A0A3Q0KBK9_SCHMA Loading...

Putative 13 kDa deflagellation-inducible protein

AlphaFold DB , UniProt , Accession A0A3Q0KBK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 aa.

						>A0A3Q0KBK9_SCHMA|A0A3Q0KBK9
MSHQGAALQNYNNELVKCFEELCKRREDLQRQIQQDETERAKLQREISVLNDKLSRVNESLDKKLSTRNEYDRTIAESEAAYMKILESSQTLLTVLKREGQNIVQKATAKNVPF
					

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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	62.6	Low	86.4	Confident	203 Å²	203	108.9 Å²	108.9	100%	1	59%	0.587	S	S	*	*				0	-49	0	-78	-175.3	-97.6	0	0	113	H3 Q4 G5	M1-H3 PolarHBondContact O-N 3.2Å; M1-Q4 PolarHBondContact O-N 3.46Å; M1-G5 PolarHBondContact O-N 3.25Å
2	S	77.2	Confident	87.3	Confident	93 Å²	93	105.7 Å²	105.7	65%	0.65	57%	0.57	S	S	*	*	H	α-helix	trans	-52.5	-44.2	-179.7	55.8	0	0	0	0	114.9	Q4 G5 A6	S2-Q4 PolarHBondContact O-N 2.99Å; S2-G5 PolarHBondContact O-N 3.25Å; S2-A6 PolarHBondContact O-N 3.43Å
3	H	77.5	Confident	88	Confident	161 Å²	161	104.2 Å²	104.2	75%	0.745	56%	0.562	S	S	*	*	H	α-helix	trans	-61.8	-39.8	-179.7	-69	77.3	0	0	0	113.3	M1 A6 A7	M1-H3 PolarHBondContact O-N 3.2Å; H3-A6 PolarHBondContact O-N 3.05Å; H3-A7 PolarHBondContact O-N 3.21Å; H3-A7 VanDerWaalsContact O-N 3.12Å
4	Q	81.6	Confident	88.7	Confident	153 Å²	153	105.6 Å²	105.6	72%	0.715	56%	0.563	S	S	*	*	H	α-helix	trans	-68.1	-39.3	177.1	-73.8	173.6	-22.3	0	0	111.4	M1 S2 A7 L8	M1-Q4 PolarHBondContact O-N 3.46Å; S2-Q4 PolarHBondContact O-N 2.99Å; Q4-A7 PolarHBondContact O-N 3.43Å; Q4-L8 PolarHBondContact O-N 3.43Å
5	G	89.8	Confident	89.3	Confident	44 Å²	44	106.1 Å²	106.1	45%	0.454	57%	0.565	S	S	.	*	H	α-helix	trans	-61.8	-41.8	174.7	0	0	0	0	0	112.7	M1 S2 L8 Q9	M1-G5 PolarHBondContact O-N 3.25Å; S2-G5 PolarHBondContact O-N 3.25Å; G5-L8 PolarHBondContact O-N 3.27Å; G5-Q9 WeakPolarHBondContact O-CB 3.48Å; G5-Q9 PolarHBondContact O-N 3.03Å
6	A	91	Very high	89.9	Confident	55 Å²	55	104.4 Å²	104.4	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-42.9	176.6	0	0	0	0	0	112.7	S2 H3 Q9 N10	S2-A6 PolarHBondContact O-N 3.43Å; H3-A6 PolarHBondContact O-N 3.05Å; A6-Q9 PolarHBondContact O-N 2.92Å; A6-N10 PolarHBondContact O-N 3.33Å
7	A	92	Very high	90.3	Very high	40 Å²	40	107 Å²	107	33%	0.331	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-45.5	176.5	0	0	0	0	0	111.9	H3 Q4 Q9 N10 Y11	H3-A7 PolarHBondContact O-N 3.21Å; H3-A7 VanDerWaalsContact O-N 3.12Å; Q4-A7 PolarHBondContact O-N 3.43Å; A7-Q9 VanDerWaalsContact C-N 3.32Å; A7-Q9 PolarHBondContact O-N 3.01Å; A7-N10 PolarHBondContact O-N 3.4Å; A7-Y11 HydrophobicContact CB-CE2 4.34Å; A7-Y11 WeakPolarHBondContact O-CD2 3.13Å; A7-Y11 PolarHBondContact O-N 3.12Å
8	L	93.3	Very high	90.7	Very high	104 Å²	104	105.1 Å²	105.1	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-61.5	-40.7	176.7	-175.4	63.7	0	0	0	112.1	Q4 G5 N10 Y11 N12	Q4-L8 PolarHBondContact O-N 3.43Å; G5-L8 PolarHBondContact O-N 3.27Å; L8-N10 VanDerWaalsContact C-N 3.33Å; L8-N10 PolarHBondContact O-N 3.49Å; L8-Y11 PolarHBondContact O-N 3.39Å; L8-N12 WeakPolarHBondContact O-CB 3.48Å; L8-N12 VanDerWaalsContact O-CG 3.3Å; L8-N12 PolarHBondContact O-N 3.34Å; L8-N12 PolarHBondContact O-ND2 3.35Å
9	Q	95.2	Very high	91.1	Very high	104 Å²	104	106.9 Å²	106.9	49%	0.486	56%	0.563	S	S	.	*	H	α-helix	trans	-61.8	-41.4	176	-172	63	32.3	0	0	111.8	G5 A6 A7 N12 N13	G5-Q9 WeakPolarHBondContact O-CB 3.48Å; G5-Q9 PolarHBondContact O-N 3.03Å; A6-Q9 PolarHBondContact O-N 2.92Å; A7-Q9 VanDerWaalsContact C-N 3.32Å; A7-Q9 PolarHBondContact O-N 3.01Å; Q9-N12 PolarHBondContact O-N 3.47Å; Q9-N13 PolarHBondContact NE2-OD1 3.38Å; Q9-N13 PolarHBondContact O-N 3.43Å; Q9-N13 PolarHBondContact O-ND2 2.99Å; Q9-N13 PolarHBondContact O-OD1 3.5Å
10	N	95.3	Very high	91.5	Very high	95 Å²	95	107.8 Å²	107.8	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-63	-46.4	175.8	-72.6	-20.8	0	0	0	111.7	A6 A7 L8 N12 N13 E14	A6-N10 PolarHBondContact O-N 3.33Å; A7-N10 PolarHBondContact O-N 3.4Å; L8-N10 VanDerWaalsContact C-N 3.33Å; L8-N10 PolarHBondContact O-N 3.49Å; N10-N12 VanDerWaalsContact C-N 3.34Å; N10-N12 PolarHBondContact O-N 3.06Å; N10-N13 PolarHBondContact O-N 3.25Å; N10-E14 PolarHBondContact O-N 2.9Å
11	Y	95.2	Very high	91.8	Very high	146 Å²	146	106.9 Å²	106.9	57%	0.573	56%	0.557	S	S	*	*	H	α-helix	trans	-59.6	-43.6	175.6	-66.8	-49.8	0	0	0	112.2	A7 L8 N13 E14 L15	A7-Y11 HydrophobicContact CB-CE2 4.34Å; A7-Y11 WeakPolarHBondContact O-CD2 3.13Å; A7-Y11 PolarHBondContact O-N 3.12Å; L8-Y11 PolarHBondContact O-N 3.39Å; Y11-N13 VanDerWaalsContact C-N 3.34Å; Y11-N13 PolarHBondContact O-N 2.97Å; Y11-E14 PolarHBondContact O-N 3.39Å; Y11-L15 WeakPolarHBondContact O-CB 3.41Å; Y11-L15 VanDerWaalsContact O-CG 3.26Å; Y11-L15 WeakPolarHBondContact O-CG 3.48Å; Y11-L15 PolarHBondContact O-N 2.98Å
12	N	96.6	Very high	93.5	Very high	70 Å²	70	102.5 Å²	102.5	37%	0.374	54%	0.537	S	S	.	.	H	α-helix	trans	-60.7	-43.1	176.9	-73.6	-17.6	0	0	0	111.7	L8 Q9 N10 L15 V16	L8-N12 WeakPolarHBondContact O-CB 3.48Å; L8-N12 VanDerWaalsContact O-CG 3.3Å; L8-N12 PolarHBondContact O-N 3.34Å; L8-N12 PolarHBondContact O-ND2 3.35Å; Q9-N12 PolarHBondContact O-N 3.47Å; N10-N12 VanDerWaalsContact C-N 3.34Å; N10-N12 PolarHBondContact O-N 3.06Å; N12-L15 PolarHBondContact O-N 3.44Å; N12-V16 VanDerWaalsContact O-CG2 3.29Å; N12-V16 WeakPolarHBondContact O-CG2 3.26Å; N12-V16 PolarHBondContact O-N 3.42Å
13	N	97	Very high	94.6	Very high	87 Å²	87	99.3 Å²	99.3	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-42.1	177.7	-67.7	-19.6	0	0	0	111.9	Q9 N10 Y11 K17	Q9-N13 PolarHBondContact NE2-OD1 3.38Å; Q9-N13 PolarHBondContact O-N 3.43Å; Q9-N13 PolarHBondContact O-ND2 2.99Å; Q9-N13 PolarHBondContact O-OD1 3.5Å; N10-N13 PolarHBondContact O-N 3.25Å; Y11-N13 VanDerWaalsContact C-N 3.34Å; Y11-N13 PolarHBondContact O-N 2.97Å; N13-K17 WeakPolarHBondContact O-CB 3.38Å; N13-K17 PolarHBondContact O-N 2.91Å
14	E	97.4	Very high	95.6	Very high	124 Å²	124	98 Å²	98	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-42.6	176.4	-72.8	-179.9	-179.7	0	0	112.1	N10 Y11 K17 C18	N10-E14 PolarHBondContact O-N 2.9Å; Y11-E14 PolarHBondContact O-N 3.39Å; E14-K17 PolarHBondContact O-N 2.89Å; E14-C18 WeakPolarHBondContact O-CB 3.45Å; E14-C18 PolarHBondContact O-N 3.3Å; E14-C18 PolarHBondContact O-SG 3.33Å; E14-C18 VanDerWaalsContact O-SG 3.38Å
15	L	97.9	Very high	96.4	Very high	113 Å²	113	98 Å²	98	59%	0.592	50%	0.5	S	S	*	.	H	α-helix	trans	-61.2	-45.3	176.5	-74.3	171.4	0	0	0	111.8	Y11 N12 C18 F19	Y11-L15 WeakPolarHBondContact O-CB 3.41Å; Y11-L15 VanDerWaalsContact O-CG 3.26Å; Y11-L15 WeakPolarHBondContact O-CG 3.48Å; Y11-L15 PolarHBondContact O-N 2.98Å; N12-L15 PolarHBondContact O-N 3.44Å; L15-C18 PolarHBondContact O-N 3.22Å; L15-F19 WeakPolarHBondContact O-CB 3.29Å; L15-F19 PolarHBondContact O-N 3.04Å
16	V	98.2	Very high	96.8	Very high	79 Å²	79	102.7 Å²	102.7	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-47.4	176.6	170.1	0	0	0	0	110.3	N12 C18 F19 E20	N12-V16 VanDerWaalsContact O-CG2 3.29Å; N12-V16 WeakPolarHBondContact O-CG2 3.26Å; N12-V16 PolarHBondContact O-N 3.42Å; V16-C18 PolarHBondContact O-N 2.89Å; V16-F19 WeakPolarHBondContact O-CB 3.31Å; V16-F19 PolarHBondContact O-N 3.13Å; V16-F19 VanDerWaalsContact O-N 3.13Å; V16-E20 HydrophobicContact CG1-CG 4.41Å; V16-E20 WeakPolarHBondContact O-CG 3.48Å; V16-E20 PolarHBondContact O-N 3.38Å
17	K	97.7	Very high	97.2	Very high	148 Å²	148	104.9 Å²	104.9	64%	0.643	51%	0.505	S	S	*	.	H	α-helix	trans	-60	-44.5	178.4	-173.9	-179.7	178	-175.4	0	112.3	N13 E14 F19 E20 E21	N13-K17 WeakPolarHBondContact O-CB 3.38Å; N13-K17 PolarHBondContact O-N 2.91Å; E14-K17 PolarHBondContact O-N 2.89Å; K17-F19 VanDerWaalsContact C-N 3.33Å; K17-F19 PolarHBondContact O-N 3.27Å; K17-E20 PolarHBondContact O-N 2.91Å; K17-E21 WeakPolarHBondContact O-CB 3.4Å; K17-E21 PolarHBondContact O-N 3.3Å
18	C	98	Very high	97.5	Very high	72 Å²	72	105.3 Å²	105.3	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175.2	-75.8	0	0	0	0	111.7	E14 L15 V16 E21 L22	E14-C18 WeakPolarHBondContact O-CB 3.45Å; E14-C18 PolarHBondContact O-N 3.3Å; E14-C18 PolarHBondContact O-SG 3.33Å; E14-C18 VanDerWaalsContact O-SG 3.38Å; L15-C18 PolarHBondContact O-N 3.22Å; V16-C18 PolarHBondContact O-N 2.89Å; C18-E21 PolarHBondContact O-N 3.37Å; C18-L22 VanDerWaalsContact O-CG 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.45Å; C18-L22 PolarHBondContact O-N 3.44Å
19	F	98.1	Very high	97.7	Very high	141 Å²	141	105 Å²	105	62%	0.618	50%	0.5	S	S	*	.	H	α-helix	trans	-65.3	-42.8	178.5	-172.5	-95.1	0	0	0	112.3	L15 V16 K17 L22 C23	L15-F19 WeakPolarHBondContact O-CB 3.29Å; L15-F19 PolarHBondContact O-N 3.04Å; V16-F19 WeakPolarHBondContact O-CB 3.31Å; V16-F19 PolarHBondContact O-N 3.13Å; V16-F19 VanDerWaalsContact O-N 3.13Å; K17-F19 VanDerWaalsContact C-N 3.33Å; K17-F19 PolarHBondContact O-N 3.27Å; F19-L22 PolarHBondContact O-N 3.49Å; F19-C23 WeakPolarHBondContact CE1-SG 3.49Å; F19-C23 WeakPolarHBondContact O-CB 3.44Å; F19-C23 PolarHBondContact O-N 3.38Å; F19-C23 PolarHBondContact O-SG 2.64Å
20	E	98.2	Very high	97.9	Very high	124 Å²	124	105.1 Å²	105.1	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-43.6	174.9	-73	176.8	172.9	0	0	111.6	V16 K17 L22 C23 K24	V16-E20 HydrophobicContact CG1-CG 4.41Å; V16-E20 WeakPolarHBondContact O-CG 3.48Å; V16-E20 PolarHBondContact O-N 3.38Å; K17-E20 PolarHBondContact O-N 2.91Å; E20-L22 PolarHBondContact O-N 3.03Å; E20-C23 PolarHBondContact O-N 3.47Å; E20-K24 WeakPolarHBondContact O-CB 3.47Å; E20-K24 PolarHBondContact O-N 3.2Å
21	E	98.5	Very high	98.1	Very high	88 Å²	88	108 Å²	108	41%	0.411	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-43.4	176.7	-175.7	174.2	-178.3	0	0	111.8	K17 C18 K24 R25	K17-E21 WeakPolarHBondContact O-CB 3.4Å; K17-E21 PolarHBondContact O-N 3.3Å; C18-E21 PolarHBondContact O-N 3.37Å; E21-K24 PolarHBondContact O-N 2.98Å; E21-R25 WeakPolarHBondContact O-CB 3.48Å; E21-R25 VanDerWaalsContact O-CG 3.31Å; E21-R25 WeakPolarHBondContact O-CG 3.49Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.88Å; E21-R25 VanDerWaalsContact OE1-CZ 3.26Å; E21-R25 IonicContact OE1-NE 3.74Å; E21-R25 PolarHBondContact OE1-NE 3.41Å; E21-R25 IonicContact OE1-NH2 3.59Å; E21-R25 PolarHBondContact OE1-NH2 2.99Å
22	L	98.6	Very high	98.2	Very high	112 Å²	112	106.2 Å²	106.2	59%	0.586	50%	0.501	S	S	*	.	H	α-helix	trans	-64.1	-42.2	175.7	-71.6	173.9	0	0	0	112.1	C18 F19 E20 K24 R25 R26	C18-L22 VanDerWaalsContact O-CG 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.45Å; C18-L22 PolarHBondContact O-N 3.44Å; F19-L22 PolarHBondContact O-N 3.49Å; E20-L22 PolarHBondContact O-N 3.03Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.38Å; L22-R25 PolarHBondContact O-N 2.93Å; L22-R26 WeakPolarHBondContact O-CB 3.5Å; L22-R26 PolarHBondContact O-N 2.95Å
23	C	98.6	Very high	98.3	Very high	26 Å²	26	105.9 Å²	105.9	18%	0.176	50%	0.499	C	S	.	.	H	α-helix	trans	-59.1	-45.1	175.1	-74	0	0	0	0	111.6	F19 E20 R26 E27	F19-C23 WeakPolarHBondContact CE1-SG 3.49Å; F19-C23 WeakPolarHBondContact O-CB 3.44Å; F19-C23 PolarHBondContact O-N 3.38Å; F19-C23 PolarHBondContact O-SG 2.64Å; E20-C23 PolarHBondContact O-N 3.47Å; C23-R26 WeakPolarHBondContact O-CB 3.31Å; C23-R26 PolarHBondContact O-N 2.92Å; C23-E27 WeakPolarHBondContact O-CG 3.41Å; C23-E27 PolarHBondContact O-N 3.37Å
24	K	98.6	Very high	98.4	Very high	133 Å²	133	106.5 Å²	106.5	58%	0.578	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-47.8	177.2	-175.9	178.7	178.5	-179.7	0	112	E20 E21 L22 R26 E27 D28	E20-K24 WeakPolarHBondContact O-CB 3.47Å; E20-K24 PolarHBondContact O-N 3.2Å; E21-K24 PolarHBondContact O-N 2.98Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.38Å; K24-R26 VanDerWaalsContact C-N 3.29Å; K24-R26 PolarHBondContact O-N 3.32Å; K24-E27 PolarHBondContact O-N 3.46Å; K24-E27 VanDerWaalsContact O-N 3.11Å; K24-D28 VanDerWaalsContact O-CG 3.28Å; K24-D28 PolarHBondContact O-N 3.11Å
25	R	98.6	Very high	98.5	Very high	153 Å²	153	106.9 Å²	106.9	58%	0.577	50%	0.5	S	S	*	.	H	α-helix	trans	-59.5	-39.9	177.7	-72.9	176	-178	-156.6	3.1	111.9	E21 L22 D28 L29	E21-R25 WeakPolarHBondContact O-CB 3.48Å; E21-R25 VanDerWaalsContact O-CG 3.31Å; E21-R25 WeakPolarHBondContact O-CG 3.49Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.88Å; E21-R25 VanDerWaalsContact OE1-CZ 3.26Å; E21-R25 IonicContact OE1-NE 3.74Å; E21-R25 PolarHBondContact OE1-NE 3.41Å; E21-R25 IonicContact OE1-NH2 3.59Å; E21-R25 PolarHBondContact OE1-NH2 2.99Å; L22-R25 PolarHBondContact O-N 2.93Å; R25-D28 PolarHBondContact O-N 3.35Å; R25-L29 WeakPolarHBondContact O-CB 3.42Å; R25-L29 PolarHBondContact O-N 2.86Å
26	R	98.7	Very high	98.5	Very high	142 Å²	142	106.9 Å²	106.9	54%	0.536	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-45.2	173.8	178.5	-153.8	65.6	-145.9	-4.2	111.3	L22 C23 K24 L29 Q30	L22-R26 WeakPolarHBondContact O-CB 3.5Å; L22-R26 PolarHBondContact O-N 2.95Å; C23-R26 WeakPolarHBondContact O-CB 3.31Å; C23-R26 PolarHBondContact O-N 2.92Å; K24-R26 VanDerWaalsContact C-N 3.29Å; K24-R26 PolarHBondContact O-N 3.32Å; R26-L29 PolarHBondContact O-N 3.39Å; R26-Q30 WeakPolarHBondContact O-CB 3.4Å; R26-Q30 PolarHBondContact O-N 3.12Å
27	E	98.7	Very high	98.6	Very high	102 Å²	102	107 Å²	107	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-65.4	-40	178.4	-75.4	167.7	-161.5	0	0	112.6	C23 K24 Q30 R31	C23-E27 WeakPolarHBondContact O-CG 3.41Å; C23-E27 PolarHBondContact O-N 3.37Å; K24-E27 PolarHBondContact O-N 3.46Å; K24-E27 VanDerWaalsContact O-N 3.11Å; E27-Q30 PolarHBondContact O-N 3.33Å; E27-R31 WeakPolarHBondContact O-CG 3.37Å; E27-R31 PolarHBondContact O-N 2.89Å
28	D	98.7	Very high	98.6	Very high	49 Å²	49	104 Å²	104	26%	0.262	49%	0.491	S	S	.	.	H	α-helix	trans	-61.6	-45.5	174.6	-67.1	-10.5	0	0	0	111	K24 R25 R31 Q32	K24-D28 VanDerWaalsContact O-CG 3.28Å; K24-D28 PolarHBondContact O-N 3.11Å; R25-D28 PolarHBondContact O-N 3.35Å; D28-R31 PolarHBondContact O-N 2.97Å; D28-R31 IonicContact OD1-CZ 3.26Å; D28-R31 IonicContact OD1-NE 3.2Å; D28-R31 IonicContact OD1-NH2 2.64Å; D28-R31 PolarHBondContact OD1-NH2 3.14Å; D28-Q32 WeakPolarHBondContact O-CG 3.4Å; D28-Q32 PolarHBondContact O-N 3.02Å; D28-Q32 VanDerWaalsContact O-N 3.14Å
29	L	98.6	Very high	98.6	Very high	96 Å²	96	104.7 Å²	104.7	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-43	175.2	-179.6	61.7	0	0	0	111.7	R25 R26 R31 Q32 I33	R25-L29 WeakPolarHBondContact O-CB 3.42Å; R25-L29 PolarHBondContact O-N 2.86Å; R26-L29 PolarHBondContact O-N 3.39Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 2.61Å; L29-Q32 PolarHBondContact O-N 2.9Å; L29-Q32 VanDerWaalsContact O-N 3.12Å; L29-I33 HydrophobicContact CD1-CD1 4.42Å; L29-I33 HydrophobicContact CD1-CG1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.01Å; L29-I33 HydrophobicContact CG-CG1 4.48Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 3.31Å
30	Q	98.7	Very high	98.7	Very high	107 Å²	107	104.9 Å²	104.9	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-37.5	177.7	-173.7	61.5	44.8	0	0	111.8	R26 E27 Q34	R26-Q30 WeakPolarHBondContact O-CB 3.4Å; R26-Q30 PolarHBondContact O-N 3.12Å; E27-Q30 PolarHBondContact O-N 3.33Å; Q30-Q34 PolarHBondContact O-N 3.13Å
31	R	98.7	Very high	98.7	Very high	156 Å²	156	100.5 Å²	100.5	59%	0.589	47%	0.468	S	S	*	.	H	α-helix	trans	-65.7	-41	174.7	-72	-173.4	-68.9	148.7	-8	112.1	E27 D28 L29 Q34 Q35	E27-R31 WeakPolarHBondContact O-CG 3.37Å; E27-R31 PolarHBondContact O-N 2.89Å; D28-R31 PolarHBondContact O-N 2.97Å; D28-R31 IonicContact OD1-CZ 3.26Å; D28-R31 IonicContact OD1-NE 3.2Å; D28-R31 IonicContact OD1-NH2 2.64Å; D28-R31 PolarHBondContact OD1-NH2 3.14Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 2.61Å; R31-Q34 PolarHBondContact O-N 3.16Å; R31-Q35 WeakPolarHBondContact O-CG 3.33Å; R31-Q35 PolarHBondContact O-N 3.07Å; R31-Q35 VanDerWaalsContact O-N 3.13Å
32	Q	98.7	Very high	98.7	Very high	108 Å²	108	100.9 Å²	100.9	51%	0.505	47%	0.469	S	S	.	.	H	α-helix	trans	-64.6	-45.2	176	-68.7	173.9	29.5	0	0	111.4	D28 L29 Q34 Q35 D36	D28-Q32 WeakPolarHBondContact O-CG 3.4Å; D28-Q32 PolarHBondContact O-N 3.02Å; D28-Q32 VanDerWaalsContact O-N 3.14Å; L29-Q32 PolarHBondContact O-N 2.9Å; L29-Q32 VanDerWaalsContact O-N 3.12Å; Q32-Q34 VanDerWaalsContact C-N 3.28Å; Q32-Q34 PolarHBondContact O-N 2.77Å; Q32-Q35 WeakPolarHBondContact O-CB 3.45Å; Q32-Q35 PolarHBondContact O-N 3.29Å; Q32-Q35 VanDerWaalsContact O-N 3.09Å; Q32-D36 PolarHBondContact O-N 2.99Å
33	I	98.8	Very high	98.7	Very high	64 Å²	64	99.4 Å²	99.4	33%	0.328	46%	0.461	S	S	.	.	H	α-helix	trans	-54.9	-46.2	175	-69.2	167.9	0	0	0	110.5	L29 Q35 D36 E37	L29-I33 HydrophobicContact CD1-CD1 4.42Å; L29-I33 HydrophobicContact CD1-CG1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.01Å; L29-I33 HydrophobicContact CG-CG1 4.48Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 3.31Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 2.88Å; I33-D36 PolarHBondContact O-N 3.37Å; I33-E37 HydrophobicContact CG2-CG 4.31Å; I33-E37 WeakPolarHBondContact O-CB 3.41Å; I33-E37 WeakPolarHBondContact O-CG 3.23Å; I33-E37 PolarHBondContact O-N 3.09Å
34	Q	98.8	Very high	98.7	Very high	100 Å²	100	103.8 Å²	103.8	47%	0.467	48%	0.478	S	S	.	.	H	α-helix	trans	-64	-35.7	-179.7	-171.4	61.2	76.7	0	0	113	Q30 R31 Q32 T38	Q30-Q34 PolarHBondContact O-N 3.13Å; R31-Q34 PolarHBondContact O-N 3.16Å; Q32-Q34 VanDerWaalsContact C-N 3.28Å; Q32-Q34 PolarHBondContact O-N 2.77Å; Q34-T38 PolarHBondContact O-N 3.31Å; Q34-T38 VanDerWaalsContact O-N 3.16Å; Q34-T38 PolarHBondContact O-OG1 3.38Å
35	Q	98.8	Very high	98.7	Very high	131 Å²	131	106 Å²	106	61%	0.612	48%	0.483	S	S	*	.	H	α-helix	trans	-65.9	-48.8	175.1	-71.9	173.2	-4	0	0	110.7	R31 Q32 I33 E37 T38 E39	R31-Q35 WeakPolarHBondContact O-CG 3.33Å; R31-Q35 PolarHBondContact O-N 3.07Å; R31-Q35 VanDerWaalsContact O-N 3.13Å; Q32-Q35 WeakPolarHBondContact O-CB 3.45Å; Q32-Q35 PolarHBondContact O-N 3.29Å; Q32-Q35 VanDerWaalsContact O-N 3.09Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 2.88Å; Q35-E37 VanDerWaalsContact C-N 3.34Å; Q35-E37 PolarHBondContact O-N 3.37Å; Q35-T38 WeakPolarHBondContact O-CB 3.37Å; Q35-T38 PolarHBondContact O-N 3.31Å; Q35-T38 VanDerWaalsContact O-N 3.14Å; Q35-E39 PolarHBondContact O-N 3.4Å
36	D	98.8	Very high	98.7	Very high	114 Å²	114	102.9 Å²	102.9	61%	0.61	48%	0.475	S	S	*	.	H	α-helix	trans	-63.1	-39.5	179.3	-71.7	-11.1	0	0	0	112	Q32 I33 T38 E39 R40	Q32-D36 PolarHBondContact O-N 2.99Å; I33-D36 PolarHBondContact O-N 3.37Å; D36-T38 VanDerWaalsContact C-N 3.3Å; D36-T38 PolarHBondContact O-N 2.82Å; D36-E39 PolarHBondContact O-N 2.96Å; D36-R40 VanDerWaalsContact O-CB 3.23Å; D36-R40 WeakPolarHBondContact O-CB 3.43Å; D36-R40 PolarHBondContact O-N 3.43Å
37	E	98.8	Very high	98.7	Very high	81 Å²	81	100.9 Å²	100.9	38%	0.379	47%	0.474	S	S	.	.	H	α-helix	trans	-62.4	-38.6	174.7	-76.7	-177.2	154.5	0	0	112.4	I33 Q35 A41	I33-E37 HydrophobicContact CG2-CG 4.31Å; I33-E37 WeakPolarHBondContact O-CB 3.41Å; I33-E37 WeakPolarHBondContact O-CG 3.23Å; I33-E37 PolarHBondContact O-N 3.09Å; Q35-E37 VanDerWaalsContact C-N 3.34Å; Q35-E37 PolarHBondContact O-N 3.37Å; E37-A41 WeakPolarHBondContact O-CB 3.42Å; E37-A41 PolarHBondContact O-N 3.22Å
38	T	98.7	Very high	98.7	Very high	86 Å²	86	99.2 Å²	99.2	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-67.7	-45.7	177.7	-57	0	0	0	0	110.8	Q34 Q35 D36 A41 K42	Q34-T38 PolarHBondContact O-N 3.31Å; Q34-T38 VanDerWaalsContact O-N 3.16Å; Q34-T38 PolarHBondContact O-OG1 3.38Å; Q35-T38 WeakPolarHBondContact O-CB 3.37Å; Q35-T38 PolarHBondContact O-N 3.31Å; Q35-T38 VanDerWaalsContact O-N 3.14Å; D36-T38 VanDerWaalsContact C-N 3.3Å; D36-T38 PolarHBondContact O-N 2.82Å; T38-A41 PolarHBondContact O-N 3.11Å; T38-K42 PolarHBondContact O-N 3.24Å
39	E	98.7	Very high	98.7	Very high	86 Å²	86	100.4 Å²	100.4	40%	0.402	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-41.6	177.6	-171.3	60.2	-160.2	0	0	111.1	Q35 D36 A41 K42 L43	Q35-E39 PolarHBondContact O-N 3.4Å; D36-E39 PolarHBondContact O-N 2.96Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.93Å; E39-K42 WeakPolarHBondContact O-CB 3.43Å; E39-K42 PolarHBondContact O-N 3.44Å; E39-K42 VanDerWaalsContact O-N 3.14Å; E39-K42 IonicContact OE1-NZ 3.62Å; E39-K42 IonicContact OE2-NZ 2.61Å; E39-L43 HydrophobicContact CG-CD1 4.23Å; E39-L43 HydrophobicContact CG-CG 4.46Å; E39-L43 WeakPolarHBondContact O-CG 3.48Å; E39-L43 PolarHBondContact O-N 3.14Å
40	R	98.7	Very high	98.7	Very high	145 Å²	145	100.9 Å²	100.9	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-56.1	-46.4	173	-176.5	-172.4	68.8	179.3	-4.8	111.4	D36 K42 L43 Q44	D36-R40 VanDerWaalsContact O-CB 3.23Å; D36-R40 WeakPolarHBondContact O-CB 3.43Å; D36-R40 PolarHBondContact O-N 3.43Å; R40-K42 VanDerWaalsContact C-N 3.31Å; R40-K42 PolarHBondContact O-N 2.94Å; R40-L43 PolarHBondContact O-N 3.02Å; R40-Q44 WeakPolarHBondContact O-CB 3.33Å; R40-Q44 VanDerWaalsContact O-CG 3.3Å; R40-Q44 WeakPolarHBondContact O-CG 3.38Å; R40-Q44 PolarHBondContact O-N 3.45Å
41	A	98.8	Very high	98.7	Very high	31 Å²	31	100.1 Å²	100.1	26%	0.256	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-36.6	179.1	0	0	0	0	0	112.2	E37 T38 E39 R45	E37-A41 WeakPolarHBondContact O-CB 3.42Å; E37-A41 PolarHBondContact O-N 3.22Å; T38-A41 PolarHBondContact O-N 3.11Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.93Å; A41-R45 WeakPolarHBondContact O-CG 3.45Å; A41-R45 PolarHBondContact O-N 3.35Å
42	K	98.7	Very high	98.7	Very high	97 Å²	97	97.1 Å²	97.1	42%	0.422	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-49.9	174.3	-179.4	-173.3	163.5	-149.7	0	111.4	T38 E39 R40 Q44 R45 E46	T38-K42 PolarHBondContact O-N 3.24Å; E39-K42 WeakPolarHBondContact O-CB 3.43Å; E39-K42 PolarHBondContact O-N 3.44Å; E39-K42 VanDerWaalsContact O-N 3.14Å; E39-K42 IonicContact OE1-NZ 3.62Å; E39-K42 IonicContact OE2-NZ 2.61Å; R40-K42 VanDerWaalsContact C-N 3.31Å; R40-K42 PolarHBondContact O-N 2.94Å; K42-Q44 VanDerWaalsContact C-N 3.29Å; K42-Q44 PolarHBondContact O-N 2.87Å; K42-R45 WeakPolarHBondContact O-CB 3.43Å; K42-R45 PolarHBondContact O-N 3.2Å; K42-R45 VanDerWaalsContact O-N 3.08Å; K42-E46 VanDerWaalsContact CE-OE1 3.23Å; K42-E46 WeakPolarHBondContact CE-OE1 3.37Å; K42-E46 PolarHBondContact O-N 3.49Å
43	L	98.8	Very high	98.7	Very high	81 Å²	81	97.9 Å²	97.9	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-59.3	-39.5	177.2	-69.8	172.1	0	0	0	111.9	E39 R40 R45 E46 I47	E39-L43 HydrophobicContact CG-CD1 4.23Å; E39-L43 HydrophobicContact CG-CG 4.46Å; E39-L43 WeakPolarHBondContact O-CG 3.48Å; E39-L43 PolarHBondContact O-N 3.14Å; R40-L43 PolarHBondContact O-N 3.02Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 3.42Å; L43-E46 PolarHBondContact O-N 2.91Å; L43-I47 WeakPolarHBondContact O-CG1 3.3Å; L43-I47 PolarHBondContact O-N 3.38Å
44	Q	98.7	Very high	98.7	Very high	117 Å²	117	99.3 Å²	99.3	55%	0.547	49%	0.489	S	S	.	.	H	α-helix	trans	-60.6	-40.4	174.7	-77.5	175.1	-21.5	0	0	112.7	R40 K42 S48	R40-Q44 WeakPolarHBondContact O-CB 3.33Å; R40-Q44 VanDerWaalsContact O-CG 3.3Å; R40-Q44 WeakPolarHBondContact O-CG 3.38Å; R40-Q44 PolarHBondContact O-N 3.45Å; K42-Q44 VanDerWaalsContact C-N 3.29Å; K42-Q44 PolarHBondContact O-N 2.87Å; Q44-S48 PolarHBondContact O-N 3.14Å; Q44-S48 VanDerWaalsContact O-N 3.11Å
45	R	98.6	Very high	98.7	Very high	180 Å²	180	97.3 Å²	97.3	68%	0.679	49%	0.487	S	S	*	.	H	α-helix	trans	-66.5	-42.3	174.9	-68.8	175	-169.4	144.5	2.9	111.6	A41 K42 L43 I47 S48 V49	A41-R45 WeakPolarHBondContact O-CG 3.45Å; A41-R45 PolarHBondContact O-N 3.35Å; K42-R45 WeakPolarHBondContact O-CB 3.43Å; K42-R45 PolarHBondContact O-N 3.2Å; K42-R45 VanDerWaalsContact O-N 3.08Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 3.42Å; R45-I47 VanDerWaalsContact C-N 3.35Å; R45-I47 PolarHBondContact O-N 3.43Å; R45-S48 WeakPolarHBondContact O-CB 3.34Å; R45-S48 PolarHBondContact O-N 3Å; R45-V49 WeakPolarHBondContact O-CG2 3.39Å; R45-V49 PolarHBondContact O-N 3.02Å
46	E	98.7	Very high	98.7	Very high	88 Å²	88	99.8 Å²	99.8	41%	0.411	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177.3	-70.9	178.5	-166.1	0	0	111.8	K42 L43 S48 V49 L50	K42-E46 VanDerWaalsContact CE-OE1 3.23Å; K42-E46 WeakPolarHBondContact CE-OE1 3.37Å; K42-E46 PolarHBondContact O-N 3.49Å; L43-E46 PolarHBondContact O-N 2.91Å; E46-S48 VanDerWaalsContact C-N 3.32Å; E46-S48 PolarHBondContact O-N 3.08Å; E46-V49 PolarHBondContact O-N 3.04Å; E46-L50 WeakPolarHBondContact O-CB 3.45Å; E46-L50 WeakPolarHBondContact O-CG 3.42Å; E46-L50 PolarHBondContact O-N 2.88Å
47	I	98.7	Very high	98.7	Very high	99 Å²	99	98.7 Å²	98.7	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-57.5	-45.7	173.2	-71.3	167.1	0	0	0	110.8	L43 R45 V49 L50 N51	L43-I47 WeakPolarHBondContact O-CG1 3.3Å; L43-I47 PolarHBondContact O-N 3.38Å; R45-I47 VanDerWaalsContact C-N 3.35Å; R45-I47 PolarHBondContact O-N 3.43Å; I47-V49 PolarHBondContact O-N 3.49Å; I47-L50 PolarHBondContact O-N 3.44Å; I47-N51 WeakPolarHBondContact O-CB 3.23Å; I47-N51 PolarHBondContact O-N 3.28Å; I47-N51 PolarHBondContact O-ND2 3.09Å
48	S	98.6	Very high	98.7	Very high	67 Å²	67	98.3 Å²	98.3	47%	0.469	49%	0.488	S	S	.	.	H	α-helix	trans	-58.2	-47.4	177.2	-168	0	0	0	0	111.7	Q44 R45 E46 L50 N51 D52	Q44-S48 PolarHBondContact O-N 3.14Å; Q44-S48 VanDerWaalsContact O-N 3.11Å; R45-S48 WeakPolarHBondContact O-CB 3.34Å; R45-S48 PolarHBondContact O-N 3Å; E46-S48 VanDerWaalsContact C-N 3.32Å; E46-S48 PolarHBondContact O-N 3.08Å; S48-L50 VanDerWaalsContact C-N 3.34Å; S48-L50 PolarHBondContact O-N 3.42Å; S48-N51 PolarHBondContact O-N 2.89Å; S48-D52 PolarHBondContact O-N 3.44Å
49	V	98.7	Very high	98.7	Very high	75 Å²	75	99 Å²	99	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-39.8	179.2	171.8	0	0	0	0	111.7	R45 E46 I47 D52 K53	R45-V49 WeakPolarHBondContact O-CG2 3.39Å; R45-V49 PolarHBondContact O-N 3.02Å; E46-V49 PolarHBondContact O-N 3.04Å; I47-V49 PolarHBondContact O-N 3.49Å; V49-D52 PolarHBondContact O-N 3.24Å; V49-K53 HydrophobicContact CG1-CD 4.43Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 3.31Å; V49-K53 VanDerWaalsContact O-N 3.09Å
50	L	98.7	Very high	98.7	Very high	106 Å²	106	97.3 Å²	97.3	56%	0.555	48%	0.483	S	S	*	.	H	α-helix	trans	-68.4	-38.8	177.8	-72.4	171.7	0	0	0	111.9	E46 I47 S48 K53 L54	E46-L50 WeakPolarHBondContact O-CB 3.45Å; E46-L50 WeakPolarHBondContact O-CG 3.42Å; E46-L50 PolarHBondContact O-N 2.88Å; I47-L50 PolarHBondContact O-N 3.44Å; S48-L50 VanDerWaalsContact C-N 3.34Å; S48-L50 PolarHBondContact O-N 3.42Å; L50-K53 PolarHBondContact O-N 3.34Å; L50-L54 WeakPolarHBondContact O-CB 3.35Å; L50-L54 PolarHBondContact O-N 2.97Å
51	N	98.7	Very high	98.7	Very high	91 Å²	91	94.5 Å²	94.5	49%	0.487	48%	0.478	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.4	-76.9	-23.4	0	0	0	111.8	I47 S48 K53 L54 S55	I47-N51 WeakPolarHBondContact O-CB 3.23Å; I47-N51 PolarHBondContact O-N 3.28Å; I47-N51 PolarHBondContact O-ND2 3.09Å; S48-N51 PolarHBondContact O-N 2.89Å; N51-K53 VanDerWaalsContact C-N 3.33Å; N51-K53 PolarHBondContact O-N 3.41Å; N51-L54 PolarHBondContact O-N 3.25Å; N51-S55 PolarHBondContact O-N 2.89Å
52	D	98.7	Very high	98.7	Very high	92 Å²	92	98 Å²	98	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-42.5	175.4	-70.6	-17.9	0	0	0	111.6	S48 V49 S55 R56	S48-D52 PolarHBondContact O-N 3.44Å; V49-D52 PolarHBondContact O-N 3.24Å; D52-S55 PolarHBondContact O-N 2.91Å; D52-R56 WeakPolarHBondContact O-CG 3.45Å; D52-R56 PolarHBondContact O-N 3.45Å; D52-R56 VanDerWaalsContact O-N 3.11Å
53	K	98.7	Very high	98.7	Very high	124 Å²	124	100.1 Å²	100.1	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-44	175.2	-74.6	176	-179	179	0	111.4	V49 L50 N51 R56 V57	V49-K53 HydrophobicContact CG1-CD 4.43Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 3.31Å; V49-K53 VanDerWaalsContact O-N 3.09Å; L50-K53 PolarHBondContact O-N 3.34Å; N51-K53 VanDerWaalsContact C-N 3.33Å; N51-K53 PolarHBondContact O-N 3.41Å; K53-R56 PolarHBondContact O-N 3.3Å; K53-V57 WeakPolarHBondContact O-CG2 3.4Å; K53-V57 PolarHBondContact O-N 3.11Å
54	L	98.8	Very high	98.7	Very high	94 Å²	94	102.8 Å²	102.8	49%	0.492	51%	0.51	S	S	.	.	H	α-helix	trans	-60.6	-45.6	177.3	179.5	61	0	0	0	111.2	L50 N51 R56 V57 N58	L50-L54 WeakPolarHBondContact O-CB 3.35Å; L50-L54 PolarHBondContact O-N 2.97Å; N51-L54 PolarHBondContact O-N 3.25Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.04Å; L54-V57 PolarHBondContact O-N 3.4Å; L54-N58 PolarHBondContact O-N 3.42Å
55	S	98.7	Very high	98.7	Very high	58 Å²	58	100.8 Å²	100.8	41%	0.406	50%	0.503	S	S	.	.	H	α-helix	trans	-56.8	-47.3	176.6	-166.6	0	0	0	0	111.7	N51 D52 V57 N58 E59	N51-S55 PolarHBondContact O-N 2.89Å; D52-S55 PolarHBondContact O-N 2.91Å; S55-V57 VanDerWaalsContact C-N 3.33Å; S55-V57 PolarHBondContact O-N 3.19Å; S55-N58 PolarHBondContact O-N 3.25Å; S55-E59 WeakPolarHBondContact O-CG 3.5Å; S55-E59 PolarHBondContact O-N 2.86Å
56	R	98.7	Very high	98.8	Very high	184 Å²	184	95 Å²	95	69%	0.694	49%	0.49	S	S	*	.	H	α-helix	trans	-61.9	-39.7	178.1	-68.9	174.6	-172.7	-148.8	2.6	112.8	D52 K53 L54 S60	D52-R56 WeakPolarHBondContact O-CG 3.45Å; D52-R56 PolarHBondContact O-N 3.45Å; D52-R56 VanDerWaalsContact O-N 3.11Å; K53-R56 PolarHBondContact O-N 3.3Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.04Å; R56-S60 WeakPolarHBondContact O-CB 3.29Å; R56-S60 PolarHBondContact O-N 3.06Å
57	V	98.8	Very high	98.8	Very high	91 Å²	91	93.7 Å²	93.7	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-66.6	-43.5	177.2	170.7	0	0	0	0	110.6	K53 L54 S55 S60 L61	K53-V57 WeakPolarHBondContact O-CG2 3.4Å; K53-V57 PolarHBondContact O-N 3.11Å; L54-V57 PolarHBondContact O-N 3.4Å; S55-V57 VanDerWaalsContact C-N 3.33Å; S55-V57 PolarHBondContact O-N 3.19Å; V57-S60 WeakPolarHBondContact O-CB 3.4Å; V57-S60 PolarHBondContact O-N 3.09Å; V57-L61 WeakPolarHBondContact O-CB 3.47Å; V57-L61 PolarHBondContact O-N 2.87Å
58	N	98.8	Very high	98.8	Very high	73 Å²	73	94.9 Å²	94.9	39%	0.39	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-49.3	177.3	-71.8	-16.5	0	0	0	111.4	L54 S55 S60 L61 D62	L54-N58 PolarHBondContact O-N 3.42Å; S55-N58 PolarHBondContact O-N 3.25Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 PolarHBondContact O-N 3.29Å; N58-L61 WeakPolarHBondContact O-CB 3.34Å; N58-L61 PolarHBondContact O-N 2.83Å; N58-L61 VanDerWaalsContact O-N 3.09Å; N58-D62 PolarHBondContact O-N 3.24Å
59	E	98.7	Very high	98.8	Very high	101 Å²	101	95.6 Å²	95.6	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-58.3	-40.1	175.9	-71.8	172.1	-149	0	0	112.6	S55 K63	S55-E59 WeakPolarHBondContact O-CG 3.5Å; S55-E59 PolarHBondContact O-N 2.86Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.96Å
60	S	98.8	Very high	98.8	Very high	49 Å²	49	97.2 Å²	97.2	34%	0.343	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-41.1	176.4	-172.9	0	0	0	0	111.8	R56 V57 N58 K64	R56-S60 WeakPolarHBondContact O-CB 3.29Å; R56-S60 PolarHBondContact O-N 3.06Å; V57-S60 WeakPolarHBondContact O-CB 3.4Å; V57-S60 PolarHBondContact O-N 3.09Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 PolarHBondContact O-N 3.29Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 3.37Å; S60-K64 PolarHBondContact O-N 3.45Å; S60-K64 WeakPolarHBondContact OG-CE 3.5Å; S60-K64 PolarHBondContact OG-NZ 3.49Å
61	L	98.8	Very high	98.8	Very high	86 Å²	86	99.5 Å²	99.5	45%	0.45	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-46.9	179.3	-179.6	60.6	0	0	0	110.9	V57 N58 K63 K64 L65	V57-L61 WeakPolarHBondContact O-CB 3.47Å; V57-L61 PolarHBondContact O-N 2.87Å; N58-L61 WeakPolarHBondContact O-CB 3.34Å; N58-L61 PolarHBondContact O-N 2.83Å; N58-L61 VanDerWaalsContact O-N 3.09Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 3.33Å; L61-K64 PolarHBondContact O-N 3.47Å; L61-K64 VanDerWaalsContact O-N 3.14Å; L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.29Å; L61-L65 HydrophobicContact CG-CD1 4.07Å; L61-L65 HydrophobicContact CG-CG 4.45Å; L61-L65 WeakPolarHBondContact O-CG 3.42Å; L61-L65 PolarHBondContact O-N 3.4Å
62	D	98.9	Very high	98.8	Very high	105 Å²	105	98.6 Å²	98.6	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-59.3	-44.2	178.7	-70.4	-18.9	0	0	0	111.4	N58 K64 L65 S66	N58-D62 PolarHBondContact O-N 3.24Å; D62-K64 PolarHBondContact O-N 3.28Å; D62-L65 PolarHBondContact O-N 3.19Å; D62-S66 PolarHBondContact O-N 3.13Å
63	K	98.8	Very high	98.8	Very high	142 Å²	142	102.3 Å²	102.3	62%	0.617	49%	0.492	S	S	*	.	H	α-helix	trans	-59.6	-47.7	174.2	-73	173.2	-174.9	173.7	0	111.7	E59 L61 L65 S66 T67	E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.96Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 3.33Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 3.5Å; K63-S66 WeakPolarHBondContact O-CB 3.28Å; K63-S66 PolarHBondContact O-N 2.98Å; K63-T67 PolarHBondContact O-N 2.85Å; K63-T67 PolarHBondContact O-OG1 3.3Å; K63-T67 VanDerWaalsContact O-OG1 3.13Å
64	K	98.8	Very high	98.8	Very high	137 Å²	137	100.1 Å²	100.1	60%	0.596	49%	0.489	S	S	*	.	H	α-helix	trans	-62.2	-40.6	178.6	-73.5	169.1	-175.7	168.6	0	112	S60 L61 D62 T67 R68	S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 3.37Å; S60-K64 PolarHBondContact O-N 3.45Å; S60-K64 WeakPolarHBondContact OG-CE 3.5Å; S60-K64 PolarHBondContact OG-NZ 3.49Å; L61-K64 PolarHBondContact O-N 3.47Å; L61-K64 VanDerWaalsContact O-N 3.14Å; D62-K64 PolarHBondContact O-N 3.28Å; K64-T67 PolarHBondContact O-N 3.36Å; K64-R68 VanDerWaalsContact O-CB 3.3Å; K64-R68 WeakPolarHBondContact O-CB 3.46Å; K64-R68 PolarHBondContact O-N 3.37Å
65	L	98.8	Very high	98.8	Very high	75 Å²	75	99.9 Å²	99.9	39%	0.393	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-43.1	176.7	-73.4	172.3	0	0	0	111.3	L61 D62 K63 R68 N69	L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.29Å; L61-L65 HydrophobicContact CG-CD1 4.07Å; L61-L65 HydrophobicContact CG-CG 4.45Å; L61-L65 WeakPolarHBondContact O-CG 3.42Å; L61-L65 PolarHBondContact O-N 3.4Å; D62-L65 PolarHBondContact O-N 3.19Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 3.5Å; L65-R68 PolarHBondContact O-N 3.14Å; L65-N69 PolarHBondContact O-N 3.07Å; L65-N69 PolarHBondContact O-ND2 3.39Å; L65-N69 PolarHBondContact O-OD1 2.87Å
66	S	98.8	Very high	98.8	Very high	59 Å²	59	99.7 Å²	99.7	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-58.8	-52.8	174.2	-169.1	0	0	0	0	111.5	D62 K63 R68 N69 E70	D62-S66 PolarHBondContact O-N 3.13Å; K63-S66 WeakPolarHBondContact O-CB 3.28Å; K63-S66 PolarHBondContact O-N 2.98Å; S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 3.05Å; S66-N69 WeakPolarHBondContact O-CB 3.23Å; S66-N69 PolarHBondContact O-N 2.97Å; S66-N69 VanDerWaalsContact O-N 3.07Å; S66-E70 PolarHBondContact O-N 3.02Å; S66-E70 PolarHBondContact OG-OE1 3Å
67	T	98.8	Very high	98.8	Very high	59 Å²	59	96 Å²	96	36%	0.362	48%	0.48	S	S	.	.	H	α-helix	trans	-60.9	-39.2	179.3	-56.5	0	0	0	0	112	K63 K64 N69 E70 Y71	K63-T67 PolarHBondContact O-N 2.85Å; K63-T67 PolarHBondContact O-OG1 3.3Å; K63-T67 VanDerWaalsContact O-OG1 3.13Å; K64-T67 PolarHBondContact O-N 3.36Å; T67-N69 VanDerWaalsContact C-N 3.35Å; T67-N69 PolarHBondContact O-N 3.49Å; T67-E70 WeakPolarHBondContact O-CB 3.3Å; T67-E70 PolarHBondContact O-N 3.46Å; T67-Y71 HydrophobicContact CG2-CD2 4.01Å; T67-Y71 HydrophobicContact CG2-CE2 3.56Å; T67-Y71 VanDerWaalsContact O-CD2 3.23Å; T67-Y71 WeakPolarHBondContact O-CD2 3.43Å; T67-Y71 PolarHBondContact O-N 3.25Å
68	R	98.9	Very high	98.8	Very high	124 Å²	124	94.9 Å²	94.9	47%	0.468	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-45.8	173.7	-173.6	-77.7	-57.2	-150.5	-6.5	111	K64 L65 S66 E70 Y71 D72	K64-R68 VanDerWaalsContact O-CB 3.3Å; K64-R68 WeakPolarHBondContact O-CB 3.46Å; K64-R68 PolarHBondContact O-N 3.37Å; L65-R68 PolarHBondContact O-N 3.14Å; S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 3.05Å; R68-E70 VanDerWaalsContact C-N 3.27Å; R68-E70 PolarHBondContact O-N 3.31Å; R68-Y71 WeakPolarHBondContact O-CB 3.44Å; R68-Y71 PolarHBondContact O-N 2.78Å; R68-Y71 VanDerWaalsContact O-N 3.17Å; R68-D72 WeakPolarHBondContact CD-OD2 3.45Å; R68-D72 IonicContact CZ-OD2 3.48Å; R68-D72 IonicContact NE-OD2 3.55Å; R68-D72 IonicContact NH1-OD2 2.76Å; R68-D72 PolarHBondContact NH1-OD2 2.76Å; R68-D72 PolarHBondContact O-N 3.48Å
69	N	98.8	Very high	98.8	Very high	82 Å²	82	97.3 Å²	97.3	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-34.9	178.2	-64.1	-16.2	0	0	0	112.1	L65 S66 T67 D72 R73	L65-N69 PolarHBondContact O-N 3.07Å; L65-N69 PolarHBondContact O-ND2 3.39Å; L65-N69 PolarHBondContact O-OD1 2.87Å; S66-N69 WeakPolarHBondContact O-CB 3.23Å; S66-N69 PolarHBondContact O-N 2.97Å; S66-N69 VanDerWaalsContact O-N 3.07Å; T67-N69 VanDerWaalsContact C-N 3.35Å; T67-N69 PolarHBondContact O-N 3.49Å; N69-D72 PolarHBondContact O-N 3.35Å; N69-R73 WeakPolarHBondContact O-CB 3.26Å; N69-R73 PolarHBondContact O-N 3.5Å
70	E	98.8	Very high	98.8	Very high	110 Å²	110	95 Å²	95	51%	0.514	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-41.6	173.7	-70	165.4	-153.2	0	0	112	S66 T67 R68 R73 T74	S66-E70 PolarHBondContact O-N 3.02Å; S66-E70 PolarHBondContact OG-OE1 3Å; T67-E70 WeakPolarHBondContact O-CB 3.3Å; T67-E70 PolarHBondContact O-N 3.46Å; R68-E70 VanDerWaalsContact C-N 3.27Å; R68-E70 PolarHBondContact O-N 3.31Å; E70-R73 PolarHBondContact O-N 2.83Å; E70-T74 WeakPolarHBondContact O-CB 3.48Å; E70-T74 PolarHBondContact O-N 3.17Å; E70-T74 PolarHBondContact O-OG1 3.43Å
71	Y	98.8	Very high	98.8	Very high	153 Å²	153	95 Å²	95	60%	0.6	49%	0.487	S	S	*	.	H	α-helix	trans	-62	-49.7	172.5	-74.5	-55.8	0	0	0	111.8	T67 R68 R73 T74 I75	T67-Y71 HydrophobicContact CG2-CD2 4.01Å; T67-Y71 HydrophobicContact CG2-CE2 3.56Å; T67-Y71 VanDerWaalsContact O-CD2 3.23Å; T67-Y71 WeakPolarHBondContact O-CD2 3.43Å; T67-Y71 PolarHBondContact O-N 3.25Å; R68-Y71 WeakPolarHBondContact O-CB 3.44Å; R68-Y71 PolarHBondContact O-N 2.78Å; R68-Y71 VanDerWaalsContact O-N 3.17Å; Y71-R73 PolarHBondContact O-N 3.12Å; Y71-T74 PolarHBondContact O-N 2.93Å; Y71-T74 VanDerWaalsContact O-N 3.12Å; Y71-I75 WeakPolarHBondContact O-CB 3.38Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.03Å; Y71-I75 PolarHBondContact O-N 3.29Å
72	D	98.9	Very high	98.7	Very high	73 Å²	73	98.1 Å²	98.1	39%	0.39	49%	0.493	S	S	.	.	H	α-helix	trans	-55.7	-44.1	179.2	-72.3	-7.1	0	0	0	110.8	R68 N69 A76	R68-D72 WeakPolarHBondContact CD-OD2 3.45Å; R68-D72 IonicContact CZ-OD2 3.48Å; R68-D72 IonicContact NE-OD2 3.55Å; R68-D72 IonicContact NH1-OD2 2.76Å; R68-D72 PolarHBondContact NH1-OD2 2.76Å; R68-D72 PolarHBondContact O-N 3.48Å; N69-D72 PolarHBondContact O-N 3.35Å; D72-A76 WeakPolarHBondContact O-CB 3.39Å; D72-A76 PolarHBondContact O-N 3Å
73	R	98.8	Very high	98.7	Very high	169 Å²	169	97.7 Å²	97.7	64%	0.638	49%	0.489	S	S	*	.	H	α-helix	trans	-61.5	-49.7	175.9	-179	178.1	-179.9	151.2	4.4	112.2	N69 E70 Y71 I75 A76 E77	N69-R73 WeakPolarHBondContact O-CB 3.26Å; N69-R73 PolarHBondContact O-N 3.5Å; E70-R73 PolarHBondContact O-N 2.83Å; Y71-R73 PolarHBondContact O-N 3.12Å; R73-I75 VanDerWaalsContact C-N 3.31Å; R73-I75 PolarHBondContact O-N 2.96Å; R73-A76 PolarHBondContact O-N 2.85Å; R73-E77 HydrophobicContact CG-CG 4.42Å; R73-E77 WeakPolarHBondContact CG-OE1 3.28Å; R73-E77 IonicContact CZ-OE1 3.5Å; R73-E77 IonicContact NE-OE1 2.78Å; R73-E77 PolarHBondContact NE-OE1 3.37Å; R73-E77 IonicContact NH2-OE1 3.31Å; R73-E77 PolarHBondContact NH2-OE1 2.84Å; R73-E77 WeakPolarHBondContact O-CB 3.45Å; R73-E77 WeakPolarHBondContact O-CG 3.46Å; R73-E77 PolarHBondContact O-N 2.91Å
74	T	98.7	Very high	98.7	Very high	79 Å²	79	97.7 Å²	97.7	49%	0.485	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-40.7	-178.5	-57.3	0	0	0	0	111.3	E70 Y71 S78	E70-T74 WeakPolarHBondContact O-CB 3.48Å; E70-T74 PolarHBondContact O-N 3.17Å; E70-T74 PolarHBondContact O-OG1 3.43Å; Y71-T74 PolarHBondContact O-N 2.93Å; Y71-T74 VanDerWaalsContact O-N 3.12Å; T74-S78 VanDerWaalsContact O-CB 3.28Å; T74-S78 WeakPolarHBondContact O-CB 3.37Å; T74-S78 PolarHBondContact O-N 2.73Å; T74-S78 PolarHBondContact O-OG 3.32Å
75	I	98.8	Very high	98.7	Very high	89 Å²	89	96.2 Å²	96.2	46%	0.456	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-52.9	176	-69.9	165.6	0	0	0	109.6	Y71 R73 E77 S78 E79	Y71-I75 WeakPolarHBondContact O-CB 3.38Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.03Å; Y71-I75 PolarHBondContact O-N 3.29Å; R73-I75 VanDerWaalsContact C-N 3.31Å; R73-I75 PolarHBondContact O-N 2.96Å; I75-E77 VanDerWaalsContact C-N 3.35Å; I75-E77 PolarHBondContact O-N 2.96Å; I75-S78 PolarHBondContact O-N 3.01Å; I75-S78 VanDerWaalsContact O-N 3.12Å; I75-E79 HydrophobicContact CG2-CG 4.27Å; I75-E79 WeakPolarHBondContact O-CG 3.36Å; I75-E79 PolarHBondContact O-N 2.98Å
76	A	98.7	Very high	98.7	Very high	54 Å²	54	96.7 Å²	96.7	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-60	-42.9	-179.1	0	0	0	0	0	112.6	D72 R73 S78 A80	D72-A76 WeakPolarHBondContact O-CB 3.39Å; D72-A76 PolarHBondContact O-N 3Å; R73-A76 PolarHBondContact O-N 2.85Å; A76-S78 VanDerWaalsContact C-N 3.34Å; A76-A80 WeakPolarHBondContact O-CB 3.49Å; A76-A80 PolarHBondContact O-N 3.12Å
77	E	98.6	Very high	98.6	Very high	105 Å²	105	99.1 Å²	99.1	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-40.8	176	-72.8	176.3	-176.5	0	0	111.6	R73 I75 A81	R73-E77 HydrophobicContact CG-CG 4.42Å; R73-E77 WeakPolarHBondContact CG-OE1 3.28Å; R73-E77 IonicContact CZ-OE1 3.5Å; R73-E77 IonicContact NE-OE1 2.78Å; R73-E77 PolarHBondContact NE-OE1 3.37Å; R73-E77 IonicContact NH2-OE1 3.31Å; R73-E77 PolarHBondContact NH2-OE1 2.84Å; R73-E77 WeakPolarHBondContact O-CB 3.45Å; R73-E77 WeakPolarHBondContact O-CG 3.46Å; R73-E77 PolarHBondContact O-N 2.91Å; I75-E77 VanDerWaalsContact C-N 3.35Å; I75-E77 PolarHBondContact O-N 2.96Å; E77-A81 WeakPolarHBondContact O-CB 3.41Å; E77-A81 PolarHBondContact O-N 2.86Å
78	S	98.5	Very high	98.6	Very high	68 Å²	68	100 Å²	100	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-41.8	178.7	-59.6	0	0	0	0	112.3	T74 I75 A76 A81 Y82	T74-S78 VanDerWaalsContact O-CB 3.28Å; T74-S78 WeakPolarHBondContact O-CB 3.37Å; T74-S78 PolarHBondContact O-N 2.73Å; T74-S78 PolarHBondContact O-OG 3.32Å; I75-S78 PolarHBondContact O-N 3.01Å; I75-S78 VanDerWaalsContact O-N 3.12Å; A76-S78 VanDerWaalsContact C-N 3.34Å; S78-A81 PolarHBondContact O-N 3.24Å; S78-Y82 WeakPolarHBondContact O-CB 3.37Å; S78-Y82 PolarHBondContact O-N 3.21Å
79	E	98.6	Very high	98.6	Very high	124 Å²	124	97.1 Å²	97.1	58%	0.579	50%	0.502	S	S	*	.	H	α-helix	trans	-61.8	-44.3	175	-73.7	179	158.7	0	0	111	I75 A81 Y82 M83	I75-E79 HydrophobicContact CG2-CG 4.27Å; I75-E79 WeakPolarHBondContact O-CG 3.36Å; I75-E79 PolarHBondContact O-N 2.98Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 3.29Å; E79-Y82 PolarHBondContact O-N 3.42Å; E79-M83 WeakPolarHBondContact O-CG 3.44Å; E79-M83 PolarHBondContact O-N 3Å
80	A	98.7	Very high	98.5	Very high	53 Å²	53	99.6 Å²	99.6	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-39.8	175.9	0	0	0	0	0	112.2	A76 K84	A76-A80 WeakPolarHBondContact O-CB 3.49Å; A76-A80 PolarHBondContact O-N 3.12Å; A80-K84 PolarHBondContact O-N 2.77Å
81	A	98.6	Very high	98.5	Very high	49 Å²	49	98.6 Å²	98.6	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-41.6	174.7	0	0	0	0	0	111.9	E77 S78 E79 M83 K84 I85	E77-A81 WeakPolarHBondContact O-CB 3.41Å; E77-A81 PolarHBondContact O-N 2.86Å; S78-A81 PolarHBondContact O-N 3.24Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 3.29Å; A81-M83 VanDerWaalsContact C-N 3.34Å; A81-M83 PolarHBondContact O-N 3.01Å; A81-K84 PolarHBondContact O-N 3.44Å; A81-I85 PolarHBondContact O-N 3.4Å
82	Y	98.6	Very high	98.5	Very high	152 Å²	152	97 Å²	97	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-61.5	-40.9	177.4	-175.4	-101.4	0	0	0	112.1	S78 E79 K84 I85 L86	S78-Y82 WeakPolarHBondContact O-CB 3.37Å; S78-Y82 PolarHBondContact O-N 3.21Å; E79-Y82 PolarHBondContact O-N 3.42Å; Y82-K84 VanDerWaalsContact C-N 3.32Å; Y82-K84 PolarHBondContact O-N 3.22Å; Y82-I85 WeakPolarHBondContact O-CB 3.35Å; Y82-I85 PolarHBondContact O-N 2.97Å; Y82-I85 VanDerWaalsContact O-N 3.14Å; Y82-L86 PolarHBondContact O-N 3.14Å
83	M	98.5	Very high	98.5	Very high	96 Å²	96	97.7 Å²	97.7	47%	0.473	52%	0.516	S	S	.	.	H	α-helix	trans	-58.9	-41.3	175.1	-73.4	-57.4	-61.9	0	0	112.5	E79 A81 I85 L86 E87	E79-M83 WeakPolarHBondContact O-CG 3.44Å; E79-M83 PolarHBondContact O-N 3Å; A81-M83 VanDerWaalsContact C-N 3.34Å; A81-M83 PolarHBondContact O-N 3.01Å; M83-I85 VanDerWaalsContact C-N 3.32Å; M83-I85 PolarHBondContact O-N 2.97Å; M83-L86 WeakPolarHBondContact O-CB 3.39Å; M83-L86 PolarHBondContact O-N 3.46Å; M83-L86 HydrophobicContact SD-CD2 4.4Å; M83-E87 WeakPolarHBondContact O-CG 3.44Å; M83-E87 PolarHBondContact O-N 3.37Å
84	K	98.5	Very high	98.4	Very high	141 Å²	141	93.8 Å²	93.8	61%	0.613	51%	0.511	S	S	*	.	H	α-helix	trans	-63.9	-36.6	175.9	-65.9	175.6	-177.1	177.6	0	112.7	A80 A81 Y82 S88	A80-K84 PolarHBondContact O-N 2.77Å; A81-K84 PolarHBondContact O-N 3.44Å; Y82-K84 VanDerWaalsContact C-N 3.32Å; Y82-K84 PolarHBondContact O-N 3.22Å; K84-S88 WeakPolarHBondContact O-CB 3.47Å; K84-S88 PolarHBondContact O-N 3.45Å; K84-S88 PolarHBondContact O-OG 3.38Å
85	I	98.5	Very high	98.4	Very high	106 Å²	106	93.7 Å²	93.7	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-66.4	-41.6	175.4	-66.4	171.1	0	0	0	110.2	A81 Y82 M83 S88 S89	A81-I85 PolarHBondContact O-N 3.4Å; Y82-I85 WeakPolarHBondContact O-CB 3.35Å; Y82-I85 PolarHBondContact O-N 2.97Å; Y82-I85 VanDerWaalsContact O-N 3.14Å; M83-I85 VanDerWaalsContact C-N 3.32Å; M83-I85 PolarHBondContact O-N 2.97Å; I85-S88 PolarHBondContact O-N 3.23Å; I85-S89 WeakPolarHBondContact O-CB 3.33Å; I85-S89 PolarHBondContact O-N 2.77Å; I85-S89 PolarHBondContact O-OG 2.85Å
86	L	98.2	Very high	98.3	Very high	85 Å²	85	95.1 Å²	95.1	45%	0.445	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-47.6	178.3	-173.3	66.6	0	0	0	111.3	Y82 M83 S88 S89 Q90	Y82-L86 PolarHBondContact O-N 3.14Å; M83-L86 WeakPolarHBondContact O-CB 3.39Å; M83-L86 PolarHBondContact O-N 3.46Å; M83-L86 HydrophobicContact SD-CD2 4.4Å; L86-S88 PolarHBondContact O-N 3.2Å; L86-S89 WeakPolarHBondContact O-CB 3.47Å; L86-S89 PolarHBondContact O-N 3.36Å; L86-Q90 PolarHBondContact O-N 2.98Å
87	E	98.2	Very high	98.2	Very high	110 Å²	110	98.7 Å²	98.7	51%	0.514	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-43.2	175.5	-71.1	172.2	178.5	0	0	112.2	M83 S89 Q90 T91	M83-E87 WeakPolarHBondContact O-CG 3.44Å; M83-E87 PolarHBondContact O-N 3.37Å; E87-S89 VanDerWaalsContact C-N 3.34Å; E87-S89 PolarHBondContact O-N 3.48Å; E87-Q90 PolarHBondContact O-N 2.91Å; E87-T91 PolarHBondContact O-N 2.99Å; E87-T91 PolarHBondContact O-OG1 2.91Å
88	S	98.3	Very high	98.2	Very high	79 Å²	79	101.6 Å²	101.6	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-40.6	176.6	-60.2	0	0	0	0	111.5	K84 I85 L86 T91 L92	K84-S88 WeakPolarHBondContact O-CB 3.47Å; K84-S88 PolarHBondContact O-N 3.45Å; K84-S88 PolarHBondContact O-OG 3.38Å; I85-S88 PolarHBondContact O-N 3.23Å; L86-S88 PolarHBondContact O-N 3.2Å; S88-T91 WeakPolarHBondContact O-CB 3.48Å; S88-T91 PolarHBondContact O-N 3.34Å; S88-L92 WeakPolarHBondContact O-CB 3.44Å; S88-L92 PolarHBondContact O-N 2.89Å
89	S	98.1	Very high	98.1	Very high	63 Å²	63	102.7 Å²	102.7	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-40.6	177.6	-60.8	0	0	0	0	111.9	I85 L86 E87 T91 L92 L93	I85-S89 WeakPolarHBondContact O-CB 3.33Å; I85-S89 PolarHBondContact O-N 2.77Å; I85-S89 PolarHBondContact O-OG 2.85Å; L86-S89 WeakPolarHBondContact O-CB 3.47Å; L86-S89 PolarHBondContact O-N 3.36Å; E87-S89 VanDerWaalsContact C-N 3.34Å; E87-S89 PolarHBondContact O-N 3.48Å; S89-T91 VanDerWaalsContact C-N 3.34Å; S89-L92 PolarHBondContact O-N 2.89Å; S89-L93 WeakPolarHBondContact O-CB 3.35Å; S89-L93 PolarHBondContact O-N 3.39Å
90	Q	98	Very high	97.9	Very high	133 Å²	133	98.3 Å²	98.3	62%	0.621	52%	0.517	S	S	*	.	H	α-helix	trans	-63	-42.2	174.6	-175.9	179	6.2	0	0	111.4	L86 E87 L93 T94	L86-Q90 PolarHBondContact O-N 2.98Å; E87-Q90 PolarHBondContact O-N 2.91Å; Q90-L93 PolarHBondContact O-N 3.04Å; Q90-T94 WeakPolarHBondContact O-CB 3.41Å; Q90-T94 PolarHBondContact O-N 3.15Å; Q90-T94 PolarHBondContact O-OG1 3.43Å
91	T	98.2	Very high	97.8	Very high	90 Å²	90	101.6 Å²	101.6	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-61.4	-49.5	175.3	-58.7	0	0	0	0	110.7	E87 S88 S89 L93 T94 V95	E87-T91 PolarHBondContact O-N 2.99Å; E87-T91 PolarHBondContact O-OG1 2.91Å; S88-T91 WeakPolarHBondContact O-CB 3.48Å; S88-T91 PolarHBondContact O-N 3.34Å; S89-T91 VanDerWaalsContact C-N 3.34Å; T91-L93 PolarHBondContact O-N 2.82Å; T91-T94 WeakPolarHBondContact O-CB 3.47Å; T91-T94 PolarHBondContact O-N 3.04Å; T91-T94 VanDerWaalsContact O-N 3.15Å; T91-V95 WeakPolarHBondContact O-CG2 3.48Å; T91-V95 PolarHBondContact O-N 3.47Å
92	L	98.3	Very high	97.6	Very high	119 Å²	119	101.5 Å²	101.5	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-44.4	178.3	-179	61	0	0	0	112.1	S88 S89 T94 V95 L96	S88-L92 WeakPolarHBondContact O-CB 3.44Å; S88-L92 PolarHBondContact O-N 2.89Å; S89-L92 PolarHBondContact O-N 2.89Å; L92-T94 VanDerWaalsContact C-N 3.27Å; L92-T94 PolarHBondContact O-N 2.9Å; L92-V95 PolarHBondContact O-N 3.28Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 PolarHBondContact O-N 3.37Å
93	L	98.1	Very high	97.5	Very high	87 Å²	87	99.7 Å²	99.7	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-60.3	-38.7	176.7	179.4	61.7	0	0	0	111.8	S89 Q90 T91 L96 K97	S89-L93 WeakPolarHBondContact O-CB 3.35Å; S89-L93 PolarHBondContact O-N 3.39Å; Q90-L93 PolarHBondContact O-N 3.04Å; T91-L93 PolarHBondContact O-N 2.82Å; L93-L96 PolarHBondContact O-N 2.96Å; L93-K97 HydrophobicContact CD1-CG 4.44Å; L93-K97 HydrophobicContact CG-CD 4.48Å; L93-K97 WeakPolarHBondContact O-CB 3.5Å; L93-K97 WeakPolarHBondContact O-CG 3.45Å; L93-K97 PolarHBondContact O-N 3.04Å
94	T	98	Very high	97.2	Very high	87 Å²	87	99.6 Å²	99.6	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-44.7	178.7	-59.6	0	0	0	0	110.9	Q90 T91 L92 K97 R98	Q90-T94 WeakPolarHBondContact O-CB 3.41Å; Q90-T94 PolarHBondContact O-N 3.15Å; Q90-T94 PolarHBondContact O-OG1 3.43Å; T91-T94 WeakPolarHBondContact O-CB 3.47Å; T91-T94 PolarHBondContact O-N 3.04Å; T91-T94 VanDerWaalsContact O-N 3.15Å; L92-T94 VanDerWaalsContact C-N 3.27Å; L92-T94 PolarHBondContact O-N 2.9Å; T94-K97 PolarHBondContact O-N 2.9Å; T94-R98 WeakPolarHBondContact O-CB 3.48Å; T94-R98 PolarHBondContact O-N 2.89Å
95	V	97.8	Very high	97	Very high	77 Å²	77	98.6 Å²	98.6	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-47.8	174.5	174.3	0	0	0	0	110.8	T91 L92 K97 R98 E99	T91-V95 WeakPolarHBondContact O-CG2 3.48Å; T91-V95 PolarHBondContact O-N 3.47Å; L92-V95 PolarHBondContact O-N 3.28Å; V95-K97 PolarHBondContact O-N 3.19Å; V95-R98 PolarHBondContact O-N 3.41Å; V95-E99 HydrophobicContact CG1-CG 4.28Å; V95-E99 WeakPolarHBondContact O-CG 3.46Å; V95-E99 PolarHBondContact O-N 3.46Å
96	L	97.5	Very high	96.6	Very high	119 Å²	119	100.4 Å²	100.4	62%	0.623	52%	0.521	S	S	*	.	H	α-helix	trans	-59.6	-44.5	179.9	-171.3	112.9	0	0	0	112	L92 L93 G100	L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 PolarHBondContact O-N 3.37Å; L93-L96 PolarHBondContact O-N 2.96Å; L96-G100 PolarHBondContact O-N 3.45Å
97	K	97.1	Very high	96.3	Very high	129 Å²	129	98.7 Å²	98.7	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-61.5	-44.6	175.8	-77.5	-178.6	177	-178.4	0	111.8	L93 T94 V95 Q101	L93-K97 HydrophobicContact CD1-CG 4.44Å; L93-K97 HydrophobicContact CG-CD 4.48Å; L93-K97 WeakPolarHBondContact O-CB 3.5Å; L93-K97 WeakPolarHBondContact O-CG 3.45Å; L93-K97 PolarHBondContact O-N 3.04Å; T94-K97 PolarHBondContact O-N 2.9Å; V95-K97 PolarHBondContact O-N 3.19Å; K97-Q101 VanDerWaalsContact O-CG 3.29Å; K97-Q101 WeakPolarHBondContact O-CG 3.39Å; K97-Q101 PolarHBondContact O-N 3.19Å
98	R	96.9	Very high	95.9	Very high	166 Å²	166	97.5 Å²	97.5	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-63.4	-49.1	179.5	-176.6	-178.6	-179.4	-179.2	-0.6	111.7	T94 V95 Q101 N102	T94-R98 WeakPolarHBondContact O-CB 3.48Å; T94-R98 PolarHBondContact O-N 2.89Å; V95-R98 PolarHBondContact O-N 3.41Å; R98-Q101 PolarHBondContact O-N 3.42Å; R98-N102 PolarHBondContact O-N 3.49Å; R98-N102 PolarHBondContact O-ND2 3.22Å; R98-N102 PolarHBondContact O-OD1 2.95Å
99	E	96.6	Very high	95.2	Very high	91 Å²	91	97.2 Å²	97.2	43%	0.425	52%	0.522	S	S	.	.	H	α-helix	trans	-67.3	-38.3	179.9	-66.5	-50.9	141.8	0	0	112	V95 Q101 N102 I103	V95-E99 HydrophobicContact CG1-CG 4.28Å; V95-E99 WeakPolarHBondContact O-CG 3.46Å; V95-E99 PolarHBondContact O-N 3.46Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 3.27Å; E99-N102 WeakPolarHBondContact O-CB 3.29Å; E99-N102 PolarHBondContact O-N 3.44Å; E99-N102 PolarHBondContact OE2-ND2 3.09Å; E99-I103 VanDerWaalsContact O-CG1 3.29Å; E99-I103 WeakPolarHBondContact O-CG1 3.31Å; E99-I103 PolarHBondContact O-N 3Å
100	G	96.3	Very high	94.2	Very high	33 Å²	33	102.8 Å²	102.8	34%	0.34	54%	0.538	S	S	.	.	H	α-helix	trans	-57.2	-46.1	171.6	0	0	0	0	0	112.3	L96 I103 V104	L96-G100 PolarHBondContact O-N 3.45Å; G100-I103 PolarHBondContact O-N 3.33Å; G100-V104 WeakPolarHBondContact O-CG2 3.29Å; G100-V104 PolarHBondContact O-N 2.96Å; G100-V104 VanDerWaalsContact O-N 3.09Å
101	Q	95.4	Very high	92.9	Very high	122 Å²	122	102.7 Å²	102.7	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-62.3	-42.6	175.1	-74	173.9	-13.9	0	0	112.4	K97 R98 E99 I103 V104 Q105	K97-Q101 VanDerWaalsContact O-CG 3.29Å; K97-Q101 WeakPolarHBondContact O-CG 3.39Å; K97-Q101 PolarHBondContact O-N 3.19Å; R98-Q101 PolarHBondContact O-N 3.42Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 3.27Å; Q101-I103 VanDerWaalsContact C-N 3.31Å; Q101-I103 PolarHBondContact O-N 3.05Å; Q101-V104 PolarHBondContact O-N 3.28Å; Q101-Q105 WeakPolarHBondContact O-CG 3.48Å; Q101-Q105 PolarHBondContact O-N 2.97Å
102	N	94.9	Very high	91	Very high	47 Å²	47	103.3 Å²	103.3	25%	0.251	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-41.1	176.7	-68.2	-22.6	0	0	0	111.9	R98 E99 K106	R98-N102 PolarHBondContact O-N 3.49Å; R98-N102 PolarHBondContact O-ND2 3.22Å; R98-N102 PolarHBondContact O-OD1 2.95Å; E99-N102 WeakPolarHBondContact O-CB 3.29Å; E99-N102 PolarHBondContact O-N 3.44Å; E99-N102 PolarHBondContact OE2-ND2 3.09Å; N102-K106 VanDerWaalsContact O-CG 3.31Å; N102-K106 WeakPolarHBondContact O-CG 3.37Å; N102-K106 PolarHBondContact O-N 3.41Å
103	I	95.3	Very high	89.2	Confident	114 Å²	114	103.1 Å²	103.1	59%	0.585	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-46.4	177.3	-67.6	164.9	0	0	0	110.4	E99 G100 Q101 Q105 K106 A107	E99-I103 VanDerWaalsContact O-CG1 3.29Å; E99-I103 WeakPolarHBondContact O-CG1 3.31Å; E99-I103 PolarHBondContact O-N 3Å; G100-I103 PolarHBondContact O-N 3.33Å; Q101-I103 VanDerWaalsContact C-N 3.31Å; Q101-I103 PolarHBondContact O-N 3.05Å; I103-Q105 PolarHBondContact O-N 3.26Å; I103-K106 PolarHBondContact O-N 3.43Å; I103-A107 WeakPolarHBondContact O-CB 3.39Å; I103-A107 PolarHBondContact O-N 3.44Å
104	V	93.9	Very high	87	Confident	93 Å²	93	112.6 Å²	112.6	56%	0.564	59%	0.589	S	S	*	*	H	α-helix	trans	-59.4	-46.3	177.8	172.9	0	0	0	0	111	G100 Q101 K106 A107 T108	G100-V104 WeakPolarHBondContact O-CG2 3.29Å; G100-V104 PolarHBondContact O-N 2.96Å; G100-V104 VanDerWaalsContact O-N 3.09Å; Q101-V104 PolarHBondContact O-N 3.28Å; V104-K106 PolarHBondContact O-N 3.31Å; V104-A107 PolarHBondContact O-N 3.4Å; V104-T108 WeakPolarHBondContact O-CG2 3.44Å; V104-T108 PolarHBondContact O-N 3.46Å; V104-T108 PolarHBondContact O-OG1 3.02Å
105	Q	92.6	Very high	86.5	Confident	120 Å²	120	113.9 Å²	113.9	56%	0.561	59%	0.592	S	S	*	*	H	α-helix	trans	-62.4	-39.8	178	-70.4	173.9	17.7	0	0	112.8	Q101 I103 A107 T108 A109	Q101-Q105 WeakPolarHBondContact O-CG 3.48Å; Q101-Q105 PolarHBondContact O-N 2.97Å; I103-Q105 PolarHBondContact O-N 3.26Å; Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-T108 PolarHBondContact O-OG1 2.96Å; Q105-A109 WeakPolarHBondContact O-CB 3.47Å; Q105-A109 PolarHBondContact O-N 3.27Å; Q105-A109 VanDerWaalsContact O-N 3.09Å
106	K	91.7	Very high	85.9	Confident	144 Å²	144	115.8 Å²	115.8	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-66.8	-36.1	175.7	-74.3	173.8	-177.1	176.6	0	112.2	N102 I103 V104 K110	N102-K106 VanDerWaalsContact O-CG 3.31Å; N102-K106 WeakPolarHBondContact O-CG 3.37Å; N102-K106 PolarHBondContact O-N 3.41Å; I103-K106 PolarHBondContact O-N 3.43Å; V104-K106 PolarHBondContact O-N 3.31Å; K106-K110 WeakPolarHBondContact O-CG 3.36Å; K106-K110 PolarHBondContact O-N 2.98Å
107	A	90.8	Very high	85.2	Confident	49 Å²	49	115.7 Å²	115.7	41%	0.405	60%	0.597	S	S	.	*	H	α-helix	trans	-70.3	-42.5	178.1	0	0	0	0	0	111.8	I103 V104 Q105 K110 N111	I103-A107 WeakPolarHBondContact O-CB 3.39Å; I103-A107 PolarHBondContact O-N 3.44Å; V104-A107 PolarHBondContact O-N 3.4Å; Q105-A107 VanDerWaalsContact C-N 3.34Å; A107-K110 PolarHBondContact O-N 3.46Å; A107-N111 PolarHBondContact O-N 3.09Å
108	T	89.1	Confident	84.5	Confident	86 Å²	86	114.9 Å²	114.9	53%	0.528	60%	0.599	S	S	.	*	H	α-helix	trans	-67.4	-39.6	177.9	54.4	0	0	0	0	112.3	V104 Q105 K110 N111	V104-T108 WeakPolarHBondContact O-CG2 3.44Å; V104-T108 PolarHBondContact O-N 3.46Å; V104-T108 PolarHBondContact O-OG1 3.02Å; Q105-T108 PolarHBondContact O-OG1 2.96Å; T108-K110 VanDerWaalsContact C-N 3.26Å; T108-K110 PolarHBondContact O-N 3.17Å; T108-N111 PolarHBondContact O-N 3.21Å
109	A	83.9	Confident	83.8	Confident	72 Å²	72	111.7 Å²	111.7	60%	0.595	60%	0.598	S	S	*	*	H	α-helix	trans	-62.8	-30	177.4	0	0	0	0	0	113.5	Q105	Q105-A109 WeakPolarHBondContact O-CB 3.47Å; Q105-A109 PolarHBondContact O-N 3.27Å; Q105-A109 VanDerWaalsContact O-N 3.09Å
110	K	77	Confident	82.9	Confident	180 Å²	180	113.1 Å²	113.1	78%	0.783	61%	0.609	S	S	*	*	H	α-helix	trans	-79.1	-19.7	177.1	-74.1	-177.3	178.3	-172.4	0	114	K106 A107 T108	K106-K110 WeakPolarHBondContact O-CG 3.36Å; K106-K110 PolarHBondContact O-N 2.98Å; A107-K110 PolarHBondContact O-N 3.46Å; T108-K110 VanDerWaalsContact C-N 3.26Å; T108-K110 PolarHBondContact O-N 3.17Å
111	N	71.5	Confident	81.9	Confident	131 Å²	131	118.8 Å²	118.8	70%	0.701	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	6.5	-175.7	-75.3	-19.8	0	0	0	113.6	A107 T108 P113	A107-N111 PolarHBondContact O-N 3.09Å; T108-N111 PolarHBondContact O-N 3.21Å; N111-P113 WeakPolarHBondContact O-CD 3.2Å
112	V	58.8	Low	80.9	Confident	103 Å²	103	118.5 Å²	118.5	62%	0.624	63%	0.633	S	S	*	*			trans	-74.8	110	173.3	-173.4	0	0	0	0	107.9
113	P	59	Low	79.7	Confident	116 Å²	116	124.5 Å²	124.5	75%	0.753	67%	0.665	S	S	*	*			trans	-70.6	132.4	175.5	-0.4	18.3	0	0	0	108.1	N111	N111-P113 WeakPolarHBondContact O-CD 3.2Å
114	F	53.4	Low	78.3	Confident	286 Å²	286	125.5 Å²	125.5	100%	1.254	67%	0.672	S	S	*	*			trans	-62.7	0	167.8	-71.8	-82.2	0	0	0	111.1

Retrieved 114 of 114 residues in 112.2 ms (Link to these results)

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