105-Y121 AromaticContact CD1-CE1 3.43Å; Y105-Y121 HydrophobicContact CD1-CE1 3.43Å; Y105-Y121 VanDerWaalsContact CD1-CE1 3.43Å; Y105-Y121 AromaticContact CD1-CZ 3.63Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.34Å; Y105-Y121 HydrophobicContact CD2-CE1 4.08Å; Y105-Y121 HydrophobicContact CD2-CE2 4.01Å; Y105-Y121 AromaticContact CD2-CZ 3.64Å; Y105-Y121 HydrophobicContact CE1-CE1 4.17Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.31Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.45Å; Y105-Y121 HydrophobicContact CE2-CE2 4.48Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.21Å; Y105-Y121 HydrophobicContact CG-CD1 4.01Å; Y105-Y121 AromaticContact CG-CE1 3.38Å; Y105-Y121 HydrophobicContact CG-CE1 3.38Å; Y105-Y121 HydrophobicContact CG-CE2 4.14Å; Y105-Y121 AromaticContact CG-CZ 3.43Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.43Å
106	W	96.7	Very high	93.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	175.3	-72.9	101.2	0	0	0	111.1	S99 I100 G101 Y108 D119 S120 V154 H161 W163 W196	S99-W106 VanDerWaalsContact OG-CZ3 3.24Å; S99-W106 WeakPolarHBondContact OG-CZ3 3.23Å; I100-W106 VanDerWaalsContact C-CE3 3.4Å; G101-W106 VanDerWaalsContact N-CZ3 3.33Å; W106-Y108 HydrophobicContact CB-CD2 4.26Å; W106-Y108 HydrophobicContact CB-CE2 3.53Å; W106-Y108 HydrophobicContact CG-CE2 4.39Å; W106-D119 CarbonylContact O-C 3.5Å; W106-D119 WeakPolarHBondContact O-CA 3.02Å; W106-S120 PolarHBondContact N-O 3.24Å; W106-S120 PolarHBondContact O-N 2.88Å; W106-V154 HydrophobicContact CH2-CG1 4.21Å; W106-V154 HydrophobicContact CZ3-CG1 4.24Å; W106-H161 HydrophobicContact CH2-CB 4.15Å; W106-W163 HydrophobicContact CH2-CB 3.59Å; W106-W163 AromaticContact CH2-CD1 3.97Å; W106-W163 HydrophobicContact CH2-CG 4.23Å; W106-W163 HydrophobicContact CZ2-CB 3.9Å; W106-W163 AromaticContact CZ2-CD1 3.9Å; W106-W163 HydrophobicContact CZ2-CG 4.32Å; W106-W163 HydrophobicContact CZ3-CB 4.27Å; W106-W196 AromaticContact CE2-CD1 3.97Å; W106-W196 AromaticContact CE2-NE1 3.25Å; W106-W196 VanDerWaalsContact CE2-NE1 3.25Å; W106-W196 AromaticContact CZ2-CD1 3.89Å; W106-W196 AromaticContact CZ2-CE2 3.84Å; W106-W196 HydrophobicContact CZ2-CZ2 4.22Å; W106-W196 AromaticContact CZ2-NE1 2.96Å; W106-W196 AromaticContact NE1-CD1 3.52Å; W106-W196 AromaticContact NE1-NE1 3.22Å
107	S	97.4	Very high	93.3	Very high	15 Å²	15	59.1 Å²	59.1	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.5	164.1	-57	0	0	0	0	109.3	I100 H102 Y105 F118 D119	I100-S107 PolarHBondContact N-O 3.46Å; I100-S107 PolarHBondContact O-N 2.91Å; H102-S107 PolarHBondContact CD2-OG 3.19Å; H102-S107 PolarHBondContact NE2-OG 3.24Å; Y105-S107 WeakPolarHBondContact CE2-OG 3.04Å; S107-F118 WeakPolarHBondContact CA-O 3.4Å; S107-D119 WeakPolarHBondContact CB-OD1 3.33Å; S107-D119 PolarHBondContact OG-OD1 3.41Å
108	Y	97.3	Very high	93.3	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.4	179.7	-67.1	-77.6	0	0	0	110.3	L97 K98 S99 W106 E117 F118 V142 W163	L97-Y108 HydrophobicContact CD1-CD1 4.12Å; L97-Y108 HydrophobicContact CD2-CD1 4.07Å; L97-Y108 HydrophobicContact CD2-CE1 4.37Å; L97-Y108 HydrophobicContact CG-CD1 4.27Å; K98-Y108 WeakPolarHBondContact O-CA 3.31Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.38Å; W106-Y108 HydrophobicContact CB-CD2 4.26Å; W106-Y108 HydrophobicContact CB-CE2 3.53Å; W106-Y108 HydrophobicContact CG-CE2 4.39Å; Y108-E117 VanDerWaalsContact O-CA 3.28Å; Y108-E117 WeakPolarHBondContact O-CA 3.44Å; Y108-F118 AromaticContact CD2-CE2 3.88Å; Y108-F118 HydrophobicContact CD2-CE2 3.88Å; Y108-F118 AromaticContact CD2-CZ 3.97Å; Y108-F118 HydrophobicContact CD2-CZ 3.97Å; Y108-F118 HydrophobicContact CG-CE2 4.45Å; Y108-F118 HydrophobicContact CG-CZ 4.11Å; Y108-F118 PolarHBondContact N-O 2.82Å; Y108-F118 PolarHBondContact O-N 3.47Å; Y108-F118 VanDerWaalsContact O-N 3.1Å; Y108-V142 HydrophobicContact CD1-CG2 3.66Å; Y108-V142 HydrophobicContact CD2-CG2 3.5Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.5Å; Y108-V142 HydrophobicContact CE1-CG2 3.54Å; Y108-V142 HydrophobicContact CE2-CG2 3.37Å; Y108-V142 HydrophobicContact CG-CG2 3.63Å; Y108-W163 AromaticContact CE1-NE1 3.58Å; Y108-W163 AromaticContact CZ-NE1 3.77Å; Y108-W163 PolarHBondContact OH-NE1 3.07Å
109	E	96.6	Very high	93.4	Very high	53 Å²	53	61.9 Å²	61.9	25%	0.248	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.4	174.6	-58.4	169.5	-154.3	0	0	108.9	K98 I100 S111 E117	K98-E109 HydrophobicContact CB-CB 4.23Å; K98-E109 HydrophobicContact CD-CB 4.43Å; K98-E109 WeakPolarHBondContact CD-OE2 3.22Å; K98-E109 PolarHBondContact N-O 3.27Å; K98-E109 IonicContact NZ-OE1 2.75Å; K98-E109 PolarHBondContact NZ-OE1 3.34Å; K98-E109 IonicContact NZ-OE2 3.76Å; K98-E109 PolarHBondContact NZ-OE2 3.49Å; K98-E109 PolarHBondContact O-N 2.93Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.41Å; E109-S111 PolarHBondContact O-N 2.88Å; E109-E117 HydrophobicContact CG-CB 4.16Å
110	Y	95.3	Very high	93.4	Very high	26 Å²	26	62.1 Å²	62.1	10%	0.102	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	92.5	168	-59.6	-90.5	0	0	0	109.5	L97 D112 F113 I116 F118 V143 L144	L97-Y110 HydrophobicContact CD1-CD1 3.88Å; L97-Y110 HydrophobicContact CD1-CE1 3.77Å; L97-Y110 HydrophobicContact CD1-CG 4.34Å; Y110-D112 PolarHBondContact O-N 3.26Å; Y110-D112 VanDerWaalsContact O-N 3.17Å; Y110-F113 PolarHBondContact O-N 2.99Å; Y110-I116 HydrophobicContact CD2-CB 3.99Å; Y110-I116 HydrophobicContact CD2-CG2 3.55Å; Y110-I116 HydrophobicContact CE2-CG2 4.04Å; Y110-I116 PolarHBondContact N-O 2.83Å; Y110-F118 HydrophobicContact CD2-CE1 4.31Å; Y110-F118 HydrophobicContact CE2-CD1 4.36Å; Y110-F118 AromaticContact CE2-CE1 3.53Å; Y110-F118 HydrophobicContact CE2-CE1 3.53Å; Y110-F118 HydrophobicContact CE2-CZ 4.39Å; Y110-V143 WeakPolarHBondContact CE1-O 3.48Å; Y110-V143 PolarHBondContact OH-N 3.02Å; Y110-V143 PolarHBondContact OH-O 3.12Å; Y110-V143 VanDerWaalsContact OH-O 3.04Å; Y110-L144 HydrophobicContact CE1-CD2 4.06Å
111	S	84.9	Confident	93.4	Very high	67 Å²	67	65.6 Å²	65.6	47%	0.469	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.2	-170.8	57	0	0	0	0	114.7	T96 E109 F113	T96-S111 WeakPolarHBondContact CB-OG 3.46Å; T96-S111 WeakPolarHBondContact CG2-OG 3.3Å; E109-S111 PolarHBondContact O-N 2.88Å; S111-F113 VanDerWaalsContact C-N 3.29Å
112	D	87.8	Confident	93.3	Very high	85 Å²	85	67.3 Å²	67.3	46%	0.455	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.1	-176.9	-58.6	-19.2	0	0	0	112.6	V95 T96 Y110	V95-D112 WeakPolarHBondContact CA-OD2 3.25Å; T96-D112 PolarHBondContact N-OD2 3.22Å; Y110-D112 PolarHBondContact O-N 3.26Å; Y110-D112 VanDerWaalsContact O-N 3.17Å
113	F	89.6	Confident	93.3	Very high	115 Å²	115	67.8 Å²	67.8	50%	0.504	33%	0.332	S	S	.	.	S	Bend	trans	-113.1	155.8	178.3	-58.4	-84.6	0	0	0	110.7	V95 Y110 S111 N115 I116	V95-F113 HydrophobicContact CG1-CE2 4.47Å; Y110-F113 PolarHBondContact O-N 2.99Å; S111-F113 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 3.42Å; F113-N115 VanDerWaalsContact O-N 3.13Å; F113-I116 HydrophobicContact CB-CD1 3.71Å; F113-I116 HydrophobicContact CB-CG1 4.14Å; F113-I116 HydrophobicContact CG-CD1 4.25Å
114	N	84.8	Confident	93.3	Very high	161 Å²	161	66.5 Å²	66.5	86%	0.861	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	111.2	-179.6	-77.1	-15.8	0	0	0	111.3	I116	N114-I116 PolarHBondContact O-N 3.38Å
115	N	80.3	Confident	93.4	Very high	160 Å²	160	66.1 Å²	66.1	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	45.5	167.5	-63.7	-2.7	0	0	0	115	F113	F113-N115 PolarHBondContact O-N 3.42Å; F113-N115 VanDerWaalsContact O-N 3.13Å
116	I	93.1	Very high	93.3	Very high	81 Å²	81	71.6 Å²	71.6	42%	0.415	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	99.8	169.8	-50.3	-178.7	0	0	0	108.3	Y110 F113 N114	Y110-I116 HydrophobicContact CD2-CB 3.99Å; Y110-I116 HydrophobicContact CD2-CG2 3.55Å; Y110-I116 HydrophobicContact CE2-CG2 4.04Å; Y110-I116 PolarHBondContact N-O 2.83Å; F113-I116 HydrophobicContact CB-CD1 3.71Å; F113-I116 HydrophobicContact CB-CG1 4.14Å; F113-I116 HydrophobicContact CG-CD1 4.25Å; N114-I116 PolarHBondContact O-N 3.38Å
117	E	95.5	Very high	93.2	Very high	147 Å²	147	78.3 Å²	78.3	69%	0.687	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	144	173.2	66.5	-174.8	177.3	0	0	110.1	Y108 E109	Y108-E117 VanDerWaalsContact O-CA 3.28Å; Y108-E117 WeakPolarHBondContact O-CA 3.44Å; E109-E117 HydrophobicContact CG-CB 4.16Å
118	F	96.8	Very high	93	Very high	44 Å²	44	79.4 Å²	79.4	19%	0.193	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	156.3	175.9	64.8	-79.6	0	0	0	111.1	S107 Y108 Y110 N140 V142	S107-F118 WeakPolarHBondContact CA-O 3.4Å; Y108-F118 AromaticContact CD2-CE2 3.88Å; Y108-F118 HydrophobicContact CD2-CE2 3.88Å; Y108-F118 AromaticContact CD2-CZ 3.97Å; Y108-F118 HydrophobicContact CD2-CZ 3.97Å; Y108-F118 HydrophobicContact CG-CE2 4.45Å; Y108-F118 HydrophobicContact CG-CZ 4.11Å; Y108-F118 PolarHBondContact N-O 2.82Å; Y108-F118 PolarHBondContact O-N 3.47Å; Y108-F118 VanDerWaalsContact O-N 3.1Å; Y110-F118 HydrophobicContact CD2-CE1 4.31Å; Y110-F118 HydrophobicContact CE2-CD1 4.36Å; Y110-F118 AromaticContact CE2-CE1 3.53Å; Y110-F118 HydrophobicContact CE2-CE1 3.53Å; Y110-F118 HydrophobicContact CE2-CZ 4.39Å; F118-N140 HydrophobicContact CD2-CB 3.44Å; F118-N140 VanDerWaalsContact CD2-CB 3.44Å; F118-N140 HydrophobicContact CE2-CB 3.79Å; F118-N140 HydrophobicContact CG-CB 4.48Å; F118-V142 HydrophobicContact CZ-CG2 4.18Å
119	D	97.6	Very high	92.8	Very high	60 Å²	60	86.6 Å²	86.6	32%	0.321	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.9	173.2	-64	-20.2	0	0	0	110.6	Y105 W106 S107 Y121 N140	Y105-D119 HydrophobicContact CD2-CB 4.01Å; Y105-D119 HydrophobicContact CE2-CB 4.06Å; W106-D119 CarbonylContact O-C 3.5Å; W106-D119 WeakPolarHBondContact O-CA 3.02Å; S107-D119 WeakPolarHBondContact CB-OD1 3.33Å; S107-D119 PolarHBondContact OG-OD1 3.41Å; D119-Y121 HydrophobicContact CB-CD2 4.09Å; D119-Y121 HydrophobicContact CB-CE2 3.49Å; D119-Y121 VanDerWaalsContact CB-CE2 3.49Å; D119-N140 WeakPolarHBondContact O-CB 3.5Å; D119-N140 PolarHBondContact O-ND2 3.19Å
120	S	97.1	Very high	92.6	Very high	6 Å²	6	90.9 Å²	90.9	4%	0.042	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.5	-179.7	172.8	0	0	0	0	109	W106 V138 D139 N140	W106-S120 PolarHBondContact N-O 3.24Å; W106-S120 PolarHBondContact O-N 2.88Å; S120-V138 WeakPolarHBondContact OG-CB 3.48Å; S120-D139 WeakPolarHBondContact CA-OD1 3.47Å; S120-N140 WeakPolarHBondContact CB-O 3.34Å; S120-N140 PolarHBondContact OG-O 2.97Å
121	Y	96.7	Very high	92.4	Very high	93 Å²	93	96.3 Å²	96.3	37%	0.365	50%	0.504	S	S	.	.			trans	-108.5	148.4	177.5	-68.6	-92.5	0	0	0	110.9	Y105 D119 I123 V138 D139	Y105-Y121 VanDerWaalsContact CB-CD1 3.5Å; Y105-Y121 VanDerWaalsContact CB-CE1 3.42Å; Y105-Y121 HydrophobicContact CD1-CD1 4.36Å; Y105-Y121 AromaticContact CD1-CE1 3.43Å; Y105-Y121 HydrophobicContact CD1-CE1 3.43Å; Y105-Y121 VanDerWaalsContact CD1-CE1 3.43Å; Y105-Y121 AromaticContact CD1-CZ 3.63Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.34Å; Y105-Y121 HydrophobicContact CD2-CE1 4.08Å; Y105-Y121 HydrophobicContact CD2-CE2 4.01Å; Y105-Y121 AromaticContact CD2-CZ 3.64Å; Y105-Y121 HydrophobicContact CE1-CE1 4.17Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.31Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.45Å; Y105-Y121 HydrophobicContact CE2-CE2 4.48Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.21Å; Y105-Y121 HydrophobicContact CG-CD1 4.01Å; Y105-Y121 AromaticContact CG-CE1 3.38Å; Y105-Y121 HydrophobicContact CG-CE1 3.38Å; Y105-Y121 HydrophobicContact CG-CE2 4.14Å; Y105-Y121 AromaticContact CG-CZ 3.43Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.43Å; D119-Y121 HydrophobicContact CB-CD2 4.09Å; D119-Y121 HydrophobicContact CB-CE2 3.49Å; D119-Y121 VanDerWaalsContact CB-CE2 3.49Å; Y121-I123 PolarHBondContact O-N 2.93Å; Y121-V138 CarbonylContact O-C 3.53Å; Y121-V138 WeakPolarHBondContact O-CA 3.38Å; Y121-V138 WeakPolarHBondContact O-CB 3.07Å; Y121-D139 PolarHBondContact N-OD1 3.02Å; Y121-D139 PolarHBondContact O-N 3.47Å
122	M	96.1	Very high	92.7	Very high	36 Å²	36	94.3 Å²	94.3	18%	0.177	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-63.6	133.8	169.6	-169.9	-175.6	68.1	0	0	110.6	P124 L135 D206 P208	M122-P124 WeakPolarHBondContact O-CD 3.26Å; M122-L135 HydrophobicContact CE-CD2 4.09Å; M122-L135 HydrophobicContact SD-CB 4.28Å; M122-L135 HydrophobicContact SD-CD2 3.64Å; M122-D206 WeakPolarHBondContact CB-O 3.44Å; M122-D206 HydrophobicContact CE-CB 3.54Å; M122-D206 VanDerWaalsContact SD-CA 3.58Å; M122-D206 HydrophobicContact SD-CB 3.87Å; M122-P208 HydrophobicContact CB-CG 4.23Å; M122-P208 HydrophobicContact CG-CG 4.05Å
123	I	95.6	Very high	92.9	Very high	45 Å²	45	94 Å²	94	23%	0.231	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-71.4	124	173.6	-61.4	176.2	0	0	0	109.1	Y121 E127 L128 D137 V138 D139	Y121-I123 PolarHBondContact O-N 2.93Å; I123-E127 HydrophobicContact CG2-CB 4.05Å; I123-L128 HydrophobicContact CB-CD2 4.01Å; I123-L128 HydrophobicContact CG2-CD2 3.91Å; I123-L128 HydrophobicContact CG2-CG 4.09Å; I123-D137 HydrophobicContact CD1-CB 4.27Å; I123-D137 PolarHBondContact N-O 3.39Å; I123-V138 WeakPolarHBondContact CD1-O 3.33Å; I123-D139 HydrophobicContact CG1-CB 4.47Å
124	P	94.5	Very high	93.1	Very high	59 Å²	59	96 Å²	96	38%	0.383	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-57.9	145.2	176.6	-24.4	34.2	0	0	0	111.8	M122 N126 E127 L128	M122-P124 WeakPolarHBondContact O-CD 3.26Å; P124-N126 PolarHBondContact O-N 2.88Å; P124-E127 PolarHBondContact O-N 3.44Å; P124-L128 PolarHBondContact O-N 2.99Å
125	T	92.4	Very high	93.5	Very high	74 Å²	74	89.9 Å²	89.9	45%	0.454	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.8	-175	-57.4	0	0	0	0	113.7	E127 L128 R134	T125-E127 VanDerWaalsContact C-N 3.29Å; T125-E127 PolarHBondContact O-N 3.32Å; T125-L128 HydrophobicContact CG2-CD1 4.27Å; T125-R134 HydrophobicContact CG2-CG 4.21Å
126	N	93.8	Very high	94.2	Very high	163 Å²	163	83.5 Å²	83.5	87%	0.872	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17	178.1	-60.9	-15.7	0	0	0	113.5	P124	P124-N126 PolarHBondContact O-N 2.88Å
127	E	94.1	Very high	94.3	Very high	143 Å²	143	80.2 Å²	80.2	67%	0.668	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-5.4	-178.3	-64.2	176.3	-162.6	0	0	112.1	I123 P124 T125 M129	I123-E127 HydrophobicContact CG2-CB 4.05Å; P124-E127 PolarHBondContact O-N 3.44Å; T125-E127 VanDerWaalsContact C-N 3.29Å; T125-E127 PolarHBondContact O-N 3.32Å; E127-M129 PolarHBondContact O-N 3.49Å
128	L	94.1	Very high	94.3	Very high	38 Å²	38	74.1 Å²	74.1	20%	0.199	38%	0.381	C	S	.	.			trans	-62.8	135	177.4	-78.1	168	0	0	0	111.1	I123 P124 T125 R134 D137	I123-L128 HydrophobicContact CB-CD2 4.01Å; I123-L128 HydrophobicContact CG2-CD2 3.91Å; I123-L128 HydrophobicContact CG2-CG 4.09Å; P124-L128 PolarHBondContact O-N 2.99Å; T125-L128 HydrophobicContact CG2-CD1 4.27Å; L128-R134 HydrophobicContact CD1-CB 4.23Å; L128-R134 HydrophobicContact CD1-CG 4.36Å; L128-D137 HydrophobicContact CD2-CB 4.1Å
129	M	93.1	Very high	94.2	Very high	163 Å²	163	75.9 Å²	75.9	80%	0.803	39%	0.393	S	S	*	.			trans	-67.4	161.7	167.6	-62.1	-173.7	-178.1	0	0	110.6	E127 D131 G132	E127-M129 PolarHBondContact O-N 3.49Å; M129-D131 PolarHBondContact O-N 3.23Å; M129-D131 VanDerWaalsContact O-N 3.12Å; M129-G132 PolarHBondContact O-N 2.99Å
130	T	91.1	Very high	94.2	Very high	142 Å²	142	76.5 Å²	76.5	87%	0.871	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.9	-178.7	48.9	0	0	0	0	114
131	D	91.2	Very high	94.2	Very high	141 Å²	141	81.6 Å²	81.6	75%	0.754	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.1	-178.7	-56	-19.3	0	0	0	112.4	M129	M129-D131 PolarHBondContact O-N 3.23Å; M129-D131 VanDerWaalsContact O-N 3.12Å
132	G	91.1	Very high	94.2	Very high	24 Å²	24	79.2 Å²	79.2	25%	0.247	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-77.6	147.2	-178.2	0	0	0	0	0	112.8	M129 D137	M129-G132 PolarHBondContact O-N 2.99Å; G132-D137 WeakPolarHBondContact CA-OD2 3.29Å
133	F	93.2	Very high	94.1	Very high	78 Å²	78	82.7 Å²	82.7	34%	0.342	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-92.3	117.8	176.4	-62.7	-70.7	0	0	0	110.9	M1 L135 L136 D137 Y193	M1-F133 HydrophobicContact CE-CD1 4.15Å; M1-F133 HydrophobicContact CE-CE1 3.37Å; M1-F133 HydrophobicContact CE-CE2 4.18Å; M1-F133 HydrophobicContact CE-CZ 3.38Å; M1-F133 HydrophobicContact SD-CD1 3.93Å; M1-F133 HydrophobicContact SD-CD2 4.19Å; M1-F133 HydrophobicContact SD-CE1 3.71Å; M1-F133 HydrophobicContact SD-CE2 3.95Å; M1-F133 HydrophobicContact SD-CG 4.18Å; M1-F133 HydrophobicContact SD-CZ 3.71Å; F133-L135 PolarHBondContact O-N 3.48Å; F133-L136 HydrophobicContact CB-CB 3.61Å; F133-L136 HydrophobicContact CB-CD1 4.03Å; F133-L136 HydrophobicContact CB-CG 4.44Å; F133-L136 PolarHBondContact O-N 3.25Å; F133-L136 VanDerWaalsContact O-N 3.15Å; F133-D137 PolarHBondContact N-OD2 3.42Å; F133-D137 PolarHBondContact O-N 2.98Å; F133-D137 VanDerWaalsContact O-N 3.1Å; F133-Y193 HydrophobicContact CD2-CE2 4.45Å; F133-Y193 AromaticContact CD2-CZ 3.97Å
134	R	93.3	Very high	94.2	Very high	157 Å²	157	82.3 Å²	82.3	59%	0.592	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	132.6	175.5	-165	-171.8	65.1	86.6	3.2	110.8	T125 L128 L136	T125-R134 HydrophobicContact CG2-CG 4.21Å; L128-R134 HydrophobicContact CD1-CB 4.23Å; L128-R134 HydrophobicContact CD1-CG 4.36Å; R134-L136 PolarHBondContact O-N 3.26Å
135	L	93.1	Very high	94.2	Very high	34 Å²	34	82.3 Å²	82.3	18%	0.178	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	10	-177.5	-52.5	180	0	0	0	115.7	M122 F133 P208	M122-L135 HydrophobicContact CE-CD2 4.09Å; M122-L135 HydrophobicContact SD-CB 4.28Å; M122-L135 HydrophobicContact SD-CD2 3.64Å; F133-L135 PolarHBondContact O-N 3.48Å; L135-P208 WeakPolarHBondContact O-CB 3.45Å; L135-P208 WeakPolarHBondContact O-CG 3.28Å
136	L	94.3	Very high	94.3	Very high	25 Å²	25	83.3 Å²	83.3	13%	0.131	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-38.6	-171.9	-89	177.9	0	0	0	113.2	F133 R134 Y193 H195	F133-L136 HydrophobicContact CB-CB 3.61Å; F133-L136 HydrophobicContact CB-CD1 4.03Å; F133-L136 HydrophobicContact CB-CG 4.44Å; F133-L136 PolarHBondContact O-N 3.25Å; F133-L136 VanDerWaalsContact O-N 3.15Å; R134-L136 PolarHBondContact O-N 3.26Å; L136-Y193 HydrophobicContact CB-CD1 4.03Å; L136-Y193 HydrophobicContact CB-CE1 4.36Å; L136-Y193 HydrophobicContact CD2-CD1 4.01Å; L136-Y193 HydrophobicContact CD2-CG 4.15Å; L136-H195 WeakPolarHBondContact CD2-CE1 3.2Å; L136-H195 VanDerWaalsContact CD2-ND1 3.31Å; L136-H195 WeakPolarHBondContact CD2-ND1 3.48Å
137	D	94.9	Very high	94.4	Very high	12 Å²	12	80.1 Å²	80.1	6%	0.064	41%	0.414	C	S	.	.			trans	-76.2	138.3	178.6	-85.1	-43.6	0	0	0	112	I123 L128 G132 F133 R141 Y193	I123-D137 HydrophobicContact CD1-CB 4.27Å; I123-D137 PolarHBondContact N-O 3.39Å; L128-D137 HydrophobicContact CD2-CB 4.1Å; G132-D137 WeakPolarHBondContact CA-OD2 3.29Å; F133-D137 PolarHBondContact N-OD2 3.42Å; F133-D137 PolarHBondContact O-N 2.98Å; F133-D137 VanDerWaalsContact O-N 3.1Å; D137-R141 IonicContact OD1-CZ 2.63Å; D137-R141 IonicContact OD1-NE 3.98Å; D137-R141 IonicContact OD1-NH2 3.6Å; D137-R141 PolarHBondContact OD1-NH2 3.29Å; D137-Y193 PolarHBondContact OD1-OH 3.24Å
138	V	96.5	Very high	94.4	Very high	20 Å²	20	74.3 Å²	74.3	12%	0.121	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-114.7	156.7	177	-62.7	0	0	0	0	110.5	S120 Y121 I123 R141 P208	S120-V138 WeakPolarHBondContact OG-CB 3.48Å; Y121-V138 CarbonylContact O-C 3.53Å; Y121-V138 WeakPolarHBondContact O-CA 3.38Å; Y121-V138 WeakPolarHBondContact O-CB 3.07Å; I123-V138 WeakPolarHBondContact CD1-O 3.33Å; V138-R141 HydrophobicContact CG2-CG 3.78Å; V138-P208 HydrophobicContact CG1-CG 3.77Å
139	D	95.5	Very high	94.3	Very high	80 Å²	80	74.8 Å²	74.8	43%	0.428	39%	0.391	S	S	.	.	S	Bend	trans	-64.9	-45.5	176.2	61.5	-11.9	0	0	0	112.2	S120 Y121 I123	S120-D139 WeakPolarHBondContact CA-OD1 3.47Å; Y121-D139 PolarHBondContact N-OD1 3.02Å; Y121-D139 PolarHBondContact O-N 3.47Å; I123-D139 HydrophobicContact CG1-CB 4.47Å
140	N	96.4	Very high	94.4	Very high	74 Å²	74	67 Å²	67	40%	0.396	35%	0.352	S	S	.	.	S	Bend	trans	-121.8	111	-178.9	-61.1	-62.6	0	0	0	110.6	F118 D119 S120	F118-N140 HydrophobicContact CD2-CB 3.44Å; F118-N140 VanDerWaalsContact CD2-CB 3.44Å; F118-N140 HydrophobicContact CE2-CB 3.79Å; F118-N140 HydrophobicContact CG-CB 4.48Å; D119-N140 WeakPolarHBondContact O-CB 3.5Å; D119-N140 PolarHBondContact O-ND2 3.19Å; S120-N140 WeakPolarHBondContact CB-O 3.34Å; S120-N140 PolarHBondContact OG-O 2.97Å
141	R	96.6	Very high	94.6	Very high	113 Å²	113	63.4 Å²	63.4	43%	0.426	32%	0.323	S	S	.	.			trans	-84.5	142.4	179.3	-65.5	174.9	176.3	163.8	-2.4	111.3	D137 V138 V143 L191	D137-R141 IonicContact OD1-CZ 2.63Å; D137-R141 IonicContact OD1-NE 3.98Å; D137-R141 IonicContact OD1-NH2 3.6Å; D137-R141 PolarHBondContact OD1-NH2 3.29Å; V138-R141 HydrophobicContact CG2-CG 3.78Å; R141-V143 PolarHBondContact O-N 3.37Å; R141-L191 VanDerWaalsContact NH1-CD1 3.3Å
142	V	96.6	Very high	94.8	Very high	42 Å²	42	56.7 Å²	56.7	26%	0.255	29%	0.287	S	S	.	.			trans	-70	128.2	167.6	-171	0	0	0	0	109.7	L97 Y108 F118 L144	L97-V142 HydrophobicContact CD1-CG1 4.1Å; L97-V142 HydrophobicContact CD2-CG1 3.6Å; Y108-V142 HydrophobicContact CD1-CG2 3.66Å; Y108-V142 HydrophobicContact CD2-CG2 3.5Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.5Å; Y108-V142 HydrophobicContact CE1-CG2 3.54Å; Y108-V142 HydrophobicContact CE2-CG2 3.37Å; Y108-V142 HydrophobicContact CG-CG2 3.63Å; F118-V142 HydrophobicContact CZ-CG2 4.18Å; V142-L144 HydrophobicContact CG1-CD1 4.17Å; V142-L144 HydrophobicContact CG1-CD2 4.42Å; V142-L144 HydrophobicContact CG1-CG 3.98Å
143	V	96.1	Very high	95.1	Very high	110 Å²	110	56.8 Å²	56.8	67%	0.667	28%	0.282	S	S	*	.			trans	-112.1	118.8	179.7	-178.7	0	0	0	0	108.4	Y110 R141	Y110-V143 WeakPolarHBondContact CE1-O 3.48Å; Y110-V143 PolarHBondContact OH-N 3.02Å; Y110-V143 PolarHBondContact OH-O 3.12Å; Y110-V143 VanDerWaalsContact OH-O 3.04Å; R141-V143 PolarHBondContact O-N 3.37Å
144	L	95.8	Very high	95.2	Very high	37 Å²	37	53.1 Å²	53.1	19%	0.194	27%	0.265	C	S	.	.			trans	-126.6	144.7	-178.4	-67.7	168.5	0	0	0	111.2	L97 Y110 V142 M146 I150 F184 I186	L97-L144 HydrophobicContact CB-CD2 4.4Å; L97-L144 HydrophobicContact CD2-CD1 4.26Å; L97-L144 HydrophobicContact CD2-CD2 4.37Å; Y110-L144 HydrophobicContact CE1-CD2 4.06Å; V142-L144 HydrophobicContact CG1-CD1 4.17Å; V142-L144 HydrophobicContact CG1-CD2 4.42Å; V142-L144 HydrophobicContact CG1-CG 3.98Å; L144-M146 PolarHBondContact O-N 3.29Å; L144-I150 HydrophobicContact CB-CD1 3.85Å; L144-I150 HydrophobicContact CD1-CD1 4.23Å; L144-I150 HydrophobicContact CD1-CG2 4.38Å; L144-I150 HydrophobicContact CD2-CD1 4.45Å; L144-I150 HydrophobicContact CD2-CG2 4.16Å; L144-I150 HydrophobicContact CG-CD1 4.4Å; L144-F184 HydrophobicContact CD1-CE2 4.04Å; L144-F184 HydrophobicContact CD1-CZ 3.74Å; L144-I186 HydrophobicContact CB-CD1 3.98Å; L144-I186 HydrophobicContact CD1-CD1 4.48Å
145	P	95.3	Very high	95.4	Very high	59 Å²	59	46.6 Å²	46.6	38%	0.383	24%	0.243	S	C	.	.			trans	-70.8	128.4	177.2	22.4	-25.9	0	0	0	111.9	V95 S148	V95-P145 HydrophobicContact CG2-CG 3.91Å; P145-S148 WeakPolarHBondContact CG-OG 3.44Å; P145-S148 PolarHBondContact O-OG 2.96Å
146	M	95.4	Very high	95.6	Very high	95 Å²	95	45.2 Å²	45.2	47%	0.468	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	161.3	169	72.3	176.1	-172.5	0	0	111.4	L144 S148 I186 P189	L144-M146 PolarHBondContact O-N 3.29Å; M146-S148 PolarHBondContact O-N 3.09Å; M146-I186 HydrophobicContact CB-CG2 4.35Å; M146-P189 HydrophobicContact SD-CB 3.97Å; M146-P189 HydrophobicContact SD-CG 4.08Å
147	N	94.9	Very high	95.7	Very high	96 Å²	96	47 Å²	47	51%	0.513	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	30.2	179	-61.8	-33	0	0	0	114.8	F185 I186	N147-F185 VanDerWaalsContact C-CZ 3.48Å; N147-F185 HydrophobicContact CB-CZ 4.08Å; N147-I186 PolarHBondContact N-O 3.47Å
148	S	93.3	Very high	95.6	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.14	27%	0.267	C	S	.	.	S	Bend	trans	-138.3	152.9	-178.6	78.9	0	0	0	0	110	S94 P145 M146 F185	S94-S148 WeakPolarHBondContact OG-CB 3.37Å; P145-S148 WeakPolarHBondContact CG-OG 3.44Å; P145-S148 PolarHBondContact O-OG 2.96Å; M146-S148 PolarHBondContact O-N 3.09Å; S148-F185 WeakPolarHBondContact O-CD2 3.38Å
149	Q	93.9	Very high	95.5	Very high	49 Å²	49	50.7 Å²	50.7	23%	0.229	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.5	-176.7	-150.8	68.1	-62.8	0	0	109.5	N91 P93 S94 F184 F185	N91-Q149 HydrophobicContact CB-CG 3.75Å; N91-Q149 PolarHBondContact ND2-NE2 2.97Å; N91-Q149 VanDerWaalsContact ND2-NE2 3.18Å; P93-Q149 CarbonylContact C-O 3.54Å; P93-Q149 WeakPolarHBondContact CA-O 3.29Å; S94-Q149 PolarHBondContact N-O 2.95Å; S94-Q149 PolarHBondContact OG-N 3.35Å; S94-Q149 PolarHBondContact OG-O 3.35Å; S94-Q149 VanDerWaalsContact OG-O 3.05Å; Q149-F184 PolarHBondContact OE1-O 3.18Å; Q149-F185 VanDerWaalsContact OE1-CD2 3.3Å
150	I	94.8	Very high	95.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129	-173.3	-61.7	151.4	0	0	0	108.3	V95 L144 N183 F184 I186	V95-I150 WeakPolarHBondContact O-CA 3.28Å; L144-I150 HydrophobicContact CB-CD1 3.85Å; L144-I150 HydrophobicContact CD1-CD1 4.23Å; L144-I150 HydrophobicContact CD1-CG2 4.38Å; L144-I150 HydrophobicContact CD2-CD1 4.45Å; L144-I150 HydrophobicContact CD2-CG2 4.16Å; L144-I150 HydrophobicContact CG-CD1 4.4Å; I150-N183 CarbonylContact O-C 3.57Å; I150-N183 VanDerWaalsContact O-CA 3.3Å; I150-N183 WeakPolarHBondContact O-CA 3.35Å; I150-F184 HydrophobicContact CB-CD2 4.31Å; I150-F184 HydrophobicContact CB-CE1 4.47Å; I150-F184 HydrophobicContact CB-CE2 3.95Å; I150-F184 HydrophobicContact CB-CZ 4.04Å; I150-F184 HydrophobicContact CD1-CD2 4.31Å; I150-F184 HydrophobicContact CD1-CE2 3.71Å; I150-F184 HydrophobicContact CD1-CZ 4.37Å; I150-F184 HydrophobicContact CG1-CE2 4.47Å; I150-F184 HydrophobicContact CG2-CE1 4.03Å; I150-F184 HydrophobicContact CG2-CE2 4.04Å; I150-F184 HydrophobicContact CG2-CZ 3.63Å; I150-F184 PolarHBondContact N-O 3.05Å; I150-F184 PolarHBondContact O-N 3.02Å; I150-I186 HydrophobicContact CD1-CD1 3.83Å; I150-I186 HydrophobicContact CD1-CG1 4.13Å
151	R	95.3	Very high	95.3	Very high	65 Å²	65	47.1 Å²	47.1	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.3	167	178.1	-176.7	-69	164.5	1.5	108.3	P93 V95 T96 L97 L153 Q181	P93-R151 HydrophobicContact CB-CB 3.62Å; P93-R151 HydrophobicContact CG-CB 3.85Å; V95-R151 PolarHBondContact O-N 3.47Å; T96-R151 CarbonylContact C-O 3.59Å; T96-R151 WeakPolarHBondContact CA-O 3.4Å; T96-R151 HydrophobicContact CG2-CB 4.42Å; T96-R151 HydrophobicContact CG2-CG 4.3Å; L97-R151 PolarHBondContact N-O 3.38Å; R151-L153 HydrophobicContact CG-CD2 4.36Å; R151-L153 HydrophobicContact CG-CG 4.5Å; R151-Q181 HydrophobicContact CG-CG 3.72Å
152	I	95.1	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.6	167.1	-169.6	175.1	0	0	0	110.6	L97 V154 W163 Q181 T182 F184	L97-I152 HydrophobicContact CD2-CD1 4.23Å; L97-I152 HydrophobicContact CD2-CG1 4.42Å; L97-I152 CarbonylContact O-C 3.37Å; L97-I152 VanDerWaalsContact O-CA 3.24Å; L97-I152 WeakPolarHBondContact O-CA 2.98Å; I152-V154 HydrophobicContact CD1-CG2 3.92Å; I152-V154 HydrophobicContact CG1-CG2 3.85Å; I152-V154 HydrophobicContact CG2-CG2 4.43Å; I152-W163 HydrophobicContact CD1-CD2 3.44Å; I152-W163 VanDerWaalsContact CD1-CD2 3.44Å; I152-W163 VanDerWaalsContact CD1-CE2 3.49Å; I152-W163 HydrophobicContact CD1-CE3 3.51Å; I152-W163 HydrophobicContact CD1-CG 4.1Å; I152-W163 HydrophobicContact CD1-CH2 3.68Å; I152-W163 HydrophobicContact CD1-CZ2 3.62Å; I152-W163 HydrophobicContact CD1-CZ3 3.63Å; I152-Q181 WeakPolarHBondContact O-CA 3.14Å; I152-T182 HydrophobicContact CG2-CG2 3.27Å; I152-T182 PolarHBondContact N-O 3.21Å; I152-T182 PolarHBondContact O-N 3.06Å; I152-F184 HydrophobicContact CB-CE1 3.86Å; I152-F184 HydrophobicContact CG2-CD1 4.05Å; I152-F184 HydrophobicContact CG2-CE1 3.73Å
153	L	96.3	Very high	95.1	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.6	173.4	-61.1	173.4	0	0	0	108	T96 L97 K98 S99 R151 M179 N180 Q181	T96-L153 HydrophobicContact CG2-CD1 3.68Å; T96-L153 HydrophobicContact CG2-CG 4.06Å; L97-L153 PolarHBondContact O-N 3.37Å; K98-L153 CarbonylContact C-O 3.53Å; K98-L153 VanDerWaalsContact CA-O 3.32Å; K98-L153 WeakPolarHBondContact CA-O 3.23Å; K98-L153 HydrophobicContact CB-CB 4.35Å; K98-L153 HydrophobicContact CG-CB 4.26Å; S99-L153 PolarHBondContact N-O 3.46Å; R151-L153 HydrophobicContact CG-CD2 4.36Å; R151-L153 HydrophobicContact CG-CG 4.5Å; L153-M179 HydrophobicContact CB-CG 4.02Å; L153-M179 HydrophobicContact CB-SD 4.11Å; L153-M179 HydrophobicContact CD1-SD 3.79Å; L153-M179 HydrophobicContact CD2-CG 4.15Å; L153-M179 HydrophobicContact CD2-SD 4.04Å; L153-M179 HydrophobicContact CG-SD 4.2Å; L153-N180 CarbonylContact C-O 3.53Å; L153-N180 VanDerWaalsContact CA-O 3.31Å; L153-N180 WeakPolarHBondContact CA-O 3.47Å; L153-Q181 HydrophobicContact CD2-CB 3.76Å; L153-Q181 HydrophobicContact CD2-CG 3.77Å
154	V	97.1	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.4	-176.8	-169.6	0	0	0	0	109.6	S99 W106 I152 W163 V172 N180	S99-V154 WeakPolarHBondContact O-CA 3.33Å; W106-V154 HydrophobicContact CH2-CG1 4.21Å; W106-V154 HydrophobicContact CZ3-CG1 4.24Å; I152-V154 HydrophobicContact CD1-CG2 3.92Å; I152-V154 HydrophobicContact CG1-CG2 3.85Å; I152-V154 HydrophobicContact CG2-CG2 4.43Å; V154-W163 HydrophobicContact CG1-CB 3.72Å; V154-W163 HydrophobicContact CG2-CB 3.95Å; V154-W163 HydrophobicContact CG2-CG 4.41Å; V154-V172 HydrophobicContact CB-CB 4.4Å; V154-V172 HydrophobicContact CB-CG1 3.97Å; V154-V172 HydrophobicContact CG2-CB 4.04Å; V154-V172 HydrophobicContact CG2-CG1 4.03Å; V154-N180 PolarHBondContact N-O 2.87Å; V154-N180 PolarHBondContact O-N 3.37Å
155	T	97.4	Very high	95.2	Very high	20 Å²	20	34.5 Å²	34.5	12%	0.123	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	178	174.9	-171.5	0	0	0	0	109.7	S99 I100 G101 R178	S99-T155 PolarHBondContact O-N 3.44Å; I100-T155 WeakPolarHBondContact CA-O 3.38Å; I100-T155 HydrophobicContact CB-CG2 4.41Å; I100-T155 HydrophobicContact CG1-CG2 3.89Å; I100-T155 HydrophobicContact CG2-CG2 4.28Å; G101-T155 PolarHBondContact N-O 3.2Å; T155-R178 PolarHBondContact OG1-O 2.84Å
156	A	96.2	Very high	95.1	Very high	6 Å²	6	35.5 Å²	35.5	5%	0.05	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.2	175.8	0	0	0	0	0	111.2	G101 V159 H161 G174 P176	G101-A156 WeakPolarHBondContact O-CA 3.35Å; A156-V159 WeakPolarHBondContact CB-O 3.49Å; A156-H161 HydrophobicContact CB-CB 4.1Å; A156-G174 WeakPolarHBondContact CB-O 3.38Å; A156-P176 HydrophobicContact CB-CG 4.01Å; A156-P176 WeakPolarHBondContact O-CA 3.3Å
157	A	95.8	Very high	95.1	Very high	62 Å²	62	31.1 Å²	31.1	51%	0.512	17%	0.169	S	C	.	.	S	Bend	trans	-95.3	-21	177.5	0	0	0	0	0	113.3	I100 G101 H102	I100-A157 HydrophobicContact CG2-CB 4.13Å; G101-A157 PolarHBondContact O-N 3.2Å; H102-A157 WeakPolarHBondContact CE1-CB 3.37Å
158	D	93.4	Very high	95.1	Very high	59 Å²	59	26.9 Å²	26.9	32%	0.316	15%	0.147	S	C	.	.	S	Bend	trans	-128.8	-83.1	-173.4	46.8	35.6	0	0	0	114.2	H102 Q103 H161 P176	H102-D158 WeakPolarHBondContact CA-OD2 3.47Å; Q103-D158 PolarHBondContact N-OD2 3.36Å; D158-H161 IonicContact OD1-CD2 2.83Å; D158-H161 PolarHBondContact OD1-CD2 3.11Å; D158-H161 IonicContact OD1-CE1 2.82Å; D158-H161 IonicContact OD1-NE2 3.46Å; D158-H161 PolarHBondContact OD1-NE2 3.2Å; D158-P176 WeakPolarHBondContact O-CG 3.37Å
159	V	94.6	Very high	95.2	Very high	51 Å²	51	27.3 Å²	27.3	31%	0.309	16%	0.155	S	C	.	.	S	Bend	trans	-101	-170	179.1	-63.5	0	0	0	0	110.8	Q103 A156 H161 P176 C200	Q103-V159 HydrophobicContact CG-CG2 4.09Å; A156-V159 WeakPolarHBondContact CB-O 3.49Å; V159-H161 WeakPolarHBondContact CG2-NE2 3.41Å; V159-H161 PolarHBondContact O-CD2 3.48Å; V159-P176 VanDerWaalsContact O-CD 3.22Å; V159-P176 WeakPolarHBondContact O-CD 3.35Å; V159-P176 WeakPolarHBondContact O-CG 3.45Å; V159-C200 HydrophobicContact CG2-CB 3.74Å
160	I	93.8	Very high	95.2	Very high	79 Å²	79	25.5 Å²	25.5	41%	0.405	15%	0.147	S	C	.	.			trans	-79.4	136	173.5	-59	178.1	0	0	0	108.8	T175 W196 E198	I160-T175 HydrophobicContact CG1-CG2 4.46Å; I160-W196 WeakPolarHBondContact O-CH2 3.33Å; I160-E198 HydrophobicContact CB-CG 4.35Å; I160-E198 HydrophobicContact CG2-CG 3.81Å
161	H	93.2	Very high	95.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160.8	179.9	-72.1	-101.6	0	0	0	113	H102 W106 A156 D158 V159 D173 G174 W196	H102-H161 PolarHBondContact O-CE1 3.43Å; W106-H161 HydrophobicContact CH2-CB 4.15Å; A156-H161 HydrophobicContact CB-CB 4.1Å; D158-H161 IonicContact OD1-CD2 2.83Å; D158-H161 PolarHBondContact OD1-CD2 3.11Å; D158-H161 IonicContact OD1-CE1 2.82Å; D158-H161 IonicContact OD1-NE2 3.46Å; D158-H161 PolarHBondContact OD1-NE2 3.2Å; V159-H161 WeakPolarHBondContact CG2-NE2 3.41Å; V159-H161 PolarHBondContact O-CD2 3.48Å; H161-D173 CarbonylContact O-C 3.55Å; H161-D173 WeakPolarHBondContact O-CA 3.41Å; H161-G174 PolarHBondContact N-O 3.4Å; H161-G174 PolarHBondContact O-N 3.25Å; H161-W196 HydrophobicContact CB-CH2 3.42Å; H161-W196 VanDerWaalsContact CB-CH2 3.42Å; H161-W196 HydrophobicContact CB-CZ2 3.02Å; H161-W196 AromaticContact CE1-CH2 3.68Å; H161-W196 AromaticContact CE1-CZ2 3.84Å; H161-W196 AromaticContact CG-CH2 3.19Å; H161-W196 AromaticContact CG-CZ2 3.07Å; H161-W196 AromaticContact ND1-CE2 3.89Å; H161-W196 AromaticContact ND1-CH2 2.98Å; H161-W196 WeakPolarHBondContact ND1-CH2 3.38Å; H161-W196 AromaticContact ND1-CZ2 2.77Å; H161-W196 WeakPolarHBondContact ND1-CZ2 3.05Å
162	S	94.5	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	110.2	175.8	-165.7	0	0	0	0	112.1	K171 D173 W196	S162-K171 WeakPolarHBondContact OG-CE 3.47Å; S162-D173 VanDerWaalsContact CB-OD1 3.26Å; S162-D173 WeakPolarHBondContact CB-OD1 3.38Å; S162-D173 PolarHBondContact OG-OD1 3.38Å; S162-W196 PolarHBondContact O-NE1 2.95Å
163	W	96.3	Very high	95.3	Very high	16 Å²	16	31.6 Å²	31.6	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.4	178	-167.7	88.5	0	0	0	109.2	W106 Y108 I152 V154 V165 V170 K171 V172 F184	W106-W163 HydrophobicContact CH2-CB 3.59Å; W106-W163 AromaticContact CH2-CD1 3.97Å; W106-W163 HydrophobicContact CH2-CG 4.23Å; W106-W163 HydrophobicContact CZ2-CB 3.9Å; W106-W163 AromaticContact CZ2-CD1 3.9Å; W106-W163 HydrophobicContact CZ2-CG 4.32Å; W106-W163 HydrophobicContact CZ3-CB 4.27Å; Y108-W163 AromaticContact CE1-NE1 3.58Å; Y108-W163 AromaticContact CZ-NE1 3.77Å; Y108-W163 PolarHBondContact OH-NE1 3.07Å; I152-W163 HydrophobicContact CD1-CD2 3.44Å; I152-W163 VanDerWaalsContact CD1-CD2 3.44Å; I152-W163 VanDerWaalsContact CD1-CE2 3.49Å; I152-W163 HydrophobicContact CD1-CE3 3.51Å; I152-W163 HydrophobicContact CD1-CG 4.1Å; I152-W163 HydrophobicContact CD1-CH2 3.68Å; I152-W163 HydrophobicContact CD1-CZ2 3.62Å; I152-W163 HydrophobicContact CD1-CZ3 3.63Å; V154-W163 HydrophobicContact CG1-CB 3.72Å; V154-W163 HydrophobicContact CG2-CB 3.95Å; V154-W163 HydrophobicContact CG2-CG 4.41Å; W163-V165 HydrophobicContact CE3-CG2 4.41Å; W163-V165 HydrophobicContact CH2-CB 4.26Å; W163-V165 HydrophobicContact CH2-CG2 3.47Å; W163-V165 VanDerWaalsContact CH2-CG2 3.47Å; W163-V165 HydrophobicContact CZ2-CG2 3.67Å; W163-V165 HydrophobicContact CZ3-CB 4.38Å; W163-V165 HydrophobicContact CZ3-CG2 3.86Å; W163-V170 HydrophobicContact CE3-CG1 3.95Å; W163-V170 HydrophobicContact CZ3-CB 4.07Å; W163-V170 HydrophobicContact CZ3-CG1 3.67Å; W163-K171 WeakPolarHBondContact O-CA 3.49Å; W163-V172 PolarHBondContact N-O 3.11Å; W163-V172 PolarHBondContact O-N 3.39Å; W163-F184 HydrophobicContact CH2-CE1 4.23Å; W163-F184 HydrophobicContact CH2-CZ 4.32Å; W163-F184 HydrophobicContact CZ3-CE1 4.37Å
164	T	95.8	Very high	95.2	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.1	-172.8	-57.1	0	0	0	0	111.4	V170 K171 G194 H195 S197	T164-V170 CarbonylContact C-O 3.5Å; T164-V170 VanDerWaalsContact CA-O 3.32Å; T164-V170 WeakPolarHBondContact CA-O 3.44Å; T164-K171 HydrophobicContact CG2-CB 4.02Å; T164-K171 HydrophobicContact CG2-CG 4.4Å; T164-K171 WeakPolarHBondContact OG1-CG 3.39Å; T164-G194 WeakPolarHBondContact O-CA 2.9Å; T164-H195 WeakPolarHBondContact CB-O 3.07Å; T164-H195 PolarHBondContact O-N 2.68Å; T164-S197 WeakPolarHBondContact OG1-CB 3.33Å; T164-S197 PolarHBondContact OG1-OG 3.47Å
165	V	96.5	Very high	95.1	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	99.7	170.4	-177	0	0	0	0	108.8	W163 A167 L168 G169 V170 F192	W163-V165 HydrophobicContact CE3-CG2 4.41Å; W163-V165 HydrophobicContact CH2-CB 4.26Å; W163-V165 HydrophobicContact CH2-CG2 3.47Å; W163-V165 VanDerWaalsContact CH2-CG2 3.47Å; W163-V165 HydrophobicContact CZ2-CG2 3.67Å; W163-V165 HydrophobicContact CZ3-CB 4.38Å; W163-V165 HydrophobicContact CZ3-CG2 3.86Å; V165-A167 PolarHBondContact O-N 3.06Å; V165-L168 HydrophobicContact CB-CB 4.37Å; V165-L168 HydrophobicContact CB-CD1 4.14Å; V165-L168 HydrophobicContact CB-CG 4.4Å; V165-L168 HydrophobicContact CG1-CB 4.21Å; V165-L168 HydrophobicContact CG1-CD1 3.81Å; V165-L168 HydrophobicContact CG1-CG 3.82Å; V165-L168 PolarHBondContact O-N 3.46Å; V165-G169 PolarHBondContact O-N 3.27Å; V165-V170 PolarHBondContact N-O 3.17Å; V165-V170 PolarHBondContact O-N 3.34Å; V165-F192 HydrophobicContact CG1-CB 3.81Å
166	H	94.1	Very high	95	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.375	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-58.2	-41.9	-171.5	-65.1	88.9	0	0	0	113.7	L168 G169	H166-L168 PolarHBondContact O-N 3.27Å; H166-G169 PolarHBondContact O-N 3.38Å
167	A	95.3	Very high	94.9	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.017	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64.6	-23.9	180	0	0	0	0	0	113	A13 V165 F192	A13-A167 HydrophobicContact CB-CB 4.35Å; A13-A167 PolarHBondContact N-O 2.87Å; V165-A167 PolarHBondContact O-N 3.06Å; A167-F192 HydrophobicContact CB-CD1 3.76Å; A167-F192 HydrophobicContact CB-CE1 4.48Å; A167-F192 HydrophobicContact CB-CG 4.48Å
168	L	95.6	Very high	94.9	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-90.9	-9.6	175.4	-62.3	177.1	0	0	0	112.6	A13 S14 V165 H166 V170 F184 I186	A13-L168 HydrophobicContact CB-CD2 3.87Å; S14-L168 PolarHBondContact OG-O 3.45Å; V165-L168 HydrophobicContact CB-CB 4.37Å; V165-L168 HydrophobicContact CB-CD1 4.14Å; V165-L168 HydrophobicContact CB-CG 4.4Å; V165-L168 HydrophobicContact CG1-CB 4.21Å; V165-L168 HydrophobicContact CG1-CD1 3.81Å; V165-L168 HydrophobicContact CG1-CG 3.82Å; V165-L168 PolarHBondContact O-N 3.46Å; H166-L168 PolarHBondContact O-N 3.27Å; L168-V170 VanDerWaalsContact C-N 3.27Å; L168-V170 HydrophobicContact CB-CG2 4.02Å; L168-F184 HydrophobicContact CD1-CD2 3.98Å; L168-F184 HydrophobicContact CD1-CE2 3.87Å; L168-F184 HydrophobicContact CD1-CZ 4.48Å; L168-I186 HydrophobicContact CD1-CG1 4.49Å; L168-I186 HydrophobicContact CD2-CG1 3.88Å
169	G	94.8	Very high	95	Very high	29 Å²	29	44.8 Å²	44.8	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	24.9	-175	0	0	0	0	0	113.1	V165 H166	V165-G169 PolarHBondContact O-N 3.27Å; H166-G169 PolarHBondContact O-N 3.38Å
170	V	94.4	Very high	95	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.6	-176.6	-177.5	0	0	0	0	110	W163 T164 V165 L168 V172 T182 F184	W163-V170 HydrophobicContact CE3-CG1 3.95Å; W163-V170 HydrophobicContact CZ3-CB 4.07Å; W163-V170 HydrophobicContact CZ3-CG1 3.67Å; T164-V170 CarbonylContact C-O 3.5Å; T164-V170 VanDerWaalsContact CA-O 3.32Å; T164-V170 WeakPolarHBondContact CA-O 3.44Å; V165-V170 PolarHBondContact N-O 3.17Å; V165-V170 PolarHBondContact O-N 3.34Å; L168-V170 VanDerWaalsContact C-N 3.27Å; L168-V170 HydrophobicContact CB-CG2 4.02Å; V170-V172 HydrophobicContact CG1-CG2 4.1Å; V170-T182 HydrophobicContact CG1-CG2 3.68Å; V170-F184 HydrophobicContact CG2-CB 3.7Å; V170-F184 HydrophobicContact CG2-CD1 3.98Å; V170-F184 HydrophobicContact CG2-CG 4Å
171	K	95.8	Very high	95	Very high	113 Å²	113	44.4 Å²	44.4	49%	0.491	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	120	166.7	171.5	169	180	-179.3	0	108.1	S162 W163 T164 S197	S162-K171 WeakPolarHBondContact OG-CE 3.47Å; W163-K171 WeakPolarHBondContact O-CA 3.49Å; T164-K171 HydrophobicContact CG2-CB 4.02Å; T164-K171 HydrophobicContact CG2-CG 4.4Å; T164-K171 WeakPolarHBondContact OG1-CG 3.39Å; K171-S197 VanDerWaalsContact CE-CB 3.5Å; K171-S197 PolarHBondContact NZ-O 3.47Å; K171-S197 VanDerWaalsContact NZ-O 3.08Å
172	V	95.1	Very high	95	Very high	18 Å²	18	46.1 Å²	46.1	11%	0.109	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	128.8	179.5	-177.7	0	0	0	0	110.2	V154 W163 V170 N180 T182	V154-V172 HydrophobicContact CB-CB 4.4Å; V154-V172 HydrophobicContact CB-CG1 3.97Å; V154-V172 HydrophobicContact CG2-CB 4.04Å; V154-V172 HydrophobicContact CG2-CG1 4.03Å; W163-V172 PolarHBondContact N-O 3.11Å; W163-V172 PolarHBondContact O-N 3.39Å; V170-V172 HydrophobicContact CG1-CG2 4.1Å; V172-N180 HydrophobicContact CG1-CB 3.48Å; V172-N180 VanDerWaalsContact CG1-CB 3.48Å; V172-T182 HydrophobicContact CG2-CG2 3.4Å; V172-T182 VanDerWaalsContact CG2-CG2 3.4Å
173	D	94.9	Very high	94.9	Very high	61 Å²	61	46.9 Å²	46.9	33%	0.326	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.1	178.2	-56.6	-25.3	0	0	0	110.7	H161 S162 N180	H161-D173 CarbonylContact O-C 3.55Å; H161-D173 WeakPolarHBondContact O-CA 3.41Å; S162-D173 VanDerWaalsContact CB-OD1 3.26Å; S162-D173 WeakPolarHBondContact CB-OD1 3.38Å; S162-D173 PolarHBondContact OG-OD1 3.38Å; D173-N180 PolarHBondContact O-ND2 3.06Å
174	G	94.4	Very high	94.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.9	164.8	0	0	0	0	0	109.5	A156 H161	A156-G174 WeakPolarHBondContact CB-O 3.38Å; H161-G174 PolarHBondContact N-O 3.4Å; H161-G174 PolarHBondContact O-N 3.25Å
175	T	95.4	Very high	94.8	Very high	43 Å²	43	48.1 Å²	48.1	26%	0.264	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-112.1	133.8	177.5	-55.5	0	0	0	0	109.4	I160 G177 R178	I160-T175 HydrophobicContact CG1-CG2 4.46Å; T175-G177 PolarHBondContact O-N 3.46Å; T175-R178 PolarHBondContact O-N 3.22Å
176	P	95.4	Very high	94.8	Very high	53 Å²	53	48.1 Å²	48.1	34%	0.344	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-55.9	129.7	176.7	-23.6	33.2	0	0	0	111.2	A156 D158 V159 R178	A156-P176 HydrophobicContact CB-CG 4.01Å; A156-P176 WeakPolarHBondContact O-CA 3.3Å; D158-P176 WeakPolarHBondContact O-CG 3.37Å; V159-P176 VanDerWaalsContact O-CD 3.22Å; V159-P176 WeakPolarHBondContact O-CD 3.35Å; V159-P176 WeakPolarHBondContact O-CG 3.45Å; P176-R178 VanDerWaalsContact C-N 3.31Å; P176-R178 PolarHBondContact O-N 3.14Å
177	G	94	Very high	94.8	Very high	88 Å²	88	47 Å²	47	91%	0.907	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	5	-178.4	0	0	0	0	0	115.5	T175	T175-G177 PolarHBondContact O-N 3.46Å
178	R	95.5	Very high	94.8	Very high	157 Å²	157	51.8 Å²	51.8	59%	0.592	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-131.7	133.7	174.2	178.7	176.4	170.8	169.4	-2.8	110.9	T155 T175 P176 N180	T155-R178 PolarHBondContact OG1-O 2.84Å; T175-R178 PolarHBondContact O-N 3.22Å; P176-R178 VanDerWaalsContact C-N 3.31Å; P176-R178 PolarHBondContact O-N 3.14Å; R178-N180 VanDerWaalsContact CZ-OD1 3.27Å; R178-N180 PolarHBondContact NE-OD1 3.28Å; R178-N180 PolarHBondContact NH2-OD1 3.19Å; R178-N180 VanDerWaalsContact NH2-OD1 3.1Å
179	M	95.1	Very high	94.9	Very high	111 Å²	111	56.3 Å²	56.3	55%	0.547	31%	0.309	S	S	.	.			trans	-101.7	108.9	173.9	-170.1	178.6	-67.9	0	0	109.1	L153	L153-M179 HydrophobicContact CB-CG 4.02Å; L153-M179 HydrophobicContact CB-SD 4.11Å; L153-M179 HydrophobicContact CD1-SD 3.79Å; L153-M179 HydrophobicContact CD2-CG 4.15Å; L153-M179 HydrophobicContact CD2-SD 4.04Å; L153-M179 HydrophobicContact CG-SD 4.2Å
180	N	95.7	Very high	94.9	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.15	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.8	173.4	-77.3	-33.3	0	0	0	110	L153 V154 V172 D173 R178	L153-N180 CarbonylContact C-O 3.53Å; L153-N180 VanDerWaalsContact CA-O 3.31Å; L153-N180 WeakPolarHBondContact CA-O 3.47Å; V154-N180 PolarHBondContact N-O 2.87Å; V154-N180 PolarHBondContact O-N 3.37Å; V172-N180 HydrophobicContact CG1-CB 3.48Å; V172-N180 VanDerWaalsContact CG1-CB 3.48Å; D173-N180 PolarHBondContact O-ND2 3.06Å; R178-N180 VanDerWaalsContact CZ-OD1 3.27Å; R178-N180 PolarHBondContact NE-OD1 3.28Å; R178-N180 PolarHBondContact NH2-OD1 3.19Å; R178-N180 VanDerWaalsContact NH2-OD1 3.1Å
181	Q	93.5	Very high	95	Very high	94 Å²	94	61.4 Å²	61.4	44%	0.439	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.3	-179.3	-177.1	-177.9	-45.5	0	0	109.8	R151 I152 L153	R151-Q181 HydrophobicContact CG-CG 3.72Å; I152-Q181 WeakPolarHBondContact O-CA 3.14Å; L153-Q181 HydrophobicContact CD2-CB 3.76Å; L153-Q181 HydrophobicContact CD2-CG 3.77Å
182	T	93.3	Very high	95	Very high	35 Å²	35	58.4 Å²	58.4	22%	0.215	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161	161.6	-169.8	0	0	0	0	110.1	I152 V170 V172	I152-T182 HydrophobicContact CG2-CG2 3.27Å; I152-T182 PolarHBondContact N-O 3.21Å; I152-T182 PolarHBondContact O-N 3.06Å; V170-T182 HydrophobicContact CG1-CG2 3.68Å; V172-T182 HydrophobicContact CG2-CG2 3.4Å; V172-T182 VanDerWaalsContact CG2-CG2 3.4Å
183	N	93.2	Very high	95	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.2	176.3	-61.3	-38.5	0	0	0	109.1	I150	I150-N183 CarbonylContact O-C 3.57Å; I150-N183 VanDerWaalsContact O-CA 3.3Å; I150-N183 WeakPolarHBondContact O-CA 3.35Å
184	F	93.4	Very high	94.9	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	162.7	171.7	63.9	-95	0	0	0	112	L144 Q149 I150 I152 W163 L168 V170 I186	L144-F184 HydrophobicContact CD1-CE2 4.04Å; L144-F184 HydrophobicContact CD1-CZ 3.74Å; Q149-F184 PolarHBondContact OE1-O 3.18Å; I150-F184 HydrophobicContact CB-CD2 4.31Å; I150-F184 HydrophobicContact CB-CE1 4.47Å; I150-F184 HydrophobicContact CB-CE2 3.95Å; I150-F184 HydrophobicContact CB-CZ 4.04Å; I150-F184 HydrophobicContact CD1-CD2 4.31Å; I150-F184 HydrophobicContact CD1-CE2 3.71Å; I150-F184 HydrophobicContact CD1-CZ 4.37Å; I150-F184 HydrophobicContact CG1-CE2 4.47Å; I150-F184 HydrophobicContact CG2-CE1 4.03Å; I150-F184 HydrophobicContact CG2-CE2 4.04Å; I150-F184 HydrophobicContact CG2-CZ 3.63Å; I150-F184 PolarHBondContact N-O 3.05Å; I150-F184 PolarHBondContact O-N 3.02Å; I152-F184 HydrophobicContact CB-CE1 3.86Å; I152-F184 HydrophobicContact CG2-CD1 4.05Å; I152-F184 HydrophobicContact CG2-CE1 3.73Å; W163-F184 HydrophobicContact CH2-CE1 4.23Å; W163-F184 HydrophobicContact CH2-CZ 4.32Å; W163-F184 HydrophobicContact CZ3-CE1 4.37Å; L168-F184 HydrophobicContact CD1-CD2 3.98Å; L168-F184 HydrophobicContact CD1-CE2 3.87Å; L168-F184 HydrophobicContact CD1-CZ 4.48Å; V170-F184 HydrophobicContact CG2-CB 3.7Å; V170-F184 HydrophobicContact CG2-CD1 3.98Å; V170-F184 HydrophobicContact CG2-CG 4Å; F184-I186 HydrophobicContact CD2-CG1 4.14Å; F184-I186 HydrophobicContact CE2-CD1 4.09Å; F184-I186 HydrophobicContact CE2-CG1 4.04Å
185	F	94.6	Very high	94.4	Very high	48 Å²	48	59.6 Å²	59.6	21%	0.211	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.4	178.9	-167.5	-94	0	0	0	109.8	S14 P15 N147 S148 Q149 N187	S14-F185 WeakPolarHBondContact CA-O 3.48Å; S14-F185 WeakPolarHBondContact CB-O 3.48Å; P15-F185 HydrophobicContact CG-CB 4.46Å; P15-F185 HydrophobicContact CG-CD1 4.08Å; N147-F185 VanDerWaalsContact C-CZ 3.48Å; N147-F185 HydrophobicContact CB-CZ 4.08Å; S148-F185 WeakPolarHBondContact O-CD2 3.38Å; Q149-F185 VanDerWaalsContact OE1-CD2 3.3Å; F185-N187 WeakPolarHBondContact CD1-OD1 3.38Å; F185-N187 WeakPolarHBondContact CE1-OD1 3.44Å
186	I	96.6	Very high	93.6	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.067	32%	0.323	C	S	.	.			trans	-110	112.9	175.9	-55.1	175.1	0	0	0	109.1	A13 L144 M146 N147 I150 L168 F184 R188 F192	A13-I186 WeakPolarHBondContact O-CA 3.5Å; L144-I186 HydrophobicContact CB-CD1 3.98Å; L144-I186 HydrophobicContact CD1-CD1 4.48Å; M146-I186 HydrophobicContact CB-CG2 4.35Å; N147-I186 PolarHBondContact N-O 3.47Å; I150-I186 HydrophobicContact CD1-CD1 3.83Å; I150-I186 HydrophobicContact CD1-CG1 4.13Å; L168-I186 HydrophobicContact CD1-CG1 4.49Å; L168-I186 HydrophobicContact CD2-CG1 3.88Å; F184-I186 HydrophobicContact CD2-CG1 4.14Å; F184-I186 HydrophobicContact CE2-CD1 4.09Å; F184-I186 HydrophobicContact CE2-CG1 4.04Å; I186-R188 WeakPolarHBondContact CG2-O 3.32Å; I186-F192 HydrophobicContact CG2-CE2 3.88Å
187	N	95.3	Very high	92.8	Very high	56 Å²	56	57.6 Å²	57.6	30%	0.299	32%	0.318	S	S	.	.			trans	-80	-23.6	-177.6	-78.9	-13.5	0	0	0	114.1	A13 P15 E18 F185	A13-N187 PolarHBondContact O-N 3.42Å; P15-N187 WeakPolarHBondContact CD-ND2 3.43Å; P15-N187 WeakPolarHBondContact CD-OD1 3.49Å; P15-N187 WeakPolarHBondContact CG-OD1 3.19Å; E18-N187 PolarHBondContact OE1-ND2 3.4Å; F185-N187 WeakPolarHBondContact CD1-OD1 3.38Å; F185-N187 WeakPolarHBondContact CE1-OD1 3.44Å
188	R	95.8	Very high	92.3	Very high	104 Å²	104	57 Å²	57	39%	0.392	29%	0.291	S	S	.	.	S	Bend	trans	-142.2	147.1	-172.6	67.5	-179.2	175	143.3	-5	112.1	D11 S12 A13 I186 F192	D11-R188 PolarHBondContact O-NH2 2.95Å; S12-R188 PolarHBondContact O-NE 3.01Å; S12-R188 VanDerWaalsContact O-NE 3.13Å; S12-R188 PolarHBondContact O-NH2 2.96Å; A13-R188 HydrophobicContact CB-CG 4.31Å; I186-R188 WeakPolarHBondContact CG2-O 3.32Å; R188-F192 HydrophobicContact CG-CZ 4Å; R188-F192 WeakPolarHBondContact O-CZ 3.39Å
189	P	96.7	Very high	91.8	Very high	103 Å²	103	55.8 Å²	55.8	67%	0.669	30%	0.295	S	S	*	.			trans	-70.9	149.8	173.5	31.3	-33.8	0	0	0	110.4	M146	M146-P189 HydrophobicContact SD-CB 3.97Å; M146-P189 HydrophobicContact SD-CG 4.08Å
190	G	95.7	Very high	91.2	Very high	55 Å²	55	50.7 Å²	50.7	57%	0.567	27%	0.27	S	S	*	.	S	Bend	trans	160.2	-178	176.6	0	0	0	0	0	113
191	L	95.6	Very high	91	Very high	91 Å²	91	51.5 Å²	51.5	48%	0.476	29%	0.285	S	S	.	.			trans	-100.8	119	169.9	-64.9	172.7	0	0	0	108.7	R141 Y193	R141-L191 VanDerWaalsContact NH1-CD1 3.3Å; L191-Y193 HydrophobicContact CB-CE2 3.88Å
192	F	96.3	Very high	90.7	Very high	51 Å²	51	51 Å²	51	22%	0.224	30%	0.297	C	S	.	.			trans	-110.2	125.6	176.4	-54	-67.9	0	0	0	108.6	A13 V165 A167 I186 R188	A13-F192 HydrophobicContact CB-CD1 3.83Å; A13-F192 HydrophobicContact CB-CE1 3.22Å; A13-F192 HydrophobicContact CB-CE2 4.09Å; A13-F192 HydrophobicContact CB-CG 4.49Å; A13-F192 HydrophobicContact CB-CZ 3.37Å; V165-F192 HydrophobicContact CG1-CB 3.81Å; A167-F192 HydrophobicContact CB-CD1 3.76Å; A167-F192 HydrophobicContact CB-CE1 4.48Å; A167-F192 HydrophobicContact CB-CG 4.48Å; I186-F192 HydrophobicContact CG2-CE2 3.88Å; R188-F192 HydrophobicContact CG-CZ 4Å; R188-F192 WeakPolarHBondContact O-CZ 3.39Å
193	Y	95.5	Very high	90.4	Very high	26 Å²	26	52.6 Å²	52.6	10%	0.102	30%	0.304	C	S	.	.			trans	-101.9	136	-175.5	-66.4	-89.6	0	0	0	110.1	M1 F133 L136 D137 L191	M1-Y193 HydrophobicContact CB-CD2 3.91Å; F133-Y193 HydrophobicContact CD2-CE2 4.45Å; F133-Y193 AromaticContact CD2-CZ 3.97Å; L136-Y193 HydrophobicContact CB-CD1 4.03Å; L136-Y193 HydrophobicContact CB-CE1 4.36Å; L136-Y193 HydrophobicContact CD2-CD1 4.01Å; L136-Y193 HydrophobicContact CD2-CG 4.15Å; D137-Y193 PolarHBondContact OD1-OH 3.24Å; L191-Y193 HydrophobicContact CB-CE2 3.88Å
194	G	91.8	Very high	90.1	Very high	8 Å²	8	54.6 Å²	54.6	8%	0.082	31%	0.313	C	S	.	.			trans	-96.5	169	169.5	0	0	0	0	0	111.6	T164	T164-G194 WeakPolarHBondContact O-CA 2.9Å
195	H	84.5	Confident	89.8	Confident	70 Å²	70	57.8 Å²	57.8	32%	0.324	34%	0.335	S	S	.	.			trans	-148.2	159.3	159.2	-96.2	92.2	0	0	0	107.8	L136 T164 S197	L136-H195 WeakPolarHBondContact CD2-CE1 3.2Å; L136-H195 VanDerWaalsContact CD2-ND1 3.31Å; L136-H195 WeakPolarHBondContact CD2-ND1 3.48Å; T164-H195 WeakPolarHBondContact CB-O 3.07Å; T164-H195 PolarHBondContact O-N 2.68Å; H195-S197 PolarHBondContact O-OG 3.22Å
196	W	77.2	Confident	89.5	Confident	21 Å²	21	57.9 Å²	57.9	8%	0.08	34%	0.338	C	S	.	.			trans	-71.2	141.3	-180	-119.3	71.5	0	0	0	115	W106 I160 H161 S162 E198 C200 H204 M207	W106-W196 AromaticContact CE2-CD1 3.97Å; W106-W196 AromaticContact CE2-NE1 3.25Å; W106-W196 VanDerWaalsContact CE2-NE1 3.25Å; W106-W196 AromaticContact CZ2-CD1 3.89Å; W106-W196 AromaticContact CZ2-CE2 3.84Å; W106-W196 HydrophobicContact CZ2-CZ2 4.22Å; W106-W196 AromaticContact CZ2-NE1 2.96Å; W106-W196 AromaticContact NE1-CD1 3.52Å; W106-W196 AromaticContact NE1-NE1 3.22Å; I160-W196 WeakPolarHBondContact O-CH2 3.33Å; H161-W196 HydrophobicContact CB-CH2 3.42Å; H161-W196 VanDerWaalsContact CB-CH2 3.42Å; H161-W196 HydrophobicContact CB-CZ2 3.02Å; H161-W196 AromaticContact CE1-CH2 3.68Å; H161-W196 AromaticContact CE1-CZ2 3.84Å; H161-W196 AromaticContact CG-CH2 3.19Å; H161-W196 AromaticContact CG-CZ2 3.07Å; H161-W196 AromaticContact ND1-CE2 3.89Å; H161-W196 AromaticContact ND1-CH2 2.98Å; H161-W196 WeakPolarHBondContact ND1-CH2 3.38Å; H161-W196 AromaticContact ND1-CZ2 2.77Å; H161-W196 WeakPolarHBondContact ND1-CZ2 3.05Å; S162-W196 PolarHBondContact O-NE1 2.95Å; W196-E198 HydrophobicContact CZ3-CB 4.24Å; W196-E198 WeakPolarHBondContact CZ3-O 3.28Å; W196-C200 HydrophobicContact CE3-CB 4.34Å; W196-C200 HydrophobicContact CH2-CB 3.39Å; W196-C200 HydrophobicContact CZ3-CB 3.27Å; W196-C200 WeakPolarHBondContact CZ3-SG 3.23Å; W196-H204 AromaticContact CE3-CE1 3.64Å; W196-H204 AromaticContact CE3-ND1 3.39Å; W196-H204 AromaticContact CZ3-ND1 3.93Å; W196-M207 VanDerWaalsContact CD1-O 3.29Å; W196-M207 HydrophobicContact CD2-CE 3.22Å; W196-M207 HydrophobicContact CE3-CE 3.64Å; W196-M207 HydrophobicContact CG-CE 3.63Å; W196-M207 HydrophobicContact CG-CG 4.19Å; W196-M207 HydrophobicContact CH2-CE 3.27Å; W196-M207 HydrophobicContact CZ2-CE 3.03Å; W196-M207 HydrophobicContact CZ3-CE 3.69Å; W196-M207 VanDerWaalsContact NE1-CE 3.3Å
197	S	79.4	Confident	89.2	Confident	33 Å²	33	57.5 Å²	57.5	23%	0.231	34%	0.336	C	S	.	.			trans	-134.1	16.8	-166.6	-63.4	0	0	0	0	115.3	T164 K171 H195	T164-S197 WeakPolarHBondContact OG1-CB 3.33Å; T164-S197 PolarHBondContact OG1-OG 3.47Å; K171-S197 VanDerWaalsContact CE-CB 3.5Å; K171-S197 PolarHBondContact NZ-O 3.47Å; K171-S197 VanDerWaalsContact NZ-O 3.08Å; H195-S197 PolarHBondContact O-OG 3.22Å
198	E	82.9	Confident	88.9	Confident	76 Å²	76	55.8 Å²	55.8	36%	0.355	33%	0.328	S	S	.	.	S	Bend	trans	-141.7	154.8	173	-173.1	50	-126.7	0	0	109.9	I160 W196 H204	I160-E198 HydrophobicContact CB-CG 4.35Å; I160-E198 HydrophobicContact CG2-CG 3.81Å; W196-E198 HydrophobicContact CZ3-CB 4.24Å; W196-E198 WeakPolarHBondContact CZ3-O 3.28Å; E198-H204 PolarHBondContact O-CE1 3.44Å; E198-H204 PolarHBondContact O-ND1 2.97Å
199	I	86.5	Confident	88.5	Confident	130 Å²	130	53.4 Å²	53.4	67%	0.667	33%	0.325	S	S	*	.			trans	-83.5	127.3	-175.8	-173.6	165.6	0	0	0	113
200	C	82.4	Confident	88.1	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.034	31%	0.307	C	S	.	.			trans	-129	9.7	-176.9	60.9	0	0	0	0	117.2	Q103 W104 V159 W196 M207	Q103-C200 PolarHBondContact NE2-O 2.94Å; W104-C200 PolarHBondContact NE1-O 3.22Å; V159-C200 HydrophobicContact CG2-CB 3.74Å; W196-C200 HydrophobicContact CE3-CB 4.34Å; W196-C200 HydrophobicContact CH2-CB 3.39Å; W196-C200 HydrophobicContact CZ3-CB 3.27Å; W196-C200 WeakPolarHBondContact CZ3-SG 3.23Å; C200-M207 HydrophobicContact CB-CE 4.37Å; C200-M207 WeakPolarHBondContact SG-CE 3.42Å; C200-M207 VanDerWaalsContact SG-SD 3.65Å
201	G	90.5	Very high	87.7	Confident	45 Å²	45	50.6 Å²	50.6	46%	0.464	29%	0.292	S	S	.	.	S	Bend	trans	116.8	-149.5	175.3	0	0	0	0	0	113.9	N203 H204	G201-N203 PolarHBondContact O-N 3.12Å; G201-H204 VanDerWaalsContact O-CB 3.31Å; G201-H204 WeakPolarHBondContact O-CB 3.46Å; G201-H204 PolarHBondContact O-N 3.18Å
202	A	86.8	Confident	87.2	Confident	83 Å²	83	48.2 Å²	48.2	69%	0.686	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-44.5	-164.5	0	0	0	0	0	114.3	W104 H204	W104-A202 HydrophobicContact CH2-CB 4.07Å; W104-A202 HydrophobicContact CZ2-CB 3.79Å; A202-H204 VanDerWaalsContact C-N 3.34Å
203	N	87.6	Confident	86.6	Confident	68 Å²	68	48 Å²	48	36%	0.364	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	33.5	-178.2	-60.6	-12.3	0	0	0	111.8	W104 G201 S205 D206	W104-N203 HydrophobicContact CB-CB 3.93Å; W104-N203 HydrophobicContact CD2-CB 3.58Å; W104-N203 HydrophobicContact CE3-CB 3.94Å; W104-N203 HydrophobicContact CG-CB 3.57Å; G201-N203 PolarHBondContact O-N 3.12Å; N203-S205 PolarHBondContact O-N 3Å; N203-D206 HydrophobicContact CB-CB 4.19Å; N203-D206 PolarHBondContact O-N 3.26Å
204	H	87.1	Confident	86	Confident	60 Å²	60	49.5 Å²	49.5	28%	0.278	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.2	-179.9	166.2	56.3	0	0	0	113.5	W196 E198 G201 A202 D206	W196-H204 AromaticContact CE3-CE1 3.64Å; W196-H204 AromaticContact CE3-ND1 3.39Å; W196-H204 AromaticContact CZ3-ND1 3.93Å; E198-H204 PolarHBondContact O-CE1 3.44Å; E198-H204 PolarHBondContact O-ND1 2.97Å; G201-H204 VanDerWaalsContact O-CB 3.31Å; G201-H204 WeakPolarHBondContact O-CB 3.46Å; G201-H204 PolarHBondContact O-N 3.18Å; A202-H204 VanDerWaalsContact C-N 3.34Å; H204-D206 VanDerWaalsContact C-N 3.32Å
205	S	86.4	Confident	85.6	Confident	67 Å²	67	52.4 Å²	52.4	47%	0.469	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.1	177.9	54.7	0	0	0	0	114.8	N203	N203-S205 PolarHBondContact O-N 3Å
206	D	89.6	Confident	85.7	Confident	51 Å²	51	51.1 Å²	51.1	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-116	32.5	-159.8	-65.5	-1.4	0	0	0	111.7	M122 N203 H204	M122-D206 WeakPolarHBondContact CB-O 3.44Å; M122-D206 HydrophobicContact CE-CB 3.54Å; M122-D206 VanDerWaalsContact SD-CA 3.58Å; M122-D206 HydrophobicContact SD-CB 3.87Å; N203-D206 HydrophobicContact CB-CB 4.19Å; N203-D206 PolarHBondContact O-N 3.26Å; H204-D206 VanDerWaalsContact C-N 3.32Å
207	M	88.9	Confident	86.4	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.02	33%	0.331	C	S	.	.			trans	-142.8	70.4	-179.3	51.4	-170	-117.9	0	0	111.4	W104 W196 C200	W104-M207 HydrophobicContact CB-CB 4.44Å; W104-M207 HydrophobicContact CB-SD 3.56Å; W104-M207 VanDerWaalsContact CB-SD 3.56Å; W104-M207 VanDerWaalsContact CD1-SD 3.56Å; W104-M207 HydrophobicContact CG-SD 3.97Å; W196-M207 VanDerWaalsContact CD1-O 3.29Å; W196-M207 HydrophobicContact CD2-CE 3.22Å; W196-M207 HydrophobicContact CE3-CE 3.64Å; W196-M207 HydrophobicContact CG-CE 3.63Å; W196-M207 HydrophobicContact CG-CG 4.19Å; W196-M207 HydrophobicContact CH2-CE 3.27Å; W196-M207 HydrophobicContact CZ2-CE 3.03Å; W196-M207 HydrophobicContact CZ3-CE 3.69Å; W196-M207 VanDerWaalsContact NE1-CE 3.3Å; C200-M207 HydrophobicContact CB-CE 4.37Å; C200-M207 WeakPolarHBondContact SG-CE 3.42Å; C200-M207 VanDerWaalsContact SG-SD 3.65Å
208	P	88.9	Confident	87	Confident	21 Å²	21	55.5 Å²	55.5	14%	0.136	34%	0.34	C	S	.	.			trans	-69.2	0	-179.5	30.2	-33	0	0	0	114	M122 L135 V138	M122-P208 HydrophobicContact CB-CG 4.23Å; M122-P208 HydrophobicContact CG-CG 4.05Å; L135-P208 WeakPolarHBondContact O-CB 3.45Å; L135-P208 WeakPolarHBondContact O-CG 3.28Å; V138-P208 HydrophobicContact CG1-CG 3.77Å

Retrieved 208 of 208 residues in 336.5 ms (Link to these results)

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