G4VTQ2_SCHMA Loading...

Venom protein

AlphaFold DB , UniProt , Accession G4VTQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 aa.

						>G4VTQ2_SCHMA|G4VTQ2
MEMKVQVILILALSFKMVMNRVILVGGDCKLDCLKRSLMCDDRCKRMPFRGEICYLECRSTLSECLDKPCAKFAEDYYGRYS
					

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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	60.6	Low	79.1	Confident	207 Å²	207	129.6 Å²	129.6	100%	1.02	65%	0.653	S	S	*	*				0	-36.9	0	-140.8	165.4	158.3	0	0	111.3	M3 K4	M1-M3 PolarHBondContact O-N 3.48Å; M1-K4 PolarHBondContact O-N 3.19Å; M1-K4 VanDerWaalsContact O-N 3.17Å
2	E	71	Confident	79.3	Confident	164 Å²	164	123.3 Å²	123.3	77%	0.766	64%	0.635	S	S	*	*	H	α-helix	trans	-56	-39.8	179.5	-62.2	-178.5	112.2	0	0	115	K4 V5 Q6	E2-K4 VanDerWaalsContact C-N 3.25Å; E2-K4 PolarHBondContact O-N 3.39Å; E2-V5 PolarHBondContact O-N 3.46Å; E2-V5 VanDerWaalsContact O-N 3.09Å; E2-Q6 PolarHBondContact O-N 3.32Å
3	M	75.2	Confident	79.2	Confident	148 Å²	148	121.2 Å²	121.2	73%	0.729	63%	0.625	S	S	*	*	H	α-helix	trans	-57.7	-36.4	177.6	-66.3	-170.9	-64.6	0	0	113	M1 Q6 V7	M1-M3 PolarHBondContact O-N 3.48Å; M3-Q6 PolarHBondContact O-N 3.34Å; M3-V7 VanDerWaalsContact O-CG2 3.27Å; M3-V7 WeakPolarHBondContact O-CG2 3.31Å; M3-V7 PolarHBondContact O-N 2.97Å
4	K	79.3	Confident	79	Confident	158 Å²	158	116.2 Å²	116.2	69%	0.687	61%	0.606	S	S	*	*	H	α-helix	trans	-65.9	-41.1	178.2	-70.4	-175.7	175.5	-178.2	0	111.1	M1 E2 V7 I8	M1-K4 PolarHBondContact O-N 3.19Å; M1-K4 VanDerWaalsContact O-N 3.17Å; E2-K4 VanDerWaalsContact C-N 3.25Å; E2-K4 PolarHBondContact O-N 3.39Å; K4-V7 PolarHBondContact O-N 3.33Å; K4-I8 WeakPolarHBondContact O-CB 3.24Å; K4-I8 WeakPolarHBondContact O-CD1 3.4Å; K4-I8 WeakPolarHBondContact O-CG1 3.48Å; K4-I8 PolarHBondContact O-N 2.63Å
5	V	80.5	Confident	78.6	Confident	97 Å²	97	117.6 Å²	117.6	59%	0.588	61%	0.606	S	S	*	*	H	α-helix	trans	-64.8	-43.8	179.2	-178.4	0	0	0	0	110.5	E2 I8 L9	E2-V5 PolarHBondContact O-N 3.46Å; E2-V5 VanDerWaalsContact O-N 3.09Å; V5-I8 PolarHBondContact O-N 2.87Å; V5-L9 WeakPolarHBondContact O-CB 3.41Å; V5-L9 PolarHBondContact O-N 3.27Å
6	Q	81	Confident	77.9	Confident	129 Å²	129	118.6 Å²	118.6	60%	0.603	60%	0.604	S	S	*	*	H	α-helix	trans	-62.3	-44.8	176.6	-72.7	-173.5	-18.4	0	0	112.3	E2 M3 I8 L9 I10	E2-Q6 PolarHBondContact O-N 3.32Å; M3-Q6 PolarHBondContact O-N 3.34Å; Q6-I8 PolarHBondContact O-N 2.96Å; Q6-L9 PolarHBondContact O-N 3.32Å; Q6-I10 VanDerWaalsContact O-CG1 3.29Å; Q6-I10 WeakPolarHBondContact O-CG1 3.39Å; Q6-I10 PolarHBondContact O-N 3.49Å
7	V	84.1	Confident	77.1	Confident	85 Å²	85	118.9 Å²	118.9	52%	0.515	61%	0.605	S	S	.	*	H	α-helix	trans	-62.1	-43.9	177.1	172.8	0	0	0	0	111.3	M3 K4 L9 I10 L11	M3-V7 VanDerWaalsContact O-CG2 3.27Å; M3-V7 WeakPolarHBondContact O-CG2 3.31Å; M3-V7 PolarHBondContact O-N 2.97Å; K4-V7 PolarHBondContact O-N 3.33Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.85Å; V7-I10 PolarHBondContact O-N 2.88Å; V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 WeakPolarHBondContact O-CG 3.24Å; V7-L11 PolarHBondContact O-N 3.49Å
8	I	84.5	Confident	76.4	Confident	114 Å²	114	117.2 Å²	117.2	59%	0.585	60%	0.6	S	S	*	*	H	α-helix	trans	-61.5	-43.3	177.3	-68.6	164.2	0	0	0	110.9	K4 V5 Q6 L11 A12	K4-I8 WeakPolarHBondContact O-CB 3.24Å; K4-I8 WeakPolarHBondContact O-CD1 3.4Å; K4-I8 WeakPolarHBondContact O-CG1 3.48Å; K4-I8 PolarHBondContact O-N 2.63Å; V5-I8 PolarHBondContact O-N 2.87Å; Q6-I8 PolarHBondContact O-N 2.96Å; I8-L11 PolarHBondContact O-N 3.24Å; I8-A12 WeakPolarHBondContact O-CB 2.99Å; I8-A12 PolarHBondContact O-N 3.29Å
9	L	84.5	Confident	75.5	Confident	107 Å²	107	115.3 Å²	115.3	56%	0.56	59%	0.59	S	S	*	*	H	α-helix	trans	-62.7	-43.7	178.6	-174.3	67	0	0	0	111.8	V5 Q6 V7 A12 L13	V5-L9 WeakPolarHBondContact O-CB 3.41Å; V5-L9 PolarHBondContact O-N 3.27Å; Q6-L9 PolarHBondContact O-N 3.32Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.85Å; L9-A12 PolarHBondContact O-N 2.88Å; L9-L13 HydrophobicContact CG-CD1 4.31Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 3.3Å
10	I	85.6	Confident	74.4	Confident	104 Å²	104	113.7 Å²	113.7	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-63.6	-43.3	177.7	-67.4	165.4	0	0	0	111	Q6 V7 L13 S14	Q6-I10 VanDerWaalsContact O-CG1 3.29Å; Q6-I10 WeakPolarHBondContact O-CG1 3.39Å; Q6-I10 PolarHBondContact O-N 3.49Å; V7-I10 PolarHBondContact O-N 2.88Å; I10-L13 PolarHBondContact O-N 2.94Å; I10-S14 WeakPolarHBondContact O-CB 3.08Å; I10-S14 PolarHBondContact O-N 3.05Å; I10-S14 PolarHBondContact O-OG 3.41Å
11	L	83.9	Confident	73.4	Confident	113 Å²	113	117.4 Å²	117.4	59%	0.592	59%	0.589	S	S	*	*	H	α-helix	trans	-61.7	-43.5	175.7	-72.8	171	0	0	0	111.7	V7 I8 S14 F15	V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 WeakPolarHBondContact O-CG 3.24Å; V7-L11 PolarHBondContact O-N 3.49Å; I8-L11 PolarHBondContact O-N 3.24Å; L11-S14 PolarHBondContact O-N 3.36Å; L11-F15 WeakPolarHBondContact O-CB 3.21Å; L11-F15 PolarHBondContact O-N 2.92Å
12	A	81.2	Confident	73.2	Confident	54 Å²	54	111.9 Å²	111.9	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-43.1	178.4	0	0	0	0	0	112.3	I8 L9 F15 K16	I8-A12 WeakPolarHBondContact O-CB 2.99Å; I8-A12 PolarHBondContact O-N 3.29Å; L9-A12 PolarHBondContact O-N 2.88Å; A12-F15 PolarHBondContact O-N 3.36Å; A12-K16 WeakPolarHBondContact O-CB 3.49Å; A12-K16 PolarHBondContact O-N 2.93Å
13	L	78.1	Confident	72.4	Confident	96 Å²	96	109.5 Å²	109.5	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-63.5	-43.5	175.6	-71.6	172.2	0	0	0	111.4	L9 I10 K16 M17	L9-L13 HydrophobicContact CG-CD1 4.31Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 3.3Å; I10-L13 PolarHBondContact O-N 2.94Å; L13-K16 PolarHBondContact O-N 3.1Å; L13-M17 WeakPolarHBondContact O-CG 3.45Å; L13-M17 PolarHBondContact O-N 3.43Å
14	S	76	Confident	71.4	Confident	51 Å²	51	107.9 Å²	107.9	36%	0.357	55%	0.552	S	S	.	*	H	α-helix	trans	-61.8	-46.4	177.7	-56.8	0	0	0	0	111.3	I10 L11 K16 M17 V18	I10-S14 WeakPolarHBondContact O-CB 3.08Å; I10-S14 PolarHBondContact O-N 3.05Å; I10-S14 PolarHBondContact O-OG 3.41Å; L11-S14 PolarHBondContact O-N 3.36Å; S14-K16 PolarHBondContact O-N 3.01Å; S14-M17 PolarHBondContact O-N 2.96Å; S14-V18 WeakPolarHBondContact O-CG2 3.4Å; S14-V18 PolarHBondContact O-N 3.08Å
15	F	73	Confident	70.5	Confident	137 Å²	137	104.5 Å²	104.5	60%	0.601	55%	0.545	S	S	*	.	H	α-helix	trans	-61.7	-44.1	176.4	-172.1	-99.9	0	0	0	111.8	L11 A12 M17 V18 M19	L11-F15 WeakPolarHBondContact O-CB 3.21Å; L11-F15 PolarHBondContact O-N 2.92Å; A12-F15 PolarHBondContact O-N 3.36Å; F15-M17 VanDerWaalsContact C-N 3.34Å; F15-M17 PolarHBondContact O-N 2.8Å; F15-V18 PolarHBondContact O-N 3.17Å; F15-M19 HydrophobicContact CD1-CG 3.82Å; F15-M19 HydrophobicContact CE1-CE 4.42Å; F15-M19 HydrophobicContact CE1-CG 3.46Å; F15-M19 VanDerWaalsContact CE1-CG 3.46Å; F15-M19 HydrophobicContact CE1-SD 4.13Å; F15-M19 HydrophobicContact CE2-CG 4.25Å; F15-M19 HydrophobicContact CE2-SD 4.32Å; F15-M19 HydrophobicContact CG-CG 4.36Å; F15-M19 HydrophobicContact CZ-CE 4.28Å; F15-M19 HydrophobicContact CZ-CG 3.7Å; F15-M19 HydrophobicContact CZ-SD 3.79Å; F15-M19 WeakPolarHBondContact O-CB 3.42Å; F15-M19 VanDerWaalsContact O-CG 3.28Å; F15-M19 WeakPolarHBondContact O-CG 3.34Å; F15-M19 PolarHBondContact O-N 3.42Å
16	K	68.3	Low	69.4	Low	133 Å²	133	101.1 Å²	101.1	58%	0.578	53%	0.529	S	S	*	.	H	α-helix	trans	-60.4	-42	177.1	-173.9	176.4	179.2	177.7	0	112.1	A12 L13 S14 M19 N20	A12-K16 WeakPolarHBondContact O-CB 3.49Å; A12-K16 PolarHBondContact O-N 2.93Å; L13-K16 PolarHBondContact O-N 3.1Å; S14-K16 PolarHBondContact O-N 3.01Å; K16-M19 PolarHBondContact O-N 3.41Å; K16-N20 WeakPolarHBondContact O-CB 2.83Å; K16-N20 VanDerWaalsContact O-CG 3.27Å; K16-N20 PolarHBondContact O-N 2.04Å
17	M	63.8	Low	68.5	Low	125 Å²	125	96.7 Å²	96.7	62%	0.616	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-44.2	176.8	-71.4	-172.3	-66.3	0	0	111.9	L13 S14 F15 N20 R21	L13-M17 WeakPolarHBondContact O-CG 3.45Å; L13-M17 PolarHBondContact O-N 3.43Å; S14-M17 PolarHBondContact O-N 2.96Å; F15-M17 VanDerWaalsContact C-N 3.34Å; F15-M17 PolarHBondContact O-N 2.8Å; M17-N20 PolarHBondContact O-N 3.4Å; M17-R21 WeakPolarHBondContact O-CB 2.82Å; M17-R21 PolarHBondContact O-N 1.96Å
18	V	64.8	Low	67.7	Low	87 Å²	87	97.5 Å²	97.5	53%	0.527	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-48.6	176.8	174.1	0	0	0	0	110.6	S14 F15 N20 R21 V22	S14-V18 WeakPolarHBondContact O-CG2 3.4Å; S14-V18 PolarHBondContact O-N 3.08Å; F15-V18 PolarHBondContact O-N 3.17Å; V18-N20 PolarHBondContact O-N 2.95Å; V18-R21 PolarHBondContact O-N 3.48Å; V18-V22 HydrophobicContact CG1-CG2 4.3Å; V18-V22 VanDerWaalsContact O-CG2 3.29Å; V18-V22 WeakPolarHBondContact O-CG2 3.16Å; V18-V22 PolarHBondContact O-N 3.37Å
19	M	58.4	Low	66.9	Low	82 Å²	82	93.5 Å²	93.5	40%	0.404	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-44.5	179.1	-68.8	-62.4	-81.2	0	0	111.8	F15 K16 R21 V22 I23	F15-M19 HydrophobicContact CD1-CG 3.82Å; F15-M19 HydrophobicContact CE1-CE 4.42Å; F15-M19 HydrophobicContact CE1-CG 3.46Å; F15-M19 VanDerWaalsContact CE1-CG 3.46Å; F15-M19 HydrophobicContact CE1-SD 4.13Å; F15-M19 HydrophobicContact CE2-CG 4.25Å; F15-M19 HydrophobicContact CE2-SD 4.32Å; F15-M19 HydrophobicContact CG-CG 4.36Å; F15-M19 HydrophobicContact CZ-CE 4.28Å; F15-M19 HydrophobicContact CZ-CG 3.7Å; F15-M19 HydrophobicContact CZ-SD 3.79Å; F15-M19 WeakPolarHBondContact O-CB 3.42Å; F15-M19 VanDerWaalsContact O-CG 3.28Å; F15-M19 WeakPolarHBondContact O-CG 3.34Å; F15-M19 PolarHBondContact O-N 3.42Å; K16-M19 PolarHBondContact O-N 3.41Å; M19-R21 VanDerWaalsContact C-N 3.3Å; M19-R21 PolarHBondContact O-N 2.86Å; M19-V22 PolarHBondContact O-N 3.22Å; M19-I23 WeakPolarHBondContact O-CB 3.24Å; M19-I23 WeakPolarHBondContact O-CD1 3.4Å; M19-I23 WeakPolarHBondContact O-CG1 3.45Å; M19-I23 PolarHBondContact O-N 3.42Å
20	N	53.5	Low	66.1	Low	83 Å²	83	93.7 Å²	93.7	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-59.4	-42.6	175.6	-78.9	-1.3	0	0	0	111.6	K16 M17 V18 I23 L24	K16-N20 WeakPolarHBondContact O-CB 2.83Å; K16-N20 VanDerWaalsContact O-CG 3.27Å; K16-N20 PolarHBondContact O-N 2.04Å; M17-N20 PolarHBondContact O-N 3.4Å; V18-N20 PolarHBondContact O-N 2.95Å; N20-I23 PolarHBondContact O-N 3.44Å; N20-L24 WeakPolarHBondContact O-CB 3.31Å; N20-L24 PolarHBondContact O-N 3.47Å
21	R	55.3	Low	65.4	Low	191 Å²	191	94.3 Å²	94.3	72%	0.721	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-41.1	178.4	-161.6	176.2	-170.7	-166.9	2.1	111.8	M17 V18 M19 L24 V25	M17-R21 WeakPolarHBondContact O-CB 2.82Å; M17-R21 PolarHBondContact O-N 1.96Å; V18-R21 PolarHBondContact O-N 3.48Å; M19-R21 VanDerWaalsContact C-N 3.3Å; M19-R21 PolarHBondContact O-N 2.86Å; R21-L24 PolarHBondContact O-N 3.45Å; R21-V25 HydrophobicContact CG-CG2 4.42Å; R21-V25 WeakPolarHBondContact O-CB 3.05Å; R21-V25 VanDerWaalsContact O-CG2 3.24Å; R21-V25 WeakPolarHBondContact O-CG2 3.39Å; R21-V25 PolarHBondContact O-N 3.29Å
22	V	56	Low	64.9	Low	92 Å²	92	92 Å²	92	56%	0.558	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-41.3	175.3	171.3	0	0	0	0	111	V18 M19 G26	V18-V22 HydrophobicContact CG1-CG2 4.3Å; V18-V22 VanDerWaalsContact O-CG2 3.29Å; V18-V22 WeakPolarHBondContact O-CG2 3.16Å; V18-V22 PolarHBondContact O-N 3.37Å; M19-V22 PolarHBondContact O-N 3.22Å; V22-G26 WeakPolarHBondContact O-CA 3.39Å; V22-G26 PolarHBondContact O-N 2.85Å
23	I	54.2	Low	64.5	Low	113 Å²	113	89.5 Å²	89.5	58%	0.579	47%	0.469	S	S	*	.	H	α-helix	trans	-66.9	-43.3	177	-66.9	164.8	0	0	0	110.9	M19 N20 G27	M19-I23 WeakPolarHBondContact O-CB 3.24Å; M19-I23 WeakPolarHBondContact O-CD1 3.4Å; M19-I23 WeakPolarHBondContact O-CG1 3.45Å; M19-I23 PolarHBondContact O-N 3.42Å; N20-I23 PolarHBondContact O-N 3.44Å; I23-G27 WeakPolarHBondContact O-CA 3.41Å; I23-G27 PolarHBondContact O-N 3.37Å
24	L	54.6	Low	64.2	Low	114 Å²	114	89.2 Å²	89.2	60%	0.597	47%	0.467	S	S	*	.	H	α-helix	trans	-62.8	-54.4	177.4	-109.6	132.7	0	0	0	111.5	N20 R21 G26 G27 D28	N20-L24 WeakPolarHBondContact O-CB 3.31Å; N20-L24 PolarHBondContact O-N 3.47Å; R21-L24 PolarHBondContact O-N 3.45Å; L24-G26 VanDerWaalsContact C-N 3.32Å; L24-G26 PolarHBondContact O-N 2.95Å; L24-G27 PolarHBondContact O-N 3.46Å; L24-G27 VanDerWaalsContact O-N 3.14Å; L24-D28 PolarHBondContact O-N 2.93Å
25	V	58.5	Low	64.1	Low	88 Å²	88	92.5 Å²	92.5	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-39.9	-179	175.5	0	0	0	0	111.1	R21 C29	R21-V25 HydrophobicContact CG-CG2 4.42Å; R21-V25 WeakPolarHBondContact O-CB 3.05Å; R21-V25 VanDerWaalsContact O-CG2 3.24Å; R21-V25 WeakPolarHBondContact O-CG2 3.39Å; R21-V25 PolarHBondContact O-N 3.29Å; V25-C29 PolarHBondContact O-N 3.48Å
26	G	58.6	Low	64.2	Low	25 Å²	25	89.9 Å²	89.9	26%	0.258	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-37.4	174.6	0	0	0	0	0	112.7	V22 L24 K30	V22-G26 WeakPolarHBondContact O-CA 3.39Å; V22-G26 PolarHBondContact O-N 2.85Å; L24-G26 VanDerWaalsContact C-N 3.32Å; L24-G26 PolarHBondContact O-N 2.95Å; G26-K30 WeakPolarHBondContact O-CB 3.32Å; G26-K30 WeakPolarHBondContact O-CG 3.41Å; G26-K30 PolarHBondContact O-N 3.18Å
27	G	61.9	Low	64.4	Low	37 Å²	37	84.9 Å²	84.9	38%	0.381	44%	0.444	S	S	.	.	H	α-helix	trans	-66.5	-48.2	177.3	0	0	0	0	0	112.5	I23 L24 C29 K30 L31	I23-G27 WeakPolarHBondContact O-CA 3.41Å; I23-G27 PolarHBondContact O-N 3.37Å; L24-G27 PolarHBondContact O-N 3.46Å; L24-G27 VanDerWaalsContact O-N 3.14Å; G27-C29 VanDerWaalsContact C-N 3.31Å; G27-C29 PolarHBondContact O-N 3.2Å; G27-K30 PolarHBondContact O-N 2.89Å; G27-L31 WeakPolarHBondContact O-CB 3.38Å; G27-L31 PolarHBondContact O-N 3.07Å
28	D	67.5	Low	64.9	Low	102 Å²	102	84.5 Å²	84.5	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-60.1	-41.7	179.2	-76	-30.1	0	0	0	111.8	L24 L31 D32	L24-D28 PolarHBondContact O-N 2.93Å; D28-L31 WeakPolarHBondContact O-CB 3.45Å; D28-L31 PolarHBondContact O-N 3.01Å; D28-D32 PolarHBondContact O-N 3.38Å
29	C	66.7	Low	65.6	Low	29 Å²	29	86 Å²	86	20%	0.196	45%	0.446	C	S	.	.	H	α-helix	trans	-75.5	-34.4	177.7	155.1	0	0	0	0	113.1	V25 G27 L31 D32 C33 C70	V25-C29 PolarHBondContact O-N 3.48Å; G27-C29 VanDerWaalsContact C-N 3.31Å; G27-C29 PolarHBondContact O-N 3.2Å; C29-L31 PolarHBondContact O-N 3.42Å; C29-D32 PolarHBondContact O-N 2.97Å; C29-D32 VanDerWaalsContact O-N 3.16Å; C29-C33 PolarHBondContact O-N 3.38Å; C29-C70 HydrophobicContact CB-CB 3.33Å; C29-C70 WeakPolarHBondContact CB-SG 3.33Å; C29-C70 VanDerWaalsContact SG-CA 3.56Å; C29-C70 WeakPolarHBondContact SG-CB 3.39Å; C29-C70 CovalentContact SG-SG 2Å; C29-C70 PolarHBondContact SG-SG 2.87Å
30	K	68.7	Low	66.5	Low	111 Å²	111	82.9 Å²	82.9	48%	0.483	43%	0.432	S	S	.	.	H	α-helix	trans	-58.5	-39.1	168.8	-83.5	-172.7	175.6	-170.5	0	111.1	G26 G27 C33 L34	G26-K30 WeakPolarHBondContact O-CB 3.32Å; G26-K30 WeakPolarHBondContact O-CG 3.41Å; G26-K30 PolarHBondContact O-N 3.18Å; G27-K30 PolarHBondContact O-N 2.89Å; K30-C33 PolarHBondContact O-N 2.88Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.18Å
31	L	70.5	Confident	67.6	Low	118 Å²	118	80.9 Å²	80.9	62%	0.618	42%	0.421	S	S	*	.	H	α-helix	trans	-65.3	-42.4	175	-162	75.8	0	0	0	111.7	G27 D28 C29 C33 L34 K35	G27-L31 WeakPolarHBondContact O-CB 3.38Å; G27-L31 PolarHBondContact O-N 3.07Å; D28-L31 WeakPolarHBondContact O-CB 3.45Å; D28-L31 PolarHBondContact O-N 3.01Å; C29-L31 PolarHBondContact O-N 3.42Å; L31-C33 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 2.83Å; L31-L34 PolarHBondContact O-N 3.4Å; L31-K35 WeakPolarHBondContact O-CB 3.48Å; L31-K35 PolarHBondContact O-N 2.92Å
32	D	72.7	Confident	68.8	Low	63 Å²	63	76.1 Å²	76.1	34%	0.337	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.1	-163.9	63.1	0	0	0	111.6	D28 C29 K35 R36	D28-D32 PolarHBondContact O-N 3.38Å; C29-D32 PolarHBondContact O-N 2.97Å; C29-D32 VanDerWaalsContact O-N 3.16Å; D32-K35 WeakPolarHBondContact O-CB 2.98Å; D32-K35 PolarHBondContact O-N 3.16Å; D32-R36 WeakPolarHBondContact O-CG 3.41Å; D32-R36 PolarHBondContact O-N 2.84Å; D32-R36 IonicContact OD2-CZ 3.31Å; D32-R36 VanDerWaalsContact OD2-CZ 3.31Å; D32-R36 IonicContact OD2-NE 2.84Å; D32-R36 PolarHBondContact OD2-NE 3.33Å; D32-R36 IonicContact OD2-NH2 2.96Å; D32-R36 PolarHBondContact OD2-NH2 3.32Å
33	C	74	Confident	69.9	Low	2 Å²	2	80 Å²	80	1%	0.014	42%	0.415	C	S	.	.	H	α-helix	trans	-70.7	-36.4	177.2	-78.8	0	0	0	0	113.6	C29 K30 L31 K35 R36 S37 C65 L66	C29-C33 PolarHBondContact O-N 3.38Å; K30-C33 PolarHBondContact O-N 2.88Å; L31-C33 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 2.83Å; C33-K35 VanDerWaalsContact C-N 3.31Å; C33-K35 PolarHBondContact O-N 3.48Å; C33-R36 PolarHBondContact O-N 2.91Å; C33-S37 PolarHBondContact O-N 3.2Å; C33-C65 HydrophobicContact CB-CB 3.65Å; C33-C65 WeakPolarHBondContact CB-SG 3.4Å; C33-C65 WeakPolarHBondContact SG-CB 3.49Å; C33-C65 CovalentContact SG-SG 1.98Å; C33-C65 PolarHBondContact SG-SG 2.95Å; C33-L66 HydrophobicContact CB-CD2 4.36Å
34	L	70.9	Confident	71.2	Confident	90 Å²	90	74.7 Å²	74.7	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-58.8	-43.7	166.9	-92.9	151.4	0	0	0	111.5	K30 L31 S37 L38	K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.18Å; L31-L34 PolarHBondContact O-N 3.4Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 2.91Å; L34-L38 WeakPolarHBondContact O-CG 3.35Å; L34-L38 PolarHBondContact O-N 3.35Å
35	K	74.8	Confident	72.4	Confident	120 Å²	120	77.9 Å²	77.9	52%	0.522	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-43.8	177.9	-174.6	179.8	178.4	-177.1	0	111.7	L31 D32 C33 S37 L38 M39	L31-K35 WeakPolarHBondContact O-CB 3.48Å; L31-K35 PolarHBondContact O-N 2.92Å; D32-K35 WeakPolarHBondContact O-CB 2.98Å; D32-K35 PolarHBondContact O-N 3.16Å; C33-K35 VanDerWaalsContact C-N 3.31Å; C33-K35 PolarHBondContact O-N 3.48Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 3.38Å; K35-L38 PolarHBondContact O-N 3.41Å; K35-M39 WeakPolarHBondContact O-CG 2.99Å; K35-M39 PolarHBondContact O-N 3.24Å
36	R	74.6	Confident	73.5	Confident	82 Å²	82	83.1 Å²	83.1	31%	0.309	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-37.8	173.9	-69.4	178.2	-166.5	-151.6	3.5	111.6	D32 C33 M39 C40 L62	D32-R36 WeakPolarHBondContact O-CG 3.41Å; D32-R36 PolarHBondContact O-N 2.84Å; D32-R36 IonicContact OD2-CZ 3.31Å; D32-R36 VanDerWaalsContact OD2-CZ 3.31Å; D32-R36 IonicContact OD2-NE 2.84Å; D32-R36 PolarHBondContact OD2-NE 3.33Å; D32-R36 IonicContact OD2-NH2 2.96Å; D32-R36 PolarHBondContact OD2-NH2 3.32Å; C33-R36 PolarHBondContact O-N 2.91Å; R36-M39 PolarHBondContact O-N 3.01Å; R36-C40 WeakPolarHBondContact O-CB 3.41Å; R36-C40 PolarHBondContact O-N 2.87Å; R36-L62 HydrophobicContact CB-CD2 3.66Å
37	S	73	Confident	74.5	Confident	29 Å²	29	85.3 Å²	85.3	20%	0.203	41%	0.411	C	S	.	.	H	α-helix	trans	-59.8	-49.5	173	-163.9	0	0	0	0	112.4	C33 L34 K35 M39 C40 D41	C33-S37 PolarHBondContact O-N 3.2Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 2.91Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 3.38Å; S37-M39 VanDerWaalsContact C-N 3.33Å; S37-M39 PolarHBondContact O-N 3.39Å; S37-C40 PolarHBondContact O-N 3.04Å; S37-C40 VanDerWaalsContact O-N 3.1Å; S37-D41 PolarHBondContact O-N 2.88Å
38	L	74.2	Confident	74.9	Confident	116 Å²	116	88.8 Å²	88.8	61%	0.607	43%	0.427	S	S	*	.	H	α-helix	trans	-62.1	-42.4	178.6	-69.6	169.5	0	0	0	111.9	L34 K35 C40 D41 D42	L34-L38 WeakPolarHBondContact O-CG 3.35Å; L34-L38 PolarHBondContact O-N 3.35Å; K35-L38 PolarHBondContact O-N 3.41Å; L38-C40 PolarHBondContact O-N 3.15Å; L38-D41 PolarHBondContact O-N 3.31Å; L38-D42 PolarHBondContact O-N 3.41Å
39	M	78.4	Confident	75.3	Confident	120 Å²	120	93.3 Å²	93.3	59%	0.591	44%	0.442	S	S	*	.	H	α-helix	trans	-61.7	-35.4	175.3	-75	-177	161.2	0	0	112.3	K35 R36 S37 R43	K35-M39 WeakPolarHBondContact O-CG 2.99Å; K35-M39 PolarHBondContact O-N 3.24Å; R36-M39 PolarHBondContact O-N 3.01Å; S37-M39 VanDerWaalsContact C-N 3.33Å; S37-M39 PolarHBondContact O-N 3.39Å; M39-R43 WeakPolarHBondContact O-CB 3.24Å; M39-R43 PolarHBondContact O-N 1.98Å
40	C	77.5	Confident	75.7	Confident	15 Å²	15	100.2 Å²	100.2	10%	0.101	46%	0.464	C	S	.	.	H	α-helix	trans	-74	-42.6	179.3	-147.5	0	0	0	0	112.9	R36 S37 L38 D42 R43 C44 C58 L62	R36-C40 WeakPolarHBondContact O-CB 3.41Å; R36-C40 PolarHBondContact O-N 2.87Å; S37-C40 PolarHBondContact O-N 3.04Å; S37-C40 VanDerWaalsContact O-N 3.1Å; L38-C40 PolarHBondContact O-N 3.15Å; C40-D42 VanDerWaalsContact C-N 3.26Å; C40-D42 PolarHBondContact O-N 3.28Å; C40-R43 PolarHBondContact O-N 2.84Å; C40-R43 VanDerWaalsContact O-N 3.08Å; C40-C44 WeakPolarHBondContact O-CB 3.43Å; C40-C44 PolarHBondContact O-N 2Å; C40-C44 PolarHBondContact O-SG 3.02Å; C40-C58 HydrophobicContact CB-CB 3.71Å; C40-C58 WeakPolarHBondContact CB-SG 3.16Å; C40-C58 WeakPolarHBondContact SG-CB 3.46Å; C40-C58 CovalentContact SG-SG 1.96Å; C40-C58 PolarHBondContact SG-SG 2.9Å; C40-L62 HydrophobicContact CB-CD1 4.43Å
41	D	76.6	Confident	76	Confident	42 Å²	42	96 Å²	96	23%	0.225	45%	0.452	C	S	.	.	H	α-helix	trans	-53.7	-47.4	172.2	-76.5	17	0	0	0	110.6	S37 L38 R43 C44 K45 Y55	S37-D41 PolarHBondContact O-N 2.88Å; L38-D41 PolarHBondContact O-N 3.31Å; D41-R43 PolarHBondContact O-N 2.96Å; D41-C44 PolarHBondContact O-N 3.14Å; D41-K45 VanDerWaalsContact O-CB 3.24Å; D41-K45 WeakPolarHBondContact O-CB 3.19Å; D41-K45 PolarHBondContact O-N 2.77Å; D41-Y55 HydrophobicContact CB-CE2 3.9Å; D41-Y55 VanDerWaalsContact CG-CZ 3.47Å; D41-Y55 WeakPolarHBondContact OD1-CE2 3.32Å; D41-Y55 PolarHBondContact OD1-OH 2.88Å; D41-Y55 WeakPolarHBondContact OD2-CE2 2.81Å; D41-Y55 PolarHBondContact OD2-OH 2.89Å
42	D	80.2	Confident	76.5	Confident	90 Å²	90	98.2 Å²	98.2	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-42	176.1	-101	12	0	0	0	112.6	L38 C40 R46	L38-D42 PolarHBondContact O-N 3.41Å; C40-D42 VanDerWaalsContact C-N 3.26Å; C40-D42 PolarHBondContact O-N 3.28Å; D42-R46 VanDerWaalsContact O-CG 3.31Å; D42-R46 WeakPolarHBondContact O-CG 3.43Å; D42-R46 PolarHBondContact O-N 3.35Å
43	R	80.4	Confident	77	Confident	173 Å²	173	99.9 Å²	99.9	65%	0.653	47%	0.467	S	S	*	.	H	α-helix	trans	-66.7	-44.4	178.1	-174.3	-179	178.9	-170.3	-1.1	111.6	M39 C40 D41 R46 M47	M39-R43 WeakPolarHBondContact O-CB 3.24Å; M39-R43 PolarHBondContact O-N 1.98Å; C40-R43 PolarHBondContact O-N 2.84Å; C40-R43 VanDerWaalsContact O-N 3.08Å; D41-R43 PolarHBondContact O-N 2.96Å; R43-R46 PolarHBondContact O-N 2.96Å; R43-M47 HydrophobicContact CG-CE 3.97Å
44	C	80.9	Confident	77.2	Confident	2 Å²	2	100.6 Å²	100.6	1%	0.014	47%	0.472	C	S	.	.	H	α-helix	trans	-70	-37.1	-179.2	-61.2	0	0	0	0	111.6	C40 D41 R46 M47 G51 C54 Y55	C40-C44 WeakPolarHBondContact O-CB 3.43Å; C40-C44 PolarHBondContact O-N 2Å; C40-C44 PolarHBondContact O-SG 3.02Å; D41-C44 PolarHBondContact O-N 3.14Å; C44-R46 PolarHBondContact O-N 3.27Å; C44-M47 PolarHBondContact O-N 3.35Å; C44-G51 WeakPolarHBondContact O-CA 3.15Å; C44-C54 WeakPolarHBondContact CA-SG 3.46Å; C44-C54 HydrophobicContact CB-CB 3.62Å; C44-C54 WeakPolarHBondContact CB-SG 2.78Å; C44-C54 WeakPolarHBondContact SG-CB 3.49Å; C44-C54 PolarHBondContact SG-O 3.34Å; C44-C54 VanDerWaalsContact SG-O 3.4Å; C44-C54 CovalentContact SG-SG 2.04Å; C44-C54 PolarHBondContact SG-SG 3.19Å; C44-Y55 HydrophobicContact CB-CD2 4.47Å; C44-Y55 PolarHBondContact SG-N 2.99Å; C44-Y55 VanDerWaalsContact SG-N 3.42Å
45	K	80	Confident	77.6	Confident	181 Å²	181	100.6 Å²	100.6	79%	0.787	47%	0.466	S	S	*	.	H	α-helix	trans	-61.7	-28.7	174.5	-168.7	175.8	-177.2	179.6	0	112.8	D41 M47	D41-K45 VanDerWaalsContact O-CB 3.24Å; D41-K45 WeakPolarHBondContact O-CB 3.19Å; D41-K45 PolarHBondContact O-N 2.77Å; K45-M47 VanDerWaalsContact C-N 3.27Å; K45-M47 PolarHBondContact O-N 3.43Å
46	R	82.4	Confident	77.8	Confident	199 Å²	199	100.7 Å²	100.7	75%	0.751	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.3	174.4	-66.9	173.1	-165.4	-167.4	5.5	113.7	D42 R43 C44 P48	D42-R46 VanDerWaalsContact O-CG 3.31Å; D42-R46 WeakPolarHBondContact O-CG 3.43Å; D42-R46 PolarHBondContact O-N 3.35Å; R43-R46 PolarHBondContact O-N 2.96Å; C44-R46 PolarHBondContact O-N 3.27Å; R46-P48 VanDerWaalsContact O-CD 3.24Å; R46-P48 WeakPolarHBondContact O-CD 3.44Å
47	M	79.3	Confident	78	Confident	70 Å²	70	103.1 Å²	103.1	35%	0.345	49%	0.487	S	S	.	.			trans	-105.3	91.4	176.9	-83.9	-173.9	-92.2	0	0	111	R43 C44 K45 F49 R50 G51	R43-M47 HydrophobicContact CG-CE 3.97Å; C44-M47 PolarHBondContact O-N 3.35Å; K45-M47 VanDerWaalsContact C-N 3.27Å; K45-M47 PolarHBondContact O-N 3.43Å; M47-F49 VanDerWaalsContact C-N 3.28Å; M47-F49 PolarHBondContact O-N 3.02Å; M47-R50 PolarHBondContact O-N 3.2Å; M47-G51 WeakPolarHBondContact O-CA 3.38Å; M47-G51 PolarHBondContact O-N 2.82Å
48	P	70.1	Confident	78.1	Confident	110 Å²	110	103 Å²	103	71%	0.714	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.8	-172.3	21.7	-32	0	0	0	114.1	R46	R46-P48 VanDerWaalsContact O-CD 3.24Å; R46-P48 WeakPolarHBondContact O-CD 3.44Å
49	F	75.1	Confident	78.1	Confident	198 Å²	198	105.3 Å²	105.3	87%	0.868	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.5	-175	-60.2	-74.3	0	0	0	114.5	M47	M47-F49 VanDerWaalsContact C-N 3.28Å; M47-F49 PolarHBondContact O-N 3.02Å
50	R	76.1	Confident	78	Confident	174 Å²	174	103.2 Å²	103.2	66%	0.657	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.3	16.6	-175.4	-68.6	-169.7	176.9	-165.9	-0.7	113.2	M47 E52 I53 C54	M47-R50 PolarHBondContact O-N 3.2Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 2.87Å; R50-I53 PolarHBondContact O-N 3.33Å; R50-C54 WeakPolarHBondContact O-CB 3.49Å; R50-C54 PolarHBondContact O-N 3.34Å
51	G	75.3	Confident	77.7	Confident	22 Å²	22	105.3 Å²	105.3	23%	0.227	50%	0.496	C	S	.	.	H	α-helix	trans	-52.9	-49.6	-175.6	0	0	0	0	0	112.1	C44 M47 C54 Y55	C44-G51 WeakPolarHBondContact O-CA 3.15Å; M47-G51 WeakPolarHBondContact O-CA 3.38Å; M47-G51 PolarHBondContact O-N 2.82Å; G51-C54 PolarHBondContact O-N 3.39Å; G51-Y55 VanDerWaalsContact O-CB 3.25Å; G51-Y55 WeakPolarHBondContact O-CB 3.41Å; G51-Y55 PolarHBondContact O-N 3.49Å
52	E	79.2	Confident	77.4	Confident	164 Å²	164	103.8 Å²	103.8	77%	0.766	49%	0.488	S	S	*	.	H	α-helix	trans	-64.9	-46.5	-179.7	-67.1	-173.2	161.7	0	0	113.3	R50 C54 Y55 L56	R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 2.87Å; E52-C54 PolarHBondContact O-N 3.15Å; E52-Y55 PolarHBondContact O-N 3.39Å; E52-L56 WeakPolarHBondContact O-CB 3.26Å; E52-L56 WeakPolarHBondContact O-CG 3.38Å; E52-L56 PolarHBondContact O-N 3.25Å
53	I	84.7	Confident	76.9	Confident	98 Å²	98	102.2 Å²	102.2	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-62.4	-46.3	179	-63.1	172.2	0	0	0	109.9	R50 Y55 L56 E57	R50-I53 PolarHBondContact O-N 3.33Å; I53-Y55 VanDerWaalsContact C-N 3.31Å; I53-Y55 PolarHBondContact O-N 3.39Å; I53-L56 PolarHBondContact O-N 2.92Å; I53-E57 WeakPolarHBondContact O-CG 3.16Å; I53-E57 PolarHBondContact O-N 3.43Å
54	C	78.4	Confident	76.4	Confident	18 Å²	18	97 Å²	97	12%	0.122	47%	0.467	C	S	.	.	H	α-helix	trans	-58.7	-45	175.6	178.5	0	0	0	0	111.1	C44 R50 G51 E52 L56 E57 C58	C44-C54 WeakPolarHBondContact CA-SG 3.46Å; C44-C54 HydrophobicContact CB-CB 3.62Å; C44-C54 WeakPolarHBondContact CB-SG 2.78Å; C44-C54 WeakPolarHBondContact SG-CB 3.49Å; C44-C54 PolarHBondContact SG-O 3.34Å; C44-C54 VanDerWaalsContact SG-O 3.4Å; C44-C54 CovalentContact SG-SG 2.04Å; C44-C54 PolarHBondContact SG-SG 3.19Å; R50-C54 WeakPolarHBondContact O-CB 3.49Å; R50-C54 PolarHBondContact O-N 3.34Å; G51-C54 PolarHBondContact O-N 3.39Å; E52-C54 PolarHBondContact O-N 3.15Å; C54-L56 PolarHBondContact O-N 3.33Å; C54-E57 PolarHBondContact O-N 3.44Å; C54-C58 VanDerWaalsContact O-CB 3.31Å; C54-C58 WeakPolarHBondContact O-CB 3.29Å; C54-C58 PolarHBondContact O-N 2.8Å
55	Y	78	Confident	75.8	Confident	89 Å²	89	96.9 Å²	96.9	35%	0.349	47%	0.466	S	S	.	.	H	α-helix	trans	-62.5	-43.6	179.9	-155.2	-84.3	0	0	0	111.1	D41 C44 G51 E52 I53 C58 R59	D41-Y55 HydrophobicContact CB-CE2 3.9Å; D41-Y55 VanDerWaalsContact CG-CZ 3.47Å; D41-Y55 WeakPolarHBondContact OD1-CE2 3.32Å; D41-Y55 PolarHBondContact OD1-OH 2.88Å; D41-Y55 WeakPolarHBondContact OD2-CE2 2.81Å; D41-Y55 PolarHBondContact OD2-OH 2.89Å; C44-Y55 HydrophobicContact CB-CD2 4.47Å; C44-Y55 PolarHBondContact SG-N 2.99Å; C44-Y55 VanDerWaalsContact SG-N 3.42Å; G51-Y55 VanDerWaalsContact O-CB 3.25Å; G51-Y55 WeakPolarHBondContact O-CB 3.41Å; G51-Y55 PolarHBondContact O-N 3.49Å; E52-Y55 PolarHBondContact O-N 3.39Å; I53-Y55 VanDerWaalsContact C-N 3.31Å; I53-Y55 PolarHBondContact O-N 3.39Å; Y55-C58 PolarHBondContact O-N 2.78Å; Y55-R59 WeakPolarHBondContact O-CB 3.49Å; Y55-R59 PolarHBondContact O-N 3.47Å
56	L	78.9	Confident	75.1	Confident	122 Å²	122	91.6 Å²	91.6	64%	0.639	45%	0.446	S	S	*	.	H	α-helix	trans	-63.6	-49.1	177.2	-74	170.5	0	0	0	112.3	E52 I53 C54 C58 R59 S60	E52-L56 WeakPolarHBondContact O-CB 3.26Å; E52-L56 WeakPolarHBondContact O-CG 3.38Å; E52-L56 PolarHBondContact O-N 3.25Å; I53-L56 PolarHBondContact O-N 2.92Å; C54-L56 PolarHBondContact O-N 3.33Å; L56-C58 VanDerWaalsContact C-N 3.26Å; L56-C58 PolarHBondContact O-N 3.13Å; L56-R59 PolarHBondContact O-N 3.49Å; L56-S60 VanDerWaalsContact O-CB 3.24Å; L56-S60 WeakPolarHBondContact O-CB 3.24Å; L56-S60 PolarHBondContact O-N 3.43Å
57	E	78.4	Confident	74.4	Confident	134 Å²	134	88 Å²	88	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-58.8	-42.5	177.8	-75.5	-178.8	170.8	0	0	111.3	I53 C54 T61	I53-E57 WeakPolarHBondContact O-CG 3.16Å; I53-E57 PolarHBondContact O-N 3.43Å; C54-E57 PolarHBondContact O-N 3.44Å; E57-T61 PolarHBondContact O-N 2.85Å; E57-T61 PolarHBondContact O-OG1 3.27Å
58	C	77	Confident	73.6	Confident	27 Å²	27	87.7 Å²	87.7	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-73.1	-45.1	-177.9	-139.3	0	0	0	0	113.1	C40 C54 Y55 L56 S60 T61 L62	C40-C58 HydrophobicContact CB-CB 3.71Å; C40-C58 WeakPolarHBondContact CB-SG 3.16Å; C40-C58 WeakPolarHBondContact SG-CB 3.46Å; C40-C58 CovalentContact SG-SG 1.96Å; C40-C58 PolarHBondContact SG-SG 2.9Å; C54-C58 VanDerWaalsContact O-CB 3.31Å; C54-C58 WeakPolarHBondContact O-CB 3.29Å; C54-C58 PolarHBondContact O-N 2.8Å; Y55-C58 PolarHBondContact O-N 2.78Å; L56-C58 VanDerWaalsContact C-N 3.26Å; L56-C58 PolarHBondContact O-N 3.13Å; C58-S60 VanDerWaalsContact C-N 3.26Å; C58-S60 PolarHBondContact O-N 2.9Å; C58-T61 PolarHBondContact O-N 2.92Å; C58-L62 WeakPolarHBondContact O-CB 3.37Å; C58-L62 WeakPolarHBondContact O-CD1 3.38Å; C58-L62 VanDerWaalsContact O-CG 3.32Å; C58-L62 WeakPolarHBondContact O-CG 3.37Å; C58-L62 PolarHBondContact O-N 2.87Å
59	R	73.9	Confident	73.2	Confident	163 Å²	163	87 Å²	87	62%	0.615	43%	0.434	S	S	*	.	H	α-helix	trans	-62.6	-36.4	177.5	-158.4	-175	-162.4	-170.3	4.7	111.4	Y55 L56 L62 S63	Y55-R59 WeakPolarHBondContact O-CB 3.49Å; Y55-R59 PolarHBondContact O-N 3.47Å; L56-R59 PolarHBondContact O-N 3.49Å; R59-L62 PolarHBondContact O-N 3.12Å; R59-S63 WeakPolarHBondContact O-CB 3.37Å; R59-S63 PolarHBondContact O-N 3.41Å
60	S	76.2	Confident	72.6	Confident	77 Å²	77	78.3 Å²	78.3	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-59.6	-50.3	173.6	-176.2	0	0	0	0	111.4	L56 C58 L62 S63	L56-S60 VanDerWaalsContact O-CB 3.24Å; L56-S60 WeakPolarHBondContact O-CB 3.24Å; L56-S60 PolarHBondContact O-N 3.43Å; C58-S60 VanDerWaalsContact C-N 3.26Å; C58-S60 PolarHBondContact O-N 2.9Å; S60-L62 VanDerWaalsContact C-N 3.28Å; S60-L62 PolarHBondContact O-N 2.92Å; S60-S63 PolarHBondContact O-N 3.31Å
61	T	70.8	Confident	71.7	Confident	58 Å²	58	73.9 Å²	73.9	36%	0.356	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-37	179.3	-54.1	0	0	0	0	112.2	E57 C58 F73	E57-T61 PolarHBondContact O-N 2.85Å; E57-T61 PolarHBondContact O-OG1 3.27Å; C58-T61 PolarHBondContact O-N 2.92Å; T61-F73 WeakPolarHBondContact O-CE2 3.29Å
62	L	70	Confident	71.1	Confident	11 Å²	11	78.5 Å²	78.5	6%	0.058	41%	0.412	C	S	.	.	H	α-helix	trans	-84.8	-25.7	-176.5	-68.9	162.3	0	0	0	113.7	R36 C40 C58 R59 S60 E64 C65 L66	R36-L62 HydrophobicContact CB-CD2 3.66Å; C40-L62 HydrophobicContact CB-CD1 4.43Å; C58-L62 WeakPolarHBondContact O-CB 3.37Å; C58-L62 WeakPolarHBondContact O-CD1 3.38Å; C58-L62 VanDerWaalsContact O-CG 3.32Å; C58-L62 WeakPolarHBondContact O-CG 3.37Å; C58-L62 PolarHBondContact O-N 2.87Å; R59-L62 PolarHBondContact O-N 3.12Å; S60-L62 VanDerWaalsContact C-N 3.28Å; S60-L62 PolarHBondContact O-N 2.92Å; L62-E64 PolarHBondContact O-N 3.48Å; L62-C65 WeakPolarHBondContact O-CB 3.4Å; L62-C65 PolarHBondContact O-N 2.89Å; L62-L66 PolarHBondContact O-N 2.98Å; L62-L66 VanDerWaalsContact O-N 3.07Å
63	S	70.5	Confident	70.3	Confident	56 Å²	56	71.1 Å²	71.1	39%	0.392	38%	0.378	S	S	.	.	H	α-helix	trans	-55.8	-46	170.1	-166.8	0	0	0	0	109.6	R59 S60 C65 L66 D67	R59-S63 WeakPolarHBondContact O-CB 3.37Å; R59-S63 PolarHBondContact O-N 3.41Å; S60-S63 PolarHBondContact O-N 3.31Å; S63-C65 PolarHBondContact O-N 2.93Å; S63-C65 VanDerWaalsContact O-N 3.15Å; S63-L66 PolarHBondContact O-N 3.49Å; S63-D67 WeakPolarHBondContact O-CB 3.34Å; S63-D67 VanDerWaalsContact O-CG 3.3Å; S63-D67 PolarHBondContact O-N 2.87Å; S63-D67 PolarHBondContact OG-OD2 3.27Å
64	E	68.3	Low	69	Low	64 Å²	64	68.4 Å²	68.4	30%	0.299	37%	0.37	S	S	.	.	H	α-helix	trans	-57.9	-32.8	176.4	-70.5	-168.6	-156.9	0	0	112.6	L62 K68 F73 R80	L62-E64 PolarHBondContact O-N 3.48Å; E64-K68 HydrophobicContact CB-CD 4.45Å; E64-K68 WeakPolarHBondContact O-CB 3.28Å; E64-K68 VanDerWaalsContact O-CG 3.24Å; E64-K68 WeakPolarHBondContact O-CG 3.43Å; E64-K68 PolarHBondContact O-N 3.06Å; E64-K68 IonicContact OE2-NZ 2.88Å; E64-K68 PolarHBondContact OE2-NZ 3.49Å; E64-F73 HydrophobicContact CB-CD2 4.24Å; E64-F73 HydrophobicContact CB-CE2 4.25Å; E64-R80 IonicContact OE2-NH2 3.31Å; E64-R80 PolarHBondContact OE2-NH2 3.32Å
65	C	68.2	Low	68.3	Low	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-72.6	-39.2	176.5	-172.2	0	0	0	0	113.1	C33 L62 S63 D67 F73	C33-C65 HydrophobicContact CB-CB 3.65Å; C33-C65 WeakPolarHBondContact CB-SG 3.4Å; C33-C65 WeakPolarHBondContact SG-CB 3.49Å; C33-C65 CovalentContact SG-SG 1.98Å; C33-C65 PolarHBondContact SG-SG 2.95Å; L62-C65 WeakPolarHBondContact O-CB 3.4Å; L62-C65 PolarHBondContact O-N 2.89Å; S63-C65 PolarHBondContact O-N 2.93Å; S63-C65 VanDerWaalsContact O-N 3.15Å; C65-D67 VanDerWaalsContact C-N 3.34Å; C65-F73 VanDerWaalsContact CA-CD2 3.41Å; C65-F73 HydrophobicContact CB-CD1 3.75Å; C65-F73 HydrophobicContact CB-CD2 3.6Å; C65-F73 HydrophobicContact CB-CE1 3.74Å; C65-F73 HydrophobicContact CB-CE2 3.59Å; C65-F73 HydrophobicContact CB-CG 3.68Å; C65-F73 HydrophobicContact CB-CZ 3.67Å; C65-F73 WeakPolarHBondContact SG-CD1 3.4Å
66	L	65.2	Low	67.7	Low	70 Å²	70	72.5 Å²	72.5	37%	0.366	39%	0.392	S	S	.	.	H	α-helix	trans	-74.5	-28.8	-180	-66.2	175	0	0	0	112.2	C33 L62 S63	C33-L66 HydrophobicContact CB-CD2 4.36Å; L62-L66 PolarHBondContact O-N 2.98Å; L62-L66 VanDerWaalsContact O-N 3.07Å; S63-L66 PolarHBondContact O-N 3.49Å
67	D	67.6	Low	66.6	Low	123 Å²	123	70.1 Å²	70.1	66%	0.658	38%	0.375	S	S	*	.	H	α-helix	trans	-87.3	-31.4	-178.7	-68.4	-40.4	0	0	0	113.3	S63 C65	S63-D67 WeakPolarHBondContact O-CB 3.34Å; S63-D67 VanDerWaalsContact O-CG 3.3Å; S63-D67 PolarHBondContact O-N 2.87Å; S63-D67 PolarHBondContact OG-OD2 3.27Å; C65-D67 VanDerWaalsContact C-N 3.34Å
68	K	64	Low	65.5	Low	63 Å²	63	70.5 Å²	70.5	27%	0.274	37%	0.372	S	S	.	.	S	Bend	trans	-90.5	151	-179.6	-67.3	173.9	179.4	173.1	0	111.9	E64 C70 D76	E64-K68 HydrophobicContact CB-CD 4.45Å; E64-K68 WeakPolarHBondContact O-CB 3.28Å; E64-K68 VanDerWaalsContact O-CG 3.24Å; E64-K68 WeakPolarHBondContact O-CG 3.43Å; E64-K68 PolarHBondContact O-N 3.06Å; E64-K68 IonicContact OE2-NZ 2.88Å; E64-K68 PolarHBondContact OE2-NZ 3.49Å; K68-C70 PolarHBondContact O-N 3.43Å; K68-D76 IonicContact NZ-OD2 2.8Å; K68-D76 PolarHBondContact NZ-OD2 3.29Å
69	P	61	Low	64.8	Low	96 Å²	96	71.8 Å²	71.8	62%	0.623	39%	0.39	S	S	*	.			trans	-58.2	125.5	163.6	-3.4	11.9	0	0	0	108.8	A71 K72 F73	P69-A71 PolarHBondContact O-N 3.46Å; P69-K72 WeakPolarHBondContact O-CA 3.37Å; P69-K72 WeakPolarHBondContact O-CB 3.43Å; P69-K72 PolarHBondContact O-N 2.89Å; P69-F73 PolarHBondContact O-N 2.96Å
70	C	61.8	Low	64	Low	15 Å²	15	71.3 Å²	71.3	10%	0.101	39%	0.388	C	S	.	.	H	α-helix	trans	-46.3	-37.5	-172.8	-86.2	0	0	0	0	116.8	C29 K68 K72 F73 A74	C29-C70 HydrophobicContact CB-CB 3.33Å; C29-C70 WeakPolarHBondContact CB-SG 3.33Å; C29-C70 VanDerWaalsContact SG-CA 3.56Å; C29-C70 WeakPolarHBondContact SG-CB 3.39Å; C29-C70 CovalentContact SG-SG 2Å; C29-C70 PolarHBondContact SG-SG 2.87Å; K68-C70 PolarHBondContact O-N 3.43Å; C70-K72 VanDerWaalsContact C-N 3.26Å; C70-K72 PolarHBondContact O-N 2.76Å; C70-F73 PolarHBondContact O-N 3.34Å; C70-A74 PolarHBondContact O-N 2.94Å
71	A	58.1	Low	62.7	Low	82 Å²	82	75.5 Å²	75.5	68%	0.678	39%	0.393	S	S	*	.	H	α-helix	trans	-57.3	-41.6	175.6	0	0	0	0	0	111.9	P69 E75	P69-A71 PolarHBondContact O-N 3.46Å; A71-E75 WeakPolarHBondContact O-CB 3.4Å; A71-E75 PolarHBondContact O-N 3.36Å; A71-E75 VanDerWaalsContact O-N 3.12Å
72	K	63.4	Low	61.8	Low	118 Å²	118	80 Å²	80	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-73.6	-36.7	179.6	-168.3	166.1	-174.7	170.9	0	112.1	P69 C70 E75 D76	P69-K72 WeakPolarHBondContact O-CA 3.37Å; P69-K72 WeakPolarHBondContact O-CB 3.43Å; P69-K72 PolarHBondContact O-N 2.89Å; C70-K72 VanDerWaalsContact C-N 3.26Å; C70-K72 PolarHBondContact O-N 2.76Å; K72-E75 PolarHBondContact O-N 3.35Å; K72-D76 WeakPolarHBondContact O-CB 3.19Å; K72-D76 VanDerWaalsContact O-CG 3.25Å; K72-D76 PolarHBondContact O-N 2.99Å
73	F	61.1	Low	61.4	Low	10 Å²	10	83.5 Å²	83.5	4%	0.044	45%	0.446	C	S	.	.	H	α-helix	trans	-64.4	-43.9	174.2	179.3	-96.8	0	0	0	111.7	T61 E64 C65 P69 C70 E75 D76 Y77	T61-F73 WeakPolarHBondContact O-CE2 3.29Å; E64-F73 HydrophobicContact CB-CD2 4.24Å; E64-F73 HydrophobicContact CB-CE2 4.25Å; C65-F73 VanDerWaalsContact CA-CD2 3.41Å; C65-F73 HydrophobicContact CB-CD1 3.75Å; C65-F73 HydrophobicContact CB-CD2 3.6Å; C65-F73 HydrophobicContact CB-CE1 3.74Å; C65-F73 HydrophobicContact CB-CE2 3.59Å; C65-F73 HydrophobicContact CB-CG 3.68Å; C65-F73 HydrophobicContact CB-CZ 3.67Å; C65-F73 WeakPolarHBondContact SG-CD1 3.4Å; P69-F73 PolarHBondContact O-N 2.96Å; C70-F73 PolarHBondContact O-N 3.34Å; F73-E75 PolarHBondContact O-N 2.94Å; F73-D76 PolarHBondContact O-N 3.32Å; F73-Y77 HydrophobicContact CE1-CD2 4.42Å; F73-Y77 HydrophobicContact CZ-CD2 4.13Å; F73-Y77 VanDerWaalsContact O-CB 3.26Å; F73-Y77 WeakPolarHBondContact O-CB 3.48Å; F73-Y77 PolarHBondContact O-N 2.94Å
74	A	58.4	Low	60.9	Low	40 Å²	40	84.9 Å²	84.9	33%	0.331	45%	0.448	S	S	.	.	H	α-helix	trans	-60.4	-46.5	177.1	0	0	0	0	0	111.1	C70 Y77 Y78	C70-A74 PolarHBondContact O-N 2.94Å; A74-Y77 PolarHBondContact O-N 3.37Å; A74-Y78 HydrophobicContact CB-CD2 4.47Å; A74-Y78 WeakPolarHBondContact O-CD2 3.36Å; A74-Y78 PolarHBondContact O-N 3.46Å
75	E	63.7	Low	60.5	Low	144 Å²	144	86.1 Å²	86.1	67%	0.673	46%	0.457	S	S	*	.	H	α-helix	trans	-58.2	-50.7	175.3	-169.7	178.6	179	0	0	112.1	A71 K72 F73 Y77 G79	A71-E75 WeakPolarHBondContact O-CB 3.4Å; A71-E75 PolarHBondContact O-N 3.36Å; A71-E75 VanDerWaalsContact O-N 3.12Å; K72-E75 PolarHBondContact O-N 3.35Å; F73-E75 PolarHBondContact O-N 2.94Å; E75-Y77 VanDerWaalsContact C-N 3.29Å; E75-Y77 PolarHBondContact O-N 2.99Å; E75-G79 PolarHBondContact O-N 3.04Å
76	D	64.1	Low	60	Low	50 Å²	50	91.1 Å²	91.1	27%	0.267	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-34.3	178.4	-74.3	-10.7	0	0	0	112.7	K68 K72 F73 R80	K68-D76 IonicContact NZ-OD2 2.8Å; K68-D76 PolarHBondContact NZ-OD2 3.29Å; K72-D76 WeakPolarHBondContact O-CB 3.19Å; K72-D76 VanDerWaalsContact O-CG 3.25Å; K72-D76 PolarHBondContact O-N 2.99Å; F73-D76 PolarHBondContact O-N 3.32Å; D76-R80 PolarHBondContact O-N 3.46Å; D76-R80 PolarHBondContact O-NE 3.48Å
77	Y	55.9	Low	59.7	Low	71 Å²	71	92.4 Å²	92.4	28%	0.278	49%	0.491	S	S	.	.	H	α-helix	trans	-73.8	-57	179.4	-174.6	-89	0	0	0	110.2	F73 A74 E75 G79 R80 Y81	F73-Y77 HydrophobicContact CE1-CD2 4.42Å; F73-Y77 HydrophobicContact CZ-CD2 4.13Å; F73-Y77 VanDerWaalsContact O-CB 3.26Å; F73-Y77 WeakPolarHBondContact O-CB 3.48Å; F73-Y77 PolarHBondContact O-N 2.94Å; A74-Y77 PolarHBondContact O-N 3.37Å; E75-Y77 VanDerWaalsContact C-N 3.29Å; E75-Y77 PolarHBondContact O-N 2.99Å; Y77-G79 VanDerWaalsContact C-N 3.29Å; Y77-G79 PolarHBondContact O-N 2.98Å; Y77-R80 PolarHBondContact O-N 3.07Å; Y77-R80 VanDerWaalsContact O-N 3.15Å; Y77-Y81 HydrophobicContact CD1-CD2 4.08Å; Y77-Y81 HydrophobicContact CD1-CE2 4.39Å; Y77-Y81 HydrophobicContact CD2-CD2 4.28Å; Y77-Y81 AromaticContact CD2-CE2 3.8Å; Y77-Y81 HydrophobicContact CD2-CE2 3.8Å; Y77-Y81 AromaticContact CE1-CD2 3.87Å; Y77-Y81 HydrophobicContact CE1-CD2 3.87Å; Y77-Y81 HydrophobicContact CE1-CE2 4.1Å; Y77-Y81 HydrophobicContact CE2-CD2 4.1Å; Y77-Y81 AromaticContact CE2-CE2 3.48Å; Y77-Y81 HydrophobicContact CE2-CE2 3.48Å; Y77-Y81 VanDerWaalsContact CE2-CE2 3.48Å; Y77-Y81 HydrophobicContact CG-CD2 4.26Å; Y77-Y81 HydrophobicContact CG-CE2 4.24Å; Y77-Y81 AromaticContact CZ-CD2 3.88Å; Y77-Y81 AromaticContact CZ-CE2 3.62Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.27Å; Y77-Y81 PolarHBondContact O-N 3.35Å
78	Y	56.1	Low	59.1	Low	142 Å²	142	90.4 Å²	90.4	56%	0.557	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-32.7	-178.5	-73.3	-70.5	0	0	0	112.5	A74 R80 Y81 S82	A74-Y78 HydrophobicContact CB-CD2 4.47Å; A74-Y78 WeakPolarHBondContact O-CD2 3.36Å; A74-Y78 PolarHBondContact O-N 3.46Å; Y78-R80 VanDerWaalsContact C-N 3.3Å; Y78-R80 PolarHBondContact O-N 3.09Å; Y78-Y81 PolarHBondContact O-N 3.17Å; Y78-S82 PolarHBondContact O-N 3.22Å; Y78-S82 VanDerWaalsContact O-N 3.13Å; Y78-S82 PolarHBondContact O-OG 3.42Å
79	G	62.2	Low	58.8	Low	55 Å²	55	92.4 Å²	92.4	57%	0.567	50%	0.495	S	S	*	.	H	α-helix	trans	-68.4	-24.2	175.3	0	0	0	0	0	114.4	E75 Y77	E75-G79 PolarHBondContact O-N 3.04Å; Y77-G79 VanDerWaalsContact C-N 3.29Å; Y77-G79 PolarHBondContact O-N 2.98Å
80	R	58	Low	58.6	Low	152 Å²	152	92.1 Å²	92.1	57%	0.574	49%	0.485	S	S	*	.	H	α-helix	trans	-82.6	-21.3	175.1	-88.4	-172.2	-86.6	-173.6	-10.7	113.9	E64 D76 Y77 Y78	E64-R80 IonicContact OE2-NH2 3.31Å; E64-R80 PolarHBondContact OE2-NH2 3.32Å; D76-R80 PolarHBondContact O-N 3.46Å; D76-R80 PolarHBondContact O-NE 3.48Å; Y77-R80 PolarHBondContact O-N 3.07Å; Y77-R80 VanDerWaalsContact O-N 3.15Å; Y78-R80 VanDerWaalsContact C-N 3.3Å; Y78-R80 PolarHBondContact O-N 3.09Å
81	Y	49.3	Very low	58.4	Low	165 Å²	165	98.5 Å²	98.5	65%	0.647	52%	0.517	S	S	*	.	H	α-helix	trans	-112	5	-175.8	-65.1	-73.2	0	0	0	113.9	Y77 Y78	Y77-Y81 HydrophobicContact CD1-CD2 4.08Å; Y77-Y81 HydrophobicContact CD1-CE2 4.39Å; Y77-Y81 HydrophobicContact CD2-CD2 4.28Å; Y77-Y81 AromaticContact CD2-CE2 3.8Å; Y77-Y81 HydrophobicContact CD2-CE2 3.8Å; Y77-Y81 AromaticContact CE1-CD2 3.87Å; Y77-Y81 HydrophobicContact CE1-CD2 3.87Å; Y77-Y81 HydrophobicContact CE1-CE2 4.1Å; Y77-Y81 HydrophobicContact CE2-CD2 4.1Å; Y77-Y81 AromaticContact CE2-CE2 3.48Å; Y77-Y81 HydrophobicContact CE2-CE2 3.48Å; Y77-Y81 VanDerWaalsContact CE2-CE2 3.48Å; Y77-Y81 HydrophobicContact CG-CD2 4.26Å; Y77-Y81 HydrophobicContact CG-CE2 4.24Å; Y77-Y81 AromaticContact CZ-CD2 3.88Å; Y77-Y81 AromaticContact CZ-CE2 3.62Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.27Å; Y77-Y81 PolarHBondContact O-N 3.35Å; Y78-Y81 PolarHBondContact O-N 3.17Å
82	S	50.2	Low	58.4	Low	153 Å²	153	100 Å²	100	100%	1.07	50%	0.502	S	S	*	.			trans	-98.7	0	169.7	-54	0	0	0	0	110	Y78	Y78-S82 PolarHBondContact O-N 3.22Å; Y78-S82 VanDerWaalsContact O-N 3.13Å; Y78-S82 PolarHBondContact O-OG 3.42Å

Retrieved 82 of 82 residues in 38.6 ms (Link to these results)

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