A0A087Y962_POEFO Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession A0A087Y962, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 123 aa.

						>A0A087Y962_POEFO|A0A087Y962
MAALRASYHRILDRIEHILPAKLRPLYNHPAGPRTVFFWAPVFKWGLVMAGLADMARPADKLSTSQSAVLTATGLIWSRYSLVIIPKNWNLFAVNFFVGSAGASQLYRIWNYKQELKAKEAES
					

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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	60	Low	73.6	Confident	218 Å²	218	115.2 Å²	115.2	100%	1.074	59%	0.593	S	S	*	*				0	-44.9	0	-67.5	-124.9	-149.4	0	0	113.5	A3 L4 R5	M1-A3 PolarHBondContact O-N 3.4Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-R5 PolarHBondContact O-N 3.12Å
2	A	68.6	Low	73.6	Confident	83 Å²	83	107.7 Å²	107.7	69%	0.686	55%	0.554	S	S	*	*	H	α-helix	trans	-60.9	-41.8	-178.4	0	0	0	0	0	114.7	L4 R5 A6	A2-L4 PolarHBondContact O-N 3.34Å; A2-R5 PolarHBondContact O-N 3.34Å; A2-A6 WeakPolarHBondContact O-CB 3.32Å; A2-A6 PolarHBondContact O-N 3.34Å
3	A	73.2	Confident	73.4	Confident	80 Å²	80	105.6 Å²	105.6	66%	0.661	55%	0.545	S	S	*	.	H	α-helix	trans	-62.8	-40.8	178.5	0	0	0	0	0	112.8	M1 A6 S7	M1-A3 PolarHBondContact O-N 3.4Å; A3-A6 PolarHBondContact O-N 3.33Å; A3-S7 PolarHBondContact O-N 3.06Å; A3-S7 PolarHBondContact O-OG 3.06Å
4	L	74.8	Confident	73.6	Confident	138 Å²	138	111.4 Å²	111.4	72%	0.723	56%	0.556	S	S	*	*	H	α-helix	trans	-66.5	-39.7	-179.8	-131.2	134.6	0	0	0	111.7	M1 A2 S7 Y8	M1-L4 PolarHBondContact O-N 3.35Å; A2-L4 PolarHBondContact O-N 3.34Å; L4-S7 VanDerWaalsContact CA-OG 3.3Å; L4-S7 WeakPolarHBondContact CA-OG 3.47Å; L4-S7 PolarHBondContact O-OG 3.47Å; L4-Y8 WeakPolarHBondContact O-CB 3.44Å; L4-Y8 PolarHBondContact O-N 3.37Å
5	R	73.2	Confident	73.5	Confident	177 Å²	177	108.6 Å²	108.6	67%	0.668	54%	0.543	S	S	*	.	H	α-helix	trans	-65.6	-41.8	172.9	-174.2	178.9	177.7	-161.8	1.7	111.7	M1 A2 Y8 H9	M1-R5 PolarHBondContact O-N 3.12Å; A2-R5 PolarHBondContact O-N 3.34Å; R5-Y8 WeakPolarHBondContact O-CB 3.47Å; R5-Y8 PolarHBondContact O-N 3.19Å; R5-H9 PolarHBondContact O-CD2 3.39Å; R5-H9 PolarHBondContact O-N 3.04Å
6	A	74.8	Confident	73.2	Confident	38 Å²	38	104.8 Å²	104.8	31%	0.314	52%	0.523	S	S	.	.	H	α-helix	trans	-66.7	-40.1	178.3	0	0	0	0	0	112.5	A2 A3 R10	A2-A6 WeakPolarHBondContact O-CB 3.32Å; A2-A6 PolarHBondContact O-N 3.34Å; A3-A6 PolarHBondContact O-N 3.33Å; A6-R10 WeakPolarHBondContact O-CG 3.42Å; A6-R10 PolarHBondContact O-N 3.18Å; A6-R10 VanDerWaalsContact O-N 3.11Å
7	S	79.6	Confident	72.9	Confident	47 Å²	47	108 Å²	108	33%	0.329	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-38.5	173	43.1	0	0	0	0	112.4	A3 L4 R10 I11	A3-S7 PolarHBondContact O-N 3.06Å; A3-S7 PolarHBondContact O-OG 3.06Å; L4-S7 VanDerWaalsContact CA-OG 3.3Å; L4-S7 WeakPolarHBondContact CA-OG 3.47Å; L4-S7 PolarHBondContact O-OG 3.47Å; S7-R10 PolarHBondContact O-N 3.13Å; S7-I11 VanDerWaalsContact O-CG1 3.3Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 2.97Å; S7-I11 VanDerWaalsContact O-N 3.08Å
8	Y	74.4	Confident	73.2	Confident	118 Å²	118	109.4 Å²	109.4	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-60	-50.9	176.1	176.4	-104.8	0	0	0	111.8	L4 R5 R10 I11 L12 R34	L4-Y8 WeakPolarHBondContact O-CB 3.44Å; L4-Y8 PolarHBondContact O-N 3.37Å; R5-Y8 WeakPolarHBondContact O-CB 3.47Å; R5-Y8 PolarHBondContact O-N 3.19Å; Y8-R10 PolarHBondContact O-N 3Å; Y8-I11 PolarHBondContact O-N 2.68Å; Y8-L12 HydrophobicContact CD1-CD1 3.85Å; Y8-L12 HydrophobicContact CD2-CD1 4.44Å; Y8-L12 HydrophobicContact CE1-CD1 3.3Å; Y8-L12 HydrophobicContact CE1-CG 4.35Å; Y8-L12 HydrophobicContact CE2-CD1 3.96Å; Y8-L12 HydrophobicContact CE2-CG 4.31Å; Y8-L12 HydrophobicContact CG-CD1 4.4Å; Y8-L12 WeakPolarHBondContact O-CG 3.43Å; Y8-L12 PolarHBondContact O-N 3.25Å; Y8-L12 VanDerWaalsContact O-N 3.07Å; Y8-R34 PolarHBondContact OH-O 3.08Å
9	H	74.2	Confident	73.2	Confident	81 Å²	81	105.6 Å²	105.6	38%	0.375	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.8	-72.3	-64.8	0	0	0	112.1	R5 I11 L12 D13	R5-H9 PolarHBondContact O-CD2 3.39Å; R5-H9 PolarHBondContact O-N 3.04Å; H9-I11 VanDerWaalsContact C-N 3.32Å; H9-I11 PolarHBondContact O-N 3.38Å; H9-L12 PolarHBondContact O-N 3.48Å; H9-D13 PolarHBondContact O-N 3.5Å
10	R	78.2	Confident	73.3	Confident	180 Å²	180	104.3 Å²	104.3	68%	0.679	53%	0.525	S	S	*	.	H	α-helix	trans	-58.3	-39.6	176.7	-81.1	-175.9	-129.8	150.9	-0.3	114	A6 S7 Y8 R14	A6-R10 WeakPolarHBondContact O-CG 3.42Å; A6-R10 PolarHBondContact O-N 3.18Å; A6-R10 VanDerWaalsContact O-N 3.11Å; S7-R10 PolarHBondContact O-N 3.13Å; Y8-R10 PolarHBondContact O-N 3Å; R10-R14 PolarHBondContact O-N 3.26Å
11	I	78.8	Confident	73.2	Confident	107 Å²	107	102.8 Å²	102.8	55%	0.549	53%	0.529	S	S	.	.	H	α-helix	trans	-69.5	-44	178.6	-68.3	166.8	0	0	0	109.9	S7 Y8 H9 D13 R14 I15	S7-I11 VanDerWaalsContact O-CG1 3.3Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 2.97Å; S7-I11 VanDerWaalsContact O-N 3.08Å; Y8-I11 PolarHBondContact O-N 2.68Å; H9-I11 VanDerWaalsContact C-N 3.32Å; H9-I11 PolarHBondContact O-N 3.38Å; I11-D13 VanDerWaalsContact C-N 3.34Å; I11-D13 PolarHBondContact O-N 3.08Å; I11-R14 PolarHBondContact O-N 3.42Å; I11-I15 HydrophobicContact CG2-CD1 3.95Å; I11-I15 WeakPolarHBondContact O-CG1 3.45Å; I11-I15 PolarHBondContact O-N 3.02Å; I11-I15 VanDerWaalsContact O-N 3.07Å
12	L	73.6	Confident	73.7	Confident	25 Å²	25	101.6 Å²	101.6	13%	0.131	52%	0.517	C	S	.	.	H	α-helix	trans	-63.9	-36.6	178.2	-70.3	-177.8	0	0	0	113.3	Y8 H9 I15 E16 Y27 R34	Y8-L12 HydrophobicContact CD1-CD1 3.85Å; Y8-L12 HydrophobicContact CD2-CD1 4.44Å; Y8-L12 HydrophobicContact CE1-CD1 3.3Å; Y8-L12 HydrophobicContact CE1-CG 4.35Å; Y8-L12 HydrophobicContact CE2-CD1 3.96Å; Y8-L12 HydrophobicContact CE2-CG 4.31Å; Y8-L12 HydrophobicContact CG-CD1 4.4Å; Y8-L12 WeakPolarHBondContact O-CG 3.43Å; Y8-L12 PolarHBondContact O-N 3.25Å; Y8-L12 VanDerWaalsContact O-N 3.07Å; H9-L12 PolarHBondContact O-N 3.48Å; L12-I15 PolarHBondContact O-N 3.08Å; L12-E16 PolarHBondContact O-N 3.39Å; L12-E16 VanDerWaalsContact O-N 3.1Å; L12-Y27 WeakPolarHBondContact CD2-OH 3.44Å; L12-R34 HydrophobicContact CD2-CG 4.39Å; L12-R34 PolarHBondContact O-NH2 3.21Å
13	D	71.1	Confident	73.8	Confident	81 Å²	81	101.8 Å²	101.8	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-70.2	-36.8	178.3	-64.6	-22.3	0	0	0	111.2	H9 I11 E16 H17	H9-D13 PolarHBondContact O-N 3.5Å; I11-D13 VanDerWaalsContact C-N 3.34Å; I11-D13 PolarHBondContact O-N 3.08Å; D13-E16 PolarHBondContact O-N 3.42Å; D13-H17 PolarHBondContact O-N 3.42Å
14	R	75.5	Confident	73.6	Confident	187 Å²	187	102.7 Å²	102.7	71%	0.706	49%	0.493	S	S	*	.	H	α-helix	trans	-66.5	-38.6	174.9	-175.4	165.2	-79.9	-173.1	-6.3	112	R10 I11 E16 H17 I18	R10-R14 PolarHBondContact O-N 3.26Å; I11-R14 PolarHBondContact O-N 3.42Å; R14-E16 VanDerWaalsContact C-N 3.34Å; R14-H17 PolarHBondContact O-N 3.23Å; R14-I18 HydrophobicContact CG-CD1 4.12Å; R14-I18 WeakPolarHBondContact O-CD1 3.44Å; R14-I18 VanDerWaalsContact O-CG1 3.32Å; R14-I18 WeakPolarHBondContact O-CG1 2.96Å; R14-I18 PolarHBondContact O-N 3.41Å
15	I	73.1	Confident	73.4	Confident	69 Å²	69	100.6 Å²	100.6	35%	0.354	49%	0.488	S	S	.	.	H	α-helix	trans	-65.1	-38.9	174.9	-67.4	165.9	0	0	0	110.9	I11 L12 H17 I18 L19 Y27	I11-I15 HydrophobicContact CG2-CD1 3.95Å; I11-I15 WeakPolarHBondContact O-CG1 3.45Å; I11-I15 PolarHBondContact O-N 3.02Å; I11-I15 VanDerWaalsContact O-N 3.07Å; L12-I15 PolarHBondContact O-N 3.08Å; I15-H17 VanDerWaalsContact C-N 3.34Å; I15-H17 PolarHBondContact O-N 3.49Å; I15-I18 PolarHBondContact O-N 3.12Å; I15-L19 HydrophobicContact CG2-CD1 4.22Å; I15-L19 PolarHBondContact O-N 2.98Å; I15-Y27 HydrophobicContact CG2-CE2 4.32Å
16	E	68.1	Low	73.3	Confident	48 Å²	48	97.3 Å²	97.3	22%	0.224	48%	0.483	C	S	.	.	H	α-helix	trans	-62.7	-39.5	177.7	-171.7	164.3	-171.1	0	0	112.8	L12 D13 R14 L19 Y27 N28 R34	L12-E16 PolarHBondContact O-N 3.39Å; L12-E16 VanDerWaalsContact O-N 3.1Å; D13-E16 PolarHBondContact O-N 3.42Å; R14-E16 VanDerWaalsContact C-N 3.34Å; E16-L19 WeakPolarHBondContact O-CB 3.34Å; E16-L19 PolarHBondContact O-N 3.47Å; E16-Y27 HydrophobicContact CB-CD1 4.46Å; E16-Y27 HydrophobicContact CB-CE1 4.03Å; E16-Y27 HydrophobicContact CG-CD1 4.44Å; E16-Y27 HydrophobicContact CG-CE1 4.46Å; E16-N28 PolarHBondContact OE1-ND2 3.16Å; E16-R34 IonicContact OE2-CZ 3.25Å; E16-R34 VanDerWaalsContact OE2-CZ 3.25Å; E16-R34 IonicContact OE2-NH1 2.91Å; E16-R34 PolarHBondContact OE2-NH1 3.45Å; E16-R34 IonicContact OE2-NH2 2.7Å; E16-R34 PolarHBondContact OE2-NH2 3.36Å
17	H	68	Low	72.9	Confident	159 Å²	159	96.3 Å²	96.3	74%	0.736	47%	0.471	S	S	*	.	H	α-helix	trans	-69.6	-31.2	176.4	-88.9	-56.7	0	0	0	113.7	D13 R14 I15 L19	D13-H17 PolarHBondContact O-N 3.42Å; R14-H17 PolarHBondContact O-N 3.23Å; I15-H17 VanDerWaalsContact C-N 3.34Å; I15-H17 PolarHBondContact O-N 3.49Å; H17-L19 VanDerWaalsContact C-N 3.31Å
18	I	78	Confident	72.4	Confident	133 Å²	133	97.9 Å²	97.9	68%	0.682	48%	0.475	S	S	*	.	H	α-helix	trans	-77.2	-20.5	175.6	-65.7	167.2	0	0	0	111.2	R14 I15	R14-I18 HydrophobicContact CG-CD1 4.12Å; R14-I18 WeakPolarHBondContact O-CD1 3.44Å; R14-I18 VanDerWaalsContact O-CG1 3.32Å; R14-I18 WeakPolarHBondContact O-CG1 2.96Å; R14-I18 PolarHBondContact O-N 3.41Å; I15-I18 PolarHBondContact O-N 3.12Å
19	L	74.3	Confident	72.4	Confident	37 Å²	37	96.3 Å²	96.3	19%	0.194	47%	0.472	C	S	.	.	S	Bend	trans	-73.6	130.9	-176.8	-131.8	85.4	0	0	0	112.1	I15 E16 H17 L23 R24 Y27	I15-L19 HydrophobicContact CG2-CD1 4.22Å; I15-L19 PolarHBondContact O-N 2.98Å; E16-L19 WeakPolarHBondContact O-CB 3.34Å; E16-L19 PolarHBondContact O-N 3.47Å; H17-L19 VanDerWaalsContact C-N 3.31Å; L19-L23 HydrophobicContact CD2-CB 3.47Å; L19-L23 VanDerWaalsContact CD2-CB 3.47Å; L19-L23 HydrophobicContact CG-CB 3.93Å; L19-R24 PolarHBondContact O-NE 2.79Å; L19-Y27 HydrophobicContact CD2-CD1 4.4Å; L19-Y27 HydrophobicContact CD2-CD2 4.45Å; L19-Y27 HydrophobicContact CD2-CG 3.95Å
20	P	74.1	Confident	72.1	Confident	79 Å²	79	96.3 Å²	96.3	51%	0.513	48%	0.479	S	S	.	.			trans	-55.2	143.9	171.4	-20.9	29.1	0	0	0	111.4	K22 L23 R24	P20-K22 PolarHBondContact O-N 3.11Å; P20-L23 HydrophobicContact CG-CD1 4.29Å; P20-L23 PolarHBondContact O-N 3.36Å; P20-R24 PolarHBondContact O-N 3.4Å
21	A	71.4	Confident	71.4	Confident	74 Å²	74	88.2 Å²	88.2	61%	0.612	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.1	-177.3	0	0	0	0	0	113.8	L23	A21-L23 PolarHBondContact O-N 2.74Å
22	K	70.8	Confident	70.9	Confident	192 Å²	192	83.2 Å²	83.2	84%	0.835	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.8	177.7	-61.8	-166.9	178.4	-169.9	0	114.7	P20 P25	P20-K22 PolarHBondContact O-N 3.11Å; K22-P25 WeakPolarHBondContact O-CD 3.47Å
23	L	71.1	Confident	70.8	Confident	87 Å²	87	83.6 Å²	83.6	46%	0.455	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-14.2	-178.9	-65.2	179.8	0	0	0	113	L19 P20 A21 P25 L26 Y27	L19-L23 HydrophobicContact CD2-CB 3.47Å; L19-L23 VanDerWaalsContact CD2-CB 3.47Å; L19-L23 HydrophobicContact CG-CB 3.93Å; P20-L23 HydrophobicContact CG-CD1 4.29Å; P20-L23 PolarHBondContact O-N 3.36Å; A21-L23 PolarHBondContact O-N 2.74Å; L23-P25 VanDerWaalsContact C-CD 3.4Å; L23-L26 PolarHBondContact O-N 2.99Å; L23-L26 VanDerWaalsContact O-N 3.17Å; L23-Y27 WeakPolarHBondContact O-CB 3.41Å; L23-Y27 PolarHBondContact O-N 3.27Å
24	R	68.6	Low	70.7	Confident	100 Å²	100	82.6 Å²	82.6	38%	0.377	42%	0.42	S	S	.	.	H	α-helix	trans	-56.5	-38.7	175.7	-64.8	-178.1	-175.2	168.6	0.3	113.9	L19 P20 L26 Y27 N28	L19-R24 PolarHBondContact O-NE 2.79Å; P20-R24 PolarHBondContact O-N 3.4Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-L26 PolarHBondContact O-N 3.34Å; R24-Y27 PolarHBondContact O-N 3.07Å; R24-N28 WeakPolarHBondContact O-CB 3.4Å; R24-N28 PolarHBondContact O-N 2.89Å
25	P	70.3	Confident	70.6	Confident	94 Å²	94	75.4 Å²	75.4	61%	0.61	40%	0.397	S	S	*	.	H	α-helix	trans	-63.5	-36.7	176.2	-21.1	32.7	0	0	0	113	K22 L23 H29	K22-P25 WeakPolarHBondContact O-CD 3.47Å; L23-P25 VanDerWaalsContact C-CD 3.4Å; P25-H29 PolarHBondContact O-N 2.93Å
26	L	70.9	Confident	70.7	Confident	108 Å²	108	77.6 Å²	77.6	57%	0.565	41%	0.413	S	S	*	.	H	α-helix	trans	-73	-36.6	176.2	-176.7	64.3	0	0	0	111.4	L23 R24 H29 P33	L23-L26 PolarHBondContact O-N 2.99Å; L23-L26 VanDerWaalsContact O-N 3.17Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-L26 PolarHBondContact O-N 3.34Å; L26-H29 WeakPolarHBondContact O-CB 3.41Å; L26-P33 WeakPolarHBondContact O-CD 3.33Å
27	Y	67.2	Low	70.9	Confident	17 Å²	17	81.3 Å²	81.3	7%	0.067	43%	0.429	C	S	.	.	H	α-helix	trans	-71	-37.5	-179.3	-169.4	-117.6	0	0	0	113.2	L12 I15 E16 L19 L23 R24 P33 R34	L12-Y27 WeakPolarHBondContact CD2-OH 3.44Å; I15-Y27 HydrophobicContact CG2-CE2 4.32Å; E16-Y27 HydrophobicContact CB-CD1 4.46Å; E16-Y27 HydrophobicContact CB-CE1 4.03Å; E16-Y27 HydrophobicContact CG-CD1 4.44Å; E16-Y27 HydrophobicContact CG-CE1 4.46Å; L19-Y27 HydrophobicContact CD2-CD1 4.4Å; L19-Y27 HydrophobicContact CD2-CD2 4.45Å; L19-Y27 HydrophobicContact CD2-CG 3.95Å; L23-Y27 WeakPolarHBondContact O-CB 3.41Å; L23-Y27 PolarHBondContact O-N 3.27Å; R24-Y27 PolarHBondContact O-N 3.07Å; Y27-P33 HydrophobicContact CD2-CB 4.14Å; Y27-P33 HydrophobicContact CD2-CG 4.09Å; Y27-P33 HydrophobicContact CE2-CB 4.3Å; Y27-R34 HydrophobicContact CD2-CG 4.39Å; Y27-R34 HydrophobicContact CE1-CG 4.08Å; Y27-R34 VanDerWaalsContact CE1-NH2 3.32Å; Y27-R34 HydrophobicContact CE2-CG 3.79Å; Y27-R34 PolarHBondContact OH-NE 3.32Å
28	N	69.7	Low	71.3	Confident	79 Å²	79	76.7 Å²	76.7	42%	0.422	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.5	178.8	-69.4	-25.1	0	0	0	113.6	E16 R24 R34	E16-N28 PolarHBondContact OE1-ND2 3.16Å; R24-N28 WeakPolarHBondContact O-CB 3.4Å; R24-N28 PolarHBondContact O-N 2.89Å; N28-R34 PolarHBondContact OD1-NH1 3.3Å
29	H	72.6	Confident	71.3	Confident	85 Å²	85	76.4 Å²	76.4	39%	0.394	40%	0.397	S	S	.	.	S	Bend	trans	-61.3	140.4	174	-170.6	-94.6	0	0	0	110.4	P25 L26 A31 G32	P25-H29 PolarHBondContact O-N 2.93Å; L26-H29 WeakPolarHBondContact O-CB 3.41Å; H29-A31 PolarHBondContact ND1-N 3.27Å; H29-A31 VanDerWaalsContact ND1-N 3.11Å; H29-A31 PolarHBondContact O-N 3.45Å; H29-A31 VanDerWaalsContact O-N 3.07Å; H29-G32 WeakPolarHBondContact O-CA 3.3Å; H29-G32 PolarHBondContact O-N 3.2Å
30	P	67.8	Low	71.7	Confident	81 Å²	81	77 Å²	77	53%	0.526	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.9	-178.2	26.9	-37.6	0	0	0	114.1	P86	P30-P86 HydrophobicContact CB-CG 4.01Å; P30-P86 HydrophobicContact CG-CB 4.05Å; P30-P86 HydrophobicContact CG-CG 3.91Å
31	A	64.4	Low	72	Confident	10 Å²	10	73.3 Å²	73.3	8%	0.083	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	26.6	167.6	0	0	0	0	0	112.8	H29 F37	H29-A31 PolarHBondContact ND1-N 3.27Å; H29-A31 VanDerWaalsContact ND1-N 3.11Å; H29-A31 PolarHBondContact O-N 3.45Å; H29-A31 VanDerWaalsContact O-N 3.07Å; A31-F37 HydrophobicContact CB-CB 4.08Å
32	G	68.8	Low	72.5	Confident	2 Å²	2	72.4 Å²	72.4	2%	0.021	37%	0.37	C	S	.	.	S	Bend	trans	-84.6	-177.6	-175.8	0	0	0	0	0	113.9	H29 R34 T35 F38	H29-G32 WeakPolarHBondContact O-CA 3.3Å; H29-G32 PolarHBondContact O-N 3.2Å; G32-R34 PolarHBondContact O-N 2.9Å; G32-T35 PolarHBondContact O-N 2.92Å; G32-T35 PolarHBondContact O-OG1 3.41Å; G32-F38 VanDerWaalsContact O-CB 3.22Å; G32-F38 WeakPolarHBondContact O-CB 3.37Å
33	P	71.4	Confident	73.1	Confident	33 Å²	33	70.7 Å²	70.7	21%	0.214	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.2	-172.3	-20.6	32.2	0	0	0	115.5	L26 Y27 T35 F38 W39	L26-P33 WeakPolarHBondContact O-CD 3.33Å; Y27-P33 HydrophobicContact CD2-CB 4.14Å; Y27-P33 HydrophobicContact CD2-CG 4.09Å; Y27-P33 HydrophobicContact CE2-CB 4.3Å; P33-T35 PolarHBondContact O-N 3.41Å; P33-F38 HydrophobicContact CB-CD1 4.05Å; P33-F38 HydrophobicContact CB-CE1 4.24Å; P33-F38 HydrophobicContact CB-CG 4.41Å; P33-F38 HydrophobicContact CG-CD1 4.38Å; P33-F38 HydrophobicContact CG-CD2 4.49Å; P33-F38 HydrophobicContact CG-CE1 4.36Å; P33-F38 HydrophobicContact CG-CE2 4.48Å; P33-F38 HydrophobicContact CG-CG 4.44Å; P33-F38 HydrophobicContact CG-CZ 4.42Å; P33-W39 PolarHBondContact O-NE1 3.45Å
34	R	67.9	Low	73.7	Confident	60 Å²	60	69.6 Å²	69.6	23%	0.226	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.5	172.9	-70.2	-177.9	156.3	170.4	-9.4	113.3	Y8 L12 E16 Y27 N28 G32	Y8-R34 PolarHBondContact OH-O 3.08Å; L12-R34 HydrophobicContact CD2-CG 4.39Å; L12-R34 PolarHBondContact O-NH2 3.21Å; E16-R34 IonicContact OE2-CZ 3.25Å; E16-R34 VanDerWaalsContact OE2-CZ 3.25Å; E16-R34 IonicContact OE2-NH1 2.91Å; E16-R34 PolarHBondContact OE2-NH1 3.45Å; E16-R34 IonicContact OE2-NH2 2.7Å; E16-R34 PolarHBondContact OE2-NH2 3.36Å; Y27-R34 HydrophobicContact CD2-CG 4.39Å; Y27-R34 HydrophobicContact CE1-CG 4.08Å; Y27-R34 VanDerWaalsContact CE1-NH2 3.32Å; Y27-R34 HydrophobicContact CE2-CG 3.79Å; Y27-R34 PolarHBondContact OH-NE 3.32Å; N28-R34 PolarHBondContact OD1-NH1 3.3Å; G32-R34 PolarHBondContact O-N 2.9Å
35	T	74.4	Confident	74.4	Confident	36 Å²	36	68.6 Å²	68.6	22%	0.221	35%	0.351	C	S	.	.	S	Bend	trans	-120.7	152.8	-170.8	71.9	0	0	0	0	112.5	G32 P33 F37 F38	G32-T35 PolarHBondContact O-N 2.92Å; G32-T35 PolarHBondContact O-OG1 3.41Å; P33-T35 PolarHBondContact O-N 3.41Å; T35-F37 PolarHBondContact O-N 3.29Å; T35-F38 PolarHBondContact O-N 3.19Å; T35-F38 VanDerWaalsContact O-N 3.11Å
36	V	74.6	Confident	75.2	Confident	115 Å²	115	66.1 Å²	66.1	70%	0.697	34%	0.343	S	S	*	.	H	α-helix	trans	-59.4	-27.8	173.7	-179.1	0	0	0	0	111.2	F38 W39 A40	V36-F38 PolarHBondContact O-N 3.02Å; V36-W39 PolarHBondContact O-N 3.16Å; V36-A40 HydrophobicContact CG1-CB 4.21Å; V36-A40 VanDerWaalsContact O-CB 3.28Å; V36-A40 WeakPolarHBondContact O-CB 3.49Å; V36-A40 PolarHBondContact O-N 2.89Å
37	F	72.5	Confident	75.7	Confident	127 Å²	127	66.1 Å²	66.1	56%	0.557	34%	0.343	S	S	*	.	H	α-helix	trans	-61.1	-24.8	177.3	-60.4	-68.7	0	0	0	113.5	A31 T35 P41 N88	A31-F37 HydrophobicContact CB-CB 4.08Å; T35-F37 PolarHBondContact O-N 3.29Å; F37-P41 WeakPolarHBondContact O-CD 3.49Å; F37-P41 WeakPolarHBondContact O-CG 3.42Å; F37-N88 PolarHBondContact O-ND2 2.92Å
38	F	76.4	Confident	76.4	Confident	61 Å²	61	65.6 Å²	65.6	27%	0.268	34%	0.341	S	S	.	.	H	α-helix	trans	-84.3	-49.5	173.5	-179.8	-97.7	0	0	0	111.9	G32 P33 T35 V36 P41 V42	G32-F38 VanDerWaalsContact O-CB 3.22Å; G32-F38 WeakPolarHBondContact O-CB 3.37Å; P33-F38 HydrophobicContact CB-CD1 4.05Å; P33-F38 HydrophobicContact CB-CE1 4.24Å; P33-F38 HydrophobicContact CB-CG 4.41Å; P33-F38 HydrophobicContact CG-CD1 4.38Å; P33-F38 HydrophobicContact CG-CD2 4.49Å; P33-F38 HydrophobicContact CG-CE1 4.36Å; P33-F38 HydrophobicContact CG-CE2 4.48Å; P33-F38 HydrophobicContact CG-CG 4.44Å; P33-F38 HydrophobicContact CG-CZ 4.42Å; T35-F38 PolarHBondContact O-N 3.19Å; T35-F38 VanDerWaalsContact O-N 3.11Å; V36-F38 PolarHBondContact O-N 3.02Å; F38-P41 WeakPolarHBondContact O-CD 3.41Å; F38-V42 HydrophobicContact CD1-CG2 4.25Å; F38-V42 HydrophobicContact CE1-CG2 3.97Å; F38-V42 HydrophobicContact CZ-CG2 4.18Å; F38-V42 VanDerWaalsContact O-CG2 3.24Å; F38-V42 WeakPolarHBondContact O-CG2 3.22Å; F38-V42 PolarHBondContact O-N 3.09Å
39	W	78.2	Confident	77.1	Confident	127 Å²	127	67.8 Å²	67.8	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-71.8	-36	-173.5	-70.4	100.4	0	0	0	113.6	P33 V36 V42 F43	P33-W39 PolarHBondContact O-NE1 3.45Å; V36-W39 PolarHBondContact O-N 3.16Å; W39-V42 HydrophobicContact CE3-CG1 4.39Å; W39-V42 WeakPolarHBondContact O-CB 3.4Å; W39-V42 PolarHBondContact O-N 3.28Å; W39-V42 VanDerWaalsContact O-N 3.12Å; W39-F43 HydrophobicContact CB-CD2 4.42Å; W39-F43 HydrophobicContact CB-CE2 4.2Å; W39-F43 HydrophobicContact CE3-CE2 4.22Å; W39-F43 WeakPolarHBondContact O-CD2 3.09Å; W39-F43 PolarHBondContact O-N 3.41Å
40	A	82.3	Confident	77.5	Confident	51 Å²	51	66.4 Å²	66.4	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-48	-179.7	0	0	0	0	0	112.7	V36 V42 F43 K44	V36-A40 HydrophobicContact CG1-CB 4.21Å; V36-A40 VanDerWaalsContact O-CB 3.28Å; V36-A40 WeakPolarHBondContact O-CB 3.49Å; V36-A40 PolarHBondContact O-N 2.89Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-V42 PolarHBondContact O-N 2.89Å; A40-F43 PolarHBondContact O-N 3.45Å; A40-K44 WeakPolarHBondContact O-CB 3.31Å; A40-K44 PolarHBondContact O-N 3.03Å
41	P	80.6	Confident	77.9	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-40.6	169	-26.3	34.4	0	0	0	113.8	F37 F38 F43 K44 W45 N90 L91 V94	F37-P41 WeakPolarHBondContact O-CD 3.49Å; F37-P41 WeakPolarHBondContact O-CG 3.42Å; F38-P41 WeakPolarHBondContact O-CD 3.41Å; P41-F43 VanDerWaalsContact C-N 3.34Å; P41-F43 PolarHBondContact O-N 3.4Å; P41-K44 WeakPolarHBondContact O-CA 3.47Å; P41-K44 WeakPolarHBondContact O-CB 3.34Å; P41-K44 PolarHBondContact O-N 3.04Å; P41-W45 PolarHBondContact O-N 3.36Å; P41-N90 HydrophobicContact CB-CB 4.15Å; P41-L91 HydrophobicContact CG-CB 3.96Å; P41-L91 HydrophobicContact CG-CD1 4.04Å; P41-V94 HydrophobicContact CB-CG1 4.33Å
42	V	82.9	Confident	78.5	Confident	54 Å²	54	66.7 Å²	66.7	33%	0.327	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-45.4	178.4	169.3	0	0	0	0	111.4	F38 W39 A40 W45	F38-V42 HydrophobicContact CD1-CG2 4.25Å; F38-V42 HydrophobicContact CE1-CG2 3.97Å; F38-V42 HydrophobicContact CZ-CG2 4.18Å; F38-V42 VanDerWaalsContact O-CG2 3.24Å; F38-V42 WeakPolarHBondContact O-CG2 3.22Å; F38-V42 PolarHBondContact O-N 3.09Å; W39-V42 HydrophobicContact CE3-CG1 4.39Å; W39-V42 WeakPolarHBondContact O-CB 3.4Å; W39-V42 PolarHBondContact O-N 3.28Å; W39-V42 VanDerWaalsContact O-N 3.12Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-V42 PolarHBondContact O-N 2.89Å; V42-W45 WeakPolarHBondContact O-CB 3.35Å; V42-W45 PolarHBondContact O-N 3.49Å
43	F	82.5	Confident	79	Confident	156 Å²	156	70.1 Å²	70.1	68%	0.684	38%	0.381	S	S	*	.	H	α-helix	trans	-68.1	-36.1	174.1	-72.3	-68.5	0	0	0	112.4	W39 A40 P41 W45 G46	W39-F43 HydrophobicContact CB-CD2 4.42Å; W39-F43 HydrophobicContact CB-CE2 4.2Å; W39-F43 HydrophobicContact CE3-CE2 4.22Å; W39-F43 WeakPolarHBondContact O-CD2 3.09Å; W39-F43 PolarHBondContact O-N 3.41Å; A40-F43 PolarHBondContact O-N 3.45Å; P41-F43 VanDerWaalsContact C-N 3.34Å; P41-F43 PolarHBondContact O-N 3.4Å; F43-W45 PolarHBondContact O-N 3.41Å; F43-G46 PolarHBondContact O-N 2.87Å
44	K	84.1	Confident	79	Confident	64 Å²	64	71 Å²	71	28%	0.278	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-23.5	179.7	-165.1	173.7	-177	177.1	0	112.9	A40 P41 G46 L47 V94 N95	A40-K44 WeakPolarHBondContact O-CB 3.31Å; A40-K44 PolarHBondContact O-N 3.03Å; P41-K44 WeakPolarHBondContact O-CA 3.47Å; P41-K44 WeakPolarHBondContact O-CB 3.34Å; P41-K44 PolarHBondContact O-N 3.04Å; K44-G46 PolarHBondContact O-N 3.33Å; K44-G46 VanDerWaalsContact O-N 3.14Å; K44-L47 HydrophobicContact CG-CD1 4.04Å; K44-L47 WeakPolarHBondContact O-CB 3.4Å; K44-L47 PolarHBondContact O-N 3.09Å; K44-V94 HydrophobicContact CB-CG1 4.35Å; K44-V94 HydrophobicContact CB-CG2 3.83Å; K44-V94 HydrophobicContact CD-CG1 3.91Å; K44-V94 HydrophobicContact CD-CG2 4.25Å; K44-V94 HydrophobicContact CG-CG1 4.29Å; K44-V94 HydrophobicContact CG-CG2 3.76Å; K44-N95 PolarHBondContact NZ-OD1 3.05Å
45	W	83.6	Confident	78.9	Confident	79 Å²	79	71.6 Å²	71.6	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-57.8	-23.1	170.6	-83	101.4	0	0	0	113.5	P41 V42 F43 L47 V48 M49 N90 A93 V94 F97	P41-W45 PolarHBondContact O-N 3.36Å; V42-W45 WeakPolarHBondContact O-CB 3.35Å; V42-W45 PolarHBondContact O-N 3.49Å; F43-W45 PolarHBondContact O-N 3.41Å; W45-L47 PolarHBondContact O-N 3.42Å; W45-V48 HydrophobicContact CE3-CB 3.84Å; W45-V48 HydrophobicContact CE3-CG1 3.99Å; W45-V48 HydrophobicContact CE3-CG2 3.97Å; W45-V48 HydrophobicContact CZ3-CB 4.23Å; W45-V48 HydrophobicContact CZ3-CG1 3.89Å; W45-V48 HydrophobicContact CZ3-CG2 4.29Å; W45-V48 WeakPolarHBondContact O-CB 3.46Å; W45-V48 PolarHBondContact O-N 3.26Å; W45-V48 VanDerWaalsContact O-N 3.11Å; W45-M49 WeakPolarHBondContact O-CG 3.5Å; W45-M49 PolarHBondContact O-N 3.12Å; W45-N90 PolarHBondContact NE1-OD1 3.32Å; W45-A93 HydrophobicContact CZ2-CB 4.07Å; W45-V94 HydrophobicContact CD2-CG2 4.24Å; W45-V94 HydrophobicContact CG-CG2 4.16Å; W45-F97 AromaticContact CH2-CD2 3.29Å; W45-F97 HydrophobicContact CH2-CD2 3.29Å; W45-F97 AromaticContact CH2-CE2 3.64Å; W45-F97 HydrophobicContact CH2-CE2 3.64Å; W45-F97 HydrophobicContact CH2-CG 4.11Å; W45-F97 HydrophobicContact CZ2-CD2 4.14Å; W45-F97 HydrophobicContact CZ2-CE2 4.46Å; W45-F97 HydrophobicContact CZ3-CB 4.46Å; W45-F97 AromaticContact CZ3-CD2 3.89Å; W45-F97 HydrophobicContact CZ3-CD2 3.89Å; W45-F97 HydrophobicContact CZ3-CE2 4.47Å; W45-F97 HydrophobicContact CZ3-CG 4.26Å
46	G	85.9	Confident	78.5	Confident	43 Å²	43	74.4 Å²	74.4	44%	0.443	42%	0.417	S	S	.	.	H	α-helix	trans	-56.7	-35.1	169.9	0	0	0	0	0	113.1	F43 K44 M49 A50	F43-G46 PolarHBondContact O-N 2.87Å; K44-G46 PolarHBondContact O-N 3.33Å; K44-G46 VanDerWaalsContact O-N 3.14Å; G46-M49 PolarHBondContact O-N 2.9Å; G46-A50 VanDerWaalsContact O-CB 3.29Å; G46-A50 WeakPolarHBondContact O-CB 3.36Å; G46-A50 PolarHBondContact O-N 3Å
47	L	81.5	Confident	77.9	Confident	108 Å²	108	76.3 Å²	76.3	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-69.3	-37.6	176	-64.2	177.9	0	0	0	112.1	K44 W45 A50 G51 V98	K44-L47 HydrophobicContact CG-CD1 4.04Å; K44-L47 WeakPolarHBondContact O-CB 3.4Å; K44-L47 PolarHBondContact O-N 3.09Å; W45-L47 PolarHBondContact O-N 3.42Å; L47-A50 PolarHBondContact O-N 3.41Å; L47-G51 PolarHBondContact O-N 3.21Å; L47-V98 HydrophobicContact CB-CG2 4.38Å
48	V	81.9	Confident	77.3	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.03	41%	0.411	C	S	.	.	H	α-helix	trans	-65	-47.5	175.6	179	0	0	0	0	109.6	W45 A50 G51 L52 V94 F97 V98	W45-V48 HydrophobicContact CE3-CB 3.84Å; W45-V48 HydrophobicContact CE3-CG1 3.99Å; W45-V48 HydrophobicContact CE3-CG2 3.97Å; W45-V48 HydrophobicContact CZ3-CB 4.23Å; W45-V48 HydrophobicContact CZ3-CG1 3.89Å; W45-V48 HydrophobicContact CZ3-CG2 4.29Å; W45-V48 WeakPolarHBondContact O-CB 3.46Å; W45-V48 PolarHBondContact O-N 3.26Å; W45-V48 VanDerWaalsContact O-N 3.11Å; V48-A50 VanDerWaalsContact C-N 3.34Å; V48-A50 PolarHBondContact O-N 2.75Å; V48-G51 PolarHBondContact O-N 2.83Å; V48-L52 HydrophobicContact CG1-CD1 4.26Å; V48-L52 WeakPolarHBondContact O-CG 3.5Å; V48-L52 PolarHBondContact O-N 2.99Å; V48-V94 HydrophobicContact CG2-CG2 3.88Å; V48-F97 HydrophobicContact CG1-CB 3.83Å; V48-F97 HydrophobicContact CG2-CB 3.93Å; V48-V98 HydrophobicContact CG2-CG2 3.61Å
49	M	84	Confident	76.4	Confident	125 Å²	125	72.4 Å²	72.4	62%	0.616	41%	0.407	S	S	*	.	H	α-helix	trans	-61.6	-41.8	177.6	-67.9	-60	-64.7	0	0	112.1	W45 G46 L52 A53	W45-M49 WeakPolarHBondContact O-CG 3.5Å; W45-M49 PolarHBondContact O-N 3.12Å; G46-M49 PolarHBondContact O-N 2.9Å; M49-L52 PolarHBondContact O-N 2.98Å; M49-A53 WeakPolarHBondContact O-CB 3.43Å; M49-A53 PolarHBondContact O-N 3.47Å
50	A	81.8	Confident	75.2	Confident	56 Å²	56	71.7 Å²	71.7	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-43.8	174.5	0	0	0	0	0	111.7	G46 L47 V48 L52 A53 D54	G46-A50 VanDerWaalsContact O-CB 3.29Å; G46-A50 WeakPolarHBondContact O-CB 3.36Å; G46-A50 PolarHBondContact O-N 3Å; L47-A50 PolarHBondContact O-N 3.41Å; V48-A50 VanDerWaalsContact C-N 3.34Å; V48-A50 PolarHBondContact O-N 2.75Å; A50-L52 VanDerWaalsContact C-N 3.32Å; A50-L52 PolarHBondContact O-N 3.42Å; A50-A53 PolarHBondContact O-N 2.96Å; A50-D54 WeakPolarHBondContact O-CB 3.29Å; A50-D54 PolarHBondContact O-N 3.01Å
51	G	75.6	Confident	74	Confident	17 Å²	17	77.5 Å²	77.5	18%	0.175	43%	0.429	C	S	.	.	H	α-helix	trans	-62.1	-38.4	176	0	0	0	0	0	112.8	L47 V48 D54 M55	L47-G51 PolarHBondContact O-N 3.21Å; V48-G51 PolarHBondContact O-N 2.83Å; G51-D54 PolarHBondContact O-N 3.49Å; G51-M55 WeakPolarHBondContact O-CG 3.34Å; G51-M55 PolarHBondContact O-N 2.88Å
52	L	78.1	Confident	73	Confident	81 Å²	81	78.4 Å²	78.4	42%	0.424	43%	0.434	S	S	.	.	H	α-helix	trans	-67.7	-43.5	174.4	-69.9	174.5	0	0	0	112.1	V48 M49 A50 D54 M55	V48-L52 HydrophobicContact CG1-CD1 4.26Å; V48-L52 WeakPolarHBondContact O-CG 3.5Å; V48-L52 PolarHBondContact O-N 2.99Å; M49-L52 PolarHBondContact O-N 2.98Å; A50-L52 VanDerWaalsContact C-N 3.32Å; A50-L52 PolarHBondContact O-N 3.42Å; L52-D54 VanDerWaalsContact C-N 3.27Å; L52-D54 PolarHBondContact O-N 2.9Å; L52-M55 HydrophobicContact CB-CE 4.12Å; L52-M55 HydrophobicContact CD2-CE 3.39Å; L52-M55 HydrophobicContact CD2-SD 4.02Å; L52-M55 HydrophobicContact CG-CE 4.36Å; L52-M55 VanDerWaalsContact O-CB 3.3Å; L52-M55 WeakPolarHBondContact O-CB 3.41Å; L52-M55 WeakPolarHBondContact O-CE 3.27Å; L52-M55 WeakPolarHBondContact O-CG 3.47Å; L52-M55 PolarHBondContact O-N 3.35Å
53	A	79.4	Confident	72.5	Confident	74 Å²	74	78 Å²	78	61%	0.612	43%	0.433	S	S	*	.	H	α-helix	trans	-63.3	-34.6	176	0	0	0	0	0	112.1	M49 A50 M55 A56	M49-A53 WeakPolarHBondContact O-CB 3.43Å; M49-A53 PolarHBondContact O-N 3.47Å; A50-A53 PolarHBondContact O-N 2.96Å; A53-M55 PolarHBondContact O-N 3.45Å; A53-A56 PolarHBondContact O-N 3.44Å
54	D	70.9	Confident	72	Confident	52 Å²	52	72.9 Å²	72.9	28%	0.278	42%	0.415	S	S	.	.	H	α-helix	trans	-71.4	-13.7	178.5	-159.9	57.2	0	0	0	113	A50 G51 L52 A56 R57 Q105	A50-D54 WeakPolarHBondContact O-CB 3.29Å; A50-D54 PolarHBondContact O-N 3.01Å; G51-D54 PolarHBondContact O-N 3.49Å; L52-D54 VanDerWaalsContact C-N 3.27Å; L52-D54 PolarHBondContact O-N 2.9Å; D54-A56 PolarHBondContact O-N 2.89Å; D54-A56 VanDerWaalsContact O-N 3.16Å; D54-R57 WeakPolarHBondContact O-CB 3.46Å; D54-R57 PolarHBondContact O-N 2.97Å; D54-R57 WeakPolarHBondContact OD1-CD 3.22Å; D54-R57 IonicContact OD1-NE 3.88Å; D54-R57 IonicContact OD1-NH1 3.99Å; D54-Q105 PolarHBondContact OD2-NE2 3.23Å
55	M	66.4	Low	71.7	Confident	72 Å²	72	74 Å²	74	36%	0.355	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20	173.4	-60.3	-169.6	-58.7	0	0	113.2	G51 L52 A53 R57 R108	G51-M55 WeakPolarHBondContact O-CG 3.34Å; G51-M55 PolarHBondContact O-N 2.88Å; L52-M55 HydrophobicContact CB-CE 4.12Å; L52-M55 HydrophobicContact CD2-CE 3.39Å; L52-M55 HydrophobicContact CD2-SD 4.02Å; L52-M55 HydrophobicContact CG-CE 4.36Å; L52-M55 VanDerWaalsContact O-CB 3.3Å; L52-M55 WeakPolarHBondContact O-CB 3.41Å; L52-M55 WeakPolarHBondContact O-CE 3.27Å; L52-M55 WeakPolarHBondContact O-CG 3.47Å; L52-M55 PolarHBondContact O-N 3.35Å; A53-M55 PolarHBondContact O-N 3.45Å; M55-R57 VanDerWaalsContact C-N 3.26Å; M55-R57 PolarHBondContact O-N 3.45Å; M55-R108 PolarHBondContact O-NH1 3.5Å; M55-R108 PolarHBondContact O-NH2 3.37Å
56	A	65.6	Low	71.5	Confident	95 Å²	95	76.6 Å²	76.6	79%	0.785	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.8	174.6	0	0	0	0	0	113.4	A53 D54	A53-A56 PolarHBondContact O-N 3.44Å; D54-A56 PolarHBondContact O-N 2.89Å; D54-A56 VanDerWaalsContact O-N 3.16Å
57	R	62.6	Low	71.4	Confident	154 Å²	154	74.7 Å²	74.7	58%	0.581	43%	0.426	S	S	*	.	S	Bend	trans	-78.4	144.9	177.6	-82.5	-169.2	176.7	175.3	-3.9	112.5	D54 M55	D54-R57 WeakPolarHBondContact O-CB 3.46Å; D54-R57 PolarHBondContact O-N 2.97Å; D54-R57 WeakPolarHBondContact OD1-CD 3.22Å; D54-R57 IonicContact OD1-NE 3.88Å; D54-R57 IonicContact OD1-NH1 3.99Å; M55-R57 VanDerWaalsContact C-N 3.26Å; M55-R57 PolarHBondContact O-N 3.45Å
58	P	58.8	Low	71.5	Confident	84 Å²	84	71.5 Å²	71.5	55%	0.545	42%	0.415	S	S	.	.			trans	-62	139.8	177.5	19.3	-26.2	0	0	0	111.7	D60 K61	P58-D60 PolarHBondContact O-N 3.11Å; P58-D60 VanDerWaalsContact O-N 3.11Å; P58-K61 PolarHBondContact O-N 3.48Å; P58-K61 VanDerWaalsContact O-N 3.09Å
59	A	58.8	Low	71.8	Confident	22 Å²	22	75.4 Å²	75.4	18%	0.182	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-58.4	-24	-174.5	0	0	0	0	0	114.2	K61 L62 Y112	A59-K61 PolarHBondContact O-N 2.88Å; A59-L62 PolarHBondContact O-N 3.21Å; A59-Y112 HydrophobicContact CB-CG 4.34Å
60	D	52.8	Low	71.9	Confident	113 Å²	113	72.8 Å²	72.8	60%	0.604	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-63	-24	175.6	-85.4	-45.2	0	0	0	114.6	P58 Y112	P58-D60 PolarHBondContact O-N 3.11Å; P58-D60 VanDerWaalsContact O-N 3.11Å; D60-Y112 WeakPolarHBondContact OD1-CE1 3.09Å; D60-Y112 PolarHBondContact OD1-OH 3.03Å; D60-Y112 PolarHBondContact OD2-OH 3.07Å
61	K	55.6	Low	72.2	Confident	173 Å²	173	71.2 Å²	71.2	75%	0.752	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-98.4	1.9	178.4	-63.2	-158.3	179.5	-173.7	0	113.5	P58 A59	P58-K61 PolarHBondContact O-N 3.48Å; P58-K61 VanDerWaalsContact O-N 3.09Å; A59-K61 PolarHBondContact O-N 2.88Å
62	L	61.2	Low	72.9	Confident	20 Å²	20	72.6 Å²	72.6	11%	0.105	42%	0.421	C	S	.	.			trans	-88	116.2	-177.4	-86.3	159	0	0	0	110.7	A59 T64 Q105 I109	A59-L62 PolarHBondContact O-N 3.21Å; L62-T64 PolarHBondContact O-N 3.29Å; L62-Q105 HydrophobicContact CD2-CB 4.49Å; L62-Q105 HydrophobicContact CD2-CG 4.31Å; L62-I109 HydrophobicContact CB-CD1 3.89Å; L62-I109 HydrophobicContact CB-CG1 4.02Å
63	S	70.7	Confident	73.5	Confident	45 Å²	45	71.2 Å²	71.2	32%	0.315	42%	0.416	S	S	.	.			trans	-71.1	116.6	176.3	179.2	0	0	0	0	110.6	S65 Q66 S67	S63-S65 PolarHBondContact O-N 3.1Å; S63-Q66 PolarHBondContact O-N 3.32Å; S63-Q66 PolarHBondContact OG-N 3.45Å; S63-S67 PolarHBondContact O-N 3.31Å; S63-S67 VanDerWaalsContact O-N 3.09Å; S63-S67 PolarHBondContact O-OG 3.41Å
64	T	72.6	Confident	73.9	Confident	49 Å²	49	67.7 Å²	67.7	30%	0.301	39%	0.388	S	S	.	.	H	α-helix	trans	-56.6	-41.5	176	-43.8	0	0	0	0	111	L62 S67 A68 L106 I109 K113	L62-T64 PolarHBondContact O-N 3.29Å; T64-S67 PolarHBondContact O-N 2.9Å; T64-A68 VanDerWaalsContact O-CB 3.31Å; T64-A68 WeakPolarHBondContact O-CB 3.22Å; T64-A68 PolarHBondContact O-N 3.36Å; T64-L106 HydrophobicContact CG2-CD1 3.78Å; T64-I109 HydrophobicContact CG2-CG2 4.3Å; T64-K113 PolarHBondContact OG1-NZ 3.32Å
65	S	77.8	Confident	74.8	Confident	88 Å²	88	70.2 Å²	70.2	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-65.2	-40.6	179.9	-52.9	0	0	0	0	112	S63 V69	S63-S65 PolarHBondContact O-N 3.1Å; S65-V69 WeakPolarHBondContact O-CB 3.25Å; S65-V69 WeakPolarHBondContact O-CG2 3.23Å; S65-V69 PolarHBondContact O-N 3.05Å
66	Q	79.1	Confident	76.1	Confident	133 Å²	133	72.3 Å²	72.3	62%	0.621	41%	0.412	S	S	*	.	H	α-helix	trans	-67	-44.5	177.4	-69.3	178.9	-52.5	0	0	111.8	S63 A68 V69 L70	S63-Q66 PolarHBondContact O-N 3.32Å; S63-Q66 PolarHBondContact OG-N 3.45Å; Q66-A68 VanDerWaalsContact C-N 3.33Å; Q66-A68 PolarHBondContact O-N 3.42Å; Q66-V69 PolarHBondContact O-N 3.32Å; Q66-L70 WeakPolarHBondContact O-CG 3.21Å; Q66-L70 PolarHBondContact O-N 3.5Å
67	S	83.4	Confident	77.1	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-64.1	-39.1	178.6	-59	0	0	0	0	111.8	S63 T64 L70 T71	S63-S67 PolarHBondContact O-N 3.31Å; S63-S67 VanDerWaalsContact O-N 3.09Å; S63-S67 PolarHBondContact O-OG 3.41Å; T64-S67 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 3Å; S67-T71 WeakPolarHBondContact O-CB 3.49Å; S67-T71 PolarHBondContact O-N 3.06Å; S67-T71 PolarHBondContact O-OG1 2.61Å
68	A	84.4	Confident	78.4	Confident	41 Å²	41	67.1 Å²	67.1	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-43.5	174.6	0	0	0	0	0	112.1	T64 Q66 T71 A72 L106	T64-A68 VanDerWaalsContact O-CB 3.31Å; T64-A68 WeakPolarHBondContact O-CB 3.22Å; T64-A68 PolarHBondContact O-N 3.36Å; Q66-A68 VanDerWaalsContact C-N 3.33Å; Q66-A68 PolarHBondContact O-N 3.42Å; A68-T71 PolarHBondContact O-N 2.66Å; A68-A72 WeakPolarHBondContact O-CB 3.31Å; A68-A72 PolarHBondContact O-N 3.2Å; A68-L106 HydrophobicContact CB-CD1 4.39Å
69	V	87.6	Confident	79.9	Confident	86 Å²	86	72.5 Å²	72.5	52%	0.521	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.2	169.7	0	0	0	0	111.2	S65 Q66 T71 A72 T73	S65-V69 WeakPolarHBondContact O-CB 3.25Å; S65-V69 WeakPolarHBondContact O-CG2 3.23Å; S65-V69 PolarHBondContact O-N 3.05Å; Q66-V69 PolarHBondContact O-N 3.32Å; V69-T71 VanDerWaalsContact C-N 3.3Å; V69-T71 PolarHBondContact O-N 3.41Å; V69-A72 PolarHBondContact O-N 3.19Å; V69-T73 HydrophobicContact CG1-CG2 4.05Å; V69-T73 VanDerWaalsContact O-CB 3.31Å; V69-T73 WeakPolarHBondContact O-CB 3.29Å; V69-T73 VanDerWaalsContact O-CG2 3.25Å; V69-T73 WeakPolarHBondContact O-CG2 3.46Å; V69-T73 PolarHBondContact O-N 3.45Å; V69-T73 PolarHBondContact O-OG1 2.91Å
70	L	86.6	Confident	81.2	Confident	71 Å²	71	77.6 Å²	77.6	37%	0.372	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-40.8	176.6	-72	172.6	0	0	0	111.8	Q66 S67 T73 G74 V98	Q66-L70 WeakPolarHBondContact O-CG 3.21Å; Q66-L70 PolarHBondContact O-N 3.5Å; S67-L70 PolarHBondContact O-N 3Å; L70-T73 PolarHBondContact O-OG1 3.33Å; L70-G74 PolarHBondContact O-N 2.9Å; L70-V98 HydrophobicContact CD2-CG1 4.09Å
71	T	88.1	Confident	82.8	Confident	22 Å²	22	72.3 Å²	72.3	14%	0.135	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-53.8	175.2	-53.5	0	0	0	0	111.4	S67 A68 V69 T73 G74 L75 G102 A103	S67-T71 WeakPolarHBondContact O-CB 3.49Å; S67-T71 PolarHBondContact O-N 3.06Å; S67-T71 PolarHBondContact O-OG1 2.61Å; A68-T71 PolarHBondContact O-N 2.66Å; V69-T71 VanDerWaalsContact C-N 3.3Å; V69-T71 PolarHBondContact O-N 3.41Å; T71-T73 PolarHBondContact O-N 2.91Å; T71-G74 PolarHBondContact O-N 3.24Å; T71-L75 HydrophobicContact CG2-CD1 4.19Å; T71-L75 WeakPolarHBondContact O-CG 3.41Å; T71-L75 PolarHBondContact O-N 3.01Å; T71-G102 PolarHBondContact OG1-O 3.11Å; T71-A103 HydrophobicContact CG2-CB 3.97Å; T71-A103 WeakPolarHBondContact OG1-CA 3.28Å; T71-A103 PolarHBondContact OG1-N 3.2Å
72	A	90.3	Very high	84.2	Confident	47 Å²	47	67.2 Å²	67.2	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-46.9	-177.1	0	0	0	0	0	111.7	A68 V69 L75 I76	A68-A72 WeakPolarHBondContact O-CB 3.31Å; A68-A72 PolarHBondContact O-N 3.2Å; V69-A72 PolarHBondContact O-N 3.19Å; A72-L75 PolarHBondContact O-N 2.9Å; A72-I76 VanDerWaalsContact O-CG1 3.29Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.37Å
73	T	90	Very high	85.5	Confident	51 Å²	51	71 Å²	71	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-43.9	177.5	56.5	0	0	0	0	111.1	V69 L70 T71 L75 I76 W77	V69-T73 HydrophobicContact CG1-CG2 4.05Å; V69-T73 VanDerWaalsContact O-CB 3.31Å; V69-T73 WeakPolarHBondContact O-CB 3.29Å; V69-T73 VanDerWaalsContact O-CG2 3.25Å; V69-T73 WeakPolarHBondContact O-CG2 3.46Å; V69-T73 PolarHBondContact O-N 3.45Å; V69-T73 PolarHBondContact O-OG1 2.91Å; L70-T73 PolarHBondContact O-OG1 3.33Å; T71-T73 PolarHBondContact O-N 2.91Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 2.85Å; T73-I76 PolarHBondContact O-N 3.27Å; T73-W77 WeakPolarHBondContact O-CB 3.45Å; T73-W77 PolarHBondContact O-N 2.98Å
74	G	89.1	Confident	86.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-55.1	-46	175.7	0	0	0	0	0	112.6	L70 T71 S78 N95	L70-G74 PolarHBondContact O-N 2.9Å; T71-G74 PolarHBondContact O-N 3.24Å; G74-S78 VanDerWaalsContact O-CB 3.23Å; G74-S78 WeakPolarHBondContact O-CB 3.24Å; G74-S78 PolarHBondContact O-N 2.71Å; G74-S78 PolarHBondContact O-OG 3.36Å; G74-N95 CarbonylContact C-O 3.54Å; G74-N95 VanDerWaalsContact CA-O 3.22Å; G74-N95 WeakPolarHBondContact CA-O 3.47Å
75	L	90.3	Very high	86.5	Confident	105 Å²	105	76.7 Å²	76.7	55%	0.55	40%	0.397	S	S	.	.	H	α-helix	trans	-67.2	-46.2	179	-68.8	173.6	0	0	0	113.2	T71 A72 T73 S78 R79	T71-L75 HydrophobicContact CG2-CD1 4.19Å; T71-L75 WeakPolarHBondContact O-CG 3.41Å; T71-L75 PolarHBondContact O-N 3.01Å; A72-L75 PolarHBondContact O-N 2.9Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 2.85Å; L75-S78 WeakPolarHBondContact O-CB 3.47Å; L75-S78 PolarHBondContact O-N 3.22Å; L75-R79 PolarHBondContact O-N 3.43Å; L75-R79 VanDerWaalsContact O-N 3.1Å
76	I	91.9	Very high	86.5	Confident	115 Å²	115	75.2 Å²	75.2	59%	0.59	39%	0.385	S	S	*	.	H	α-helix	trans	-60.5	-49.5	179.1	-68.4	166.9	0	0	0	110.1	A72 T73 S78 R79 Y80	A72-I76 VanDerWaalsContact O-CG1 3.29Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.37Å; T73-I76 PolarHBondContact O-N 3.27Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.19Å; I76-R79 PolarHBondContact O-N 3.42Å; I76-Y80 PolarHBondContact O-N 3.1Å
77	W	88.3	Confident	86.5	Confident	133 Å²	133	74.4 Å²	74.4	50%	0.504	38%	0.38	S	S	.	.	H	α-helix	trans	-70.6	-29.4	-178.7	-73.1	112.1	0	0	0	112.8	T73 Y80 S81 N95	T73-W77 WeakPolarHBondContact O-CB 3.45Å; T73-W77 PolarHBondContact O-N 2.98Å; W77-Y80 AromaticContact CE3-CD1 3.85Å; W77-Y80 HydrophobicContact CE3-CD1 3.85Å; W77-Y80 HydrophobicContact CE3-CG 4.45Å; W77-Y80 AromaticContact CZ3-CD1 3.63Å; W77-Y80 HydrophobicContact CZ3-CD1 3.63Å; W77-Y80 HydrophobicContact CZ3-CE1 4.03Å; W77-Y80 HydrophobicContact CZ3-CG 4.47Å; W77-Y80 PolarHBondContact O-N 3.46Å; W77-S81 WeakPolarHBondContact O-CB 3.47Å; W77-S81 PolarHBondContact O-N 3.45Å; W77-S81 PolarHBondContact O-OG 3.34Å; W77-N95 HydrophobicContact CB-CB 3.96Å; W77-N95 VanDerWaalsContact CB-CG 3.43Å; W77-N95 WeakPolarHBondContact CB-OD1 3.42Å
78	S	89.6	Confident	86.5	Confident	7 Å²	7	75.1 Å²	75.1	5%	0.049	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-50.4	170.6	-64.2	0	0	0	0	110.6	G74 L75 I76 Y80 S81 F92 N95 F96	G74-S78 VanDerWaalsContact O-CB 3.23Å; G74-S78 WeakPolarHBondContact O-CB 3.24Å; G74-S78 PolarHBondContact O-N 2.71Å; G74-S78 PolarHBondContact O-OG 3.36Å; L75-S78 WeakPolarHBondContact O-CB 3.47Å; L75-S78 PolarHBondContact O-N 3.22Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.19Å; S78-Y80 PolarHBondContact O-N 3.49Å; S78-S81 PolarHBondContact O-N 3.39Å; S78-S81 PolarHBondContact O-OG 2.95Å; S78-F92 WeakPolarHBondContact O-CD2 3.39Å; S78-N95 VanDerWaalsContact OG-C 3.25Å; S78-F96 VanDerWaalsContact OG-CA 3.22Å; S78-F96 WeakPolarHBondContact OG-CA 3.43Å; S78-F96 PolarHBondContact OG-N 3.2Å
79	R	89.8	Confident	86.3	Confident	198 Å²	198	81.2 Å²	81.2	75%	0.747	40%	0.398	S	S	*	.	H	α-helix	trans	-62.1	-43.7	177	-178.6	165.4	176.1	-140.1	-0.3	112	L75 I76 S81 L82 V83	L75-R79 PolarHBondContact O-N 3.43Å; L75-R79 VanDerWaalsContact O-N 3.1Å; I76-R79 PolarHBondContact O-N 3.42Å; R79-S81 VanDerWaalsContact C-N 3.32Å; R79-S81 PolarHBondContact O-N 2.99Å; R79-L82 PolarHBondContact O-N 2.95Å; R79-V83 PolarHBondContact O-N 3.28Å
80	Y	86.9	Confident	86.2	Confident	129 Å²	129	79.1 Å²	79.1	51%	0.506	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-39.3	-179.4	-167.1	-112.2	0	0	0	112.4	I76 W77 S78 L82 V83 I84	I76-Y80 PolarHBondContact O-N 3.1Å; W77-Y80 AromaticContact CE3-CD1 3.85Å; W77-Y80 HydrophobicContact CE3-CD1 3.85Å; W77-Y80 HydrophobicContact CE3-CG 4.45Å; W77-Y80 AromaticContact CZ3-CD1 3.63Å; W77-Y80 HydrophobicContact CZ3-CD1 3.63Å; W77-Y80 HydrophobicContact CZ3-CE1 4.03Å; W77-Y80 HydrophobicContact CZ3-CG 4.47Å; W77-Y80 PolarHBondContact O-N 3.46Å; S78-Y80 PolarHBondContact O-N 3.49Å; Y80-L82 PolarHBondContact O-N 3.37Å; Y80-V83 PolarHBondContact O-N 3.05Å; Y80-I84 HydrophobicContact CD1-CD1 3.39Å; Y80-I84 HydrophobicContact CD1-CG1 4.03Å; Y80-I84 HydrophobicContact CE1-CD1 3.32Å; Y80-I84 HydrophobicContact CE1-CG1 3.78Å; Y80-I84 HydrophobicContact CG-CD1 4.29Å; Y80-I84 WeakPolarHBondContact O-CG1 3.49Å; Y80-I84 PolarHBondContact O-N 3.36Å; Y80-I84 VanDerWaalsContact O-N 3.16Å
81	S	86.1	Confident	86	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-23	178.8	70.1	0	0	0	0	114.8	W77 S78 R79 F92	W77-S81 WeakPolarHBondContact O-CB 3.47Å; W77-S81 PolarHBondContact O-N 3.45Å; W77-S81 PolarHBondContact O-OG 3.34Å; S78-S81 PolarHBondContact O-N 3.39Å; S78-S81 PolarHBondContact O-OG 2.95Å; R79-S81 VanDerWaalsContact C-N 3.32Å; R79-S81 PolarHBondContact O-N 2.99Å; S81-F92 WeakPolarHBondContact OG-CA 3.41Å; S81-F92 VanDerWaalsContact OG-CB 3.22Å; S81-F92 WeakPolarHBondContact OG-CB 3.47Å; S81-F92 PolarHBondContact OG-N 3.26Å
82	L	85	Confident	86	Confident	65 Å²	65	79.4 Å²	79.4	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-85.8	-19.3	176.2	-62.6	176.1	0	0	0	113.1	R79 Y80 W89 F92	R79-L82 PolarHBondContact O-N 2.95Å; Y80-L82 PolarHBondContact O-N 3.37Å; L82-W89 HydrophobicContact CD2-CE3 4.2Å; L82-W89 HydrophobicContact CD2-CH2 4.4Å; L82-W89 HydrophobicContact CD2-CZ3 3.88Å; L82-F92 HydrophobicContact CD1-CD2 3.84Å; L82-F92 HydrophobicContact CD1-CE2 3.73Å; L82-F92 HydrophobicContact CD2-CB 4.11Å; L82-F92 HydrophobicContact CD2-CD2 3.77Å; L82-F92 HydrophobicContact CD2-CE2 4.34Å; L82-F92 HydrophobicContact CD2-CG 3.87Å; L82-F92 HydrophobicContact CG-CD2 3.66Å; L82-F92 HydrophobicContact CG-CE2 4.11Å; L82-F92 HydrophobicContact CG-CG 4.27Å
83	V	88.8	Confident	85.9	Confident	100 Å²	100	78.2 Å²	78.2	61%	0.606	37%	0.372	S	S	*	.	H	α-helix	trans	-88.8	-30	179.3	176.4	0	0	0	0	111.5	R79 Y80	R79-V83 PolarHBondContact O-N 3.28Å; Y80-V83 PolarHBondContact O-N 3.05Å
84	I	84.1	Confident	85.7	Confident	57 Å²	57	75.8 Å²	75.8	29%	0.292	36%	0.357	S	S	.	.	S	Bend	trans	-65.9	135.6	177.6	-64.7	160.5	0	0	0	110.9	Y80 P86 K87	Y80-I84 HydrophobicContact CD1-CD1 3.39Å; Y80-I84 HydrophobicContact CD1-CG1 4.03Å; Y80-I84 HydrophobicContact CE1-CD1 3.32Å; Y80-I84 HydrophobicContact CE1-CG1 3.78Å; Y80-I84 HydrophobicContact CG-CD1 4.29Å; Y80-I84 WeakPolarHBondContact O-CG1 3.49Å; Y80-I84 PolarHBondContact O-N 3.36Å; Y80-I84 VanDerWaalsContact O-N 3.16Å; I84-P86 CarbonylContact O-C 3.37Å; I84-K87 WeakPolarHBondContact O-CA 3.36Å; I84-K87 PolarHBondContact O-N 3.39Å
85	I	79.6	Confident	85.8	Confident	156 Å²	156	76 Å²	76	80%	0.8	36%	0.358	S	S	*	.	S	Bend	trans	-108.1	130.4	175.1	-57.2	174.7	0	0	0	109
86	P	77.8	Confident	85.8	Confident	57 Å²	57	75.3 Å²	75.3	37%	0.37	35%	0.351	S	S	.	.	S	Bend	cis	-73.7	148.5	-4.4	31.6	-35.4	0	0	0	112.2	P30 I84 N88	P30-P86 HydrophobicContact CB-CG 4.01Å; P30-P86 HydrophobicContact CG-CB 4.05Å; P30-P86 HydrophobicContact CG-CG 3.91Å; I84-P86 CarbonylContact O-C 3.37Å; P86-N88 PolarHBondContact O-N 2.96Å
87	K	78.6	Confident	85.6	Confident	117 Å²	117	74.4 Å²	74.4	51%	0.509	34%	0.343	S	S	.	.			trans	-63.1	126.4	-177.6	-66.4	-179.6	-179.1	175.3	0	110.9	I84	I84-K87 WeakPolarHBondContact O-CA 3.36Å; I84-K87 PolarHBondContact O-N 3.39Å
88	N	82.8	Confident	85.6	Confident	18 Å²	18	68.8 Å²	68.8	10%	0.096	32%	0.323	C	S	.	.			trans	-110.6	96.5	177.7	-173.6	-20.7	0	0	0	110.5	F37 P86 N90 L91 F92	F37-N88 PolarHBondContact O-ND2 2.92Å; P86-N88 PolarHBondContact O-N 2.96Å; N88-N90 VanDerWaalsContact C-N 3.26Å; N88-N90 PolarHBondContact O-N 3.43Å; N88-N90 WeakPolarHBondContact OD1-CB 3.47Å; N88-N90 PolarHBondContact OD1-N 3.17Å; N88-N90 VanDerWaalsContact OD1-N 3.1Å; N88-L91 HydrophobicContact CB-CB 3.9Å; N88-L91 WeakPolarHBondContact O-CB 3.41Å; N88-L91 PolarHBondContact O-N 3.47Å; N88-L91 PolarHBondContact OD1-N 3.49Å; N88-F92 PolarHBondContact O-N 3.44Å
89	W	81.9	Confident	85.5	Confident	168 Å²	168	68.6 Å²	68.6	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-64	-27.8	-179.4	-65.6	102.8	0	0	0	113.6	L82 F92 A93	L82-W89 HydrophobicContact CD2-CE3 4.2Å; L82-W89 HydrophobicContact CD2-CH2 4.4Å; L82-W89 HydrophobicContact CD2-CZ3 3.88Å; W89-F92 HydrophobicContact CE3-CD1 4.38Å; W89-F92 WeakPolarHBondContact O-CB 3.21Å; W89-F92 PolarHBondContact O-N 2.89Å; W89-A93 WeakPolarHBondContact O-CB 3.2Å; W89-A93 PolarHBondContact O-N 3.04Å
90	N	84	Confident	85.4	Confident	43 Å²	43	61.1 Å²	61.1	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-40.3	175.9	-166.8	7.7	0	0	0	111	P41 W45 N88 F92 A93 V94	P41-N90 HydrophobicContact CB-CB 4.15Å; W45-N90 PolarHBondContact NE1-OD1 3.32Å; N88-N90 VanDerWaalsContact C-N 3.26Å; N88-N90 PolarHBondContact O-N 3.43Å; N88-N90 WeakPolarHBondContact OD1-CB 3.47Å; N88-N90 PolarHBondContact OD1-N 3.17Å; N88-N90 VanDerWaalsContact OD1-N 3.1Å; N90-F92 VanDerWaalsContact C-N 3.29Å; N90-F92 PolarHBondContact O-N 3.12Å; N90-A93 PolarHBondContact O-N 3.05Å; N90-V94 PolarHBondContact O-N 3.36Å
91	L	83.6	Confident	85.4	Confident	45 Å²	45	55.6 Å²	55.6	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-37.4	172.7	-174.1	66.8	0	0	0	111.5	P41 N88 V94 N95	P41-L91 HydrophobicContact CG-CB 3.96Å; P41-L91 HydrophobicContact CG-CD1 4.04Å; N88-L91 HydrophobicContact CB-CB 3.9Å; N88-L91 WeakPolarHBondContact O-CB 3.41Å; N88-L91 PolarHBondContact O-N 3.47Å; N88-L91 PolarHBondContact OD1-N 3.49Å; L91-V94 WeakPolarHBondContact O-CG1 3.5Å; L91-N95 PolarHBondContact O-N 2.93Å; L91-N95 PolarHBondContact O-ND2 3.11Å
92	F	87.3	Confident	85.3	Confident	54 Å²	54	55.5 Å²	55.5	24%	0.237	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-55	171.1	170.2	-103.2	0	0	0	111.6	S78 S81 L82 N88 W89 N90 V94 N95 F96	S78-F92 WeakPolarHBondContact O-CD2 3.39Å; S81-F92 WeakPolarHBondContact OG-CA 3.41Å; S81-F92 VanDerWaalsContact OG-CB 3.22Å; S81-F92 WeakPolarHBondContact OG-CB 3.47Å; S81-F92 PolarHBondContact OG-N 3.26Å; L82-F92 HydrophobicContact CD1-CD2 3.84Å; L82-F92 HydrophobicContact CD1-CE2 3.73Å; L82-F92 HydrophobicContact CD2-CB 4.11Å; L82-F92 HydrophobicContact CD2-CD2 3.77Å; L82-F92 HydrophobicContact CD2-CE2 4.34Å; L82-F92 HydrophobicContact CD2-CG 3.87Å; L82-F92 HydrophobicContact CG-CD2 3.66Å; L82-F92 HydrophobicContact CG-CE2 4.11Å; L82-F92 HydrophobicContact CG-CG 4.27Å; N88-F92 PolarHBondContact O-N 3.44Å; W89-F92 HydrophobicContact CE3-CD1 4.38Å; W89-F92 WeakPolarHBondContact O-CB 3.21Å; W89-F92 PolarHBondContact O-N 2.89Å; N90-F92 VanDerWaalsContact C-N 3.29Å; N90-F92 PolarHBondContact O-N 3.12Å; F92-V94 VanDerWaalsContact C-N 3.34Å; F92-V94 PolarHBondContact O-N 3.02Å; F92-N95 PolarHBondContact O-N 3.14Å; F92-F96 HydrophobicContact CZ-CB 4.35Å; F92-F96 HydrophobicContact CZ-CD2 4.36Å; F92-F96 HydrophobicContact CZ-CG 4.43Å; F92-F96 WeakPolarHBondContact O-CB 3.47Å; F92-F96 PolarHBondContact O-N 3.32Å
93	A	87.6	Confident	85.4	Confident	22 Å²	22	54.4 Å²	54.4	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-55.2	-49	-176	0	0	0	0	0	111.4	W45 W89 N90 N95 F96 F97	W45-A93 HydrophobicContact CZ2-CB 4.07Å; W89-A93 WeakPolarHBondContact O-CB 3.2Å; W89-A93 PolarHBondContact O-N 3.04Å; N90-A93 PolarHBondContact O-N 3.05Å; A93-N95 PolarHBondContact O-N 3.33Å; A93-F96 WeakPolarHBondContact O-CB 3.45Å; A93-F96 PolarHBondContact O-N 3.03Å; A93-F97 HydrophobicContact CB-CD2 4.4Å; A93-F97 HydrophobicContact CB-CE2 4.39Å; A93-F97 WeakPolarHBondContact O-CD2 3.1Å; A93-F97 PolarHBondContact O-N 3.38Å
94	V	87.6	Confident	85.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-39.7	-177.5	73.6	0	0	0	0	112.6	P41 K44 W45 V48 N90 L91 F92 V98	P41-V94 HydrophobicContact CB-CG1 4.33Å; K44-V94 HydrophobicContact CB-CG1 4.35Å; K44-V94 HydrophobicContact CB-CG2 3.83Å; K44-V94 HydrophobicContact CD-CG1 3.91Å; K44-V94 HydrophobicContact CD-CG2 4.25Å; K44-V94 HydrophobicContact CG-CG1 4.29Å; K44-V94 HydrophobicContact CG-CG2 3.76Å; W45-V94 HydrophobicContact CD2-CG2 4.24Å; W45-V94 HydrophobicContact CG-CG2 4.16Å; V48-V94 HydrophobicContact CG2-CG2 3.88Å; N90-V94 PolarHBondContact O-N 3.36Å; L91-V94 WeakPolarHBondContact O-CG1 3.5Å; F92-V94 VanDerWaalsContact C-N 3.34Å; F92-V94 PolarHBondContact O-N 3.02Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.43Å; V94-V98 PolarHBondContact O-N 3.42Å
95	N	89.3	Confident	85	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-71.4	-35.5	177.3	-74.9	-69.6	0	0	0	112	K44 G74 W77 S78 L91 F92 A93 G99	K44-N95 PolarHBondContact NZ-OD1 3.05Å; G74-N95 CarbonylContact C-O 3.54Å; G74-N95 VanDerWaalsContact CA-O 3.22Å; G74-N95 WeakPolarHBondContact CA-O 3.47Å; W77-N95 HydrophobicContact CB-CB 3.96Å; W77-N95 VanDerWaalsContact CB-CG 3.43Å; W77-N95 WeakPolarHBondContact CB-OD1 3.42Å; S78-N95 VanDerWaalsContact OG-C 3.25Å; L91-N95 PolarHBondContact O-N 2.93Å; L91-N95 PolarHBondContact O-ND2 3.11Å; F92-N95 PolarHBondContact O-N 3.14Å; A93-N95 PolarHBondContact O-N 3.33Å; N95-G99 PolarHBondContact O-N 3.45Å
96	F	90.3	Very high	85.2	Confident	91 Å²	91	45.5 Å²	45.5	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-50.3	176.1	178	-100.3	0	0	0	110.4	S78 F92 A93 V98 G99 S100	S78-F96 VanDerWaalsContact OG-CA 3.22Å; S78-F96 WeakPolarHBondContact OG-CA 3.43Å; S78-F96 PolarHBondContact OG-N 3.2Å; F92-F96 HydrophobicContact CZ-CB 4.35Å; F92-F96 HydrophobicContact CZ-CD2 4.36Å; F92-F96 HydrophobicContact CZ-CG 4.43Å; F92-F96 WeakPolarHBondContact O-CB 3.47Å; F92-F96 PolarHBondContact O-N 3.32Å; A93-F96 WeakPolarHBondContact O-CB 3.45Å; A93-F96 PolarHBondContact O-N 3.03Å; F96-V98 PolarHBondContact O-N 3.04Å; F96-G99 CarbonylContact O-C 3.59Å; F96-G99 WeakPolarHBondContact O-CA 3.22Å; F96-G99 PolarHBondContact O-N 2.69Å; F96-G99 VanDerWaalsContact O-N 3.12Å; F96-S100 PolarHBondContact O-N 2.75Å; F96-S100 PolarHBondContact O-OG 2.94Å
97	F	89.2	Confident	85.4	Confident	96 Å²	96	50 Å²	50	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-37.8	178.8	-77.4	-69.4	0	0	0	113.2	W45 V48 A93 G99 S100 A101	W45-F97 AromaticContact CH2-CD2 3.29Å; W45-F97 HydrophobicContact CH2-CD2 3.29Å; W45-F97 AromaticContact CH2-CE2 3.64Å; W45-F97 HydrophobicContact CH2-CE2 3.64Å; W45-F97 HydrophobicContact CH2-CG 4.11Å; W45-F97 HydrophobicContact CZ2-CD2 4.14Å; W45-F97 HydrophobicContact CZ2-CE2 4.46Å; W45-F97 HydrophobicContact CZ3-CB 4.46Å; W45-F97 AromaticContact CZ3-CD2 3.89Å; W45-F97 HydrophobicContact CZ3-CD2 3.89Å; W45-F97 HydrophobicContact CZ3-CE2 4.47Å; W45-F97 HydrophobicContact CZ3-CG 4.26Å; V48-F97 HydrophobicContact CG1-CB 3.83Å; V48-F97 HydrophobicContact CG2-CB 3.93Å; A93-F97 HydrophobicContact CB-CD2 4.4Å; A93-F97 HydrophobicContact CB-CE2 4.39Å; A93-F97 WeakPolarHBondContact O-CD2 3.1Å; A93-F97 PolarHBondContact O-N 3.38Å; F97-G99 VanDerWaalsContact C-N 3.32Å; F97-G99 PolarHBondContact O-N 3.16Å; F97-S100 PolarHBondContact O-N 3.05Å; F97-A101 WeakPolarHBondContact O-CB 3.35Å; F97-A101 PolarHBondContact O-N 3.31Å
98	V	88.1	Confident	85.4	Confident	16 Å²	16	49 Å²	49	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-44.9	171.4	169.3	0	0	0	0	110.7	L47 V48 L70 V94 F96 A101 G102	L47-V98 HydrophobicContact CB-CG2 4.38Å; V48-V98 HydrophobicContact CG2-CG2 3.61Å; L70-V98 HydrophobicContact CD2-CG1 4.09Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.43Å; V94-V98 PolarHBondContact O-N 3.42Å; F96-V98 PolarHBondContact O-N 3.04Å; V98-A101 PolarHBondContact O-N 3.43Å; V98-G102 PolarHBondContact O-N 3.29Å
99	G	87.7	Confident	85.2	Confident	3 Å²	3	48.5 Å²	48.5	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-44	176.7	0	0	0	0	0	112.7	N95 F96 F97 G102 A103	N95-G99 PolarHBondContact O-N 3.45Å; F96-G99 CarbonylContact O-C 3.59Å; F96-G99 WeakPolarHBondContact O-CA 3.22Å; F96-G99 PolarHBondContact O-N 2.69Å; F96-G99 VanDerWaalsContact O-N 3.12Å; F97-G99 VanDerWaalsContact C-N 3.32Å; F97-G99 PolarHBondContact O-N 3.16Å; G99-G102 PolarHBondContact O-N 3.07Å; G99-A103 WeakPolarHBondContact O-CB 3.48Å; G99-A103 PolarHBondContact O-N 3.5Å
100	S	87.6	Confident	85.1	Confident	41 Å²	41	48.7 Å²	48.7	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-39.1	177.9	-55.8	0	0	0	0	112.7	F96 F97 A103 S104	F96-S100 PolarHBondContact O-N 2.75Å; F96-S100 PolarHBondContact O-OG 2.94Å; F97-S100 PolarHBondContact O-N 3.05Å; S100-A103 PolarHBondContact O-N 2.93Å; S100-S104 WeakPolarHBondContact O-CB 3.4Å; S100-S104 PolarHBondContact O-N 3.26Å; S100-S104 PolarHBondContact O-OG 2.96Å
101	A	86.1	Confident	85.1	Confident	12 Å²	12	49.6 Å²	49.6	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-47	175.1	0	0	0	0	0	110.8	F97 V98 A103 S104 Q105	F97-A101 WeakPolarHBondContact O-CB 3.35Å; F97-A101 PolarHBondContact O-N 3.31Å; V98-A101 PolarHBondContact O-N 3.43Å; A101-A103 VanDerWaalsContact C-N 3.33Å; A101-A103 PolarHBondContact O-N 2.77Å; A101-S104 PolarHBondContact O-N 2.9Å; A101-Q105 WeakPolarHBondContact O-CG 3.04Å; A101-Q105 PolarHBondContact O-N 2.89Å
102	G	85	Confident	84.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-41.2	174.4	0	0	0	0	0	112.8	T71 V98 G99 Q105 L106	T71-G102 PolarHBondContact OG1-O 3.11Å; V98-G102 PolarHBondContact O-N 3.29Å; G99-G102 PolarHBondContact O-N 3.07Å; G102-Q105 PolarHBondContact O-N 2.73Å; G102-L106 WeakPolarHBondContact O-CB 3.41Å; G102-L106 PolarHBondContact O-N 3.26Å
103	A	85.8	Confident	84.6	Confident	41 Å²	41	53 Å²	53	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-40.8	178.1	0	0	0	0	0	111.7	T71 G99 S100 A101 L106 Y107	T71-A103 HydrophobicContact CG2-CB 3.97Å; T71-A103 WeakPolarHBondContact OG1-CA 3.28Å; T71-A103 PolarHBondContact OG1-N 3.2Å; G99-A103 WeakPolarHBondContact O-CB 3.48Å; G99-A103 PolarHBondContact O-N 3.5Å; S100-A103 PolarHBondContact O-N 2.93Å; A101-A103 VanDerWaalsContact C-N 3.33Å; A101-A103 PolarHBondContact O-N 2.77Å; A103-L106 PolarHBondContact O-N 3.44Å; A103-Y107 PolarHBondContact O-N 2.8Å
104	S	84.4	Confident	84.3	Confident	61 Å²	61	56.8 Å²	56.8	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-41.1	176.6	-56.4	0	0	0	0	111.4	S100 A101 R108	S100-S104 WeakPolarHBondContact O-CB 3.4Å; S100-S104 PolarHBondContact O-N 3.26Å; S100-S104 PolarHBondContact O-OG 2.96Å; A101-S104 PolarHBondContact O-N 2.9Å; S104-R108 WeakPolarHBondContact O-CG 3.47Å; S104-R108 PolarHBondContact O-N 3.18Å
105	Q	80.7	Confident	84	Confident	7 Å²	7	62.4 Å²	62.4	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-43.1	173.6	-70.5	177	-50.1	0	0	111.5	D54 L62 A101 G102 Y107 R108 I109	D54-Q105 PolarHBondContact OD2-NE2 3.23Å; L62-Q105 HydrophobicContact CD2-CB 4.49Å; L62-Q105 HydrophobicContact CD2-CG 4.31Å; A101-Q105 WeakPolarHBondContact O-CG 3.04Å; A101-Q105 PolarHBondContact O-N 2.89Å; G102-Q105 PolarHBondContact O-N 2.73Å; Q105-Y107 PolarHBondContact O-N 3.2Å; Q105-R108 PolarHBondContact O-N 3.01Å; Q105-I109 WeakPolarHBondContact O-CG1 3.32Å; Q105-I109 PolarHBondContact O-N 2.99Å; Q105-I109 VanDerWaalsContact O-N 3.07Å
106	L	82.9	Confident	83.6	Confident	58 Å²	58	65.6 Å²	65.6	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-42.3	178.2	-168.9	69.5	0	0	0	112.1	T64 A68 G102 A103 R108 I109 W110	T64-L106 HydrophobicContact CG2-CD1 3.78Å; A68-L106 HydrophobicContact CB-CD1 4.39Å; G102-L106 WeakPolarHBondContact O-CB 3.41Å; G102-L106 PolarHBondContact O-N 3.26Å; A103-L106 PolarHBondContact O-N 3.44Å; L106-R108 PolarHBondContact O-N 2.7Å; L106-I109 PolarHBondContact O-N 2.86Å; L106-W110 PolarHBondContact O-N 3.48Å
107	Y	83.3	Confident	83.3	Confident	153 Å²	153	67.6 Å²	67.6	60%	0.6	32%	0.32	S	S	*	.	H	α-helix	trans	-60.5	-42.6	175.8	178.8	-102.5	0	0	0	112.1	A103 Q105 I109 W110 N111	A103-Y107 PolarHBondContact O-N 2.8Å; Q105-Y107 PolarHBondContact O-N 3.2Å; Y107-I109 PolarHBondContact O-N 3.18Å; Y107-W110 WeakPolarHBondContact O-CB 3.33Å; Y107-W110 PolarHBondContact O-N 3.45Å; Y107-N111 VanDerWaalsContact CE1-ND2 3.32Å; Y107-N111 WeakPolarHBondContact CE1-ND2 3.38Å; Y107-N111 PolarHBondContact O-N 3.33Å; Y107-N111 VanDerWaalsContact O-N 3.08Å; Y107-N111 PolarHBondContact OH-ND2 3.1Å
108	R	78.8	Confident	82.9	Confident	96 Å²	96	65.6 Å²	65.6	36%	0.362	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-41.4	176.6	-70.4	175.1	65.4	-165.2	0	112.6	M55 S104 Q105 L106 W110 N111 Y112	M55-R108 PolarHBondContact O-NH1 3.5Å; M55-R108 PolarHBondContact O-NH2 3.37Å; S104-R108 WeakPolarHBondContact O-CG 3.47Å; S104-R108 PolarHBondContact O-N 3.18Å; Q105-R108 PolarHBondContact O-N 3.01Å; L106-R108 PolarHBondContact O-N 2.7Å; R108-W110 VanDerWaalsContact C-N 3.31Å; R108-W110 PolarHBondContact O-N 3.03Å; R108-N111 PolarHBondContact O-N 2.91Å; R108-Y112 PolarHBondContact O-N 3.22Å; R108-Y112 VanDerWaalsContact O-N 3.08Å
109	I	78.7	Confident	82.6	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-40.8	175.5	-64	166	0	0	0	110.6	L62 T64 Q105 L106 Y107 Y112 K113	L62-I109 HydrophobicContact CB-CD1 3.89Å; L62-I109 HydrophobicContact CB-CG1 4.02Å; T64-I109 HydrophobicContact CG2-CG2 4.3Å; Q105-I109 WeakPolarHBondContact O-CG1 3.32Å; Q105-I109 PolarHBondContact O-N 2.99Å; Q105-I109 VanDerWaalsContact O-N 3.07Å; L106-I109 PolarHBondContact O-N 2.86Å; Y107-I109 PolarHBondContact O-N 3.18Å; I109-Y112 PolarHBondContact O-N 3.33Å; I109-K113 HydrophobicContact CG2-CD 4.35Å; I109-K113 WeakPolarHBondContact O-CG 3.3Å; I109-K113 PolarHBondContact O-N 3.17Å
110	W	79.7	Confident	82.3	Confident	172 Å²	172	78.1 Å²	78.1	65%	0.652	38%	0.375	S	S	*	.	H	α-helix	trans	-59	-51.5	177	-177.5	-66.4	0	0	0	111.3	L106 Y107 R108 Y112 K113 Q114	L106-W110 PolarHBondContact O-N 3.48Å; Y107-W110 WeakPolarHBondContact O-CB 3.33Å; Y107-W110 PolarHBondContact O-N 3.45Å; R108-W110 VanDerWaalsContact C-N 3.31Å; R108-W110 PolarHBondContact O-N 3.03Å; W110-Y112 VanDerWaalsContact C-N 3.31Å; W110-Y112 PolarHBondContact O-N 2.91Å; W110-K113 PolarHBondContact O-N 3.46Å; W110-Q114 WeakPolarHBondContact O-CG 3.48Å; W110-Q114 PolarHBondContact O-N 3.46Å; W110-Q114 VanDerWaalsContact O-N 3.12Å
111	N	82.8	Confident	81.7	Confident	62 Å²	62	80.3 Å²	80.3	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-59	-43.9	179.5	-75.6	-1.3	0	0	0	111.5	Y107 R108 K113 Q114 E115	Y107-N111 VanDerWaalsContact CE1-ND2 3.32Å; Y107-N111 WeakPolarHBondContact CE1-ND2 3.38Å; Y107-N111 PolarHBondContact O-N 3.33Å; Y107-N111 VanDerWaalsContact O-N 3.08Å; Y107-N111 PolarHBondContact OH-ND2 3.1Å; R108-N111 PolarHBondContact O-N 2.91Å; N111-K113 PolarHBondContact O-N 3.29Å; N111-Q114 PolarHBondContact O-N 3.07Å; N111-Q114 VanDerWaalsContact O-N 3.16Å; N111-E115 PolarHBondContact O-N 3.08Å
112	Y	80.6	Confident	81.1	Confident	67 Å²	67	88.1 Å²	88.1	26%	0.263	43%	0.43	S	S	.	.	H	α-helix	trans	-60.9	-41.8	177.7	-178.2	-109.6	0	0	0	113.2	A59 D60 R108 I109 W110 Q114 E115 L116	A59-Y112 HydrophobicContact CB-CG 4.34Å; D60-Y112 WeakPolarHBondContact OD1-CE1 3.09Å; D60-Y112 PolarHBondContact OD1-OH 3.03Å; D60-Y112 PolarHBondContact OD2-OH 3.07Å; R108-Y112 PolarHBondContact O-N 3.22Å; R108-Y112 VanDerWaalsContact O-N 3.08Å; I109-Y112 PolarHBondContact O-N 3.33Å; W110-Y112 VanDerWaalsContact C-N 3.31Å; W110-Y112 PolarHBondContact O-N 2.91Å; Y112-Q114 VanDerWaalsContact C-N 3.3Å; Y112-Q114 PolarHBondContact O-N 3.45Å; Y112-E115 PolarHBondContact O-N 3.47Å; Y112-L116 HydrophobicContact CD1-CD1 3.95Å; Y112-L116 HydrophobicContact CE1-CD1 3.39Å; Y112-L116 HydrophobicContact CE1-CG 4.18Å; Y112-L116 HydrophobicContact CE2-CG 4.48Å; Y112-L116 PolarHBondContact O-N 3.34Å
113	K	80.5	Confident	79.8	Confident	104 Å²	104	95.2 Å²	95.2	45%	0.452	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-32.9	175.8	-74.3	-175.5	179.9	-177.5	0	112.9	T64 I109 W110 N111 K117	T64-K113 PolarHBondContact OG1-NZ 3.32Å; I109-K113 HydrophobicContact CG2-CD 4.35Å; I109-K113 WeakPolarHBondContact O-CG 3.3Å; I109-K113 PolarHBondContact O-N 3.17Å; W110-K113 PolarHBondContact O-N 3.46Å; N111-K113 PolarHBondContact O-N 3.29Å; K113-K117 WeakPolarHBondContact O-CG 3.3Å; K113-K117 PolarHBondContact O-N 3Å
114	Q	80.9	Confident	79.5	Confident	100 Å²	100	97.9 Å²	97.9	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-70.7	-40.7	176.5	-67.7	-68.1	85.3	0	0	111.6	W110 N111 Y112 K117 A118	W110-Q114 WeakPolarHBondContact O-CG 3.48Å; W110-Q114 PolarHBondContact O-N 3.46Å; W110-Q114 VanDerWaalsContact O-N 3.12Å; N111-Q114 PolarHBondContact O-N 3.07Å; N111-Q114 VanDerWaalsContact O-N 3.16Å; Y112-Q114 VanDerWaalsContact C-N 3.3Å; Y112-Q114 PolarHBondContact O-N 3.45Å; Q114-K117 PolarHBondContact O-N 3.12Å; Q114-A118 PolarHBondContact O-N 3.06Å
115	E	81.6	Confident	79.2	Confident	119 Å²	119	99.8 Å²	99.8	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-41.1	174.6	-71.8	177.2	-175.3	0	0	112.3	N111 Y112 A118 K119	N111-E115 PolarHBondContact O-N 3.08Å; Y112-E115 PolarHBondContact O-N 3.47Å; E115-A118 PolarHBondContact O-N 3.42Å; E115-K119 WeakPolarHBondContact O-CG 3.36Å; E115-K119 PolarHBondContact O-N 3.11Å; E115-K119 VanDerWaalsContact O-N 3.12Å
116	L	81.5	Confident	79.1	Confident	71 Å²	71	105 Å²	105	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-47	175	-81.3	171.1	0	0	0	112.2	Y112 A118 K119 E120	Y112-L116 HydrophobicContact CD1-CD1 3.95Å; Y112-L116 HydrophobicContact CE1-CD1 3.39Å; Y112-L116 HydrophobicContact CE1-CG 4.18Å; Y112-L116 HydrophobicContact CE2-CG 4.48Å; Y112-L116 PolarHBondContact O-N 3.34Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 2.94Å; L116-K119 PolarHBondContact O-N 2.85Å; L116-E120 PolarHBondContact O-N 3.45Å
117	K	82.6	Confident	78.9	Confident	133 Å²	133	107.8 Å²	107.8	58%	0.578	53%	0.528	S	S	*	.	H	α-helix	trans	-61.1	-37.4	177.1	-78.2	179.6	172.5	-175.6	0	112.9	K113 Q114 K119 A121	K113-K117 WeakPolarHBondContact O-CG 3.3Å; K113-K117 PolarHBondContact O-N 3Å; Q114-K117 PolarHBondContact O-N 3.12Å; K117-K119 VanDerWaalsContact C-N 3.35Å; K117-A121 WeakPolarHBondContact O-CB 3.48Å; K117-A121 PolarHBondContact O-N 3.23Å; K117-A121 VanDerWaalsContact O-N 3.13Å
118	A	82.6	Confident	78.6	Confident	54 Å²	54	104.9 Å²	104.9	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-41	176.6	0	0	0	0	0	111.4	Q114 E115 L116 A121 E122	Q114-A118 PolarHBondContact O-N 3.06Å; E115-A118 PolarHBondContact O-N 3.42Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 2.94Å; A118-A121 PolarHBondContact O-N 3.26Å; A118-E122 PolarHBondContact O-N 2.95Å
119	K	80.5	Confident	78.6	Confident	144 Å²	144	105.5 Å²	105.5	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-67.2	-39.5	176.5	-70.8	179.5	-178.6	-179.2	0	113.3	E115 L116 K117 A121 E122 S123	E115-K119 WeakPolarHBondContact O-CG 3.36Å; E115-K119 PolarHBondContact O-N 3.11Å; E115-K119 VanDerWaalsContact O-N 3.12Å; L116-K119 PolarHBondContact O-N 2.85Å; K117-K119 VanDerWaalsContact C-N 3.35Å; K119-A121 VanDerWaalsContact C-N 3.28Å; K119-A121 PolarHBondContact O-N 2.99Å; K119-E122 PolarHBondContact O-N 3.4Å; K119-S123 PolarHBondContact O-N 3.37Å
120	E	80.9	Confident	78.6	Confident	137 Å²	137	112.6 Å²	112.6	64%	0.64	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-28.4	174.9	-75.1	178.3	166.8	0	0	112.9	L116 S123	L116-E120 PolarHBondContact O-N 3.45Å; E120-S123 PolarHBondContact O-OG 3.45Å; E120-S123 VanDerWaalsContact O-OG 3.08Å
121	A	76.9	Confident	78.5	Confident	87 Å²	87	108 Å²	108	72%	0.719	56%	0.563	S	S	*	*	H	α-helix	trans	-78.7	-19.4	178	0	0	0	0	0	113.4	K117 A118 K119	K117-A121 WeakPolarHBondContact O-CB 3.48Å; K117-A121 PolarHBondContact O-N 3.23Å; K117-A121 VanDerWaalsContact O-N 3.13Å; A118-A121 PolarHBondContact O-N 3.26Å; K119-A121 VanDerWaalsContact C-N 3.28Å; K119-A121 PolarHBondContact O-N 2.99Å
122	E	72.3	Confident	78.2	Confident	177 Å²	177	111.8 Å²	111.8	83%	0.827	58%	0.582	S	S	*	*	H	α-helix	trans	-90.4	-15.6	176.7	-74.7	178.8	169.4	0	0	113.4	A118 K119	A118-E122 PolarHBondContact O-N 2.95Å; K119-E122 PolarHBondContact O-N 3.4Å
123	S	57.1	Low	77.9	Confident	149 Å²	149	115.9 Å²	115.9	100%	1.042	61%	0.611	S	S	*	*			trans	-93.7	0	177.5	65.6	0	0	0	0	113.1	K119 E120	K119-S123 PolarHBondContact O-N 3.37Å; E120-S123 PolarHBondContact O-OG 3.45Å; E120-S123 VanDerWaalsContact O-OG 3.08Å

Retrieved 123 of 123 residues in 39.3 ms (Link to these results)

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