A0A3Q0KUG1_SCHMA Loading...

Beta-1,3-n-acetylglucosaminyltransferase,putati ve

AlphaFold DB , UniProt , Accession A0A3Q0KUG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

						>A0A3Q0KUG1_SCHMA|A0A3Q0KUG1
MHDIKLKVELSLMFPCNFAEITNQIDRDNVKFNSAVQRLEETLYKQIADVERRLQQKISELQNEIQVSIQQCQDEKRSLESRLLDSIHTIAANLENRIVSIN
					

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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	68	Low	81.2	Confident	203 Å²	203	117.5 Å²	117.5	100%	1	59%	0.591	S	S	*	*				0	-46.8	0	-137.4	-174.6	-53	0	0	111.6	D3 I4 K5	M1-D3 PolarHBondContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 3.03Å; M1-K5 PolarHBondContact O-N 3.33Å
2	H	77.7	Confident	81	Confident	149 Å²	149	117.3 Å²	117.3	69%	0.69	59%	0.592	S	S	*	*	H	α-helix	trans	-58.1	-44.9	176.8	-160.2	72.2	0	0	0	113.4	I4 K5 L6	H2-I4 VanDerWaalsContact C-N 3.31Å; H2-I4 PolarHBondContact O-N 3.43Å; H2-K5 WeakPolarHBondContact O-CB 3.42Å; H2-K5 PolarHBondContact O-N 3.37Å; H2-L6 PolarHBondContact O-N 3.17Å
3	D	83.6	Confident	81	Confident	118 Å²	118	116.3 Å²	116.3	63%	0.631	59%	0.586	S	S	*	*	H	α-helix	trans	-62.1	-33.6	178.7	-61.3	-24.4	0	0	0	114.3	M1 K7	M1-D3 PolarHBondContact O-N 3.13Å; D3-K7 WeakPolarHBondContact O-CB 3.4Å; D3-K7 WeakPolarHBondContact O-CG 3.45Å; D3-K7 PolarHBondContact O-N 3.13Å
4	I	86.6	Confident	81.1	Confident	116 Å²	116	115.9 Å²	115.9	60%	0.595	58%	0.579	S	S	*	*	H	α-helix	trans	-70.8	-43.2	177.7	-63.9	173.8	0	0	0	109.5	M1 H2 L6 K7 V8	M1-I4 PolarHBondContact O-N 3.03Å; H2-I4 VanDerWaalsContact C-N 3.31Å; H2-I4 PolarHBondContact O-N 3.43Å; I4-L6 VanDerWaalsContact C-N 3.35Å; I4-L6 PolarHBondContact O-N 3.16Å; I4-K7 PolarHBondContact O-N 3.32Å; I4-V8 HydrophobicContact CG2-CG2 4.41Å; I4-V8 WeakPolarHBondContact O-CG2 3.44Å; I4-V8 PolarHBondContact O-N 3.2Å
5	K	86.1	Confident	81.2	Confident	131 Å²	131	113.4 Å²	113.4	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-58.7	-47.8	175.8	-172.9	179	174.5	-176.2	0	110.8	M1 H2 K7 V8 E9	M1-K5 PolarHBondContact O-N 3.33Å; H2-K5 WeakPolarHBondContact O-CB 3.42Å; H2-K5 PolarHBondContact O-N 3.37Å; K5-K7 PolarHBondContact O-N 3.36Å; K5-V8 PolarHBondContact O-N 2.96Å; K5-E9 WeakPolarHBondContact CE-OE1 3.35Å; K5-E9 IonicContact NZ-OE1 3.61Å; K5-E9 WeakPolarHBondContact O-CB 3.3Å; K5-E9 WeakPolarHBondContact O-CG 3.46Å; K5-E9 PolarHBondContact O-N 3.43Å
6	L	84.1	Confident	81.3	Confident	88 Å²	88	110.9 Å²	110.9	46%	0.461	57%	0.57	S	S	.	*	H	α-helix	trans	-60.9	-43.6	177.4	-162.9	83.8	0	0	0	112	H2 I4 V8 E9 L10	H2-L6 PolarHBondContact O-N 3.17Å; I4-L6 VanDerWaalsContact C-N 3.35Å; I4-L6 PolarHBondContact O-N 3.16Å; L6-V8 PolarHBondContact O-N 3.5Å; L6-E9 PolarHBondContact O-N 3.11Å; L6-L10 HydrophobicContact CD2-CD1 4.32Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.35Å
7	K	83.7	Confident	81.8	Confident	156 Å²	156	107.6 Å²	107.6	68%	0.678	55%	0.554	S	S	*	*	H	α-helix	trans	-62.4	-41.4	176.3	-80.5	-178.7	179.7	-175.6	0	112.8	D3 I4 K5 S11	D3-K7 WeakPolarHBondContact O-CB 3.4Å; D3-K7 WeakPolarHBondContact O-CG 3.45Å; D3-K7 PolarHBondContact O-N 3.13Å; I4-K7 PolarHBondContact O-N 3.32Å; K5-K7 PolarHBondContact O-N 3.36Å; K7-S11 WeakPolarHBondContact O-CB 3.25Å; K7-S11 PolarHBondContact O-N 2.98Å
8	V	81.9	Confident	82.3	Confident	79 Å²	79	109.1 Å²	109.1	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-67.7	-45.6	178	171.6	0	0	0	0	110.7	I4 K5 L6 L10 S11 L12	I4-V8 HydrophobicContact CG2-CG2 4.41Å; I4-V8 WeakPolarHBondContact O-CG2 3.44Å; I4-V8 PolarHBondContact O-N 3.2Å; K5-V8 PolarHBondContact O-N 2.96Å; L6-V8 PolarHBondContact O-N 3.5Å; V8-L10 PolarHBondContact O-N 3.26Å; V8-S11 PolarHBondContact O-N 3.43Å; V8-L12 HydrophobicContact CG1-CD1 3.87Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CG 3.38Å; V8-L12 PolarHBondContact O-N 3.48Å
9	E	82.6	Confident	82.8	Confident	102 Å²	102	105.9 Å²	105.9	48%	0.477	55%	0.547	S	S	.	.	H	α-helix	trans	-60	-47.4	176.9	-74.8	172.8	173.3	0	0	111.4	K5 L6 S11 L12 M13	K5-E9 WeakPolarHBondContact CE-OE1 3.35Å; K5-E9 IonicContact NZ-OE1 3.61Å; K5-E9 WeakPolarHBondContact O-CB 3.3Å; K5-E9 WeakPolarHBondContact O-CG 3.46Å; K5-E9 PolarHBondContact O-N 3.43Å; L6-E9 PolarHBondContact O-N 3.11Å; E9-S11 PolarHBondContact O-N 2.97Å; E9-L12 PolarHBondContact O-N 2.95Å; E9-M13 WeakPolarHBondContact O-CB 3.42Å; E9-M13 PolarHBondContact O-N 2.98Å
10	L	77.9	Confident	83.3	Confident	71 Å²	71	107 Å²	107	37%	0.372	55%	0.55	S	S	.	.	H	α-helix	trans	-60.4	-46.7	174.2	-74	169.2	0	0	0	111.4	L6 V8 L12 M13 F14	L6-L10 HydrophobicContact CD2-CD1 4.32Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.35Å; V8-L10 PolarHBondContact O-N 3.26Å; L10-L12 PolarHBondContact O-N 3.06Å; L10-M13 PolarHBondContact O-N 3.48Å; L10-F14 HydrophobicContact CB-CD2 4.24Å; L10-F14 HydrophobicContact CB-CE2 3.95Å; L10-F14 HydrophobicContact CD2-CE2 3.99Å; L10-F14 HydrophobicContact CD2-CZ 4.35Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 2.9Å
11	S	80.9	Confident	83.9	Confident	79 Å²	79	106.3 Å²	106.3	55%	0.552	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-26.9	-179	-173.6	0	0	0	0	113.6	K7 V8 E9 P15	K7-S11 WeakPolarHBondContact O-CB 3.25Å; K7-S11 PolarHBondContact O-N 2.98Å; V8-S11 PolarHBondContact O-N 3.43Å; E9-S11 PolarHBondContact O-N 2.97Å; S11-P15 WeakPolarHBondContact O-CD 3.33Å; S11-P15 VanDerWaalsContact O-CG 3.26Å; S11-P15 WeakPolarHBondContact O-CG 3.43Å
12	L	79.2	Confident	85.2	Confident	115 Å²	115	100.1 Å²	100.1	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-87.5	-37.7	175.2	-69.1	171.6	0	0	0	111.7	V8 E9 L10 P15 C16	V8-L12 HydrophobicContact CG1-CD1 3.87Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CG 3.38Å; V8-L12 PolarHBondContact O-N 3.48Å; E9-L12 PolarHBondContact O-N 2.95Å; L10-L12 PolarHBondContact O-N 3.06Å; L12-P15 WeakPolarHBondContact O-CD 3.29Å; L12-C16 PolarHBondContact O-N 3.14Å
13	M	81.3	Confident	86.1	Confident	105 Å²	105	97 Å²	97	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-40	179.2	179.3	179.7	150.7	0	0	112.2	E9 L10 C16 N17	E9-M13 WeakPolarHBondContact O-CB 3.42Å; E9-M13 PolarHBondContact O-N 2.98Å; L10-M13 PolarHBondContact O-N 3.48Å; M13-C16 PolarHBondContact O-N 3.44Å; M13-N17 WeakPolarHBondContact CE-ND2 3.36Å; M13-N17 WeakPolarHBondContact O-CB 3.49Å; M13-N17 PolarHBondContact O-N 3.22Å; M13-N17 PolarHBondContact O-OD1 3.4Å
14	F	81.2	Confident	86.7	Confident	111 Å²	111	95 Å²	95	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-54.8	-179.8	-79.3	-63.1	0	0	0	112.6	L10 C16 N17 F18	L10-F14 HydrophobicContact CB-CD2 4.24Å; L10-F14 HydrophobicContact CB-CE2 3.95Å; L10-F14 HydrophobicContact CD2-CE2 3.99Å; L10-F14 HydrophobicContact CD2-CZ 4.35Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 2.9Å; F14-C16 VanDerWaalsContact C-N 3.32Å; F14-C16 PolarHBondContact O-N 2.83Å; F14-N17 PolarHBondContact O-N 2.98Å; F14-F18 HydrophobicContact CB-CD2 4.33Å; F14-F18 HydrophobicContact CB-CE2 4.22Å; F14-F18 HydrophobicContact CD1-CE2 4.3Å; F14-F18 WeakPolarHBondContact O-CD2 3.31Å; F14-F18 PolarHBondContact O-N 3.34Å
15	P	83.2	Confident	87.2	Confident	78 Å²	78	93.5 Å²	93.5	51%	0.506	49%	0.488	S	S	.	.	H	α-helix	trans	-56.9	-41.1	176.9	-26	33.8	0	0	0	113.9	S11 L12 F18 A19	S11-P15 WeakPolarHBondContact O-CD 3.33Å; S11-P15 VanDerWaalsContact O-CG 3.26Å; S11-P15 WeakPolarHBondContact O-CG 3.43Å; L12-P15 WeakPolarHBondContact O-CD 3.29Å; P15-F18 PolarHBondContact O-N 2.87Å; P15-A19 WeakPolarHBondContact O-CB 3.45Å; P15-A19 PolarHBondContact O-N 2.93Å
16	C	82.8	Confident	87.8	Confident	74 Å²	74	91.3 Å²	91.3	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-49.3	176.2	-73.6	0	0	0	0	111.4	L12 M13 F14 F18 A19 E20	L12-C16 PolarHBondContact O-N 3.14Å; M13-C16 PolarHBondContact O-N 3.44Å; F14-C16 VanDerWaalsContact C-N 3.32Å; F14-C16 PolarHBondContact O-N 2.83Å; C16-F18 VanDerWaalsContact C-N 3.33Å; C16-F18 PolarHBondContact O-N 2.97Å; C16-A19 PolarHBondContact O-N 2.78Å; C16-E20 WeakPolarHBondContact O-CG 3.39Å; C16-E20 PolarHBondContact O-N 3.39Å
17	N	89	Confident	88.4	Confident	55 Å²	55	93.2 Å²	93.2	29%	0.294	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-40.7	177.3	-68.5	-7.6	0	0	0	111.9	M13 F14 E20 I21	M13-N17 WeakPolarHBondContact CE-ND2 3.36Å; M13-N17 WeakPolarHBondContact O-CB 3.49Å; M13-N17 PolarHBondContact O-N 3.22Å; M13-N17 PolarHBondContact O-OD1 3.4Å; F14-N17 PolarHBondContact O-N 2.98Å; N17-E20 PolarHBondContact O-N 3.5Å; N17-I21 WeakPolarHBondContact O-CB 3.46Å; N17-I21 WeakPolarHBondContact O-CD1 3.41Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 3.35Å; N17-I21 PolarHBondContact O-N 3.49Å
18	F	91.4	Very high	89.1	Confident	133 Å²	133	89.2 Å²	89.2	58%	0.583	47%	0.469	S	S	*	.	H	α-helix	trans	-63.1	-43.6	175.8	-81	-64.8	0	0	0	111.9	F14 P15 C16 E20 I21 T22	F14-F18 HydrophobicContact CB-CD2 4.33Å; F14-F18 HydrophobicContact CB-CE2 4.22Å; F14-F18 HydrophobicContact CD1-CE2 4.3Å; F14-F18 WeakPolarHBondContact O-CD2 3.31Å; F14-F18 PolarHBondContact O-N 3.34Å; P15-F18 PolarHBondContact O-N 2.87Å; C16-F18 VanDerWaalsContact C-N 3.33Å; C16-F18 PolarHBondContact O-N 2.97Å; F18-E20 PolarHBondContact O-N 2.93Å; F18-I21 PolarHBondContact O-N 3.38Å; F18-T22 WeakPolarHBondContact O-CB 3.4Å; F18-T22 PolarHBondContact O-N 3.36Å; F18-T22 PolarHBondContact O-OG1 3.36Å
19	A	92.1	Very high	89.9	Confident	49 Å²	49	89.3 Å²	89.3	41%	0.405	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-41.4	176.7	0	0	0	0	0	111.8	P15 C16 T22 N23	P15-A19 WeakPolarHBondContact O-CB 3.45Å; P15-A19 PolarHBondContact O-N 2.93Å; C16-A19 PolarHBondContact O-N 2.78Å; A19-T22 PolarHBondContact O-N 3.24Å; A19-N23 VanDerWaalsContact O-CB 3.31Å; A19-N23 WeakPolarHBondContact O-CB 3.43Å; A19-N23 PolarHBondContact O-N 3.18Å; A19-N23 PolarHBondContact O-ND2 3.06Å
20	E	93.7	Very high	90.6	Very high	127 Å²	127	89 Å²	89	59%	0.593	47%	0.472	S	S	*	.	H	α-helix	trans	-62.6	-44.3	175.8	-73.3	176.4	-176.7	0	0	112.5	C16 N17 F18 N23 Q24	C16-E20 WeakPolarHBondContact O-CG 3.39Å; C16-E20 PolarHBondContact O-N 3.39Å; N17-E20 PolarHBondContact O-N 3.5Å; F18-E20 PolarHBondContact O-N 2.93Å; E20-N23 PolarHBondContact O-N 3.31Å; E20-Q24 WeakPolarHBondContact O-CB 3.31Å; E20-Q24 PolarHBondContact O-N 3.46Å
21	I	94.6	Very high	91.6	Very high	94 Å²	94	91.8 Å²	91.8	48%	0.482	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-47.8	176.6	-69.2	165.2	0	0	0	110.5	N17 F18 N23 Q24 I25	N17-I21 WeakPolarHBondContact O-CB 3.46Å; N17-I21 WeakPolarHBondContact O-CD1 3.41Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 3.35Å; N17-I21 PolarHBondContact O-N 3.49Å; F18-I21 PolarHBondContact O-N 3.38Å; I21-N23 PolarHBondContact O-N 3.05Å; I21-Q24 WeakPolarHBondContact O-CB 3.32Å; I21-Q24 PolarHBondContact O-N 3.44Å; I21-Q24 VanDerWaalsContact O-N 3.12Å; I21-I25 HydrophobicContact CG2-CD1 3.85Å; I21-I25 HydrophobicContact CG2-CG1 4.45Å; I21-I25 WeakPolarHBondContact O-CG1 3.39Å; I21-I25 PolarHBondContact O-N 3.23Å
22	T	95.6	Very high	92.4	Very high	73 Å²	73	94.3 Å²	94.3	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-47.1	177.5	-60.9	0	0	0	0	111.1	F18 A19 Q24 I25 D26	F18-T22 WeakPolarHBondContact O-CB 3.4Å; F18-T22 PolarHBondContact O-N 3.36Å; F18-T22 PolarHBondContact O-OG1 3.36Å; A19-T22 PolarHBondContact O-N 3.24Å; T22-Q24 PolarHBondContact O-N 2.99Å; T22-I25 PolarHBondContact O-N 2.93Å; T22-D26 PolarHBondContact O-N 2.91Å
23	N	96.2	Very high	93.4	Very high	84 Å²	84	93.5 Å²	93.5	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-60.7	-35.4	176.4	-74.5	-34.2	0	0	0	112.4	A19 E20 I21 R27	A19-N23 VanDerWaalsContact O-CB 3.31Å; A19-N23 WeakPolarHBondContact O-CB 3.43Å; A19-N23 PolarHBondContact O-N 3.18Å; A19-N23 PolarHBondContact O-ND2 3.06Å; E20-N23 PolarHBondContact O-N 3.31Å; I21-N23 PolarHBondContact O-N 3.05Å; N23-R27 WeakPolarHBondContact O-CG 3.43Å; N23-R27 PolarHBondContact O-N 2.92Å; N23-R27 VanDerWaalsContact O-N 3.12Å
24	Q	96.5	Very high	94.2	Very high	74 Å²	74	91.1 Å²	91.1	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-69.2	-44.2	176.2	-175.9	56.2	37.3	0	0	111.4	E20 I21 T22 D26 R27 D28	E20-Q24 WeakPolarHBondContact O-CB 3.31Å; E20-Q24 PolarHBondContact O-N 3.46Å; I21-Q24 WeakPolarHBondContact O-CB 3.32Å; I21-Q24 PolarHBondContact O-N 3.44Å; I21-Q24 VanDerWaalsContact O-N 3.12Å; T22-Q24 PolarHBondContact O-N 2.99Å; Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-D26 PolarHBondContact O-N 2.95Å; Q24-R27 PolarHBondContact O-N 3.45Å; Q24-D28 PolarHBondContact NE2-OD1 3.2Å; Q24-D28 PolarHBondContact NE2-OD2 2.97Å; Q24-D28 WeakPolarHBondContact O-CB 3.38Å; Q24-D28 PolarHBondContact O-N 3.19Å
25	I	97.5	Very high	95	Very high	86 Å²	86	87.9 Å²	87.9	44%	0.441	47%	0.466	S	S	.	.	H	α-helix	trans	-58	-45.4	174.7	-70.2	167.7	0	0	0	110.5	I21 T22 R27 D28 N29	I21-I25 HydrophobicContact CG2-CD1 3.85Å; I21-I25 HydrophobicContact CG2-CG1 4.45Å; I21-I25 WeakPolarHBondContact O-CG1 3.39Å; I21-I25 PolarHBondContact O-N 3.23Å; T22-I25 PolarHBondContact O-N 2.93Å; I25-R27 PolarHBondContact O-N 3.3Å; I25-D28 PolarHBondContact O-N 3.45Å; I25-N29 WeakPolarHBondContact O-CB 3.37Å; I25-N29 VanDerWaalsContact O-CG 3.27Å; I25-N29 PolarHBondContact O-N 3Å; I25-N29 PolarHBondContact O-ND2 3.39Å
26	D	97.6	Very high	95.7	Very high	85 Å²	85	86.6 Å²	86.6	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-62.5	-43.3	178.9	-71.5	-23.8	0	0	0	111.8	T22 Q24 D28 N29 V30	T22-D26 PolarHBondContact O-N 2.91Å; Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-D26 PolarHBondContact O-N 2.95Å; D26-D28 VanDerWaalsContact C-N 3.34Å; D26-D28 PolarHBondContact O-N 2.9Å; D26-N29 PolarHBondContact O-N 2.91Å; D26-V30 WeakPolarHBondContact O-CG2 2.82Å; D26-V30 PolarHBondContact O-N 2.98Å
27	R	97.7	Very high	96.5	Very high	128 Å²	128	88.2 Å²	88.2	48%	0.483	46%	0.457	S	S	.	.	H	α-helix	trans	-61.8	-42.2	174.8	-75.6	-172.2	-63.6	-100.4	4.6	112.2	N23 Q24 I25 V30 K31	N23-R27 WeakPolarHBondContact O-CG 3.43Å; N23-R27 PolarHBondContact O-N 2.92Å; N23-R27 VanDerWaalsContact O-N 3.12Å; Q24-R27 PolarHBondContact O-N 3.45Å; I25-R27 PolarHBondContact O-N 3.3Å; R27-V30 PolarHBondContact O-N 3.36Å; R27-K31 WeakPolarHBondContact O-CG 3.45Å; R27-K31 PolarHBondContact O-N 3.45Å
28	D	98.2	Very high	96.9	Very high	71 Å²	71	93.2 Å²	93.2	38%	0.38	47%	0.471	S	S	.	.	H	α-helix	trans	-71.1	-36.9	-179.2	-69.6	-20.7	0	0	0	111.3	Q24 I25 D26 K31 F32	Q24-D28 PolarHBondContact NE2-OD1 3.2Å; Q24-D28 PolarHBondContact NE2-OD2 2.97Å; Q24-D28 WeakPolarHBondContact O-CB 3.38Å; Q24-D28 PolarHBondContact O-N 3.19Å; I25-D28 PolarHBondContact O-N 3.45Å; D26-D28 VanDerWaalsContact C-N 3.34Å; D26-D28 PolarHBondContact O-N 2.9Å; D28-K31 PolarHBondContact O-N 3.17Å; D28-K31 IonicContact OD1-NZ 3.79Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.45Å; D28-F32 PolarHBondContact O-N 2.92Å
29	N	98.4	Very high	97.3	Very high	81 Å²	81	91.9 Å²	91.9	43%	0.433	47%	0.47	S	S	.	.	H	α-helix	trans	-60.6	-44.9	171.6	-77.3	-24	0	0	0	111.8	I25 D26 F32 N33	I25-N29 WeakPolarHBondContact O-CB 3.37Å; I25-N29 VanDerWaalsContact O-CG 3.27Å; I25-N29 PolarHBondContact O-N 3Å; I25-N29 PolarHBondContact O-ND2 3.39Å; D26-N29 PolarHBondContact O-N 2.91Å; N29-F32 PolarHBondContact O-N 2.96Å; N29-N33 WeakPolarHBondContact O-CB 3.49Å; N29-N33 VanDerWaalsContact O-CG 3.26Å; N29-N33 PolarHBondContact O-N 2.9Å; N29-N33 PolarHBondContact O-ND2 2.63Å
30	V	98.3	Very high	97.6	Very high	95 Å²	95	94.4 Å²	94.4	58%	0.576	47%	0.473	S	S	*	.	H	α-helix	trans	-61.8	-45.1	176.4	170.1	0	0	0	0	111.3	D26 R27 S34	D26-V30 WeakPolarHBondContact O-CG2 2.82Å; D26-V30 PolarHBondContact O-N 2.98Å; R27-V30 PolarHBondContact O-N 3.36Å; V30-S34 WeakPolarHBondContact O-CB 3.21Å; V30-S34 PolarHBondContact O-N 2.95Å; V30-S34 PolarHBondContact O-OG 3.35Å
31	K	98.3	Very high	97.8	Very high	131 Å²	131	92.5 Å²	92.5	57%	0.57	46%	0.464	S	S	*	.	H	α-helix	trans	-63.3	-42.9	176.8	-73	173.9	-175.3	171.7	0	112	R27 D28 S34 A35	R27-K31 WeakPolarHBondContact O-CG 3.45Å; R27-K31 PolarHBondContact O-N 3.45Å; D28-K31 PolarHBondContact O-N 3.17Å; D28-K31 IonicContact OD1-NZ 3.79Å; K31-S34 PolarHBondContact O-N 3.41Å; K31-A35 WeakPolarHBondContact O-CB 3.46Å; K31-A35 PolarHBondContact O-N 2.91Å
32	F	98.5	Very high	98	Very high	131 Å²	131	91.3 Å²	91.3	58%	0.575	46%	0.461	S	S	*	.	H	α-helix	trans	-61.4	-51.1	178.4	178.4	-96.2	0	0	0	110.8	D28 N29 S34 A35 V36	D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.45Å; D28-F32 PolarHBondContact O-N 2.92Å; N29-F32 PolarHBondContact O-N 2.96Å; F32-S34 VanDerWaalsContact C-N 3.28Å; F32-S34 PolarHBondContact O-N 3.44Å; F32-A35 WeakPolarHBondContact O-CA 3.41Å; F32-A35 WeakPolarHBondContact O-CB 3.46Å; F32-A35 PolarHBondContact O-N 2.94Å; F32-V36 HydrophobicContact CD1-CG2 4.11Å; F32-V36 HydrophobicContact CE1-CG2 3.66Å; F32-V36 HydrophobicContact CE2-CG2 4.28Å; F32-V36 HydrophobicContact CZ-CG2 3.75Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.49Å
33	N	98.5	Very high	98.1	Very high	99 Å²	99	91.7 Å²	91.7	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-59.8	-39.9	178.1	-71	-21.1	0	0	0	111.8	N29 A35 V36 Q37	N29-N33 WeakPolarHBondContact O-CB 3.49Å; N29-N33 VanDerWaalsContact O-CG 3.26Å; N29-N33 PolarHBondContact O-N 2.9Å; N29-N33 PolarHBondContact O-ND2 2.63Å; N33-A35 VanDerWaalsContact C-N 3.3Å; N33-A35 PolarHBondContact O-N 3.29Å; N33-V36 PolarHBondContact O-N 3.38Å; N33-Q37 WeakPolarHBondContact O-CB 3.48Å; N33-Q37 PolarHBondContact O-N 3.2Å
34	S	98.4	Very high	98.3	Very high	55 Å²	55	95.8 Å²	95.8	39%	0.385	47%	0.471	S	S	.	.	H	α-helix	trans	-66.4	-31.1	175.1	-58.2	0	0	0	0	112.9	V30 K31 F32 R38	V30-S34 WeakPolarHBondContact O-CB 3.21Å; V30-S34 PolarHBondContact O-N 2.95Å; V30-S34 PolarHBondContact O-OG 3.35Å; K31-S34 PolarHBondContact O-N 3.41Å; F32-S34 VanDerWaalsContact C-N 3.28Å; F32-S34 PolarHBondContact O-N 3.44Å; S34-R38 WeakPolarHBondContact O-CG 3.33Å; S34-R38 PolarHBondContact O-N 2.95Å; S34-R38 PolarHBondContact O-NE 3.23Å
35	A	98.3	Very high	98.4	Very high	42 Å²	42	99.1 Å²	99.1	35%	0.347	48%	0.484	S	S	.	.	H	α-helix	trans	-73.6	-41.9	174.6	0	0	0	0	0	111.5	K31 F32 N33 R38 L39	K31-A35 WeakPolarHBondContact O-CB 3.46Å; K31-A35 PolarHBondContact O-N 2.91Å; F32-A35 WeakPolarHBondContact O-CA 3.41Å; F32-A35 WeakPolarHBondContact O-CB 3.46Å; F32-A35 PolarHBondContact O-N 2.94Å; N33-A35 VanDerWaalsContact C-N 3.3Å; N33-A35 PolarHBondContact O-N 3.29Å; A35-R38 PolarHBondContact O-N 3.2Å; A35-L39 PolarHBondContact O-N 3.45Å
36	V	98.6	Very high	98.4	Very high	51 Å²	51	100.4 Å²	100.4	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-60	-49.9	174.9	172.6	0	0	0	0	110.5	F32 N33 R38 L39 E40	F32-V36 HydrophobicContact CD1-CG2 4.11Å; F32-V36 HydrophobicContact CE1-CG2 3.66Å; F32-V36 HydrophobicContact CE2-CG2 4.28Å; F32-V36 HydrophobicContact CZ-CG2 3.75Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.49Å; N33-V36 PolarHBondContact O-N 3.38Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 3.47Å; V36-L39 WeakPolarHBondContact O-CA 3.35Å; V36-L39 WeakPolarHBondContact O-CB 3.29Å; V36-L39 PolarHBondContact O-N 3.02Å; V36-E40 HydrophobicContact CG1-CG 4.33Å; V36-E40 WeakPolarHBondContact O-CG 3.28Å; V36-E40 PolarHBondContact O-N 3.38Å
37	Q	98.6	Very high	98.5	Very high	108 Å²	108	100.8 Å²	100.8	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-58.2	-43.5	179.6	-174.6	-177.8	-13.2	0	0	112.2	N33 L39 E40 E41	N33-Q37 WeakPolarHBondContact O-CB 3.48Å; N33-Q37 PolarHBondContact O-N 3.2Å; Q37-L39 VanDerWaalsContact C-N 3.31Å; Q37-L39 PolarHBondContact O-N 3.43Å; Q37-E40 PolarHBondContact O-N 3.17Å; Q37-E41 PolarHBondContact NE2-OE1 3.47Å; Q37-E41 WeakPolarHBondContact O-CG 3.27Å; Q37-E41 PolarHBondContact O-N 3.08Å
38	R	98.4	Very high	98.5	Very high	161 Å²	161	97.2 Å²	97.2	61%	0.608	49%	0.487	S	S	*	.	H	α-helix	trans	-64	-37.2	176.4	-74.5	-176.3	-63.1	153.3	1.1	112.6	S34 A35 V36 T42	S34-R38 WeakPolarHBondContact O-CG 3.33Å; S34-R38 PolarHBondContact O-N 2.95Å; S34-R38 PolarHBondContact O-NE 3.23Å; A35-R38 PolarHBondContact O-N 3.2Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 3.47Å; R38-T42 WeakPolarHBondContact O-CB 3.49Å; R38-T42 PolarHBondContact O-N 3.42Å; R38-T42 PolarHBondContact O-OG1 2.95Å
39	L	98.6	Very high	98.5	Very high	105 Å²	105	97.7 Å²	97.7	55%	0.55	49%	0.49	S	S	.	.	H	α-helix	trans	-66.4	-45.8	176.1	-179.8	61.7	0	0	0	110.6	A35 V36 Q37 E41 T42 L43	A35-L39 PolarHBondContact O-N 3.45Å; V36-L39 WeakPolarHBondContact O-CA 3.35Å; V36-L39 WeakPolarHBondContact O-CB 3.29Å; V36-L39 PolarHBondContact O-N 3.02Å; Q37-L39 VanDerWaalsContact C-N 3.31Å; Q37-L39 PolarHBondContact O-N 3.43Å; L39-E41 PolarHBondContact O-N 2.88Å; L39-T42 WeakPolarHBondContact O-CB 3.38Å; L39-T42 PolarHBondContact O-N 3.46Å; L39-L43 HydrophobicContact CD1-CD1 4.37Å; L39-L43 HydrophobicContact CD1-CG 4.33Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.25Å; L39-L43 PolarHBondContact O-N 2.93Å
40	E	98.7	Very high	98.6	Very high	101 Å²	101	97.2 Å²	97.2	47%	0.472	49%	0.489	S	S	.	.	H	α-helix	trans	-57.8	-49.9	175.9	-70.4	176.1	154.9	0	0	111.2	V36 Q37 T42 L43 Y44	V36-E40 HydrophobicContact CG1-CG 4.33Å; V36-E40 WeakPolarHBondContact O-CG 3.28Å; V36-E40 PolarHBondContact O-N 3.38Å; Q37-E40 PolarHBondContact O-N 3.17Å; E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 3.49Å; E40-L43 PolarHBondContact O-N 2.98Å; E40-L43 VanDerWaalsContact O-N 3.17Å; E40-Y44 WeakPolarHBondContact O-CD2 3.3Å; E40-Y44 PolarHBondContact O-N 3.49Å
41	E	98.6	Very high	98.6	Very high	88 Å²	88	98.1 Å²	98.1	41%	0.411	49%	0.487	S	S	.	.	H	α-helix	trans	-58.6	-38.1	176.5	-73.8	175.2	-163.1	0	0	112.5	Q37 L39 K45	Q37-E41 PolarHBondContact NE2-OE1 3.47Å; Q37-E41 WeakPolarHBondContact O-CG 3.27Å; Q37-E41 PolarHBondContact O-N 3.08Å; L39-E41 PolarHBondContact O-N 2.88Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 2.92Å; E41-K45 VanDerWaalsContact O-N 3.11Å
42	T	98.7	Very high	98.6	Very high	68 Å²	68	99.4 Å²	99.4	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-67.7	-44.1	177.2	-59.4	0	0	0	0	111	R38 L39 E40 K45 Q46	R38-T42 WeakPolarHBondContact O-CB 3.49Å; R38-T42 PolarHBondContact O-N 3.42Å; R38-T42 PolarHBondContact O-OG1 2.95Å; L39-T42 WeakPolarHBondContact O-CB 3.38Å; L39-T42 PolarHBondContact O-N 3.46Å; E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 3.49Å; T42-K45 PolarHBondContact O-N 2.92Å; T42-Q46 WeakPolarHBondContact O-CG 3.34Å; T42-Q46 PolarHBondContact O-N 2.99Å
43	L	98.7	Very high	98.6	Very high	81 Å²	81	100.2 Å²	100.2	42%	0.424	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-43.9	177.4	-71.7	171.4	0	0	0	111.3	L39 E40 K45 Q46 I47	L39-L43 HydrophobicContact CD1-CD1 4.37Å; L39-L43 HydrophobicContact CD1-CG 4.33Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.25Å; L39-L43 PolarHBondContact O-N 2.93Å; E40-L43 PolarHBondContact O-N 2.98Å; E40-L43 VanDerWaalsContact O-N 3.17Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.45Å; L43-Q46 PolarHBondContact O-N 3.22Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.19Å
44	Y	98.7	Very high	98.6	Very high	171 Å²	171	100.5 Å²	100.5	67%	0.671	49%	0.488	S	S	*	.	H	α-helix	trans	-59.1	-42.7	175.1	-82.2	-65.1	0	0	0	112.3	E40 I47 A48	E40-Y44 WeakPolarHBondContact O-CD2 3.3Å; E40-Y44 PolarHBondContact O-N 3.49Å; Y44-I47 PolarHBondContact O-N 3.43Å; Y44-A48 WeakPolarHBondContact O-CB 3.39Å; Y44-A48 PolarHBondContact O-N 3.04Å
45	K	98.6	Very high	98.6	Very high	144 Å²	144	104 Å²	104	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-41.3	175.6	-74.4	171.9	-176.4	169.4	0	112.2	E41 T42 L43 A48 D49	E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 2.92Å; E41-K45 VanDerWaalsContact O-N 3.11Å; T42-K45 PolarHBondContact O-N 2.92Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.45Å; K45-A48 PolarHBondContact O-N 2.79Å; K45-D49 PolarHBondContact O-N 3.34Å
46	Q	98.7	Very high	98.7	Very high	113 Å²	113	106.5 Å²	106.5	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177.8	-74.4	177.1	-12.5	0	0	111.9	T42 L43 D49 V50	T42-Q46 WeakPolarHBondContact O-CG 3.34Å; T42-Q46 PolarHBondContact O-N 2.99Å; L43-Q46 PolarHBondContact O-N 3.22Å; Q46-D49 PolarHBondContact O-N 2.91Å; Q46-V50 WeakPolarHBondContact O-CG2 3.33Å; Q46-V50 PolarHBondContact O-N 3.46Å
47	I	98.7	Very high	98.7	Very high	93 Å²	93	108.7 Å²	108.7	48%	0.477	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-49.8	175.2	-69.4	166.1	0	0	0	109.9	L43 Y44 D49 V50 E51	L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.19Å; Y44-I47 PolarHBondContact O-N 3.43Å; I47-D49 VanDerWaalsContact C-N 3.31Å; I47-D49 PolarHBondContact O-N 3.29Å; I47-V50 PolarHBondContact O-N 3.46Å; I47-V50 VanDerWaalsContact O-N 3.17Å; I47-E51 HydrophobicContact CG2-CG 4.33Å; I47-E51 WeakPolarHBondContact O-CG 3.33Å; I47-E51 PolarHBondContact O-N 2.99Å
48	A	98.5	Very high	98.7	Very high	52 Å²	52	108 Å²	108	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-61	-37.6	179.4	0	0	0	0	0	113	Y44 K45 R52	Y44-A48 WeakPolarHBondContact O-CB 3.39Å; Y44-A48 PolarHBondContact O-N 3.04Å; K45-A48 PolarHBondContact O-N 2.79Å; A48-R52 WeakPolarHBondContact O-CB 3.45Å; A48-R52 PolarHBondContact O-N 3.25Å
49	D	98.7	Very high	98.7	Very high	82 Å²	82	103.7 Å²	103.7	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-45.5	174.4	-178.6	68.6	0	0	0	111.9	K45 Q46 I47 R52 R53	K45-D49 PolarHBondContact O-N 3.34Å; Q46-D49 PolarHBondContact O-N 2.91Å; I47-D49 VanDerWaalsContact C-N 3.31Å; I47-D49 PolarHBondContact O-N 3.29Å; D49-R52 PolarHBondContact O-N 3.02Å; D49-R53 WeakPolarHBondContact O-CB 3.35Å; D49-R53 VanDerWaalsContact O-CG 3.27Å; D49-R53 WeakPolarHBondContact O-CG 3.47Å; D49-R53 PolarHBondContact O-N 3.44Å; D49-R53 VanDerWaalsContact OD2-CD 3.25Å; D49-R53 WeakPolarHBondContact OD2-CD 3.39Å; D49-R53 IonicContact OD2-NH1 3.92Å
50	V	98.7	Very high	98.7	Very high	71 Å²	71	103.2 Å²	103.2	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-45	177.2	170.8	0	0	0	0	110.9	Q46 I47 R52 R53 L54	Q46-V50 WeakPolarHBondContact O-CG2 3.33Å; Q46-V50 PolarHBondContact O-N 3.46Å; I47-V50 PolarHBondContact O-N 3.46Å; I47-V50 VanDerWaalsContact O-N 3.17Å; V50-R52 PolarHBondContact O-N 3.32Å; V50-R53 PolarHBondContact O-N 2.96Å; V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 HydrophobicContact CG1-CG 4.36Å; V50-L54 WeakPolarHBondContact O-CB 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.5Å; V50-L54 PolarHBondContact O-N 3.35Å
51	E	98.8	Very high	98.7	Very high	113 Å²	113	102 Å²	102	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-58.8	-46.1	176.4	-73.7	-179.1	145.2	0	0	111.6	I47 R53 L54 Q55	I47-E51 HydrophobicContact CG2-CG 4.33Å; I47-E51 WeakPolarHBondContact O-CG 3.33Å; I47-E51 PolarHBondContact O-N 2.99Å; E51-R53 PolarHBondContact O-N 3.26Å; E51-L54 PolarHBondContact O-N 3.35Å; E51-Q55 WeakPolarHBondContact O-CG 3.32Å; E51-Q55 PolarHBondContact O-N 3.46Å
52	R	98.7	Very high	98.7	Very high	159 Å²	159	103.6 Å²	103.6	60%	0.6	50%	0.501	S	S	*	.	H	α-helix	trans	-59.6	-45.7	176.6	-178	-175.1	176.1	114.6	-0.4	111.7	A48 D49 V50 Q55 Q56	A48-R52 WeakPolarHBondContact O-CB 3.45Å; A48-R52 PolarHBondContact O-N 3.25Å; D49-R52 PolarHBondContact O-N 3.02Å; V50-R52 PolarHBondContact O-N 3.32Å; R52-Q55 PolarHBondContact O-N 2.9Å; R52-Q56 WeakPolarHBondContact O-CG 3.38Å; R52-Q56 PolarHBondContact O-N 3.39Å
53	R	98.8	Very high	98.7	Very high	148 Å²	148	105 Å²	105	56%	0.558	51%	0.506	S	S	*	.	H	α-helix	trans	-65.5	-39	179.7	-72.6	166.7	58.4	-163.4	-3.9	112	D49 V50 E51 Q56 K57	D49-R53 WeakPolarHBondContact O-CB 3.35Å; D49-R53 VanDerWaalsContact O-CG 3.27Å; D49-R53 WeakPolarHBondContact O-CG 3.47Å; D49-R53 PolarHBondContact O-N 3.44Å; D49-R53 VanDerWaalsContact OD2-CD 3.25Å; D49-R53 WeakPolarHBondContact OD2-CD 3.39Å; D49-R53 IonicContact OD2-NH1 3.92Å; V50-R53 PolarHBondContact O-N 2.96Å; E51-R53 PolarHBondContact O-N 3.26Å; R53-Q56 PolarHBondContact O-N 3.45Å; R53-K57 PolarHBondContact O-N 3.44Å
54	L	98.8	Very high	98.7	Very high	104 Å²	104	106.3 Å²	106.3	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-43.9	174.7	-73.4	173.1	0	0	0	111.5	V50 E51 Q56 K57 I58	V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 HydrophobicContact CG1-CG 4.36Å; V50-L54 WeakPolarHBondContact O-CB 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.5Å; V50-L54 PolarHBondContact O-N 3.35Å; E51-L54 PolarHBondContact O-N 3.35Å; L54-Q56 VanDerWaalsContact C-N 3.35Å; L54-Q56 PolarHBondContact O-N 2.98Å; L54-K57 PolarHBondContact O-N 2.87Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.34Å; L54-I58 PolarHBondContact O-N 2.75Å
55	Q	98.8	Very high	98.7	Very high	129 Å²	129	103 Å²	103	60%	0.603	50%	0.503	S	S	*	.	H	α-helix	trans	-59.8	-44.5	175.3	-74	174.2	-7.8	0	0	111.9	E51 R52 K57 I58 S59	E51-Q55 WeakPolarHBondContact O-CG 3.32Å; E51-Q55 PolarHBondContact O-N 3.46Å; R52-Q55 PolarHBondContact O-N 2.9Å; Q55-K57 VanDerWaalsContact C-N 3.35Å; Q55-K57 PolarHBondContact O-N 3.17Å; Q55-I58 PolarHBondContact O-N 3.17Å; Q55-S59 PolarHBondContact O-N 3Å; Q55-S59 PolarHBondContact O-OG 2.93Å
56	Q	98.7	Very high	98.7	Very high	94 Å²	94	102.7 Å²	102.7	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-59.2	-45.5	175	-73.2	174.9	-24.9	0	0	111.7	R52 R53 L54 I58 S59 E60	R52-Q56 WeakPolarHBondContact O-CG 3.38Å; R52-Q56 PolarHBondContact O-N 3.39Å; R53-Q56 PolarHBondContact O-N 3.45Å; L54-Q56 VanDerWaalsContact C-N 3.35Å; L54-Q56 PolarHBondContact O-N 2.98Å; Q56-I58 VanDerWaalsContact C-N 3.33Å; Q56-I58 PolarHBondContact O-N 3.34Å; Q56-S59 PolarHBondContact O-N 3.02Å; Q56-E60 WeakPolarHBondContact O-CG 3.49Å; Q56-E60 PolarHBondContact O-N 3.03Å
57	K	98.7	Very high	98.7	Very high	97 Å²	97	100.6 Å²	100.6	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-37.3	178.8	-166.3	71.6	-152.5	153.9	0	112.6	R53 L54 Q55 E60 L61	R53-K57 PolarHBondContact O-N 3.44Å; L54-K57 PolarHBondContact O-N 2.87Å; Q55-K57 VanDerWaalsContact C-N 3.35Å; Q55-K57 PolarHBondContact O-N 3.17Å; K57-E60 WeakPolarHBondContact CD-OE2 3.13Å; K57-E60 IonicContact NZ-OE2 2.63Å; K57-E60 PolarHBondContact NZ-OE2 3Å; K57-E60 PolarHBondContact O-N 3.3Å; K57-L61 HydrophobicContact CG-CD1 4.32Å; K57-L61 WeakPolarHBondContact O-CG 3.4Å; K57-L61 PolarHBondContact O-N 3.19Å
58	I	98.7	Very high	98.7	Very high	93 Å²	93	99.4 Å²	99.4	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-61.5	-46.6	173.8	-71	165.4	0	0	0	110.1	L54 Q55 Q56 E60 L61 Q62	L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.34Å; L54-I58 PolarHBondContact O-N 2.75Å; Q55-I58 PolarHBondContact O-N 3.17Å; Q56-I58 VanDerWaalsContact C-N 3.33Å; Q56-I58 PolarHBondContact O-N 3.34Å; I58-E60 PolarHBondContact O-N 2.88Å; I58-L61 PolarHBondContact O-N 2.97Å; I58-Q62 HydrophobicContact CG2-CG 4.39Å; I58-Q62 WeakPolarHBondContact O-CB 3.4Å; I58-Q62 VanDerWaalsContact O-CG 3.29Å; I58-Q62 WeakPolarHBondContact O-CG 3.41Å; I58-Q62 PolarHBondContact O-N 3.4Å
59	S	98.6	Very high	98.7	Very high	72 Å²	72	101.1 Å²	101.1	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-40.5	178.5	-62	0	0	0	0	113	Q55 Q56 Q62 N63	Q55-S59 PolarHBondContact O-N 3Å; Q55-S59 PolarHBondContact O-OG 2.93Å; Q56-S59 PolarHBondContact O-N 3.02Å; S59-Q62 PolarHBondContact O-N 3.31Å; S59-N63 PolarHBondContact O-N 3.11Å; S59-N63 VanDerWaalsContact O-N 3.08Å
60	E	98.7	Very high	98.7	Very high	94 Å²	94	101.2 Å²	101.2	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-58.9	-50.5	173.8	-73.5	172.2	-170.1	0	0	111.5	Q56 K57 I58 Q62 N63 E64	Q56-E60 WeakPolarHBondContact O-CG 3.49Å; Q56-E60 PolarHBondContact O-N 3.03Å; K57-E60 WeakPolarHBondContact CD-OE2 3.13Å; K57-E60 IonicContact NZ-OE2 2.63Å; K57-E60 PolarHBondContact NZ-OE2 3Å; K57-E60 PolarHBondContact O-N 3.3Å; I58-E60 PolarHBondContact O-N 2.88Å; E60-Q62 VanDerWaalsContact C-N 3.33Å; E60-Q62 PolarHBondContact O-N 3.43Å; E60-N63 WeakPolarHBondContact O-CB 3.43Å; E60-N63 PolarHBondContact O-N 2.88Å; E60-N63 VanDerWaalsContact O-N 3.17Å; E60-E64 WeakPolarHBondContact O-CG 3.35Å; E60-E64 PolarHBondContact O-N 3.5Å
61	L	98.8	Very high	98.7	Very high	77 Å²	77	103.1 Å²	103.1	40%	0.403	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-38.1	-179.5	-71.5	171.2	0	0	0	112.1	K57 I58 N63 E64 I65	K57-L61 HydrophobicContact CG-CD1 4.32Å; K57-L61 WeakPolarHBondContact O-CG 3.4Å; K57-L61 PolarHBondContact O-N 3.19Å; I58-L61 PolarHBondContact O-N 2.97Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.22Å; L61-E64 PolarHBondContact O-N 2.87Å; L61-I65 WeakPolarHBondContact O-CB 3.24Å; L61-I65 WeakPolarHBondContact O-CD1 3.47Å; L61-I65 WeakPolarHBondContact O-CG1 3.46Å; L61-I65 PolarHBondContact O-N 3.04Å
62	Q	98.8	Very high	98.7	Very high	120 Å²	120	101.6 Å²	101.6	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-60.8	-42.5	174.4	-76.5	174.4	-31.5	0	0	111.6	I58 S59 E60 I65 Q66	I58-Q62 HydrophobicContact CG2-CG 4.39Å; I58-Q62 WeakPolarHBondContact O-CB 3.4Å; I58-Q62 VanDerWaalsContact O-CG 3.29Å; I58-Q62 WeakPolarHBondContact O-CG 3.41Å; I58-Q62 PolarHBondContact O-N 3.4Å; S59-Q62 PolarHBondContact O-N 3.31Å; E60-Q62 VanDerWaalsContact C-N 3.33Å; E60-Q62 PolarHBondContact O-N 3.43Å; Q62-I65 PolarHBondContact O-N 3.43Å; Q62-Q66 WeakPolarHBondContact O-CB 3.47Å; Q62-Q66 PolarHBondContact O-N 3.03Å
63	N	98.7	Very high	98.7	Very high	97 Å²	97	98.5 Å²	98.5	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-43.7	177	-176.5	63.3	0	0	0	111.9	S59 E60 L61 I65 Q66 V67	S59-N63 PolarHBondContact O-N 3.11Å; S59-N63 VanDerWaalsContact O-N 3.08Å; E60-N63 WeakPolarHBondContact O-CB 3.43Å; E60-N63 PolarHBondContact O-N 2.88Å; E60-N63 VanDerWaalsContact O-N 3.17Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.22Å; N63-I65 VanDerWaalsContact C-N 3.34Å; N63-I65 PolarHBondContact O-N 2.88Å; N63-Q66 PolarHBondContact O-N 3.33Å; N63-V67 WeakPolarHBondContact O-CG2 3.41Å; N63-V67 PolarHBondContact O-N 3.17Å
64	E	98.8	Very high	98.7	Very high	110 Å²	110	94.8 Å²	94.8	51%	0.514	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-44.4	175.4	-73.1	173.6	-163.7	0	0	111.9	E60 L61 V67 S68	E60-E64 WeakPolarHBondContact O-CG 3.35Å; E60-E64 PolarHBondContact O-N 3.5Å; L61-E64 PolarHBondContact O-N 2.87Å; E64-V67 PolarHBondContact O-N 3.19Å; E64-S68 WeakPolarHBondContact O-CB 3.48Å; E64-S68 PolarHBondContact O-N 2.89Å
65	I	98.8	Very high	98.7	Very high	102 Å²	102	96 Å²	96	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176	-71.2	165.9	0	0	0	110.5	L61 Q62 N63 V67 S68 I69	L61-I65 WeakPolarHBondContact O-CB 3.24Å; L61-I65 WeakPolarHBondContact O-CD1 3.47Å; L61-I65 WeakPolarHBondContact O-CG1 3.46Å; L61-I65 PolarHBondContact O-N 3.04Å; Q62-I65 PolarHBondContact O-N 3.43Å; N63-I65 VanDerWaalsContact C-N 3.34Å; N63-I65 PolarHBondContact O-N 2.88Å; I65-V67 PolarHBondContact O-N 3.33Å; I65-S68 PolarHBondContact O-N 3.35Å; I65-I69 HydrophobicContact CG2-CD1 3.73Å; I65-I69 HydrophobicContact CG2-CG1 4.35Å; I65-I69 VanDerWaalsContact O-CG1 3.28Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 3.42Å
66	Q	98.8	Very high	98.7	Very high	137 Å²	137	95.6 Å²	95.6	64%	0.64	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-43.2	179	-176	176.6	-7.7	0	0	112	Q62 N63 I69 Q70	Q62-Q66 WeakPolarHBondContact O-CB 3.47Å; Q62-Q66 PolarHBondContact O-N 3.03Å; N63-Q66 PolarHBondContact O-N 3.33Å; Q66-I69 PolarHBondContact O-N 2.98Å; Q66-Q70 PolarHBondContact O-N 3.31Å
67	V	98.7	Very high	98.7	Very high	68 Å²	68	98 Å²	98	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.8	171.2	0	0	0	0	110.9	N63 E64 I65 I69 Q70 Q71	N63-V67 WeakPolarHBondContact O-CG2 3.41Å; N63-V67 PolarHBondContact O-N 3.17Å; E64-V67 PolarHBondContact O-N 3.19Å; I65-V67 PolarHBondContact O-N 3.33Å; V67-I69 PolarHBondContact O-N 3.31Å; V67-Q70 PolarHBondContact O-N 2.95Å; V67-Q71 WeakPolarHBondContact O-CG 3.46Å; V67-Q71 PolarHBondContact O-N 2.94Å
68	S	98.7	Very high	98.7	Very high	68 Å²	68	96.5 Å²	96.5	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.9	-179.5	0	0	0	0	112.5	E64 I65 Q70 Q71 C72	E64-S68 WeakPolarHBondContact O-CB 3.48Å; E64-S68 PolarHBondContact O-N 2.89Å; I65-S68 PolarHBondContact O-N 3.35Å; S68-Q70 VanDerWaalsContact C-N 3.32Å; S68-Q70 PolarHBondContact O-N 3.41Å; S68-Q71 PolarHBondContact O-N 2.83Å; S68-C72 WeakPolarHBondContact O-CB 3.35Å; S68-C72 PolarHBondContact O-N 3.04Å
69	I	98.8	Very high	98.7	Very high	89 Å²	89	96.7 Å²	96.7	46%	0.456	49%	0.493	S	S	.	.	H	α-helix	trans	-59.5	-45.1	174	-71.4	168.2	0	0	0	110.5	I65 Q66 V67 C72 Q73	I65-I69 HydrophobicContact CG2-CD1 3.73Å; I65-I69 HydrophobicContact CG2-CG1 4.35Å; I65-I69 VanDerWaalsContact O-CG1 3.28Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 3.42Å; Q66-I69 PolarHBondContact O-N 2.98Å; V67-I69 PolarHBondContact O-N 3.31Å; I69-C72 PolarHBondContact O-N 3.32Å; I69-Q73 HydrophobicContact CG2-CG 4.46Å; I69-Q73 WeakPolarHBondContact O-CG 3.31Å; I69-Q73 PolarHBondContact O-N 3Å
70	Q	98.8	Very high	98.7	Very high	83 Å²	83	98.2 Å²	98.2	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-45	179.7	-173.4	58.7	58.8	0	0	111.6	Q66 V67 S68 C72 Q73 D74	Q66-Q70 PolarHBondContact O-N 3.31Å; V67-Q70 PolarHBondContact O-N 2.95Å; S68-Q70 VanDerWaalsContact C-N 3.32Å; S68-Q70 PolarHBondContact O-N 3.41Å; Q70-C72 PolarHBondContact O-N 3.43Å; Q70-Q73 PolarHBondContact O-N 3.01Å; Q70-D74 PolarHBondContact NE2-OD1 3.33Å; Q70-D74 PolarHBondContact O-N 2.93Å
71	Q	98.7	Very high	98.7	Very high	112 Å²	112	96.8 Å²	96.8	52%	0.523	49%	0.492	S	S	.	.	H	α-helix	trans	-59.2	-45.8	176.5	-72.8	173.5	-14.1	0	0	111.7	V67 S68 Q73 D74 E75	V67-Q71 WeakPolarHBondContact O-CG 3.46Å; V67-Q71 PolarHBondContact O-N 2.94Å; S68-Q71 PolarHBondContact O-N 2.83Å; Q71-Q73 VanDerWaalsContact C-N 3.33Å; Q71-Q73 PolarHBondContact O-N 3.38Å; Q71-D74 PolarHBondContact O-N 2.8Å; Q71-D74 VanDerWaalsContact O-N 3.17Å; Q71-E75 WeakPolarHBondContact O-CG 3.34Å; Q71-E75 PolarHBondContact O-N 3.35Å
72	C	98.7	Very high	98.7	Very high	80 Å²	80	100.5 Å²	100.5	54%	0.541	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-40.4	176.3	-179.6	0	0	0	0	112.2	S68 I69 Q70 K76	S68-C72 WeakPolarHBondContact O-CB 3.35Å; S68-C72 PolarHBondContact O-N 3.04Å; I69-C72 PolarHBondContact O-N 3.32Å; Q70-C72 PolarHBondContact O-N 3.43Å; C72-K76 VanDerWaalsContact O-CB 3.31Å; C72-K76 WeakPolarHBondContact O-CB 3.39Å; C72-K76 PolarHBondContact O-N 3.12Å
73	Q	98.8	Very high	98.7	Very high	95 Å²	95	100 Å²	100	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-37.6	174.9	-73	177.7	-6.1	0	0	112.4	I69 Q70 Q71 R77	I69-Q73 HydrophobicContact CG2-CG 4.46Å; I69-Q73 WeakPolarHBondContact O-CG 3.31Å; I69-Q73 PolarHBondContact O-N 3Å; Q70-Q73 PolarHBondContact O-N 3.01Å; Q71-Q73 VanDerWaalsContact C-N 3.33Å; Q71-Q73 PolarHBondContact O-N 3.38Å; Q73-R77 WeakPolarHBondContact O-CG 3.23Å; Q73-R77 PolarHBondContact O-N 3.46Å
74	D	98.8	Very high	98.7	Very high	69 Å²	69	99.6 Å²	99.6	37%	0.369	50%	0.499	S	S	.	.	H	α-helix	trans	-67.4	-44.9	177.3	-66.4	-17.2	0	0	0	111.4	Q70 Q71 R77 S78	Q70-D74 PolarHBondContact NE2-OD1 3.33Å; Q70-D74 PolarHBondContact O-N 2.93Å; Q71-D74 PolarHBondContact O-N 2.8Å; Q71-D74 VanDerWaalsContact O-N 3.17Å; D74-R77 PolarHBondContact O-N 2.9Å; D74-R77 IonicContact OD1-CZ 2.79Å; D74-R77 IonicContact OD1-NE 3.98Å; D74-R77 IonicContact OD1-NH2 3.58Å; D74-R77 PolarHBondContact OD1-NH2 2.96Å; D74-S78 PolarHBondContact O-N 3.44Å
75	E	98.8	Very high	98.7	Very high	131 Å²	131	98.5 Å²	98.5	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-60.9	-45.2	174.4	-73.6	178.8	-173.4	0	0	111.7	Q71 R77 S78 L79	Q71-E75 WeakPolarHBondContact O-CG 3.34Å; Q71-E75 PolarHBondContact O-N 3.35Å; E75-R77 PolarHBondContact O-N 2.84Å; E75-S78 WeakPolarHBondContact O-CB 3.42Å; E75-S78 PolarHBondContact O-N 2.91Å; E75-L79 WeakPolarHBondContact O-CG 3.46Å; E75-L79 PolarHBondContact O-N 3.27Å
76	K	98.8	Very high	98.7	Very high	120 Å²	120	96.6 Å²	96.6	52%	0.522	49%	0.492	S	S	.	.	H	α-helix	trans	-56	-50.6	174.8	178.8	-172.4	162.8	-176.9	0	110.9	C72 S78 L79 E80	C72-K76 VanDerWaalsContact O-CB 3.31Å; C72-K76 WeakPolarHBondContact O-CB 3.39Å; C72-K76 PolarHBondContact O-N 3.12Å; K76-S78 VanDerWaalsContact C-N 3.3Å; K76-S78 PolarHBondContact O-N 3.41Å; K76-L79 PolarHBondContact O-N 2.81Å; K76-E80 VanDerWaalsContact CE-CD 3.49Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 HydrophobicContact CG-CG 4.45Å; K76-E80 IonicContact NZ-OE1 3.59Å; K76-E80 WeakPolarHBondContact O-CG 3.37Å; K76-E80 PolarHBondContact O-N 3.47Å
77	R	98.7	Very high	98.7	Very high	145 Å²	145	94.3 Å²	94.3	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-40.4	178.9	-75.7	-172	-72.1	-168.2	-0.8	112	Q73 D74 E75 E80 S81	Q73-R77 WeakPolarHBondContact O-CG 3.23Å; Q73-R77 PolarHBondContact O-N 3.46Å; D74-R77 PolarHBondContact O-N 2.9Å; D74-R77 IonicContact OD1-CZ 2.79Å; D74-R77 IonicContact OD1-NE 3.98Å; D74-R77 IonicContact OD1-NH2 3.58Å; D74-R77 PolarHBondContact OD1-NH2 2.96Å; E75-R77 PolarHBondContact O-N 2.84Å; R77-E80 PolarHBondContact O-N 3.23Å; R77-S81 PolarHBondContact O-N 3.38Å
78	S	98.7	Very high	98.7	Very high	64 Å²	64	96.3 Å²	96.3	45%	0.448	49%	0.488	S	S	.	.	H	α-helix	trans	-62	-44.4	176.1	-175.7	0	0	0	0	111.9	D74 E75 K76 S81 R82	D74-S78 PolarHBondContact O-N 3.44Å; E75-S78 WeakPolarHBondContact O-CB 3.42Å; E75-S78 PolarHBondContact O-N 2.91Å; K76-S78 VanDerWaalsContact C-N 3.3Å; K76-S78 PolarHBondContact O-N 3.41Å; S78-S81 PolarHBondContact O-N 3.18Å; S78-R82 VanDerWaalsContact O-CG 3.31Å; S78-R82 WeakPolarHBondContact O-CG 3.43Å; S78-R82 PolarHBondContact O-N 3.29Å
79	L	98.8	Very high	98.7	Very high	98 Å²	98	97 Å²	97	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-43.5	177.2	-71.5	172.3	0	0	0	112.2	E75 K76 S81 R82 L83	E75-L79 WeakPolarHBondContact O-CG 3.46Å; E75-L79 PolarHBondContact O-N 3.27Å; K76-L79 PolarHBondContact O-N 2.81Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.89Å; L79-R82 PolarHBondContact O-N 3.12Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 PolarHBondContact O-N 2.92Å
80	E	98.8	Very high	98.7	Very high	103 Å²	103	97.5 Å²	97.5	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-59.5	-43.6	175.9	-74.2	174.9	157.6	0	0	111.4	K76 R77 L83 L84	K76-E80 VanDerWaalsContact CE-CD 3.49Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 HydrophobicContact CG-CG 4.45Å; K76-E80 IonicContact NZ-OE1 3.59Å; K76-E80 WeakPolarHBondContact O-CG 3.37Å; K76-E80 PolarHBondContact O-N 3.47Å; R77-E80 PolarHBondContact O-N 3.23Å; E80-L83 PolarHBondContact O-N 3.46Å; E80-L84 WeakPolarHBondContact O-CB 3.44Å; E80-L84 PolarHBondContact O-N 3.47Å
81	S	98.7	Very high	98.7	Very high	64 Å²	64	95.4 Å²	95.4	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-61	-48.6	175.6	-169.3	0	0	0	0	111.8	R77 S78 L79 L83 L84 D85	R77-S81 PolarHBondContact O-N 3.38Å; S78-S81 PolarHBondContact O-N 3.18Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.89Å; S81-L83 VanDerWaalsContact C-N 3.28Å; S81-L83 PolarHBondContact O-N 3.45Å; S81-L84 WeakPolarHBondContact O-CB 3.43Å; S81-L84 PolarHBondContact O-N 3.03Å; S81-D85 VanDerWaalsContact O-CG 3.31Å; S81-D85 PolarHBondContact O-N 3.38Å
82	R	98.7	Very high	98.6	Very high	155 Å²	155	92 Å²	92	59%	0.585	48%	0.48	S	S	*	.	H	α-helix	trans	-62.4	-37.2	179.6	-72.3	168.1	59.2	-163.9	-2.9	112.4	S78 L79 S86	S78-R82 VanDerWaalsContact O-CG 3.31Å; S78-R82 WeakPolarHBondContact O-CG 3.43Å; S78-R82 PolarHBondContact O-N 3.29Å; L79-R82 PolarHBondContact O-N 3.12Å; R82-S86 WeakPolarHBondContact O-CB 2.97Å; R82-S86 PolarHBondContact O-N 2.92Å; R82-S86 PolarHBondContact O-OG 2.92Å
83	L	98.6	Very high	98.6	Very high	109 Å²	109	92.5 Å²	92.5	57%	0.571	48%	0.477	S	S	*	.	H	α-helix	trans	-66.4	-44.5	176.4	-179.1	61.2	0	0	0	110.6	L79 E80 S81 D85 S86 I87	L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 PolarHBondContact O-N 2.92Å; E80-L83 PolarHBondContact O-N 3.46Å; S81-L83 VanDerWaalsContact C-N 3.28Å; S81-L83 PolarHBondContact O-N 3.45Å; L83-D85 PolarHBondContact O-N 2.92Å; L83-S86 WeakPolarHBondContact O-CB 3.39Å; L83-S86 PolarHBondContact O-N 2.96Å; L83-I87 HydrophobicContact CD1-CD1 4.39Å; L83-I87 HydrophobicContact CG-CD1 4.09Å; L83-I87 WeakPolarHBondContact O-CG1 3.36Å; L83-I87 PolarHBondContact O-N 2.91Å
84	L	98.7	Very high	98.5	Very high	89 Å²	89	92 Å²	92	47%	0.466	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-45.4	177.2	-175.3	63.6	0	0	0	111.7	E80 S81 S86 I87 H88	E80-L84 WeakPolarHBondContact O-CB 3.44Å; E80-L84 PolarHBondContact O-N 3.47Å; S81-L84 WeakPolarHBondContact O-CB 3.43Å; S81-L84 PolarHBondContact O-N 3.03Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 3.4Å; L84-I87 PolarHBondContact O-N 3.38Å; L84-H88 PolarHBondContact O-N 3.45Å
85	D	98.7	Very high	98.5	Very high	87 Å²	87	94.7 Å²	94.7	47%	0.465	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-39.2	176.9	-66.9	-26.9	0	0	0	111.9	S81 L83 H88 T89	S81-D85 VanDerWaalsContact O-CG 3.31Å; S81-D85 PolarHBondContact O-N 3.38Å; L83-D85 PolarHBondContact O-N 2.92Å; D85-H88 PolarHBondContact O-N 2.95Å; D85-T89 WeakPolarHBondContact O-CB 3.03Å; D85-T89 PolarHBondContact O-N 3.5Å; D85-T89 PolarHBondContact O-OG1 3.21Å
86	S	98.7	Very high	98.4	Very high	62 Å²	62	93.6 Å²	93.6	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-42.6	175.8	-59	0	0	0	0	111.5	R82 L83 L84 T89 I90	R82-S86 WeakPolarHBondContact O-CB 2.97Å; R82-S86 PolarHBondContact O-N 2.92Å; R82-S86 PolarHBondContact O-OG 2.92Å; L83-S86 WeakPolarHBondContact O-CB 3.39Å; L83-S86 PolarHBondContact O-N 2.96Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 3.4Å; S86-T89 PolarHBondContact O-N 3.49Å; S86-I90 VanDerWaalsContact O-CG1 3.29Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.39Å
87	I	98.7	Very high	98.3	Very high	90 Å²	90	95.7 Å²	95.7	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-47.1	176.1	-70.7	167.4	0	0	0	110.5	L83 L84 T89 I90 A91	L83-I87 HydrophobicContact CD1-CD1 4.39Å; L83-I87 HydrophobicContact CG-CD1 4.09Å; L83-I87 WeakPolarHBondContact O-CG1 3.36Å; L83-I87 PolarHBondContact O-N 2.91Å; L84-I87 PolarHBondContact O-N 3.38Å; I87-T89 VanDerWaalsContact C-N 3.3Å; I87-T89 PolarHBondContact O-N 2.89Å; I87-I90 PolarHBondContact O-N 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.15Å; I87-A91 PolarHBondContact O-N 2.99Å
88	H	98.5	Very high	98.1	Very high	110 Å²	110	93.7 Å²	93.7	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-59.8	-41.7	177.1	-70.1	155.2	0	0	0	112.1	L84 D85 I90 A91 A92	L84-H88 PolarHBondContact O-N 3.45Å; D85-H88 PolarHBondContact O-N 2.95Å; H88-I90 PolarHBondContact O-N 2.92Å; H88-A91 PolarHBondContact O-N 3.36Å; H88-A92 WeakPolarHBondContact O-CB 2.94Å; H88-A92 PolarHBondContact O-N 3.38Å
89	T	98.6	Very high	97.9	Very high	82 Å²	82	95.6 Å²	95.6	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-43.9	176.8	-58.5	0	0	0	0	111.5	D85 S86 I87 N93	D85-T89 WeakPolarHBondContact O-CB 3.03Å; D85-T89 PolarHBondContact O-N 3.5Å; D85-T89 PolarHBondContact O-OG1 3.21Å; S86-T89 PolarHBondContact O-N 3.49Å; I87-T89 VanDerWaalsContact C-N 3.3Å; I87-T89 PolarHBondContact O-N 2.89Å; T89-N93 WeakPolarHBondContact O-CB 3.26Å; T89-N93 VanDerWaalsContact O-CG 3.24Å; T89-N93 PolarHBondContact O-N 3.5Å; T89-N93 PolarHBondContact O-ND2 2.92Å; T89-N93 VanDerWaalsContact O-ND2 3.16Å
90	I	98.5	Very high	97.7	Very high	100 Å²	100	95.8 Å²	95.8	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-44.7	177.4	-68.7	165.1	0	0	0	110.7	S86 I87 H88 N93 L94	S86-I90 VanDerWaalsContact O-CG1 3.29Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.39Å; I87-I90 PolarHBondContact O-N 3.24Å; H88-I90 PolarHBondContact O-N 2.92Å; I90-N93 PolarHBondContact O-N 3.24Å; I90-L94 HydrophobicContact CG2-CD1 3.98Å; I90-L94 HydrophobicContact CG2-CG 4.39Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 3.34Å
91	A	98.3	Very high	97.3	Very high	39 Å²	39	97.6 Å²	97.6	32%	0.322	52%	0.519	S	S	.	.	H	α-helix	trans	-58.5	-50.1	178.5	0	0	0	0	0	111.4	I87 H88 N93 L94 E95	I87-A91 WeakPolarHBondContact O-CB 3.15Å; I87-A91 PolarHBondContact O-N 2.99Å; H88-A91 PolarHBondContact O-N 3.36Å; A91-N93 VanDerWaalsContact C-N 3.31Å; A91-N93 PolarHBondContact O-N 2.87Å; A91-L94 PolarHBondContact O-N 2.94Å; A91-L94 VanDerWaalsContact O-N 3.11Å; A91-E95 WeakPolarHBondContact O-CG 2.98Å; A91-E95 PolarHBondContact O-N 3.28Å
92	A	98	Very high	96.2	Very high	40 Å²	40	103.3 Å²	103.3	33%	0.331	55%	0.545	S	S	.	.	H	α-helix	trans	-59.7	-40.6	177.2	0	0	0	0	0	112.4	H88 L94 E95 N96	H88-A92 WeakPolarHBondContact O-CB 2.94Å; H88-A92 PolarHBondContact O-N 3.38Å; A92-L94 VanDerWaalsContact C-N 3.35Å; A92-L94 PolarHBondContact O-N 2.93Å; A92-E95 PolarHBondContact O-N 2.86Å; A92-N96 WeakPolarHBondContact O-CB 3.15Å; A92-N96 VanDerWaalsContact O-CG 3.26Å; A92-N96 PolarHBondContact O-N 3.28Å; A92-N96 PolarHBondContact O-ND2 3.26Å; A92-N96 VanDerWaalsContact O-ND2 3.13Å
93	N	98.1	Very high	96.1	Very high	90 Å²	90	100.8 Å²	100.8	48%	0.481	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-38.7	176.1	-75	-28.4	0	0	0	112.5	T89 I90 A91 R97	T89-N93 WeakPolarHBondContact O-CB 3.26Å; T89-N93 VanDerWaalsContact O-CG 3.24Å; T89-N93 PolarHBondContact O-N 3.5Å; T89-N93 PolarHBondContact O-ND2 2.92Å; T89-N93 VanDerWaalsContact O-ND2 3.16Å; I90-N93 PolarHBondContact O-N 3.24Å; A91-N93 VanDerWaalsContact C-N 3.31Å; A91-N93 PolarHBondContact O-N 2.87Å; N93-R97 VanDerWaalsContact O-CG 3.25Å; N93-R97 WeakPolarHBondContact O-CG 3.27Å; N93-R97 PolarHBondContact O-N 3.5Å; N93-R97 VanDerWaalsContact O-N 3.13Å
94	L	97.4	Very high	96	Very high	85 Å²	85	100.3 Å²	100.3	45%	0.445	54%	0.542	S	S	.	.	H	α-helix	trans	-68.7	-43.3	176.5	-70.9	173.1	0	0	0	111.4	I90 A91 A92 N96 R97 I98	I90-L94 HydrophobicContact CG2-CD1 3.98Å; I90-L94 HydrophobicContact CG2-CG 4.39Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 3.34Å; A91-L94 PolarHBondContact O-N 2.94Å; A91-L94 VanDerWaalsContact O-N 3.11Å; A92-L94 VanDerWaalsContact C-N 3.35Å; A92-L94 PolarHBondContact O-N 2.93Å; L94-N96 PolarHBondContact O-N 3.48Å; L94-R97 PolarHBondContact O-N 3.45Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 2.94Å
95	E	97.3	Very high	95.8	Very high	126 Å²	126	100.9 Å²	100.9	59%	0.589	55%	0.546	S	S	*	.	H	α-helix	trans	-57.8	-48.3	175	-73.4	171.7	-178.4	0	0	111.4	A91 A92 R97 I98 V99	A91-E95 WeakPolarHBondContact O-CG 2.98Å; A91-E95 PolarHBondContact O-N 3.28Å; A92-E95 PolarHBondContact O-N 2.86Å; E95-R97 VanDerWaalsContact C-N 3.29Å; E95-R97 PolarHBondContact O-N 3.45Å; E95-I98 PolarHBondContact O-N 2.99Å; E95-I98 VanDerWaalsContact O-N 3.14Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 3.47Å
96	N	96.7	Very high	95.7	Very high	107 Å²	107	101.8 Å²	101.8	57%	0.572	55%	0.551	S	S	*	*	H	α-helix	trans	-59	-39.7	176.7	-74.5	-32.4	0	0	0	112.4	A92 L94 S100	A92-N96 WeakPolarHBondContact O-CB 3.15Å; A92-N96 VanDerWaalsContact O-CG 3.26Å; A92-N96 PolarHBondContact O-N 3.28Å; A92-N96 PolarHBondContact O-ND2 3.26Å; A92-N96 VanDerWaalsContact O-ND2 3.13Å; L94-N96 PolarHBondContact O-N 3.48Å; N96-S100 WeakPolarHBondContact O-CB 3.33Å; N96-S100 PolarHBondContact O-N 2.91Å
97	R	96.6	Very high	95.5	Very high	165 Å²	165	104.3 Å²	104.3	62%	0.623	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-37.8	177.1	-74.1	172.8	65.8	-169	-0.1	112.4	N93 L94 E95 S100 I101	N93-R97 VanDerWaalsContact O-CG 3.25Å; N93-R97 WeakPolarHBondContact O-CG 3.27Å; N93-R97 PolarHBondContact O-N 3.5Å; N93-R97 VanDerWaalsContact O-N 3.13Å; L94-R97 PolarHBondContact O-N 3.45Å; E95-R97 VanDerWaalsContact C-N 3.29Å; E95-R97 PolarHBondContact O-N 3.45Å; R97-S100 PolarHBondContact O-N 3.5Å; R97-I101 WeakPolarHBondContact O-CD1 3.44Å; R97-I101 VanDerWaalsContact O-CG1 3.3Å; R97-I101 WeakPolarHBondContact O-CG1 3.36Å; R97-I101 PolarHBondContact O-N 3.29Å
98	I	95.9	Very high	95.2	Very high	103 Å²	103	105.2 Å²	105.2	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-66.8	-46.6	176.9	-68.9	165.1	0	0	0	110.1	L94 E95 S100 I101 N102	L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 2.94Å; E95-I98 PolarHBondContact O-N 2.99Å; E95-I98 VanDerWaalsContact O-N 3.14Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.18Å; I98-I101 PolarHBondContact O-N 2.98Å; I98-I101 VanDerWaalsContact O-N 3.17Å; I98-N102 PolarHBondContact O-N 3.31Å; I98-N102 PolarHBondContact O-ND2 3.29Å
99	V	94.4	Very high	95	Very high	104 Å²	104	104.9 Å²	104.9	63%	0.63	57%	0.568	S	S	*	*	H	α-helix	trans	-61.6	-36.2	178.2	173.7	0	0	0	0	111.5	E95 I101	E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 3.47Å; V99-I101 VanDerWaalsContact C-N 3.27Å; V99-I101 PolarHBondContact O-N 3.24Å
100	S	93.3	Very high	94.7	Very high	102 Å²	102	106.6 Å²	106.6	71%	0.713	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-15.1	178.9	-175.5	0	0	0	0	114.7	N96 R97 I98	N96-S100 WeakPolarHBondContact O-CB 3.33Å; N96-S100 PolarHBondContact O-N 2.91Å; R97-S100 PolarHBondContact O-N 3.5Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.18Å
101	I	92.1	Very high	94.4	Very high	140 Å²	140	107.2 Å²	107.2	72%	0.718	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-26.9	-179.1	-68.9	167.4	0	0	0	111.6	R97 I98 V99	R97-I101 WeakPolarHBondContact O-CD1 3.44Å; R97-I101 VanDerWaalsContact O-CG1 3.3Å; R97-I101 WeakPolarHBondContact O-CG1 3.36Å; R97-I101 PolarHBondContact O-N 3.29Å; I98-I101 PolarHBondContact O-N 2.98Å; I98-I101 VanDerWaalsContact O-N 3.17Å; V99-I101 VanDerWaalsContact C-N 3.27Å; V99-I101 PolarHBondContact O-N 3.24Å
102	N	75.3	Confident	94.1	Very high	185 Å²	185	113.4 Å²	113.4	99%	0.989	60%	0.602	S	S	*	*			trans	-88.2	0	179.3	-67.9	-34.1	0	0	0	111.9	I98	I98-N102 PolarHBondContact O-N 3.31Å; I98-N102 PolarHBondContact O-ND2 3.29Å

Retrieved 102 of 102 residues in 21.4 ms (Link to these results)

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