A0A5K4F816_SCHMA Loading...

Biogenesis of lysosome-related organelles complex 1 subunit 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F816, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 aa.

						>A0A5K4F816_SCHMA|A0A5K4F816
MLSLIYKEYQHEKTLRKAQLETKKRTMLVSIDEMTNGLLTKIDENVSKAYINQHRLNSEFKELITQLHIYQNHVNVWLKLVSDIRNVLKELGDVECWSMKMEQDAMLIDSCLQTVLSRY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	81.2	Confident	92.6	Very high	190 Å²	190	123.1 Å²	123.1	94%	0.936	59%	0.589	S	S	*	*				0	-60.5	0	-153.8	172.5	79.8	0	0	112.4	S3 L4 I5	M1-S3 PolarHBondContact O-N 3.39Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-I5 HydrophobicContact CG-CD1 4.32Å; M1-I5 PolarHBondContact O-N 3.32Å
2	L	90.3	Very high	92.9	Very high	146 Å²	146	120.1 Å²	120.1	76%	0.764	57%	0.574	S	S	*	*	H	α-helix	trans	-59.9	-38.6	-174.6	-151.5	79.1	0	0	0	115.3	L4 I5 Y6	L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 3.46Å; L2-I5 PolarHBondContact O-N 3Å; L2-Y6 PolarHBondContact O-N 3.11Å
3	S	91.5	Very high	93.1	Very high	77 Å²	77	117.1 Å²	117.1	54%	0.538	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-35.1	179.3	179.9	0	0	0	0	113.3	M1 K7	M1-S3 PolarHBondContact O-N 3.39Å; S3-K7 WeakPolarHBondContact O-CG 3.45Å; S3-K7 PolarHBondContact O-N 2.92Å; S3-K7 VanDerWaalsContact O-N 3.11Å
4	L	93.4	Very high	93.3	Very high	114 Å²	114	115 Å²	115	60%	0.597	56%	0.556	S	S	*	*	H	α-helix	trans	-67.6	-49	176.6	-73.2	165.1	0	0	0	110.3	M1 L2 Y6 K7 E8	M1-L4 PolarHBondContact O-N 3.24Å; L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 3.46Å; L4-Y6 VanDerWaalsContact C-N 3.28Å; L4-Y6 PolarHBondContact O-N 2.92Å; L4-K7 PolarHBondContact O-N 3.08Å; L4-K7 VanDerWaalsContact O-N 3.08Å; L4-E8 WeakPolarHBondContact O-CG 3.48Å; L4-E8 PolarHBondContact O-N 3.3Å
5	I	93.7	Very high	93.5	Very high	89 Å²	89	113 Å²	113	46%	0.456	55%	0.548	S	S	.	.	H	α-helix	trans	-56.7	-42.5	176.8	-62.4	169.8	0	0	0	111	M1 L2 E8 Y9	M1-I5 HydrophobicContact CG-CD1 4.32Å; M1-I5 PolarHBondContact O-N 3.32Å; L2-I5 PolarHBondContact O-N 3Å; I5-E8 PolarHBondContact O-N 3.41Å; I5-Y9 WeakPolarHBondContact O-CB 3.47Å; I5-Y9 PolarHBondContact O-N 3.44Å
6	Y	94.2	Very high	93.7	Very high	146 Å²	146	115.5 Å²	115.5	57%	0.573	55%	0.55	S	S	*	*	H	α-helix	trans	-64.1	-42.3	177.2	-178.8	-95.9	0	0	0	112.6	L2 L4 Y9 Q10	L2-Y6 PolarHBondContact O-N 3.11Å; L4-Y6 VanDerWaalsContact C-N 3.28Å; L4-Y6 PolarHBondContact O-N 2.92Å; Y6-Y9 PolarHBondContact O-N 3.45Å; Y6-Q10 HydrophobicContact CD1-CG 4.2Å; Y6-Q10 HydrophobicContact CE1-CG 3.77Å; Y6-Q10 HydrophobicContact CE2-CG 4.44Å; Y6-Q10 VanDerWaalsContact CZ-NE2 3.29Å; Y6-Q10 WeakPolarHBondContact O-CG 3.38Å; Y6-Q10 PolarHBondContact O-N 3.31Å; Y6-Q10 PolarHBondContact OH-NE2 3.44Å
7	K	94.9	Very high	93.9	Very high	139 Å²	139	116.4 Å²	116.4	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-64.5	-44.1	176.7	-75.2	179.4	179.5	-176.4	0	111.6	S3 L4 Q10 H11	S3-K7 WeakPolarHBondContact O-CG 3.45Å; S3-K7 PolarHBondContact O-N 2.92Å; S3-K7 VanDerWaalsContact O-N 3.11Å; L4-K7 PolarHBondContact O-N 3.08Å; L4-K7 VanDerWaalsContact O-N 3.08Å; K7-Q10 PolarHBondContact O-N 2.99Å; K7-H11 WeakPolarHBondContact O-CB 3.39Å; K7-H11 PolarHBondContact O-N 2.89Å
8	E	94.4	Very high	94	Very high	126 Å²	126	112.8 Å²	112.8	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-58.8	-46.9	174.9	-73.6	171	179.1	0	0	111.3	L4 I5 Q10 H11 E12	L4-E8 WeakPolarHBondContact O-CG 3.48Å; L4-E8 PolarHBondContact O-N 3.3Å; I5-E8 PolarHBondContact O-N 3.41Å; E8-Q10 PolarHBondContact O-N 3.4Å; E8-H11 WeakPolarHBondContact O-CB 3.36Å; E8-H11 PolarHBondContact O-N 3.23Å; E8-E12 PolarHBondContact O-N 2.65Å
9	Y	94.6	Very high	94.2	Very high	129 Å²	129	111.9 Å²	111.9	51%	0.506	54%	0.54	S	S	.	.	H	α-helix	trans	-59.7	-44.6	175.8	170.7	-103.8	0	0	0	112.9	I5 Y6 H11 E12 K13	I5-Y9 WeakPolarHBondContact O-CB 3.47Å; I5-Y9 PolarHBondContact O-N 3.44Å; Y6-Y9 PolarHBondContact O-N 3.45Å; Y9-H11 VanDerWaalsContact C-N 3.32Å; Y9-H11 PolarHBondContact O-N 2.97Å; Y9-E12 PolarHBondContact O-N 3.2Å; Y9-K13 HydrophobicContact CE1-CD 4.32Å; Y9-K13 VanDerWaalsContact O-CB 3.26Å; Y9-K13 WeakPolarHBondContact O-CB 3.48Å; Y9-K13 PolarHBondContact O-N 2.92Å
10	Q	95.5	Very high	94.3	Very high	61 Å²	61	111.1 Å²	111.1	29%	0.285	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-38.6	177.6	-71.1	-65.4	-5.7	0	0	111.9	Y6 K7 E8 T14	Y6-Q10 HydrophobicContact CD1-CG 4.2Å; Y6-Q10 HydrophobicContact CE1-CG 3.77Å; Y6-Q10 HydrophobicContact CE2-CG 4.44Å; Y6-Q10 VanDerWaalsContact CZ-NE2 3.29Å; Y6-Q10 WeakPolarHBondContact O-CG 3.38Å; Y6-Q10 PolarHBondContact O-N 3.31Å; Y6-Q10 PolarHBondContact OH-NE2 3.44Å; K7-Q10 PolarHBondContact O-N 2.99Å; E8-Q10 PolarHBondContact O-N 3.4Å; Q10-T14 WeakPolarHBondContact O-CB 3.35Å; Q10-T14 PolarHBondContact O-N 3.27Å; Q10-T14 PolarHBondContact O-OG1 3.16Å
11	H	95.4	Very high	94.4	Very high	137 Å²	137	109.7 Å²	109.7	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-62.1	-50.6	174.6	-177.6	70.2	0	0	0	111.3	K7 E8 Y9 K13 T14 L15	K7-H11 WeakPolarHBondContact O-CB 3.39Å; K7-H11 PolarHBondContact O-N 2.89Å; E8-H11 WeakPolarHBondContact O-CB 3.36Å; E8-H11 PolarHBondContact O-N 3.23Å; Y9-H11 VanDerWaalsContact C-N 3.32Å; Y9-H11 PolarHBondContact O-N 2.97Å; H11-K13 PolarHBondContact O-N 3.23Å; H11-T14 WeakPolarHBondContact O-CB 3.34Å; H11-T14 PolarHBondContact O-N 2.91Å; H11-T14 VanDerWaalsContact O-N 3.16Å; H11-L15 PolarHBondContact O-N 3.04Å
12	E	95.4	Very high	95.2	Very high	87 Å²	87	104.3 Å²	104.3	41%	0.407	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-40.8	179	-166.2	-175.5	180	0	0	112.2	E8 Y9 T14 L15 R16	E8-E12 PolarHBondContact O-N 2.65Å; Y9-E12 PolarHBondContact O-N 3.2Å; E12-T14 VanDerWaalsContact C-N 3.29Å; E12-T14 PolarHBondContact O-N 3.39Å; E12-L15 PolarHBondContact O-N 3.01Å; E12-R16 WeakPolarHBondContact O-CB 3.47Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.47Å; E12-R16 IonicContact OE1-CZ 3.27Å; E12-R16 VanDerWaalsContact OE1-CZ 3.27Å; E12-R16 IonicContact OE1-NE 3.63Å; E12-R16 PolarHBondContact OE1-NE 2.85Å; E12-R16 IonicContact OE1-NH2 2.65Å; E12-R16 PolarHBondContact OE1-NH2 2.99Å; E12-R16 IonicContact OE2-NH2 3.84Å
13	K	95.9	Very high	95.5	Very high	81 Å²	81	104.4 Å²	104.4	35%	0.352	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-41.6	174.5	-178.9	178.9	179.6	179.2	0	111.6	Y9 H11 K17	Y9-K13 HydrophobicContact CE1-CD 4.32Å; Y9-K13 VanDerWaalsContact O-CB 3.26Å; Y9-K13 WeakPolarHBondContact O-CB 3.48Å; Y9-K13 PolarHBondContact O-N 2.92Å; H11-K13 PolarHBondContact O-N 3.23Å; K13-K17 WeakPolarHBondContact O-CG 3.43Å; K13-K17 PolarHBondContact O-N 3.46Å
14	T	96.1	Very high	95.8	Very high	88 Å²	88	104.9 Å²	104.9	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-67.7	-43.5	178.2	-57.2	0	0	0	0	110.7	Q10 H11 E12 K17 A18	Q10-T14 WeakPolarHBondContact O-CB 3.35Å; Q10-T14 PolarHBondContact O-N 3.27Å; Q10-T14 PolarHBondContact O-OG1 3.16Å; H11-T14 WeakPolarHBondContact O-CB 3.34Å; H11-T14 PolarHBondContact O-N 2.91Å; H11-T14 VanDerWaalsContact O-N 3.16Å; E12-T14 VanDerWaalsContact C-N 3.29Å; E12-T14 PolarHBondContact O-N 3.39Å; T14-K17 PolarHBondContact O-N 2.88Å; T14-A18 PolarHBondContact O-N 3.24Å
15	L	96.7	Very high	96	Very high	85 Å²	85	107.4 Å²	107.4	45%	0.445	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-47.1	175.3	-177	64.7	0	0	0	111.8	H11 E12 K17 A18 Q19	H11-L15 PolarHBondContact O-N 3.04Å; E12-L15 PolarHBondContact O-N 3.01Å; L15-K17 PolarHBondContact O-N 3.43Å; L15-A18 PolarHBondContact O-N 2.86Å; L15-Q19 WeakPolarHBondContact O-CG 3.44Å; L15-Q19 PolarHBondContact O-N 2.78Å
16	R	96.3	Very high	96.2	Very high	153 Å²	153	107.6 Å²	107.6	58%	0.577	50%	0.502	S	S	*	.	H	α-helix	trans	-62.3	-40.5	176.7	-71.7	178.8	-173.8	-171.5	2.2	112.3	E12 Q19 L20	E12-R16 WeakPolarHBondContact O-CB 3.47Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.47Å; E12-R16 IonicContact OE1-CZ 3.27Å; E12-R16 VanDerWaalsContact OE1-CZ 3.27Å; E12-R16 IonicContact OE1-NE 3.63Å; E12-R16 PolarHBondContact OE1-NE 2.85Å; E12-R16 IonicContact OE1-NH2 2.65Å; E12-R16 PolarHBondContact OE1-NH2 2.99Å; E12-R16 IonicContact OE2-NH2 3.84Å; R16-Q19 PolarHBondContact O-N 2.94Å; R16-L20 WeakPolarHBondContact O-CB 3.44Å; R16-L20 PolarHBondContact O-N 3.42Å
17	K	96.7	Very high	96.4	Very high	131 Å²	131	105.7 Å²	105.7	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-61.3	-45.6	173.6	-79.3	-176.3	175.6	-169.3	0	111.5	K13 T14 L15 L20 E21	K13-K17 WeakPolarHBondContact O-CG 3.43Å; K13-K17 PolarHBondContact O-N 3.46Å; T14-K17 PolarHBondContact O-N 2.88Å; L15-K17 PolarHBondContact O-N 3.43Å; K17-L20 PolarHBondContact O-N 2.94Å; K17-E21 WeakPolarHBondContact O-CG 3.26Å; K17-E21 PolarHBondContact O-N 3.49Å
18	A	96.5	Very high	96.5	Very high	52 Å²	52	104.2 Å²	104.2	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-60.7	-45.5	176.9	0	0	0	0	0	111.6	T14 L15 L20 E21 T22	T14-A18 PolarHBondContact O-N 3.24Å; L15-A18 PolarHBondContact O-N 2.86Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 2.92Å; A18-E21 PolarHBondContact O-N 3.43Å; A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 3.28Å; A18-T22 PolarHBondContact O-OG1 2.94Å
19	Q	97	Very high	96.7	Very high	96 Å²	96	102 Å²	102	45%	0.449	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-37.2	176	-71.6	174.4	-12.6	0	0	113.3	L15 R16 T22 K23	L15-Q19 WeakPolarHBondContact O-CG 3.44Å; L15-Q19 PolarHBondContact O-N 2.78Å; R16-Q19 PolarHBondContact O-N 2.94Å; Q19-T22 WeakPolarHBondContact CA-OG1 3.47Å; Q19-T22 PolarHBondContact O-OG1 3.22Å; Q19-K23 WeakPolarHBondContact O-CG 3.41Å; Q19-K23 PolarHBondContact O-N 3.07Å
20	L	97	Very high	96.8	Very high	95 Å²	95	98.8 Å²	98.8	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-66.7	-43.3	175.2	-179	63.5	0	0	0	110.9	R16 K17 A18 K23 K24	R16-L20 WeakPolarHBondContact O-CB 3.44Å; R16-L20 PolarHBondContact O-N 3.42Å; K17-L20 PolarHBondContact O-N 2.94Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 2.92Å; L20-K23 PolarHBondContact O-N 3.46Å; L20-K24 WeakPolarHBondContact O-CG 3.36Å; L20-K24 PolarHBondContact O-N 2.93Å
21	E	96.8	Very high	96.9	Very high	81 Å²	81	100 Å²	100	38%	0.379	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-38.3	177	-71.3	-56.6	127.6	0	0	112.2	K17 A18 K24 R25	K17-E21 WeakPolarHBondContact O-CG 3.26Å; K17-E21 PolarHBondContact O-N 3.49Å; A18-E21 PolarHBondContact O-N 3.43Å; E21-K24 PolarHBondContact O-N 3.32Å; E21-K24 IonicContact OE1-NZ 3.22Å; E21-K24 PolarHBondContact OE1-NZ 3.3Å; E21-R25 VanDerWaalsContact O-CG 3.3Å; E21-R25 WeakPolarHBondContact O-CG 3.3Å; E21-R25 PolarHBondContact O-N 2.99Å
22	T	97.1	Very high	97.1	Very high	78 Å²	78	97.9 Å²	97.9	48%	0.479	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-44.6	173.3	58.1	0	0	0	0	111.6	A18 Q19 K24 R25 T26	A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 3.28Å; A18-T22 PolarHBondContact O-OG1 2.94Å; Q19-T22 WeakPolarHBondContact CA-OG1 3.47Å; Q19-T22 PolarHBondContact O-OG1 3.22Å; T22-K24 PolarHBondContact O-N 3.11Å; T22-R25 PolarHBondContact O-N 3.41Å; T22-T26 PolarHBondContact O-N 3.33Å; T22-T26 PolarHBondContact O-OG1 2.82Å; T22-T26 VanDerWaalsContact O-OG1 3.11Å
23	K	97.3	Very high	97.2	Very high	147 Å²	147	99.6 Å²	99.6	64%	0.639	50%	0.498	S	S	*	.	H	α-helix	trans	-61.3	-42	176.7	-74.7	179.2	179.2	-175	0	112.4	Q19 L20 T26 M27	Q19-K23 WeakPolarHBondContact O-CG 3.41Å; Q19-K23 PolarHBondContact O-N 3.07Å; L20-K23 PolarHBondContact O-N 3.46Å; K23-T26 PolarHBondContact O-N 2.99Å; K23-M27 WeakPolarHBondContact O-CB 3.43Å; K23-M27 PolarHBondContact O-N 3.01Å
24	K	97.7	Very high	97.3	Very high	87 Å²	87	101.8 Å²	101.8	38%	0.378	51%	0.511	S	S	.	.	H	α-helix	trans	-60.2	-45.3	174.2	-75.5	177.7	-174.9	170	0	111.6	L20 E21 T22 M27 L28	L20-K24 WeakPolarHBondContact O-CG 3.36Å; L20-K24 PolarHBondContact O-N 2.93Å; E21-K24 PolarHBondContact O-N 3.32Å; E21-K24 IonicContact OE1-NZ 3.22Å; E21-K24 PolarHBondContact OE1-NZ 3.3Å; T22-K24 PolarHBondContact O-N 3.11Å; K24-M27 PolarHBondContact O-N 3.49Å; K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 3.34Å
25	R	97.5	Very high	97.4	Very high	167 Å²	167	101.2 Å²	101.2	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-60.7	-47.1	177.1	-72.2	173.7	-170.3	-179.6	1.5	111.6	E21 T22 M27 L28 V29	E21-R25 VanDerWaalsContact O-CG 3.3Å; E21-R25 WeakPolarHBondContact O-CG 3.3Å; E21-R25 PolarHBondContact O-N 2.99Å; T22-R25 PolarHBondContact O-N 3.41Å; R25-M27 VanDerWaalsContact C-N 3.33Å; R25-M27 PolarHBondContact O-N 3.45Å; R25-L28 PolarHBondContact O-N 2.91Å; R25-V29 WeakPolarHBondContact O-CG2 3.29Å; R25-V29 PolarHBondContact O-N 3.44Å
26	T	97.5	Very high	97.4	Very high	93 Å²	93	100.7 Å²	100.7	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-59.3	-45.1	176.3	-55.5	0	0	0	0	111.5	T22 K23 L28 V29 S30	T22-T26 PolarHBondContact O-N 3.33Å; T22-T26 PolarHBondContact O-OG1 2.82Å; T22-T26 VanDerWaalsContact O-OG1 3.11Å; K23-T26 PolarHBondContact O-N 2.99Å; T26-L28 PolarHBondContact O-N 3.27Å; T26-V29 PolarHBondContact O-N 3.35Å; T26-S30 PolarHBondContact O-N 3.32Å; T26-S30 PolarHBondContact O-OG 2.91Å
27	M	97.7	Very high	97.5	Very high	107 Å²	107	95.4 Å²	95.4	53%	0.527	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-44.3	177.2	-176.5	-170.6	75.2	0	0	112.1	K23 K24 R25 V29 S30 I31	K23-M27 WeakPolarHBondContact O-CB 3.43Å; K23-M27 PolarHBondContact O-N 3.01Å; K24-M27 PolarHBondContact O-N 3.49Å; R25-M27 VanDerWaalsContact C-N 3.33Å; R25-M27 PolarHBondContact O-N 3.45Å; M27-V29 VanDerWaalsContact C-N 3.35Å; M27-V29 PolarHBondContact O-N 2.93Å; M27-S30 PolarHBondContact O-N 2.99Å; M27-I31 HydrophobicContact CE-CD1 4.34Å; M27-I31 HydrophobicContact CG-CD1 3.92Å; M27-I31 VanDerWaalsContact O-CG1 3.29Å; M27-I31 WeakPolarHBondContact O-CG1 3.32Å; M27-I31 PolarHBondContact O-N 2.97Å
28	L	97.8	Very high	97.6	Very high	108 Å²	108	93.7 Å²	93.7	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-62.8	-40.9	178.3	-73	173.2	0	0	0	112.1	K24 R25 T26 I31 D32	K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 3.34Å; R25-L28 PolarHBondContact O-N 2.91Å; T26-L28 PolarHBondContact O-N 3.27Å; L28-I31 PolarHBondContact O-N 2.92Å; L28-D32 WeakPolarHBondContact O-CB 3.49Å; L28-D32 PolarHBondContact O-N 3.19Å
29	V	97.8	Very high	97.6	Very high	80 Å²	80	95.6 Å²	95.6	49%	0.485	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-46.8	175	172.7	0	0	0	0	110.7	R25 T26 M27 I31 D32 E33	R25-V29 WeakPolarHBondContact O-CG2 3.29Å; R25-V29 PolarHBondContact O-N 3.44Å; T26-V29 PolarHBondContact O-N 3.35Å; M27-V29 VanDerWaalsContact C-N 3.35Å; M27-V29 PolarHBondContact O-N 2.93Å; V29-I31 VanDerWaalsContact C-N 3.31Å; V29-I31 PolarHBondContact O-N 3.16Å; V29-D32 PolarHBondContact O-N 3.01Å; V29-E33 HydrophobicContact CG1-CG 4.44Å; V29-E33 WeakPolarHBondContact O-CG 3.48Å; V29-E33 PolarHBondContact O-N 2.87Å
30	S	97.7	Very high	97.7	Very high	61 Å²	61	94.8 Å²	94.8	43%	0.427	50%	0.499	S	S	.	.	H	α-helix	trans	-63.7	-34.5	177.8	-58.7	0	0	0	0	113.1	T26 M27 M34	T26-S30 PolarHBondContact O-N 3.32Å; T26-S30 PolarHBondContact O-OG 2.91Å; M27-S30 PolarHBondContact O-N 2.99Å; S30-M34 WeakPolarHBondContact O-CB 3.33Å; S30-M34 PolarHBondContact O-N 3.48Å
31	I	97.9	Very high	97.7	Very high	85 Å²	85	95 Å²	95	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-67.3	-42.3	174.2	-71.4	167.7	0	0	0	110.9	M27 L28 V29 M34 T35	M27-I31 HydrophobicContact CE-CD1 4.34Å; M27-I31 HydrophobicContact CG-CD1 3.92Å; M27-I31 VanDerWaalsContact O-CG1 3.29Å; M27-I31 WeakPolarHBondContact O-CG1 3.32Å; M27-I31 PolarHBondContact O-N 2.97Å; L28-I31 PolarHBondContact O-N 2.92Å; V29-I31 VanDerWaalsContact C-N 3.31Å; V29-I31 PolarHBondContact O-N 3.16Å; I31-M34 PolarHBondContact O-N 3.41Å; I31-T35 WeakPolarHBondContact O-CB 3.39Å; I31-T35 PolarHBondContact O-N 2.96Å; I31-T35 PolarHBondContact O-OG1 3.04Å
32	D	98	Very high	97.7	Very high	93 Å²	93	95.8 Å²	95.8	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-47.4	177.4	-175.1	69.7	0	0	0	111.2	L28 V29 M34 T35 N36	L28-D32 WeakPolarHBondContact O-CB 3.49Å; L28-D32 PolarHBondContact O-N 3.19Å; V29-D32 PolarHBondContact O-N 3.01Å; D32-M34 VanDerWaalsContact C-N 3.35Å; D32-M34 PolarHBondContact O-N 3.4Å; D32-T35 PolarHBondContact O-N 2.73Å; D32-N36 WeakPolarHBondContact O-CB 3.39Å; D32-N36 PolarHBondContact O-N 3.36Å; D32-N36 PolarHBondContact O-ND2 3.46Å; D32-N36 VanDerWaalsContact O-ND2 3.13Å; D32-N36 PolarHBondContact OD1-ND2 2.97Å; D32-N36 PolarHBondContact OD2-ND2 3.19Å
33	E	97.8	Very high	97.7	Very high	124 Å²	124	96.6 Å²	96.6	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-57.1	-46.1	174.5	-72.6	173.3	174.7	0	0	112	V29 G37	V29-E33 HydrophobicContact CG1-CG 4.44Å; V29-E33 WeakPolarHBondContact O-CG 3.48Å; V29-E33 PolarHBondContact O-N 2.87Å; E33-G37 PolarHBondContact O-N 2.93Å
34	M	97.9	Very high	97.8	Very high	127 Å²	127	93.5 Å²	93.5	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-62.8	-44.2	176.5	178.3	179.1	170	0	0	111.7	S30 I31 D32 G37 L38	S30-M34 WeakPolarHBondContact O-CB 3.33Å; S30-M34 PolarHBondContact O-N 3.48Å; I31-M34 PolarHBondContact O-N 3.41Å; D32-M34 VanDerWaalsContact C-N 3.35Å; D32-M34 PolarHBondContact O-N 3.4Å; M34-G37 PolarHBondContact O-N 3.41Å; M34-L38 HydrophobicContact CE-CD1 3.86Å; M34-L38 HydrophobicContact CG-CD1 4.17Å; M34-L38 WeakPolarHBondContact O-CB 3.34Å; M34-L38 WeakPolarHBondContact O-CG 3.34Å; M34-L38 PolarHBondContact O-N 2.88Å
35	T	98	Very high	97.8	Very high	76 Å²	76	93.2 Å²	93.2	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-45.3	-178.5	-56.6	0	0	0	0	110.9	I31 D32 G37 L38 L39	I31-T35 WeakPolarHBondContact O-CB 3.39Å; I31-T35 PolarHBondContact O-N 2.96Å; I31-T35 PolarHBondContact O-OG1 3.04Å; D32-T35 PolarHBondContact O-N 2.73Å; T35-G37 PolarHBondContact O-N 3.43Å; T35-L38 PolarHBondContact O-N 3.13Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 PolarHBondContact O-N 3.07Å
36	N	98	Very high	97.8	Very high	73 Å²	73	89.6 Å²	89.6	39%	0.39	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-39.3	177.1	-72.4	-36.6	0	0	0	112	D32 L39 T40	D32-N36 WeakPolarHBondContact O-CB 3.39Å; D32-N36 PolarHBondContact O-N 3.36Å; D32-N36 PolarHBondContact O-ND2 3.46Å; D32-N36 VanDerWaalsContact O-ND2 3.13Å; D32-N36 PolarHBondContact OD1-ND2 2.97Å; D32-N36 PolarHBondContact OD2-ND2 3.19Å; N36-L39 PolarHBondContact O-N 2.89Å; N36-T40 WeakPolarHBondContact O-CB 3.4Å; N36-T40 PolarHBondContact O-N 2.85Å; N36-T40 PolarHBondContact O-OG1 3.25Å
37	G	97.9	Very high	97.8	Very high	43 Å²	43	88.1 Å²	88.1	44%	0.443	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-43.3	174	0	0	0	0	0	112.9	E33 M34 T35 K41	E33-G37 PolarHBondContact O-N 2.93Å; M34-G37 PolarHBondContact O-N 3.41Å; T35-G37 PolarHBondContact O-N 3.43Å; G37-K41 PolarHBondContact O-N 2.95Å
38	L	97.9	Very high	97.9	Very high	95 Å²	95	88.4 Å²	88.4	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-42.1	175.5	-73.4	175.2	0	0	0	112.2	M34 T35 K41 I42	M34-L38 HydrophobicContact CE-CD1 3.86Å; M34-L38 HydrophobicContact CG-CD1 4.17Å; M34-L38 WeakPolarHBondContact O-CB 3.34Å; M34-L38 WeakPolarHBondContact O-CG 3.34Å; M34-L38 PolarHBondContact O-N 2.88Å; T35-L38 PolarHBondContact O-N 3.13Å; L38-K41 PolarHBondContact O-N 2.87Å; L38-I42 WeakPolarHBondContact O-CG1 3.37Å; L38-I42 PolarHBondContact O-N 3.19Å
39	L	98	Very high	97.9	Very high	92 Å²	92	86 Å²	86	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-48.4	177.7	-176	64.9	0	0	0	111	T35 N36 K41 I42 D43	T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 PolarHBondContact O-N 3.07Å; N36-L39 PolarHBondContact O-N 2.89Å; L39-K41 PolarHBondContact O-N 3.31Å; L39-I42 PolarHBondContact O-N 3.11Å; L39-I42 VanDerWaalsContact O-N 3.1Å; L39-D43 PolarHBondContact O-N 3.09Å
40	T	98	Very high	97.9	Very high	79 Å²	79	88.9 Å²	88.9	49%	0.485	48%	0.48	S	S	.	.	H	α-helix	trans	-56.4	-40.4	175.4	-58.3	0	0	0	0	110.9	N36 D43 E44	N36-T40 WeakPolarHBondContact O-CB 3.4Å; N36-T40 PolarHBondContact O-N 2.85Å; N36-T40 PolarHBondContact O-OG1 3.25Å; T40-D43 PolarHBondContact O-N 3.32Å; T40-E44 WeakPolarHBondContact O-CG 3.3Å; T40-E44 PolarHBondContact O-N 3.41Å
41	K	97.4	Very high	98	Very high	99 Å²	99	90.7 Å²	90.7	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-67.8	-39.2	179	-169.8	58.1	178.4	-180	0	113.2	G37 L38 L39 E44 N45	G37-K41 PolarHBondContact O-N 2.95Å; L38-K41 PolarHBondContact O-N 2.87Å; L39-K41 PolarHBondContact O-N 3.31Å; K41-E44 IonicContact NZ-OE2 2.64Å; K41-E44 PolarHBondContact NZ-OE2 3.38Å; K41-N45 VanDerWaalsContact O-CG 3.23Å; K41-N45 PolarHBondContact O-N 2.9Å; K41-N45 VanDerWaalsContact O-N 3.11Å; K41-N45 PolarHBondContact O-ND2 3.49Å
42	I	97.6	Very high	98	Very high	97 Å²	97	90.5 Å²	90.5	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-46.7	174.8	-70.1	168	0	0	0	109.4	L38 L39 E44 N45 V46	L38-I42 WeakPolarHBondContact O-CG1 3.37Å; L38-I42 PolarHBondContact O-N 3.19Å; L39-I42 PolarHBondContact O-N 3.11Å; L39-I42 VanDerWaalsContact O-N 3.1Å; I42-E44 PolarHBondContact O-N 2.96Å; I42-N45 PolarHBondContact O-N 2.84Å; I42-N45 VanDerWaalsContact O-N 3.09Å; I42-V46 HydrophobicContact CG2-CG2 4.13Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 3.44Å
43	D	97.4	Very high	98	Very high	95 Å²	95	91.5 Å²	91.5	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-60.3	-43.1	179.3	-70.2	-18.2	0	0	0	112.1	L39 T40 N45 V46 S47	L39-D43 PolarHBondContact O-N 3.09Å; T40-D43 PolarHBondContact O-N 3.32Å; D43-N45 VanDerWaalsContact C-N 3.34Å; D43-N45 PolarHBondContact O-N 3.1Å; D43-V46 PolarHBondContact O-N 3.37Å; D43-S47 VanDerWaalsContact O-CB 3.3Å; D43-S47 WeakPolarHBondContact O-CB 3.37Å; D43-S47 PolarHBondContact O-N 3.25Å
44	E	97.7	Very high	98	Very high	83 Å²	83	90 Å²	90	39%	0.388	48%	0.478	S	S	.	.	H	α-helix	trans	-57.2	-46.3	172.4	-77.7	179.4	-173.2	0	0	112.2	T40 K41 I42 S47 K48	T40-E44 WeakPolarHBondContact O-CG 3.3Å; T40-E44 PolarHBondContact O-N 3.41Å; K41-E44 IonicContact NZ-OE2 2.64Å; K41-E44 PolarHBondContact NZ-OE2 3.38Å; I42-E44 PolarHBondContact O-N 2.96Å; E44-S47 PolarHBondContact O-N 2.88Å; E44-K48 WeakPolarHBondContact O-CB 3.5Å; E44-K48 VanDerWaalsContact O-CG 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.38Å; E44-K48 PolarHBondContact O-N 2.93Å
45	N	98	Very high	98.1	Very high	81 Å²	81	90 Å²	90	43%	0.433	47%	0.472	S	S	.	.	H	α-helix	trans	-69.7	-39.7	-177	-71.8	-19.7	0	0	0	111.6	K41 I42 D43 K48 A49	K41-N45 VanDerWaalsContact O-CG 3.23Å; K41-N45 PolarHBondContact O-N 2.9Å; K41-N45 VanDerWaalsContact O-N 3.11Å; K41-N45 PolarHBondContact O-ND2 3.49Å; I42-N45 PolarHBondContact O-N 2.84Å; I42-N45 VanDerWaalsContact O-N 3.09Å; D43-N45 VanDerWaalsContact C-N 3.34Å; D43-N45 PolarHBondContact O-N 3.1Å; N45-K48 PolarHBondContact O-N 3.4Å; N45-A49 WeakPolarHBondContact O-CB 3.3Å; N45-A49 PolarHBondContact O-N 3.47Å
46	V	98.2	Very high	98.1	Very high	90 Å²	90	91 Å²	91	55%	0.545	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-44.8	174.8	171.8	0	0	0	0	110.2	I42 D43 K48 A49 Y50	I42-V46 HydrophobicContact CG2-CG2 4.13Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 3.44Å; D43-V46 PolarHBondContact O-N 3.37Å; V46-K48 PolarHBondContact O-N 3.47Å; V46-A49 PolarHBondContact O-N 2.89Å; V46-Y50 WeakPolarHBondContact O-CB 3.31Å; V46-Y50 PolarHBondContact O-N 3.49Å
47	S	98	Very high	98.1	Very high	63 Å²	63	91.3 Å²	91.3	44%	0.441	48%	0.475	S	S	.	.	H	α-helix	trans	-59.4	-45.6	175.3	-176.3	0	0	0	0	111.9	D43 E44 A49 Y50 I51	D43-S47 VanDerWaalsContact O-CB 3.3Å; D43-S47 WeakPolarHBondContact O-CB 3.37Å; D43-S47 PolarHBondContact O-N 3.25Å; E44-S47 PolarHBondContact O-N 2.88Å; S47-A49 PolarHBondContact O-N 2.89Å; S47-Y50 WeakPolarHBondContact O-CB 3.41Å; S47-Y50 PolarHBondContact O-N 3.44Å; S47-I51 WeakPolarHBondContact O-CG1 3.47Å; S47-I51 PolarHBondContact O-N 2.89Å
48	K	98.3	Very high	98.1	Very high	113 Å²	113	92.8 Å²	92.8	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-44	174.8	-74.4	174.4	-174.8	175.3	0	112.5	E44 N45 V46 Y50 I51 N52	E44-K48 WeakPolarHBondContact O-CB 3.5Å; E44-K48 VanDerWaalsContact O-CG 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.38Å; E44-K48 PolarHBondContact O-N 2.93Å; N45-K48 PolarHBondContact O-N 3.4Å; V46-K48 PolarHBondContact O-N 3.47Å; K48-Y50 VanDerWaalsContact C-N 3.31Å; K48-Y50 PolarHBondContact O-N 3.47Å; K48-I51 PolarHBondContact O-N 3.4Å; K48-N52 WeakPolarHBondContact O-CB 3.4Å; K48-N52 VanDerWaalsContact O-CG 3.24Å; K48-N52 PolarHBondContact O-N 2.96Å; K48-N52 PolarHBondContact O-ND2 3.29Å
49	A	98.5	Very high	98.2	Very high	57 Å²	57	92.3 Å²	92.3	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-61.4	-41.7	177.3	0	0	0	0	0	111.4	N45 V46 S47 N52 Q53	N45-A49 WeakPolarHBondContact O-CB 3.3Å; N45-A49 PolarHBondContact O-N 3.47Å; V46-A49 PolarHBondContact O-N 2.89Å; S47-A49 PolarHBondContact O-N 2.89Å; A49-N52 PolarHBondContact O-N 3.28Å; A49-Q53 WeakPolarHBondContact O-CB 3.35Å; A49-Q53 PolarHBondContact O-N 2.95Å
50	Y	98.5	Very high	98.2	Very high	140 Å²	140	93.9 Å²	93.9	55%	0.549	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-47.6	176.5	-175.8	-100.4	0	0	0	112.3	V46 S47 K48 N52 Q53 H54	V46-Y50 WeakPolarHBondContact O-CB 3.31Å; V46-Y50 PolarHBondContact O-N 3.49Å; S47-Y50 WeakPolarHBondContact O-CB 3.41Å; S47-Y50 PolarHBondContact O-N 3.44Å; K48-Y50 VanDerWaalsContact C-N 3.31Å; K48-Y50 PolarHBondContact O-N 3.47Å; Y50-N52 VanDerWaalsContact C-N 3.34Å; Y50-N52 PolarHBondContact O-N 2.86Å; Y50-Q53 PolarHBondContact O-N 2.97Å; Y50-H54 AromaticContact CD1-CD2 3.6Å; Y50-H54 AromaticContact CD1-NE2 3.93Å; Y50-H54 AromaticContact CE1-CD2 3.29Å; Y50-H54 WeakPolarHBondContact CE1-CD2 3.41Å; Y50-H54 AromaticContact CE1-NE2 3.19Å; Y50-H54 WeakPolarHBondContact CE1-NE2 3.31Å; Y50-H54 AromaticContact CE2-CD2 3.94Å; Y50-H54 AromaticContact CE2-NE2 3.41Å; Y50-H54 WeakPolarHBondContact CE2-NE2 3.45Å; Y50-H54 AromaticContact CZ-CD2 3.5Å; Y50-H54 AromaticContact CZ-NE2 2.9Å; Y50-H54 PolarHBondContact O-CD2 2.64Å; Y50-H54 VanDerWaalsContact O-CD2 3.27Å; Y50-H54 PolarHBondContact O-N 3.22Å; Y50-H54 PolarHBondContact OH-NE2 2.95Å
51	I	98.4	Very high	98.2	Very high	100 Å²	100	97.3 Å²	97.3	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-60.9	-44.7	176.3	-67.3	166.1	0	0	0	110.7	S47 K48 Q53 H54 R55	S47-I51 WeakPolarHBondContact O-CG1 3.47Å; S47-I51 PolarHBondContact O-N 2.89Å; K48-I51 PolarHBondContact O-N 3.4Å; I51-Q53 PolarHBondContact O-N 3.27Å; I51-H54 PolarHBondContact O-N 3.35Å; I51-R55 PolarHBondContact O-N 3.47Å
52	N	98.5	Very high	98.3	Very high	81 Å²	81	98.2 Å²	98.2	43%	0.433	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-42.2	177.4	-75	-20.7	0	0	0	112	K48 A49 Y50 R55 L56	K48-N52 WeakPolarHBondContact O-CB 3.4Å; K48-N52 VanDerWaalsContact O-CG 3.24Å; K48-N52 PolarHBondContact O-N 2.96Å; K48-N52 PolarHBondContact O-ND2 3.29Å; A49-N52 PolarHBondContact O-N 3.28Å; Y50-N52 VanDerWaalsContact C-N 3.34Å; Y50-N52 PolarHBondContact O-N 2.86Å; N52-R55 PolarHBondContact O-N 3.46Å; N52-L56 WeakPolarHBondContact O-CB 3.37Å; N52-L56 VanDerWaalsContact O-CG 3.31Å; N52-L56 WeakPolarHBondContact O-CG 3.19Å; N52-L56 PolarHBondContact O-N 3.38Å
53	Q	98.5	Very high	98.3	Very high	114 Å²	114	99 Å²	99	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-43.2	176.3	-175.6	-179.3	5.9	0	0	111.4	A49 Y50 I51 L56 N57	A49-Q53 WeakPolarHBondContact O-CB 3.35Å; A49-Q53 PolarHBondContact O-N 2.95Å; Y50-Q53 PolarHBondContact O-N 2.97Å; I51-Q53 PolarHBondContact O-N 3.27Å; Q53-L56 PolarHBondContact O-N 3.34Å; Q53-N57 WeakPolarHBondContact O-CB 3.29Å; Q53-N57 PolarHBondContact O-N 2.91Å; Q53-N57 PolarHBondContact O-ND2 2.99Å
54	H	98.4	Very high	98.4	Very high	91 Å²	91	98.7 Å²	98.7	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-63.3	-44	175.6	-84.6	-64.9	0	0	0	112.9	Y50 I51 N57 S58	Y50-H54 AromaticContact CD1-CD2 3.6Å; Y50-H54 AromaticContact CD1-NE2 3.93Å; Y50-H54 AromaticContact CE1-CD2 3.29Å; Y50-H54 WeakPolarHBondContact CE1-CD2 3.41Å; Y50-H54 AromaticContact CE1-NE2 3.19Å; Y50-H54 WeakPolarHBondContact CE1-NE2 3.31Å; Y50-H54 AromaticContact CE2-CD2 3.94Å; Y50-H54 AromaticContact CE2-NE2 3.41Å; Y50-H54 WeakPolarHBondContact CE2-NE2 3.45Å; Y50-H54 AromaticContact CZ-CD2 3.5Å; Y50-H54 AromaticContact CZ-NE2 2.9Å; Y50-H54 PolarHBondContact O-CD2 2.64Å; Y50-H54 VanDerWaalsContact O-CD2 3.27Å; Y50-H54 PolarHBondContact O-N 3.22Å; Y50-H54 PolarHBondContact OH-NE2 2.95Å; I51-H54 PolarHBondContact O-N 3.35Å; H54-N57 PolarHBondContact O-N 3.29Å; H54-S58 PolarHBondContact O-N 3.43Å
55	R	98.3	Very high	98.4	Very high	129 Å²	129	98.6 Å²	98.6	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-50	175.3	-173.5	179.5	66.9	88.2	0.8	111.2	I51 N52 N57 S58 E59	I51-R55 PolarHBondContact O-N 3.47Å; N52-R55 PolarHBondContact O-N 3.46Å; R55-N57 VanDerWaalsContact C-N 3.32Å; R55-N57 PolarHBondContact O-N 3.46Å; R55-S58 WeakPolarHBondContact O-CB 3.44Å; R55-S58 PolarHBondContact O-N 3.11Å; R55-S58 VanDerWaalsContact O-N 3.11Å; R55-E59 WeakPolarHBondContact CG-OE1 3.41Å; R55-E59 IonicContact CZ-OE1 3.2Å; R55-E59 VanDerWaalsContact NH1-CD 3.31Å; R55-E59 IonicContact NH1-OE1 2.89Å; R55-E59 PolarHBondContact NH1-OE1 3.38Å; R55-E59 IonicContact NH1-OE2 2.82Å; R55-E59 PolarHBondContact NH1-OE2 3.02Å; R55-E59 WeakPolarHBondContact O-CG 3.38Å; R55-E59 PolarHBondContact O-N 3.42Å
56	L	98.6	Very high	98.4	Very high	97 Å²	97	99.5 Å²	99.5	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-58.9	-41.3	177.4	-74.9	172.1	0	0	0	112.2	N52 Q53 S58 E59 F60	N52-L56 WeakPolarHBondContact O-CB 3.37Å; N52-L56 VanDerWaalsContact O-CG 3.31Å; N52-L56 WeakPolarHBondContact O-CG 3.19Å; N52-L56 PolarHBondContact O-N 3.38Å; Q53-L56 PolarHBondContact O-N 3.34Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-S58 PolarHBondContact O-N 2.87Å; L56-E59 PolarHBondContact O-N 3.21Å; L56-F60 VanDerWaalsContact O-CB 3.24Å; L56-F60 WeakPolarHBondContact O-CB 3.24Å; L56-F60 PolarHBondContact O-N 2.94Å
57	N	98.5	Very high	98.4	Very high	78 Å²	78	100.6 Å²	100.6	42%	0.417	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-38.2	176.4	-77.4	-22.3	0	0	0	112.3	Q53 H54 R55 K61	Q53-N57 WeakPolarHBondContact O-CB 3.29Å; Q53-N57 PolarHBondContact O-N 2.91Å; Q53-N57 PolarHBondContact O-ND2 2.99Å; H54-N57 PolarHBondContact O-N 3.29Å; R55-N57 VanDerWaalsContact C-N 3.32Å; R55-N57 PolarHBondContact O-N 3.46Å; N57-K61 WeakPolarHBondContact O-CG 3.41Å; N57-K61 PolarHBondContact O-N 3.46Å; N57-K61 VanDerWaalsContact O-N 3.11Å
58	S	98.2	Very high	98.4	Very high	75 Å²	75	102.6 Å²	102.6	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-49	175.9	-168.9	0	0	0	0	111.4	H54 R55 L56 F60 K61 E62	H54-S58 PolarHBondContact O-N 3.43Å; R55-S58 WeakPolarHBondContact O-CB 3.44Å; R55-S58 PolarHBondContact O-N 3.11Å; R55-S58 VanDerWaalsContact O-N 3.11Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-S58 PolarHBondContact O-N 2.87Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 3.34Å; S58-K61 PolarHBondContact O-N 3.02Å; S58-E62 PolarHBondContact O-N 3.38Å
59	E	98.4	Very high	98.4	Very high	84 Å²	84	100.3 Å²	100.3	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-39.5	177.7	-71.3	172.5	-177.6	0	0	111.6	R55 L56 E62 L63	R55-E59 WeakPolarHBondContact CG-OE1 3.41Å; R55-E59 IonicContact CZ-OE1 3.2Å; R55-E59 VanDerWaalsContact NH1-CD 3.31Å; R55-E59 IonicContact NH1-OE1 2.89Å; R55-E59 PolarHBondContact NH1-OE1 3.38Å; R55-E59 IonicContact NH1-OE2 2.82Å; R55-E59 PolarHBondContact NH1-OE2 3.02Å; R55-E59 WeakPolarHBondContact O-CG 3.38Å; R55-E59 PolarHBondContact O-N 3.42Å; L56-E59 PolarHBondContact O-N 3.21Å; E59-E62 PolarHBondContact O-N 2.9Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 PolarHBondContact O-N 3.25Å
60	F	98.4	Very high	98.4	Very high	126 Å²	126	104.7 Å²	104.7	55%	0.553	50%	0.502	S	S	*	.	H	α-helix	trans	-66	-40.5	176.6	-175	-106.5	0	0	0	112.7	L56 S58 L63 I64	L56-F60 VanDerWaalsContact O-CB 3.24Å; L56-F60 WeakPolarHBondContact O-CB 3.24Å; L56-F60 PolarHBondContact O-N 2.94Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 3.34Å; F60-L63 PolarHBondContact O-N 2.86Å; F60-I64 HydrophobicContact CD1-CD1 3.76Å; F60-I64 HydrophobicContact CE1-CD1 3.3Å; F60-I64 HydrophobicContact CE1-CG1 4.24Å; F60-I64 HydrophobicContact CZ-CD1 3.73Å; F60-I64 HydrophobicContact CZ-CG1 4.32Å; F60-I64 WeakPolarHBondContact O-CG1 3.35Å; F60-I64 PolarHBondContact O-N 3.39Å
61	K	98.5	Very high	98.4	Very high	150 Å²	150	103.1 Å²	103.1	65%	0.652	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-44.9	174.9	-76.5	176.6	-178	-178.9	0	111.4	N57 S58 L63 I64 T65	N57-K61 WeakPolarHBondContact O-CG 3.41Å; N57-K61 PolarHBondContact O-N 3.46Å; N57-K61 VanDerWaalsContact O-N 3.11Å; S58-K61 PolarHBondContact O-N 3.02Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-I64 PolarHBondContact O-N 3.31Å; K61-T65 PolarHBondContact O-N 3.44Å; K61-T65 VanDerWaalsContact O-N 3.1Å; K61-T65 PolarHBondContact O-OG1 3.01Å
62	E	98.5	Very high	98.4	Very high	119 Å²	119	101.7 Å²	101.7	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-60.3	-45.6	175.8	-175.4	175.2	-178.9	0	0	111.1	S58 E59 I64 T65 Q66	S58-E62 PolarHBondContact O-N 3.38Å; E59-E62 PolarHBondContact O-N 2.9Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 3.11Å; E62-T65 WeakPolarHBondContact O-CB 3.34Å; E62-T65 PolarHBondContact O-N 3Å; E62-T65 VanDerWaalsContact O-N 3.13Å; E62-Q66 WeakPolarHBondContact O-CG 3.37Å; E62-Q66 PolarHBondContact O-N 3.48Å
63	L	98.6	Very high	98.4	Very high	112 Å²	112	102.9 Å²	102.9	59%	0.586	50%	0.496	S	S	*	.	H	α-helix	trans	-57.9	-43.2	176.8	-179.3	62.8	0	0	0	112.4	E59 F60 K61 Q66 L67	E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 PolarHBondContact O-N 3.25Å; F60-L63 PolarHBondContact O-N 2.86Å; K61-L63 VanDerWaalsContact C-N 3.34Å; L63-Q66 PolarHBondContact O-N 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 PolarHBondContact O-N 3.06Å
64	I	98.5	Very high	98.4	Very high	89 Å²	89	100 Å²	100	46%	0.456	49%	0.486	S	S	.	.	H	α-helix	trans	-61.1	-44.9	175.7	-72.6	171.1	0	0	0	111	F60 K61 E62 Q66 L67 H68	F60-I64 HydrophobicContact CD1-CD1 3.76Å; F60-I64 HydrophobicContact CE1-CD1 3.3Å; F60-I64 HydrophobicContact CE1-CG1 4.24Å; F60-I64 HydrophobicContact CZ-CD1 3.73Å; F60-I64 HydrophobicContact CZ-CG1 4.32Å; F60-I64 WeakPolarHBondContact O-CG1 3.35Å; F60-I64 PolarHBondContact O-N 3.39Å; K61-I64 PolarHBondContact O-N 3.31Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 3.11Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 2.88Å; I64-L67 PolarHBondContact O-N 3.13Å; I64-H68 PolarHBondContact O-N 3.32Å
65	T	98.4	Very high	98.4	Very high	81 Å²	81	99.8 Å²	99.8	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-60.1	-45.6	177	-60.1	0	0	0	0	111.1	K61 E62 L67 H68 I69	K61-T65 PolarHBondContact O-N 3.44Å; K61-T65 VanDerWaalsContact O-N 3.1Å; K61-T65 PolarHBondContact O-OG1 3.01Å; E62-T65 WeakPolarHBondContact O-CB 3.34Å; E62-T65 PolarHBondContact O-N 3Å; E62-T65 VanDerWaalsContact O-N 3.13Å; T65-L67 PolarHBondContact O-N 3.38Å; T65-H68 PolarHBondContact O-N 2.88Å; T65-I69 HydrophobicContact CG2-CD1 4.11Å; T65-I69 WeakPolarHBondContact O-CG1 3.38Å; T65-I69 PolarHBondContact O-N 3.29Å
66	Q	98.4	Very high	98.4	Very high	100 Å²	100	98.1 Å²	98.1	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-40	177.3	-64.9	-54.9	-29.5	0	0	112.3	E62 L63 I64 H68 I69 Y70	E62-Q66 WeakPolarHBondContact O-CG 3.37Å; E62-Q66 PolarHBondContact O-N 3.48Å; L63-Q66 PolarHBondContact O-N 3.3Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 2.88Å; Q66-H68 VanDerWaalsContact C-N 3.32Å; Q66-H68 PolarHBondContact O-N 3.48Å; Q66-I69 PolarHBondContact O-N 3.33Å; Q66-Y70 WeakPolarHBondContact O-CB 3.45Å; Q66-Y70 PolarHBondContact O-N 2.92Å
67	L	98.4	Very high	98.4	Very high	113 Å²	113	102.5 Å²	102.5	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-62.5	-39.9	176.7	-175.7	63.4	0	0	0	111.7	L63 I64 T65 Y70 Q71	L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 PolarHBondContact O-N 3.06Å; I64-L67 PolarHBondContact O-N 3.13Å; T65-L67 PolarHBondContact O-N 3.38Å; L67-Y70 PolarHBondContact O-N 3.45Å; L67-Q71 WeakPolarHBondContact O-CB 3.4Å; L67-Q71 PolarHBondContact O-N 3.1Å
68	H	98.4	Very high	98.4	Very high	106 Å²	106	104 Å²	104	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-42.2	176.3	-173.2	59.6	0	0	0	112.3	I64 T65 Q66 Y70 Q71 N72	I64-H68 PolarHBondContact O-N 3.32Å; T65-H68 PolarHBondContact O-N 2.88Å; Q66-H68 VanDerWaalsContact C-N 3.32Å; Q66-H68 PolarHBondContact O-N 3.48Å; H68-Y70 VanDerWaalsContact C-N 3.34Å; H68-Y70 PolarHBondContact O-N 3.36Å; H68-Q71 PolarHBondContact O-N 3.17Å; H68-N72 PolarHBondContact NE2-ND2 2.89Å; H68-N72 PolarHBondContact O-N 2.95Å; H68-N72 PolarHBondContact O-ND2 3.5Å
69	I	98.4	Very high	98.4	Very high	64 Å²	64	106.9 Å²	106.9	33%	0.328	51%	0.512	S	S	.	.	H	α-helix	trans	-60.6	-45.9	173.6	-67	166.4	0	0	0	110.3	T65 Q66 Q71 N72 H73	T65-I69 HydrophobicContact CG2-CD1 4.11Å; T65-I69 WeakPolarHBondContact O-CG1 3.38Å; T65-I69 PolarHBondContact O-N 3.29Å; Q66-I69 PolarHBondContact O-N 3.33Å; I69-Q71 VanDerWaalsContact C-N 3.35Å; I69-Q71 PolarHBondContact O-N 3.38Å; I69-N72 WeakPolarHBondContact O-CB 3.43Å; I69-N72 PolarHBondContact O-N 3.15Å; I69-N72 VanDerWaalsContact O-N 3.15Å; I69-H73 PolarHBondContact O-N 3.25Å
70	Y	98.2	Very high	98.4	Very high	150 Å²	150	107.7 Å²	107.7	59%	0.588	52%	0.519	S	S	*	.	H	α-helix	trans	-61.5	-42.1	178	-175.3	-100.4	0	0	0	112	Q66 L67 H68 N72 H73 V74	Q66-Y70 WeakPolarHBondContact O-CB 3.45Å; Q66-Y70 PolarHBondContact O-N 2.92Å; L67-Y70 PolarHBondContact O-N 3.45Å; H68-Y70 VanDerWaalsContact C-N 3.34Å; H68-Y70 PolarHBondContact O-N 3.36Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.47Å; Y70-H73 WeakPolarHBondContact O-CB 3.42Å; Y70-H73 PolarHBondContact O-N 3.32Å; Y70-H73 VanDerWaalsContact O-N 3.17Å; Y70-V74 HydrophobicContact CD1-CG2 4.1Å; Y70-V74 HydrophobicContact CE1-CG2 3.7Å; Y70-V74 WeakPolarHBondContact O-CG2 3.36Å; Y70-V74 PolarHBondContact O-N 2.92Å
71	Q	98.5	Very high	98.4	Very high	106 Å²	106	105.9 Å²	105.9	50%	0.495	52%	0.518	S	S	.	.	H	α-helix	trans	-59.2	-41.9	174	-173.9	-179.9	9.4	0	0	111.8	L67 H68 I69 V74 N75	L67-Q71 WeakPolarHBondContact O-CB 3.4Å; L67-Q71 PolarHBondContact O-N 3.1Å; H68-Q71 PolarHBondContact O-N 3.17Å; I69-Q71 VanDerWaalsContact C-N 3.35Å; I69-Q71 PolarHBondContact O-N 3.38Å; Q71-V74 PolarHBondContact O-N 3.41Å; Q71-N75 PolarHBondContact O-N 3.03Å; Q71-N75 PolarHBondContact O-ND2 3.34Å
72	N	98.3	Very high	98.4	Very high	71 Å²	71	100.4 Å²	100.4	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-41.9	175.1	-69	-26.8	0	0	0	111.6	H68 I69 Y70 N75 V76	H68-N72 PolarHBondContact NE2-ND2 2.89Å; H68-N72 PolarHBondContact O-N 2.95Å; H68-N72 PolarHBondContact O-ND2 3.5Å; I69-N72 WeakPolarHBondContact O-CB 3.43Å; I69-N72 PolarHBondContact O-N 3.15Å; I69-N72 VanDerWaalsContact O-N 3.15Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.47Å; N72-N75 PolarHBondContact O-N 3.36Å; N72-V76 WeakPolarHBondContact O-CG2 3.3Å; N72-V76 PolarHBondContact O-N 3.48Å
73	H	98.4	Very high	98.4	Very high	105 Å²	105	98.2 Å²	98.2	49%	0.486	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-47.2	173.7	-66.2	168.6	0	0	0	111.8	I69 Y70 N75 V76 W77	I69-H73 PolarHBondContact O-N 3.25Å; Y70-H73 WeakPolarHBondContact O-CB 3.42Å; Y70-H73 PolarHBondContact O-N 3.32Å; Y70-H73 VanDerWaalsContact O-N 3.17Å; H73-N75 VanDerWaalsContact C-N 3.28Å; H73-N75 PolarHBondContact O-N 2.9Å; H73-V76 WeakPolarHBondContact O-CB 3.4Å; H73-V76 PolarHBondContact O-N 3.1Å; H73-V76 VanDerWaalsContact O-N 3.1Å; H73-W77 PolarHBondContact O-N 3.31Å
74	V	98.5	Very high	98.4	Very high	55 Å²	55	97.7 Å²	97.7	33%	0.333	49%	0.487	S	S	.	.	H	α-helix	trans	-57	-42.7	177.4	171.4	0	0	0	0	111.3	Y70 Q71 V76 W77 L78	Y70-V74 HydrophobicContact CD1-CG2 4.1Å; Y70-V74 HydrophobicContact CE1-CG2 3.7Å; Y70-V74 WeakPolarHBondContact O-CG2 3.36Å; Y70-V74 PolarHBondContact O-N 2.92Å; Q71-V74 PolarHBondContact O-N 3.41Å; V74-V76 PolarHBondContact O-N 3.34Å; V74-W77 PolarHBondContact O-N 3.03Å; V74-L78 HydrophobicContact CG1-CD1 4.12Å; V74-L78 HydrophobicContact CG1-CG 4.41Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.48Å
75	N	98.4	Very high	98.3	Very high	85 Å²	85	99.3 Å²	99.3	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-63	-40.8	176.7	-70.7	-27.7	0	0	0	112.6	Q71 N72 H73 W77 L78 K79	Q71-N75 PolarHBondContact O-N 3.03Å; Q71-N75 PolarHBondContact O-ND2 3.34Å; N72-N75 PolarHBondContact O-N 3.36Å; H73-N75 VanDerWaalsContact C-N 3.28Å; H73-N75 PolarHBondContact O-N 2.9Å; N75-W77 VanDerWaalsContact C-N 3.35Å; N75-L78 PolarHBondContact O-N 2.92Å; N75-K79 PolarHBondContact O-N 2.9Å
76	V	98.4	Very high	98.3	Very high	94 Å²	94	98.5 Å²	98.5	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-62.8	-42.8	174.7	171.3	0	0	0	0	111	N72 H73 V74 K79 L80	N72-V76 WeakPolarHBondContact O-CG2 3.3Å; N72-V76 PolarHBondContact O-N 3.48Å; H73-V76 WeakPolarHBondContact O-CB 3.4Å; H73-V76 PolarHBondContact O-N 3.1Å; H73-V76 VanDerWaalsContact O-N 3.1Å; V74-V76 PolarHBondContact O-N 3.34Å; V76-K79 WeakPolarHBondContact O-CB 3.48Å; V76-K79 PolarHBondContact O-N 3.26Å; V76-L80 PolarHBondContact O-N 3.43Å
77	W	98.5	Very high	98.3	Very high	189 Å²	189	98.2 Å²	98.2	72%	0.716	49%	0.485	S	S	*	.	H	α-helix	trans	-66.4	-41.1	178.9	-75.6	48.2	0	0	0	111.8	H73 V74 N75 K79 L80 V81	H73-W77 PolarHBondContact O-N 3.31Å; V74-W77 PolarHBondContact O-N 3.03Å; N75-W77 VanDerWaalsContact C-N 3.35Å; W77-K79 VanDerWaalsContact C-N 3.3Å; W77-K79 PolarHBondContact O-N 3.45Å; W77-L80 PolarHBondContact O-N 3.27Å; W77-V81 WeakPolarHBondContact O-CG2 3.35Å; W77-V81 PolarHBondContact O-N 3.31Å
78	L	98.4	Very high	98.3	Very high	109 Å²	109	98.6 Å²	98.6	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-60.6	-40.5	173.6	-74.5	173.1	0	0	0	111.9	V74 N75 V81 S82	V74-L78 HydrophobicContact CG1-CD1 4.12Å; V74-L78 HydrophobicContact CG1-CG 4.41Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.48Å; N75-L78 PolarHBondContact O-N 2.92Å; L78-V81 PolarHBondContact O-N 2.98Å; L78-S82 WeakPolarHBondContact O-CB 3.46Å; L78-S82 PolarHBondContact O-N 3.04Å
79	K	98.3	Very high	98.2	Very high	137 Å²	137	99.7 Å²	99.7	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-62	-48.9	173.8	-175.3	179.5	176.6	-176.3	0	111.1	N75 V76 W77 V81 S82 D83	N75-K79 PolarHBondContact O-N 2.9Å; V76-K79 WeakPolarHBondContact O-CB 3.48Å; V76-K79 PolarHBondContact O-N 3.26Å; W77-K79 VanDerWaalsContact C-N 3.3Å; W77-K79 PolarHBondContact O-N 3.45Å; K79-V81 VanDerWaalsContact C-N 3.32Å; K79-V81 PolarHBondContact O-N 2.98Å; K79-S82 CarbonylContact O-C 3.59Å; K79-S82 WeakPolarHBondContact O-CA 3.33Å; K79-S82 VanDerWaalsContact O-CB 3.31Å; K79-S82 WeakPolarHBondContact O-CB 3.46Å; K79-S82 PolarHBondContact O-N 3.24Å; K79-D83 VanDerWaalsContact O-CG 3.26Å; K79-D83 PolarHBondContact O-N 2.93Å
80	L	98.4	Very high	98.2	Very high	100 Å²	100	102.5 Å²	102.5	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-58	-43.7	178.1	-179.4	64.6	0	0	0	112.1	V76 W77 S82 D83 I84	V76-L80 PolarHBondContact O-N 3.43Å; W77-L80 PolarHBondContact O-N 3.27Å; L80-S82 VanDerWaalsContact C-N 3.31Å; L80-S82 PolarHBondContact O-N 3.02Å; L80-D83 PolarHBondContact O-N 3.45Å; L80-I84 HydrophobicContact CD1-CD1 4.24Å; L80-I84 HydrophobicContact CD1-CG1 4.44Å; L80-I84 HydrophobicContact CG-CD1 3.98Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.31Å; L80-I84 PolarHBondContact O-N 3.05Å
81	V	98.3	Very high	98.1	Very high	88 Å²	88	100.6 Å²	100.6	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-39.5	175.8	171.1	0	0	0	0	111.2	W77 L78 K79 R85	W77-V81 WeakPolarHBondContact O-CG2 3.35Å; W77-V81 PolarHBondContact O-N 3.31Å; L78-V81 PolarHBondContact O-N 2.98Å; K79-V81 VanDerWaalsContact C-N 3.32Å; K79-V81 PolarHBondContact O-N 2.98Å; V81-R85 WeakPolarHBondContact O-CB 3.47Å; V81-R85 PolarHBondContact O-N 2.85Å
82	S	98.3	Very high	98	Very high	35 Å²	35	97 Å²	97	25%	0.245	49%	0.493	C	S	.	.	H	α-helix	trans	-63.7	-42.8	174.7	-176.1	0	0	0	0	112.2	L78 K79 L80 R85 N86	L78-S82 WeakPolarHBondContact O-CB 3.46Å; L78-S82 PolarHBondContact O-N 3.04Å; K79-S82 CarbonylContact O-C 3.59Å; K79-S82 WeakPolarHBondContact O-CA 3.33Å; K79-S82 VanDerWaalsContact O-CB 3.31Å; K79-S82 WeakPolarHBondContact O-CB 3.46Å; K79-S82 PolarHBondContact O-N 3.24Å; L80-S82 VanDerWaalsContact C-N 3.31Å; L80-S82 PolarHBondContact O-N 3.02Å; S82-R85 PolarHBondContact O-N 3.34Å; S82-R85 PolarHBondContact OG-NH2 2.94Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 3.38Å
83	D	98.3	Very high	98	Very high	73 Å²	73	98.1 Å²	98.1	39%	0.39	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-46.2	179.5	-65.3	-16.3	0	0	0	110.5	K79 L80 R85 N86 V87	K79-D83 VanDerWaalsContact O-CG 3.26Å; K79-D83 PolarHBondContact O-N 2.93Å; L80-D83 PolarHBondContact O-N 3.45Å; D83-R85 VanDerWaalsContact C-N 3.32Å; D83-R85 PolarHBondContact O-N 3.01Å; D83-N86 PolarHBondContact O-N 3.13Å; D83-N86 VanDerWaalsContact O-N 3.13Å; D83-V87 WeakPolarHBondContact O-CG2 3.47Å; D83-V87 PolarHBondContact O-N 3.39Å
84	I	98.1	Very high	97.9	Very high	101 Å²	101	97.7 Å²	97.7	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-58.1	-44.4	174	-70.1	168.1	0	0	0	111.1	L80 N86 V87 L88	L80-I84 HydrophobicContact CD1-CD1 4.24Å; L80-I84 HydrophobicContact CD1-CG1 4.44Å; L80-I84 HydrophobicContact CG-CD1 3.98Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.31Å; L80-I84 PolarHBondContact O-N 3.05Å; I84-N86 VanDerWaalsContact C-N 3.28Å; I84-N86 PolarHBondContact O-N 3.33Å; I84-V87 PolarHBondContact O-N 3.36Å; I84-L88 WeakPolarHBondContact O-CB 3.46Å; I84-L88 PolarHBondContact O-N 3.17Å
85	R	97.9	Very high	97.8	Very high	124 Å²	124	101.2 Å²	101.2	47%	0.468	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-38	177.9	-178.5	-173.8	63.1	-130.2	-7	111.8	V81 S82 D83 K89	V81-R85 WeakPolarHBondContact O-CB 3.47Å; V81-R85 PolarHBondContact O-N 2.85Å; S82-R85 PolarHBondContact O-N 3.34Å; S82-R85 PolarHBondContact OG-NH2 2.94Å; D83-R85 VanDerWaalsContact C-N 3.32Å; D83-R85 PolarHBondContact O-N 3.01Å; R85-K89 WeakPolarHBondContact O-CG 3.5Å; R85-K89 PolarHBondContact O-N 3.48Å; R85-K89 VanDerWaalsContact O-N 3.17Å
86	N	98	Very high	97.8	Very high	64 Å²	64	101 Å²	101	34%	0.342	52%	0.521	S	S	.	.	H	α-helix	trans	-68.7	-45.7	177.7	-69.4	-15	0	0	0	111.3	S82 D83 I84 L88 K89 E90	S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 3.38Å; D83-N86 PolarHBondContact O-N 3.13Å; D83-N86 VanDerWaalsContact O-N 3.13Å; I84-N86 VanDerWaalsContact C-N 3.28Å; I84-N86 PolarHBondContact O-N 3.33Å; N86-L88 VanDerWaalsContact C-N 3.27Å; N86-L88 PolarHBondContact O-N 3.04Å; N86-K89 WeakPolarHBondContact O-CB 3.45Å; N86-K89 PolarHBondContact O-N 3.04Å; N86-K89 VanDerWaalsContact O-N 3.07Å; N86-E90 PolarHBondContact O-N 2.96Å
87	V	97.9	Very high	97.7	Very high	93 Å²	93	106 Å²	106	56%	0.564	53%	0.53	S	S	*	.	H	α-helix	trans	-58.6	-40.1	175.3	173.3	0	0	0	0	111.5	D83 I84 K89 E90 L91	D83-V87 WeakPolarHBondContact O-CG2 3.47Å; D83-V87 PolarHBondContact O-N 3.39Å; I84-V87 PolarHBondContact O-N 3.36Å; V87-K89 VanDerWaalsContact C-N 3.33Å; V87-K89 PolarHBondContact O-N 2.88Å; V87-E90 PolarHBondContact O-N 3.06Å; V87-L91 PolarHBondContact O-N 3.01Å
88	L	97.7	Very high	97.7	Very high	121 Å²	121	100.6 Å²	100.6	63%	0.634	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-35.1	177.1	-175.3	61.1	0	0	0	112.6	I84 N86 G92	I84-L88 WeakPolarHBondContact O-CB 3.46Å; I84-L88 PolarHBondContact O-N 3.17Å; N86-L88 VanDerWaalsContact C-N 3.27Å; N86-L88 PolarHBondContact O-N 3.04Å; L88-G92 PolarHBondContact O-N 3.24Å
89	K	97.6	Very high	97.6	Very high	129 Å²	129	100 Å²	100	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-64.7	-47.7	173	-73.8	178.6	176.1	-173.3	0	111.3	R85 N86 V87 L91 G92 D93	R85-K89 WeakPolarHBondContact O-CG 3.5Å; R85-K89 PolarHBondContact O-N 3.48Å; R85-K89 VanDerWaalsContact O-N 3.17Å; N86-K89 WeakPolarHBondContact O-CB 3.45Å; N86-K89 PolarHBondContact O-N 3.04Å; N86-K89 VanDerWaalsContact O-N 3.07Å; V87-K89 VanDerWaalsContact C-N 3.33Å; V87-K89 PolarHBondContact O-N 2.88Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 3.45Å; K89-G92 CarbonylContact O-C 3.6Å; K89-G92 PolarHBondContact O-N 2.98Å; K89-G92 VanDerWaalsContact O-N 3.11Å; K89-D93 PolarHBondContact O-N 3.26Å
90	E	96.9	Very high	97.6	Very high	123 Å²	123	99.1 Å²	99.1	58%	0.575	51%	0.512	S	S	*	.	H	α-helix	trans	-59.4	-39.4	178.2	-68.6	173.3	-171.3	0	0	111.6	N86 V87 D93 V94	N86-E90 PolarHBondContact O-N 2.96Å; V87-E90 PolarHBondContact O-N 3.06Å; E90-D93 WeakPolarHBondContact O-CB 3.42Å; E90-D93 PolarHBondContact O-N 3.35Å; E90-V94 WeakPolarHBondContact O-CG2 3.39Å; E90-V94 PolarHBondContact O-N 3.34Å
91	L	97	Very high	97.5	Very high	111 Å²	111	101.3 Å²	101.3	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-63.6	-44	174.2	-176.6	63.7	0	0	0	112.1	V87 K89 D93 V94 E95	V87-L91 PolarHBondContact O-N 3.01Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 3.45Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 3.32Å; L91-V94 PolarHBondContact O-N 3.03Å; L91-E95 PolarHBondContact O-N 3.07Å
92	G	97.3	Very high	97.5	Very high	31 Å²	31	102.4 Å²	102.4	32%	0.32	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-34.7	175.6	0	0	0	0	0	112.9	L88 K89 E95 C96	L88-G92 PolarHBondContact O-N 3.24Å; K89-G92 CarbonylContact O-C 3.6Å; K89-G92 PolarHBondContact O-N 2.98Å; K89-G92 VanDerWaalsContact O-N 3.11Å; G92-E95 PolarHBondContact O-N 3.46Å; G92-C96 PolarHBondContact O-N 2.85Å; G92-C96 VanDerWaalsContact O-N 3.08Å
93	D	97.5	Very high	97.5	Very high	94 Å²	94	105.9 Å²	105.9	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-61.5	-52	171.1	-68.5	-27.7	0	0	0	109.3	K89 E90 L91 E95 C96 W97	K89-D93 PolarHBondContact O-N 3.26Å; E90-D93 WeakPolarHBondContact O-CB 3.42Å; E90-D93 PolarHBondContact O-N 3.35Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 3.32Å; D93-E95 VanDerWaalsContact C-N 3.28Å; D93-E95 PolarHBondContact O-N 3.08Å; D93-C96 WeakPolarHBondContact O-CA 3.42Å; D93-C96 VanDerWaalsContact O-CB 3.32Å; D93-C96 WeakPolarHBondContact O-CB 3.4Å; D93-C96 PolarHBondContact O-N 3.11Å; D93-W97 PolarHBondContact O-N 3.5Å
94	V	96.6	Very high	97.5	Very high	96 Å²	96	106 Å²	106	58%	0.582	53%	0.534	S	S	*	.	H	α-helix	trans	-54.7	-41.8	178.4	172.6	0	0	0	0	112.6	E90 L91 W97 S98	E90-V94 WeakPolarHBondContact O-CG2 3.39Å; E90-V94 PolarHBondContact O-N 3.34Å; L91-V94 PolarHBondContact O-N 3.03Å; V94-W97 PolarHBondContact O-N 3.39Å; V94-S98 WeakPolarHBondContact O-CB 3.32Å; V94-S98 PolarHBondContact O-N 3.31Å
95	E	96.9	Very high	97.4	Very high	129 Å²	129	103.9 Å²	103.9	60%	0.603	53%	0.531	S	S	*	.	H	α-helix	trans	-59.2	-47.6	174.5	-176	179.1	-172.9	0	0	111.6	L91 G92 D93 W97 S98 M99	L91-E95 PolarHBondContact O-N 3.07Å; G92-E95 PolarHBondContact O-N 3.46Å; D93-E95 VanDerWaalsContact C-N 3.28Å; D93-E95 PolarHBondContact O-N 3.08Å; E95-W97 PolarHBondContact O-N 2.99Å; E95-S98 PolarHBondContact O-N 3.47Å; E95-M99 HydrophobicContact CG-SD 4.49Å; E95-M99 WeakPolarHBondContact O-CG 3.45Å; E95-M99 PolarHBondContact O-N 3.23Å
96	C	96.9	Very high	97.4	Very high	81 Å²	81	103.2 Å²	103.2	55%	0.547	54%	0.535	S	S	.	.	H	α-helix	trans	-59.8	-45	177.1	-176.1	0	0	0	0	112.3	G92 D93 M99 K100	G92-C96 PolarHBondContact O-N 2.85Å; G92-C96 VanDerWaalsContact O-N 3.08Å; D93-C96 WeakPolarHBondContact O-CA 3.42Å; D93-C96 VanDerWaalsContact O-CB 3.32Å; D93-C96 WeakPolarHBondContact O-CB 3.4Å; D93-C96 PolarHBondContact O-N 3.11Å; C96-M99 PolarHBondContact O-N 2.97Å; C96-K100 PolarHBondContact O-N 3.34Å
97	W	97	Very high	97.4	Very high	198 Å²	198	105.5 Å²	105.5	75%	0.75	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-40.6	176.9	-77.9	81.3	0	0	0	111.9	D93 V94 E95 K100 M101	D93-W97 PolarHBondContact O-N 3.5Å; V94-W97 PolarHBondContact O-N 3.39Å; E95-W97 PolarHBondContact O-N 2.99Å; W97-K100 PolarHBondContact O-N 2.95Å; W97-M101 WeakPolarHBondContact O-CB 3.47Å; W97-M101 PolarHBondContact O-N 3.41Å
98	S	97.8	Very high	97.4	Very high	75 Å²	75	106 Å²	106	52%	0.524	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.3	-172.4	0	0	0	0	111.9	V94 E95 K100 M101 E102	V94-S98 WeakPolarHBondContact O-CB 3.32Å; V94-S98 PolarHBondContact O-N 3.31Å; E95-S98 PolarHBondContact O-N 3.47Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 3.48Å; S98-M101 PolarHBondContact O-N 2.93Å; S98-E102 PolarHBondContact O-N 3.31Å
99	M	97.7	Very high	97.4	Very high	97 Å²	97	104.1 Å²	104.1	48%	0.478	54%	0.536	S	S	.	.	H	α-helix	trans	-62.5	-41	176.1	-71.8	176.5	64.7	0	0	112	E95 C96 E102 Q103	E95-M99 HydrophobicContact CG-SD 4.49Å; E95-M99 WeakPolarHBondContact O-CG 3.45Å; E95-M99 PolarHBondContact O-N 3.23Å; C96-M99 PolarHBondContact O-N 2.97Å; M99-E102 PolarHBondContact O-N 3.03Å; M99-Q103 WeakPolarHBondContact O-CG 3.39Å; M99-Q103 PolarHBondContact O-N 2.93Å
100	K	97.6	Very high	97.3	Very high	118 Å²	118	101 Å²	101	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.4	-171.4	74	-174.8	173.8	0	111.2	C96 W97 S98 E102 Q103 D104	C96-K100 PolarHBondContact O-N 3.34Å; W97-K100 PolarHBondContact O-N 2.95Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 3.48Å; K100-E102 PolarHBondContact O-N 3.23Å; K100-Q103 PolarHBondContact O-N 3.45Å; K100-D104 PolarHBondContact O-N 2.85Å
101	M	97.2	Very high	97.3	Very high	146 Å²	146	98.5 Å²	98.5	72%	0.719	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-39	177.6	-175	174.8	177.1	0	0	112.3	W97 S98 D104 A105	W97-M101 WeakPolarHBondContact O-CB 3.47Å; W97-M101 PolarHBondContact O-N 3.41Å; S98-M101 PolarHBondContact O-N 2.93Å; M101-D104 PolarHBondContact O-N 3.38Å; M101-A105 WeakPolarHBondContact O-CB 3.32Å; M101-A105 PolarHBondContact O-N 2.91Å
102	E	97.8	Very high	97.3	Very high	112 Å²	112	98 Å²	98	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-45.8	174.2	-177.9	178.5	-164.6	0	0	111.6	S98 M99 K100 D104 A105 M106	S98-E102 PolarHBondContact O-N 3.31Å; M99-E102 PolarHBondContact O-N 3.03Å; K100-E102 PolarHBondContact O-N 3.23Å; E102-D104 PolarHBondContact O-N 3.46Å; E102-A105 PolarHBondContact O-N 2.91Å; E102-M106 HydrophobicContact CG-CE 3.88Å; E102-M106 WeakPolarHBondContact O-CG 3.38Å; E102-M106 PolarHBondContact O-N 3.03Å; E102-M106 WeakPolarHBondContact OE1-CE 3.46Å
103	Q	97.8	Very high	97.2	Very high	107 Å²	107	101.8 Å²	101.8	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-59.5	-45.3	176.1	-72.1	172.6	7	0	0	112	M99 K100 A105 M106 L107	M99-Q103 WeakPolarHBondContact O-CG 3.39Å; M99-Q103 PolarHBondContact O-N 2.93Å; K100-Q103 PolarHBondContact O-N 3.45Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.25Å; Q103-M106 PolarHBondContact O-N 3.46Å; Q103-L107 PolarHBondContact O-N 2.97Å
104	D	97.8	Very high	97.2	Very high	77 Å²	77	100.7 Å²	100.7	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-38.3	178	-69.2	-16.5	0	0	0	111.1	K100 M101 E102 L107 I108	K100-D104 PolarHBondContact O-N 2.85Å; M101-D104 PolarHBondContact O-N 3.38Å; E102-D104 PolarHBondContact O-N 3.46Å; D104-L107 WeakPolarHBondContact O-CB 3.34Å; D104-L107 PolarHBondContact O-N 2.86Å; D104-I108 VanDerWaalsContact O-CG1 3.29Å; D104-I108 WeakPolarHBondContact O-CG1 3.38Å; D104-I108 PolarHBondContact O-N 3.29Å
105	A	97.5	Very high	97.1	Very high	55 Å²	55	100 Å²	100	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-42.9	175.2	0	0	0	0	0	112.6	M101 E102 Q103 L107 I108 D109	M101-A105 WeakPolarHBondContact O-CB 3.32Å; M101-A105 PolarHBondContact O-N 2.91Å; E102-A105 PolarHBondContact O-N 2.91Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.25Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 3.2Å; A105-I108 PolarHBondContact O-N 2.98Å; A105-D109 PolarHBondContact O-N 3.36Å
106	M	97.8	Very high	97	Very high	110 Å²	110	99.7 Å²	99.7	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-37.8	174.6	-71.9	-176.6	178	0	0	112.1	E102 Q103 S110	E102-M106 HydrophobicContact CG-CE 3.88Å; E102-M106 WeakPolarHBondContact O-CG 3.38Å; E102-M106 PolarHBondContact O-N 3.03Å; E102-M106 WeakPolarHBondContact OE1-CE 3.46Å; Q103-M106 PolarHBondContact O-N 3.46Å; M106-S110 WeakPolarHBondContact O-CB 3.49Å; M106-S110 PolarHBondContact O-N 3.49Å; M106-S110 PolarHBondContact O-OG 3.37Å
107	L	97.5	Very high	96.8	Very high	112 Å²	112	100.2 Å²	100.2	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-63.8	-45.8	174.6	-172.5	90.1	0	0	0	111.1	Q103 D104 A105 S110 C111	Q103-L107 PolarHBondContact O-N 2.97Å; D104-L107 WeakPolarHBondContact O-CB 3.34Å; D104-L107 PolarHBondContact O-N 2.86Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 3.2Å; L107-S110 PolarHBondContact O-N 2.98Å; L107-C111 WeakPolarHBondContact O-CB 3.47Å; L107-C111 PolarHBondContact O-N 3.39Å; L107-C111 PolarHBondContact O-SG 2.94Å; L107-C111 VanDerWaalsContact O-SG 3.4Å
108	I	97.4	Very high	96.4	Very high	103 Å²	103	100.6 Å²	100.6	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-48.1	177.3	-69.7	165.2	0	0	0	110.5	D104 A105 S110 C111 L112	D104-I108 VanDerWaalsContact O-CG1 3.29Å; D104-I108 WeakPolarHBondContact O-CG1 3.38Å; D104-I108 PolarHBondContact O-N 3.29Å; A105-I108 PolarHBondContact O-N 2.98Å; I108-S110 PolarHBondContact O-N 3.4Å; I108-C111 PolarHBondContact O-N 3.47Å; I108-L112 HydrophobicContact CG2-CD1 3.88Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CB 3.46Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 2.94Å
109	D	97.4	Very high	95	Very high	83 Å²	83	109.2 Å²	109.2	44%	0.444	56%	0.555	S	S	.	*	H	α-helix	trans	-57.5	-47.1	176.7	179.9	52.1	0	0	0	111.4	A105 C111 L112 Q113	A105-D109 PolarHBondContact O-N 3.36Å; D109-C111 PolarHBondContact O-N 2.98Å; D109-L112 PolarHBondContact O-N 2.81Å; D109-Q113 VanDerWaalsContact CG-NE2 3.33Å; D109-Q113 WeakPolarHBondContact O-CB 3.44Å; D109-Q113 WeakPolarHBondContact O-CG 3.33Å; D109-Q113 PolarHBondContact O-N 3.37Å; D109-Q113 PolarHBondContact OD1-NE2 3.25Å; D109-Q113 PolarHBondContact OD2-NE2 3.09Å
110	S	96.8	Very high	94.9	Very high	62 Å²	62	109.9 Å²	109.9	43%	0.434	56%	0.559	S	S	.	*	H	α-helix	trans	-60.1	-42.4	177	-59.8	0	0	0	0	112.7	M106 L107 I108 T114	M106-S110 WeakPolarHBondContact O-CB 3.49Å; M106-S110 PolarHBondContact O-N 3.49Å; M106-S110 PolarHBondContact O-OG 3.37Å; L107-S110 PolarHBondContact O-N 2.98Å; I108-S110 PolarHBondContact O-N 3.4Å; S110-T114 WeakPolarHBondContact O-CB 3.49Å; S110-T114 PolarHBondContact O-N 3.39Å; S110-T114 PolarHBondContact O-OG1 3.45Å
111	C	96.7	Very high	94.8	Very high	72 Å²	72	109.4 Å²	109.4	49%	0.486	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-44.7	175.1	-77.9	0	0	0	0	111.7	L107 I108 D109 T114 V115	L107-C111 WeakPolarHBondContact O-CB 3.47Å; L107-C111 PolarHBondContact O-N 3.39Å; L107-C111 PolarHBondContact O-SG 2.94Å; L107-C111 VanDerWaalsContact O-SG 3.4Å; I108-C111 PolarHBondContact O-N 3.47Å; D109-C111 PolarHBondContact O-N 2.98Å; C111-T114 WeakPolarHBondContact O-CB 3.4Å; C111-T114 PolarHBondContact O-N 2.9Å; C111-V115 WeakPolarHBondContact O-CG2 3.29Å; C111-V115 PolarHBondContact O-N 3.47Å
112	L	96.5	Very high	94.6	Very high	99 Å²	99	107.4 Å²	107.4	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-45.2	177.8	-72.7	173	0	0	0	111.5	I108 D109 T114 V115 L116	I108-L112 HydrophobicContact CG2-CD1 3.88Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CB 3.46Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 2.94Å; D109-L112 PolarHBondContact O-N 2.81Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 2.87Å; L112-V115 PolarHBondContact O-N 3.19Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 WeakPolarHBondContact O-CG 3.43Å; L112-L116 PolarHBondContact O-N 3.4Å
113	Q	95.8	Very high	94.4	Very high	111 Å²	111	107.1 Å²	107.1	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-58.5	-42	174.4	-72	177.6	16	0	0	111.7	D109 V115 L116 S117	D109-Q113 VanDerWaalsContact CG-NE2 3.33Å; D109-Q113 WeakPolarHBondContact O-CB 3.44Å; D109-Q113 WeakPolarHBondContact O-CG 3.33Å; D109-Q113 PolarHBondContact O-N 3.37Å; D109-Q113 PolarHBondContact OD1-NE2 3.25Å; D109-Q113 PolarHBondContact OD2-NE2 3.09Å; Q113-V115 VanDerWaalsContact C-N 3.35Å; Q113-V115 PolarHBondContact O-N 2.99Å; Q113-L116 PolarHBondContact O-N 2.89Å; Q113-S117 WeakPolarHBondContact O-CB 3.4Å; Q113-S117 PolarHBondContact O-N 3.28Å; Q113-S117 PolarHBondContact O-OG 3.38Å
114	T	95.8	Very high	94.2	Very high	71 Å²	71	107.1 Å²	107.1	44%	0.436	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-36.5	177	-58.4	0	0	0	0	112.6	S110 C111 L112 S117 R118	S110-T114 WeakPolarHBondContact O-CB 3.49Å; S110-T114 PolarHBondContact O-N 3.39Å; S110-T114 PolarHBondContact O-OG1 3.45Å; C111-T114 WeakPolarHBondContact O-CB 3.4Å; C111-T114 PolarHBondContact O-N 2.9Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 2.87Å; T114-S117 PolarHBondContact O-OG 2.79Å; T114-S117 VanDerWaalsContact O-OG 3.09Å; T114-R118 WeakPolarHBondContact O-CG 3.46Å
115	V	95.4	Very high	94	Very high	81 Å²	81	109.1 Å²	109.1	49%	0.491	57%	0.567	S	S	.	*	H	α-helix	trans	-72.1	-44.5	175.8	171.7	0	0	0	0	110.6	C111 L112 Q113 S117 R118 Y119	C111-V115 WeakPolarHBondContact O-CG2 3.29Å; C111-V115 PolarHBondContact O-N 3.47Å; L112-V115 PolarHBondContact O-N 3.19Å; Q113-V115 VanDerWaalsContact C-N 3.35Å; Q113-V115 PolarHBondContact O-N 2.99Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 3.01Å; V115-R118 PolarHBondContact O-N 3.3Å; V115-Y119 HydrophobicContact CG1-CE2 4.33Å; V115-Y119 WeakPolarHBondContact O-CD2 3.48Å
116	L	94.8	Very high	93.7	Very high	124 Å²	124	113 Å²	113	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-64.2	-35.6	178.9	-73.4	171	0	0	0	112.3	L112 Q113 R118 Y119	L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 WeakPolarHBondContact O-CG 3.43Å; L112-L116 PolarHBondContact O-N 3.4Å; Q113-L116 PolarHBondContact O-N 2.89Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-R118 VanDerWaalsContact O-N 3.15Å; L116-Y119 PolarHBondContact O-N 3.2Å
117	S	93.7	Very high	93.4	Very high	92 Å²	92	113.2 Å²	113.2	64%	0.643	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-4.5	177.6	72.6	0	0	0	0	114.4	Q113 T114 V115	Q113-S117 WeakPolarHBondContact O-CB 3.4Å; Q113-S117 PolarHBondContact O-N 3.28Å; Q113-S117 PolarHBondContact O-OG 3.38Å; T114-S117 PolarHBondContact O-OG 2.79Å; T114-S117 VanDerWaalsContact O-OG 3.09Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 3.01Å
118	R	87.1	Confident	93.1	Very high	206 Å²	206	113.3 Å²	113.3	78%	0.777	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-8.3	176.9	-70.2	177.6	178.4	-166.5	0.1	113.6	T114 V115 L116	T114-R118 WeakPolarHBondContact O-CG 3.46Å; V115-R118 PolarHBondContact O-N 3.3Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-R118 VanDerWaalsContact O-N 3.15Å
119	Y	69.7	Low	92.7	Very high	256 Å²	256	114.3 Å²	114.3	100%	1.004	58%	0.582	S	S	*	*			trans	-103.3	0	174.3	-73.4	-82.1	0	0	0	110.4	V115 L116	V115-Y119 HydrophobicContact CG1-CE2 4.33Å; V115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L116-Y119 PolarHBondContact O-N 3.2Å

Retrieved 119 of 119 residues in 518.5 ms (Link to these results)

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