A0A3Q0KBL8_SCHMA Loading...

COX assembly mitochondrial protein

AlphaFold DB , UniProt , Accession A0A3Q0KBL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 aa.

						>A0A3Q0KBL8_SCHMA|A0A3Q0KBL8
MQGYASYAGGPVGLGDPNSKYISSTERSNVISKFVQEKLISELCVDEWKDWRKCIRGKRGEWFGTWNCKPKYLIFEQCQMRYLQDLEQLKKFEEEYLSLRTEYRKTGVGRAFMTKERIRELCEL
					

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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	36.6	Very low	63.7	Low	242 Å²	242	104.7 Å²	104.7	100%	1.192	61%	0.612	S	S	*	*				0	111.5	0	-69.8	170.1	175.4	0	0	106.9	G3	M1-G3 PolarHBondContact O-N 3.03Å
2	Q	45.5	Very low	65.9	Low	175 Å²	175	101.3 Å²	101.3	82%	0.818	59%	0.593	S	S	*	*			trans	-69.3	103.6	172.8	-72.8	173.2	21.8	0	0	105.8	Y4	Q2-Y4 PolarHBondContact O-N 3.34Å
3	G	48.8	Very low	67.5	Low	67 Å²	67	96.9 Å²	96.9	69%	0.691	58%	0.583	S	S	*	*			trans	-57.4	109.8	174.1	0	0	0	0	0	106.9	M1 A5	M1-G3 PolarHBondContact O-N 3.03Å; G3-A5 PolarHBondContact O-N 3.29Å
4	Y	52	Low	68.9	Low	207 Å²	207	93.7 Å²	93.7	81%	0.812	56%	0.56	S	S	*	*			trans	-52.5	121.5	169.8	-59.7	-85.4	0	0	0	105.6	Q2 S6	Q2-Y4 PolarHBondContact O-N 3.34Å; Y4-S6 VanDerWaalsContact C-N 3.35Å; Y4-S6 PolarHBondContact O-N 3.31Å
5	A	57.6	Low	70.1	Confident	26 Å²	26	87.5 Å²	87.5	22%	0.215	52%	0.523	C	S	.	.			trans	-56.1	108.5	173.8	0	0	0	0	0	106.3	G3 Y7 Y21	G3-A5 PolarHBondContact O-N 3.29Å; A5-Y7 PolarHBondContact O-N 2.92Å; A5-Y21 HydrophobicContact CB-CD1 3.32Å; A5-Y21 HydrophobicContact CB-CE1 4.03Å; A5-Y21 HydrophobicContact CB-CG 3.88Å
6	S	59.8	Low	71.3	Confident	75 Å²	75	86.8 Å²	86.8	52%	0.524	52%	0.516	S	S	.	.			trans	-65.5	131.1	-172.1	-175.4	0	0	0	0	108.3	Y4 A8	Y4-S6 VanDerWaalsContact C-N 3.35Å; Y4-S6 PolarHBondContact O-N 3.31Å; S6-A8 PolarHBondContact O-N 3.24Å; S6-A8 WeakPolarHBondContact OG-CB 3.33Å; S6-A8 PolarHBondContact OG-N 3.3Å; S6-A8 VanDerWaalsContact OG-N 3.09Å
7	Y	70.6	Confident	72.3	Confident	117 Å²	117	82.3 Å²	82.3	46%	0.459	49%	0.49	S	S	.	.	S	Bend	trans	-75.2	3.7	167.3	-67.3	-80.2	0	0	0	111.8	A5 L14 G15 S23 E26	A5-Y7 PolarHBondContact O-N 2.92Å; Y7-L14 CarbonylContact O-C 3.34Å; Y7-G15 PolarHBondContact O-N 3.44Å; Y7-S23 WeakPolarHBondContact OH-CB 3.44Å; Y7-S23 PolarHBondContact OH-OG 2.81Å; Y7-E26 HydrophobicContact CE1-CG 4.5Å; Y7-E26 WeakPolarHBondContact OH-CG 3.37Å; Y7-E26 PolarHBondContact OH-OE2 3.35Å
8	A	74.5	Confident	73.2	Confident	68 Å²	68	84.6 Å²	84.6	56%	0.562	50%	0.499	S	S	*	.	S	Bend	trans	-100.4	152.3	171.8	0	0	0	0	0	111.5	S6	S6-A8 PolarHBondContact O-N 3.24Å; S6-A8 WeakPolarHBondContact OG-CB 3.33Å; S6-A8 PolarHBondContact OG-N 3.3Å; S6-A8 VanDerWaalsContact OG-N 3.09Å
9	G	81.9	Confident	73.9	Confident	41 Å²	41	81.4 Å²	81.4	42%	0.423	48%	0.482	S	S	.	.			trans	92.2	-166.2	-178.2	0	0	0	0	0	113.3	G13 L14 G15	G9-G13 CarbonylContact O-C 3.06Å; G9-G13 WeakPolarHBondContact O-CA 3.29Å; G9-G13 PolarHBondContact O-N 3.09Å; G9-L14 PolarHBondContact O-N 2.94Å; G9-L14 VanDerWaalsContact O-N 3.1Å; G9-G15 WeakPolarHBondContact O-CA 3.42Å; G9-G15 PolarHBondContact O-N 3.01Å
10	G	85	Confident	74.6	Confident	44 Å²	44	86 Å²	86	45%	0.454	50%	0.495	S	S	.	.	S	Bend	trans	76	176.5	-171.7	0	0	0	0	0	113.2	V12 G13	G10-V12 VanDerWaalsContact C-N 3.26Å; G10-V12 PolarHBondContact O-N 3.37Å; G10-G13 PolarHBondContact O-N 2.81Å
11	P	88.7	Confident	75.3	Confident	90 Å²	90	86.9 Å²	86.9	58%	0.584	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.3	-169.3	26.2	-34.4	0	0	0	113.9	P17 R104	P11-P17 HydrophobicContact CG-CG 3.95Å; P11-R104 VanDerWaalsContact CG-O 3.31Å; P11-R104 WeakPolarHBondContact CG-O 3.38Å
12	V	89.7	Confident	77.8	Confident	64 Å²	64	76.3 Å²	76.3	39%	0.388	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	16.2	178.2	-60.8	0	0	0	0	112.9	G10 L14 R104	G10-V12 VanDerWaalsContact C-N 3.26Å; G10-V12 PolarHBondContact O-N 3.37Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 HydrophobicContact CG2-CB 4.14Å; V12-L14 HydrophobicContact CG2-CD1 3.75Å; V12-L14 HydrophobicContact CG2-CG 3.97Å; V12-L14 PolarHBondContact O-N 3.06Å; V12-R104 VanDerWaalsContact CG2-O 3.3Å; V12-R104 WeakPolarHBondContact CG2-O 3.45Å
13	G	87.2	Confident	79.8	Confident	44 Å²	44	68.5 Å²	68.5	45%	0.454	40%	0.404	S	S	.	.	S	Bend	trans	74.9	12.8	177.6	0	0	0	0	0	115.8	G9 G10	G9-G13 CarbonylContact O-C 3.06Å; G9-G13 WeakPolarHBondContact O-CA 3.29Å; G9-G13 PolarHBondContact O-N 3.09Å; G10-G13 PolarHBondContact O-N 2.81Å
14	L	87.2	Confident	81.7	Confident	52 Å²	52	69.6 Å²	69.6	27%	0.272	40%	0.401	S	S	.	.	S	Bend	trans	-103.5	16.6	-176.6	-63.9	173.5	0	0	0	114.1	Y7 G9 V12 Y103 R104	Y7-L14 CarbonylContact O-C 3.34Å; G9-L14 PolarHBondContact O-N 2.94Å; G9-L14 VanDerWaalsContact O-N 3.1Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 HydrophobicContact CG2-CB 4.14Å; V12-L14 HydrophobicContact CG2-CD1 3.75Å; V12-L14 HydrophobicContact CG2-CG 3.97Å; V12-L14 PolarHBondContact O-N 3.06Å; L14-Y103 HydrophobicContact CD1-CD1 4.34Å; L14-Y103 HydrophobicContact CD1-CD2 4.27Å; L14-Y103 HydrophobicContact CD1-CE1 3.82Å; L14-Y103 HydrophobicContact CD1-CE2 3.77Å; L14-R104 HydrophobicContact CB-CG 4.31Å; L14-R104 WeakPolarHBondContact O-CG 3.42Å; L14-R104 PolarHBondContact O-NE 3.14Å; L14-R104 VanDerWaalsContact O-NE 3.15Å
15	G	86.6	Confident	83.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	39%	0.388	C	S	.	.			trans	94.7	171.5	-177	0	0	0	0	0	113.2	Y7 G9 P17	Y7-G15 PolarHBondContact O-N 3.44Å; G9-G15 WeakPolarHBondContact O-CA 3.42Å; G9-G15 PolarHBondContact O-N 3.01Å; G15-P17 WeakPolarHBondContact O-CD 3.46Å
16	D	89.3	Confident	84.9	Confident	77 Å²	77	63.3 Å²	63.3	41%	0.412	38%	0.381	S	S	.	.			trans	-66.1	120.6	-178.3	177.9	12.9	0	0	0	111.6	N18 S19 R104	D16-N18 PolarHBondContact O-N 3.07Å; D16-N18 PolarHBondContact OD1-N 3.41Å; D16-S19 WeakPolarHBondContact O-CB 3.31Å; D16-S19 PolarHBondContact O-N 2.76Å; D16-R104 WeakPolarHBondContact O-CD 3.3Å; D16-R104 PolarHBondContact O-NH1 3.05Å
17	P	88.4	Confident	86.3	Confident	10 Å²	10	66.4 Å²	66.4	7%	0.065	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.7	176.2	-19.8	30.9	0	0	0	114.8	P11 G15 T101 R104 K105	P11-P17 HydrophobicContact CG-CG 3.95Å; G15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-T101 HydrophobicContact CB-CG2 4.15Å; P17-T101 WeakPolarHBondContact O-CB 3.47Å; P17-T101 WeakPolarHBondContact O-CG2 3.37Å; P17-T101 PolarHBondContact O-OG1 3.5Å; P17-R104 HydrophobicContact CB-CB 4.01Å; P17-R104 HydrophobicContact CG-CB 3.93Å; P17-K105 HydrophobicContact CB-CG 3.79Å; P17-K105 HydrophobicContact CG-CG 3.92Å
18	N	87.5	Confident	87.2	Confident	123 Å²	123	64.3 Å²	64.3	66%	0.658	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.1	-178.4	-59.4	-47.8	0	0	0	112.8	D16 K20	D16-N18 PolarHBondContact O-N 3.07Å; D16-N18 PolarHBondContact OD1-N 3.41Å; N18-K20 PolarHBondContact O-N 3.08Å
19	S	88.1	Confident	88	Confident	25 Å²	25	65.1 Å²	65.1	18%	0.175	38%	0.379	C	S	.	.			trans	-64.8	127.1	177.1	175.8	0	0	0	0	110.6	D16 Y21 R100	D16-S19 WeakPolarHBondContact O-CB 3.31Å; D16-S19 PolarHBondContact O-N 2.76Å; S19-Y21 PolarHBondContact OG-N 3.36Å; S19-R100 PolarHBondContact O-NH2 3.27Å
20	K	87.8	Confident	88.4	Confident	173 Å²	173	65.9 Å²	65.9	75%	0.752	38%	0.375	S	S	*	.			trans	-96	-1.5	172.6	-62.1	-171.6	178.5	-174	0	113.2	N18 I22 L97	N18-K20 PolarHBondContact O-N 3.08Å; K20-I22 PolarHBondContact O-N 3.38Å; K20-L97 HydrophobicContact CB-CD1 4.45Å
21	Y	89	Confident	88.8	Confident	105 Å²	105	64.4 Å²	64.4	41%	0.412	36%	0.357	S	S	.	.			trans	-68.7	130.3	177.6	175.6	-92.8	0	0	0	110	A5 S19 R100	A5-Y21 HydrophobicContact CB-CD1 3.32Å; A5-Y21 HydrophobicContact CB-CE1 4.03Å; A5-Y21 HydrophobicContact CB-CG 3.88Å; S19-Y21 PolarHBondContact OG-N 3.36Å; Y21-R100 VanDerWaalsContact O-CZ 3.26Å; Y21-R100 PolarHBondContact O-NH1 2.8Å; Y21-R100 PolarHBondContact O-NH2 3.1Å
22	I	88.6	Confident	89	Confident	19 Å²	19	63.1 Å²	63.1	10%	0.097	35%	0.35	C	S	.	.			trans	-112.3	120.7	175.1	-61.8	171	0	0	0	107	K20 E26 R27 I31 E93 L97	K20-I22 PolarHBondContact O-N 3.38Å; I22-E26 HydrophobicContact CG2-CB 3.92Å; I22-R27 HydrophobicContact CG2-CB 4.19Å; I22-I31 HydrophobicContact CD1-CD1 3.91Å; I22-I31 HydrophobicContact CG1-CD1 4.47Å; I22-I31 HydrophobicContact CG2-CD1 3.47Å; I22-I31 VanDerWaalsContact CG2-CD1 3.47Å; I22-E93 HydrophobicContact CD1-CB 4.38Å; I22-E93 HydrophobicContact CD1-CG 4.37Å; I22-L97 HydrophobicContact CD1-CD1 4.32Å; I22-L97 HydrophobicContact CD1-CD2 4.09Å; I22-L97 HydrophobicContact CD1-CG 4.14Å; I22-L97 HydrophobicContact CG1-CD2 3.82Å; I22-L97 HydrophobicContact CG1-CG 4.42Å
23	S	87.9	Confident	89.3	Confident	12 Å²	12	64.9 Å²	64.9	8%	0.084	35%	0.352	C	S	.	.			trans	-71.6	160.3	176.9	76.2	0	0	0	0	111.8	Y7 T25 E26 R27	Y7-S23 WeakPolarHBondContact OH-CB 3.44Å; Y7-S23 PolarHBondContact OH-OG 2.81Å; S23-T25 PolarHBondContact O-N 2.7Å; S23-T25 PolarHBondContact OG-N 3.17Å; S23-E26 PolarHBondContact N-OE2 3.43Å; S23-E26 PolarHBondContact O-N 2.9Å; S23-E26 PolarHBondContact OG-N 3.15Å; S23-E26 PolarHBondContact OG-OE2 2.88Å; S23-R27 PolarHBondContact O-N 3.1Å
24	S	88.3	Confident	89.7	Confident	90 Å²	90	63 Å²	63	63%	0.629	33%	0.331	S	S	*	.	H	α-helix	trans	-56.3	-37.9	172.3	52.4	0	0	0	0	111.9	R27 S28	S24-R27 PolarHBondContact O-N 3.02Å; S24-S28 WeakPolarHBondContact O-CB 3.21Å; S24-S28 PolarHBondContact O-N 2.78Å; S24-S28 PolarHBondContact O-OG 2.8Å; S24-S28 VanDerWaalsContact O-OG 3.05Å
25	T	87.8	Confident	90	Very high	87 Å²	87	61.2 Å²	61.2	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-42.5	177.2	-53.9	0	0	0	0	112.4	S23 R27 S28 N29	S23-T25 PolarHBondContact O-N 2.7Å; S23-T25 PolarHBondContact OG-N 3.17Å; T25-R27 VanDerWaalsContact C-N 3.34Å; T25-S28 PolarHBondContact O-OG 3.32Å; T25-N29 WeakPolarHBondContact O-CB 3.4Å; T25-N29 PolarHBondContact O-N 3.31Å; T25-N29 PolarHBondContact O-ND2 3.35Å
26	E	88.5	Confident	90.4	Very high	14 Å²	14	65 Å²	65	7%	0.065	34%	0.341	C	S	.	.	I	π-helix	trans	-62.8	-44.9	174.7	-78.5	172.1	117	0	0	110.4	Y7 I22 S23 V30 I31 Y96 R100 R104	Y7-E26 HydrophobicContact CE1-CG 4.5Å; Y7-E26 WeakPolarHBondContact OH-CG 3.37Å; Y7-E26 PolarHBondContact OH-OE2 3.35Å; I22-E26 HydrophobicContact CG2-CB 3.92Å; S23-E26 PolarHBondContact N-OE2 3.43Å; S23-E26 PolarHBondContact O-N 2.9Å; S23-E26 PolarHBondContact OG-N 3.15Å; S23-E26 PolarHBondContact OG-OE2 2.88Å; E26-V30 PolarHBondContact O-N 3.18Å; E26-I31 PolarHBondContact O-N 2.8Å; E26-Y96 PolarHBondContact OE1-OH 3.43Å; E26-Y96 VanDerWaalsContact OE1-OH 3.13Å; E26-R100 VanDerWaalsContact CD-NH1 3.3Å; E26-R100 WeakPolarHBondContact OE1-CD 3.48Å; E26-R100 IonicContact OE1-CZ 3.75Å; E26-R100 IonicContact OE1-NE 3.9Å; E26-R100 IonicContact OE1-NH1 2.8Å; E26-R100 PolarHBondContact OE1-NH1 2.99Å; E26-R100 IonicContact OE2-NH1 3.17Å; E26-R100 PolarHBondContact OE2-NH1 2.99Å; E26-R100 VanDerWaalsContact OE2-NH1 3.17Å; E26-R104 IonicContact OE1-NH2 3.82Å
27	R	89.9	Confident	90.7	Very high	140 Å²	140	61.6 Å²	61.6	53%	0.528	32%	0.322	S	S	.	.	I	π-helix	trans	-62.5	-47.6	179.2	-170.7	178.2	-75.5	152.2	-3.7	112.4	I22 S23 S24 T25 S32 E93	I22-R27 HydrophobicContact CG2-CB 4.19Å; S23-R27 PolarHBondContact O-N 3.1Å; S24-R27 PolarHBondContact O-N 3.02Å; T25-R27 VanDerWaalsContact C-N 3.34Å; R27-S32 PolarHBondContact O-N 3.37Å; R27-E93 IonicContact NE-OE1 3.3Å; R27-E93 IonicContact NH2-OE1 3.79Å
28	S	89.4	Confident	91	Very high	73 Å²	73	62.2 Å²	62.2	51%	0.51	32%	0.324	S	S	.	.	I	π-helix	trans	-74.1	-31.8	-175.5	62.7	0	0	0	0	113.8	S24 T25 S32	S24-S28 WeakPolarHBondContact O-CB 3.21Å; S24-S28 PolarHBondContact O-N 2.78Å; S24-S28 PolarHBondContact O-OG 2.8Å; S24-S28 VanDerWaalsContact O-OG 3.05Å; T25-S28 PolarHBondContact O-OG 3.32Å; S28-S32 VanDerWaalsContact O-CB 3.22Å; S28-S32 WeakPolarHBondContact O-CB 3.33Å
29	N	90.4	Very high	91.3	Very high	85 Å²	85	56.5 Å²	56.5	46%	0.455	29%	0.293	S	S	.	.	I	π-helix	trans	-107.9	-58.3	-174.5	-64.4	-65.9	0	0	0	113.2	T25 K33	T25-N29 WeakPolarHBondContact O-CB 3.4Å; T25-N29 PolarHBondContact O-N 3.31Å; T25-N29 PolarHBondContact O-ND2 3.35Å; N29-K33 VanDerWaalsContact O-CG 3.28Å; N29-K33 WeakPolarHBondContact O-CG 3.47Å; N29-K33 PolarHBondContact O-N 3.39Å
30	V	91.7	Very high	91.6	Very high	57 Å²	57	55.4 Å²	55.4	35%	0.345	29%	0.285	S	S	.	.	I	π-helix	trans	-79	-50.4	-167.8	-171.6	0	0	0	0	110.7	E26 S32 K33 F34 Y96 F112	E26-V30 PolarHBondContact O-N 3.18Å; V30-S32 VanDerWaalsContact C-N 3.33Å; V30-S32 PolarHBondContact O-N 2.98Å; V30-K33 PolarHBondContact O-N 3.47Å; V30-F34 WeakPolarHBondContact O-CB 3.36Å; V30-F34 PolarHBondContact O-N 3.44Å; V30-Y96 HydrophobicContact CB-CE2 4.24Å; V30-Y96 HydrophobicContact CG1-CE2 3.55Å; V30-F112 HydrophobicContact CG1-CD2 4.23Å; V30-F112 HydrophobicContact CG1-CE2 4.27Å
31	I	93	Very high	91.9	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	26%	0.257	C	S	.	.	I	π-helix	trans	-63.9	-43.1	178.2	-61.8	-175.7	0	0	0	110	I22 E26 K33 F34 V35 Y96	I22-I31 HydrophobicContact CD1-CD1 3.91Å; I22-I31 HydrophobicContact CG1-CD1 4.47Å; I22-I31 HydrophobicContact CG2-CD1 3.47Å; I22-I31 VanDerWaalsContact CG2-CD1 3.47Å; E26-I31 PolarHBondContact O-N 2.8Å; I31-K33 VanDerWaalsContact C-N 3.32Å; I31-K33 PolarHBondContact O-N 2.86Å; I31-F34 WeakPolarHBondContact O-CB 3.45Å; I31-F34 PolarHBondContact O-N 3.03Å; I31-V35 HydrophobicContact CG2-CG2 3.96Å; I31-V35 WeakPolarHBondContact O-CB 3.49Å; I31-V35 VanDerWaalsContact O-CG2 3.32Å; I31-V35 WeakPolarHBondContact O-CG2 3.34Å; I31-V35 PolarHBondContact O-N 2.91Å; I31-Y96 HydrophobicContact CD1-CD1 3.46Å; I31-Y96 VanDerWaalsContact CD1-CD1 3.46Å; I31-Y96 HydrophobicContact CD1-CE1 3.63Å; I31-Y96 HydrophobicContact CD1-CG 4.12Å; I31-Y96 HydrophobicContact CG1-CD1 3.47Å; I31-Y96 VanDerWaalsContact CG1-CD1 3.47Å; I31-Y96 HydrophobicContact CG1-CD2 4.02Å; I31-Y96 HydrophobicContact CG1-CE1 3.55Å; I31-Y96 HydrophobicContact CG1-CE2 4.12Å; I31-Y96 HydrophobicContact CG1-CG 3.69Å
32	S	93.4	Very high	92.1	Very high	63 Å²	63	48 Å²	48	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-54	-47.2	176	-175.8	0	0	0	0	112.1	R27 S28 V30 Q36	R27-S32 PolarHBondContact O-N 3.37Å; S28-S32 VanDerWaalsContact O-CB 3.22Å; S28-S32 WeakPolarHBondContact O-CB 3.33Å; V30-S32 VanDerWaalsContact C-N 3.33Å; V30-S32 PolarHBondContact O-N 2.98Å; S32-Q36 WeakPolarHBondContact O-CB 3.46Å; S32-Q36 PolarHBondContact O-N 3.05Å
33	K	94.9	Very high	92.4	Very high	101 Å²	101	49.5 Å²	49.5	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-41.3	176.2	-73.2	176.2	179.7	-175.1	0	113.2	N29 V30 I31 Q36 E37 F112 M113	N29-K33 VanDerWaalsContact O-CG 3.28Å; N29-K33 WeakPolarHBondContact O-CG 3.47Å; N29-K33 PolarHBondContact O-N 3.39Å; V30-K33 PolarHBondContact O-N 3.47Å; I31-K33 VanDerWaalsContact C-N 3.32Å; I31-K33 PolarHBondContact O-N 2.86Å; K33-Q36 PolarHBondContact O-N 2.92Å; K33-E37 WeakPolarHBondContact O-CB 3.06Å; K33-E37 PolarHBondContact O-N 3.15Å; K33-F112 HydrophobicContact CB-CB 3.96Å; K33-M113 HydrophobicContact CB-CB 4.34Å; K33-M113 HydrophobicContact CB-CG 4.03Å; K33-M113 HydrophobicContact CD-CB 4.46Å; K33-M113 HydrophobicContact CG-CB 4.34Å; K33-M113 HydrophobicContact CG-CG 4.33Å
34	F	95.3	Very high	92.8	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-51.4	175.8	160.7	-108.5	0	0	0	111.3	V30 I31 Q36 E37 K38 F92 E95 L99 F112	V30-F34 WeakPolarHBondContact O-CB 3.36Å; V30-F34 PolarHBondContact O-N 3.44Å; I31-F34 WeakPolarHBondContact O-CB 3.45Å; I31-F34 PolarHBondContact O-N 3.03Å; F34-Q36 PolarHBondContact O-N 3.33Å; F34-E37 PolarHBondContact O-N 3.45Å; F34-K38 HydrophobicContact CE2-CD 4.46Å; F34-K38 HydrophobicContact CZ-CD 4.03Å; F34-K38 WeakPolarHBondContact O-CB 3.4Å; F34-K38 PolarHBondContact O-N 3.48Å; F34-F92 HydrophobicContact CE1-CB 4.13Å; F34-F92 WeakPolarHBondContact CE1-O 3.43Å; F34-E95 HydrophobicContact CE2-CG 4.38Å; F34-E95 HydrophobicContact CZ-CB 3.99Å; F34-E95 HydrophobicContact CZ-CG 3.79Å; F34-L99 HydrophobicContact CD2-CD1 4.28Å; F34-L99 HydrophobicContact CE2-CD1 3.99Å; F34-F112 HydrophobicContact CB-CD1 4.07Å; F34-F112 HydrophobicContact CB-CD2 3.85Å; F34-F112 HydrophobicContact CB-CE1 4.14Å; F34-F112 HydrophobicContact CB-CE2 3.92Å; F34-F112 HydrophobicContact CB-CG 3.92Å; F34-F112 HydrophobicContact CB-CZ 4.07Å; F34-F112 AromaticContact CD2-CD1 3.96Å; F34-F112 HydrophobicContact CD2-CD1 3.96Å; F34-F112 AromaticContact CD2-CE1 3.46Å; F34-F112 HydrophobicContact CD2-CE1 3.46Å; F34-F112 VanDerWaalsContact CD2-CE1 3.46Å; F34-F112 HydrophobicContact CD2-CE2 4.46Å; F34-F112 AromaticContact CD2-CZ 3.75Å; F34-F112 HydrophobicContact CD2-CZ 3.75Å; F34-F112 HydrophobicContact CE2-CE1 4.35Å; F34-F112 HydrophobicContact CG-CE1 4.23Å; F34-F112 HydrophobicContact CG-CZ 4.22Å
35	V	95	Very high	93.1	Very high	15 Å²	15	46 Å²	46	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-43.7	179.4	174.3	0	0	0	0	110.4	I31 E37 K38 L39 L83 F92	I31-V35 HydrophobicContact CG2-CG2 3.96Å; I31-V35 WeakPolarHBondContact O-CB 3.49Å; I31-V35 VanDerWaalsContact O-CG2 3.32Å; I31-V35 WeakPolarHBondContact O-CG2 3.34Å; I31-V35 PolarHBondContact O-N 2.91Å; V35-E37 PolarHBondContact O-N 3.44Å; V35-K38 PolarHBondContact O-N 3.48Å; V35-L39 HydrophobicContact CG1-CD1 3.77Å; V35-L39 HydrophobicContact CG1-CG 4.24Å; V35-L39 WeakPolarHBondContact O-CB 3.3Å; V35-L39 VanDerWaalsContact O-CG 3.23Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 2.92Å; V35-L83 HydrophobicContact CG1-CD2 3.73Å; V35-F92 HydrophobicContact CG1-CD2 4.08Å; V35-F92 HydrophobicContact CG1-CE2 4.29Å; V35-F92 HydrophobicContact CG2-CB 4Å; V35-F92 HydrophobicContact CG2-CD2 4.09Å; V35-F92 HydrophobicContact CG2-CG 4.25Å
36	Q	94.2	Very high	93.4	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-46.1	176.5	-176	177.5	26.4	0	0	112.2	S32 K33 F34 L39 I40 M113	S32-Q36 WeakPolarHBondContact O-CB 3.46Å; S32-Q36 PolarHBondContact O-N 3.05Å; K33-Q36 PolarHBondContact O-N 2.92Å; F34-Q36 PolarHBondContact O-N 3.33Å; Q36-L39 PolarHBondContact O-N 3.45Å; Q36-I40 HydrophobicContact CG-CD1 3.79Å; Q36-I40 VanDerWaalsContact O-CG1 3.28Å; Q36-I40 WeakPolarHBondContact O-CG1 3.33Å; Q36-I40 PolarHBondContact O-N 3.06Å; Q36-M113 HydrophobicContact CG-CE 4.26Å
37	E	95.2	Very high	93.7	Very high	5 Å²	5	49 Å²	49	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-47.1	176.7	-173	174.6	123.1	0	0	110.6	K33 F34 V35 L39 I40 S41 R110 F112 M113 R117 L121	K33-E37 WeakPolarHBondContact O-CB 3.06Å; K33-E37 PolarHBondContact O-N 3.15Å; F34-E37 PolarHBondContact O-N 3.45Å; V35-E37 PolarHBondContact O-N 3.44Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 2.95Å; E37-I40 PolarHBondContact O-N 3.2Å; E37-S41 WeakPolarHBondContact O-CB 3.42Å; E37-S41 PolarHBondContact O-N 3.5Å; E37-S41 PolarHBondContact O-OG 2.95Å; E37-R110 IonicContact OE1-CZ 2.83Å; E37-R110 IonicContact OE1-NE 2.85Å; E37-R110 IonicContact OE1-NH2 2.9Å; E37-R110 PolarHBondContact OE1-NH2 3.33Å; E37-F112 WeakPolarHBondContact OE2-CA 3.5Å; E37-M113 HydrophobicContact CB-CG 4.17Å; E37-M113 HydrophobicContact CB-SD 3.81Å; E37-M113 HydrophobicContact CG-SD 4.28Å; E37-M113 PolarHBondContact OE2-N 3.14Å; E37-R117 HydrophobicContact CG-CG 4.4Å; E37-R117 IonicContact OE1-NE 3.9Å; E37-L121 HydrophobicContact CG-CD1 4.43Å
38	K	94.8	Very high	93.9	Very high	23 Å²	23	43.5 Å²	43.5	10%	0.1	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-42.3	178.7	-164.3	176.1	-175.6	74	0	112.3	F34 V35 I40 E42 L43 F92 E95	F34-K38 HydrophobicContact CE2-CD 4.46Å; F34-K38 HydrophobicContact CZ-CD 4.03Å; F34-K38 WeakPolarHBondContact O-CB 3.4Å; F34-K38 PolarHBondContact O-N 3.48Å; V35-K38 PolarHBondContact O-N 3.48Å; K38-I40 PolarHBondContact O-N 3.45Å; K38-E42 HydrophobicContact CG-CB 4.43Å; K38-E42 IonicContact NZ-OE2 2.7Å; K38-E42 PolarHBondContact NZ-OE2 2.89Å; K38-E42 WeakPolarHBondContact O-CA 3.48Å; K38-E42 WeakPolarHBondContact O-CB 3.25Å; K38-E42 PolarHBondContact O-N 3.3Å; K38-L43 HydrophobicContact CG-CD1 4.33Å; K38-L43 PolarHBondContact O-N 3.31Å; K38-L43 VanDerWaalsContact O-N 3.14Å; K38-F92 HydrophobicContact CD-CD1 3.81Å; K38-F92 HydrophobicContact CD-CE1 3.7Å; K38-E95 WeakPolarHBondContact CE-OE2 3.46Å; K38-E95 IonicContact NZ-OE1 3.81Å; K38-E95 PolarHBondContact NZ-OE1 2.92Å; K38-E95 IonicContact NZ-OE2 3.92Å; K38-E95 PolarHBondContact NZ-OE2 3.29Å
39	L	95.2	Very high	94.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.222	C	C	.	.	I	π-helix	trans	-60.9	-45.1	175.2	-73.9	168	0	0	0	111.4	V35 Q36 E37 L43 C44 Q79 Y82 L83	V35-L39 HydrophobicContact CG1-CD1 3.77Å; V35-L39 HydrophobicContact CG1-CG 4.24Å; V35-L39 WeakPolarHBondContact O-CB 3.3Å; V35-L39 VanDerWaalsContact O-CG 3.23Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 2.92Å; Q36-L39 PolarHBondContact O-N 3.45Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 2.95Å; L39-L43 HydrophobicContact CD2-CB 4.35Å; L39-L43 HydrophobicContact CD2-CD1 4.05Å; L39-C44 WeakPolarHBondContact O-CA 3.42Å; L39-C44 VanDerWaalsContact O-CB 3.29Å; L39-C44 WeakPolarHBondContact O-CB 3.23Å; L39-C44 PolarHBondContact O-N 2.88Å; L39-Q79 HydrophobicContact CB-CG 4.26Å; L39-Q79 HydrophobicContact CD1-CB 4.11Å; L39-Q79 HydrophobicContact CD1-CG 3.98Å; L39-Q79 HydrophobicContact CD2-CB 4.46Å; L39-Q79 HydrophobicContact CD2-CG 4.36Å; L39-Q79 HydrophobicContact CG-CG 4.44Å; L39-Y82 HydrophobicContact CD2-CD2 3.91Å; L39-Y82 HydrophobicContact CD2-CG 4.24Å; L39-L83 HydrophobicContact CD1-CD1 4.31Å; L39-L83 HydrophobicContact CD1-CD2 4.39Å; L39-L83 HydrophobicContact CD1-CG 4.37Å
40	I	94.4	Very high	94.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.215	C	C	.	.	I	π-helix	trans	-74.5	-38	-177.6	-66.8	168.6	0	0	0	112.1	Q36 E37 K38 W48 F75 M113 L121	Q36-I40 HydrophobicContact CG-CD1 3.79Å; Q36-I40 VanDerWaalsContact O-CG1 3.28Å; Q36-I40 WeakPolarHBondContact O-CG1 3.33Å; Q36-I40 PolarHBondContact O-N 3.06Å; E37-I40 PolarHBondContact O-N 3.2Å; K38-I40 PolarHBondContact O-N 3.45Å; I40-W48 HydrophobicContact CB-CD2 4.42Å; I40-W48 HydrophobicContact CD1-CE3 4.26Å; I40-W48 HydrophobicContact CD1-CH2 3.88Å; I40-W48 HydrophobicContact CD1-CZ2 4.31Å; I40-W48 HydrophobicContact CD1-CZ3 3.85Å; I40-W48 HydrophobicContact CG1-CD2 4.19Å; I40-W48 HydrophobicContact CG1-CE3 3.95Å; I40-W48 HydrophobicContact CG1-CH2 4.43Å; I40-W48 HydrophobicContact CG1-CZ3 4.04Å; I40-W48 HydrophobicContact CG2-CB 4.45Å; I40-W48 HydrophobicContact CG2-CD2 3.52Å; I40-W48 VanDerWaalsContact CG2-CE2 3.42Å; I40-W48 HydrophobicContact CG2-CE3 4.15Å; I40-W48 HydrophobicContact CG2-CG 3.65Å; I40-W48 HydrophobicContact CG2-CH2 4.49Å; I40-W48 HydrophobicContact CG2-CZ2 3.97Å; I40-F75 HydrophobicContact CG1-CE2 4.31Å; I40-F75 HydrophobicContact CG1-CZ 3.78Å; I40-M113 HydrophobicContact CD1-CE 4.34Å; I40-L121 HydrophobicContact CB-CD1 4.29Å; I40-L121 HydrophobicContact CG2-CB 4.08Å; I40-L121 HydrophobicContact CG2-CD1 3.8Å; I40-L121 HydrophobicContact CG2-CD2 4.05Å; I40-L121 HydrophobicContact CG2-CG 4.17Å
41	S	92.4	Very high	94.4	Very high	23 Å²	23	41.3 Å²	41.3	16%	0.161	21%	0.207	C	C	.	.	I	π-helix	trans	-98.1	-18.2	-170.1	73.3	0	0	0	0	115.4	E37 V45 R117	E37-S41 WeakPolarHBondContact O-CB 3.42Å; E37-S41 PolarHBondContact O-N 3.5Å; E37-S41 PolarHBondContact O-OG 2.95Å; S41-V45 VanDerWaalsContact O-CG2 3.22Å; S41-V45 WeakPolarHBondContact O-CG2 3.46Å; S41-R117 PolarHBondContact OG-NH2 3.07Å
42	E	93.7	Very high	94.3	Very high	101 Å²	101	42.7 Å²	42.7	47%	0.472	21%	0.211	S	C	.	.	I	π-helix	trans	-127.3	-45.6	-175.9	-65	168.9	-150.1	0	0	112.9	K38	K38-E42 HydrophobicContact CG-CB 4.43Å; K38-E42 IonicContact NZ-OE2 2.7Å; K38-E42 PolarHBondContact NZ-OE2 2.89Å; K38-E42 WeakPolarHBondContact O-CA 3.48Å; K38-E42 WeakPolarHBondContact O-CB 3.25Å; K38-E42 PolarHBondContact O-N 3.3Å
43	L	95	Very high	94.2	Very high	49 Å²	49	45.8 Å²	45.8	26%	0.257	22%	0.217	S	C	.	.	I	π-helix	trans	-99.4	-35.1	-164.6	-60.2	174.3	0	0	0	115.5	K38 L39 Y82 F92	K38-L43 HydrophobicContact CG-CD1 4.33Å; K38-L43 PolarHBondContact O-N 3.31Å; K38-L43 VanDerWaalsContact O-N 3.14Å; L39-L43 HydrophobicContact CD2-CB 4.35Å; L39-L43 HydrophobicContact CD2-CD1 4.05Å; L43-Y82 HydrophobicContact CB-CD2 4.27Å; L43-Y82 HydrophobicContact CB-CE1 4.5Å; L43-Y82 HydrophobicContact CB-CE2 3.75Å; L43-Y82 HydrophobicContact CD1-CD1 4.03Å; L43-Y82 HydrophobicContact CD1-CD2 4.35Å; L43-Y82 HydrophobicContact CD1-CE1 4.11Å; L43-Y82 HydrophobicContact CD1-CE2 4.42Å; L43-Y82 HydrophobicContact CD1-CG 4.15Å; L43-Y82 HydrophobicContact CD2-CE1 4.05Å; L43-Y82 HydrophobicContact CG-CE1 4.46Å; L43-F92 HydrophobicContact CD1-CE1 3.93Å; L43-F92 HydrophobicContact CD1-CZ 3.53Å
44	C	96	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-124.3	36	-177.1	-62.1	0	0	0	0	110.7	L39 D46 E47 W48 F75 C78	L39-C44 WeakPolarHBondContact O-CA 3.42Å; L39-C44 VanDerWaalsContact O-CB 3.29Å; L39-C44 WeakPolarHBondContact O-CB 3.23Å; L39-C44 PolarHBondContact O-N 2.88Å; C44-D46 VanDerWaalsContact C-N 3.34Å; C44-D46 PolarHBondContact O-N 3.39Å; C44-E47 WeakPolarHBondContact CA-OE2 3.46Å; C44-W48 WeakPolarHBondContact O-CB 3.41Å; C44-W48 PolarHBondContact O-N 3.33Å; C44-F75 HydrophobicContact CB-CD2 3.97Å; C44-F75 HydrophobicContact CB-CE2 3.82Å; C44-C78 WeakPolarHBondContact CA-SG 3.37Å; C44-C78 HydrophobicContact CB-CB 3.84Å; C44-C78 WeakPolarHBondContact CB-SG 3.47Å; C44-C78 WeakPolarHBondContact SG-CB 3.22Å; C44-C78 CovalentContact SG-SG 2.04Å; C44-C78 PolarHBondContact SG-SG 2.85Å
45	V	94.8	Very high	93.8	Very high	28 Å²	28	43.2 Å²	43.2	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-40.2	-173.2	-178.1	0	0	0	0	111.3	S41 K49	S41-V45 VanDerWaalsContact O-CG2 3.22Å; S41-V45 WeakPolarHBondContact O-CG2 3.46Å; V45-K49 HydrophobicContact CG1-CD 4.01Å; V45-K49 HydrophobicContact CG1-CG 4.4Å; V45-K49 WeakPolarHBondContact O-CB 3.47Å; V45-K49 VanDerWaalsContact O-CG 3.22Å; V45-K49 WeakPolarHBondContact O-CG 3.16Å; V45-K49 PolarHBondContact O-N 3.26Å
46	D	94.7	Very high	93.5	Very high	121 Å²	121	47.8 Å²	47.8	65%	0.647	22%	0.224	S	C	*	.	H	α-helix	trans	-72	-44.7	-176	-68.1	-32.6	0	0	0	111.2	C44 W48 K49 D50	C44-D46 VanDerWaalsContact C-N 3.34Å; C44-D46 PolarHBondContact O-N 3.39Å; D46-W48 VanDerWaalsContact C-N 3.32Å; D46-W48 PolarHBondContact O-N 2.95Å; D46-K49 PolarHBondContact O-N 2.81Å; D46-D50 WeakPolarHBondContact O-CB 3.37Å; D46-D50 PolarHBondContact O-N 2.86Å
47	E	94.5	Very high	93.2	Very high	43 Å²	43	47 Å²	47	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-39.5	174.9	-59.7	88.3	160.2	0	0	111.2	C44 D50 W51 I74 F75 C78 R81	C44-E47 WeakPolarHBondContact CA-OE2 3.46Å; E47-D50 PolarHBondContact O-N 3.07Å; E47-W51 PolarHBondContact O-N 2.7Å; E47-I74 HydrophobicContact CB-CG2 4.37Å; E47-I74 HydrophobicContact CG-CG2 3.79Å; E47-F75 HydrophobicContact CB-CB 3.99Å; E47-F75 HydrophobicContact CB-CD2 4.17Å; E47-C78 HydrophobicContact CG-CB 4.03Å; E47-C78 PolarHBondContact OE1-SG 3.43Å; E47-R81 IonicContact OE1-NH2 2.8Å; E47-R81 PolarHBondContact OE1-NH2 3.26Å
48	W	94.8	Very high	92.8	Very high	26 Å²	26	49.6 Å²	49.6	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-50.3	173.5	177.2	-104.4	0	0	0	111.7	I40 C44 D46 D50 W51 R52 F75 L121	I40-W48 HydrophobicContact CB-CD2 4.42Å; I40-W48 HydrophobicContact CD1-CE3 4.26Å; I40-W48 HydrophobicContact CD1-CH2 3.88Å; I40-W48 HydrophobicContact CD1-CZ2 4.31Å; I40-W48 HydrophobicContact CD1-CZ3 3.85Å; I40-W48 HydrophobicContact CG1-CD2 4.19Å; I40-W48 HydrophobicContact CG1-CE3 3.95Å; I40-W48 HydrophobicContact CG1-CH2 4.43Å; I40-W48 HydrophobicContact CG1-CZ3 4.04Å; I40-W48 HydrophobicContact CG2-CB 4.45Å; I40-W48 HydrophobicContact CG2-CD2 3.52Å; I40-W48 VanDerWaalsContact CG2-CE2 3.42Å; I40-W48 HydrophobicContact CG2-CE3 4.15Å; I40-W48 HydrophobicContact CG2-CG 3.65Å; I40-W48 HydrophobicContact CG2-CH2 4.49Å; I40-W48 HydrophobicContact CG2-CZ2 3.97Å; C44-W48 WeakPolarHBondContact O-CB 3.41Å; C44-W48 PolarHBondContact O-N 3.33Å; D46-W48 VanDerWaalsContact C-N 3.32Å; D46-W48 PolarHBondContact O-N 2.95Å; W48-D50 VanDerWaalsContact C-N 3.29Å; W48-D50 PolarHBondContact O-N 2.94Å; W48-W51 HydrophobicContact CD2-CE3 4.42Å; W48-W51 AromaticContact CE3-CE3 3.73Å; W48-W51 HydrophobicContact CE3-CE3 3.73Å; W48-W51 AromaticContact CE3-CZ3 3.94Å; W48-W51 HydrophobicContact CE3-CZ3 3.94Å; W48-W51 HydrophobicContact CH2-CE3 4.13Å; W48-W51 AromaticContact CH2-CZ3 3.56Å; W48-W51 HydrophobicContact CH2-CZ3 3.56Å; W48-W51 HydrophobicContact CZ2-CZ3 4.39Å; W48-W51 AromaticContact CZ3-CE3 3.59Å; W48-W51 HydrophobicContact CZ3-CE3 3.59Å; W48-W51 HydrophobicContact CZ3-CH2 4.47Å; W48-W51 AromaticContact CZ3-CZ3 3.28Å; W48-W51 HydrophobicContact CZ3-CZ3 3.28Å; W48-W51 PolarHBondContact O-N 3.03Å; W48-R52 HydrophobicContact CD2-CG 4.11Å; W48-R52 HydrophobicContact CG-CG 4.28Å; W48-R52 HydrophobicContact CZ2-CG 4.13Å; W48-R52 WeakPolarHBondContact O-CB 3.07Å; W48-R52 VanDerWaalsContact O-CG 3.28Å; W48-R52 WeakPolarHBondContact O-CG 3.35Å; W48-R52 PolarHBondContact O-N 3.2Å; W48-F75 HydrophobicContact CB-CD2 4.09Å; W48-F75 HydrophobicContact CB-CE2 4Å; W48-F75 HydrophobicContact CD2-CZ 4.47Å; W48-F75 HydrophobicContact CE3-CD1 4.11Å; W48-F75 HydrophobicContact CE3-CD2 4.3Å; W48-F75 AromaticContact CE3-CE1 3.58Å; W48-F75 HydrophobicContact CE3-CE1 3.58Å; W48-F75 AromaticContact CE3-CE2 3.82Å; W48-F75 HydrophobicContact CE3-CE2 3.82Å; W48-F75 HydrophobicContact CE3-CG 4.44Å; W48-F75 AromaticContact CE3-CZ 3.44Å; W48-F75 HydrophobicContact CE3-CZ 3.44Å; W48-F75 VanDerWaalsContact CE3-CZ 3.44Å; W48-F75 HydrophobicContact CZ3-CD1 4.47Å; W48-F75 AromaticContact CZ3-CE1 3.74Å; W48-F75 HydrophobicContact CZ3-CE1 3.74Å; W48-F75 AromaticContact CZ3-CZ 3.89Å; W48-F75 HydrophobicContact CZ3-CZ 3.89Å; W48-L121 PolarHBondContact NE1-O 3.21Å
49	K	94	Very high	92.1	Very high	65 Å²	65	58.9 Å²	58.9	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-41.9	177.6	-79.2	174.3	179.6	169.4	0	111.6	V45 D46 R52 K53 L124	V45-K49 HydrophobicContact CG1-CD 4.01Å; V45-K49 HydrophobicContact CG1-CG 4.4Å; V45-K49 WeakPolarHBondContact O-CB 3.47Å; V45-K49 VanDerWaalsContact O-CG 3.22Å; V45-K49 WeakPolarHBondContact O-CG 3.16Å; V45-K49 PolarHBondContact O-N 3.26Å; D46-K49 PolarHBondContact O-N 2.81Å; K49-R52 PolarHBondContact O-N 2.84Å; K49-K53 WeakPolarHBondContact O-CB 3.2Å; K49-K53 VanDerWaalsContact O-CG 3.26Å; K49-K53 WeakPolarHBondContact O-CG 3.42Å; K49-K53 PolarHBondContact O-N 3.3Å; K49-L124 HydrophobicContact CG-CB 4.03Å
50	D	93.8	Very high	91.3	Very high	56 Å²	56	62.8 Å²	62.8	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-44.4	179	-171.5	46.3	0	0	0	111.8	D46 E47 W48 K53 C54 K71	D46-D50 WeakPolarHBondContact O-CB 3.37Å; D46-D50 PolarHBondContact O-N 2.86Å; E47-D50 PolarHBondContact O-N 3.07Å; W48-D50 VanDerWaalsContact C-N 3.29Å; W48-D50 PolarHBondContact O-N 2.94Å; D50-K53 PolarHBondContact O-N 3.13Å; D50-C54 PolarHBondContact O-N 2.95Å; D50-C54 VanDerWaalsContact O-N 3.11Å; D50-K71 IonicContact OD1-NZ 2.68Å; D50-K71 PolarHBondContact OD1-NZ 3.4Å; D50-K71 VanDerWaalsContact OD2-CD 3.3Å; D50-K71 WeakPolarHBondContact OD2-CD 3.38Å; D50-K71 WeakPolarHBondContact OD2-CG 3.41Å; D50-K71 IonicContact OD2-NZ 2.64Å; D50-K71 PolarHBondContact OD2-NZ 3.34Å
51	W	92.7	Very high	90.9	Very high	48 Å²	48	67.2 Å²	67.2	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-44.7	173.2	179	58.4	0	0	0	112	E47 W48 C54 I55 K71 Y72	E47-W51 PolarHBondContact O-N 2.7Å; W48-W51 HydrophobicContact CD2-CE3 4.42Å; W48-W51 AromaticContact CE3-CE3 3.73Å; W48-W51 HydrophobicContact CE3-CE3 3.73Å; W48-W51 AromaticContact CE3-CZ3 3.94Å; W48-W51 HydrophobicContact CE3-CZ3 3.94Å; W48-W51 HydrophobicContact CH2-CE3 4.13Å; W48-W51 AromaticContact CH2-CZ3 3.56Å; W48-W51 HydrophobicContact CH2-CZ3 3.56Å; W48-W51 HydrophobicContact CZ2-CZ3 4.39Å; W48-W51 AromaticContact CZ3-CE3 3.59Å; W48-W51 HydrophobicContact CZ3-CE3 3.59Å; W48-W51 HydrophobicContact CZ3-CH2 4.47Å; W48-W51 AromaticContact CZ3-CZ3 3.28Å; W48-W51 HydrophobicContact CZ3-CZ3 3.28Å; W48-W51 PolarHBondContact O-N 3.03Å; W51-C54 WeakPolarHBondContact O-CB 3.47Å; W51-C54 PolarHBondContact O-N 3.44Å; W51-I55 HydrophobicContact CD2-CG1 4.34Å; W51-I55 HydrophobicContact CZ2-CD1 4.35Å; W51-I55 HydrophobicContact CZ2-CG1 4.24Å; W51-I55 WeakPolarHBondContact O-CG1 3.49Å; W51-I55 PolarHBondContact O-N 2.91Å; W51-K71 HydrophobicContact CB-CB 4.38Å; W51-Y72 HydrophobicContact CD2-CD2 4Å; W51-Y72 AromaticContact CE2-CD2 3.62Å; W51-Y72 HydrophobicContact CE3-CD2 4.47Å; W51-Y72 HydrophobicContact CG-CD2 4.48Å; W51-Y72 HydrophobicContact CH2-CD2 4.22Å; W51-Y72 HydrophobicContact CH2-CE2 4.4Å; W51-Y72 AromaticContact CZ2-CD2 3.73Å; W51-Y72 HydrophobicContact CZ2-CD2 3.73Å; W51-Y72 HydrophobicContact CZ2-CE2 4.27Å; W51-Y72 AromaticContact NE1-CD2 3.91Å
52	R	91.4	Very high	90.1	Very high	42 Å²	42	77.3 Å²	77.3	16%	0.158	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-44.2	178.1	-73.6	-59.3	-59.2	165.1	-5.4	112.8	W48 K49 C54 I55 R56 C122	W48-R52 HydrophobicContact CD2-CG 4.11Å; W48-R52 HydrophobicContact CG-CG 4.28Å; W48-R52 HydrophobicContact CZ2-CG 4.13Å; W48-R52 WeakPolarHBondContact O-CB 3.07Å; W48-R52 VanDerWaalsContact O-CG 3.28Å; W48-R52 WeakPolarHBondContact O-CG 3.35Å; W48-R52 PolarHBondContact O-N 3.2Å; K49-R52 PolarHBondContact O-N 2.84Å; R52-C54 VanDerWaalsContact C-N 3.27Å; R52-C54 PolarHBondContact O-N 2.71Å; R52-I55 PolarHBondContact O-N 2.83Å; R52-R56 VanDerWaalsContact O-CB 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 PolarHBondContact O-N 2.96Å; R52-C122 PolarHBondContact NE-O 3.45Å; R52-C122 PolarHBondContact NH2-O 3.47Å
53	K	91.8	Very high	89.6	Confident	128 Å²	128	77.6 Å²	77.6	56%	0.557	38%	0.379	S	S	*	.	H	α-helix	trans	-58	-41.9	174.6	-77.2	173.9	-177	177.5	0	111.2	K49 D50 R56 G57	K49-K53 WeakPolarHBondContact O-CB 3.2Å; K49-K53 VanDerWaalsContact O-CG 3.26Å; K49-K53 WeakPolarHBondContact O-CG 3.42Å; K49-K53 PolarHBondContact O-N 3.3Å; D50-K53 PolarHBondContact O-N 3.13Å; K53-R56 PolarHBondContact O-N 3.27Å; K53-G57 PolarHBondContact O-N 3.17Å
54	C	92.3	Very high	88.8	Confident	15 Å²	15	75.6 Å²	75.6	10%	0.101	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-50.4	175.8	-172.4	0	0	0	0	112.1	D50 W51 R52 R56 G57 K58 C68 K71	D50-C54 PolarHBondContact O-N 2.95Å; D50-C54 VanDerWaalsContact O-N 3.11Å; W51-C54 WeakPolarHBondContact O-CB 3.47Å; W51-C54 PolarHBondContact O-N 3.44Å; R52-C54 VanDerWaalsContact C-N 3.27Å; R52-C54 PolarHBondContact O-N 2.71Å; C54-R56 VanDerWaalsContact C-N 3.26Å; C54-R56 PolarHBondContact O-N 3.36Å; C54-G57 PolarHBondContact O-N 3.35Å; C54-K58 WeakPolarHBondContact O-CG 3.32Å; C54-K58 PolarHBondContact O-N 3.29Å; C54-C68 HydrophobicContact CB-CB 3.83Å; C54-C68 WeakPolarHBondContact CB-SG 3.44Å; C54-C68 PolarHBondContact O-SG 3.05Å; C54-C68 VanDerWaalsContact O-SG 3.39Å; C54-C68 WeakPolarHBondContact SG-CA 3.44Å; C54-C68 WeakPolarHBondContact SG-CB 3.38Å; C54-C68 CovalentContact SG-SG 2.03Å; C54-C68 PolarHBondContact SG-SG 3.13Å; C54-K71 HydrophobicContact CB-CD 3.51Å
55	I	89.9	Confident	88.1	Confident	36 Å²	36	80 Å²	80	19%	0.185	40%	0.397	C	S	.	.	H	α-helix	trans	-61.4	-38.1	-179.8	-65.6	-73.4	0	0	0	111.2	W51 R52 R59 T65 C68	W51-I55 HydrophobicContact CD2-CG1 4.34Å; W51-I55 HydrophobicContact CZ2-CD1 4.35Å; W51-I55 HydrophobicContact CZ2-CG1 4.24Å; W51-I55 WeakPolarHBondContact O-CG1 3.49Å; W51-I55 PolarHBondContact O-N 2.91Å; R52-I55 PolarHBondContact O-N 2.83Å; I55-R59 PolarHBondContact O-N 3.49Å; I55-T65 HydrophobicContact CD1-CG2 4.05Å; I55-C68 HydrophobicContact CD1-CB 3.8Å; I55-C68 HydrophobicContact CG1-CB 4.21Å
56	R	88.3	Confident	87.7	Confident	110 Å²	110	87 Å²	87	42%	0.415	42%	0.42	S	S	.	.	H	α-helix	trans	-66.7	-44.1	177.1	-168.9	178.9	-64.3	135.7	4.8	111.5	R52 K53 C54 K58 R59 C122 E123 L124	R52-R56 VanDerWaalsContact O-CB 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 PolarHBondContact O-N 2.96Å; K53-R56 PolarHBondContact O-N 3.27Å; C54-R56 VanDerWaalsContact C-N 3.26Å; C54-R56 PolarHBondContact O-N 3.36Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 3Å; R56-R59 WeakPolarHBondContact O-CB 3.45Å; R56-R59 PolarHBondContact O-N 2.83Å; R56-C122 PolarHBondContact NH2-O 3.21Å; R56-E123 PolarHBondContact NH2-O 3.46Å; R56-L124 PolarHBondContact NH2-OXT 2.97Å
57	G	88.4	Confident	87.4	Confident	63 Å²	63	85 Å²	85	65%	0.649	41%	0.41	S	S	*	.	H	α-helix	trans	-67.3	-29.9	179	0	0	0	0	0	113.9	K53 C54	K53-G57 PolarHBondContact O-N 3.17Å; C54-G57 PolarHBondContact O-N 3.35Å
58	K	86.8	Confident	87.4	Confident	61 Å²	61	83 Å²	83	27%	0.265	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	15.2	-179.3	-55.9	-167.7	-174.8	178.6	0	113.7	C54 R56 G60 E61 N67	C54-K58 WeakPolarHBondContact O-CG 3.32Å; C54-K58 PolarHBondContact O-N 3.29Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 3Å; K58-G60 PolarHBondContact O-N 2.95Å; K58-G60 VanDerWaalsContact O-N 3.14Å; K58-E61 HydrophobicContact CB-CG 4.34Å; K58-E61 WeakPolarHBondContact CG-OE1 3.49Å; K58-E61 PolarHBondContact O-N 3.3Å; K58-E61 VanDerWaalsContact O-N 3.15Å; K58-N67 HydrophobicContact CD-CB 3.53Å; K58-N67 VanDerWaalsContact NZ-CB 3.31Å; K58-N67 PolarHBondContact NZ-O 2.9Å
59	R	79.5	Confident	87.3	Confident	218 Å²	218	87.2 Å²	87.2	82%	0.823	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	116.2	178.2	-179.1	-177.8	-97.5	-167	-6	108.8	I55 R56	I55-R59 PolarHBondContact O-N 3.49Å; R56-R59 WeakPolarHBondContact O-CB 3.45Å; R56-R59 PolarHBondContact O-N 2.83Å
60	G	79.3	Confident	87.3	Confident	84 Å²	84	88.1 Å²	88.1	87%	0.866	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	-10.7	-179.4	0	0	0	0	0	114.5	K58	K58-G60 PolarHBondContact O-N 2.95Å; K58-G60 VanDerWaalsContact O-N 3.14Å
61	E	84.2	Confident	87.3	Confident	94 Å²	94	88.7 Å²	88.7	44%	0.439	43%	0.432	S	S	.	.			trans	-75.1	140	171.4	-65.8	176.1	-155	0	0	110.9	K58 F63 G64 N67	K58-E61 HydrophobicContact CB-CG 4.34Å; K58-E61 WeakPolarHBondContact CG-OE1 3.49Å; K58-E61 PolarHBondContact O-N 3.3Å; K58-E61 VanDerWaalsContact O-N 3.15Å; E61-F63 PolarHBondContact O-N 3.46Å; E61-G64 PolarHBondContact O-N 2.87Å; E61-G64 VanDerWaalsContact O-N 3.14Å; E61-N67 PolarHBondContact OE2-ND2 2.88Å
62	W	76.8	Confident	87.4	Confident	235 Å²	235	90.6 Å²	90.6	89%	0.89	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.5	179.1	-165.8	-62.5	0	0	0	112.7
63	F	81.8	Confident	87.6	Confident	108 Å²	108	91.8 Å²	91.8	47%	0.474	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	28.2	-179.7	-64.7	-72.2	0	0	0	113.3	E61 T65 W66 N67	E61-F63 PolarHBondContact O-N 3.46Å; F63-T65 VanDerWaalsContact C-N 3.26Å; F63-T65 PolarHBondContact O-N 2.94Å; F63-T65 VanDerWaalsContact O-N 3.17Å; F63-W66 HydrophobicContact CB-CB 4.19Å; F63-W66 AromaticContact CD1-CD1 3.83Å; F63-W66 HydrophobicContact CD1-CG 4.18Å; F63-W66 WeakPolarHBondContact O-CB 3.5Å; F63-W66 PolarHBondContact O-N 3.07Å; F63-W66 VanDerWaalsContact O-N 3.08Å; F63-N67 WeakPolarHBondContact O-CB 3.27Å; F63-N67 VanDerWaalsContact O-CG 3.23Å; F63-N67 PolarHBondContact O-N 3.22Å; F63-N67 PolarHBondContact O-ND2 2.85Å
64	G	78.9	Confident	87.8	Confident	6 Å²	6	89.7 Å²	89.7	6%	0.062	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.9	-174.7	0	0	0	0	0	114	E61 C68	E61-G64 PolarHBondContact O-N 2.87Å; E61-G64 VanDerWaalsContact O-N 3.14Å; G64-C68 PolarHBondContact O-N 3.29Å; G64-C68 PolarHBondContact O-SG 3.31Å
65	T	81.6	Confident	88	Confident	94 Å²	94	89.2 Å²	89.2	58%	0.577	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-44.1	176.3	51.2	0	0	0	0	112.7	I55 F63 N67 C68 K69	I55-T65 HydrophobicContact CD1-CG2 4.05Å; F63-T65 VanDerWaalsContact C-N 3.26Å; F63-T65 PolarHBondContact O-N 2.94Å; F63-T65 VanDerWaalsContact O-N 3.17Å; T65-N67 VanDerWaalsContact C-N 3.3Å; T65-N67 PolarHBondContact O-N 3.36Å; T65-C68 CarbonylContact O-C 3.57Å; T65-C68 PolarHBondContact O-N 2.97Å; T65-C68 VanDerWaalsContact O-N 3.07Å; T65-K69 PolarHBondContact O-N 3.3Å
66	W	87.3	Confident	88.2	Confident	174 Å²	174	91.2 Å²	91.2	66%	0.659	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-61.4	-41.9	176.8	-69.2	79.9	0	0	0	111.3	F63 C68 K69	F63-W66 HydrophobicContact CB-CB 4.19Å; F63-W66 AromaticContact CD1-CD1 3.83Å; F63-W66 HydrophobicContact CD1-CG 4.18Å; F63-W66 WeakPolarHBondContact O-CB 3.5Å; F63-W66 PolarHBondContact O-N 3.07Å; F63-W66 VanDerWaalsContact O-N 3.08Å; W66-C68 PolarHBondContact O-N 2.8Å; W66-C68 VanDerWaalsContact O-N 3.16Å; W66-K69 WeakPolarHBondContact O-CB 3.34Å; W66-K69 PolarHBondContact O-N 3.02Å
67	N	88.3	Confident	88.6	Confident	80 Å²	80	92.1 Å²	92.1	43%	0.428	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-67.8	-11.9	177.4	-68	-18.4	0	0	0	113.4	K58 E61 F63 T65	K58-N67 HydrophobicContact CD-CB 3.53Å; K58-N67 VanDerWaalsContact NZ-CB 3.31Å; K58-N67 PolarHBondContact NZ-O 2.9Å; E61-N67 PolarHBondContact OE2-ND2 2.88Å; F63-N67 WeakPolarHBondContact O-CB 3.27Å; F63-N67 VanDerWaalsContact O-CG 3.23Å; F63-N67 PolarHBondContact O-N 3.22Å; F63-N67 PolarHBondContact O-ND2 2.85Å; T65-N67 VanDerWaalsContact C-N 3.3Å; T65-N67 PolarHBondContact O-N 3.36Å
68	C	92.9	Very high	89	Confident	1 Å²	1	89.2 Å²	89.2	1%	0.007	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-107.2	2	175	-63.7	0	0	0	0	113.1	C54 I55 G64 T65 W66 P70 K71 Y72	C54-C68 HydrophobicContact CB-CB 3.83Å; C54-C68 WeakPolarHBondContact CB-SG 3.44Å; C54-C68 PolarHBondContact O-SG 3.05Å; C54-C68 VanDerWaalsContact O-SG 3.39Å; C54-C68 WeakPolarHBondContact SG-CA 3.44Å; C54-C68 WeakPolarHBondContact SG-CB 3.38Å; C54-C68 CovalentContact SG-SG 2.03Å; C54-C68 PolarHBondContact SG-SG 3.13Å; I55-C68 HydrophobicContact CD1-CB 3.8Å; I55-C68 HydrophobicContact CG1-CB 4.21Å; G64-C68 PolarHBondContact O-N 3.29Å; G64-C68 PolarHBondContact O-SG 3.31Å; T65-C68 CarbonylContact O-C 3.57Å; T65-C68 PolarHBondContact O-N 2.97Å; T65-C68 VanDerWaalsContact O-N 3.07Å; W66-C68 PolarHBondContact O-N 2.8Å; W66-C68 VanDerWaalsContact O-N 3.16Å; C68-P70 VanDerWaalsContact C-CD 3.45Å; C68-K71 PolarHBondContact O-N 3.26Å; C68-K71 VanDerWaalsContact O-N 3.15Å; C68-Y72 PolarHBondContact O-N 3.45Å
69	K	92.9	Very high	89.4	Confident	113 Å²	113	87.7 Å²	87.7	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-53.9	-41.8	177	-174	179.2	-179.1	-179	0	113.2	T65 W66 K71 Y72 L73	T65-K69 PolarHBondContact O-N 3.3Å; W66-K69 WeakPolarHBondContact O-CB 3.34Å; W66-K69 PolarHBondContact O-N 3.02Å; K69-K71 VanDerWaalsContact C-N 3.3Å; K69-K71 PolarHBondContact O-N 3.1Å; K69-Y72 WeakPolarHBondContact O-CB 3.45Å; K69-Y72 PolarHBondContact O-N 2.9Å; K69-Y72 VanDerWaalsContact O-N 3.14Å; K69-L73 HydrophobicContact CG-CD1 4.47Å; K69-L73 HydrophobicContact CG-CG 4.46Å; K69-L73 WeakPolarHBondContact O-CG 3.46Å; K69-L73 PolarHBondContact O-N 3.48Å
70	P	94.1	Very high	90.2	Very high	84 Å²	84	80.9 Å²	80.9	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-39.8	178	-25.3	35.5	0	0	0	113.2	C68 L73 I74	C68-P70 VanDerWaalsContact C-CD 3.45Å; P70-L73 PolarHBondContact O-N 3.32Å; P70-I74 WeakPolarHBondContact O-CG1 3.47Å; P70-I74 PolarHBondContact O-N 3.23Å
71	K	93.9	Very high	90.9	Very high	69 Å²	69	84.2 Å²	84.2	30%	0.3	39%	0.385	S	S	.	.	H	α-helix	trans	-70.7	-36	176.6	-66.9	177.3	175.6	-77.5	0	111.9	D50 W51 C54 C68 K69 L73 I74 F75	D50-K71 IonicContact OD1-NZ 2.68Å; D50-K71 PolarHBondContact OD1-NZ 3.4Å; D50-K71 VanDerWaalsContact OD2-CD 3.3Å; D50-K71 WeakPolarHBondContact OD2-CD 3.38Å; D50-K71 WeakPolarHBondContact OD2-CG 3.41Å; D50-K71 IonicContact OD2-NZ 2.64Å; D50-K71 PolarHBondContact OD2-NZ 3.34Å; W51-K71 HydrophobicContact CB-CB 4.38Å; C54-K71 HydrophobicContact CB-CD 3.51Å; C68-K71 PolarHBondContact O-N 3.26Å; C68-K71 VanDerWaalsContact O-N 3.15Å; K69-K71 VanDerWaalsContact C-N 3.3Å; K69-K71 PolarHBondContact O-N 3.1Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 3.29Å; K71-I74 PolarHBondContact O-N 3.49Å; K71-F75 PolarHBondContact O-N 3.3Å; K71-F75 VanDerWaalsContact O-N 3.11Å
72	Y	94.4	Very high	91.3	Very high	87 Å²	87	82.5 Å²	82.5	34%	0.341	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-41.7	171.9	-178.1	-99	0	0	0	112.1	W51 C68 K69 I74 F75 E76	W51-Y72 HydrophobicContact CD2-CD2 4Å; W51-Y72 AromaticContact CE2-CD2 3.62Å; W51-Y72 HydrophobicContact CE3-CD2 4.47Å; W51-Y72 HydrophobicContact CG-CD2 4.48Å; W51-Y72 HydrophobicContact CH2-CD2 4.22Å; W51-Y72 HydrophobicContact CH2-CE2 4.4Å; W51-Y72 AromaticContact CZ2-CD2 3.73Å; W51-Y72 HydrophobicContact CZ2-CD2 3.73Å; W51-Y72 HydrophobicContact CZ2-CE2 4.27Å; W51-Y72 AromaticContact NE1-CD2 3.91Å; C68-Y72 PolarHBondContact O-N 3.45Å; K69-Y72 WeakPolarHBondContact O-CB 3.45Å; K69-Y72 PolarHBondContact O-N 2.9Å; K69-Y72 VanDerWaalsContact O-N 3.14Å; Y72-I74 VanDerWaalsContact C-N 3.28Å; Y72-I74 PolarHBondContact O-N 3.43Å; Y72-F75 HydrophobicContact CD2-CD1 4.29Å; Y72-F75 HydrophobicContact CE2-CD1 4.2Å; Y72-F75 CarbonylContact O-C 3.57Å; Y72-F75 WeakPolarHBondContact O-CB 3.4Å; Y72-F75 PolarHBondContact O-N 2.04Å; Y72-F75 VanDerWaalsContact O-N 3.14Å; Y72-E76 HydrophobicContact CE1-CB 4.42Å; Y72-E76 WeakPolarHBondContact O-CB 3.23Å; Y72-E76 PolarHBondContact O-N 3.49Å
73	L	96.3	Very high	92	Very high	68 Å²	68	74.2 Å²	74.2	36%	0.356	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-35.2	177.6	-68.7	173.1	0	0	0	112.1	K69 P70 K71 E76 Q77	K69-L73 HydrophobicContact CG-CD1 4.47Å; K69-L73 HydrophobicContact CG-CG 4.46Å; K69-L73 WeakPolarHBondContact O-CG 3.46Å; K69-L73 PolarHBondContact O-N 3.48Å; P70-L73 PolarHBondContact O-N 3.32Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 3.29Å; L73-E76 PolarHBondContact O-N 2.89Å; L73-Q77 WeakPolarHBondContact O-CB 3.41Å; L73-Q77 VanDerWaalsContact O-CG 3.24Å; L73-Q77 WeakPolarHBondContact O-CG 3.25Å; L73-Q77 PolarHBondContact O-N 2.77Å
74	I	96.4	Very high	92.6	Very high	84 Å²	84	75.9 Å²	75.9	43%	0.431	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-44.4	173.4	-65.2	167.7	0	0	0	110.3	E47 P70 K71 Y72 Q77 C78	E47-I74 HydrophobicContact CB-CG2 4.37Å; E47-I74 HydrophobicContact CG-CG2 3.79Å; P70-I74 WeakPolarHBondContact O-CG1 3.47Å; P70-I74 PolarHBondContact O-N 3.23Å; K71-I74 PolarHBondContact O-N 3.49Å; Y72-I74 VanDerWaalsContact C-N 3.28Å; Y72-I74 PolarHBondContact O-N 3.43Å; I74-Q77 PolarHBondContact O-N 3.3Å; I74-C78 PolarHBondContact O-N 3.49Å
75	F	95.5	Very high	93.3	Very high	5 Å²	5	78.5 Å²	78.5	2%	0.022	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-42.4	174.1	171.5	-114.1	0	0	0	112.5	I40 C44 E47 W48 K71 Y72 C78 Q79	I40-F75 HydrophobicContact CG1-CE2 4.31Å; I40-F75 HydrophobicContact CG1-CZ 3.78Å; C44-F75 HydrophobicContact CB-CD2 3.97Å; C44-F75 HydrophobicContact CB-CE2 3.82Å; E47-F75 HydrophobicContact CB-CB 3.99Å; E47-F75 HydrophobicContact CB-CD2 4.17Å; W48-F75 HydrophobicContact CB-CD2 4.09Å; W48-F75 HydrophobicContact CB-CE2 4Å; W48-F75 HydrophobicContact CD2-CZ 4.47Å; W48-F75 HydrophobicContact CE3-CD1 4.11Å; W48-F75 HydrophobicContact CE3-CD2 4.3Å; W48-F75 AromaticContact CE3-CE1 3.58Å; W48-F75 HydrophobicContact CE3-CE1 3.58Å; W48-F75 AromaticContact CE3-CE2 3.82Å; W48-F75 HydrophobicContact CE3-CE2 3.82Å; W48-F75 HydrophobicContact CE3-CG 4.44Å; W48-F75 AromaticContact CE3-CZ 3.44Å; W48-F75 HydrophobicContact CE3-CZ 3.44Å; W48-F75 VanDerWaalsContact CE3-CZ 3.44Å; W48-F75 HydrophobicContact CZ3-CD1 4.47Å; W48-F75 AromaticContact CZ3-CE1 3.74Å; W48-F75 HydrophobicContact CZ3-CE1 3.74Å; W48-F75 AromaticContact CZ3-CZ 3.89Å; W48-F75 HydrophobicContact CZ3-CZ 3.89Å; K71-F75 PolarHBondContact O-N 3.3Å; K71-F75 VanDerWaalsContact O-N 3.11Å; Y72-F75 HydrophobicContact CD2-CD1 4.29Å; Y72-F75 HydrophobicContact CE2-CD1 4.2Å; Y72-F75 CarbonylContact O-C 3.57Å; Y72-F75 WeakPolarHBondContact O-CB 3.4Å; Y72-F75 PolarHBondContact O-N 2.04Å; Y72-F75 VanDerWaalsContact O-N 3.14Å; F75-C78 WeakPolarHBondContact O-CB 3.28Å; F75-C78 PolarHBondContact O-N 3Å; F75-Q79 VanDerWaalsContact CD1-NE2 3.35Å; F75-Q79 HydrophobicContact CD2-CG 4.47Å; F75-Q79 HydrophobicContact CE1-CG 4.38Å; F75-Q79 HydrophobicContact CE2-CG 3.98Å; F75-Q79 HydrophobicContact CZ-CG 3.91Å; F75-Q79 WeakPolarHBondContact O-CG 3Å; F75-Q79 PolarHBondContact O-N 2.95Å
76	E	95	Very high	93.8	Very high	78 Å²	78	80.7 Å²	80.7	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-46.2	174.5	-175.1	176.6	-110.9	0	0	111.6	Y72 L73 C78 Q79 M80	Y72-E76 HydrophobicContact CE1-CB 4.42Å; Y72-E76 WeakPolarHBondContact O-CB 3.23Å; Y72-E76 PolarHBondContact O-N 3.49Å; L73-E76 PolarHBondContact O-N 2.89Å; E76-C78 VanDerWaalsContact C-N 3.28Å; E76-C78 PolarHBondContact O-N 3.18Å; E76-Q79 PolarHBondContact O-N 2.79Å; E76-Q79 VanDerWaalsContact O-N 3.13Å; E76-M80 HydrophobicContact CG-CG 4.4Å; E76-M80 VanDerWaalsContact O-CG 3.3Å; E76-M80 WeakPolarHBondContact O-CG 3.49Å; E76-M80 PolarHBondContact O-N 2.76Å
77	Q	96.9	Very high	94.1	Very high	129 Å²	129	78.9 Å²	78.9	60%	0.603	38%	0.376	S	S	*	.	H	α-helix	trans	-58.5	-41.5	175	-75.1	171.7	20	0	0	111.7	L73 I74 Q79 M80 R81	L73-Q77 WeakPolarHBondContact O-CB 3.41Å; L73-Q77 VanDerWaalsContact O-CG 3.24Å; L73-Q77 WeakPolarHBondContact O-CG 3.25Å; L73-Q77 PolarHBondContact O-N 2.77Å; I74-Q77 PolarHBondContact O-N 3.3Å; Q77-Q79 PolarHBondContact O-N 3.14Å; Q77-M80 PolarHBondContact O-N 2.91Å; Q77-R81 WeakPolarHBondContact O-CG 3.34Å; Q77-R81 PolarHBondContact O-N 3.19Å; Q77-R81 VanDerWaalsContact O-N 3.13Å
78	C	96.8	Very high	94.4	Very high	2 Å²	2	77.2 Å²	77.2	1%	0.014	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-48.4	174.7	-179.5	0	0	0	0	111.7	C44 E47 I74 F75 E76 M80 R81 Y82	C44-C78 WeakPolarHBondContact CA-SG 3.37Å; C44-C78 HydrophobicContact CB-CB 3.84Å; C44-C78 WeakPolarHBondContact CB-SG 3.47Å; C44-C78 WeakPolarHBondContact SG-CB 3.22Å; C44-C78 CovalentContact SG-SG 2.04Å; C44-C78 PolarHBondContact SG-SG 2.85Å; E47-C78 HydrophobicContact CG-CB 4.03Å; E47-C78 PolarHBondContact OE1-SG 3.43Å; I74-C78 PolarHBondContact O-N 3.49Å; F75-C78 WeakPolarHBondContact O-CB 3.28Å; F75-C78 PolarHBondContact O-N 3Å; E76-C78 VanDerWaalsContact C-N 3.28Å; E76-C78 PolarHBondContact O-N 3.18Å; C78-M80 VanDerWaalsContact C-N 3.34Å; C78-M80 PolarHBondContact O-N 3.38Å; C78-R81 WeakPolarHBondContact O-CB 3.29Å; C78-R81 PolarHBondContact O-N 2.99Å; C78-R81 PolarHBondContact SG-NH2 3.34Å; C78-Y82 WeakPolarHBondContact O-CD2 3.36Å
79	Q	95	Very high	94.3	Very high	28 Å²	28	80 Å²	80	13%	0.131	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-44.1	178.4	-66	175.8	94.7	0	0	111.8	L39 F75 E76 Q77 R81 Y82 L83	L39-Q79 HydrophobicContact CB-CG 4.26Å; L39-Q79 HydrophobicContact CD1-CB 4.11Å; L39-Q79 HydrophobicContact CD1-CG 3.98Å; L39-Q79 HydrophobicContact CD2-CB 4.46Å; L39-Q79 HydrophobicContact CD2-CG 4.36Å; L39-Q79 HydrophobicContact CG-CG 4.44Å; F75-Q79 VanDerWaalsContact CD1-NE2 3.35Å; F75-Q79 HydrophobicContact CD2-CG 4.47Å; F75-Q79 HydrophobicContact CE1-CG 4.38Å; F75-Q79 HydrophobicContact CE2-CG 3.98Å; F75-Q79 HydrophobicContact CZ-CG 3.91Å; F75-Q79 WeakPolarHBondContact O-CG 3Å; F75-Q79 PolarHBondContact O-N 2.95Å; E76-Q79 PolarHBondContact O-N 2.79Å; E76-Q79 VanDerWaalsContact O-N 3.13Å; Q77-Q79 PolarHBondContact O-N 3.14Å; Q79-R81 VanDerWaalsContact C-N 3.28Å; Q79-R81 PolarHBondContact O-N 3.36Å; Q79-Y82 PolarHBondContact O-N 3.48Å; Q79-Y82 VanDerWaalsContact O-N 3.1Å; Q79-L83 WeakPolarHBondContact O-CG 3.22Å; Q79-L83 PolarHBondContact O-N 3.13Å
80	M	95.1	Very high	94.3	Very high	76 Å²	76	80.7 Å²	80.7	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-33.2	-179	-70	-55.5	-65.9	0	0	112.7	E76 Q77 C78 Y82 L83 Q84	E76-M80 HydrophobicContact CG-CG 4.4Å; E76-M80 VanDerWaalsContact O-CG 3.3Å; E76-M80 WeakPolarHBondContact O-CG 3.49Å; E76-M80 PolarHBondContact O-N 2.76Å; Q77-M80 PolarHBondContact O-N 2.91Å; C78-M80 VanDerWaalsContact C-N 3.34Å; C78-M80 PolarHBondContact O-N 3.38Å; M80-Y82 PolarHBondContact O-N 3.06Å; M80-L83 PolarHBondContact O-N 3.45Å; M80-Q84 HydrophobicContact CE-CG 3.89Å; M80-Q84 VanDerWaalsContact O-CB 3.27Å; M80-Q84 WeakPolarHBondContact O-CB 3.33Å; M80-Q84 VanDerWaalsContact O-CG 3.25Å; M80-Q84 WeakPolarHBondContact O-CG 3.4Å; M80-Q84 PolarHBondContact O-N 3.37Å
81	R	94.9	Very high	94.4	Very high	153 Å²	153	81.7 Å²	81.7	58%	0.577	38%	0.379	S	S	*	.	H	α-helix	trans	-55.8	-40.2	174.2	-70.8	-176.2	-62.6	-163	-2.8	112.5	E47 Q77 C78 Q79	E47-R81 IonicContact OE1-NH2 2.8Å; E47-R81 PolarHBondContact OE1-NH2 3.26Å; Q77-R81 WeakPolarHBondContact O-CG 3.34Å; Q77-R81 PolarHBondContact O-N 3.19Å; Q77-R81 VanDerWaalsContact O-N 3.13Å; C78-R81 WeakPolarHBondContact O-CB 3.29Å; C78-R81 PolarHBondContact O-N 2.99Å; C78-R81 PolarHBondContact SG-NH2 3.34Å; Q79-R81 VanDerWaalsContact C-N 3.28Å; Q79-R81 PolarHBondContact O-N 3.36Å
82	Y	93.5	Very high	94.4	Very high	58 Å²	58	78.8 Å²	78.8	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-82.6	-35	178.9	-65.6	-79.5	0	0	0	112.5	L39 L43 C78 Q79 M80 Q88	L39-Y82 HydrophobicContact CD2-CD2 3.91Å; L39-Y82 HydrophobicContact CD2-CG 4.24Å; L43-Y82 HydrophobicContact CB-CD2 4.27Å; L43-Y82 HydrophobicContact CB-CE1 4.5Å; L43-Y82 HydrophobicContact CB-CE2 3.75Å; L43-Y82 HydrophobicContact CD1-CD1 4.03Å; L43-Y82 HydrophobicContact CD1-CD2 4.35Å; L43-Y82 HydrophobicContact CD1-CE1 4.11Å; L43-Y82 HydrophobicContact CD1-CE2 4.42Å; L43-Y82 HydrophobicContact CD1-CG 4.15Å; L43-Y82 HydrophobicContact CD2-CE1 4.05Å; L43-Y82 HydrophobicContact CG-CE1 4.46Å; C78-Y82 WeakPolarHBondContact O-CD2 3.36Å; Q79-Y82 PolarHBondContact O-N 3.48Å; Q79-Y82 VanDerWaalsContact O-N 3.1Å; M80-Y82 PolarHBondContact O-N 3.06Å; Y82-Q88 HydrophobicContact CD1-CG 4.26Å; Y82-Q88 WeakPolarHBondContact O-CB 3.42Å
83	L	91.5	Very high	94.3	Very high	62 Å²	62	77.8 Å²	77.8	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-79.3	-19.9	-177.4	-64.2	178.3	0	0	0	113.7	V35 L39 Q79 M80 L89	V35-L83 HydrophobicContact CG1-CD2 3.73Å; L39-L83 HydrophobicContact CD1-CD1 4.31Å; L39-L83 HydrophobicContact CD1-CD2 4.39Å; L39-L83 HydrophobicContact CD1-CG 4.37Å; Q79-L83 WeakPolarHBondContact O-CG 3.22Å; Q79-L83 PolarHBondContact O-N 3.13Å; M80-L83 PolarHBondContact O-N 3.45Å; L83-L89 HydrophobicContact CD2-CD2 3.89Å; L83-L89 WeakPolarHBondContact O-CD1 3.07Å
84	Q	93.9	Very high	94.3	Very high	142 Å²	142	79.8 Å²	79.8	66%	0.664	37%	0.372	S	S	*	.	S	Bend	trans	-86	-16.2	174.2	-70.6	176.6	-25.6	0	0	112.9	M80	M80-Q84 HydrophobicContact CE-CG 3.89Å; M80-Q84 VanDerWaalsContact O-CB 3.27Å; M80-Q84 WeakPolarHBondContact O-CB 3.33Å; M80-Q84 VanDerWaalsContact O-CG 3.25Å; M80-Q84 WeakPolarHBondContact O-CG 3.4Å; M80-Q84 PolarHBondContact O-N 3.37Å
85	D	93.2	Very high	94.2	Very high	62 Å²	62	79 Å²	79	33%	0.332	37%	0.367	S	S	.	.			trans	-87.8	111.8	178.6	-175.2	-18.3	0	0	0	110.4	E87 Q88 L89	D85-E87 PolarHBondContact O-N 2.88Å; D85-E87 WeakPolarHBondContact OD1-CB 3.37Å; D85-E87 PolarHBondContact OD1-N 2.7Å; D85-Q88 HydrophobicContact CB-CB 4Å; D85-Q88 HydrophobicContact CB-CG 3.71Å; D85-Q88 PolarHBondContact O-N 2.93Å; D85-Q88 VanDerWaalsContact O-N 3.15Å; D85-Q88 PolarHBondContact OD1-N 3.46Å; D85-Q88 WeakPolarHBondContact OD2-CG 3.32Å; D85-L89 PolarHBondContact O-N 2.89Å
86	L	92	Very high	94.2	Very high	140 Å²	140	79.3 Å²	79.3	73%	0.733	37%	0.368	S	S	*	.	H	α-helix	trans	-61.1	-31.8	179.9	-66.9	176.6	0	0	0	112.8	L89 K90	L86-L89 HydrophobicContact CD2-CD1 4.47Å; L86-K90 WeakPolarHBondContact O-CB 3.28Å; L86-K90 PolarHBondContact O-N 2.86Å; L86-K90 VanDerWaalsContact O-N 3.07Å
87	E	94.5	Very high	94.1	Very high	135 Å²	135	77 Å²	77	63%	0.631	36%	0.358	S	S	*	.	H	α-helix	trans	-70.5	-37.8	177.3	-62.7	-169.6	170.1	0	0	111.2	D85 K90 K91	D85-E87 PolarHBondContact O-N 2.88Å; D85-E87 WeakPolarHBondContact OD1-CB 3.37Å; D85-E87 PolarHBondContact OD1-N 2.7Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K91 WeakPolarHBondContact O-CG 3.24Å; E87-K91 PolarHBondContact O-N 3.48Å
88	Q	93.2	Very high	94	Very high	45 Å²	45	74.5 Å²	74.5	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-44	176	-63.7	-66.3	-21.2	0	0	111.3	Y82 D85 K90 K91 F92	Y82-Q88 HydrophobicContact CD1-CG 4.26Å; Y82-Q88 WeakPolarHBondContact O-CB 3.42Å; D85-Q88 HydrophobicContact CB-CB 4Å; D85-Q88 HydrophobicContact CB-CG 3.71Å; D85-Q88 PolarHBondContact O-N 2.93Å; D85-Q88 VanDerWaalsContact O-N 3.15Å; D85-Q88 PolarHBondContact OD1-N 3.46Å; D85-Q88 WeakPolarHBondContact OD2-CG 3.32Å; Q88-K90 VanDerWaalsContact C-N 3.28Å; Q88-K90 PolarHBondContact O-N 2.87Å; Q88-K91 WeakPolarHBondContact O-CB 3.22Å; Q88-K91 PolarHBondContact O-N 3.34Å; Q88-K91 VanDerWaalsContact O-N 3.14Å; Q88-F92 HydrophobicContact CB-CE2 4.46Å; Q88-F92 WeakPolarHBondContact O-CD2 3.45Å; Q88-F92 WeakPolarHBondContact O-CG 3.47Å; Q88-F92 PolarHBondContact O-N 3.35Å
89	L	91.9	Very high	93.8	Very high	61 Å²	61	76.5 Å²	76.5	32%	0.319	37%	0.365	S	S	.	.	H	α-helix	trans	-57.5	-43.6	175	-70.8	-178.1	0	0	0	111.6	L83 D85 L86 K91 F92 E93	L83-L89 HydrophobicContact CD2-CD2 3.89Å; L83-L89 WeakPolarHBondContact O-CD1 3.07Å; D85-L89 PolarHBondContact O-N 2.89Å; L86-L89 HydrophobicContact CD2-CD1 4.47Å; L89-K91 PolarHBondContact O-N 3.26Å; L89-F92 PolarHBondContact O-N 3.36Å; L89-E93 PolarHBondContact O-N 3.11Å
90	K	93.4	Very high	93.6	Very high	127 Å²	127	75.7 Å²	75.7	55%	0.552	36%	0.361	S	S	*	.	H	α-helix	trans	-62.4	-41.6	176.7	-171.8	179.2	176.4	-171.2	0	112	L86 E87 Q88 F92 E93 E94	L86-K90 WeakPolarHBondContact O-CB 3.28Å; L86-K90 PolarHBondContact O-N 2.86Å; L86-K90 VanDerWaalsContact O-N 3.07Å; E87-K90 PolarHBondContact O-N 2.87Å; Q88-K90 VanDerWaalsContact C-N 3.28Å; Q88-K90 PolarHBondContact O-N 2.87Å; K90-F92 PolarHBondContact O-N 3.49Å; K90-E93 PolarHBondContact O-N 3.41Å; K90-E94 WeakPolarHBondContact CE-OE1 3.35Å; K90-E94 WeakPolarHBondContact O-CG 3.22Å; K90-E94 PolarHBondContact O-N 3.23Å
91	K	94.8	Very high	93.5	Very high	105 Å²	105	73.7 Å²	73.7	46%	0.457	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-43.2	175.2	-72.1	170.3	-172	170.4	0	111.7	E87 Q88 L89 E94 E95	E87-K91 WeakPolarHBondContact O-CG 3.24Å; E87-K91 PolarHBondContact O-N 3.48Å; Q88-K91 WeakPolarHBondContact O-CB 3.22Å; Q88-K91 PolarHBondContact O-N 3.34Å; Q88-K91 VanDerWaalsContact O-N 3.14Å; L89-K91 PolarHBondContact O-N 3.26Å; K91-E94 PolarHBondContact O-N 3Å; K91-E95 WeakPolarHBondContact O-CB 3.28Å; K91-E95 PolarHBondContact O-N 3.23Å
92	F	94.6	Very high	93.4	Very high	7 Å²	7	71.7 Å²	71.7	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-39.9	176.5	-61.7	-26.8	0	0	0	112.3	F34 V35 K38 L43 Q88 L89 K90 E95 Y96	F34-F92 HydrophobicContact CE1-CB 4.13Å; F34-F92 WeakPolarHBondContact CE1-O 3.43Å; V35-F92 HydrophobicContact CG1-CD2 4.08Å; V35-F92 HydrophobicContact CG1-CE2 4.29Å; V35-F92 HydrophobicContact CG2-CB 4Å; V35-F92 HydrophobicContact CG2-CD2 4.09Å; V35-F92 HydrophobicContact CG2-CG 4.25Å; K38-F92 HydrophobicContact CD-CD1 3.81Å; K38-F92 HydrophobicContact CD-CE1 3.7Å; L43-F92 HydrophobicContact CD1-CE1 3.93Å; L43-F92 HydrophobicContact CD1-CZ 3.53Å; Q88-F92 HydrophobicContact CB-CE2 4.46Å; Q88-F92 WeakPolarHBondContact O-CD2 3.45Å; Q88-F92 WeakPolarHBondContact O-CG 3.47Å; Q88-F92 PolarHBondContact O-N 3.35Å; L89-F92 PolarHBondContact O-N 3.36Å; K90-F92 PolarHBondContact O-N 3.49Å; F92-E95 PolarHBondContact O-N 3.25Å; F92-Y96 WeakPolarHBondContact O-CB 3.3Å; F92-Y96 PolarHBondContact O-N 3.35Å
93	E	93.2	Very high	93.4	Very high	67 Å²	67	73.5 Å²	73.5	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-43.3	174	-73.4	-168	155.5	0	0	111.7	I22 R27 L89 K90 Y96 L97	I22-E93 HydrophobicContact CD1-CB 4.38Å; I22-E93 HydrophobicContact CD1-CG 4.37Å; R27-E93 IonicContact NE-OE1 3.3Å; R27-E93 IonicContact NH2-OE1 3.79Å; L89-E93 PolarHBondContact O-N 3.11Å; K90-E93 PolarHBondContact O-N 3.41Å; E93-Y96 PolarHBondContact O-N 2.92Å; E93-L97 WeakPolarHBondContact O-CB 3.41Å; E93-L97 VanDerWaalsContact O-CG 3.25Å; E93-L97 WeakPolarHBondContact O-CG 3.21Å; E93-L97 PolarHBondContact O-N 3.14Å
94	E	94.9	Very high	93.4	Very high	109 Å²	109	70.9 Å²	70.9	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-43.1	177.4	-74.1	174.9	-179	0	0	112.4	K90 K91 L97 S98	K90-E94 WeakPolarHBondContact CE-OE1 3.35Å; K90-E94 WeakPolarHBondContact O-CG 3.22Å; K90-E94 PolarHBondContact O-N 3.23Å; K91-E94 PolarHBondContact O-N 3Å; E94-L97 PolarHBondContact O-N 2.98Å; E94-S98 PolarHBondContact O-N 2.82Å
95	E	95.2	Very high	93.3	Very high	68 Å²	68	69.8 Å²	69.8	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.6	-171.5	178.6	162.5	0	0	111.4	F34 K38 K91 F92 L97 S98 L99	F34-E95 HydrophobicContact CE2-CG 4.38Å; F34-E95 HydrophobicContact CZ-CB 3.99Å; F34-E95 HydrophobicContact CZ-CG 3.79Å; K38-E95 WeakPolarHBondContact CE-OE2 3.46Å; K38-E95 IonicContact NZ-OE1 3.81Å; K38-E95 PolarHBondContact NZ-OE1 2.92Å; K38-E95 IonicContact NZ-OE2 3.92Å; K38-E95 PolarHBondContact NZ-OE2 3.29Å; K91-E95 WeakPolarHBondContact O-CB 3.28Å; K91-E95 PolarHBondContact O-N 3.23Å; F92-E95 PolarHBondContact O-N 3.25Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.39Å; E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.41Å; E95-L99 WeakPolarHBondContact O-CG 3.27Å; E95-L99 PolarHBondContact O-N 2.79Å
96	Y	94.2	Very high	93.3	Very high	12 Å²	12	70.2 Å²	70.2	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-44.9	173.4	168.6	-104.5	0	0	0	112	E26 V30 I31 F92 E93 S98 L99 R100	E26-Y96 PolarHBondContact OE1-OH 3.43Å; E26-Y96 VanDerWaalsContact OE1-OH 3.13Å; V30-Y96 HydrophobicContact CB-CE2 4.24Å; V30-Y96 HydrophobicContact CG1-CE2 3.55Å; I31-Y96 HydrophobicContact CD1-CD1 3.46Å; I31-Y96 VanDerWaalsContact CD1-CD1 3.46Å; I31-Y96 HydrophobicContact CD1-CE1 3.63Å; I31-Y96 HydrophobicContact CD1-CG 4.12Å; I31-Y96 HydrophobicContact CG1-CD1 3.47Å; I31-Y96 VanDerWaalsContact CG1-CD1 3.47Å; I31-Y96 HydrophobicContact CG1-CD2 4.02Å; I31-Y96 HydrophobicContact CG1-CE1 3.55Å; I31-Y96 HydrophobicContact CG1-CE2 4.12Å; I31-Y96 HydrophobicContact CG1-CG 3.69Å; F92-Y96 WeakPolarHBondContact O-CB 3.3Å; F92-Y96 PolarHBondContact O-N 3.35Å; E93-Y96 PolarHBondContact O-N 2.92Å; Y96-S98 VanDerWaalsContact C-N 3.27Å; Y96-S98 PolarHBondContact O-N 3.33Å; Y96-L99 PolarHBondContact O-N 3.13Å; Y96-R100 WeakPolarHBondContact O-CB 3.4Å; Y96-R100 PolarHBondContact O-N 2.81Å
97	L	93.4	Very high	93.2	Very high	29 Å²	29	65.2 Å²	65.2	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-38.7	177.5	-76.8	175.2	0	0	0	111.4	K20 I22 E93 E94 E95 R100 T101	K20-L97 HydrophobicContact CB-CD1 4.45Å; I22-L97 HydrophobicContact CD1-CD1 4.32Å; I22-L97 HydrophobicContact CD1-CD2 4.09Å; I22-L97 HydrophobicContact CD1-CG 4.14Å; I22-L97 HydrophobicContact CG1-CD2 3.82Å; I22-L97 HydrophobicContact CG1-CG 4.42Å; E93-L97 WeakPolarHBondContact O-CB 3.41Å; E93-L97 VanDerWaalsContact O-CG 3.25Å; E93-L97 WeakPolarHBondContact O-CG 3.21Å; E93-L97 PolarHBondContact O-N 3.14Å; E94-L97 PolarHBondContact O-N 2.98Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.39Å; L97-R100 PolarHBondContact O-N 2.82Å; L97-T101 WeakPolarHBondContact O-CB 3.26Å; L97-T101 PolarHBondContact O-N 3.37Å; L97-T101 PolarHBondContact O-OG1 3.29Å; L97-T101 VanDerWaalsContact O-OG1 3.08Å
98	S	94.1	Very high	93	Very high	77 Å²	77	64 Å²	64	54%	0.538	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-49.5	174.7	-173.6	0	0	0	0	111.9	E94 E95 Y96 R100 T101 E102	E94-S98 PolarHBondContact O-N 2.82Å; E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.41Å; Y96-S98 VanDerWaalsContact C-N 3.27Å; Y96-S98 PolarHBondContact O-N 3.33Å; S98-R100 VanDerWaalsContact C-N 3.26Å; S98-R100 PolarHBondContact O-N 2.83Å; S98-T101 WeakPolarHBondContact O-CB 3.22Å; S98-T101 PolarHBondContact O-N 3.33Å; S98-E102 PolarHBondContact O-N 2.8Å
99	L	93.2	Very high	92.6	Very high	44 Å²	44	64.1 Å²	64.1	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-37.9	176.8	-66.4	171.9	0	0	0	111.5	F34 E95 Y96 E102 Y103 F112	F34-L99 HydrophobicContact CD2-CD1 4.28Å; F34-L99 HydrophobicContact CE2-CD1 3.99Å; E95-L99 WeakPolarHBondContact O-CG 3.27Å; E95-L99 PolarHBondContact O-N 2.79Å; Y96-L99 PolarHBondContact O-N 3.13Å; L99-E102 PolarHBondContact O-N 3.03Å; L99-Y103 WeakPolarHBondContact O-CB 3.36Å; L99-Y103 PolarHBondContact O-N 2.84Å; L99-F112 HydrophobicContact CD1-CE1 4.09Å; L99-F112 HydrophobicContact CD1-CZ 3.73Å
100	R	92	Very high	92.4	Very high	11 Å²	11	66.7 Å²	66.7	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-68.5	-41.2	175.8	-171.2	-179.6	74.4	173.1	1.6	112.1	S19 Y21 E26 Y96 L97 S98 E102 Y103 R104	S19-R100 PolarHBondContact O-NH2 3.27Å; Y21-R100 VanDerWaalsContact O-CZ 3.26Å; Y21-R100 PolarHBondContact O-NH1 2.8Å; Y21-R100 PolarHBondContact O-NH2 3.1Å; E26-R100 VanDerWaalsContact CD-NH1 3.3Å; E26-R100 WeakPolarHBondContact OE1-CD 3.48Å; E26-R100 IonicContact OE1-CZ 3.75Å; E26-R100 IonicContact OE1-NE 3.9Å; E26-R100 IonicContact OE1-NH1 2.8Å; E26-R100 PolarHBondContact OE1-NH1 2.99Å; E26-R100 IonicContact OE2-NH1 3.17Å; E26-R100 PolarHBondContact OE2-NH1 2.99Å; E26-R100 VanDerWaalsContact OE2-NH1 3.17Å; Y96-R100 WeakPolarHBondContact O-CB 3.4Å; Y96-R100 PolarHBondContact O-N 2.81Å; L97-R100 PolarHBondContact O-N 2.82Å; S98-R100 VanDerWaalsContact C-N 3.26Å; S98-R100 PolarHBondContact O-N 2.83Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.26Å; R100-Y103 PolarHBondContact O-N 3.12Å; R100-R104 HydrophobicContact CG-CG 4.37Å; R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 3.23Å
101	T	92.9	Very high	92.1	Very high	34 Å²	34	64 Å²	64	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-41.8	175.3	-69.3	0	0	0	0	110.3	P17 L97 S98 R104 K105	P17-T101 HydrophobicContact CB-CG2 4.15Å; P17-T101 WeakPolarHBondContact O-CB 3.47Å; P17-T101 WeakPolarHBondContact O-CG2 3.37Å; P17-T101 PolarHBondContact O-OG1 3.5Å; L97-T101 WeakPolarHBondContact O-CB 3.26Å; L97-T101 PolarHBondContact O-N 3.37Å; L97-T101 PolarHBondContact O-OG1 3.29Å; L97-T101 VanDerWaalsContact O-OG1 3.08Å; S98-T101 WeakPolarHBondContact O-CB 3.22Å; S98-T101 PolarHBondContact O-N 3.33Å; T101-R104 PolarHBondContact O-N 2.83Å; T101-K105 HydrophobicContact CG2-CD 4.11Å; T101-K105 WeakPolarHBondContact O-CB 3.37Å; T101-K105 VanDerWaalsContact O-CG 3.29Å; T101-K105 WeakPolarHBondContact O-CG 3.32Å; T101-K105 PolarHBondContact O-N 3.08Å
102	E	92.9	Very high	92	Very high	111 Å²	111	60 Å²	60	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-47.9	174.9	-172.7	176.5	-176.6	0	0	111.9	S98 L99 R100 R104 K105 T106	S98-E102 PolarHBondContact O-N 2.8Å; L99-E102 PolarHBondContact O-N 3.03Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.26Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 2.64Å; E102-K105 PolarHBondContact O-N 3.33Å; E102-K105 VanDerWaalsContact O-N 3.07Å; E102-T106 HydrophobicContact CG-CG2 4.39Å; E102-T106 PolarHBondContact O-N 2.68Å; E102-T106 PolarHBondContact O-OG1 3.11Å
103	Y	92.4	Very high	91.9	Very high	95 Å²	95	61.2 Å²	61.2	37%	0.373	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-43.2	175.4	175.3	-123.1	0	0	0	112.3	L14 L99 R100 K105 G107	L14-Y103 HydrophobicContact CD1-CD1 4.34Å; L14-Y103 HydrophobicContact CD1-CD2 4.27Å; L14-Y103 HydrophobicContact CD1-CE1 3.82Å; L14-Y103 HydrophobicContact CD1-CE2 3.77Å; L99-Y103 WeakPolarHBondContact O-CB 3.36Å; L99-Y103 PolarHBondContact O-N 2.84Å; R100-Y103 PolarHBondContact O-N 3.12Å; Y103-K105 VanDerWaalsContact C-N 3.29Å; Y103-K105 PolarHBondContact O-N 3.15Å; Y103-G107 WeakPolarHBondContact CE2-O 3.42Å; Y103-G107 VanDerWaalsContact O-CA 3.23Å; Y103-G107 WeakPolarHBondContact O-CA 3.28Å; Y103-G107 PolarHBondContact O-N 2.86Å
104	R	91.5	Very high	91.8	Very high	8 Å²	8	60.2 Å²	60.2	3%	0.03	33%	0.332	C	S	.	.	H	α-helix	trans	-72.9	-17.4	177.9	-72.4	-175.3	173.5	163.3	8.1	113.9	P11 V12 L14 D16 P17 E26 R100 T101 E102	P11-R104 VanDerWaalsContact CG-O 3.31Å; P11-R104 WeakPolarHBondContact CG-O 3.38Å; V12-R104 VanDerWaalsContact CG2-O 3.3Å; V12-R104 WeakPolarHBondContact CG2-O 3.45Å; L14-R104 HydrophobicContact CB-CG 4.31Å; L14-R104 WeakPolarHBondContact O-CG 3.42Å; L14-R104 PolarHBondContact O-NE 3.14Å; L14-R104 VanDerWaalsContact O-NE 3.15Å; D16-R104 WeakPolarHBondContact O-CD 3.3Å; D16-R104 PolarHBondContact O-NH1 3.05Å; P17-R104 HydrophobicContact CB-CB 4.01Å; P17-R104 HydrophobicContact CG-CB 3.93Å; E26-R104 IonicContact OE1-NH2 3.82Å; R100-R104 HydrophobicContact CG-CG 4.37Å; R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 3.23Å; T101-R104 PolarHBondContact O-N 2.83Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 2.64Å
105	K	92.1	Very high	91.6	Very high	118 Å²	118	63.4 Å²	63.4	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-87.6	-41.2	173.8	-78	175.2	-179.1	179.3	0	112.2	P17 T101 E102 Y103	P17-K105 HydrophobicContact CB-CG 3.79Å; P17-K105 HydrophobicContact CG-CG 3.92Å; T101-K105 HydrophobicContact CG2-CD 4.11Å; T101-K105 WeakPolarHBondContact O-CB 3.37Å; T101-K105 VanDerWaalsContact O-CG 3.29Å; T101-K105 WeakPolarHBondContact O-CG 3.32Å; T101-K105 PolarHBondContact O-N 3.08Å; E102-K105 PolarHBondContact O-N 3.33Å; E102-K105 VanDerWaalsContact O-N 3.07Å; Y103-K105 VanDerWaalsContact C-N 3.29Å; Y103-K105 PolarHBondContact O-N 3.15Å
106	T	93	Very high	91.4	Very high	72 Å²	72	66.7 Å²	66.7	44%	0.442	36%	0.359	S	S	.	.	H	α-helix	trans	-107.1	-22.9	-167.4	64.3	0	0	0	0	113.6	E102 V108	E102-T106 HydrophobicContact CG-CG2 4.39Å; E102-T106 PolarHBondContact O-N 2.68Å; E102-T106 PolarHBondContact O-OG1 3.11Å; T106-V108 PolarHBondContact O-N 3.37Å; T106-V108 PolarHBondContact OG1-N 3.49Å
107	G	89.8	Confident	91.3	Very high	35 Å²	35	68.9 Å²	68.9	36%	0.361	37%	0.367	S	S	.	.	S	Bend	trans	76.6	-3.8	-167.2	0	0	0	0	0	113.9	Y103	Y103-G107 WeakPolarHBondContact CE2-O 3.42Å; Y103-G107 VanDerWaalsContact O-CA 3.23Å; Y103-G107 WeakPolarHBondContact O-CA 3.28Å; Y103-G107 PolarHBondContact O-N 2.86Å
108	V	90	Very high	91.2	Very high	110 Å²	110	70.8 Å²	70.8	67%	0.667	38%	0.377	S	S	*	.			trans	-92.8	110	179.8	-175.7	0	0	0	0	108.7	T106	T106-V108 PolarHBondContact O-N 3.37Å; T106-V108 PolarHBondContact OG1-N 3.49Å
109	G	85.8	Confident	91	Very high	46 Å²	46	75.3 Å²	75.3	47%	0.474	38%	0.382	S	S	.	.			trans	-106.6	149.7	-173.7	0	0	0	0	0	112.8
110	R	87.1	Confident	90.9	Very high	116 Å²	116	78 Å²	78	44%	0.438	39%	0.394	S	S	.	.			trans	-94.5	114.2	167	-177.7	174.5	172.4	-169.3	-2	109.3	E37 F112	E37-R110 IonicContact OE1-CZ 2.83Å; E37-R110 IonicContact OE1-NE 2.85Å; E37-R110 IonicContact OE1-NH2 2.9Å; E37-R110 PolarHBondContact OE1-NH2 3.33Å; R110-F112 HydrophobicContact CB-CE1 4.33Å; R110-F112 HydrophobicContact CB-CZ 4.3Å; R110-F112 HydrophobicContact CG-CD1 4.2Å; R110-F112 HydrophobicContact CG-CE1 3.74Å; R110-F112 HydrophobicContact CG-CZ 4.2Å; R110-F112 WeakPolarHBondContact O-CE2 3.24Å
111	A	88	Confident	90.8	Very high	69 Å²	69	77.7 Å²	77.7	57%	0.57	39%	0.393	S	S	*	.			trans	-80.5	132.1	169.2	0	0	0	0	0	109.7	T114	A111-T114 HydrophobicContact CB-CG2 3.55Å
112	F	92	Very high	90.4	Very high	23 Å²	23	77.8 Å²	77.8	10%	0.101	40%	0.395	C	S	.	.	S	Bend	trans	-100.9	146.1	177.9	-51.2	-73.7	0	0	0	110.6	V30 K33 F34 E37 L99 R110 T114	V30-F112 HydrophobicContact CG1-CD2 4.23Å; V30-F112 HydrophobicContact CG1-CE2 4.27Å; K33-F112 HydrophobicContact CB-CB 3.96Å; F34-F112 HydrophobicContact CB-CD1 4.07Å; F34-F112 HydrophobicContact CB-CD2 3.85Å; F34-F112 HydrophobicContact CB-CE1 4.14Å; F34-F112 HydrophobicContact CB-CE2 3.92Å; F34-F112 HydrophobicContact CB-CG 3.92Å; F34-F112 HydrophobicContact CB-CZ 4.07Å; F34-F112 AromaticContact CD2-CD1 3.96Å; F34-F112 HydrophobicContact CD2-CD1 3.96Å; F34-F112 AromaticContact CD2-CE1 3.46Å; F34-F112 HydrophobicContact CD2-CE1 3.46Å; F34-F112 VanDerWaalsContact CD2-CE1 3.46Å; F34-F112 HydrophobicContact CD2-CE2 4.46Å; F34-F112 AromaticContact CD2-CZ 3.75Å; F34-F112 HydrophobicContact CD2-CZ 3.75Å; F34-F112 HydrophobicContact CE2-CE1 4.35Å; F34-F112 HydrophobicContact CG-CE1 4.23Å; F34-F112 HydrophobicContact CG-CZ 4.22Å; E37-F112 WeakPolarHBondContact OE2-CA 3.5Å; L99-F112 HydrophobicContact CD1-CE1 4.09Å; L99-F112 HydrophobicContact CD1-CZ 3.73Å; R110-F112 HydrophobicContact CB-CE1 4.33Å; R110-F112 HydrophobicContact CB-CZ 4.3Å; R110-F112 HydrophobicContact CG-CD1 4.2Å; R110-F112 HydrophobicContact CG-CE1 3.74Å; R110-F112 HydrophobicContact CG-CZ 4.2Å; R110-F112 WeakPolarHBondContact O-CE2 3.24Å; F112-T114 VanDerWaalsContact C-N 3.29Å; F112-T114 PolarHBondContact O-N 3.46Å
113	M	91.7	Very high	89.8	Confident	31 Å²	31	78.2 Å²	78.2	15%	0.153	40%	0.397	C	S	.	.	S	Bend	trans	54	45.5	178.9	-61	-64.5	-73.6	0	0	111.8	K33 Q36 E37 I40 I118 L121	K33-M113 HydrophobicContact CB-CB 4.34Å; K33-M113 HydrophobicContact CB-CG 4.03Å; K33-M113 HydrophobicContact CD-CB 4.46Å; K33-M113 HydrophobicContact CG-CB 4.34Å; K33-M113 HydrophobicContact CG-CG 4.33Å; Q36-M113 HydrophobicContact CG-CE 4.26Å; E37-M113 HydrophobicContact CB-CG 4.17Å; E37-M113 HydrophobicContact CB-SD 3.81Å; E37-M113 HydrophobicContact CG-SD 4.28Å; E37-M113 PolarHBondContact OE2-N 3.14Å; I40-M113 HydrophobicContact CD1-CE 4.34Å; M113-I118 HydrophobicContact CB-CD1 4.3Å; M113-I118 HydrophobicContact CB-CG1 4.37Å; M113-I118 HydrophobicContact CE-CD1 4.39Å; M113-I118 HydrophobicContact CE-CG1 3.9Å; M113-I118 VanDerWaalsContact O-CD1 3.28Å; M113-I118 WeakPolarHBondContact O-CD1 3.39Å; M113-I118 HydrophobicContact SD-CG1 4.5Å; M113-L121 HydrophobicContact SD-CD1 4.22Å
114	T	91.3	Very high	88.7	Confident	46 Å²	46	76.5 Å²	76.5	28%	0.282	39%	0.393	S	S	.	.			trans	-67.2	164.2	171	66.1	0	0	0	0	110.6	A111 F112 E116 R117 I118	A111-T114 HydrophobicContact CB-CG2 3.55Å; F112-T114 VanDerWaalsContact C-N 3.29Å; F112-T114 PolarHBondContact O-N 3.46Å; T114-E116 VanDerWaalsContact C-N 3.26Å; T114-E116 PolarHBondContact O-N 2.97Å; T114-R117 PolarHBondContact O-N 2.03Å; T114-R117 WeakPolarHBondContact OG1-CB 3.17Å; T114-R117 PolarHBondContact OG1-N 3.25Å; T114-I118 WeakPolarHBondContact O-CB 3.04Å; T114-I118 VanDerWaalsContact O-CG1 3.22Å; T114-I118 WeakPolarHBondContact O-CG1 3.39Å; T114-I118 PolarHBondContact O-N 3.33Å
115	K	90.5	Very high	88.5	Confident	177 Å²	177	79.9 Å²	79.9	77%	0.77	41%	0.412	S	S	*	.	H	α-helix	trans	-60.3	-40.9	180	-69.6	-178.7	-179.7	177.1	0	111.5	R119	K115-R119 WeakPolarHBondContact O-CB 3.29Å; K115-R119 PolarHBondContact O-N 3.01Å
116	E	92.6	Very high	88.4	Confident	137 Å²	137	77.9 Å²	77.9	64%	0.64	41%	0.406	S	S	*	.	H	α-helix	trans	-65.2	-46	179.1	-60.3	67.6	-142.8	0	0	110	T114 R119 E120	T114-E116 VanDerWaalsContact C-N 3.26Å; T114-E116 PolarHBondContact O-N 2.97Å; E116-R119 WeakPolarHBondContact O-CB 3.4Å; E116-R119 PolarHBondContact O-N 3.39Å; E116-E120 PolarHBondContact O-N 3.21Å
117	R	91.1	Very high	88.1	Confident	57 Å²	57	78.2 Å²	78.2	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-65.9	-43.7	178.1	-173.1	56.3	172.1	167.2	2.2	111.9	E37 S41 T114 R119 E120 L121	E37-R117 HydrophobicContact CG-CG 4.4Å; E37-R117 IonicContact OE1-NE 3.9Å; S41-R117 PolarHBondContact OG-NH2 3.07Å; T114-R117 PolarHBondContact O-N 2.03Å; T114-R117 WeakPolarHBondContact OG1-CB 3.17Å; T114-R117 PolarHBondContact OG1-N 3.25Å; R117-R119 PolarHBondContact O-N 3.25Å; R117-E120 WeakPolarHBondContact CD-OE2 3.44Å; R117-E120 IonicContact CZ-OE2 3.74Å; R117-E120 IonicContact NH1-OE1 3.08Å; R117-E120 PolarHBondContact NH1-OE1 3.22Å; R117-E120 IonicContact NH1-OE2 2.87Å; R117-E120 PolarHBondContact NH1-OE2 2.91Å; R117-E120 WeakPolarHBondContact O-CB 3.45Å; R117-E120 PolarHBondContact O-N 3.16Å; R117-L121 HydrophobicContact CG-CD1 4.24Å; R117-L121 HydrophobicContact CG-CG 4.44Å; R117-L121 VanDerWaalsContact O-CG 3.27Å; R117-L121 WeakPolarHBondContact O-CG 3.44Å; R117-L121 PolarHBondContact O-N 3.45Å
118	I	90.5	Very high	88	Confident	69 Å²	69	80.8 Å²	80.8	35%	0.354	41%	0.407	S	S	.	.	H	α-helix	trans	-58.9	-40.6	175.3	-70.1	165.7	0	0	0	110.4	M113 T114 L121 C122	M113-I118 HydrophobicContact CB-CD1 4.3Å; M113-I118 HydrophobicContact CB-CG1 4.37Å; M113-I118 HydrophobicContact CE-CD1 4.39Å; M113-I118 HydrophobicContact CE-CG1 3.9Å; M113-I118 VanDerWaalsContact O-CD1 3.28Å; M113-I118 WeakPolarHBondContact O-CD1 3.39Å; M113-I118 HydrophobicContact SD-CG1 4.5Å; T114-I118 WeakPolarHBondContact O-CB 3.04Å; T114-I118 VanDerWaalsContact O-CG1 3.22Å; T114-I118 WeakPolarHBondContact O-CG1 3.39Å; T114-I118 PolarHBondContact O-N 3.33Å; I118-L121 PolarHBondContact O-N 3.08Å; I118-C122 VanDerWaalsContact O-CB 3.24Å; I118-C122 WeakPolarHBondContact O-CB 3.43Å; I118-C122 PolarHBondContact O-N 2.93Å; I118-C122 PolarHBondContact O-SG 3.15Å
119	R	90.4	Very high	87.9	Confident	172 Å²	172	78.9 Å²	78.9	65%	0.649	39%	0.391	S	S	*	.	H	α-helix	trans	-62.5	-47.6	177.2	-175.6	178.3	-178.5	160.6	1.9	111.4	K115 E116 R117 L121 C122 E123	K115-R119 WeakPolarHBondContact O-CB 3.29Å; K115-R119 PolarHBondContact O-N 3.01Å; E116-R119 WeakPolarHBondContact O-CB 3.4Å; E116-R119 PolarHBondContact O-N 3.39Å; R117-R119 PolarHBondContact O-N 3.25Å; R119-L121 PolarHBondContact O-N 3.17Å; R119-C122 CarbonylContact O-C 3.56Å; R119-C122 WeakPolarHBondContact O-CA 3.36Å; R119-C122 WeakPolarHBondContact O-CB 3.03Å; R119-C122 PolarHBondContact O-N 3.01Å; R119-C122 VanDerWaalsContact O-N 3.1Å; R119-E123 WeakPolarHBondContact CG-OE1 3.48Å; R119-E123 IonicContact CZ-OE1 3.98Å; R119-E123 IonicContact NE-OE1 3.76Å; R119-E123 PolarHBondContact NE-OE1 3.06Å; R119-E123 VanDerWaalsContact NE-OE1 3.08Å; R119-E123 IonicContact NH2-OE1 3.96Å; R119-E123 WeakPolarHBondContact O-CG 3.45Å; R119-E123 PolarHBondContact O-N 3.14Å
120	E	91	Very high	88	Confident	101 Å²	101	81.1 Å²	81.1	47%	0.472	39%	0.385	S	S	.	.	H	α-helix	trans	-57.5	-48.9	175.3	-171.1	-168.7	164.4	0	0	111.3	E116 R117 C122 E123 L124	E116-E120 PolarHBondContact O-N 3.21Å; R117-E120 WeakPolarHBondContact CD-OE2 3.44Å; R117-E120 IonicContact CZ-OE2 3.74Å; R117-E120 IonicContact NH1-OE1 3.08Å; R117-E120 PolarHBondContact NH1-OE1 3.22Å; R117-E120 IonicContact NH1-OE2 2.87Å; R117-E120 PolarHBondContact NH1-OE2 2.91Å; R117-E120 WeakPolarHBondContact O-CB 3.45Å; R117-E120 PolarHBondContact O-N 3.16Å; E120-C122 PolarHBondContact O-N 3.39Å; E120-E123 PolarHBondContact O-N 3.26Å; E120-L124 PolarHBondContact O-N 3.14Å; E120-L124 VanDerWaalsContact O-N 3.13Å
121	L	89.4	Confident	88.1	Confident	4 Å²	4	78.6 Å²	78.6	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-28.9	176.9	-62.8	178.8	0	0	0	112.5	E37 I40 W48 M113 R117 I118 R119 E123 L124	E37-L121 HydrophobicContact CG-CD1 4.43Å; I40-L121 HydrophobicContact CB-CD1 4.29Å; I40-L121 HydrophobicContact CG2-CB 4.08Å; I40-L121 HydrophobicContact CG2-CD1 3.8Å; I40-L121 HydrophobicContact CG2-CD2 4.05Å; I40-L121 HydrophobicContact CG2-CG 4.17Å; W48-L121 PolarHBondContact NE1-O 3.21Å; M113-L121 HydrophobicContact SD-CD1 4.22Å; R117-L121 HydrophobicContact CG-CD1 4.24Å; R117-L121 HydrophobicContact CG-CG 4.44Å; R117-L121 VanDerWaalsContact O-CG 3.27Å; R117-L121 WeakPolarHBondContact O-CG 3.44Å; R117-L121 PolarHBondContact O-N 3.45Å; I118-L121 PolarHBondContact O-N 3.08Å; R119-L121 PolarHBondContact O-N 3.17Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-L124 HydrophobicContact CD2-CD1 3.72Å
122	C	85.3	Confident	88.1	Confident	36 Å²	36	79.4 Å²	79.4	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-75.9	-21.6	174	-77.5	0	0	0	0	113.5	R52 R56 I118 R119 E120	R52-C122 PolarHBondContact NE-O 3.45Å; R52-C122 PolarHBondContact NH2-O 3.47Å; R56-C122 PolarHBondContact NH2-O 3.21Å; I118-C122 VanDerWaalsContact O-CB 3.24Å; I118-C122 WeakPolarHBondContact O-CB 3.43Å; I118-C122 PolarHBondContact O-N 2.93Å; I118-C122 PolarHBondContact O-SG 3.15Å; R119-C122 CarbonylContact O-C 3.56Å; R119-C122 WeakPolarHBondContact O-CA 3.36Å; R119-C122 WeakPolarHBondContact O-CB 3.03Å; R119-C122 PolarHBondContact O-N 3.01Å; R119-C122 VanDerWaalsContact O-N 3.1Å; E120-C122 PolarHBondContact O-N 3.39Å
123	E	81.2	Confident	87.8	Confident	121 Å²	121	84.1 Å²	84.1	57%	0.565	39%	0.389	S	S	*	.	H	α-helix	trans	-90.4	-16.9	179.2	-73.4	176.1	-171.1	0	0	112.5	R56 R119 E120 L121	R56-E123 PolarHBondContact NH2-O 3.46Å; R119-E123 WeakPolarHBondContact CG-OE1 3.48Å; R119-E123 IonicContact CZ-OE1 3.98Å; R119-E123 IonicContact NE-OE1 3.76Å; R119-E123 PolarHBondContact NE-OE1 3.06Å; R119-E123 VanDerWaalsContact NE-OE1 3.08Å; R119-E123 IonicContact NH2-OE1 3.96Å; R119-E123 WeakPolarHBondContact O-CG 3.45Å; R119-E123 PolarHBondContact O-N 3.14Å; E120-E123 PolarHBondContact O-N 3.26Å; L121-E123 VanDerWaalsContact C-N 3.34Å
124	L	68.2	Low	87.4	Confident	58 Å²	58	88.9 Å²	88.9	30%	0.304	41%	0.41	S	S	.	.			trans	-50.2	0	161.5	-61	178.8	0	0	0	111.8	K49 R56 E120 L121	K49-L124 HydrophobicContact CG-CB 4.03Å; R56-L124 PolarHBondContact NH2-OXT 2.97Å; E120-L124 PolarHBondContact O-N 3.14Å; E120-L124 VanDerWaalsContact O-N 3.13Å; L121-L124 HydrophobicContact CD2-CD1 3.72Å

Retrieved 124 of 124 residues in 191.6 ms (Link to these results)

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