G4V9U7_SCHMA Loading...

Synaptosomal-associated protein

AlphaFold DB , UniProt , Accession G4V9U7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 aa.

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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	40.4	Very low	52.5	Low	247 Å²	247	148.7 Å²	148.7	100%	1.217	81%	0.814	S	S	*	*				0	116.9	0	-155.3	151.2	146.2	0	0	106.1	S3	M1-S3 PolarHBondContact O-N 3.41Å
2	S	49.2	Very low	54.4	Low	116 Å²	116	143.1 Å²	143.1	81%	0.811	78%	0.779	S	S	*	*			trans	-38.7	120.4	-158.5	-58.3	0	0	0	0	115.8	M4	S2-M4 PolarHBondContact O-N 3.19Å
3	S	48.2	Very low	57	Low	91 Å²	91	138 Å²	138	64%	0.636	76%	0.756	S	S	*	*			trans	-59.3	113.7	151.5	160.7	0	0	0	0	106.6	M1 M5	M1-S3 PolarHBondContact O-N 3.41Å; S3-M5 PolarHBondContact O-N 2.95Å
4	M	49.6	Very low	59.3	Low	183 Å²	183	138.9 Å²	138.9	90%	0.901	75%	0.752	S	S	*	*			trans	-60.8	85.8	161.9	-66.8	172.2	179	0	0	106.5	S2 D6	S2-M4 PolarHBondContact O-N 3.19Å; M4-D6 PolarHBondContact O-N 2.85Å
5	M	48.8	Very low	61	Low	167 Å²	167	139.8 Å²	139.8	82%	0.823	74%	0.742	S	S	*	*			trans	-74.3	84.8	162.2	-75.7	-176.3	170	0	0	105.3	S3 E7	S3-M5 PolarHBondContact O-N 2.95Å; M5-E7 PolarHBondContact O-N 2.71Å
6	D	49.4	Very low	62.7	Low	133 Å²	133	136.9 Å²	136.9	71%	0.711	72%	0.723	S	S	*	*			trans	-3.4	99.3	142.6	-171.3	35.5	0	0	0	110.5	M4 S8	M4-D6 PolarHBondContact O-N 2.85Å; D6-S8 PolarHBondContact O-N 3.05Å
7	E	47.7	Very low	64.3	Low	191 Å²	191	135 Å²	135	89%	0.893	71%	0.709	S	S	*	*			trans	-64.1	76.6	159	-86.7	-178.6	142.4	0	0	105.4	M5 Q9	M5-E7 PolarHBondContact O-N 2.71Å; E7-Q9 VanDerWaalsContact C-N 3.34Å; E7-Q9 PolarHBondContact O-N 2.85Å
8	S	54.4	Low	65.6	Low	86 Å²	86	132.8 Å²	132.8	60%	0.601	70%	0.697	S	S	*	*			trans	-55.6	104	175.2	57.2	0	0	0	0	105.5	D6 V10	D6-S8 PolarHBondContact O-N 3.05Å; S8-V10 PolarHBondContact O-N 3.17Å; S8-V10 VanDerWaalsContact O-N 3.17Å
9	Q	56.5	Low	66.8	Low	178 Å²	178	130.9 Å²	130.9	83%	0.832	68%	0.682	S	S	*	*			trans	-22.4	113.8	-178.2	-71.8	165	-6.7	0	0	111.5	E7 P11	E7-Q9 VanDerWaalsContact C-N 3.34Å; E7-Q9 PolarHBondContact O-N 2.85Å; Q9-P11 VanDerWaalsContact O-CD 3.25Å; Q9-P11 WeakPolarHBondContact O-CD 3.25Å
10	V	64.5	Low	67.9	Low	133 Å²	133	130.6 Å²	130.6	81%	0.806	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-49.5	117.7	166.5	-179.8	0	0	0	0	105.9	S8 M12	S8-V10 PolarHBondContact O-N 3.17Å; S8-V10 VanDerWaalsContact O-N 3.17Å; V10-M12 PolarHBondContact O-N 3.04Å
11	P	69.2	Low	69	Low	111 Å²	111	131 Å²	131	72%	0.721	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58.1	120	-175.5	-21.8	29.8	0	0	0	108.2	Q9 T13	Q9-P11 VanDerWaalsContact O-CD 3.25Å; Q9-P11 WeakPolarHBondContact O-CD 3.25Å; P11-T13 PolarHBondContact O-N 2.86Å
12	M	75.4	Confident	71.3	Confident	81 Å²	81	122.7 Å²	122.7	40%	0.399	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-51.3	134.8	176.1	-72.4	-157.5	-56.4	0	0	109.1	V10 E16 Q17 F20	V10-M12 PolarHBondContact O-N 3.04Å; M12-E16 HydrophobicContact CB-CB 3.94Å; M12-E16 HydrophobicContact CG-CB 4.35Å; M12-E16 HydrophobicContact SD-CB 4.18Å; M12-Q17 HydrophobicContact CB-CG 3.74Å; M12-Q17 HydrophobicContact CE-CB 4.39Å; M12-Q17 HydrophobicContact CE-CG 3.9Å; M12-Q17 PolarHBondContact O-NE2 2.82Å; M12-F20 HydrophobicContact CE-CB 3.92Å; M12-F20 HydrophobicContact CE-CD1 4.34Å; M12-F20 HydrophobicContact CE-CG 4.06Å; M12-F20 HydrophobicContact SD-CB 4.48Å
13	T	87.5	Confident	73.2	Confident	77 Å²	77	120.3 Å²	120.3	47%	0.472	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-56.4	154	171.3	61.2	0	0	0	0	109.7	P11 Y15 E16 Q17	P11-T13 PolarHBondContact O-N 2.86Å; T13-Y15 PolarHBondContact O-N 3.32Å; T13-Y15 VanDerWaalsContact O-N 3.11Å; T13-E16 WeakPolarHBondContact CB-OE2 3.24Å; T13-E16 PolarHBondContact N-OE2 3.02Å; T13-E16 PolarHBondContact O-N 3.38Å; T13-E16 WeakPolarHBondContact OG1-CB 3.21Å; T13-E16 WeakPolarHBondContact OG1-CG 3.47Å; T13-E16 PolarHBondContact OG1-N 2.89Å; T13-E16 PolarHBondContact OG1-OE2 3.42Å; T13-Q17 WeakPolarHBondContact O-CG 3.49Å; T13-Q17 PolarHBondContact O-N 3.02Å
14	E	88.8	Confident	75.3	Confident	151 Å²	151	120.2 Å²	120.2	71%	0.706	60%	0.599	S	S	*	*	H	α-helix	trans	-51.8	-38.3	177.4	-175.7	179.3	-177.6	0	0	111.8	Q17 I18	E14-Q17 PolarHBondContact O-N 3.11Å; E14-I18 HydrophobicContact CG-CD1 4.19Å; E14-I18 VanDerWaalsContact O-CG1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.5Å; E14-I18 PolarHBondContact O-N 3.28Å
15	Y	85.5	Confident	77.2	Confident	152 Å²	152	114.8 Å²	114.8	60%	0.596	58%	0.576	S	S	*	*	H	α-helix	trans	-63.4	-43.7	175.3	-178.1	-107.1	0	0	0	113.6	T13 I18 K19	T13-Y15 PolarHBondContact O-N 3.32Å; T13-Y15 VanDerWaalsContact O-N 3.11Å; Y15-I18 PolarHBondContact O-N 3.39Å; Y15-K19 HydrophobicContact CD1-CD 4.21Å; Y15-K19 HydrophobicContact CE1-CD 3.67Å; Y15-K19 HydrophobicContact CE1-CG 4.48Å; Y15-K19 VanDerWaalsContact CE1-NZ 3.26Å; Y15-K19 VanDerWaalsContact CZ-NZ 3.32Å; Y15-K19 PolarHBondContact O-N 2.94Å; Y15-K19 WeakPolarHBondContact OH-CE 3.3Å; Y15-K19 PolarHBondContact OH-NZ 3.47Å
16	E	88.3	Confident	79.1	Confident	94 Å²	94	107.6 Å²	107.6	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-66.7	-38.1	176.3	-73.9	164	154.1	0	0	111.6	M12 T13 K19 F20	M12-E16 HydrophobicContact CB-CB 3.94Å; M12-E16 HydrophobicContact CG-CB 4.35Å; M12-E16 HydrophobicContact SD-CB 4.18Å; T13-E16 WeakPolarHBondContact CB-OE2 3.24Å; T13-E16 PolarHBondContact N-OE2 3.02Å; T13-E16 PolarHBondContact O-N 3.38Å; T13-E16 WeakPolarHBondContact OG1-CB 3.21Å; T13-E16 WeakPolarHBondContact OG1-CG 3.47Å; T13-E16 PolarHBondContact OG1-N 2.89Å; T13-E16 PolarHBondContact OG1-OE2 3.42Å; E16-K19 PolarHBondContact O-N 2.96Å; E16-F20 VanDerWaalsContact O-CB 3.24Å; E16-F20 WeakPolarHBondContact O-CB 3.43Å; E16-F20 PolarHBondContact O-N 3.42Å
17	Q	89.5	Confident	81.2	Confident	104 Å²	104	104.5 Å²	104.5	49%	0.486	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-44.4	174.2	-66.1	178	23.5	0	0	111.9	M12 T13 E14 F20 K21	M12-Q17 HydrophobicContact CB-CG 3.74Å; M12-Q17 HydrophobicContact CE-CB 4.39Å; M12-Q17 HydrophobicContact CE-CG 3.9Å; M12-Q17 PolarHBondContact O-NE2 2.82Å; T13-Q17 WeakPolarHBondContact O-CG 3.49Å; T13-Q17 PolarHBondContact O-N 3.02Å; E14-Q17 PolarHBondContact O-N 3.11Å; Q17-F20 PolarHBondContact O-N 2.96Å; Q17-K21 WeakPolarHBondContact O-CB 3.36Å; Q17-K21 PolarHBondContact O-N 2.99Å
18	I	88.3	Confident	83.3	Confident	95 Å²	95	100.2 Å²	100.2	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-45.1	177.6	-69	166.8	0	0	0	110.8	E14 Y15 K21 M22	E14-I18 HydrophobicContact CG-CD1 4.19Å; E14-I18 VanDerWaalsContact O-CG1 3.3Å; E14-I18 WeakPolarHBondContact O-CG1 3.5Å; E14-I18 PolarHBondContact O-N 3.28Å; Y15-I18 PolarHBondContact O-N 3.39Å; I18-K21 PolarHBondContact O-N 3.47Å; I18-M22 WeakPolarHBondContact O-CB 3.37Å; I18-M22 PolarHBondContact O-N 3.47Å
19	K	87.9	Confident	85.1	Confident	97 Å²	97	98.3 Å²	98.3	42%	0.422	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176.9	-82.6	-173.1	163.7	177.8	0	113.1	Y15 E16 K21 M22 N23	Y15-K19 HydrophobicContact CD1-CD 4.21Å; Y15-K19 HydrophobicContact CE1-CD 3.67Å; Y15-K19 HydrophobicContact CE1-CG 4.48Å; Y15-K19 VanDerWaalsContact CE1-NZ 3.26Å; Y15-K19 VanDerWaalsContact CZ-NZ 3.32Å; Y15-K19 PolarHBondContact O-N 2.94Å; Y15-K19 WeakPolarHBondContact OH-CE 3.3Å; Y15-K19 PolarHBondContact OH-NZ 3.47Å; E16-K19 PolarHBondContact O-N 2.96Å; K19-K21 VanDerWaalsContact C-N 3.31Å; K19-K21 PolarHBondContact O-N 2.92Å; K19-M22 PolarHBondContact O-N 2.83Å; K19-N23 PolarHBondContact O-N 3.27Å
20	F	89.5	Confident	86.9	Confident	124 Å²	124	90.4 Å²	90.4	54%	0.544	46%	0.455	S	S	.	.	H	α-helix	trans	-57.9	-48	176.3	178.7	-95.9	0	0	0	110.3	M12 E16 Q17 M22 N23 Q24	M12-F20 HydrophobicContact CE-CB 3.92Å; M12-F20 HydrophobicContact CE-CD1 4.34Å; M12-F20 HydrophobicContact CE-CG 4.06Å; M12-F20 HydrophobicContact SD-CB 4.48Å; E16-F20 VanDerWaalsContact O-CB 3.24Å; E16-F20 WeakPolarHBondContact O-CB 3.43Å; E16-F20 PolarHBondContact O-N 3.42Å; Q17-F20 PolarHBondContact O-N 2.96Å; F20-M22 PolarHBondContact O-N 3.38Å; F20-N23 PolarHBondContact O-N 3.48Å; F20-Q24 WeakPolarHBondContact O-CB 2.99Å; F20-Q24 PolarHBondContact O-N 3.38Å
21	K	90.1	Very high	88.4	Confident	140 Å²	140	89.1 Å²	89.1	61%	0.609	44%	0.44	S	S	*	.	H	α-helix	trans	-64	-39.2	177.1	-169.3	173.7	-176.3	176.7	0	112.8	Q17 I18 K19 Q24 T25	Q17-K21 WeakPolarHBondContact O-CB 3.36Å; Q17-K21 PolarHBondContact O-N 2.99Å; I18-K21 PolarHBondContact O-N 3.47Å; K19-K21 VanDerWaalsContact C-N 3.31Å; K19-K21 PolarHBondContact O-N 2.92Å; K21-Q24 PolarHBondContact O-N 2.98Å; K21-T25 PolarHBondContact O-N 2.83Å; K21-T25 PolarHBondContact O-OG1 2.68Å
22	M	88.1	Confident	89.6	Confident	73 Å²	73	85 Å²	85	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-60.3	-49.9	176.2	-175.6	-173.6	-57.1	0	0	111.2	I18 K19 F20 Q24 T25 T26 I139 T140	I18-M22 WeakPolarHBondContact O-CB 3.37Å; I18-M22 PolarHBondContact O-N 3.47Å; K19-M22 PolarHBondContact O-N 2.83Å; F20-M22 PolarHBondContact O-N 3.38Å; M22-Q24 VanDerWaalsContact C-N 3.35Å; M22-Q24 PolarHBondContact O-N 2.72Å; M22-T25 PolarHBondContact O-N 2.84Å; M22-T26 PolarHBondContact O-N 2.94Å; M22-T26 PolarHBondContact O-OG1 3.36Å; M22-T26 VanDerWaalsContact O-OG1 3.13Å; M22-I139 HydrophobicContact SD-CG2 4.14Å; M22-T140 HydrophobicContact CG-CG2 4.37Å; M22-T140 HydrophobicContact SD-CG2 3.78Å
23	N	90.1	Very high	90.5	Very high	66 Å²	66	81.2 Å²	81.2	35%	0.353	40%	0.397	S	S	.	.	H	α-helix	trans	-61.8	-43.5	177.6	-77.4	-29.2	0	0	0	112.1	K19 F20 T25 T26 D27 R144	K19-N23 PolarHBondContact O-N 3.27Å; F20-N23 PolarHBondContact O-N 3.48Å; N23-T25 PolarHBondContact O-N 3.06Å; N23-T26 PolarHBondContact O-N 2.97Å; N23-D27 PolarHBondContact O-N 3.31Å; N23-R144 PolarHBondContact OD1-NH2 2.87Å
24	Q	92	Very high	90.9	Very high	88 Å²	88	83.2 Å²	83.2	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-57.9	-48.1	176.6	-176.5	-178.6	8	0	0	111.4	F20 K21 M22 T26 D27 E28	F20-Q24 WeakPolarHBondContact O-CB 2.99Å; F20-Q24 PolarHBondContact O-N 3.38Å; K21-Q24 PolarHBondContact O-N 2.98Å; M22-Q24 VanDerWaalsContact C-N 3.35Å; M22-Q24 PolarHBondContact O-N 2.72Å; Q24-T26 VanDerWaalsContact C-N 3.33Å; Q24-T26 PolarHBondContact O-N 3.23Å; Q24-D27 PolarHBondContact O-N 2.94Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.49Å; Q24-E28 PolarHBondContact NE2-OE1 3.34Å; Q24-E28 WeakPolarHBondContact O-CB 3.1Å; Q24-E28 VanDerWaalsContact O-CG 3.31Å; Q24-E28 WeakPolarHBondContact O-CG 3.27Å; Q24-E28 PolarHBondContact O-N 2.74Å
25	T	89.3	Confident	91.3	Very high	69 Å²	69	82.6 Å²	82.6	42%	0.423	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-39.3	177.5	-58.7	0	0	0	0	112.1	K21 M22 N23 S29	K21-T25 PolarHBondContact O-N 2.83Å; K21-T25 PolarHBondContact O-OG1 2.68Å; M22-T25 PolarHBondContact O-N 2.84Å; N23-T25 PolarHBondContact O-N 3.06Å; T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 2.7Å; T25-S29 PolarHBondContact O-OG 3.35Å
26	T	89.8	Confident	91.8	Very high	16 Å²	16	79.3 Å²	79.3	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-45.3	176.7	-61.3	0	0	0	0	111.4	M22 N23 Q24 S29 L30 R144 E145 M148	M22-T26 PolarHBondContact O-N 2.94Å; M22-T26 PolarHBondContact O-OG1 3.36Å; M22-T26 VanDerWaalsContact O-OG1 3.13Å; N23-T26 PolarHBondContact O-N 2.97Å; Q24-T26 VanDerWaalsContact C-N 3.33Å; Q24-T26 PolarHBondContact O-N 3.23Å; T26-S29 PolarHBondContact O-N 2.95Å; T26-L30 PolarHBondContact O-N 3.13Å; T26-R144 HydrophobicContact CG2-CB 4.05Å; T26-E145 HydrophobicContact CG2-CG 4.5Å; T26-M148 HydrophobicContact CG2-CE 4.23Å
27	D	92.1	Very high	92.1	Very high	69 Å²	69	76.7 Å²	76.7	37%	0.369	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-45.4	177.8	-67.5	-28	0	0	0	111.2	N23 Q24 S29 L30 E31 R144	N23-D27 PolarHBondContact O-N 3.31Å; Q24-D27 PolarHBondContact O-N 2.94Å; D27-S29 VanDerWaalsContact C-N 3.29Å; D27-S29 PolarHBondContact O-N 3.42Å; D27-L30 PolarHBondContact O-N 3.22Å; D27-E31 WeakPolarHBondContact O-CG 3.46Å; D27-E31 PolarHBondContact O-N 2.99Å; D27-R144 VanDerWaalsContact CG-NH1 3.32Å; D27-R144 WeakPolarHBondContact OD1-CD 3.33Å; D27-R144 IonicContact OD1-CZ 3.61Å; D27-R144 IonicContact OD1-NE 3.74Å; D27-R144 IonicContact OD1-NH1 2.72Å; D27-R144 PolarHBondContact OD1-NH1 3.48Å; D27-R144 IonicContact OD2-NH1 3.34Å; D27-R144 PolarHBondContact OD2-NH1 2.84Å
28	E	93.2	Very high	92.5	Very high	100 Å²	100	74.8 Å²	74.8	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-59.7	-39.2	175.5	-73.8	173.9	-170.4	0	0	112.3	Q24 A32	Q24-E28 WeakPolarHBondContact CG-OE1 3.49Å; Q24-E28 PolarHBondContact NE2-OE1 3.34Å; Q24-E28 WeakPolarHBondContact O-CB 3.1Å; Q24-E28 VanDerWaalsContact O-CG 3.31Å; Q24-E28 WeakPolarHBondContact O-CG 3.27Å; Q24-E28 PolarHBondContact O-N 2.74Å; E28-A32 WeakPolarHBondContact O-CB 3.32Å; E28-A32 PolarHBondContact O-N 2.96Å
29	S	92.3	Very high	92.9	Very high	47 Å²	47	75.4 Å²	75.4	33%	0.329	37%	0.372	S	S	.	.	H	α-helix	trans	-70.6	-37.8	178	-59.3	0	0	0	0	112	T25 T26 D27 A32 S33	T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 2.7Å; T25-S29 PolarHBondContact O-OG 3.35Å; T26-S29 PolarHBondContact O-N 2.95Å; D27-S29 VanDerWaalsContact C-N 3.29Å; D27-S29 PolarHBondContact O-N 3.42Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 2.84Å; S29-S33 PolarHBondContact O-N 3.47Å
30	L	93.4	Very high	93.3	Very high	11 Å²	11	71.4 Å²	71.4	6%	0.058	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-47.5	175.4	-179.9	60.7	0	0	0	110.5	T26 D27 A32 S33 R34 R144 E147 M148	T26-L30 PolarHBondContact O-N 3.13Å; D27-L30 PolarHBondContact O-N 3.22Å; L30-A32 VanDerWaalsContact C-N 3.26Å; L30-A32 PolarHBondContact O-N 2.78Å; L30-S33 PolarHBondContact O-N 3.32Å; L30-S33 VanDerWaalsContact O-N 3.13Å; L30-S33 PolarHBondContact O-OG 2.74Å; L30-R34 PolarHBondContact O-N 3.17Å; L30-R34 VanDerWaalsContact O-N 3.07Å; L30-R144 HydrophobicContact CD2-CB 4.06Å; L30-R144 HydrophobicContact CD2-CG 4.17Å; L30-E147 HydrophobicContact CD1-CB 3.89Å; L30-E147 HydrophobicContact CD1-CG 3.9Å; L30-M148 HydrophobicContact CB-CE 4.31Å; L30-M148 HydrophobicContact CD1-CB 4.14Å
31	E	95.5	Very high	93.5	Very high	107 Å²	107	69 Å²	69	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-37.4	173.9	-69.5	-176.6	175.1	0	0	112.1	D27 R34 R35	D27-E31 WeakPolarHBondContact O-CG 3.46Å; D27-E31 PolarHBondContact O-N 2.99Å; E31-R34 PolarHBondContact O-N 2.92Å; E31-R35 WeakPolarHBondContact O-CG 3.49Å; E31-R35 PolarHBondContact O-N 3Å; E31-R35 IonicContact OE2-NH1 3.35Å
32	A	94.7	Very high	93.9	Very high	24 Å²	24	68.4 Å²	68.4	20%	0.198	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-43.8	173.8	0	0	0	0	0	111.9	E28 S29 L30 R34 R35 M36	E28-A32 WeakPolarHBondContact O-CB 3.32Å; E28-A32 PolarHBondContact O-N 2.96Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 2.84Å; L30-A32 VanDerWaalsContact C-N 3.26Å; L30-A32 PolarHBondContact O-N 2.78Å; A32-R34 VanDerWaalsContact C-N 3.32Å; A32-R34 PolarHBondContact O-N 3.19Å; A32-R35 WeakPolarHBondContact O-CB 3.41Å; A32-R35 PolarHBondContact O-N 3.23Å; A32-M36 WeakPolarHBondContact O-CG 3.43Å; A32-M36 PolarHBondContact O-N 2.99Å
33	S	94.8	Very high	94.3	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-38.6	176.8	74.9	0	0	0	0	112.4	S29 L30 M36 M37 N151	S29-S33 PolarHBondContact O-N 3.47Å; L30-S33 PolarHBondContact O-N 3.32Å; L30-S33 VanDerWaalsContact O-N 3.13Å; L30-S33 PolarHBondContact O-OG 2.74Å; S33-M36 WeakPolarHBondContact O-CB 3.35Å; S33-M36 PolarHBondContact O-N 3.01Å; S33-M37 PolarHBondContact O-N 2.9Å; S33-N151 PolarHBondContact OG-ND2 3.09Å
34	R	96.4	Very high	94.5	Very high	119 Å²	119	66.1 Å²	66.1	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-42.1	173.5	-67.4	176.8	-179.8	163.8	0.2	112.3	L30 E31 A32 M36 M37 A38 E147	L30-R34 PolarHBondContact O-N 3.17Å; L30-R34 VanDerWaalsContact O-N 3.07Å; E31-R34 PolarHBondContact O-N 2.92Å; A32-R34 VanDerWaalsContact C-N 3.32Å; A32-R34 PolarHBondContact O-N 3.19Å; R34-M36 VanDerWaalsContact C-N 3.33Å; R34-M37 HydrophobicContact CB-CE 4.34Å; R34-M37 HydrophobicContact CG-CE 4.08Å; R34-M37 PolarHBondContact O-N 3.04Å; R34-A38 PolarHBondContact O-N 2.98Å; R34-A38 VanDerWaalsContact O-N 3.14Å; R34-E147 IonicContact CZ-OE1 3.63Å; R34-E147 IonicContact CZ-OE2 2.87Å; R34-E147 IonicContact NE-OE1 3.48Å; R34-E147 PolarHBondContact NE-OE1 3.23Å; R34-E147 IonicContact NH2-OE1 3.92Å; R34-E147 PolarHBondContact NH2-OE1 2.92Å; R34-E147 IonicContact NH2-OE2 2.73Å; R34-E147 PolarHBondContact NH2-OE2 3.04Å
35	R	96.8	Very high	94.7	Very high	137 Å²	137	67.8 Å²	67.8	52%	0.517	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-39.1	173.2	-69.9	-171.4	-59.4	-90.1	2.2	111.8	E31 A32 M37 A38 L39	E31-R35 WeakPolarHBondContact O-CG 3.49Å; E31-R35 PolarHBondContact O-N 3Å; E31-R35 IonicContact OE2-NH1 3.35Å; A32-R35 WeakPolarHBondContact O-CB 3.41Å; A32-R35 PolarHBondContact O-N 3.23Å; R35-M37 VanDerWaalsContact C-N 3.34Å; R35-M37 PolarHBondContact O-N 3.43Å; R35-A38 PolarHBondContact O-N 2.78Å; R35-L39 WeakPolarHBondContact O-CG 3.48Å; R35-L39 PolarHBondContact O-N 3.22Å
36	M	95.7	Very high	95	Very high	84 Å²	84	67.1 Å²	67.1	41%	0.414	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-43.2	176.1	-70.6	176.3	-168.7	0	0	111.5	A32 S33 R34 L39 C40 L152 V155	A32-M36 WeakPolarHBondContact O-CG 3.43Å; A32-M36 PolarHBondContact O-N 2.99Å; S33-M36 WeakPolarHBondContact O-CB 3.35Å; S33-M36 PolarHBondContact O-N 3.01Å; R34-M36 VanDerWaalsContact C-N 3.33Å; M36-L39 PolarHBondContact O-N 3.45Å; M36-C40 WeakPolarHBondContact O-CB 3.42Å; M36-C40 PolarHBondContact O-N 2.99Å; M36-C40 PolarHBondContact O-SG 3.35Å; M36-L152 HydrophobicContact SD-CD2 3.97Å; M36-V155 HydrophobicContact CB-CG1 4.49Å; M36-V155 HydrophobicContact CB-CG2 3.87Å
37	M	95.4	Very high	95.3	Very high	39 Å²	39	66.7 Å²	66.7	19%	0.192	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-47.9	175.4	-69.5	-172	-65.6	0	0	112	S33 R34 R35 L39 C40 E41 N151 V155 M158	S33-M37 PolarHBondContact O-N 2.9Å; R34-M37 HydrophobicContact CB-CE 4.34Å; R34-M37 HydrophobicContact CG-CE 4.08Å; R34-M37 PolarHBondContact O-N 3.04Å; R35-M37 VanDerWaalsContact C-N 3.34Å; R35-M37 PolarHBondContact O-N 3.43Å; M37-L39 VanDerWaalsContact C-N 3.34Å; M37-L39 PolarHBondContact O-N 2.9Å; M37-C40 PolarHBondContact O-N 3.37Å; M37-E41 PolarHBondContact O-N 3.24Å; M37-N151 HydrophobicContact CE-CB 3.91Å; M37-N151 WeakPolarHBondContact CE-OD1 3.22Å; M37-N151 HydrophobicContact CG-CB 4.38Å; M37-N151 HydrophobicContact SD-CB 3.83Å; M37-N151 PolarHBondContact SD-OD1 2.79Å; M37-V155 HydrophobicContact CB-CG2 4.42Å; M37-V155 HydrophobicContact CG-CG2 3.64Å; M37-M158 HydrophobicContact CB-CE 4.05Å; M37-M158 HydrophobicContact CG-CE 3.95Å
38	A	96.5	Very high	95.5	Very high	64 Å²	64	67.3 Å²	67.3	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-59	-44.3	178.4	0	0	0	0	0	112.2	R34 R35 E41 E42	R34-A38 PolarHBondContact O-N 2.98Å; R34-A38 VanDerWaalsContact O-N 3.14Å; R35-A38 PolarHBondContact O-N 2.78Å; A38-E41 PolarHBondContact O-N 2.94Å; A38-E42 WeakPolarHBondContact O-CB 3.14Å; A38-E42 PolarHBondContact O-N 3.34Å
39	L	97	Very high	95.7	Very high	108 Å²	108	65.5 Å²	65.5	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-65.3	-38	176.8	-71.4	169.7	0	0	0	112.5	R35 M36 M37 A43	R35-L39 WeakPolarHBondContact O-CG 3.48Å; R35-L39 PolarHBondContact O-N 3.22Å; M36-L39 PolarHBondContact O-N 3.45Å; M37-L39 VanDerWaalsContact C-N 3.34Å; M37-L39 PolarHBondContact O-N 2.9Å; L39-A43 VanDerWaalsContact O-CB 3.24Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.12Å
40	C	96.1	Very high	95.8	Very high	13 Å²	13	65.8 Å²	65.8	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-38.7	177.6	-71.2	0	0	0	0	111.9	M36 M37 A43 K44 M158	M36-C40 WeakPolarHBondContact O-CB 3.42Å; M36-C40 PolarHBondContact O-N 2.99Å; M36-C40 PolarHBondContact O-SG 3.35Å; M37-C40 PolarHBondContact O-N 3.37Å; C40-A43 PolarHBondContact O-N 3.32Å; C40-K44 WeakPolarHBondContact O-CB 3.39Å; C40-K44 PolarHBondContact O-N 3.42Å; C40-M158 HydrophobicContact CB-CB 3.78Å; C40-M158 HydrophobicContact CB-CE 3.79Å; C40-M158 HydrophobicContact CB-CG 4.31Å; C40-M158 HydrophobicContact CB-SD 3.58Å; C40-M158 VanDerWaalsContact CB-SD 3.58Å
41	E	95.3	Very high	95.9	Very high	73 Å²	73	67.4 Å²	67.4	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-66.3	-45.5	176.3	-170	62.4	-160.9	0	0	111.1	M37 A38 A43 K44 E45	M37-E41 PolarHBondContact O-N 3.24Å; A38-E41 PolarHBondContact O-N 2.94Å; E41-A43 PolarHBondContact O-N 3.13Å; E41-K44 WeakPolarHBondContact O-CB 3.5Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-K44 VanDerWaalsContact O-N 3.12Å; E41-K44 WeakPolarHBondContact OE1-CE 3.41Å; E41-K44 IonicContact OE1-NZ 2.82Å; E41-K44 PolarHBondContact OE1-NZ 3.29Å; E41-K44 WeakPolarHBondContact OE2-CE 3.4Å; E41-K44 IonicContact OE2-NZ 3.97Å; E41-E45 PolarHBondContact O-N 2.92Å
42	E	96.5	Very high	96	Very high	127 Å²	127	66.9 Å²	66.9	59%	0.593	36%	0.36	S	S	*	.	H	α-helix	trans	-59	-46.4	173.9	-176.9	-178	178.2	0	0	111.4	A38 K44 E45 A46	A38-E42 WeakPolarHBondContact O-CB 3.14Å; A38-E42 PolarHBondContact O-N 3.34Å; E42-K44 VanDerWaalsContact C-N 3.25Å; E42-K44 PolarHBondContact O-N 3.44Å; E42-E45 PolarHBondContact O-N 2.77Å; E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.01Å
43	A	96.5	Very high	96	Very high	41 Å²	41	70.4 Å²	70.4	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-34.4	176.7	0	0	0	0	0	112	L39 C40 E41 G47 L162	L39-A43 VanDerWaalsContact O-CB 3.24Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.12Å; C40-A43 PolarHBondContact O-N 3.32Å; E41-A43 PolarHBondContact O-N 3.13Å; A43-G47 PolarHBondContact O-N 3.07Å; A43-L162 HydrophobicContact CB-CD1 4.06Å; A43-L162 HydrophobicContact CB-CD2 3.75Å
44	K	95	Very high	96.1	Very high	50 Å²	50	70.9 Å²	70.9	22%	0.217	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-47.2	176.6	176.1	-179.2	59.8	66.4	0	110.7	C40 E41 E42 G47 I48 L162 M165	C40-K44 WeakPolarHBondContact O-CB 3.39Å; C40-K44 PolarHBondContact O-N 3.42Å; E41-K44 WeakPolarHBondContact O-CB 3.5Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-K44 VanDerWaalsContact O-N 3.12Å; E41-K44 WeakPolarHBondContact OE1-CE 3.41Å; E41-K44 IonicContact OE1-NZ 2.82Å; E41-K44 PolarHBondContact OE1-NZ 3.29Å; E41-K44 WeakPolarHBondContact OE2-CE 3.4Å; E41-K44 IonicContact OE2-NZ 3.97Å; E42-K44 VanDerWaalsContact C-N 3.25Å; E42-K44 PolarHBondContact O-N 3.44Å; K44-G47 PolarHBondContact O-N 3.39Å; K44-I48 HydrophobicContact CG-CD1 3.9Å; K44-I48 HydrophobicContact CG-CG1 4.48Å; K44-I48 VanDerWaalsContact O-CG1 3.29Å; K44-I48 WeakPolarHBondContact O-CG1 3.33Å; K44-I48 PolarHBondContact O-N 3.48Å; K44-L162 HydrophobicContact CB-CD2 4.45Å; K44-M165 HydrophobicContact CB-CE 4.46Å; K44-M165 HydrophobicContact CG-CE 4.2Å
45	E	96.2	Very high	96	Very high	123 Å²	123	70.1 Å²	70.1	58%	0.575	38%	0.381	S	S	*	.	H	α-helix	trans	-61.1	-45.9	177.6	-69.3	-177	172.7	0	0	111.7	E41 E42 G47 I48 S49	E41-E45 PolarHBondContact O-N 2.92Å; E42-E45 PolarHBondContact O-N 2.77Å; E45-G47 VanDerWaalsContact C-N 3.33Å; E45-G47 PolarHBondContact O-N 2.88Å; E45-I48 PolarHBondContact O-N 3.32Å; E45-S49 PolarHBondContact O-N 3.14Å
46	A	95.9	Very high	96	Very high	55 Å²	55	67.2 Å²	67.2	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-40.9	174.9	0	0	0	0	0	112.2	E42 S49 T50	E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.01Å; A46-S49 PolarHBondContact O-N 3.34Å; A46-T50 WeakPolarHBondContact O-CB 3.44Å; A46-T50 PolarHBondContact O-N 3.43Å; A46-T50 PolarHBondContact O-OG1 3.35Å
47	G	95.9	Very high	95.9	Very high	8 Å²	8	67.6 Å²	67.6	8%	0.082	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-46.1	176.3	0	0	0	0	0	112.6	A43 K44 E45 T50 L51	A43-G47 PolarHBondContact O-N 3.07Å; K44-G47 PolarHBondContact O-N 3.39Å; E45-G47 VanDerWaalsContact C-N 3.33Å; E45-G47 PolarHBondContact O-N 2.88Å; G47-T50 PolarHBondContact O-N 2.86Å; G47-L51 PolarHBondContact O-N 3.45Å
48	I	96	Very high	95.9	Very high	81 Å²	81	66.1 Å²	66.1	42%	0.415	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-48.1	176	-68.8	165.9	0	0	0	110.4	K44 E45 T50 L51 V52 M165	K44-I48 HydrophobicContact CG-CD1 3.9Å; K44-I48 HydrophobicContact CG-CG1 4.48Å; K44-I48 VanDerWaalsContact O-CG1 3.29Å; K44-I48 WeakPolarHBondContact O-CG1 3.33Å; K44-I48 PolarHBondContact O-N 3.48Å; E45-I48 PolarHBondContact O-N 3.32Å; I48-T50 PolarHBondContact O-N 2.99Å; I48-L51 PolarHBondContact O-N 2.66Å; I48-V52 WeakPolarHBondContact O-CG2 3.42Å; I48-V52 PolarHBondContact O-N 2.92Å; I48-M165 HydrophobicContact CG1-SD 3.99Å
49	S	97.1	Very high	95.9	Very high	63 Å²	63	67.9 Å²	67.9	44%	0.441	37%	0.368	S	S	.	.	H	α-helix	trans	-58.7	-38.4	177.4	-174.5	0	0	0	0	111.6	E45 A46 M53	E45-S49 PolarHBondContact O-N 3.14Å; A46-S49 PolarHBondContact O-N 3.34Å; S49-M53 WeakPolarHBondContact O-CG 3.42Å; S49-M53 PolarHBondContact O-N 3.42Å; S49-M53 VanDerWaalsContact O-N 3.08Å
50	T	96.2	Very high	95.9	Very high	53 Å²	53	66.8 Å²	66.8	33%	0.325	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-43.1	179.1	-56.3	0	0	0	0	111.6	A46 G47 I48 V52 M53 L54 M169	A46-T50 WeakPolarHBondContact O-CB 3.44Å; A46-T50 PolarHBondContact O-N 3.43Å; A46-T50 PolarHBondContact O-OG1 3.35Å; G47-T50 PolarHBondContact O-N 2.86Å; I48-T50 PolarHBondContact O-N 2.99Å; T50-V52 VanDerWaalsContact C-N 3.35Å; T50-V52 PolarHBondContact O-N 2.93Å; T50-M53 PolarHBondContact O-N 3.32Å; T50-L54 HydrophobicContact CG2-CD1 4.26Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.4Å; T50-M169 HydrophobicContact CG2-SD 3.53Å; T50-M169 VanDerWaalsContact CG2-SD 3.53Å
51	L	95.1	Very high	95.9	Very high	45 Å²	45	67.4 Å²	67.4	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-43.5	175.4	-78.7	169.4	0	0	0	112.2	G47 I48 M53 L54 D55 M165 D168 M169	G47-L51 PolarHBondContact O-N 3.45Å; I48-L51 PolarHBondContact O-N 2.66Å; L51-M53 VanDerWaalsContact C-N 3.33Å; L51-M53 PolarHBondContact O-N 2.98Å; L51-L54 PolarHBondContact O-N 3.48Å; L51-D55 PolarHBondContact O-N 3.03Å; L51-M165 HydrophobicContact CD1-CB 3.83Å; L51-M165 HydrophobicContact CD1-CG 3.62Å; L51-M165 HydrophobicContact CD1-SD 3.94Å; L51-D168 HydrophobicContact CD2-CB 4.04Å; L51-M169 HydrophobicContact CD2-CB 4.38Å; L51-M169 HydrophobicContact CD2-CG 3.41Å; L51-M169 VanDerWaalsContact CD2-CG 3.41Å; L51-M169 HydrophobicContact CG-CG 3.78Å; L51-M169 HydrophobicContact CG-SD 4.5Å
52	V	96.1	Very high	95.9	Very high	95 Å²	95	67.9 Å²	67.9	58%	0.576	37%	0.368	S	S	*	.	H	α-helix	trans	-62.4	-41.8	175.9	173.8	0	0	0	0	111.4	I48 T50 L54 D55 D56	I48-V52 WeakPolarHBondContact O-CG2 3.42Å; I48-V52 PolarHBondContact O-N 2.92Å; T50-V52 VanDerWaalsContact C-N 3.35Å; T50-V52 PolarHBondContact O-N 2.93Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-D55 PolarHBondContact O-N 3.22Å; V52-D56 PolarHBondContact O-N 3.33Å; V52-D56 VanDerWaalsContact O-N 3.13Å
53	M	96	Very high	95.9	Very high	98 Å²	98	68 Å²	68	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-34.7	176.2	-72.5	-174.7	-65.9	0	0	112.5	S49 T50 L51 Q57	S49-M53 WeakPolarHBondContact O-CG 3.42Å; S49-M53 PolarHBondContact O-N 3.42Å; S49-M53 VanDerWaalsContact O-N 3.08Å; T50-M53 PolarHBondContact O-N 3.32Å; L51-M53 VanDerWaalsContact C-N 3.33Å; L51-M53 PolarHBondContact O-N 2.98Å; M53-Q57 WeakPolarHBondContact O-CB 3.45Å; M53-Q57 VanDerWaalsContact O-CG 3.24Å; M53-Q57 WeakPolarHBondContact O-CG 2.92Å; M53-Q57 PolarHBondContact O-N 3.09Å; M53-Q57 VanDerWaalsContact O-N 3.09Å; M53-Q57 PolarHBondContact O-NE2 3.12Å
54	L	95.8	Very high	95.9	Very high	13 Å²	13	69.7 Å²	69.7	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-68.5	-41.4	176.1	-75.1	171	0	0	0	111.2	T50 L51 V52 Q57 G58 M169 E172 I173 Q176	T50-L54 HydrophobicContact CG2-CD1 4.26Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.4Å; L51-L54 PolarHBondContact O-N 3.48Å; V52-L54 VanDerWaalsContact C-N 3.33Å; L54-Q57 PolarHBondContact O-N 3.32Å; L54-G58 PolarHBondContact O-N 3.46Å; L54-M169 HydrophobicContact CD1-CB 3.87Å; L54-M169 HydrophobicContact CD1-CG 3.73Å; L54-E172 HydrophobicContact CB-CG 4.02Å; L54-I173 HydrophobicContact CD1-CD1 4.29Å; L54-I173 HydrophobicContact CD1-CG1 4.13Å; L54-I173 HydrophobicContact CD2-CD1 4.41Å; L54-I173 HydrophobicContact CD2-CG1 3.75Å; L54-Q176 PolarHBondContact O-NE2 3.36Å
55	D	94.7	Very high	95.9	Very high	103 Å²	103	69 Å²	69	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-59.7	-49.6	176.1	-174	69.1	0	0	0	111.8	L51 V52 Q57 G58 E59	L51-D55 PolarHBondContact O-N 3.03Å; V52-D55 PolarHBondContact O-N 3.22Å; D55-Q57 VanDerWaalsContact C-N 3.33Å; D55-Q57 PolarHBondContact O-N 2.67Å; D55-G58 WeakPolarHBondContact O-CA 3.13Å; D55-G58 PolarHBondContact O-N 2.86Å; D55-E59 PolarHBondContact O-N 2.94Å
56	D	96.3	Very high	95.8	Very high	76 Å²	76	68.6 Å²	68.6	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-38.9	176	177.5	72.1	0	0	0	112.4	V52 G58 E59 Q60	V52-D56 PolarHBondContact O-N 3.33Å; V52-D56 VanDerWaalsContact O-N 3.13Å; D56-G58 VanDerWaalsContact C-N 3.33Å; D56-E59 PolarHBondContact O-N 3.19Å; D56-Q60 WeakPolarHBondContact O-CG 3.4Å; D56-Q60 PolarHBondContact O-N 2.89Å; D56-Q60 PolarHBondContact OD2-NE2 2.97Å
57	Q	94.6	Very high	95.8	Very high	91 Å²	91	66.9 Å²	66.9	43%	0.425	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-38.5	173	-78.5	170.8	88.6	0	0	112.1	M53 L54 D55 Q60 L61	M53-Q57 WeakPolarHBondContact O-CB 3.45Å; M53-Q57 VanDerWaalsContact O-CG 3.24Å; M53-Q57 WeakPolarHBondContact O-CG 2.92Å; M53-Q57 PolarHBondContact O-N 3.09Å; M53-Q57 VanDerWaalsContact O-N 3.09Å; M53-Q57 PolarHBondContact O-NE2 3.12Å; L54-Q57 PolarHBondContact O-N 3.32Å; D55-Q57 VanDerWaalsContact C-N 3.33Å; D55-Q57 PolarHBondContact O-N 2.67Å; Q57-Q60 WeakPolarHBondContact O-CB 3.34Å; Q57-Q60 PolarHBondContact O-N 3.39Å; Q57-L61 VanDerWaalsContact O-CG 3.32Å; Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 2.99Å
58	G	95.8	Very high	95.7	Very high	8 Å²	8	68.3 Å²	68.3	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-58.4	-50.4	175.2	0	0	0	0	0	111.3	L54 D55 D56 Q60 L61 D62	L54-G58 PolarHBondContact O-N 3.46Å; D55-G58 WeakPolarHBondContact O-CA 3.13Å; D55-G58 PolarHBondContact O-N 2.86Å; D56-G58 VanDerWaalsContact C-N 3.33Å; G58-Q60 VanDerWaalsContact C-N 3.3Å; G58-Q60 PolarHBondContact O-N 2.98Å; G58-L61 PolarHBondContact O-N 2.84Å; G58-L61 VanDerWaalsContact O-N 3.14Å; G58-D62 PolarHBondContact O-N 2.69Å
59	E	95.8	Very high	95.6	Very high	101 Å²	101	67.5 Å²	67.5	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-36.8	176.1	-62.1	-167.4	165.9	0	0	112.7	D55 D56 L61 D62 R63	D55-E59 PolarHBondContact O-N 2.94Å; D56-E59 PolarHBondContact O-N 3.19Å; E59-L61 VanDerWaalsContact C-N 3.35Å; E59-D62 PolarHBondContact O-N 3.39Å; E59-R63 WeakPolarHBondContact O-CG 3.17Å; E59-R63 PolarHBondContact O-N 3.19Å; E59-R63 IonicContact OE2-NH1 2.73Å; E59-R63 PolarHBondContact OE2-NH1 3.4Å
60	Q	97.1	Very high	95.5	Very high	85 Å²	85	70.2 Å²	70.2	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-42.7	174.9	-76.2	-175.8	63.1	0	0	111.6	D56 Q57 G58 R63 I64	D56-Q60 WeakPolarHBondContact O-CG 3.4Å; D56-Q60 PolarHBondContact O-N 2.89Å; D56-Q60 PolarHBondContact OD2-NE2 2.97Å; Q57-Q60 WeakPolarHBondContact O-CB 3.34Å; Q57-Q60 PolarHBondContact O-N 3.39Å; G58-Q60 VanDerWaalsContact C-N 3.3Å; G58-Q60 PolarHBondContact O-N 2.98Å; Q60-R63 PolarHBondContact O-N 3.07Å; Q60-I64 VanDerWaalsContact O-CG1 3.27Å; Q60-I64 WeakPolarHBondContact O-CG1 3.46Å; Q60-I64 PolarHBondContact O-N 3.47Å
61	L	96.4	Very high	95.4	Very high	27 Å²	27	70.7 Å²	70.7	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-38.2	177.6	-70.6	172	0	0	0	111.5	Q57 G58 E59 I64 N65 Q176 Q179 V180 I183	Q57-L61 VanDerWaalsContact O-CG 3.32Å; Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 2.99Å; G58-L61 PolarHBondContact O-N 2.84Å; G58-L61 VanDerWaalsContact O-N 3.14Å; E59-L61 VanDerWaalsContact C-N 3.35Å; L61-I64 PolarHBondContact O-N 2.9Å; L61-N65 VanDerWaalsContact O-CB 3.22Å; L61-N65 WeakPolarHBondContact O-CB 3.23Å; L61-N65 PolarHBondContact O-N 3.38Å; L61-Q176 HydrophobicContact CD1-CB 3.69Å; L61-Q176 HydrophobicContact CD1-CG 3.79Å; L61-Q179 HydrophobicContact CB-CG 4.26Å; L61-V180 HydrophobicContact CD1-CG2 4.07Å; L61-V180 HydrophobicContact CD2-CG2 3.71Å; L61-I183 HydrophobicContact CB-CD1 4.3Å; L61-I183 HydrophobicContact CD2-CD1 3.87Å
62	D	95.4	Very high	95.3	Very high	83 Å²	83	69 Å²	69	44%	0.444	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-48.8	172.5	-78.8	-22.7	0	0	0	111.6	G58 E59 I64 N65 E66 Q179	G58-D62 PolarHBondContact O-N 2.69Å; E59-D62 PolarHBondContact O-N 3.39Å; D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.34Å; D62-N65 WeakPolarHBondContact O-CB 3.49Å; D62-N65 PolarHBondContact O-N 2.96Å; D62-N65 VanDerWaalsContact O-N 3.16Å; D62-E66 WeakPolarHBondContact O-CG 3.44Å; D62-E66 PolarHBondContact O-N 2.89Å; D62-Q179 PolarHBondContact OD1-NE2 3.33Å
63	R	96.8	Very high	95.2	Very high	129 Å²	129	68.4 Å²	68.4	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-60	-41.1	176.4	-70.8	-172.4	-65.7	-94	10.1	112.3	E59 Q60 G67	E59-R63 WeakPolarHBondContact O-CG 3.17Å; E59-R63 PolarHBondContact O-N 3.19Å; E59-R63 IonicContact OE2-NH1 2.73Å; E59-R63 PolarHBondContact OE2-NH1 3.4Å; Q60-R63 PolarHBondContact O-N 3.07Å; R63-G67 PolarHBondContact O-N 3.38Å
64	I	96	Very high	95.1	Very high	76 Å²	76	68.8 Å²	68.8	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-43.8	176.5	-68.5	164.9	0	0	0	110.4	Q60 L61 D62 E66 G67 M68 I183	Q60-I64 VanDerWaalsContact O-CG1 3.27Å; Q60-I64 WeakPolarHBondContact O-CG1 3.46Å; Q60-I64 PolarHBondContact O-N 3.47Å; L61-I64 PolarHBondContact O-N 2.9Å; D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.34Å; I64-E66 PolarHBondContact O-N 3.22Å; I64-G67 PolarHBondContact O-N 2.81Å; I64-M68 HydrophobicContact CG2-CE 4.37Å; I64-M68 HydrophobicContact CG2-CG 4.44Å; I64-M68 VanDerWaalsContact O-CG 3.31Å; I64-M68 WeakPolarHBondContact O-CG 3.5Å; I64-M68 PolarHBondContact O-N 3.34Å; I64-I183 HydrophobicContact CB-CD1 4.26Å; I64-I183 HydrophobicContact CG2-CD1 3.98Å; I64-I183 HydrophobicContact CG2-CG1 4.31Å; I64-I183 HydrophobicContact CG2-CG2 3.69Å
65	N	93.8	Very high	94.9	Very high	35 Å²	35	69 Å²	69	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-43.9	-179.7	-177.3	56.3	0	0	0	111.8	L61 D62 M68 D69 I183 K186	L61-N65 VanDerWaalsContact O-CB 3.22Å; L61-N65 WeakPolarHBondContact O-CB 3.23Å; L61-N65 PolarHBondContact O-N 3.38Å; D62-N65 WeakPolarHBondContact O-CB 3.49Å; D62-N65 PolarHBondContact O-N 2.96Å; D62-N65 VanDerWaalsContact O-N 3.16Å; N65-M68 PolarHBondContact O-N 3.02Å; N65-D69 PolarHBondContact O-N 2.92Å; N65-I183 HydrophobicContact CB-CD1 4.13Å; N65-I183 HydrophobicContact CB-CG1 3.92Å; N65-K186 PolarHBondContact O-NZ 3.15Å; N65-K186 WeakPolarHBondContact OD1-CE 3.41Å; N65-K186 PolarHBondContact OD1-NZ 3.28Å
66	E	95.5	Very high	94.7	Very high	115 Å²	115	66.8 Å²	66.8	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-44.5	172	-70.7	-177.2	176	0	0	111.9	D62 I64 M68 D69 Q70	D62-E66 WeakPolarHBondContact O-CG 3.44Å; D62-E66 PolarHBondContact O-N 2.89Å; I64-E66 PolarHBondContact O-N 3.22Å; E66-M68 PolarHBondContact O-N 3.09Å; E66-D69 WeakPolarHBondContact O-CB 3.24Å; E66-D69 PolarHBondContact O-N 3.37Å; E66-Q70 WeakPolarHBondContact O-CG 3.39Å; E66-Q70 PolarHBondContact O-N 3.09Å
67	G	96.2	Very high	94.5	Very high	20 Å²	20	66 Å²	66	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-36.8	175.7	0	0	0	0	0	112.5	R63 I64 Q70 I71	R63-G67 PolarHBondContact O-N 3.38Å; I64-G67 PolarHBondContact O-N 2.81Å; G67-Q70 PolarHBondContact O-N 3.45Å; G67-I71 VanDerWaalsContact O-CG1 3.25Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 2.99Å
68	M	93.7	Very high	94.3	Very high	38 Å²	38	63.3 Å²	63.3	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-67.2	-35.8	174.6	-71.9	-62.5	145.2	0	0	112.8	I64 N65 E66 I71 N72 Y105 I183 K186 A187 N190	I64-M68 HydrophobicContact CG2-CE 4.37Å; I64-M68 HydrophobicContact CG2-CG 4.44Å; I64-M68 VanDerWaalsContact O-CG 3.31Å; I64-M68 WeakPolarHBondContact O-CG 3.5Å; I64-M68 PolarHBondContact O-N 3.34Å; N65-M68 PolarHBondContact O-N 3.02Å; E66-M68 PolarHBondContact O-N 3.09Å; M68-I71 HydrophobicContact CE-CD1 4.3Å; M68-I71 HydrophobicContact SD-CD1 4.31Å; M68-N72 WeakPolarHBondContact O-CB 3.29Å; M68-N72 PolarHBondContact O-N 3.27Å; M68-Y105 PolarHBondContact O-OH 3.43Å; M68-I183 HydrophobicContact CG-CG2 4.36Å; M68-K186 HydrophobicContact CB-CB 3.73Å; M68-K186 HydrophobicContact CB-CD 3.76Å; M68-K186 HydrophobicContact CB-CG 4.38Å; M68-K186 HydrophobicContact CG-CB 4.19Å; M68-A187 HydrophobicContact CE-CB 4.47Å; M68-A187 HydrophobicContact SD-CB 3.98Å; M68-N190 PolarHBondContact O-ND2 2.74Å
69	D	92.7	Very high	94	Very high	63 Å²	63	64.7 Å²	64.7	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-38.3	173.5	-71	-34.2	0	0	0	112	N65 E66 N72 Q73 Y105 K186	N65-D69 PolarHBondContact O-N 2.92Å; E66-D69 WeakPolarHBondContact O-CB 3.24Å; E66-D69 PolarHBondContact O-N 3.37Å; D69-N72 WeakPolarHBondContact O-CB 3.48Å; D69-N72 PolarHBondContact O-N 2.84Å; D69-Q73 PolarHBondContact O-N 3.24Å; D69-Y105 PolarHBondContact OD1-OH 3.06Å; D69-K186 VanDerWaalsContact OD1-CE 3.22Å; D69-K186 WeakPolarHBondContact OD1-CE 3.5Å; D69-K186 IonicContact OD1-NZ 3.89Å; D69-K186 PolarHBondContact OD1-NZ 2.68Å; D69-K186 IonicContact OD2-NZ 2.83Å; D69-K186 PolarHBondContact OD2-NZ 2.96Å
70	Q	95.8	Very high	93.6	Very high	121 Å²	121	64.6 Å²	64.6	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-62.3	-50.5	173.6	-68.5	174	11.9	0	0	111.2	E66 G67 N72 Q73 D74	E66-Q70 WeakPolarHBondContact O-CG 3.39Å; E66-Q70 PolarHBondContact O-N 3.09Å; G67-Q70 PolarHBondContact O-N 3.45Å; Q70-N72 PolarHBondContact O-N 2.89Å; Q70-Q73 WeakPolarHBondContact O-CA 3Å; Q70-Q73 WeakPolarHBondContact O-CB 3.44Å; Q70-Q73 PolarHBondContact O-N 2.77Å; Q70-D74 PolarHBondContact O-N 2.99Å
71	I	94.7	Very high	93.2	Very high	62 Å²	62	65.2 Å²	65.2	32%	0.318	33%	0.327	S	S	.	.	H	α-helix	trans	-56.9	-41.5	175.8	-68.2	164.2	0	0	0	110.6	G67 M68 Q73 D74 M75 N190 I194	G67-I71 VanDerWaalsContact O-CG1 3.25Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 2.99Å; M68-I71 HydrophobicContact CE-CD1 4.3Å; M68-I71 HydrophobicContact SD-CD1 4.31Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 3.38Å; I71-D74 PolarHBondContact O-N 3.45Å; I71-M75 HydrophobicContact CG2-CG 4.26Å; I71-M75 WeakPolarHBondContact O-CB 3.3Å; I71-M75 VanDerWaalsContact O-CG 3.25Å; I71-M75 WeakPolarHBondContact O-CG 3.25Å; I71-M75 PolarHBondContact O-N 3.03Å; I71-N190 HydrophobicContact CG2-CB 3.88Å; I71-I194 HydrophobicContact CG2-CD1 4.23Å
72	N	92.5	Very high	92.7	Very high	9 Å²	9	65 Å²	65	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-37.9	177.9	174.8	60.8	0	0	0	112.4	M68 D69 Q70 K76 Y105 N190 R193	M68-N72 WeakPolarHBondContact O-CB 3.29Å; M68-N72 PolarHBondContact O-N 3.27Å; D69-N72 WeakPolarHBondContact O-CB 3.48Å; D69-N72 PolarHBondContact O-N 2.84Å; Q70-N72 PolarHBondContact O-N 2.89Å; N72-K76 WeakPolarHBondContact O-CG 3.46Å; N72-K76 PolarHBondContact O-N 2.9Å; N72-Y105 HydrophobicContact CB-CD1 4.46Å; N72-Y105 HydrophobicContact CB-CD2 3.9Å; N72-Y105 HydrophobicContact CB-CE1 4.09Å; N72-Y105 HydrophobicContact CB-CE2 3.48Å; N72-Y105 VanDerWaalsContact CB-CE2 3.48Å; N72-Y105 HydrophobicContact CB-CG 4.36Å; N72-Y105 VanDerWaalsContact CG-CE2 3.46Å; N72-Y105 VanDerWaalsContact CG-CG 3.41Å; N72-Y105 WeakPolarHBondContact ND2-CD1 3.37Å; N72-Y105 VanDerWaalsContact ND2-CE1 3.25Å; N72-Y105 WeakPolarHBondContact ND2-CE1 3.22Å; N72-Y105 WeakPolarHBondContact OD1-CB 3.39Å; N72-Y105 WeakPolarHBondContact OD1-CD2 3.27Å; N72-N190 VanDerWaalsContact CA-OD1 3.3Å; N72-N190 WeakPolarHBondContact CA-OD1 3.43Å; N72-N190 WeakPolarHBondContact CB-OD1 3.35Å; N72-R193 PolarHBondContact O-NH1 2.8Å; N72-R193 PolarHBondContact OD1-NH1 3.41Å
73	Q	93.3	Very high	92.2	Very high	84 Å²	84	63.6 Å²	63.6	39%	0.393	32%	0.318	S	S	.	.	H	α-helix	trans	-68.7	-46.9	174.6	-177.2	55.4	38	0	0	111.4	D69 Q70 I71 M75 K76 D77	D69-Q73 PolarHBondContact O-N 3.24Å; Q70-Q73 WeakPolarHBondContact O-CA 3Å; Q70-Q73 WeakPolarHBondContact O-CB 3.44Å; Q70-Q73 PolarHBondContact O-N 2.77Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 3.38Å; Q73-M75 PolarHBondContact O-N 3.47Å; Q73-K76 WeakPolarHBondContact O-CB 3.23Å; Q73-K76 PolarHBondContact O-N 3.41Å; Q73-D77 PolarHBondContact NE2-OD2 2.94Å; Q73-D77 VanDerWaalsContact NE2-OD2 3.1Å; Q73-D77 PolarHBondContact O-N 3.15Å; Q73-D77 VanDerWaalsContact O-N 3.15Å
74	D	93.9	Very high	91.5	Very high	105 Å²	105	61.6 Å²	61.6	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-57.3	-39.9	175.4	-69.5	-17.7	0	0	0	111.2	Q70 I71 K76 D77 A78	Q70-D74 PolarHBondContact O-N 2.99Å; I71-D74 PolarHBondContact O-N 3.45Å; D74-K76 VanDerWaalsContact C-N 3.32Å; D74-K76 PolarHBondContact O-N 2.84Å; D74-D77 PolarHBondContact O-N 3.5Å; D74-A78 WeakPolarHBondContact O-CB 3.39Å; D74-A78 PolarHBondContact O-N 3.29Å
75	M	91.2	Very high	90.8	Very high	17 Å²	17	64 Å²	64	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-33.9	175.6	-76.3	-51.7	-50.8	0	0	112.7	I71 Q73 D77 E79 R193 I194 A197	I71-M75 HydrophobicContact CG2-CG 4.26Å; I71-M75 WeakPolarHBondContact O-CB 3.3Å; I71-M75 VanDerWaalsContact O-CG 3.25Å; I71-M75 WeakPolarHBondContact O-CG 3.25Å; I71-M75 PolarHBondContact O-N 3.03Å; Q73-M75 PolarHBondContact O-N 3.47Å; M75-D77 VanDerWaalsContact C-N 3.3Å; M75-E79 VanDerWaalsContact O-CB 3.32Å; M75-E79 WeakPolarHBondContact O-CB 3.46Å; M75-E79 WeakPolarHBondContact O-CG 3.24Å; M75-E79 PolarHBondContact O-N 3.41Å; M75-R193 VanDerWaalsContact CB-CZ 3.47Å; M75-R193 HydrophobicContact CE-CB 3.86Å; M75-R193 WeakPolarHBondContact CE-O 3.41Å; M75-R193 HydrophobicContact CG-CB 4.48Å; M75-R193 PolarHBondContact O-NH2 3.15Å; M75-I194 HydrophobicContact CE-CG1 4.17Å; M75-I194 HydrophobicContact CG-CG1 4Å; M75-I194 HydrophobicContact SD-CB 4.25Å; M75-I194 HydrophobicContact SD-CD1 4.46Å; M75-I194 HydrophobicContact SD-CG1 3.33Å; M75-I194 WeakPolarHBondContact SD-CG1 3.47Å; M75-A197 HydrophobicContact CE-CB 3.62Å
76	K	91.4	Very high	89.7	Confident	58 Å²	58	64.3 Å²	64.3	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-38.7	175	-72.8	173.8	-177.8	170.7	0	110.6	N72 Q73 D74 K80 R193	N72-K76 WeakPolarHBondContact O-CG 3.46Å; N72-K76 PolarHBondContact O-N 2.9Å; Q73-K76 WeakPolarHBondContact O-CB 3.23Å; Q73-K76 PolarHBondContact O-N 3.41Å; D74-K76 VanDerWaalsContact C-N 3.32Å; D74-K76 PolarHBondContact O-N 2.84Å; K76-K80 VanDerWaalsContact O-CG 3.3Å; K76-K80 WeakPolarHBondContact O-CG 3.46Å; K76-K80 PolarHBondContact O-N 3.43Å; K76-K80 VanDerWaalsContact O-N 3.15Å; K76-R193 VanDerWaalsContact CA-NH2 3.26Å; K76-R193 VanDerWaalsContact CG-NH2 3.3Å
77	D	91.3	Very high	88.7	Confident	58 Å²	58	62 Å²	62	31%	0.31	32%	0.32	S	S	.	.	H	α-helix	trans	-77.4	-37.4	-179.2	-64.1	-30.4	0	0	0	111.2	Q73 D74 M75 K80 N81	Q73-D77 PolarHBondContact NE2-OD2 2.94Å; Q73-D77 VanDerWaalsContact NE2-OD2 3.1Å; Q73-D77 PolarHBondContact O-N 3.15Å; Q73-D77 VanDerWaalsContact O-N 3.15Å; D74-D77 PolarHBondContact O-N 3.5Å; M75-D77 VanDerWaalsContact C-N 3.3Å; D77-K80 PolarHBondContact O-N 3.08Å; D77-K80 IonicContact OD1-NZ 2.88Å; D77-K80 PolarHBondContact OD1-NZ 3.36Å; D77-N81 WeakPolarHBondContact O-CB 3.37Å; D77-N81 PolarHBondContact O-N 3.24Å; D77-N81 PolarHBondContact O-ND2 2.93Å
78	A	90.8	Very high	87	Confident	35 Å²	35	65.5 Å²	65.5	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-45.9	170.3	0	0	0	0	0	112.3	D74 K80 N81 L82	D74-A78 WeakPolarHBondContact O-CB 3.39Å; D74-A78 PolarHBondContact O-N 3.29Å; A78-K80 PolarHBondContact O-N 3.19Å; A78-N81 PolarHBondContact O-N 3.05Å; A78-L82 WeakPolarHBondContact O-CG 3.32Å; A78-L82 PolarHBondContact O-N 3.35Å
79	E	89	Confident	85.4	Confident	37 Å²	37	69 Å²	69	17%	0.173	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-40.4	176	-76.2	167.7	178.8	0	0	112	M75 L82 D83 R193	M75-E79 VanDerWaalsContact O-CB 3.32Å; M75-E79 WeakPolarHBondContact O-CB 3.46Å; M75-E79 WeakPolarHBondContact O-CG 3.24Å; M75-E79 PolarHBondContact O-N 3.41Å; E79-L82 PolarHBondContact O-N 3.13Å; E79-D83 WeakPolarHBondContact O-CB 3.36Å; E79-D83 PolarHBondContact O-N 2.86Å; E79-R193 IonicContact OE1-CZ 2.78Å; E79-R193 IonicContact OE1-NE 2.77Å; E79-R193 PolarHBondContact OE1-NE 2.83Å; E79-R193 IonicContact OE1-NH2 2.74Å; E79-R193 PolarHBondContact OE1-NH2 2.96Å; E79-R193 IonicContact OE2-CZ 3.9Å; E79-R193 IonicContact OE2-NE 3.16Å; E79-R193 IonicContact OE2-NH2 3.17Å; E79-R193 PolarHBondContact OE2-NH2 3.4Å
80	K	89.2	Confident	83.7	Confident	99 Å²	99	68.8 Å²	68.8	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-44.9	174	-71.6	170.9	-161.3	156.7	0	111.6	K76 D77 A78 L82 D83 D84	K76-K80 VanDerWaalsContact O-CG 3.3Å; K76-K80 WeakPolarHBondContact O-CG 3.46Å; K76-K80 PolarHBondContact O-N 3.43Å; K76-K80 VanDerWaalsContact O-N 3.15Å; D77-K80 PolarHBondContact O-N 3.08Å; D77-K80 IonicContact OD1-NZ 2.88Å; D77-K80 PolarHBondContact OD1-NZ 3.36Å; A78-K80 PolarHBondContact O-N 3.19Å; K80-L82 VanDerWaalsContact C-N 3.33Å; K80-L82 PolarHBondContact O-N 3.14Å; K80-D83 WeakPolarHBondContact O-CB 3.39Å; K80-D83 PolarHBondContact O-N 2.86Å; K80-D84 WeakPolarHBondContact O-CB 3.32Å; K80-D84 PolarHBondContact O-N 3.08Å
81	N	87.7	Confident	82.1	Confident	99 Å²	99	70.6 Å²	70.6	53%	0.529	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-40.1	179.5	-69.3	-17.5	0	0	0	111.6	D77 A78 D84 L85	D77-N81 WeakPolarHBondContact O-CB 3.37Å; D77-N81 PolarHBondContact O-N 3.24Å; D77-N81 PolarHBondContact O-ND2 2.93Å; A78-N81 PolarHBondContact O-N 3.05Å; N81-D84 PolarHBondContact O-N 3.5Å; N81-L85 VanDerWaalsContact O-CG 3.29Å; N81-L85 WeakPolarHBondContact O-CG 3.28Å; N81-L85 PolarHBondContact O-N 3.22Å
82	L	85.7	Confident	80.5	Confident	23 Å²	23	71.6 Å²	71.6	12%	0.12	41%	0.405	C	S	.	.	H	α-helix	trans	-66.8	-40.9	174.6	-70.3	171.7	0	0	0	112.2	A78 E79 K80 D84 L85 N86 A197 Q200 A201 L204	A78-L82 WeakPolarHBondContact O-CG 3.32Å; A78-L82 PolarHBondContact O-N 3.35Å; E79-L82 PolarHBondContact O-N 3.13Å; K80-L82 VanDerWaalsContact C-N 3.33Å; K80-L82 PolarHBondContact O-N 3.14Å; L82-D84 VanDerWaalsContact C-N 3.31Å; L82-D84 PolarHBondContact O-N 2.73Å; L82-L85 PolarHBondContact O-N 2.88Å; L82-N86 WeakPolarHBondContact O-CB 3.46Å; L82-N86 PolarHBondContact O-N 3.22Å; L82-A197 HydrophobicContact CD1-CB 3.61Å; L82-A197 WeakPolarHBondContact CD1-O 3.45Å; L82-Q200 HydrophobicContact CD1-CB 4.19Å; L82-A201 HydrophobicContact CD2-CB 3.89Å; L82-L204 HydrophobicContact CD2-CD1 3.88Å
83	D	84.4	Confident	78.7	Confident	52 Å²	52	74.5 Å²	74.5	28%	0.278	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-40.3	174.3	-73.1	-27.3	0	0	0	111.6	E79 K80 N86 K101	E79-D83 WeakPolarHBondContact O-CB 3.36Å; E79-D83 PolarHBondContact O-N 2.86Å; K80-D83 WeakPolarHBondContact O-CB 3.39Å; K80-D83 PolarHBondContact O-N 2.86Å; D83-N86 PolarHBondContact O-N 3.13Å; D83-K101 WeakPolarHBondContact OD2-CE 3.39Å; D83-K101 IonicContact OD2-NZ 2.67Å; D83-K101 PolarHBondContact OD2-NZ 3.27Å
84	D	83.6	Confident	77.1	Confident	87 Å²	87	74 Å²	74	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-67.5	-41.6	178	-76.1	-19.9	0	0	0	111.8	K80 N81 L82 N86 K87	K80-D84 WeakPolarHBondContact O-CB 3.32Å; K80-D84 PolarHBondContact O-N 3.08Å; N81-D84 PolarHBondContact O-N 3.5Å; L82-D84 VanDerWaalsContact C-N 3.31Å; L82-D84 PolarHBondContact O-N 2.73Å; D84-N86 VanDerWaalsContact C-N 3.27Å; D84-N86 PolarHBondContact O-N 3.43Å; D84-K87 WeakPolarHBondContact O-CB 3.44Å; D84-K87 PolarHBondContact O-N 2.96Å; D84-K87 WeakPolarHBondContact OD1-CE 3.36Å; D84-K87 IonicContact OD1-NZ 3.5Å; D84-K87 PolarHBondContact OD1-NZ 3.48Å
85	L	79.8	Confident	75.4	Confident	128 Å²	128	73.7 Å²	73.7	67%	0.67	43%	0.426	S	S	*	.	H	α-helix	trans	-65.4	-28.3	174.2	-72.3	171.6	0	0	0	113	N81 L82 K87 L204	N81-L85 VanDerWaalsContact O-CG 3.29Å; N81-L85 WeakPolarHBondContact O-CG 3.28Å; N81-L85 PolarHBondContact O-N 3.22Å; L82-L85 PolarHBondContact O-N 2.88Å; L85-K87 VanDerWaalsContact C-N 3.25Å; L85-K87 PolarHBondContact O-N 3.47Å; L85-L204 HydrophobicContact CB-CD1 3.91Å
86	N	72.1	Confident	73.7	Confident	40 Å²	40	83.7 Å²	83.7	21%	0.214	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2	179.1	-160.2	22.3	0	0	0	113.6	L82 D83 D84 C88 L204	L82-N86 WeakPolarHBondContact O-CB 3.46Å; L82-N86 PolarHBondContact O-N 3.22Å; D83-N86 PolarHBondContact O-N 3.13Å; D84-N86 VanDerWaalsContact C-N 3.27Å; D84-N86 PolarHBondContact O-N 3.43Å; N86-C88 PolarHBondContact O-N 3.33Å; N86-L204 HydrophobicContact CB-CD2 4.25Å
87	K	73.7	Confident	72	Confident	66 Å²	66	85 Å²	85	29%	0.287	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-81.1	110.6	175.1	-68.4	169.3	-175.1	167.7	0	110	D84 L85 C89 G90 V93	D84-K87 WeakPolarHBondContact O-CB 3.44Å; D84-K87 PolarHBondContact O-N 2.96Å; D84-K87 WeakPolarHBondContact OD1-CE 3.36Å; D84-K87 IonicContact OD1-NZ 3.5Å; D84-K87 PolarHBondContact OD1-NZ 3.48Å; L85-K87 VanDerWaalsContact C-N 3.25Å; L85-K87 PolarHBondContact O-N 3.47Å; K87-C89 PolarHBondContact O-N 3.46Å; K87-G90 PolarHBondContact O-N 2.84Å; K87-V93 HydrophobicContact CG-CG2 3.95Å
88	C	59.8	Low	70.1	Confident	94 Å²	94	91 Å²	91	64%	0.635	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.9	-174.8	-175.8	0	0	0	0	114.9	N86 C92 L94	N86-C88 PolarHBondContact O-N 3.33Å; C88-C92 PolarHBondContact N-O 2.94Å; C88-L94 HydrophobicContact CB-CD2 4.41Å; C88-L94 HydrophobicContact CB-CG 4.26Å
89	C	61.6	Low	68.5	Low	112 Å²	112	94.7 Å²	94.7	76%	0.757	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	33	176.7	-62.3	0	0	0	0	113	K87 L91	K87-C89 PolarHBondContact O-N 3.46Å; C89-L91 PolarHBondContact O-N 3.1Å
90	G	56.4	Low	66.7	Low	59 Å²	59	102.3 Å²	102.3	61%	0.608	55%	0.547	S	S	*	.	S	Bend	trans	71.9	-26.1	-178.6	0	0	0	0	0	116.6	K87	K87-G90 PolarHBondContact O-N 2.84Å
91	L	62.6	Low	64.9	Low	159 Å²	159	103.1 Å²	103.1	83%	0.832	55%	0.551	S	S	*	*	S	Bend	trans	-104.4	-27.1	-177	-165.9	64.7	0	0	0	114.6	C89	C89-L91 PolarHBondContact O-N 3.1Å
92	C	60.3	Low	63.2	Low	83 Å²	83	104.9 Å²	104.9	56%	0.561	55%	0.554	S	S	*	*			trans	-118.2	114.9	-177.7	-57.2	0	0	0	0	110.6	C88 L94	C88-C92 PolarHBondContact N-O 2.94Å; C92-L94 PolarHBondContact O-N 3.34Å
93	V	56	Low	61.9	Low	70 Å²	70	109.1 Å²	109.1	42%	0.424	58%	0.576	S	S	.	*	B	Isolated β-bridge	trans	-61.8	129.3	157.8	-179.5	0	0	0	0	106.2	K87 P95	K87-V93 HydrophobicContact CG-CG2 3.95Å; V93-P95 WeakPolarHBondContact O-CD 3.37Å; V93-P95 VanDerWaalsContact O-N 3.08Å
94	L	59.1	Low	61	Low	73 Å²	73	108.9 Å²	108.9	38%	0.382	58%	0.575	S	S	.	*			trans	-47.3	121.1	172.1	-78.9	155.9	0	0	0	108.2	C88 C92 W96 N97	C88-L94 HydrophobicContact CB-CD2 4.41Å; C88-L94 HydrophobicContact CB-CG 4.26Å; C92-L94 PolarHBondContact O-N 3.34Å; L94-W96 PolarHBondContact O-N 2.98Å; L94-N97 PolarHBondContact O-N 3.24Å; L94-N97 VanDerWaalsContact O-N 3.13Å
95	P	57.6	Low	60.1	Low	99 Å²	99	105.2 Å²	105.2	64%	0.643	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-17.6	-170.3	-28.8	33.1	0	0	0	115.3	V93	V93-P95 WeakPolarHBondContact O-CD 3.37Å; V93-P95 VanDerWaalsContact O-N 3.08Å
96	W	55.8	Low	59.7	Low	226 Å²	226	102 Å²	102	86%	0.856	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.2	-172.5	-47.5	78.5	0	0	0	114	L94	L94-W96 PolarHBondContact O-N 2.98Å
97	N	56	Low	59.7	Low	87 Å²	87	105.6 Å²	105.6	47%	0.465	55%	0.554	S	S	.	*			trans	-125.8	39.3	-174.6	-84.8	-19.6	0	0	0	115.1	L94 V99	L94-N97 PolarHBondContact O-N 3.24Å; L94-N97 VanDerWaalsContact O-N 3.13Å; N97-V99 VanDerWaalsContact C-N 3.25Å; N97-V99 PolarHBondContact O-N 2.87Å
98	K	51.8	Low	59.4	Low	182 Å²	182	105.7 Å²	105.7	79%	0.791	56%	0.556	S	S	*	*			trans	-73	76.3	168.7	-65.7	-175.4	-177.7	179.9	0	110.9	K100	K98-K100 PolarHBondContact O-N 2.99Å
99	V	55.7	Low	59.8	Low	113 Å²	113	102.5 Å²	102.5	69%	0.685	53%	0.532	S	S	*	.			trans	-78.5	117.7	168.3	-163.7	0	0	0	0	107.6	N97 K101	N97-V99 VanDerWaalsContact C-N 3.25Å; N97-V99 PolarHBondContact O-N 2.87Å; V99-K101 PolarHBondContact O-N 3.37Å
100	K	52	Low	60.1	Low	197 Å²	197	103.6 Å²	103.6	86%	0.857	52%	0.524	S	S	*	.			trans	-65.2	115.7	176.7	-69.3	-176.9	178.5	178.5	0	108.7	K98 K102	K98-K100 PolarHBondContact O-N 2.99Å; K100-K102 PolarHBondContact O-N 2.94Å
101	K	51.7	Low	60.2	Low	116 Å²	116	105.8 Å²	105.8	50%	0.504	52%	0.522	S	S	.	.			trans	-61.3	116.8	168.4	-70.8	-172.6	178.4	179.7	0	107.9	D83 V99	D83-K101 WeakPolarHBondContact OD2-CE 3.39Å; D83-K101 IonicContact OD2-NZ 2.67Å; D83-K101 PolarHBondContact OD2-NZ 3.27Å; V99-K101 PolarHBondContact O-N 3.37Å
102	K	51.1	Low	59.7	Low	136 Å²	136	101.5 Å²	101.5	59%	0.591	50%	0.498	S	S	*	.			trans	-113.6	117.4	171.2	-159.1	171.4	165.8	-109.5	0	105.2	K100 D104	K100-K102 PolarHBondContact O-N 2.94Å; K102-D104 WeakPolarHBondContact CD-OD1 3.39Å; K102-D104 WeakPolarHBondContact CE-OD1 3.44Å; K102-D104 VanDerWaalsContact CG-OD1 3.32Å; K102-D104 WeakPolarHBondContact CG-OD1 3.17Å; K102-D104 IonicContact NZ-OD1 2.65Å; K102-D104 PolarHBondContact NZ-OD1 3Å; K102-D104 IonicContact NZ-OD2 2.72Å; K102-D104 PolarHBondContact O-N 3.35Å
103	D	58	Low	59.4	Low	112 Å²	112	101.9 Å²	101.9	60%	0.599	49%	0.494	S	S	*	.			trans	-70.9	62.4	175.6	-63.4	-46.6	0	0	0	109.5	Y105 T106 K107	D103-Y105 PolarHBondContact O-N 3.23Å; D103-T106 PolarHBondContact O-N 3.37Å; D103-K107 PolarHBondContact O-N 3.09Å
104	D	65.4	Low	59.1	Low	47 Å²	47	106.9 Å²	106.9	25%	0.251	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-26.7	-178.3	-78.8	-26.4	0	0	0	110.5	K102 K107 Q108	K102-D104 WeakPolarHBondContact CD-OD1 3.39Å; K102-D104 WeakPolarHBondContact CE-OD1 3.44Å; K102-D104 VanDerWaalsContact CG-OD1 3.32Å; K102-D104 WeakPolarHBondContact CG-OD1 3.17Å; K102-D104 IonicContact NZ-OD1 2.65Å; K102-D104 PolarHBondContact NZ-OD1 3Å; K102-D104 IonicContact NZ-OD2 2.72Å; K102-D104 PolarHBondContact O-N 3.35Å; D104-K107 PolarHBondContact O-N 3.04Å; D104-Q108 VanDerWaalsContact O-CB 3.27Å; D104-Q108 WeakPolarHBondContact O-CB 3.43Å; D104-Q108 WeakPolarHBondContact O-CG 3.46Å; D104-Q108 PolarHBondContact O-N 3.17Å
105	Y	66.6	Low	58.7	Low	11 Å²	11	113.6 Å²	113.6	4%	0.043	54%	0.535	C	S	.	.	H	α-helix	trans	-55.8	-60.8	174.5	-172.5	-88.5	0	0	0	112.5	M68 D69 N72 D103 K107 Q108 L109 K186	M68-Y105 PolarHBondContact O-OH 3.43Å; D69-Y105 PolarHBondContact OD1-OH 3.06Å; N72-Y105 HydrophobicContact CB-CD1 4.46Å; N72-Y105 HydrophobicContact CB-CD2 3.9Å; N72-Y105 HydrophobicContact CB-CE1 4.09Å; N72-Y105 HydrophobicContact CB-CE2 3.48Å; N72-Y105 VanDerWaalsContact CB-CE2 3.48Å; N72-Y105 HydrophobicContact CB-CG 4.36Å; N72-Y105 VanDerWaalsContact CG-CE2 3.46Å; N72-Y105 VanDerWaalsContact CG-CG 3.41Å; N72-Y105 WeakPolarHBondContact ND2-CD1 3.37Å; N72-Y105 VanDerWaalsContact ND2-CE1 3.25Å; N72-Y105 WeakPolarHBondContact ND2-CE1 3.22Å; N72-Y105 WeakPolarHBondContact OD1-CB 3.39Å; N72-Y105 WeakPolarHBondContact OD1-CD2 3.27Å; D103-Y105 PolarHBondContact O-N 3.23Å; Y105-K107 VanDerWaalsContact C-N 3.28Å; Y105-K107 PolarHBondContact O-N 3.19Å; Y105-Q108 PolarHBondContact O-N 3.34Å; Y105-L109 HydrophobicContact CD1-CD1 4.35Å; Y105-L109 HydrophobicContact CE1-CD1 4.25Å; Y105-L109 WeakPolarHBondContact O-CD1 3.37Å; Y105-L109 PolarHBondContact O-N 2.91Å; Y105-K186 HydrophobicContact CE1-CG 4.48Å; Y105-K186 HydrophobicContact CE2-CB 3.71Å; Y105-K186 HydrophobicContact CE2-CG 3.81Å; Y105-K186 WeakPolarHBondContact OH-CD 3.38Å; Y105-K186 WeakPolarHBondContact OH-CE 3.3Å; Y105-K186 WeakPolarHBondContact OH-CG 3.38Å
106	T	70.8	Confident	58.1	Low	60 Å²	60	111.1 Å²	111.1	37%	0.368	53%	0.528	S	S	.	.	H	α-helix	trans	-68.7	-30.8	-177.4	-49.3	0	0	0	0	111.6	D103 K110	D103-T106 PolarHBondContact O-N 3.37Å; T106-K110 HydrophobicContact CG2-CD 4.49Å; T106-K110 WeakPolarHBondContact O-CG 3.3Å; T106-K110 PolarHBondContact O-N 3.29Å
107	K	72.2	Confident	57.7	Low	115 Å²	115	103.4 Å²	103.4	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-46.2	178.2	-169.1	-179	177.7	-175.2	0	111.7	D103 D104 Y105 L109 K110 D111	D103-K107 PolarHBondContact O-N 3.09Å; D104-K107 PolarHBondContact O-N 3.04Å; Y105-K107 VanDerWaalsContact C-N 3.28Å; Y105-K107 PolarHBondContact O-N 3.19Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.9Å; K107-K110 PolarHBondContact O-N 2.92Å; K107-D111 PolarHBondContact O-N 2.89Å; K107-D111 VanDerWaalsContact O-N 3.15Å
108	Q	66.8	Low	57.2	Low	68 Å²	68	106.3 Å²	106.3	32%	0.318	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-36.7	179.1	-72.6	173.1	17.7	0	0	111.8	D104 Y105 I185	D104-Q108 VanDerWaalsContact O-CB 3.27Å; D104-Q108 WeakPolarHBondContact O-CB 3.43Å; D104-Q108 WeakPolarHBondContact O-CG 3.46Å; D104-Q108 PolarHBondContact O-N 3.17Å; Y105-Q108 PolarHBondContact O-N 3.34Å; Q108-I185 HydrophobicContact CB-CG2 3.63Å
109	L	67.8	Low	56.8	Low	27 Å²	27	100.4 Å²	100.4	14%	0.141	53%	0.525	C	S	.	.	H	α-helix	trans	-65.8	-45.8	174.5	-94.4	79.7	0	0	0	112.9	Y105 K107 D111 E112 D113 I185 K186	Y105-L109 HydrophobicContact CD1-CD1 4.35Å; Y105-L109 HydrophobicContact CE1-CD1 4.25Å; Y105-L109 WeakPolarHBondContact O-CD1 3.37Å; Y105-L109 PolarHBondContact O-N 2.91Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.9Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.78Å; L109-E112 PolarHBondContact O-N 2.79Å; L109-D113 PolarHBondContact O-N 2.85Å; L109-I185 HydrophobicContact CD1-CG2 3.97Å; L109-K186 HydrophobicContact CD1-CG 3.85Å; L109-K186 HydrophobicContact CD2-CG 4.45Å
110	K	67.4	Low	56.2	Low	136 Å²	136	100.5 Å²	100.5	59%	0.591	53%	0.528	S	S	*	.	H	α-helix	trans	-64.2	-32.3	-178.6	-78.1	-176.2	176.6	-172.4	0	113.3	T106 K107 E112 M114	T106-K110 HydrophobicContact CG2-CD 4.49Å; T106-K110 WeakPolarHBondContact O-CG 3.3Å; T106-K110 PolarHBondContact O-N 3.29Å; K107-K110 PolarHBondContact O-N 2.92Å; K110-E112 PolarHBondContact O-N 3.14Å; K110-M114 WeakPolarHBondContact O-CG 3.41Å
111	D	59.5	Low	55.8	Low	104 Å²	104	101.8 Å²	101.8	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-67.8	-22.2	176.9	-68.5	-24.2	0	0	0	111.5	K107 L109	K107-D111 PolarHBondContact O-N 2.89Å; K107-D111 VanDerWaalsContact O-N 3.15Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.78Å
112	E	52.3	Low	55.7	Low	70 Å²	70	102.7 Å²	102.7	33%	0.327	54%	0.536	S	S	.	.	H	α-helix	trans	-98.7	-34.6	177.3	-69.1	-128.6	148.6	0	0	114.9	L109 K110 M114 R115 G116 I185	L109-E112 PolarHBondContact O-N 2.79Å; K110-E112 PolarHBondContact O-N 3.14Å; E112-M114 PolarHBondContact O-N 3.3Å; E112-M114 VanDerWaalsContact O-N 3.07Å; E112-R115 WeakPolarHBondContact O-CA 3.45Å; E112-R115 WeakPolarHBondContact O-CB 3.44Å; E112-R115 PolarHBondContact O-N 3.41Å; E112-G116 PolarHBondContact O-N 2.9Å; E112-I185 HydrophobicContact CB-CD1 4.32Å; E112-I185 HydrophobicContact CG-CD1 3.53Å; E112-I185 WeakPolarHBondContact OE2-CD1 3.48Å
113	D	53.4	Low	55.6	Low	91 Å²	91	103.7 Å²	103.7	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-58.7	-23.4	174.4	-74.9	-31	0	0	0	111.7	L109 R115 R182	L109-D113 PolarHBondContact O-N 2.85Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.25Å; D113-R182 IonicContact OD1-NH1 2.84Å
114	M	49	Very low	55.1	Low	174 Å²	174	102.3 Å²	102.3	86%	0.857	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.5	172.6	-69.9	-76.7	-95	0	0	114.1	K110 E112	K110-M114 WeakPolarHBondContact O-CG 3.41Å; E112-M114 PolarHBondContact O-N 3.3Å; E112-M114 VanDerWaalsContact O-N 3.07Å
115	R	52.4	Low	54.2	Low	214 Å²	214	105.7 Å²	105.7	81%	0.808	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-23.8	179.1	-74.8	-177.6	152.6	-171	-6.4	114	E112 D113 G117	E112-R115 WeakPolarHBondContact O-CA 3.45Å; E112-R115 WeakPolarHBondContact O-CB 3.44Å; E112-R115 PolarHBondContact O-N 3.41Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.25Å; R115-G117 PolarHBondContact O-N 2.88Å; R115-G117 VanDerWaalsContact O-N 3.08Å
116	G	45.4	Very low	53.5	Low	48 Å²	48	114.2 Å²	114.2	50%	0.495	60%	0.601	S	S	.	*			trans	-81.8	35.2	-177.4	0	0	0	0	0	115.4	E112 D118	E112-G116 PolarHBondContact O-N 2.9Å; G116-D118 PolarHBondContact O-N 3.15Å
117	G	45.6	Very low	52.2	Low	64 Å²	64	117.8 Å²	117.8	66%	0.66	62%	0.618	S	S	*	*			trans	-62.5	120.3	179.5	0	0	0	0	0	111.8	R115 G119	R115-G117 PolarHBondContact O-N 2.88Å; R115-G117 VanDerWaalsContact O-N 3.08Å; G117-G119 PolarHBondContact O-N 3.08Å; G117-G119 VanDerWaalsContact O-N 3.09Å
118	D	45.2	Very low	50.9	Low	147 Å²	147	115.7 Å²	115.7	79%	0.786	63%	0.629	S	S	*	*			trans	6.3	88.1	158.4	-159.8	64.4	0	0	0	113.8	G116	G116-D118 PolarHBondContact O-N 3.15Å
119	G	43.5	Very low	49.7	Very low	59 Å²	59	121.4 Å²	121.4	61%	0.608	66%	0.657	S	S	*	*			trans	-59.8	128.4	172.5	0	0	0	0	0	108.8	G117 R121	G117-G119 PolarHBondContact O-N 3.08Å; G117-G119 VanDerWaalsContact O-N 3.09Å; G119-R121 PolarHBondContact O-N 2.86Å
120	P	43.9	Very low	48.9	Very low	115 Å²	115	122.7 Å²	122.7	75%	0.747	68%	0.677	S	S	*	*			trans	-61.8	124	-171	22.1	-31.3	0	0	0	110.2	I122	P120-I122 PolarHBondContact O-N 3.44Å
121	R	43.4	Very low	48.1	Very low	224 Å²	224	121.4 Å²	121.4	85%	0.845	68%	0.683	S	S	*	*			trans	-54	113.5	162.7	-64.3	-175.8	-176.4	-158.5	-2	106.9	G119 I123	G119-R121 PolarHBondContact O-N 2.86Å; R121-I123 VanDerWaalsContact C-N 3.33Å; R121-I123 PolarHBondContact O-N 3.01Å
122	I	50.7	Low	48	Very low	134 Å²	134	123.9 Å²	123.9	69%	0.687	70%	0.702	S	S	*	*			trans	-68.7	98.6	174.8	-59	178.1	0	0	0	106.4	P120 V124	P120-I122 PolarHBondContact O-N 3.44Å; I122-V124 VanDerWaalsContact C-N 3.33Å; I122-V124 HydrophobicContact CG2-CG2 3.75Å; I122-V124 PolarHBondContact O-N 3.21Å; I122-V124 VanDerWaalsContact O-N 3.08Å
123	I	47.5	Very low	48.5	Very low	157 Å²	157	123.2 Å²	123.2	81%	0.805	71%	0.714	S	S	*	*			trans	-71.1	97.9	162.7	-57	173.9	0	0	0	104.9	R121 D125	R121-I123 VanDerWaalsContact C-N 3.33Å; R121-I123 PolarHBondContact O-N 3.01Å; I123-D125 PolarHBondContact O-N 3.05Å; I123-D125 VanDerWaalsContact O-N 3.15Å
124	V	49.3	Very low	49.6	Very low	84 Å²	84	120.5 Å²	120.5	51%	0.509	71%	0.708	S	S	.	*			trans	-72.9	108.4	170.5	-170.2	0	0	0	0	106.5	I122 Q126 I167	I122-V124 VanDerWaalsContact C-N 3.33Å; I122-V124 HydrophobicContact CG2-CG2 3.75Å; I122-V124 PolarHBondContact O-N 3.21Å; I122-V124 VanDerWaalsContact O-N 3.08Å; V124-Q126 PolarHBondContact O-N 3.13Å; V124-I167 HydrophobicContact CG2-CD1 4.22Å
125	D	46.2	Very low	51.2	Low	117 Å²	117	118 Å²	118	63%	0.626	69%	0.69	S	S	*	*			trans	-55.8	117.2	175.6	-177	25.1	0	0	0	110	I123 N127	I123-D125 PolarHBondContact O-N 3.05Å; I123-D125 VanDerWaalsContact O-N 3.15Å; D125-N127 PolarHBondContact O-N 3.37Å; D125-N127 PolarHBondContact OD1-ND2 3.42Å; D125-N127 PolarHBondContact OD2-ND2 3.27Å
126	Q	51.6	Low	52.5	Low	191 Å²	191	109.5 Å²	109.5	89%	0.893	66%	0.66	S	S	*	*			trans	-78.9	71.6	178.5	-175.1	-175.2	-36.4	0	0	108.6	V124	V124-Q126 PolarHBondContact O-N 3.13Å
127	N	42.4	Very low	54.2	Low	135 Å²	135	113 Å²	113	72%	0.722	67%	0.671	S	S	*	*			trans	-129.4	106.3	178.2	-91.4	-31.4	0	0	0	111.7	D125	D125-N127 PolarHBondContact O-N 3.37Å; D125-N127 PolarHBondContact OD1-ND2 3.42Å; D125-N127 PolarHBondContact OD2-ND2 3.27Å
128	G	45.3	Very low	55.9	Low	71 Å²	71	116.1 Å²	116.1	73%	0.732	66%	0.663	S	S	*	*			trans	169.7	79.1	171.8	0	0	0	0	0	110.6	G130	G128-G130 PolarHBondContact O-N 2.97Å; G128-G130 VanDerWaalsContact O-N 3.08Å
129	M	42.3	Very low	57.5	Low	187 Å²	187	115.1 Å²	115.1	92%	0.921	66%	0.657	S	S	*	*			trans	-46.9	115.5	168.1	-59.9	-172.6	94.4	0	0	109.3
130	G	49.9	Very low	59.2	Low	54 Å²	54	114.5 Å²	114.5	56%	0.557	64%	0.641	S	S	*	*			trans	-62	148.8	165.3	0	0	0	0	0	109.3	G128 T132	G128-G130 PolarHBondContact O-N 2.97Å; G128-G130 VanDerWaalsContact O-N 3.08Å; G130-T132 PolarHBondContact O-N 2.97Å
131	P	50.8	Low	61	Low	109 Å²	109	114 Å²	114	71%	0.708	63%	0.632	S	S	*	*			trans	-53.6	131.9	173	23	-30.4	0	0	0	108.3	G133	P131-G133 PolarHBondContact O-N 3.35Å
132	T	58	Low	63.2	Low	156 Å²	156	105.1 Å²	105.1	96%	0.957	60%	0.602	S	S	*	*	S	Bend	trans	-61.5	14.9	-177.2	34.1	0	0	0	0	114.8	G130	G130-T132 PolarHBondContact O-N 2.97Å
133	G	63.6	Low	65	Low	56 Å²	56	102.3 Å²	102.3	58%	0.577	60%	0.598	S	S	*	*	S	Bend	trans	-136.4	74.6	-180	0	0	0	0	0	111.4	P131	P131-G133 PolarHBondContact O-N 3.35Å
134	G	74.8	Confident	67.1	Low	35 Å²	35	97.5 Å²	97.5	36%	0.361	57%	0.57	S	S	.	*			trans	62.9	175.8	170.3	0	0	0	0	0	115.5	D149	G134-D149 WeakPolarHBondContact CA-OD1 3.34Å
135	Y	83	Confident	69	Low	122 Å²	122	93.8 Å²	93.8	48%	0.478	55%	0.547	S	S	.	.	S	Bend	trans	-82.7	-21.1	165.4	-65.8	-89.2	0	0	0	111.7	D149 L152 Q153 S156	Y135-D149 PolarHBondContact N-OD1 3.44Å; Y135-L152 HydrophobicContact CD1-CB 4.42Å; Y135-L152 HydrophobicContact CD2-CB 4.07Å; Y135-L152 HydrophobicContact CG-CB 3.76Å; Y135-Q153 HydrophobicContact CD2-CB 4.09Å; Y135-Q153 HydrophobicContact CE2-CB 3.73Å; Y135-Q153 HydrophobicContact CE2-CG 4.09Å; Y135-S156 VanDerWaalsContact CZ-CB 3.45Å; Y135-S156 WeakPolarHBondContact OH-CB 3.49Å; Y135-S156 PolarHBondContact OH-OG 3.49Å
136	I	80	Confident	71.2	Confident	35 Å²	35	91.6 Å²	91.6	18%	0.179	54%	0.536	C	S	.	.	S	Bend	trans	-111.7	126.8	-177.9	-60.8	-59.7	0	0	0	111.7	R138 M148 D149 L152	I136-R138 PolarHBondContact O-N 2.8Å; I136-M148 HydrophobicContact CD1-CG 3.87Å; I136-M148 HydrophobicContact CD1-SD 3.45Å; I136-M148 WeakPolarHBondContact CD1-SD 3.3Å; I136-M148 HydrophobicContact CG1-CB 4.17Å; I136-M148 HydrophobicContact CG1-CG 3.81Å; I136-M148 HydrophobicContact CG1-SD 3.83Å; I136-M148 HydrophobicContact CG2-SD 4.38Å; I136-D149 HydrophobicContact CB-CB 4.39Å; I136-D149 HydrophobicContact CG1-CB 4.42Å; I136-D149 PolarHBondContact N-OD1 3.24Å; I136-L152 HydrophobicContact CD1-CD1 3.35Å; I136-L152 HydrophobicContact CD1-CG 4.48Å; I136-L152 HydrophobicContact CG1-CD1 3.84Å
137	T	82.2	Confident	73.1	Confident	121 Å²	121	85.4 Å²	85.4	74%	0.742	51%	0.506	S	S	*	.			trans	-69	118.6	166.7	-56.6	0	0	0	0	109.4	I139	T137-I139 PolarHBondContact O-N 3.14Å
138	R	80.3	Confident	75.4	Confident	130 Å²	130	79.7 Å²	79.7	49%	0.491	48%	0.475	S	S	.	.			trans	-70.5	123.9	179.4	-63.7	177	177.1	-113.6	-10	111.4	I136 N141 E145 D146	I136-R138 PolarHBondContact O-N 2.8Å; R138-N141 WeakPolarHBondContact CD-OD1 3.31Å; R138-N141 PolarHBondContact NH1-OD1 3.22Å; R138-E145 VanDerWaalsContact CA-OE2 3.24Å; R138-E145 WeakPolarHBondContact CA-OE2 3.2Å; R138-D146 IonicContact CZ-OD1 2.78Å; R138-D146 IonicContact NH1-OD1 3.63Å; R138-D146 PolarHBondContact NH1-OD1 3.3Å; R138-D146 IonicContact NH2-OD1 3.29Å; R138-D146 PolarHBondContact NH2-OD1 3.49Å
139	I	78.4	Confident	77.6	Confident	126 Å²	126	77.7 Å²	77.7	65%	0.646	45%	0.448	S	S	*	.	S	Bend	trans	-117.9	-53.9	179.2	-60.5	176.3	0	0	0	110.1	M22 T137 E145	M22-I139 HydrophobicContact SD-CG2 4.14Å; T137-I139 PolarHBondContact O-N 3.14Å; I139-E145 PolarHBondContact N-OE1 3Å; I139-E145 PolarHBondContact N-OE2 3.27Å
140	T	79.6	Confident	80.1	Confident	46 Å²	46	73.8 Å²	73.8	28%	0.282	43%	0.428	S	S	.	.	S	Bend	trans	-89.4	-22.5	177.6	60.8	0	0	0	0	112.1	M22 D142 E145	M22-T140 HydrophobicContact CG-CG2 4.37Å; M22-T140 HydrophobicContact SD-CG2 3.78Å; T140-D142 VanDerWaalsContact C-N 3.28Å; T140-D142 PolarHBondContact O-N 3.26Å; T140-D142 VanDerWaalsContact OG1-CG 3.26Å; T140-D142 PolarHBondContact OG1-OD2 3.18Å; T140-E145 WeakPolarHBondContact CB-OE1 3.47Å; T140-E145 PolarHBondContact N-OE1 3.45Å; T140-E145 PolarHBondContact N-OE2 3.26Å; T140-E145 PolarHBondContact OG1-OE1 2.68Å
141	N	81.9	Confident	82.2	Confident	103 Å²	103	71.7 Å²	71.7	55%	0.551	40%	0.404	S	S	*	.			trans	52.1	47.4	-177.7	-168.9	61.3	0	0	0	111.8	R138 E145	R138-N141 WeakPolarHBondContact CD-OD1 3.31Å; R138-N141 PolarHBondContact NH1-OD1 3.22Å; N141-E145 WeakPolarHBondContact CA-OE2 3.25Å; N141-E145 PolarHBondContact N-OE2 3.44Å
142	D	88.7	Confident	84.2	Confident	39 Å²	39	68.1 Å²	68.1	21%	0.209	38%	0.379	C	S	.	.	S	Bend	trans	-110.3	173.9	179.2	74.4	15.1	0	0	0	112.3	T140 R144 E145 D146	T140-D142 VanDerWaalsContact C-N 3.28Å; T140-D142 PolarHBondContact O-N 3.26Å; T140-D142 VanDerWaalsContact OG1-CG 3.26Å; T140-D142 PolarHBondContact OG1-OD2 3.18Å; D142-R144 PolarHBondContact O-N 3Å; D142-R144 WeakPolarHBondContact OD1-CA 3.15Å; D142-R144 VanDerWaalsContact OD1-CB 3.27Å; D142-R144 WeakPolarHBondContact OD1-CB 3.37Å; D142-R144 PolarHBondContact OD1-N 2.82Å; D142-R144 IonicContact OD1-NE 3.8Å; D142-R144 IonicContact OD2-CZ 3.19Å; D142-R144 IonicContact OD2-NE 2.83Å; D142-R144 PolarHBondContact OD2-NE 3.24Å; D142-R144 IonicContact OD2-NH2 2.7Å; D142-R144 PolarHBondContact OD2-NH2 3.15Å; D142-E145 PolarHBondContact O-N 3Å; D142-E145 PolarHBondContact OD1-N 3.4Å; D142-D146 PolarHBondContact O-N 3.44Å
143	A	89.7	Confident	85.8	Confident	75 Å²	75	66.5 Å²	66.5	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-63.9	-20.4	-178.9	0	0	0	0	0	113.7	E147	A143-E147 PolarHBondContact O-N 2.9Å
144	R	91.2	Very high	87.3	Confident	55 Å²	55	68.2 Å²	68.2	21%	0.208	35%	0.353	C	S	.	.	H	α-helix	trans	-74.6	-41.4	177.6	-60.8	175.5	-70.7	178.5	1.3	110.3	N23 T26 D27 L30 D142 D146 E147 M148	N23-R144 PolarHBondContact OD1-NH2 2.87Å; T26-R144 HydrophobicContact CG2-CB 4.05Å; D27-R144 VanDerWaalsContact CG-NH1 3.32Å; D27-R144 WeakPolarHBondContact OD1-CD 3.33Å; D27-R144 IonicContact OD1-CZ 3.61Å; D27-R144 IonicContact OD1-NE 3.74Å; D27-R144 IonicContact OD1-NH1 2.72Å; D27-R144 PolarHBondContact OD1-NH1 3.48Å; D27-R144 IonicContact OD2-NH1 3.34Å; D27-R144 PolarHBondContact OD2-NH1 2.84Å; L30-R144 HydrophobicContact CD2-CB 4.06Å; L30-R144 HydrophobicContact CD2-CG 4.17Å; D142-R144 PolarHBondContact O-N 3Å; D142-R144 WeakPolarHBondContact OD1-CA 3.15Å; D142-R144 VanDerWaalsContact OD1-CB 3.27Å; D142-R144 WeakPolarHBondContact OD1-CB 3.37Å; D142-R144 PolarHBondContact OD1-N 2.82Å; D142-R144 IonicContact OD1-NE 3.8Å; D142-R144 IonicContact OD2-CZ 3.19Å; D142-R144 IonicContact OD2-NE 2.83Å; D142-R144 PolarHBondContact OD2-NE 3.24Å; D142-R144 IonicContact OD2-NH2 2.7Å; D142-R144 PolarHBondContact OD2-NH2 3.15Å; R144-D146 VanDerWaalsContact C-N 3.34Å; R144-E147 PolarHBondContact O-N 3.02Å; R144-M148 WeakPolarHBondContact O-CB 3.47Å; R144-M148 PolarHBondContact O-N 3.23Å
145	E	89.5	Confident	88.2	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-39.3	172.8	-71.4	179.4	-174.2	0	0	111.6	T26 R138 I139 T140 N141 D142 M148 D149	T26-E145 HydrophobicContact CG2-CG 4.5Å; R138-E145 VanDerWaalsContact CA-OE2 3.24Å; R138-E145 WeakPolarHBondContact CA-OE2 3.2Å; I139-E145 PolarHBondContact N-OE1 3Å; I139-E145 PolarHBondContact N-OE2 3.27Å; T140-E145 WeakPolarHBondContact CB-OE1 3.47Å; T140-E145 PolarHBondContact N-OE1 3.45Å; T140-E145 PolarHBondContact N-OE2 3.26Å; T140-E145 PolarHBondContact OG1-OE1 2.68Å; N141-E145 WeakPolarHBondContact CA-OE2 3.25Å; N141-E145 PolarHBondContact N-OE2 3.44Å; D142-E145 PolarHBondContact O-N 3Å; D142-E145 PolarHBondContact OD1-N 3.4Å; E145-M148 PolarHBondContact O-N 3.3Å; E145-D149 WeakPolarHBondContact O-CB 3.24Å; E145-D149 PolarHBondContact O-N 3.5Å
146	D	91.2	Very high	88.7	Confident	71 Å²	71	63.3 Å²	63.3	38%	0.38	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-44	174.6	-69.5	-36.6	0	0	0	111.7	R138 D142 R144 D149 Q150	R138-D146 IonicContact CZ-OD1 2.78Å; R138-D146 IonicContact NH1-OD1 3.63Å; R138-D146 PolarHBondContact NH1-OD1 3.3Å; R138-D146 IonicContact NH2-OD1 3.29Å; R138-D146 PolarHBondContact NH2-OD1 3.49Å; D142-D146 PolarHBondContact O-N 3.44Å; R144-D146 VanDerWaalsContact C-N 3.34Å; D146-D149 PolarHBondContact O-N 2.82Å; D146-Q150 PolarHBondContact O-N 3.38Å; D146-Q150 VanDerWaalsContact O-N 3.12Å
147	E	92.4	Very high	89.3	Confident	60 Å²	60	63.5 Å²	63.5	28%	0.28	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-42.3	175	-168.8	-167.8	144.7	0	0	111.5	L30 R34 A143 R144 D149 Q150 N151	L30-E147 HydrophobicContact CD1-CB 3.89Å; L30-E147 HydrophobicContact CD1-CG 3.9Å; R34-E147 IonicContact CZ-OE1 3.63Å; R34-E147 IonicContact CZ-OE2 2.87Å; R34-E147 IonicContact NE-OE1 3.48Å; R34-E147 PolarHBondContact NE-OE1 3.23Å; R34-E147 IonicContact NH2-OE1 3.92Å; R34-E147 PolarHBondContact NH2-OE1 2.92Å; R34-E147 IonicContact NH2-OE2 2.73Å; R34-E147 PolarHBondContact NH2-OE2 3.04Å; A143-E147 PolarHBondContact O-N 2.9Å; R144-E147 PolarHBondContact O-N 3.02Å; E147-D149 VanDerWaalsContact C-N 3.33Å; E147-D149 PolarHBondContact O-N 2.9Å; E147-Q150 PolarHBondContact O-N 3.16Å; E147-N151 WeakPolarHBondContact O-CB 3.31Å; E147-N151 PolarHBondContact O-N 3.18Å; E147-N151 PolarHBondContact O-ND2 3.37Å; E147-N151 PolarHBondContact O-OD1 3.42Å
148	M	91.2	Very high	89.9	Confident	15 Å²	15	59.1 Å²	59.1	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-41.3	179	-166.6	-172.9	-47.7	0	0	111.8	T26 L30 I136 R144 E145 N151 L152	T26-M148 HydrophobicContact CG2-CE 4.23Å; L30-M148 HydrophobicContact CB-CE 4.31Å; L30-M148 HydrophobicContact CD1-CB 4.14Å; I136-M148 HydrophobicContact CD1-CG 3.87Å; I136-M148 HydrophobicContact CD1-SD 3.45Å; I136-M148 WeakPolarHBondContact CD1-SD 3.3Å; I136-M148 HydrophobicContact CG1-CB 4.17Å; I136-M148 HydrophobicContact CG1-CG 3.81Å; I136-M148 HydrophobicContact CG1-SD 3.83Å; I136-M148 HydrophobicContact CG2-SD 4.38Å; R144-M148 WeakPolarHBondContact O-CB 3.47Å; R144-M148 PolarHBondContact O-N 3.23Å; E145-M148 PolarHBondContact O-N 3.3Å; M148-N151 PolarHBondContact O-N 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.48Å; M148-L152 PolarHBondContact O-N 2.9Å
149	D	91.7	Very high	90.6	Very high	29 Å²	29	57.3 Å²	57.3	16%	0.155	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-44	176.8	-163.4	56	0	0	0	111.6	G134 Y135 I136 E145 D146 E147 L152 Q153	G134-D149 WeakPolarHBondContact CA-OD1 3.34Å; Y135-D149 PolarHBondContact N-OD1 3.44Å; I136-D149 HydrophobicContact CB-CB 4.39Å; I136-D149 HydrophobicContact CG1-CB 4.42Å; I136-D149 PolarHBondContact N-OD1 3.24Å; E145-D149 WeakPolarHBondContact O-CB 3.24Å; E145-D149 PolarHBondContact O-N 3.5Å; D146-D149 PolarHBondContact O-N 2.82Å; E147-D149 VanDerWaalsContact C-N 3.33Å; E147-D149 PolarHBondContact O-N 2.9Å; D149-L152 PolarHBondContact O-N 2.85Å; D149-Q153 PolarHBondContact O-N 3.26Å
150	Q	93.2	Very high	91.4	Very high	106 Å²	106	52 Å²	52	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-48.4	174.3	-176.4	-177.4	-15.4	0	0	111.6	D146 E147 L152 Q153 E154	D146-Q150 PolarHBondContact O-N 3.38Å; D146-Q150 VanDerWaalsContact O-N 3.12Å; E147-Q150 PolarHBondContact O-N 3.16Å; Q150-L152 VanDerWaalsContact C-N 3.28Å; Q150-L152 PolarHBondContact O-N 2.9Å; Q150-Q153 WeakPolarHBondContact O-CB 3.11Å; Q150-Q153 PolarHBondContact O-N 2.86Å; Q150-Q153 VanDerWaalsContact O-N 3.09Å; Q150-E154 PolarHBondContact NE2-OE1 3.42Å; Q150-E154 PolarHBondContact O-N 2.72Å
151	N	94.2	Very high	92	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-41.9	179.3	-68.3	-13.9	0	0	0	111.1	S33 M37 E147 M148 E154 V155	S33-N151 PolarHBondContact OG-ND2 3.09Å; M37-N151 HydrophobicContact CE-CB 3.91Å; M37-N151 WeakPolarHBondContact CE-OD1 3.22Å; M37-N151 HydrophobicContact CG-CB 4.38Å; M37-N151 HydrophobicContact SD-CB 3.83Å; M37-N151 PolarHBondContact SD-OD1 2.79Å; E147-N151 WeakPolarHBondContact O-CB 3.31Å; E147-N151 PolarHBondContact O-N 3.18Å; E147-N151 PolarHBondContact O-ND2 3.37Å; E147-N151 PolarHBondContact O-OD1 3.42Å; M148-N151 PolarHBondContact O-N 3.27Å; N151-E154 PolarHBondContact O-N 3.04Å; N151-V155 WeakPolarHBondContact O-CB 3.43Å; N151-V155 VanDerWaalsContact O-CG2 3.23Å; N151-V155 WeakPolarHBondContact O-CG2 3.44Å; N151-V155 PolarHBondContact O-N 3.06Å
152	L	93.2	Very high	92.7	Very high	35 Å²	35	51.2 Å²	51.2	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-32.1	177.3	-71.1	-170.1	0	0	0	113.2	M36 Y135 I136 M148 D149 Q150 S156	M36-L152 HydrophobicContact SD-CD2 3.97Å; Y135-L152 HydrophobicContact CD1-CB 4.42Å; Y135-L152 HydrophobicContact CD2-CB 4.07Å; Y135-L152 HydrophobicContact CG-CB 3.76Å; I136-L152 HydrophobicContact CD1-CD1 3.35Å; I136-L152 HydrophobicContact CD1-CG 4.48Å; I136-L152 HydrophobicContact CG1-CD1 3.84Å; M148-L152 WeakPolarHBondContact O-CG 3.48Å; M148-L152 PolarHBondContact O-N 2.9Å; D149-L152 PolarHBondContact O-N 2.85Å; Q150-L152 VanDerWaalsContact C-N 3.28Å; Q150-L152 PolarHBondContact O-N 2.9Å; L152-S156 WeakPolarHBondContact O-CB 3.33Å; L152-S156 PolarHBondContact O-N 3.37Å
153	Q	92.8	Very high	93	Very high	122 Å²	122	55.7 Å²	55.7	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-64.2	-44.3	171.7	-173.9	176.8	7.6	0	0	111.7	Y135 D149 Q150 S156 G157	Y135-Q153 HydrophobicContact CD2-CB 4.09Å; Y135-Q153 HydrophobicContact CE2-CB 3.73Å; Y135-Q153 HydrophobicContact CE2-CG 4.09Å; D149-Q153 PolarHBondContact O-N 3.26Å; Q150-Q153 WeakPolarHBondContact O-CB 3.11Å; Q150-Q153 PolarHBondContact O-N 2.86Å; Q150-Q153 VanDerWaalsContact O-N 3.09Å; Q153-S156 PolarHBondContact O-N 3.39Å; Q153-G157 PolarHBondContact O-N 3.43Å; Q153-G157 VanDerWaalsContact O-N 3.09Å
154	E	93.4	Very high	93.3	Very high	91 Å²	91	55.6 Å²	55.6	43%	0.425	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-46.2	175.2	-69.1	-177.8	-156.8	0	0	111.4	Q150 N151 S156 G157 M158	Q150-E154 PolarHBondContact NE2-OE1 3.42Å; Q150-E154 PolarHBondContact O-N 2.72Å; N151-E154 PolarHBondContact O-N 3.04Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.4Å; E154-G157 WeakPolarHBondContact O-CA 3.49Å; E154-G157 PolarHBondContact O-N 3.25Å; E154-G157 VanDerWaalsContact O-N 3.09Å; E154-M158 HydrophobicContact CB-CE 4.36Å; E154-M158 WeakPolarHBondContact O-CG 3.3Å; E154-M158 PolarHBondContact O-N 3.49Å
155	V	94.5	Very high	93.5	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-43.4	174	166.8	0	0	0	0	111.3	M36 M37 N151 G157 M158 I159	M36-V155 HydrophobicContact CB-CG1 4.49Å; M36-V155 HydrophobicContact CB-CG2 3.87Å; M37-V155 HydrophobicContact CB-CG2 4.42Å; M37-V155 HydrophobicContact CG-CG2 3.64Å; N151-V155 WeakPolarHBondContact O-CB 3.43Å; N151-V155 VanDerWaalsContact O-CG2 3.23Å; N151-V155 WeakPolarHBondContact O-CG2 3.44Å; N151-V155 PolarHBondContact O-N 3.06Å; V155-G157 VanDerWaalsContact C-N 3.29Å; V155-G157 PolarHBondContact O-N 3.39Å; V155-M158 HydrophobicContact CB-CE 4.47Å; V155-M158 HydrophobicContact CG2-CE 3.96Å; V155-M158 PolarHBondContact O-N 3.49Å; V155-I159 HydrophobicContact CG1-CD1 3.53Å; V155-I159 HydrophobicContact CG1-CG1 4.14Å; V155-I159 WeakPolarHBondContact O-CB 3.25Å; V155-I159 VanDerWaalsContact O-CG1 3.25Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 3.29Å
156	S	93.2	Very high	93.7	Very high	47 Å²	47	56.3 Å²	56.3	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-39.1	176.9	-176.5	0	0	0	0	112	Y135 L152 Q153 E154 G160	Y135-S156 VanDerWaalsContact CZ-CB 3.45Å; Y135-S156 WeakPolarHBondContact OH-CB 3.49Å; Y135-S156 PolarHBondContact OH-OG 3.49Å; L152-S156 WeakPolarHBondContact O-CB 3.33Å; L152-S156 PolarHBondContact O-N 3.37Å; Q153-S156 PolarHBondContact O-N 3.39Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.4Å; S156-G160 PolarHBondContact O-N 3.18Å
157	G	93.5	Very high	93.9	Very high	39 Å²	39	56.1 Å²	56.1	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-47	173.4	0	0	0	0	0	112.2	Q153 E154 V155 I159 G160 N161	Q153-G157 PolarHBondContact O-N 3.43Å; Q153-G157 VanDerWaalsContact O-N 3.09Å; E154-G157 WeakPolarHBondContact O-CA 3.49Å; E154-G157 PolarHBondContact O-N 3.25Å; E154-G157 VanDerWaalsContact O-N 3.09Å; V155-G157 VanDerWaalsContact C-N 3.29Å; V155-G157 PolarHBondContact O-N 3.39Å; G157-I159 PolarHBondContact O-N 3.02Å; G157-G160 WeakPolarHBondContact O-CA 3.25Å; G157-G160 PolarHBondContact O-N 2.98Å; G157-G160 VanDerWaalsContact O-N 3.15Å; G157-N161 PolarHBondContact O-N 2.98Å
158	M	94.5	Very high	94	Very high	28 Å²	28	57.7 Å²	57.7	14%	0.138	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-44.3	177.7	-68.8	-173.8	-82.3	0	0	112.1	M37 C40 E154 V155 G160 N161 L162	M37-M158 HydrophobicContact CB-CE 4.05Å; M37-M158 HydrophobicContact CG-CE 3.95Å; C40-M158 HydrophobicContact CB-CB 3.78Å; C40-M158 HydrophobicContact CB-CE 3.79Å; C40-M158 HydrophobicContact CB-CG 4.31Å; C40-M158 HydrophobicContact CB-SD 3.58Å; C40-M158 VanDerWaalsContact CB-SD 3.58Å; E154-M158 HydrophobicContact CB-CE 4.36Å; E154-M158 WeakPolarHBondContact O-CG 3.3Å; E154-M158 PolarHBondContact O-N 3.49Å; V155-M158 HydrophobicContact CB-CE 4.47Å; V155-M158 HydrophobicContact CG2-CE 3.96Å; V155-M158 PolarHBondContact O-N 3.49Å; M158-G160 VanDerWaalsContact C-N 3.28Å; M158-G160 PolarHBondContact O-N 3.34Å; M158-N161 PolarHBondContact O-N 3.35Å; M158-N161 VanDerWaalsContact O-N 3.15Å; M158-L162 VanDerWaalsContact O-CG 3.3Å; M158-L162 WeakPolarHBondContact O-CG 3.47Å; M158-L162 PolarHBondContact O-N 2.85Å
159	I	94.3	Very high	94.2	Very high	92 Å²	92	58.9 Å²	58.9	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-38.7	174.4	-69	171.4	0	0	0	110.8	V155 G157 N161 L162 R163	V155-I159 HydrophobicContact CG1-CD1 3.53Å; V155-I159 HydrophobicContact CG1-CG1 4.14Å; V155-I159 WeakPolarHBondContact O-CB 3.25Å; V155-I159 VanDerWaalsContact O-CG1 3.25Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 3.29Å; G157-I159 PolarHBondContact O-N 3.02Å; I159-N161 VanDerWaalsContact C-N 3.34Å; I159-N161 PolarHBondContact O-N 2.73Å; I159-L162 PolarHBondContact O-N 3.26Å; I159-R163 WeakPolarHBondContact O-CB 3.19Å; I159-R163 PolarHBondContact O-N 3.32Å
160	G	94.6	Very high	94.4	Very high	16 Å²	16	58.9 Å²	58.9	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-57.4	-46.1	172.9	0	0	0	0	0	112.4	S156 G157 M158 R163 N164	S156-G160 PolarHBondContact O-N 3.18Å; G157-G160 WeakPolarHBondContact O-CA 3.25Å; G157-G160 PolarHBondContact O-N 2.98Å; G157-G160 VanDerWaalsContact O-N 3.15Å; M158-G160 VanDerWaalsContact C-N 3.28Å; M158-G160 PolarHBondContact O-N 3.34Å; G160-R163 PolarHBondContact O-N 3.39Å; G160-N164 PolarHBondContact O-N 2.96Å; G160-N164 VanDerWaalsContact O-N 3.14Å; G160-N164 PolarHBondContact O-ND2 2.87Å
161	N	93.5	Very high	94.4	Very high	91 Å²	91	56.1 Å²	56.1	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-66.7	-44.3	176.4	-67	-21.3	0	0	0	112	G157 M158 I159 R163 N164 M165	G157-N161 PolarHBondContact O-N 2.98Å; M158-N161 PolarHBondContact O-N 3.35Å; M158-N161 VanDerWaalsContact O-N 3.15Å; I159-N161 VanDerWaalsContact C-N 3.34Å; I159-N161 PolarHBondContact O-N 2.73Å; N161-R163 VanDerWaalsContact C-N 3.26Å; N161-R163 PolarHBondContact O-N 2.87Å; N161-N164 PolarHBondContact O-N 3.28Å; N161-N164 VanDerWaalsContact O-N 3.13Å; N161-M165 WeakPolarHBondContact O-CG 3.34Å; N161-M165 PolarHBondContact O-N 2.83Å
162	L	95.7	Very high	94.4	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-40.8	175	-72.7	167.5	0	0	0	111.6	A43 K44 M158 I159 M165 A166	A43-L162 HydrophobicContact CB-CD1 4.06Å; A43-L162 HydrophobicContact CB-CD2 3.75Å; K44-L162 HydrophobicContact CB-CD2 4.45Å; M158-L162 VanDerWaalsContact O-CG 3.3Å; M158-L162 WeakPolarHBondContact O-CG 3.47Å; M158-L162 PolarHBondContact O-N 2.85Å; I159-L162 PolarHBondContact O-N 3.26Å; L162-M165 HydrophobicContact CD2-CE 3.69Å; L162-M165 HydrophobicContact CG-CE 4.3Å; L162-M165 PolarHBondContact O-N 3.34Å; L162-A166 WeakPolarHBondContact O-CB 3.41Å; L162-A166 PolarHBondContact O-N 3.01Å
163	R	95.9	Very high	94.5	Very high	134 Å²	134	59.9 Å²	59.9	51%	0.506	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-45	175.7	-173.9	-168.3	69	-137.2	-2.8	111.5	I159 G160 N161 A166 I167	I159-R163 WeakPolarHBondContact O-CB 3.19Å; I159-R163 PolarHBondContact O-N 3.32Å; G160-R163 PolarHBondContact O-N 3.39Å; N161-R163 VanDerWaalsContact C-N 3.26Å; N161-R163 PolarHBondContact O-N 2.87Å; R163-A166 PolarHBondContact O-N 3Å; R163-I167 HydrophobicContact CG-CD1 4.3Å; R163-I167 WeakPolarHBondContact O-CG1 3.48Å; R163-I167 PolarHBondContact O-N 3.4Å
164	N	94.7	Very high	94.6	Very high	73 Å²	73	59 Å²	59	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-45.2	178.2	-65.1	-19	0	0	0	110.7	G160 N161 A166 I167 D168	G160-N164 PolarHBondContact O-N 2.96Å; G160-N164 VanDerWaalsContact O-N 3.14Å; G160-N164 PolarHBondContact O-ND2 2.87Å; N161-N164 PolarHBondContact O-N 3.28Å; N161-N164 VanDerWaalsContact O-N 3.13Å; N164-A166 VanDerWaalsContact C-N 3.29Å; N164-A166 PolarHBondContact O-N 2.55Å; N164-I167 WeakPolarHBondContact O-CB 3.25Å; N164-I167 PolarHBondContact O-N 3.04Å; N164-I167 VanDerWaalsContact O-N 3.1Å; N164-D168 PolarHBondContact O-N 3.34Å
165	M	95.5	Very high	94.6	Very high	23 Å²	23	60 Å²	60	11%	0.113	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-39.3	173.7	-67.6	-170.5	-66.2	0	0	112.2	K44 I48 L51 N161 L162 I167 D168 M169	K44-M165 HydrophobicContact CB-CE 4.46Å; K44-M165 HydrophobicContact CG-CE 4.2Å; I48-M165 HydrophobicContact CG1-SD 3.99Å; L51-M165 HydrophobicContact CD1-CB 3.83Å; L51-M165 HydrophobicContact CD1-CG 3.62Å; L51-M165 HydrophobicContact CD1-SD 3.94Å; N161-M165 WeakPolarHBondContact O-CG 3.34Å; N161-M165 PolarHBondContact O-N 2.83Å; L162-M165 HydrophobicContact CD2-CE 3.69Å; L162-M165 HydrophobicContact CG-CE 4.3Å; L162-M165 PolarHBondContact O-N 3.34Å; M165-I167 VanDerWaalsContact C-N 3.34Å; M165-I167 PolarHBondContact O-N 2.87Å; M165-D168 PolarHBondContact O-N 3.08Å; M165-M169 WeakPolarHBondContact O-CB 3.46Å; M165-M169 VanDerWaalsContact O-CG 3.23Å; M165-M169 WeakPolarHBondContact O-CG 3.34Å; M165-M169 PolarHBondContact O-N 3.48Å
166	A	95.1	Very high	94.6	Very high	53 Å²	53	60.3 Å²	60.3	44%	0.438	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-36.2	175.9	0	0	0	0	0	112.9	L162 R163 N164 M169 G170	L162-A166 WeakPolarHBondContact O-CB 3.41Å; L162-A166 PolarHBondContact O-N 3.01Å; R163-A166 PolarHBondContact O-N 3Å; N164-A166 VanDerWaalsContact C-N 3.29Å; N164-A166 PolarHBondContact O-N 2.55Å; A166-M169 HydrophobicContact CB-CE 4.39Å; A166-G170 PolarHBondContact O-N 2.94Å
167	I	95.7	Very high	94.6	Very high	68 Å²	68	62.1 Å²	62.1	35%	0.349	34%	0.343	S	S	.	.	H	α-helix	trans	-66.1	-46.4	173.7	-68	165.6	0	0	0	110.2	V124 R163 N164 M165 G170 S171	V124-I167 HydrophobicContact CG2-CD1 4.22Å; R163-I167 HydrophobicContact CG-CD1 4.3Å; R163-I167 WeakPolarHBondContact O-CG1 3.48Å; R163-I167 PolarHBondContact O-N 3.4Å; N164-I167 WeakPolarHBondContact O-CB 3.25Å; N164-I167 PolarHBondContact O-N 3.04Å; N164-I167 VanDerWaalsContact O-N 3.1Å; M165-I167 VanDerWaalsContact C-N 3.34Å; M165-I167 PolarHBondContact O-N 2.87Å; I167-G170 PolarHBondContact O-N 3.06Å; I167-S171 PolarHBondContact O-N 3.24Å
168	D	94.5	Very high	94.6	Very high	93 Å²	93	62.8 Å²	62.8	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-49	179.5	-65.5	-23.6	0	0	0	110.9	L51 N164 M165 G170 S171 E172	L51-D168 HydrophobicContact CD2-CB 4.04Å; N164-D168 PolarHBondContact O-N 3.34Å; M165-D168 PolarHBondContact O-N 3.08Å; D168-G170 VanDerWaalsContact C-N 3.31Å; D168-G170 PolarHBondContact O-N 3.4Å; D168-S171 PolarHBondContact O-N 3.43Å; D168-E172 WeakPolarHBondContact O-CB 3.48Å; D168-E172 PolarHBondContact O-N 2.8Å
169	M	95.2	Very high	94.5	Very high	39 Å²	39	62.4 Å²	62.4	19%	0.192	34%	0.337	C	S	.	.	H	α-helix	trans	-56.3	-45.3	173.4	-71.4	-171.5	-69.1	0	0	111.5	T50 L51 L54 M165 A166 E172 I173	T50-M169 HydrophobicContact CG2-SD 3.53Å; T50-M169 VanDerWaalsContact CG2-SD 3.53Å; L51-M169 HydrophobicContact CD2-CB 4.38Å; L51-M169 HydrophobicContact CD2-CG 3.41Å; L51-M169 VanDerWaalsContact CD2-CG 3.41Å; L51-M169 HydrophobicContact CG-CG 3.78Å; L51-M169 HydrophobicContact CG-SD 4.5Å; L54-M169 HydrophobicContact CD1-CB 3.87Å; L54-M169 HydrophobicContact CD1-CG 3.73Å; M165-M169 WeakPolarHBondContact O-CB 3.46Å; M165-M169 VanDerWaalsContact O-CG 3.23Å; M165-M169 WeakPolarHBondContact O-CG 3.34Å; M165-M169 PolarHBondContact O-N 3.48Å; A166-M169 HydrophobicContact CB-CE 4.39Å; M169-E172 PolarHBondContact O-N 3.39Å; M169-I173 WeakPolarHBondContact O-CB 3.22Å; M169-I173 WeakPolarHBondContact O-CD1 3.11Å; M169-I173 WeakPolarHBondContact O-CG1 3.36Å; M169-I173 PolarHBondContact O-N 3.33Å
170	G	95.3	Very high	94.6	Very high	29 Å²	29	61.1 Å²	61.1	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-41.7	179.4	0	0	0	0	0	113	A166 I167 D168 N174	A166-G170 PolarHBondContact O-N 2.94Å; I167-G170 PolarHBondContact O-N 3.06Å; D168-G170 VanDerWaalsContact C-N 3.31Å; D168-G170 PolarHBondContact O-N 3.4Å; G170-N174 WeakPolarHBondContact O-CB 3.21Å; G170-N174 PolarHBondContact O-N 3.33Å; G170-N174 VanDerWaalsContact O-N 3.13Å; G170-N174 PolarHBondContact O-ND2 2.86Å
171	S	94.2	Very high	94.6	Very high	49 Å²	49	65.3 Å²	65.3	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-46.5	175	177.7	0	0	0	0	111.5	I167 D168 N174 Q175	I167-S171 PolarHBondContact O-N 3.24Å; D168-S171 PolarHBondContact O-N 3.43Å; S171-N174 PolarHBondContact O-N 3.07Å; S171-Q175 WeakPolarHBondContact O-CG 3.39Å; S171-Q175 PolarHBondContact O-N 3.24Å; S171-Q175 PolarHBondContact OG-NE2 2.84Å
172	E	93.4	Very high	94.4	Very high	54 Å²	54	65.4 Å²	65.4	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-48.8	-178.9	-171.5	54.8	-140.7	0	0	111	L54 D168 M169 N174 Q175 Q176	L54-E172 HydrophobicContact CB-CG 4.02Å; D168-E172 WeakPolarHBondContact O-CB 3.48Å; D168-E172 PolarHBondContact O-N 2.8Å; M169-E172 PolarHBondContact O-N 3.39Å; E172-N174 VanDerWaalsContact C-N 3.29Å; E172-N174 PolarHBondContact O-N 3.41Å; E172-Q175 PolarHBondContact O-N 2.91Å; E172-Q175 VanDerWaalsContact O-N 3.14Å; E172-Q176 WeakPolarHBondContact O-CB 3.46Å; E172-Q176 VanDerWaalsContact O-CG 3.28Å; E172-Q176 WeakPolarHBondContact O-CG 3.34Å; E172-Q176 PolarHBondContact O-N 3.13Å; E172-Q176 PolarHBondContact OE1-NE2 2.86Å
173	I	95	Very high	94.4	Very high	69 Å²	69	64.4 Å²	64.4	35%	0.354	34%	0.337	S	S	.	.	H	α-helix	trans	-57.9	-42	175.7	-69.4	165.1	0	0	0	111.4	L54 M169 Q176 N177	L54-I173 HydrophobicContact CD1-CD1 4.29Å; L54-I173 HydrophobicContact CD1-CG1 4.13Å; L54-I173 HydrophobicContact CD2-CD1 4.41Å; L54-I173 HydrophobicContact CD2-CG1 3.75Å; M169-I173 WeakPolarHBondContact O-CB 3.22Å; M169-I173 WeakPolarHBondContact O-CD1 3.11Å; M169-I173 WeakPolarHBondContact O-CG1 3.36Å; M169-I173 PolarHBondContact O-N 3.33Å; I173-Q176 PolarHBondContact O-N 3.16Å; I173-N177 WeakPolarHBondContact O-CB 3.49Å; I173-N177 PolarHBondContact O-N 3.46Å; I173-N177 PolarHBondContact O-ND2 3.5Å
174	N	95.2	Very high	94.3	Very high	104 Å²	104	62.8 Å²	62.8	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-64.4	-41.7	178.2	-75	-30.7	0	0	0	112.2	G170 S171 E172 N177 V178	G170-N174 WeakPolarHBondContact O-CB 3.21Å; G170-N174 PolarHBondContact O-N 3.33Å; G170-N174 VanDerWaalsContact O-N 3.13Å; G170-N174 PolarHBondContact O-ND2 2.86Å; S171-N174 PolarHBondContact O-N 3.07Å; E172-N174 VanDerWaalsContact C-N 3.29Å; E172-N174 PolarHBondContact O-N 3.41Å; N174-N177 PolarHBondContact O-N 3.47Å; N174-V178 WeakPolarHBondContact O-CG2 3.35Å; N174-V178 PolarHBondContact O-N 3.06Å
175	Q	92.9	Very high	94.2	Very high	112 Å²	112	60.4 Å²	60.4	52%	0.523	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-45.8	176.5	-69.6	176	30.7	0	0	111.2	S171 E172 N177 V178 Q179	S171-Q175 WeakPolarHBondContact O-CG 3.39Å; S171-Q175 PolarHBondContact O-N 3.24Å; S171-Q175 PolarHBondContact OG-NE2 2.84Å; E172-Q175 PolarHBondContact O-N 2.91Å; E172-Q175 VanDerWaalsContact O-N 3.14Å; Q175-N177 VanDerWaalsContact C-N 3.34Å; Q175-N177 PolarHBondContact O-N 3.23Å; Q175-V178 PolarHBondContact O-N 3.41Å; Q175-Q179 PolarHBondContact O-N 2.83Å
176	Q	94.2	Very high	94.1	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.065	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-39.1	176.8	-69.2	-178.7	8.7	0	0	112	L54 L61 E172 I173 V178 Q179 V180	L54-Q176 PolarHBondContact O-NE2 3.36Å; L61-Q176 HydrophobicContact CD1-CB 3.69Å; L61-Q176 HydrophobicContact CD1-CG 3.79Å; E172-Q176 WeakPolarHBondContact O-CB 3.46Å; E172-Q176 VanDerWaalsContact O-CG 3.28Å; E172-Q176 WeakPolarHBondContact O-CG 3.34Å; E172-Q176 PolarHBondContact O-N 3.13Å; E172-Q176 PolarHBondContact OE1-NE2 2.86Å; I173-Q176 PolarHBondContact O-N 3.16Å; Q176-V178 PolarHBondContact O-N 3.26Å; Q176-Q179 WeakPolarHBondContact O-CB 3.38Å; Q176-Q179 PolarHBondContact O-N 3.22Å; Q176-Q179 VanDerWaalsContact O-N 3.15Å; Q176-V180 VanDerWaalsContact O-CG2 3.3Å; Q176-V180 WeakPolarHBondContact O-CG2 3.28Å; Q176-V180 PolarHBondContact O-N 2.97Å
177	N	94.3	Very high	94.1	Very high	85 Å²	85	58.9 Å²	58.9	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-47.3	175.1	-76.2	-26.6	0	0	0	112	I173 N174 Q175 Q179 V180 E181	I173-N177 WeakPolarHBondContact O-CB 3.49Å; I173-N177 PolarHBondContact O-N 3.46Å; I173-N177 PolarHBondContact O-ND2 3.5Å; N174-N177 PolarHBondContact O-N 3.47Å; Q175-N177 VanDerWaalsContact C-N 3.34Å; Q175-N177 PolarHBondContact O-N 3.23Å; N177-Q179 VanDerWaalsContact C-N 3.27Å; N177-Q179 PolarHBondContact O-N 3.09Å; N177-V180 PolarHBondContact O-N 3.1Å; N177-E181 PolarHBondContact O-N 2.93Å
178	V	93.1	Very high	94.1	Very high	52 Å²	52	61.1 Å²	61.1	32%	0.315	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-35.5	176.5	176.1	0	0	0	0	111.2	N174 Q175 Q176 R182	N174-V178 WeakPolarHBondContact O-CG2 3.35Å; N174-V178 PolarHBondContact O-N 3.06Å; Q175-V178 PolarHBondContact O-N 3.41Å; Q176-V178 PolarHBondContact O-N 3.26Å; V178-R182 WeakPolarHBondContact O-CG 3.13Å; V178-R182 PolarHBondContact O-N 3.46Å; V178-R182 PolarHBondContact O-NE 3.2Å
179	Q	92.9	Very high	94	Very high	21 Å²	21	57 Å²	57	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-42	174.9	-172.9	173	31.2	0	0	112.1	L61 D62 Q175 Q176 N177 E181 R182 I183	L61-Q179 HydrophobicContact CB-CG 4.26Å; D62-Q179 PolarHBondContact OD1-NE2 3.33Å; Q175-Q179 PolarHBondContact O-N 2.83Å; Q176-Q179 WeakPolarHBondContact O-CB 3.38Å; Q176-Q179 PolarHBondContact O-N 3.22Å; Q176-Q179 VanDerWaalsContact O-N 3.15Å; N177-Q179 VanDerWaalsContact C-N 3.27Å; N177-Q179 PolarHBondContact O-N 3.09Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; Q179-E181 PolarHBondContact O-N 3.11Å; Q179-R182 PolarHBondContact O-N 3.13Å; Q179-I183 HydrophobicContact CG-CD1 3.96Å; Q179-I183 HydrophobicContact CG-CG1 4.48Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.27Å; Q179-I183 PolarHBondContact O-N 2.97Å
180	V	95.1	Very high	93.9	Very high	65 Å²	65	55.2 Å²	55.2	39%	0.394	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-41.9	176.2	169.6	0	0	0	0	111.2	L61 Q176 N177 R182 I183 Q184	L61-V180 HydrophobicContact CD1-CG2 4.07Å; L61-V180 HydrophobicContact CD2-CG2 3.71Å; Q176-V180 VanDerWaalsContact O-CG2 3.3Å; Q176-V180 WeakPolarHBondContact O-CG2 3.28Å; Q176-V180 PolarHBondContact O-N 2.97Å; N177-V180 PolarHBondContact O-N 3.1Å; V180-R182 PolarHBondContact O-N 3.39Å; V180-I183 PolarHBondContact O-N 2.79Å; V180-Q184 WeakPolarHBondContact O-CB 3.4Å; V180-Q184 PolarHBondContact O-N 3.29Å
181	E	94.4	Very high	93.8	Very high	103 Å²	103	56.6 Å²	56.6	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-47.3	174.3	-72.7	177.7	174.1	0	0	111.3	N177 Q179 I183 Q184 I185	N177-E181 PolarHBondContact O-N 2.93Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; Q179-E181 PolarHBondContact O-N 3.11Å; E181-I183 PolarHBondContact O-N 3.15Å; E181-Q184 WeakPolarHBondContact O-CB 3.33Å; E181-Q184 PolarHBondContact O-N 3.42Å; E181-I185 PolarHBondContact O-N 2.9Å
182	R	91.2	Very high	93.8	Very high	93 Å²	93	59.4 Å²	59.4	35%	0.351	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-46.5	175.3	-74.2	-175.5	-81	-177.9	-1.3	112	D113 V178 Q179 V180 Q184 I185 K186	D113-R182 IonicContact OD1-NH1 2.84Å; V178-R182 WeakPolarHBondContact O-CG 3.13Å; V178-R182 PolarHBondContact O-N 3.46Å; V178-R182 PolarHBondContact O-NE 3.2Å; Q179-R182 PolarHBondContact O-N 3.13Å; V180-R182 PolarHBondContact O-N 3.39Å; R182-Q184 VanDerWaalsContact C-N 3.29Å; R182-Q184 PolarHBondContact O-N 2.95Å; R182-I185 PolarHBondContact O-N 3.2Å; R182-K186 WeakPolarHBondContact O-CG 3.38Å; R182-K186 PolarHBondContact O-N 3.47Å
183	I	94.9	Very high	93.7	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-43.2	175.3	-71.8	165.1	0	0	0	110.5	L61 I64 N65 M68 Q179 V180 E181 I185 K186 A187	L61-I183 HydrophobicContact CB-CD1 4.3Å; L61-I183 HydrophobicContact CD2-CD1 3.87Å; I64-I183 HydrophobicContact CB-CD1 4.26Å; I64-I183 HydrophobicContact CG2-CD1 3.98Å; I64-I183 HydrophobicContact CG2-CG1 4.31Å; I64-I183 HydrophobicContact CG2-CG2 3.69Å; N65-I183 HydrophobicContact CB-CD1 4.13Å; N65-I183 HydrophobicContact CB-CG1 3.92Å; M68-I183 HydrophobicContact CG-CG2 4.36Å; Q179-I183 HydrophobicContact CG-CD1 3.96Å; Q179-I183 HydrophobicContact CG-CG1 4.48Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.27Å; Q179-I183 PolarHBondContact O-N 2.97Å; V180-I183 PolarHBondContact O-N 2.79Å; E181-I183 PolarHBondContact O-N 3.15Å; I183-I185 VanDerWaalsContact C-N 3.32Å; I183-I185 PolarHBondContact O-N 2.92Å; I183-K186 PolarHBondContact O-N 2.94Å; I183-A187 VanDerWaalsContact O-CB 3.24Å; I183-A187 WeakPolarHBondContact O-CB 3.34Å; I183-A187 PolarHBondContact O-N 2.82Å
184	Q	94.5	Very high	93.6	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-39.4	-179.2	-173	-177.9	-3.9	0	0	111.7	V180 E181 R182 K188	V180-Q184 WeakPolarHBondContact O-CB 3.4Å; V180-Q184 PolarHBondContact O-N 3.29Å; E181-Q184 WeakPolarHBondContact O-CB 3.33Å; E181-Q184 PolarHBondContact O-N 3.42Å; R182-Q184 VanDerWaalsContact C-N 3.29Å; R182-Q184 PolarHBondContact O-N 2.95Å; Q184-K188 HydrophobicContact CG-CD 4.47Å; Q184-K188 VanDerWaalsContact NE2-NZ 3.13Å; Q184-K188 WeakPolarHBondContact O-CB 3.35Å; Q184-K188 WeakPolarHBondContact O-CG 3.22Å; Q184-K188 PolarHBondContact O-N 3.45Å
185	I	92.7	Very high	93.5	Very high	24 Å²	24	60.4 Å²	60.4	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-50.1	174.6	-69.3	172.5	0	0	0	110.5	Q108 L109 E112 E181 R182 I183 A187 K188 S189	Q108-I185 HydrophobicContact CB-CG2 3.63Å; L109-I185 HydrophobicContact CD1-CG2 3.97Å; E112-I185 HydrophobicContact CB-CD1 4.32Å; E112-I185 HydrophobicContact CG-CD1 3.53Å; E112-I185 WeakPolarHBondContact OE2-CD1 3.48Å; E181-I185 PolarHBondContact O-N 2.9Å; R182-I185 PolarHBondContact O-N 3.2Å; I183-I185 VanDerWaalsContact C-N 3.32Å; I183-I185 PolarHBondContact O-N 2.92Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.37Å; I185-K188 PolarHBondContact O-N 3.26Å; I185-S189 PolarHBondContact O-N 3.27Å
186	K	93.4	Very high	93.5	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-57.3	-45.1	177.4	-63.7	178	171.4	-171	0	111.2	N65 M68 D69 Y105 L109 R182 I183 S189 N190	N65-K186 PolarHBondContact O-NZ 3.15Å; N65-K186 WeakPolarHBondContact OD1-CE 3.41Å; N65-K186 PolarHBondContact OD1-NZ 3.28Å; M68-K186 HydrophobicContact CB-CB 3.73Å; M68-K186 HydrophobicContact CB-CD 3.76Å; M68-K186 HydrophobicContact CB-CG 4.38Å; M68-K186 HydrophobicContact CG-CB 4.19Å; D69-K186 VanDerWaalsContact OD1-CE 3.22Å; D69-K186 WeakPolarHBondContact OD1-CE 3.5Å; D69-K186 IonicContact OD1-NZ 3.89Å; D69-K186 PolarHBondContact OD1-NZ 2.68Å; D69-K186 IonicContact OD2-NZ 2.83Å; D69-K186 PolarHBondContact OD2-NZ 2.96Å; Y105-K186 HydrophobicContact CE1-CG 4.48Å; Y105-K186 HydrophobicContact CE2-CB 3.71Å; Y105-K186 HydrophobicContact CE2-CG 3.81Å; Y105-K186 WeakPolarHBondContact OH-CD 3.38Å; Y105-K186 WeakPolarHBondContact OH-CE 3.3Å; Y105-K186 WeakPolarHBondContact OH-CG 3.38Å; L109-K186 HydrophobicContact CD1-CG 3.85Å; L109-K186 HydrophobicContact CD2-CG 4.45Å; R182-K186 WeakPolarHBondContact O-CG 3.38Å; R182-K186 PolarHBondContact O-N 3.47Å; I183-K186 PolarHBondContact O-N 2.94Å; K186-S189 PolarHBondContact O-N 3.35Å; K186-N190 VanDerWaalsContact O-CB 3.3Å; K186-N190 WeakPolarHBondContact O-CB 3.32Å; K186-N190 VanDerWaalsContact O-CG 3.25Å; K186-N190 PolarHBondContact O-N 2.78Å; K186-N190 PolarHBondContact O-ND2 3.29Å
187	A	94.4	Very high	93.3	Very high	35 Å²	35	60.2 Å²	60.2	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-44.9	179.6	0	0	0	0	0	112.3	M68 I183 I185 N190 A191	M68-A187 HydrophobicContact CE-CB 4.47Å; M68-A187 HydrophobicContact SD-CB 3.98Å; I183-A187 VanDerWaalsContact O-CB 3.24Å; I183-A187 WeakPolarHBondContact O-CB 3.34Å; I183-A187 PolarHBondContact O-N 2.82Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.37Å; A187-N190 PolarHBondContact O-N 3.18Å; A187-A191 VanDerWaalsContact O-CB 3.22Å; A187-A191 WeakPolarHBondContact O-CB 3.19Å; A187-A191 PolarHBondContact O-N 3.44Å
188	K	94.3	Very high	93.1	Very high	116 Å²	116	61.6 Å²	61.6	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-48.2	175.2	-75.9	173.7	-176.2	167.3	0	111.4	Q184 I185 A191 E192	Q184-K188 HydrophobicContact CG-CD 4.47Å; Q184-K188 VanDerWaalsContact NE2-NZ 3.13Å; Q184-K188 WeakPolarHBondContact O-CB 3.35Å; Q184-K188 WeakPolarHBondContact O-CG 3.22Å; Q184-K188 PolarHBondContact O-N 3.45Å; I185-K188 PolarHBondContact O-N 3.26Å; K188-A191 PolarHBondContact O-N 3.44Å; K188-E192 WeakPolarHBondContact O-CG 3.47Å; K188-E192 PolarHBondContact O-N 2.75Å
189	S	92.7	Very high	93	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-48.4	178.7	-170.9	0	0	0	0	111.5	I185 K186 A191 E192 R193	I185-S189 PolarHBondContact O-N 3.27Å; K186-S189 PolarHBondContact O-N 3.35Å; S189-A191 PolarHBondContact O-N 3.15Å; S189-E192 PolarHBondContact O-N 2.89Å; S189-R193 VanDerWaalsContact O-CG 3.28Å; S189-R193 WeakPolarHBondContact O-CG 3.39Å; S189-R193 PolarHBondContact O-N 3.07Å; S189-R193 VanDerWaalsContact O-N 3.09Å
190	N	93.4	Very high	92.8	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-45.3	176.9	-74.5	-17.9	0	0	0	111.8	M68 I71 N72 K186 A187 E192 R193 I194	M68-N190 PolarHBondContact O-ND2 2.74Å; I71-N190 HydrophobicContact CG2-CB 3.88Å; N72-N190 VanDerWaalsContact CA-OD1 3.3Å; N72-N190 WeakPolarHBondContact CA-OD1 3.43Å; N72-N190 WeakPolarHBondContact CB-OD1 3.35Å; K186-N190 VanDerWaalsContact O-CB 3.3Å; K186-N190 WeakPolarHBondContact O-CB 3.32Å; K186-N190 VanDerWaalsContact O-CG 3.25Å; K186-N190 PolarHBondContact O-N 2.78Å; K186-N190 PolarHBondContact O-ND2 3.29Å; A187-N190 PolarHBondContact O-N 3.18Å; N190-E192 PolarHBondContact O-N 3.48Å; N190-R193 PolarHBondContact O-N 2.73Å; N190-I194 WeakPolarHBondContact O-CB 3.49Å; N190-I194 WeakPolarHBondContact O-CD1 3.37Å; N190-I194 WeakPolarHBondContact O-CG1 3.46Å; N190-I194 PolarHBondContact O-N 2.88Å
191	A	94	Very high	92.5	Very high	58 Å²	58	63.8 Å²	63.8	48%	0.479	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-43.2	178.8	0	0	0	0	0	112.6	A187 K188 S189 I194 K195	A187-A191 VanDerWaalsContact O-CB 3.22Å; A187-A191 WeakPolarHBondContact O-CB 3.19Å; A187-A191 PolarHBondContact O-N 3.44Å; K188-A191 PolarHBondContact O-N 3.44Å; S189-A191 PolarHBondContact O-N 3.15Å; A191-I194 PolarHBondContact O-N 3.28Å; A191-K195 WeakPolarHBondContact O-CB 3.32Å; A191-K195 PolarHBondContact O-N 3.26Å
192	E	93.4	Very high	92.3	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.7	-74.3	-175.2	-174.8	0	0	112.4	K188 S189 N190 K195 K196	K188-E192 WeakPolarHBondContact O-CG 3.47Å; K188-E192 PolarHBondContact O-N 2.75Å; S189-E192 PolarHBondContact O-N 2.89Å; N190-E192 PolarHBondContact O-N 3.48Å; E192-K195 PolarHBondContact O-N 3.48Å; E192-K196 WeakPolarHBondContact O-CG 3.45Å; E192-K196 PolarHBondContact O-N 3.49Å
193	R	91.6	Very high	92.1	Very high	31 Å²	31	64.2 Å²	64.2	12%	0.117	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-44.3	178.3	-67.7	175.8	70.2	-152.4	-0.3	111.3	N72 M75 K76 E79 S189 N190 K195 K196 A197	N72-R193 PolarHBondContact O-NH1 2.8Å; N72-R193 PolarHBondContact OD1-NH1 3.41Å; M75-R193 VanDerWaalsContact CB-CZ 3.47Å; M75-R193 HydrophobicContact CE-CB 3.86Å; M75-R193 WeakPolarHBondContact CE-O 3.41Å; M75-R193 HydrophobicContact CG-CB 4.48Å; M75-R193 PolarHBondContact O-NH2 3.15Å; K76-R193 VanDerWaalsContact CA-NH2 3.26Å; K76-R193 VanDerWaalsContact CG-NH2 3.3Å; E79-R193 IonicContact OE1-CZ 2.78Å; E79-R193 IonicContact OE1-NE 2.77Å; E79-R193 PolarHBondContact OE1-NE 2.83Å; E79-R193 IonicContact OE1-NH2 2.74Å; E79-R193 PolarHBondContact OE1-NH2 2.96Å; E79-R193 IonicContact OE2-CZ 3.9Å; E79-R193 IonicContact OE2-NE 3.16Å; E79-R193 IonicContact OE2-NH2 3.17Å; E79-R193 PolarHBondContact OE2-NH2 3.4Å; S189-R193 VanDerWaalsContact O-CG 3.28Å; S189-R193 WeakPolarHBondContact O-CG 3.39Å; S189-R193 PolarHBondContact O-N 3.07Å; S189-R193 VanDerWaalsContact O-N 3.09Å; N190-R193 PolarHBondContact O-N 2.73Å; R193-K195 VanDerWaalsContact C-N 3.3Å; R193-K195 PolarHBondContact O-N 3.45Å; R193-K196 PolarHBondContact O-N 3.25Å; R193-A197 WeakPolarHBondContact O-CB 3.29Å; R193-A197 PolarHBondContact O-N 3.15Å
194	I	92.9	Very high	91.4	Very high	80 Å²	80	66.4 Å²	66.4	41%	0.41	34%	0.339	S	S	.	.	H	α-helix	trans	-56.6	-47	174.6	-70.4	163.2	0	0	0	110	I71 M75 N190 A191 K196 A197 N198	I71-I194 HydrophobicContact CG2-CD1 4.23Å; M75-I194 HydrophobicContact CE-CG1 4.17Å; M75-I194 HydrophobicContact CG-CG1 4Å; M75-I194 HydrophobicContact SD-CB 4.25Å; M75-I194 HydrophobicContact SD-CD1 4.46Å; M75-I194 HydrophobicContact SD-CG1 3.33Å; M75-I194 WeakPolarHBondContact SD-CG1 3.47Å; N190-I194 WeakPolarHBondContact O-CB 3.49Å; N190-I194 WeakPolarHBondContact O-CD1 3.37Å; N190-I194 WeakPolarHBondContact O-CG1 3.46Å; N190-I194 PolarHBondContact O-N 2.88Å; A191-I194 PolarHBondContact O-N 3.28Å; I194-K196 PolarHBondContact O-N 2.72Å; I194-A197 PolarHBondContact O-N 2.94Å; I194-N198 VanDerWaalsContact O-CB 3.31Å; I194-N198 WeakPolarHBondContact O-CB 3.5Å; I194-N198 PolarHBondContact O-N 3.39Å
195	K	93.8	Very high	90.6	Very high	137 Å²	137	69.1 Å²	69.1	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-48.5	177.9	-176.4	-179.4	175.6	-177.2	0	111.8	A191 E192 R193 N198 E199	A191-K195 WeakPolarHBondContact O-CB 3.32Å; A191-K195 PolarHBondContact O-N 3.26Å; E192-K195 PolarHBondContact O-N 3.48Å; R193-K195 VanDerWaalsContact C-N 3.3Å; R193-K195 PolarHBondContact O-N 3.45Å; K195-N198 PolarHBondContact O-N 3.19Å; K195-E199 VanDerWaalsContact CE-OE1 3.25Å; K195-E199 WeakPolarHBondContact CE-OE1 3.37Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 3.39Å
196	K	91.1	Very high	89.4	Confident	112 Å²	112	78.9 Å²	78.9	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-45.3	178.1	-73.8	170.5	-177.8	164.1	0	112	E192 R193 I194 N198 E199 Q200	E192-K196 WeakPolarHBondContact O-CG 3.45Å; E192-K196 PolarHBondContact O-N 3.49Å; R193-K196 PolarHBondContact O-N 3.25Å; I194-K196 PolarHBondContact O-N 2.72Å; K196-N198 VanDerWaalsContact C-N 3.35Å; K196-N198 PolarHBondContact O-N 3.21Å; K196-E199 PolarHBondContact O-N 2.65Å; K196-Q200 WeakPolarHBondContact O-CG 3.32Å; K196-Q200 PolarHBondContact O-N 3.42Å
197	A	90.3	Very high	89.3	Confident	10 Å²	10	82.5 Å²	82.5	8%	0.083	42%	0.415	C	S	.	.	H	α-helix	trans	-62.7	-41.6	177.6	0	0	0	0	0	111.7	M75 L82 R193 I194 Q200 A201	M75-A197 HydrophobicContact CE-CB 3.62Å; L82-A197 HydrophobicContact CD1-CB 3.61Å; L82-A197 WeakPolarHBondContact CD1-O 3.45Å; R193-A197 WeakPolarHBondContact O-CB 3.29Å; R193-A197 PolarHBondContact O-N 3.15Å; I194-A197 PolarHBondContact O-N 2.94Å; A197-Q200 PolarHBondContact O-N 3.36Å; A197-A201 WeakPolarHBondContact O-CB 2.94Å; A197-A201 PolarHBondContact O-N 3.04Å
198	N	91.2	Very high	89	Confident	114 Å²	114	84.9 Å²	84.9	61%	0.61	42%	0.422	S	S	*	.	H	α-helix	trans	-65	-40.2	176.7	-168.6	43.4	0	0	0	112.1	I194 K195 K196 A201 S202	I194-N198 VanDerWaalsContact O-CB 3.31Å; I194-N198 WeakPolarHBondContact O-CB 3.5Å; I194-N198 PolarHBondContact O-N 3.39Å; K195-N198 PolarHBondContact O-N 3.19Å; K196-N198 VanDerWaalsContact C-N 3.35Å; K196-N198 PolarHBondContact O-N 3.21Å; N198-A201 PolarHBondContact O-N 3.27Å; N198-S202 WeakPolarHBondContact O-CB 3.3Å; N198-S202 PolarHBondContact O-N 3.13Å
199	E	91.6	Very high	88.7	Confident	91 Å²	91	83.2 Å²	83.2	43%	0.425	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-39.9	173.3	-73.2	174.2	-167	0	0	112.3	K195 K196 K203	K195-E199 VanDerWaalsContact CE-OE1 3.25Å; K195-E199 WeakPolarHBondContact CE-OE1 3.37Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 3.39Å; K196-E199 PolarHBondContact O-N 2.65Å; E199-K203 WeakPolarHBondContact O-CG 3.43Å; E199-K203 PolarHBondContact O-N 2.89Å; E199-K203 VanDerWaalsContact O-N 3.13Å
200	Q	87.8	Confident	88.4	Confident	60 Å²	60	87.8 Å²	87.8	28%	0.28	44%	0.44	S	S	.	.	H	α-helix	trans	-65.8	-47.4	175.2	-74.6	177.5	-33	0	0	111.7	L82 K196 A197 S202 K203 L204	L82-Q200 HydrophobicContact CD1-CB 4.19Å; K196-Q200 WeakPolarHBondContact O-CG 3.32Å; K196-Q200 PolarHBondContact O-N 3.42Å; A197-Q200 PolarHBondContact O-N 3.36Å; Q200-S202 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 2.79Å; Q200-K203 WeakPolarHBondContact O-CB 3.46Å; Q200-K203 PolarHBondContact O-N 3.42Å; Q200-K203 VanDerWaalsContact O-N 3.11Å; Q200-L204 WeakPolarHBondContact O-CG 3.46Å; Q200-L204 PolarHBondContact O-N 2.88Å
201	A	89	Confident	88.1	Confident	32 Å²	32	93.1 Å²	93.1	26%	0.264	47%	0.466	S	S	.	.	H	α-helix	trans	-58.4	-44.2	176.1	0	0	0	0	0	111.5	L82 A197 N198 K203 L204 L205	L82-A201 HydrophobicContact CD2-CB 3.89Å; A197-A201 WeakPolarHBondContact O-CB 2.94Å; A197-A201 PolarHBondContact O-N 3.04Å; N198-A201 PolarHBondContact O-N 3.27Å; A201-K203 VanDerWaalsContact C-N 3.27Å; A201-K203 PolarHBondContact O-N 3.47Å; A201-L204 PolarHBondContact O-N 3.44Å; A201-L204 VanDerWaalsContact O-N 3.13Å; A201-L205 WeakPolarHBondContact O-CG 3.43Å; A201-L205 PolarHBondContact O-N 3.06Å; A201-L205 VanDerWaalsContact O-N 3.16Å
202	S	89	Confident	87.7	Confident	57 Å²	57	95.5 Å²	95.5	40%	0.399	47%	0.465	S	S	.	.	H	α-helix	trans	-62.2	-32.7	176.5	-175.3	0	0	0	0	113	N198 Q200	N198-S202 WeakPolarHBondContact O-CB 3.3Å; N198-S202 PolarHBondContact O-N 3.13Å; Q200-S202 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 2.79Å
203	K	87.4	Confident	87.3	Confident	148 Å²	148	94.6 Å²	94.6	64%	0.643	46%	0.463	S	S	*	.	H	α-helix	trans	-71.9	-34	174.1	-73.4	169.5	-176.2	172.2	0	112.8	E199 Q200 A201 L205 K206	E199-K203 WeakPolarHBondContact O-CG 3.43Å; E199-K203 PolarHBondContact O-N 2.89Å; E199-K203 VanDerWaalsContact O-N 3.13Å; Q200-K203 WeakPolarHBondContact O-CB 3.46Å; Q200-K203 PolarHBondContact O-N 3.42Å; Q200-K203 VanDerWaalsContact O-N 3.11Å; A201-K203 VanDerWaalsContact C-N 3.27Å; A201-K203 PolarHBondContact O-N 3.47Å; K203-L205 VanDerWaalsContact C-N 3.31Å; K203-K206 PolarHBondContact O-N 3.41Å
204	L	80	Confident	87	Confident	66 Å²	66	99.5 Å²	99.5	35%	0.346	49%	0.489	S	S	.	.	H	α-helix	trans	-73.6	-22.5	177.9	-67.7	171.6	0	0	0	113.1	L82 L85 N86 Q200 A201 K206	L82-L204 HydrophobicContact CD2-CD1 3.88Å; L85-L204 HydrophobicContact CB-CD1 3.91Å; N86-L204 HydrophobicContact CB-CD2 4.25Å; Q200-L204 WeakPolarHBondContact O-CG 3.46Å; Q200-L204 PolarHBondContact O-N 2.88Å; A201-L204 PolarHBondContact O-N 3.44Å; A201-L204 VanDerWaalsContact O-N 3.13Å; L204-K206 VanDerWaalsContact C-N 3.33Å
205	L	78	Confident	86.5	Confident	156 Å²	156	101.1 Å²	101.1	82%	0.817	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.7	175.9	-71	173.4	0	0	0	114.1	A201 K203	A201-L205 WeakPolarHBondContact O-CG 3.43Å; A201-L205 PolarHBondContact O-N 3.06Å; A201-L205 VanDerWaalsContact O-N 3.16Å; K203-L205 VanDerWaalsContact C-N 3.31Å
206	K	69.1	Low	85.9	Confident	230 Å²	230	97.8 Å²	97.8	100%	1	49%	0.487	S	S	*	.			trans	-98.2	0	178.8	-69.9	-178.7	-178.9	-178.5	0	110.7	K203 L204	K203-K206 PolarHBondContact O-N 3.41Å; L204-K206 VanDerWaalsContact C-N 3.33Å

Retrieved 206 of 206 residues in 283.3 ms (Link to these results)

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