G4VHY6_SCHMA Loading...

Protein BUD31 homolog

AlphaFold DB , UniProt , Accession G4VHY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 aa.

						>G4VHY6_SCHMA|G4VHY6
MAPYRRSKKPPPEGWELIEPTIEELNRKMREAETDPHEGKRKVEAEWPIFRIHHKRSRFIYDLYYKRKAISKELYEFCIKEKIADANLIAKWKKQGYENLCCLRCIQSRDTNFGTNCVCRVPKSKLEEGKVVECQSCGCRGCSG
					

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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	75.2	Confident	80	Confident	92 Å²	92	100.1 Å²	100.1	45%	0.453	48%	0.483	S	S	.	.				0	149.6	0	-64.4	105.2	73.2	0	0	107.5	I49 F50 H53	M1-I49 HydrophobicContact CB-CG2 4.19Å; M1-I49 HydrophobicContact CE-CG2 4.05Å; M1-F50 VanDerWaalsContact CE-CA 3.44Å; M1-F50 HydrophobicContact CE-CB 4.13Å; M1-F50 HydrophobicContact CE-CD1 3.37Å; M1-F50 HydrophobicContact CE-CD2 4.18Å; M1-F50 HydrophobicContact CE-CE1 3.59Å; M1-F50 HydrophobicContact CE-CE2 4.35Å; M1-F50 HydrophobicContact CE-CG 3.66Å; M1-F50 HydrophobicContact CE-CZ 4.04Å; M1-F50 HydrophobicContact SD-CD1 4.05Å; M1-F50 HydrophobicContact SD-CE1 3.6Å; M1-F50 VanDerWaalsContact SD-CE1 3.6Å; M1-F50 HydrophobicContact SD-CZ 3.82Å; M1-H53 HydrophobicContact CB-CB 4.42Å; M1-H53 HydrophobicContact CE-CB 3.31Å; M1-H53 HydrophobicContact CG-CB 4.17Å; M1-H53 VanDerWaalsContact CG-CD2 3.48Å; M1-H53 WeakPolarHBondContact CG-CD2 3.38Å
2	A	79.1	Confident	81.2	Confident	57 Å²	57	93.3 Å²	93.3	47%	0.471	45%	0.453	S	S	.	.			trans	-138.9	162.2	-176	0	0	0	0	0	110.9	Y4 R56	A2-Y4 PolarHBondContact O-N 3.46Å; A2-R56 PolarHBondContact O-NH1 2.91Å; A2-R56 PolarHBondContact O-NH2 3.37Å
3	P	79.7	Confident	82.3	Confident	24 Å²	24	99.6 Å²	99.6	16%	0.156	48%	0.481	C	S	.	.			trans	-52.1	136	163.8	-26.1	30.2	0	0	0	109.9	N26 M29 R30 E33	P3-N26 WeakPolarHBondContact CA-OD1 3.36Å; P3-N26 WeakPolarHBondContact CB-OD1 3.32Å; P3-M29 HydrophobicContact CB-CG 4.5Å; P3-M29 HydrophobicContact CG-CB 4.44Å; P3-M29 HydrophobicContact CG-CG 3.94Å; P3-R30 HydrophobicContact CB-CG 3.89Å; P3-R30 HydrophobicContact CG-CG 3.64Å; P3-E33 WeakPolarHBondContact CD-OE1 3.4Å; P3-E33 WeakPolarHBondContact CD-OE2 3.29Å; P3-E33 WeakPolarHBondContact CG-OE2 3.46Å
4	Y	80	Confident	83.3	Confident	23 Å²	23	93.3 Å²	93.3	9%	0.09	46%	0.455	C	S	.	.			trans	-66.3	135.8	168.2	161.8	-115.9	0	0	0	109	A2 R6 S7 W15 I22 N26 E81 I83	A2-Y4 PolarHBondContact O-N 3.46Å; Y4-R6 WeakPolarHBondContact OH-CA 3.29Å; Y4-S7 PolarHBondContact OH-N 3.47Å; Y4-W15 HydrophobicContact CE1-CH2 4.31Å; Y4-I22 HydrophobicContact CD1-CG2 4.34Å; Y4-N26 PolarHBondContact N-OD1 3.34Å; Y4-N26 PolarHBondContact O-ND2 2.87Å; Y4-N26 PolarHBondContact O-OD1 3.32Å; Y4-E81 HydrophobicContact CD2-CB 4.39Å; Y4-E81 WeakPolarHBondContact CD2-O 3.34Å; Y4-E81 HydrophobicContact CE2-CB 3.75Å; Y4-E81 HydrophobicContact CE2-CG 4.41Å; Y4-I83 HydrophobicContact CD1-CD1 4.18Å; Y4-I83 HydrophobicContact CD1-CG1 4.04Å; Y4-I83 HydrophobicContact CD2-CD1 4.25Å; Y4-I83 HydrophobicContact CD2-CG1 3.63Å; Y4-I83 HydrophobicContact CE1-CD1 3.9Å; Y4-I83 HydrophobicContact CE1-CG1 4.21Å; Y4-I83 HydrophobicContact CE2-CD1 4.02Å; Y4-I83 HydrophobicContact CE2-CG1 3.87Å; Y4-I83 HydrophobicContact CG-CD1 4.32Å; Y4-I83 HydrophobicContact CG-CG1 3.72Å
5	R	80.2	Confident	84.2	Confident	216 Å²	216	87.8 Å²	87.8	82%	0.815	43%	0.428	S	S	*	.			trans	-106	124.1	172.2	-66.6	-176.5	179.6	-175.9	-1	107.7	S7	R5-S7 PolarHBondContact O-N 3.38Å
6	R	73.8	Confident	84.9	Confident	151 Å²	151	89.8 Å²	89.8	57%	0.57	44%	0.436	S	S	*	.			trans	-54.8	127.2	-177.8	-165.6	174.7	-175.9	138.9	8.5	110.4	Y4 E19 E23	Y4-R6 WeakPolarHBondContact OH-CA 3.29Å; R6-E19 IonicContact CZ-OE1 3.27Å; R6-E19 IonicContact NH1-OE1 3.22Å; R6-E19 PolarHBondContact NH1-OE1 3.45Å; R6-E19 IonicContact NH2-OE1 3.99Å; R6-E19 PolarHBondContact NH2-OE1 3.45Å; R6-E23 IonicContact NH1-OE1 3.2Å
7	S	77.9	Confident	85.5	Confident	30 Å²	30	91.5 Å²	91.5	21%	0.21	45%	0.447	C	S	.	.			trans	-61.4	153.6	172.5	-156.2	0	0	0	0	110.8	Y4 R5 K9 E81	Y4-S7 PolarHBondContact OH-N 3.47Å; R5-S7 PolarHBondContact O-N 3.38Å; S7-K9 PolarHBondContact OG-N 3.08Å; S7-E81 VanDerWaalsContact CB-CD 3.44Å; S7-E81 WeakPolarHBondContact CB-OE1 3.22Å; S7-E81 VanDerWaalsContact CB-OE2 3.32Å; S7-E81 WeakPolarHBondContact CB-OE2 3.48Å; S7-E81 PolarHBondContact OG-OE1 3.27Å; S7-E81 PolarHBondContact OG-OE2 3.22Å
8	K	77.5	Confident	86.2	Confident	217 Å²	217	86.5 Å²	86.5	94%	0.943	42%	0.422	S	S	*	.	S	Bend	trans	-73.1	-18	166.7	-68.5	-172.7	178.6	-175.9	0	112.2
9	K	82.6	Confident	86.7	Confident	131 Å²	131	84 Å²	84	57%	0.57	41%	0.41	S	S	*	.	S	Bend	trans	-73.9	139.7	179.4	-67.9	-174.6	176.2	-173	0	110.1	S7	S7-K9 PolarHBondContact OG-N 3.08Å
10	P	85	Confident	87.2	Confident	113 Å²	113	84.1 Å²	84.1	73%	0.734	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-59.1	139.2	172.2	25.9	-32.7	0	0	0	108.9
11	P	89	Confident	87.7	Confident	47 Å²	47	82.6 Å²	82.6	31%	0.305	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-70.9	151.9	178.4	32.1	-35.2	0	0	0	110.3	W15 F77	P11-W15 HydrophobicContact CB-CB 3.56Å; P11-W15 HydrophobicContact CB-CD2 3.68Å; P11-W15 HydrophobicContact CB-CE3 4.33Å; P11-W15 HydrophobicContact CB-CG 3.27Å; P11-W15 HydrophobicContact CG-CB 3.97Å; P11-W15 VanDerWaalsContact CG-CD1 3.41Å; P11-W15 HydrophobicContact CG-CD2 4.38Å; P11-W15 HydrophobicContact CG-CG 3.64Å; P11-F77 HydrophobicContact CB-CE1 4.45Å; P11-F77 HydrophobicContact CB-CZ 4.36Å
12	P	94.6	Very high	88.7	Confident	19 Å²	19	78.4 Å²	78.4	12%	0.123	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-64.8	169.1	175.2	-19.9	32.6	0	0	0	113	W15 E73 F77	P12-W15 VanDerWaalsContact O-CB 3.29Å; P12-W15 WeakPolarHBondContact O-CB 3.36Å; P12-W15 PolarHBondContact O-N 3.43Å; P12-E73 HydrophobicContact CB-CG 4.03Å; P12-E73 HydrophobicContact CG-CG 4.16Å; P12-F77 HydrophobicContact CG-CB 3.71Å; P12-F77 HydrophobicContact CG-CD1 4.41Å; P12-F77 HydrophobicContact CG-CD2 4.04Å; P12-F77 HydrophobicContact CG-CG 3.81Å
13	E	95.9	Very high	89.5	Confident	175 Å²	175	80.7 Å²	80.7	82%	0.818	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	139.4	173	-172.2	-178.7	176	0	0	112.1	W15	E13-W15 VanDerWaalsContact C-N 3.33Å
14	G	96.2	Very high	90.4	Very high	11 Å²	11	82.8 Å²	82.8	11%	0.113	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	2	-178.9	0	0	0	0	0	114.2	E16 L17 L74	G14-E16 VanDerWaalsContact C-N 3.28Å; G14-E16 VanDerWaalsContact CA-OE1 3.29Å; G14-E16 WeakPolarHBondContact CA-OE1 3.33Å; G14-E16 PolarHBondContact N-OE1 3.43Å; G14-E16 PolarHBondContact O-N 3.3Å; G14-L17 VanDerWaalsContact O-CB 3.3Å; G14-L17 WeakPolarHBondContact O-CB 3.33Å; G14-L17 PolarHBondContact O-N 3.5Å; G14-L17 VanDerWaalsContact O-N 3.17Å; G14-L74 VanDerWaalsContact C-CD2 3.47Å; G14-L74 WeakPolarHBondContact O-CD2 3.28Å
15	W	96.2	Very high	91.2	Very high	11 Å²	11	82 Å²	82	4%	0.042	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-60.1	-39	177.9	172.3	-103.1	0	0	0	112.6	Y4 P11 P12 E13 L17 I18 E19 I22 L74 F77 I83	Y4-W15 HydrophobicContact CE1-CH2 4.31Å; P11-W15 HydrophobicContact CB-CB 3.56Å; P11-W15 HydrophobicContact CB-CD2 3.68Å; P11-W15 HydrophobicContact CB-CE3 4.33Å; P11-W15 HydrophobicContact CB-CG 3.27Å; P11-W15 HydrophobicContact CG-CB 3.97Å; P11-W15 VanDerWaalsContact CG-CD1 3.41Å; P11-W15 HydrophobicContact CG-CD2 4.38Å; P11-W15 HydrophobicContact CG-CG 3.64Å; P12-W15 VanDerWaalsContact O-CB 3.29Å; P12-W15 WeakPolarHBondContact O-CB 3.36Å; P12-W15 PolarHBondContact O-N 3.43Å; E13-W15 VanDerWaalsContact C-N 3.33Å; W15-L17 PolarHBondContact O-N 3.27Å; W15-L17 VanDerWaalsContact O-N 3.11Å; W15-I18 HydrophobicContact CD2-CG1 4.44Å; W15-I18 HydrophobicContact CE3-CD1 3.75Å; W15-I18 HydrophobicContact CE3-CG1 3.88Å; W15-I18 HydrophobicContact CZ3-CD1 3.78Å; W15-I18 HydrophobicContact CZ3-CG1 4.14Å; W15-I18 VanDerWaalsContact O-CG1 3.28Å; W15-I18 WeakPolarHBondContact O-CG1 3.45Å; W15-I18 PolarHBondContact O-N 3.33Å; W15-E19 HydrophobicContact CD2-CB 4.41Å; W15-E19 HydrophobicContact CG-CB 4.47Å; W15-E19 HydrophobicContact CZ2-CB 4.18Å; W15-E19 HydrophobicContact CZ2-CG 4.07Å; W15-E19 PolarHBondContact NE1-OE1 3.41Å; W15-E19 WeakPolarHBondContact O-CB 2.83Å; W15-E19 PolarHBondContact O-N 2.86Å; W15-I22 HydrophobicContact CH2-CB 4.47Å; W15-I22 HydrophobicContact CH2-CG2 4.17Å; W15-L74 HydrophobicContact CB-CD1 4.35Å; W15-L74 HydrophobicContact CE3-CD1 3.93Å; W15-F77 HydrophobicContact CE3-CD1 4.33Å; W15-F77 AromaticContact CE3-CE1 3.98Å; W15-F77 HydrophobicContact CE3-CE1 3.98Å; W15-F77 HydrophobicContact CZ3-CD1 4.32Å; W15-F77 AromaticContact CZ3-CE1 3.89Å; W15-F77 HydrophobicContact CZ3-CE1 3.89Å; W15-I83 HydrophobicContact CH2-CD1 3.67Å; W15-I83 HydrophobicContact CZ3-CD1 3.72Å
16	E	95.7	Very high	91.9	Very high	119 Å²	119	72.3 Å²	72.3	56%	0.556	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-55.8	-27.3	176.6	64.6	-73.1	166.1	0	0	113	G14 I18 P20	G14-E16 VanDerWaalsContact C-N 3.28Å; G14-E16 VanDerWaalsContact CA-OE1 3.29Å; G14-E16 WeakPolarHBondContact CA-OE1 3.33Å; G14-E16 PolarHBondContact N-OE1 3.43Å; G14-E16 PolarHBondContact O-N 3.3Å; E16-I18 VanDerWaalsContact C-N 3.3Å; E16-I18 PolarHBondContact O-N 2.87Å; E16-P20 WeakPolarHBondContact O-CD 3.33Å
17	L	95.7	Very high	93	Very high	119 Å²	119	70.1 Å²	70.1	62%	0.623	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-70.3	-27.1	177	-58.5	173.7	0	0	0	112.8	G14 W15	G14-L17 VanDerWaalsContact O-CB 3.3Å; G14-L17 WeakPolarHBondContact O-CB 3.33Å; G14-L17 PolarHBondContact O-N 3.5Å; G14-L17 VanDerWaalsContact O-N 3.17Å; W15-L17 PolarHBondContact O-N 3.27Å; W15-L17 VanDerWaalsContact O-N 3.11Å
18	I	97.3	Very high	93.9	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.01	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-24.1	-174.4	66.7	166.5	0	0	0	113.2	W15 E16 T21 I22 F59 I60 L63 I70 L74	W15-I18 HydrophobicContact CD2-CG1 4.44Å; W15-I18 HydrophobicContact CE3-CD1 3.75Å; W15-I18 HydrophobicContact CE3-CG1 3.88Å; W15-I18 HydrophobicContact CZ3-CD1 3.78Å; W15-I18 HydrophobicContact CZ3-CG1 4.14Å; W15-I18 VanDerWaalsContact O-CG1 3.28Å; W15-I18 WeakPolarHBondContact O-CG1 3.45Å; W15-I18 PolarHBondContact O-N 3.33Å; E16-I18 VanDerWaalsContact C-N 3.3Å; E16-I18 PolarHBondContact O-N 2.87Å; I18-T21 PolarHBondContact O-N 2.87Å; I18-T21 VanDerWaalsContact O-N 3.09Å; I18-I22 HydrophobicContact CD1-CG1 4.5Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 2.89Å; I18-F59 HydrophobicContact CB-CE1 4.07Å; I18-F59 HydrophobicContact CG2-CE1 4.26Å; I18-F59 HydrophobicContact CG2-CZ 4.43Å; I18-I60 HydrophobicContact CD1-CD1 3.93Å; I18-L63 HydrophobicContact CG2-CD1 3.46Å; I18-L63 VanDerWaalsContact CG2-CD1 3.46Å; I18-I70 HydrophobicContact CG2-CG2 3.92Å; I18-L74 HydrophobicContact CD1-CD1 3.95Å; I18-L74 HydrophobicContact CD1-CD2 4.2Å; I18-L74 HydrophobicContact CD1-CG 4.16Å
19	E	95.6	Very high	94.8	Very high	39 Å²	39	62 Å²	62	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-49.9	-50	-174.8	-177.3	171.2	-130.4	0	0	112.6	R6 W15 T21 I22 E23	R6-E19 IonicContact CZ-OE1 3.27Å; R6-E19 IonicContact NH1-OE1 3.22Å; R6-E19 PolarHBondContact NH1-OE1 3.45Å; R6-E19 IonicContact NH2-OE1 3.99Å; R6-E19 PolarHBondContact NH2-OE1 3.45Å; W15-E19 HydrophobicContact CD2-CB 4.41Å; W15-E19 HydrophobicContact CG-CB 4.47Å; W15-E19 HydrophobicContact CZ2-CB 4.18Å; W15-E19 HydrophobicContact CZ2-CG 4.07Å; W15-E19 PolarHBondContact NE1-OE1 3.41Å; W15-E19 WeakPolarHBondContact O-CB 2.83Å; W15-E19 PolarHBondContact O-N 2.86Å; E19-T21 VanDerWaalsContact C-N 3.26Å; E19-T21 PolarHBondContact O-N 2.9Å; E19-I22 PolarHBondContact O-N 3.27Å; E19-E23 HydrophobicContact CG-CG 4.08Å; E19-E23 WeakPolarHBondContact O-CG 3.45Å; E19-E23 PolarHBondContact O-N 3.03Å
20	P	97.7	Very high	95.4	Very high	85 Å²	85	62.2 Å²	62.2	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-59.4	-38	-178	-24.3	34.8	0	0	0	113	E16 E24	E16-P20 WeakPolarHBondContact O-CD 3.33Å; P20-E24 WeakPolarHBondContact O-CB 3.42Å; P20-E24 PolarHBondContact O-N 3.11Å; P20-E24 VanDerWaalsContact O-N 3.09Å
21	T	97.9	Very high	95.9	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.331	30%	0.298	S	S	.	.	H	α-helix	trans	-72.5	-39.3	178.5	-61.1	0	0	0	0	111.2	I18 E19 L25 F59	I18-T21 PolarHBondContact O-N 2.87Å; I18-T21 VanDerWaalsContact O-N 3.09Å; E19-T21 VanDerWaalsContact C-N 3.26Å; E19-T21 PolarHBondContact O-N 2.9Å; T21-L25 HydrophobicContact CG2-CD1 4.03Å; T21-L25 HydrophobicContact CG2-CG 4.5Å; T21-L25 WeakPolarHBondContact O-CB 3.5Å; T21-L25 VanDerWaalsContact O-CG 3.25Å; T21-L25 WeakPolarHBondContact O-CG 3.34Å; T21-L25 PolarHBondContact O-N 3.19Å; T21-F59 HydrophobicContact CG2-CD1 3.85Å; T21-F59 HydrophobicContact CG2-CD2 4.19Å; T21-F59 HydrophobicContact CG2-CE1 3.56Å; T21-F59 HydrophobicContact CG2-CE2 3.93Å; T21-F59 HydrophobicContact CG2-CG 4.14Å; T21-F59 HydrophobicContact CG2-CZ 3.59Å
22	I	96.3	Very high	96.2	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-42.1	177.9	-64.3	-53.4	0	0	0	110.9	Y4 W15 I18 E19 L25 N26 R56 F59 I60 I83	Y4-I22 HydrophobicContact CD1-CG2 4.34Å; W15-I22 HydrophobicContact CH2-CB 4.47Å; W15-I22 HydrophobicContact CH2-CG2 4.17Å; I18-I22 HydrophobicContact CD1-CG1 4.5Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 2.89Å; E19-I22 PolarHBondContact O-N 3.27Å; I22-L25 PolarHBondContact O-N 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.35Å; I22-N26 PolarHBondContact O-N 3.28Å; I22-R56 HydrophobicContact CD1-CG 4.09Å; I22-F59 HydrophobicContact CD1-CD1 3.95Å; I22-F59 HydrophobicContact CD1-CE1 4.21Å; I22-I60 HydrophobicContact CD1-CD1 4.04Å; I22-I60 HydrophobicContact CD1-CG1 4.42Å; I22-I83 HydrophobicContact CD1-CG2 3.7Å; I22-I83 HydrophobicContact CG1-CG2 4.23Å; I22-I83 HydrophobicContact CG2-CG2 3.96Å
23	E	95.7	Very high	96	Very high	106 Å²	106	62.2 Å²	62.2	50%	0.495	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-44.8	176.7	-71.7	-169.4	152.5	0	0	111.8	R6 E19 L25 N26 R27	R6-E23 IonicContact NH1-OE1 3.2Å; E19-E23 HydrophobicContact CG-CG 4.08Å; E19-E23 WeakPolarHBondContact O-CG 3.45Å; E19-E23 PolarHBondContact O-N 3.03Å; E23-L25 PolarHBondContact O-N 3.11Å; E23-N26 CarbonylContact O-C 3.59Å; E23-N26 WeakPolarHBondContact O-CB 3.28Å; E23-N26 PolarHBondContact O-N 3.15Å; E23-N26 VanDerWaalsContact O-N 3.12Å; E23-R27 WeakPolarHBondContact O-CB 3.42Å; E23-R27 PolarHBondContact O-N 3.01Å
24	E	97.6	Very high	95.8	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-43.2	176.9	171.2	55.9	-168.2	0	0	112.3	P20 N26 R27 K28	P20-E24 WeakPolarHBondContact O-CB 3.42Å; P20-E24 PolarHBondContact O-N 3.11Å; P20-E24 VanDerWaalsContact O-N 3.09Å; E24-N26 VanDerWaalsContact C-N 3.28Å; E24-N26 PolarHBondContact O-N 3.02Å; E24-R27 PolarHBondContact O-N 3.14Å; E24-R27 IonicContact OE1-CZ 3.69Å; E24-R27 IonicContact OE1-NH2 3.62Å; E24-R27 PolarHBondContact OE1-NH2 3.46Å; E24-R27 IonicContact OE2-CZ 3.99Å; E24-R27 VanDerWaalsContact OE2-CZ 3.28Å; E24-R27 IonicContact OE2-NE 2.57Å; E24-R27 PolarHBondContact OE2-NE 3.2Å; E24-R27 IonicContact OE2-NH2 3.2Å; E24-R27 PolarHBondContact OE2-NH2 2.89Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 2.83Å; E24-K28 VanDerWaalsContact O-N 3.07Å; E24-K28 WeakPolarHBondContact OE1-CE 3.43Å; E24-K28 IonicContact OE1-NZ 3.9Å; E24-K28 PolarHBondContact OE1-NZ 2.94Å
25	L	97.3	Very high	95.7	Very high	6 Å²	6	62 Å²	62	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-33.1	174.4	-70.4	171.8	0	0	0	112	T21 I22 E23 M29 I52 K55 R56	T21-L25 HydrophobicContact CG2-CD1 4.03Å; T21-L25 HydrophobicContact CG2-CG 4.5Å; T21-L25 WeakPolarHBondContact O-CB 3.5Å; T21-L25 VanDerWaalsContact O-CG 3.25Å; T21-L25 WeakPolarHBondContact O-CG 3.34Å; T21-L25 PolarHBondContact O-N 3.19Å; I22-L25 PolarHBondContact O-N 3.28Å; E23-L25 PolarHBondContact O-N 3.11Å; L25-M29 PolarHBondContact O-N 2.87Å; L25-I52 HydrophobicContact CB-CG2 4.47Å; L25-I52 HydrophobicContact CD2-CG2 4.49Å; L25-I52 WeakPolarHBondContact O-CG2 3.34Å; L25-K55 HydrophobicContact CD1-CG 4.49Å; L25-K55 HydrophobicContact CD2-CB 4.37Å; L25-K55 HydrophobicContact CD2-CD 3.73Å; L25-K55 HydrophobicContact CD2-CG 3.92Å; L25-R56 HydrophobicContact CD1-CB 4Å; L25-R56 HydrophobicContact CD1-CG 4.21Å
26	N	95.8	Very high	95.4	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-38.8	178.2	-159.8	44.4	0	0	0	112.1	P3 Y4 I22 E23 E24 M29 R30	P3-N26 WeakPolarHBondContact CA-OD1 3.36Å; P3-N26 WeakPolarHBondContact CB-OD1 3.32Å; Y4-N26 PolarHBondContact N-OD1 3.34Å; Y4-N26 PolarHBondContact O-ND2 2.87Å; Y4-N26 PolarHBondContact O-OD1 3.32Å; I22-N26 WeakPolarHBondContact O-CB 3.35Å; I22-N26 PolarHBondContact O-N 3.28Å; E23-N26 CarbonylContact O-C 3.59Å; E23-N26 WeakPolarHBondContact O-CB 3.28Å; E23-N26 PolarHBondContact O-N 3.15Å; E23-N26 VanDerWaalsContact O-N 3.12Å; E24-N26 VanDerWaalsContact C-N 3.28Å; E24-N26 PolarHBondContact O-N 3.02Å; N26-M29 WeakPolarHBondContact O-CB 3.39Å; N26-M29 PolarHBondContact O-N 3.46Å; N26-R30 PolarHBondContact ND2-NH2 2.87Å; N26-R30 WeakPolarHBondContact O-CG 3.37Å; N26-R30 PolarHBondContact O-N 3.48Å; N26-R30 VanDerWaalsContact O-N 3.1Å
27	R	96.4	Very high	95.1	Very high	105 Å²	105	64.9 Å²	64.9	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-51	171.6	-176.2	-172.6	65.2	82.7	0.1	110.5	E23 E24 M29 R30 E31	E23-R27 WeakPolarHBondContact O-CB 3.42Å; E23-R27 PolarHBondContact O-N 3.01Å; E24-R27 PolarHBondContact O-N 3.14Å; E24-R27 IonicContact OE1-CZ 3.69Å; E24-R27 IonicContact OE1-NH2 3.62Å; E24-R27 PolarHBondContact OE1-NH2 3.46Å; E24-R27 IonicContact OE2-CZ 3.99Å; E24-R27 VanDerWaalsContact OE2-CZ 3.28Å; E24-R27 IonicContact OE2-NE 2.57Å; E24-R27 PolarHBondContact OE2-NE 3.2Å; E24-R27 IonicContact OE2-NH2 3.2Å; E24-R27 PolarHBondContact OE2-NH2 2.89Å; R27-M29 PolarHBondContact O-N 3.46Å; R27-R30 WeakPolarHBondContact O-CB 3.12Å; R27-R30 PolarHBondContact O-N 3.06Å; R27-E31 IonicContact CZ-OE1 2.77Å; R27-E31 IonicContact CZ-OE2 2.82Å; R27-E31 IonicContact NH1-OE1 3.69Å; R27-E31 PolarHBondContact NH1-OE1 2.82Å; R27-E31 IonicContact NH1-OE2 2.74Å; R27-E31 PolarHBondContact NH1-OE2 3.42Å; R27-E31 PolarHBondContact O-N 3.44Å
28	K	97.2	Very high	94.9	Very high	78 Å²	78	68 Å²	68	34%	0.339	34%	0.337	S	S	.	.	H	α-helix	trans	-57.4	-36.5	174.9	-77.3	173.7	162	146.2	0	113.1	E24 E31 A32 I52	E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 2.83Å; E24-K28 VanDerWaalsContact O-N 3.07Å; E24-K28 WeakPolarHBondContact OE1-CE 3.43Å; E24-K28 IonicContact OE1-NZ 3.9Å; E24-K28 PolarHBondContact OE1-NZ 2.94Å; K28-E31 PolarHBondContact O-N 2.84Å; K28-A32 WeakPolarHBondContact O-CB 3.3Å; K28-A32 PolarHBondContact O-N 3.11Å; K28-I52 HydrophobicContact CB-CD1 3.88Å; K28-I52 HydrophobicContact CB-CG1 4.39Å; K28-I52 WeakPolarHBondContact O-CD1 3.3Å
29	M	95.8	Very high	94.5	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-44.6	176.1	-172.9	67	83.5	0	0	111.2	P3 L25 N26 R27 A32 E33 I49 I52 H53	P3-M29 HydrophobicContact CB-CG 4.5Å; P3-M29 HydrophobicContact CG-CB 4.44Å; P3-M29 HydrophobicContact CG-CG 3.94Å; L25-M29 PolarHBondContact O-N 2.87Å; N26-M29 WeakPolarHBondContact O-CB 3.39Å; N26-M29 PolarHBondContact O-N 3.46Å; R27-M29 PolarHBondContact O-N 3.46Å; M29-A32 PolarHBondContact O-N 3.17Å; M29-E33 WeakPolarHBondContact O-CG 3.4Å; M29-E33 PolarHBondContact O-N 2.82Å; M29-I49 HydrophobicContact CE-CG2 4.45Å; M29-I49 HydrophobicContact SD-CB 4.18Å; M29-I49 HydrophobicContact SD-CG1 4.3Å; M29-I49 HydrophobicContact SD-CG2 3.74Å; M29-I52 HydrophobicContact CB-CG2 4.13Å; M29-I52 HydrophobicContact CE-CB 3.99Å; M29-I52 HydrophobicContact CE-CG2 3.7Å; M29-I52 HydrophobicContact SD-CB 4.4Å; M29-I52 HydrophobicContact SD-CG2 4.3Å; M29-H53 HydrophobicContact CE-CB 4.05Å
30	R	95.1	Very high	94.3	Very high	134 Å²	134	74.4 Å²	74.4	51%	0.506	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-43.4	177.9	-67.3	171.8	-174.9	161.8	0.1	111.4	P3 N26 R27 A32 E33 T34	P3-R30 HydrophobicContact CB-CG 3.89Å; P3-R30 HydrophobicContact CG-CG 3.64Å; N26-R30 PolarHBondContact ND2-NH2 2.87Å; N26-R30 WeakPolarHBondContact O-CG 3.37Å; N26-R30 PolarHBondContact O-N 3.48Å; N26-R30 VanDerWaalsContact O-N 3.1Å; R27-R30 WeakPolarHBondContact O-CB 3.12Å; R27-R30 PolarHBondContact O-N 3.06Å; R30-A32 VanDerWaalsContact C-N 3.34Å; R30-A32 PolarHBondContact O-N 3.19Å; R30-E33 PolarHBondContact O-N 3.45Å; R30-T34 PolarHBondContact O-N 3.46Å; R30-T34 PolarHBondContact O-OG1 3.08Å
31	E	95.5	Very high	93.8	Very high	92 Å²	92	76.1 Å²	76.1	43%	0.43	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-46	176.2	-72.9	168	-176.2	0	0	111.5	R27 K28 E33 T34 D35	R27-E31 IonicContact CZ-OE1 2.77Å; R27-E31 IonicContact CZ-OE2 2.82Å; R27-E31 IonicContact NH1-OE1 3.69Å; R27-E31 PolarHBondContact NH1-OE1 2.82Å; R27-E31 IonicContact NH1-OE2 2.74Å; R27-E31 PolarHBondContact NH1-OE2 3.42Å; R27-E31 PolarHBondContact O-N 3.44Å; K28-E31 PolarHBondContact O-N 2.84Å; E31-E33 VanDerWaalsContact C-N 3.3Å; E31-E33 PolarHBondContact O-N 3.42Å; E31-T34 CarbonylContact O-C 3.57Å; E31-T34 PolarHBondContact O-N 2.74Å; E31-T34 VanDerWaalsContact O-N 3.15Å; E31-T34 PolarHBondContact O-OG1 3.45Å; E31-D35 PolarHBondContact O-N 2.89Å
32	A	94.5	Very high	93.3	Very high	8 Å²	8	82 Å²	82	7%	0.066	41%	0.406	C	S	.	.	H	α-helix	trans	-63.7	-31.9	177.3	0	0	0	0	0	113.5	K28 M29 R30 T34 P48 I49 I52	K28-A32 WeakPolarHBondContact O-CB 3.3Å; K28-A32 PolarHBondContact O-N 3.11Å; M29-A32 PolarHBondContact O-N 3.17Å; R30-A32 VanDerWaalsContact C-N 3.34Å; R30-A32 PolarHBondContact O-N 3.19Å; A32-T34 VanDerWaalsContact C-N 3.31Å; A32-P48 HydrophobicContact CB-CB 3.9Å; A32-I49 HydrophobicContact CB-CG1 3.95Å; A32-I52 HydrophobicContact CB-CD1 3.94Å
33	E	91.8	Very high	92.8	Very high	80 Å²	80	84.6 Å²	84.6	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-72.8	-24.9	175.6	-75.6	-176.6	153.9	0	0	113.1	P3 M29 R30 E31 I49	P3-E33 WeakPolarHBondContact CD-OE1 3.4Å; P3-E33 WeakPolarHBondContact CD-OE2 3.29Å; P3-E33 WeakPolarHBondContact CG-OE2 3.46Å; M29-E33 WeakPolarHBondContact O-CG 3.4Å; M29-E33 PolarHBondContact O-N 2.82Å; R30-E33 PolarHBondContact O-N 3.45Å; E31-E33 VanDerWaalsContact C-N 3.3Å; E31-E33 PolarHBondContact O-N 3.42Å; E33-I49 HydrophobicContact CG-CD1 4.01Å; E33-I49 HydrophobicContact CG-CG1 4.47Å
34	T	91.8	Very high	92.6	Very high	115 Å²	115	81.8 Å²	81.8	71%	0.706	41%	0.408	S	S	*	.	H	α-helix	trans	-100	-5.1	179.2	56.8	0	0	0	0	113.7	R30 E31 A32	R30-T34 PolarHBondContact O-N 3.46Å; R30-T34 PolarHBondContact O-OG1 3.08Å; E31-T34 CarbonylContact O-C 3.57Å; E31-T34 PolarHBondContact O-N 2.74Å; E31-T34 VanDerWaalsContact O-N 3.15Å; E31-T34 PolarHBondContact O-OG1 3.45Å; A32-T34 VanDerWaalsContact C-N 3.31Å
35	D	92.3	Very high	92.3	Very high	67 Å²	67	79.1 Å²	79.1	36%	0.358	40%	0.398	S	S	.	.	S	Bend	trans	-63.8	135.3	-175.6	-169.4	42.9	0	0	0	110.8	E31 H37 K40	E31-D35 PolarHBondContact O-N 2.89Å; D35-H37 PolarHBondContact O-CD2 2.78Å; D35-H37 VanDerWaalsContact O-CD2 3.3Å; D35-H37 PolarHBondContact O-CE1 3.23Å; D35-H37 PolarHBondContact O-N 3.18Å; D35-H37 PolarHBondContact O-NE2 3.41Å; D35-K40 IonicContact OD2-NZ 2.86Å; D35-K40 PolarHBondContact OD2-NZ 3.46Å
36	P	90.7	Very high	92.1	Very high	91 Å²	91	81.9 Å²	81.9	59%	0.591	41%	0.411	S	S	*	.			trans	-58	136.9	174.9	-26.6	35.6	0	0	0	112.5	K40	P36-K40 PolarHBondContact O-NZ 3.25Å
37	H	89.8	Confident	92	Very high	99 Å²	99	82.4 Å²	82.4	46%	0.458	41%	0.412	S	S	.	.			trans	-99.2	6.6	-178.3	-49.2	113.9	0	0	0	112.8	D35 G39 K40 A45	D35-H37 PolarHBondContact O-CD2 2.78Å; D35-H37 VanDerWaalsContact O-CD2 3.3Å; D35-H37 PolarHBondContact O-CE1 3.23Å; D35-H37 PolarHBondContact O-N 3.18Å; D35-H37 PolarHBondContact O-NE2 3.41Å; H37-G39 PolarHBondContact O-N 2.85Å; H37-K40 PolarHBondContact O-N 2.98Å; H37-K40 VanDerWaalsContact O-N 3.11Å; H37-A45 HydrophobicContact CB-CB 4.16Å; H37-A45 WeakPolarHBondContact CD2-CB 3.02Å
38	E	90	Very high	91.9	Very high	184 Å²	184	79.5 Å²	79.5	86%	0.86	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	132.9	-176.9	-168.8	171.3	-161.2	0	0	111.1	K40	E38-K40 PolarHBondContact O-N 2.81Å; E38-K40 VanDerWaalsContact O-N 3.12Å
39	G	90.8	Very high	91.8	Very high	88 Å²	88	77 Å²	77	91%	0.907	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-7.5	-176.2	0	0	0	0	0	115.7	H37	H37-G39 PolarHBondContact O-N 2.85Å
40	K	89.5	Confident	91.8	Very high	87 Å²	87	77.7 Å²	77.7	38%	0.378	40%	0.4	S	S	.	.	S	Bend	trans	-95.1	145.2	179.6	-62.1	173.6	-171.2	152.4	0	110.8	D35 P36 H37 E38 E44	D35-K40 IonicContact OD2-NZ 2.86Å; D35-K40 PolarHBondContact OD2-NZ 3.46Å; P36-K40 PolarHBondContact O-NZ 3.25Å; H37-K40 PolarHBondContact O-N 2.98Å; H37-K40 VanDerWaalsContact O-N 3.11Å; E38-K40 PolarHBondContact O-N 2.81Å; E38-K40 VanDerWaalsContact O-N 3.12Å; K40-E44 HydrophobicContact CB-CB 4.18Å
41	R	88.9	Confident	91.8	Very high	122 Å²	122	77.3 Å²	77.3	46%	0.46	40%	0.398	S	S	.	.			trans	-63.9	149.5	164.1	-62	179.5	-68.5	168.6	-1	109	V43 E44 A45	R41-V43 HydrophobicContact CB-CG2 4.2Å; R41-V43 PolarHBondContact O-N 3.45Å; R41-E44 HydrophobicContact CB-CB 4.42Å; R41-E44 HydrophobicContact CB-CG 4.05Å; R41-E44 WeakPolarHBondContact CB-OE2 3.37Å; R41-E44 IonicContact CZ-OE1 2.66Å; R41-E44 PolarHBondContact N-OE2 3.09Å; R41-E44 IonicContact NE-OE1 2.87Å; R41-E44 PolarHBondContact NE-OE1 3.1Å; R41-E44 IonicContact NE-OE2 2.81Å; R41-E44 IonicContact NH2-OE1 3.61Å; R41-E44 PolarHBondContact NH2-OE1 3.12Å; R41-E44 WeakPolarHBondContact O-CA 3.5Å; R41-E44 WeakPolarHBondContact O-CB 3.47Å; R41-E44 PolarHBondContact O-N 3.02Å; R41-A45 PolarHBondContact O-N 3.09Å; R41-A45 VanDerWaalsContact O-N 3.11Å
42	K	85.6	Confident	91.8	Very high	178 Å²	178	73.9 Å²	73.9	77%	0.774	38%	0.383	S	S	*	.	H	α-helix	trans	-50	-38	177.2	-176.1	177.9	179.6	178.9	0	113.3	A45	K42-A45 WeakPolarHBondContact O-CB 2.98Å
43	V	87	Confident	91.9	Very high	56 Å²	56	74.3 Å²	74.3	34%	0.339	38%	0.384	S	S	.	.	H	α-helix	trans	-72.1	-34.2	177.9	-63.5	0	0	0	0	112.9	R41 E46 W47	R41-V43 HydrophobicContact CB-CG2 4.2Å; R41-V43 PolarHBondContact O-N 3.45Å; V43-E46 PolarHBondContact O-N 3.47Å; V43-E46 VanDerWaalsContact O-N 3.13Å; V43-W47 PolarHBondContact O-N 3.09Å; V43-W47 PolarHBondContact O-NE1 3.01Å
44	E	91.4	Very high	92.1	Very high	47 Å²	47	72.8 Å²	72.8	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-69.6	-36.5	-179.9	-69.6	171.5	161.3	0	0	111.8	K40 R41 E46 W47	K40-E44 HydrophobicContact CB-CB 4.18Å; R41-E44 HydrophobicContact CB-CB 4.42Å; R41-E44 HydrophobicContact CB-CG 4.05Å; R41-E44 WeakPolarHBondContact CB-OE2 3.37Å; R41-E44 IonicContact CZ-OE1 2.66Å; R41-E44 PolarHBondContact N-OE2 3.09Å; R41-E44 IonicContact NE-OE1 2.87Å; R41-E44 PolarHBondContact NE-OE1 3.1Å; R41-E44 IonicContact NE-OE2 2.81Å; R41-E44 IonicContact NH2-OE1 3.61Å; R41-E44 PolarHBondContact NH2-OE1 3.12Å; R41-E44 WeakPolarHBondContact O-CA 3.5Å; R41-E44 WeakPolarHBondContact O-CB 3.47Å; R41-E44 PolarHBondContact O-N 3.02Å; E44-E46 PolarHBondContact O-N 3.35Å; E44-W47 HydrophobicContact CB-CD2 4.34Å; E44-W47 HydrophobicContact CB-CE3 4.45Å; E44-W47 HydrophobicContact CG-CD2 4.21Å; E44-W47 HydrophobicContact CG-CE3 4.26Å; E44-W47 HydrophobicContact CG-CH2 3.67Å; E44-W47 HydrophobicContact CG-CZ2 3.63Å; E44-W47 HydrophobicContact CG-CZ3 4.01Å; E44-W47 WeakPolarHBondContact O-CB 3.01Å; E44-W47 PolarHBondContact O-N 3.38Å; E44-W47 VanDerWaalsContact O-N 3.11Å
45	A	91.7	Very high	92.4	Very high	12 Å²	12	73.2 Å²	73.2	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-53.1	-37.6	168.5	0	0	0	0	0	112.5	H37 R41 K42 P48	H37-A45 HydrophobicContact CB-CB 4.16Å; H37-A45 WeakPolarHBondContact CD2-CB 3.02Å; R41-A45 PolarHBondContact O-N 3.09Å; R41-A45 VanDerWaalsContact O-N 3.11Å; K42-A45 WeakPolarHBondContact O-CB 2.98Å; A45-P48 WeakPolarHBondContact O-CD 3.46Å
46	E	91.7	Very high	92.6	Very high	63 Å²	63	70.2 Å²	70.2	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-82.1	-14.6	179.3	-61.7	-171.4	151.3	0	0	113.6	V43 E44 I49 F50 R104	V43-E46 PolarHBondContact O-N 3.47Å; V43-E46 VanDerWaalsContact O-N 3.13Å; E44-E46 PolarHBondContact O-N 3.35Å; E46-I49 VanDerWaalsContact O-CB 3.31Å; E46-I49 WeakPolarHBondContact O-CB 3.44Å; E46-I49 PolarHBondContact O-N 3.23Å; E46-F50 HydrophobicContact CB-CD2 4.03Å; E46-F50 HydrophobicContact CB-CE2 3.99Å; E46-F50 WeakPolarHBondContact O-CD2 3.46Å; E46-F50 PolarHBondContact O-N 3.36Å; E46-R104 IonicContact OE2-CZ 3.28Å; E46-R104 IonicContact OE2-NH1 3.87Å; E46-R104 PolarHBondContact OE2-NH1 3.31Å; E46-R104 IonicContact OE2-NH2 3.04Å
47	W	94.7	Very high	93	Very high	24 Å²	24	65.9 Å²	65.9	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-44.4	-173.9	-70.8	-2.5	0	0	0	114.2	V43 E44 I49 F50 R51 E133 Q135 C137 G138	V43-W47 PolarHBondContact O-N 3.09Å; V43-W47 PolarHBondContact O-NE1 3.01Å; E44-W47 HydrophobicContact CB-CD2 4.34Å; E44-W47 HydrophobicContact CB-CE3 4.45Å; E44-W47 HydrophobicContact CG-CD2 4.21Å; E44-W47 HydrophobicContact CG-CE3 4.26Å; E44-W47 HydrophobicContact CG-CH2 3.67Å; E44-W47 HydrophobicContact CG-CZ2 3.63Å; E44-W47 HydrophobicContact CG-CZ3 4.01Å; E44-W47 WeakPolarHBondContact O-CB 3.01Å; E44-W47 PolarHBondContact O-N 3.38Å; E44-W47 VanDerWaalsContact O-N 3.11Å; W47-I49 VanDerWaalsContact C-N 3.28Å; W47-I49 PolarHBondContact O-N 2.8Å; W47-F50 PolarHBondContact O-N 2.86Å; W47-R51 VanDerWaalsContact O-CG 3.32Å; W47-R51 WeakPolarHBondContact O-CG 3.47Å; W47-R51 PolarHBondContact O-N 3.2Å; W47-E133 VanDerWaalsContact CH2-CD 3.43Å; W47-E133 HydrophobicContact CH2-CG 3.68Å; W47-E133 VanDerWaalsContact CH2-OE1 3.29Å; W47-E133 WeakPolarHBondContact CH2-OE1 3.22Å; W47-E133 HydrophobicContact CZ2-CG 4.25Å; W47-E133 HydrophobicContact CZ3-CG 4.26Å; W47-Q135 PolarHBondContact NE1-O 3.14Å; W47-C137 VanDerWaalsContact CG-C 3.48Å; W47-G138 VanDerWaalsContact CD2-CA 3.43Å
48	P	94.6	Very high	93.4	Very high	45 Å²	45	63 Å²	63	29%	0.292	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-41.1	175.8	-23.8	35.8	0	0	0	112	A32 A45 F50 R51 I52	A32-P48 HydrophobicContact CB-CB 3.9Å; A45-P48 WeakPolarHBondContact O-CD 3.46Å; P48-F50 PolarHBondContact O-N 3.44Å; P48-R51 PolarHBondContact O-N 3.33Å; P48-I52 WeakPolarHBondContact O-CB 3.46Å; P48-I52 WeakPolarHBondContact O-CD1 3.46Å; P48-I52 VanDerWaalsContact O-CG1 3.22Å; P48-I52 WeakPolarHBondContact O-CG1 3.49Å; P48-I52 PolarHBondContact O-N 3.5Å
49	I	94.7	Very high	93.8	Very high	26 Å²	26	56.4 Å²	56.4	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-46.8	176.4	-62.5	172.9	0	0	0	110.3	M1 M29 A32 E33 E46 W47 H53	M1-I49 HydrophobicContact CB-CG2 4.19Å; M1-I49 HydrophobicContact CE-CG2 4.05Å; M29-I49 HydrophobicContact CE-CG2 4.45Å; M29-I49 HydrophobicContact SD-CB 4.18Å; M29-I49 HydrophobicContact SD-CG1 4.3Å; M29-I49 HydrophobicContact SD-CG2 3.74Å; A32-I49 HydrophobicContact CB-CG1 3.95Å; E33-I49 HydrophobicContact CG-CD1 4.01Å; E33-I49 HydrophobicContact CG-CG1 4.47Å; E46-I49 VanDerWaalsContact O-CB 3.31Å; E46-I49 WeakPolarHBondContact O-CB 3.44Å; E46-I49 PolarHBondContact O-N 3.23Å; W47-I49 VanDerWaalsContact C-N 3.28Å; W47-I49 PolarHBondContact O-N 2.8Å; I49-H53 VanDerWaalsContact O-CB 3.26Å; I49-H53 WeakPolarHBondContact O-CB 3.34Å; I49-H53 PolarHBondContact O-N 2.96Å
50	F	94.8	Very high	94.1	Very high	13 Å²	13	52.2 Å²	52.2	6%	0.057	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-42.9	175.8	-82.2	-82.6	0	0	0	113.6	M1 E46 W47 P48 H53 H54 C102 R104 S136 C137	M1-F50 VanDerWaalsContact CE-CA 3.44Å; M1-F50 HydrophobicContact CE-CB 4.13Å; M1-F50 HydrophobicContact CE-CD1 3.37Å; M1-F50 HydrophobicContact CE-CD2 4.18Å; M1-F50 HydrophobicContact CE-CE1 3.59Å; M1-F50 HydrophobicContact CE-CE2 4.35Å; M1-F50 HydrophobicContact CE-CG 3.66Å; M1-F50 HydrophobicContact CE-CZ 4.04Å; M1-F50 HydrophobicContact SD-CD1 4.05Å; M1-F50 HydrophobicContact SD-CE1 3.6Å; M1-F50 VanDerWaalsContact SD-CE1 3.6Å; M1-F50 HydrophobicContact SD-CZ 3.82Å; E46-F50 HydrophobicContact CB-CD2 4.03Å; E46-F50 HydrophobicContact CB-CE2 3.99Å; E46-F50 WeakPolarHBondContact O-CD2 3.46Å; E46-F50 PolarHBondContact O-N 3.36Å; W47-F50 PolarHBondContact O-N 2.86Å; P48-F50 PolarHBondContact O-N 3.44Å; F50-H53 PolarHBondContact O-N 3.2Å; F50-H54 WeakPolarHBondContact O-CB 3.21Å; F50-H54 PolarHBondContact O-N 3.07Å; F50-C102 HydrophobicContact CD1-CB 3.84Å; F50-C102 HydrophobicContact CE1-CB 4.37Å; F50-R104 HydrophobicContact CE1-CG 4.33Å; F50-R104 HydrophobicContact CZ-CG 4.49Å; F50-S136 VanDerWaalsContact CD2-O 3.32Å; F50-S136 WeakPolarHBondContact CD2-O 3.43Å; F50-C137 HydrophobicContact CB-CB 3.42Å; F50-C137 VanDerWaalsContact CB-CB 3.42Å; F50-C137 HydrophobicContact CD1-CB 4.44Å; F50-C137 HydrophobicContact CG-CB 4Å
51	R	95.3	Very high	94.6	Very high	126 Å²	126	49.4 Å²	49.4	48%	0.475	22%	0.221	S	C	.	.	H	α-helix	trans	-66.4	-42.4	179.8	-69.6	170.5	-178.7	-177.2	-1.4	111.7	W47 P48 H54 K55 C137 G138	W47-R51 VanDerWaalsContact O-CG 3.32Å; W47-R51 WeakPolarHBondContact O-CG 3.47Å; W47-R51 PolarHBondContact O-N 3.2Å; P48-R51 PolarHBondContact O-N 3.33Å; R51-H54 PolarHBondContact O-N 3.38Å; R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 PolarHBondContact O-N 3.04Å; R51-C137 PolarHBondContact NE-O 2.67Å; R51-C137 VanDerWaalsContact NE-O 3.11Å; R51-G138 PolarHBondContact NH2-O 2.89Å
52	I	96.5	Very high	95	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.108	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-44.7	177.6	-65.9	160.8	0	0	0	110.2	L25 K28 M29 A32 P48 H54 K55 R56	L25-I52 HydrophobicContact CB-CG2 4.47Å; L25-I52 HydrophobicContact CD2-CG2 4.49Å; L25-I52 WeakPolarHBondContact O-CG2 3.34Å; K28-I52 HydrophobicContact CB-CD1 3.88Å; K28-I52 HydrophobicContact CB-CG1 4.39Å; K28-I52 WeakPolarHBondContact O-CD1 3.3Å; M29-I52 HydrophobicContact CB-CG2 4.13Å; M29-I52 HydrophobicContact CE-CB 3.99Å; M29-I52 HydrophobicContact CE-CG2 3.7Å; M29-I52 HydrophobicContact SD-CB 4.4Å; M29-I52 HydrophobicContact SD-CG2 4.3Å; A32-I52 HydrophobicContact CB-CD1 3.94Å; P48-I52 WeakPolarHBondContact O-CB 3.46Å; P48-I52 WeakPolarHBondContact O-CD1 3.46Å; P48-I52 VanDerWaalsContact O-CG1 3.22Å; P48-I52 WeakPolarHBondContact O-CG1 3.49Å; P48-I52 PolarHBondContact O-N 3.5Å; I52-H54 PolarHBondContact O-N 3.1Å; I52-K55 PolarHBondContact O-N 3.3Å; I52-R56 WeakPolarHBondContact O-CB 3.48Å; I52-R56 PolarHBondContact O-N 3.46Å
53	H	96.5	Very high	95.6	Very high	17 Å²	17	37.4 Å²	37.4	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-44.3	177	176	-100.1	0	0	0	112.9	M1 M29 I49 F50 S57 D85	M1-H53 HydrophobicContact CB-CB 4.42Å; M1-H53 HydrophobicContact CE-CB 3.31Å; M1-H53 HydrophobicContact CG-CB 4.17Å; M1-H53 VanDerWaalsContact CG-CD2 3.48Å; M1-H53 WeakPolarHBondContact CG-CD2 3.38Å; M29-H53 HydrophobicContact CE-CB 4.05Å; I49-H53 VanDerWaalsContact O-CB 3.26Å; I49-H53 WeakPolarHBondContact O-CB 3.34Å; I49-H53 PolarHBondContact O-N 2.96Å; F50-H53 PolarHBondContact O-N 3.2Å; H53-S57 WeakPolarHBondContact O-CB 3.34Å; H53-S57 PolarHBondContact O-N 3.47Å; H53-S57 PolarHBondContact O-OG 3.42Å; H53-S57 VanDerWaalsContact O-OG 3.07Å; H53-D85 VanDerWaalsContact CE1-CB 3.47Å; H53-D85 WeakPolarHBondContact CE1-CB 3.43Å; H53-D85 IonicContact CE1-OD2 2.9Å; H53-D85 PolarHBondContact CE1-OD2 2.99Å; H53-D85 IonicContact NE2-OD2 2.87Å
54	H	96.3	Very high	96.2	Very high	47 Å²	47	37.1 Å²	37.1	22%	0.218	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-52.8	172.4	174	83.6	0	0	0	110.7	F50 R51 I52 R56 S57 R58 W92 L100 C101	F50-H54 WeakPolarHBondContact O-CB 3.21Å; F50-H54 PolarHBondContact O-N 3.07Å; R51-H54 PolarHBondContact O-N 3.38Å; I52-H54 PolarHBondContact O-N 3.1Å; H54-R56 VanDerWaalsContact C-N 3.33Å; H54-R56 PolarHBondContact O-N 3.07Å; H54-S57 PolarHBondContact O-N 2.89Å; H54-R58 WeakPolarHBondContact O-CB 3.42Å; H54-R58 PolarHBondContact O-N 2.8Å; H54-W92 AromaticContact CE1-CZ2 3.61Å; H54-W92 AromaticContact ND1-CZ2 3.6Å; H54-L100 PolarHBondContact CE1-O 3.46Å; H54-C101 WeakPolarHBondContact CB-O 3.32Å; H54-C101 PolarHBondContact ND1-O 3.32Å
55	K	97	Very high	96.5	Very high	124 Å²	124	38.1 Å²	38.1	54%	0.539	17%	0.17	S	C	.	.	H	α-helix	trans	-58.6	-43.7	-178.1	-175.1	170	178.1	178.7	0	112	L25 R51 I52 R58 F59	L25-K55 HydrophobicContact CD1-CG 4.49Å; L25-K55 HydrophobicContact CD2-CB 4.37Å; L25-K55 HydrophobicContact CD2-CD 3.73Å; L25-K55 HydrophobicContact CD2-CG 3.92Å; R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 PolarHBondContact O-N 3.04Å; I52-K55 PolarHBondContact O-N 3.3Å; K55-R58 PolarHBondContact O-N 2.98Å; K55-F59 VanDerWaalsContact O-CB 3.28Å; K55-F59 WeakPolarHBondContact O-CB 3.46Å; K55-F59 PolarHBondContact O-N 2.84Å
56	R	97.5	Very high	96.7	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-49.6	178	-167.6	173.9	69.3	-164.5	6.5	111.9	A2 I22 L25 I52 H54 R58 F59 I60 K82 I83	A2-R56 PolarHBondContact O-NH1 2.91Å; A2-R56 PolarHBondContact O-NH2 3.37Å; I22-R56 HydrophobicContact CD1-CG 4.09Å; L25-R56 HydrophobicContact CD1-CB 4Å; L25-R56 HydrophobicContact CD1-CG 4.21Å; I52-R56 WeakPolarHBondContact O-CB 3.48Å; I52-R56 PolarHBondContact O-N 3.46Å; H54-R56 VanDerWaalsContact C-N 3.33Å; H54-R56 PolarHBondContact O-N 3.07Å; R56-R58 VanDerWaalsContact C-N 3.33Å; R56-R58 PolarHBondContact O-N 3.01Å; R56-F59 PolarHBondContact O-N 3.47Å; R56-I60 PolarHBondContact O-N 3.32Å; R56-K82 PolarHBondContact NH2-O 3.38Å; R56-I83 WeakPolarHBondContact CD-O 3.31Å; R56-I83 HydrophobicContact CG-CG2 4.08Å; R56-I83 WeakPolarHBondContact CG-O 3.37Å; R56-I83 PolarHBondContact NE-O 3.2Å
57	S	98.2	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-39.1	178	-58.3	0	0	0	0	111.8	H53 H54 I60 Y61 D85	H53-S57 WeakPolarHBondContact O-CB 3.34Å; H53-S57 PolarHBondContact O-N 3.47Å; H53-S57 PolarHBondContact O-OG 3.42Å; H53-S57 VanDerWaalsContact O-OG 3.07Å; H54-S57 PolarHBondContact O-N 2.89Å; S57-I60 PolarHBondContact O-N 2.85Å; S57-Y61 WeakPolarHBondContact O-CB 3.43Å; S57-Y61 PolarHBondContact O-N 3.46Å; S57-D85 PolarHBondContact OG-N 2.88Å
58	R	98	Very high	97.1	Very high	39 Å²	39	54.1 Å²	54.1	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-37.7	-178.6	-175	54.3	168.5	-122.6	-6.9	112	H54 K55 R56 Y61 D62 W92 E98	H54-R58 WeakPolarHBondContact O-CB 3.42Å; H54-R58 PolarHBondContact O-N 2.8Å; K55-R58 PolarHBondContact O-N 2.98Å; R56-R58 VanDerWaalsContact C-N 3.33Å; R56-R58 PolarHBondContact O-N 3.01Å; R58-Y61 PolarHBondContact O-N 3.35Å; R58-D62 IonicContact NE-OD1 3.15Å; R58-D62 PolarHBondContact NE-OD1 3.15Å; R58-D62 IonicContact NE-OD2 3.54Å; R58-D62 PolarHBondContact NE-OD2 3.48Å; R58-D62 WeakPolarHBondContact O-CB 3.41Å; R58-D62 PolarHBondContact O-N 3.01Å; R58-W92 VanDerWaalsContact CA-CH2 3.48Å; R58-W92 HydrophobicContact CB-CH2 3.65Å; R58-W92 HydrophobicContact CB-CZ2 4.27Å; R58-W92 HydrophobicContact CB-CZ3 4.15Å; R58-W92 HydrophobicContact CG-CH2 4.44Å; R58-E98 PolarHBondContact NH1-O 3.38Å
59	F	98.5	Very high	97.2	Very high	44 Å²	44	54.4 Å²	54.4	19%	0.193	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-51.7	174.1	176	-116.1	0	0	0	111.5	I18 T21 I22 K55 R56 Y61 D62 L63	I18-F59 HydrophobicContact CB-CE1 4.07Å; I18-F59 HydrophobicContact CG2-CE1 4.26Å; I18-F59 HydrophobicContact CG2-CZ 4.43Å; T21-F59 HydrophobicContact CG2-CD1 3.85Å; T21-F59 HydrophobicContact CG2-CD2 4.19Å; T21-F59 HydrophobicContact CG2-CE1 3.56Å; T21-F59 HydrophobicContact CG2-CE2 3.93Å; T21-F59 HydrophobicContact CG2-CG 4.14Å; T21-F59 HydrophobicContact CG2-CZ 3.59Å; I22-F59 HydrophobicContact CD1-CD1 3.95Å; I22-F59 HydrophobicContact CD1-CE1 4.21Å; K55-F59 VanDerWaalsContact O-CB 3.28Å; K55-F59 WeakPolarHBondContact O-CB 3.46Å; K55-F59 PolarHBondContact O-N 2.84Å; R56-F59 PolarHBondContact O-N 3.47Å; F59-Y61 PolarHBondContact O-N 3Å; F59-D62 PolarHBondContact O-N 3.19Å; F59-L63 HydrophobicContact CD1-CD1 4.08Å; F59-L63 HydrophobicContact CD2-CD1 4.2Å; F59-L63 HydrophobicContact CD2-CG 4.4Å; F59-L63 HydrophobicContact CE1-CD1 3.64Å; F59-L63 HydrophobicContact CE2-CD1 3.76Å; F59-L63 HydrophobicContact CE2-CD2 4.46Å; F59-L63 HydrophobicContact CE2-CG 4.15Å; F59-L63 HydrophobicContact CG-CD1 4.35Å; F59-L63 HydrophobicContact CZ-CD1 3.47Å; F59-L63 VanDerWaalsContact CZ-CD1 3.47Å; F59-L63 HydrophobicContact CZ-CG 4.35Å; F59-L63 WeakPolarHBondContact O-CB 3.47Å; F59-L63 WeakPolarHBondContact O-CG 3.4Å; F59-L63 PolarHBondContact O-N 3.01Å
60	I	98.4	Very high	97.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-42.6	177.2	-61.9	-55.6	0	0	0	111.6	I18 I22 R56 S57 L63 Y64 I70 Y75 C78 A84	I18-I60 HydrophobicContact CD1-CD1 3.93Å; I22-I60 HydrophobicContact CD1-CD1 4.04Å; I22-I60 HydrophobicContact CD1-CG1 4.42Å; R56-I60 PolarHBondContact O-N 3.32Å; S57-I60 PolarHBondContact O-N 2.85Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-Y64 PolarHBondContact O-N 3.46Å; I60-Y64 VanDerWaalsContact O-N 3.08Å; I60-I70 HydrophobicContact CG2-CD1 4.38Å; I60-Y75 HydrophobicContact CG2-CD2 3.73Å; I60-Y75 HydrophobicContact CG2-CE2 4.11Å; I60-C78 HydrophobicContact CD1-CB 4.38Å; I60-C78 HydrophobicContact CG1-CB 4.33Å; I60-C78 HydrophobicContact CG2-CB 3.98Å; I60-A84 HydrophobicContact CB-CB 3.89Å; I60-A84 HydrophobicContact CG1-CB 4.08Å; I60-A84 HydrophobicContact CG2-CB 3.92Å
61	Y	98.5	Very high	97.5	Very high	28 Å²	28	55.8 Å²	55.8	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-49.8	176.4	177.5	-96.4	0	0	0	112.5	S57 R58 F59 Y64 Y65 I89 W92 K93	S57-Y61 WeakPolarHBondContact O-CB 3.43Å; S57-Y61 PolarHBondContact O-N 3.46Å; R58-Y61 PolarHBondContact O-N 3.35Å; F59-Y61 PolarHBondContact O-N 3Å; Y61-Y64 PolarHBondContact O-N 2.84Å; Y61-Y65 AromaticContact CD2-CD2 3.35Å; Y61-Y65 HydrophobicContact CD2-CD2 3.35Å; Y61-Y65 AromaticContact CD2-CE2 3.92Å; Y61-Y65 HydrophobicContact CD2-CE2 3.92Å; Y61-Y65 HydrophobicContact CD2-CG 4.22Å; Y61-Y65 AromaticContact CE2-CD2 3.36Å; Y61-Y65 HydrophobicContact CE2-CD2 3.36Å; Y61-Y65 AromaticContact CE2-CE2 3.92Å; Y61-Y65 HydrophobicContact CE2-CE2 3.92Å; Y61-Y65 AromaticContact CE2-CG 3.89Å; Y61-Y65 HydrophobicContact CE2-CG 3.89Å; Y61-Y65 HydrophobicContact CG-CD2 4.19Å; Y61-Y65 WeakPolarHBondContact O-CB 3.49Å; Y61-Y65 PolarHBondContact O-N 3.07Å; Y61-I89 HydrophobicContact CD2-CB 4.38Å; Y61-I89 HydrophobicContact CD2-CG1 4.12Å; Y61-I89 HydrophobicContact CD2-CG2 3.7Å; Y61-I89 HydrophobicContact CE2-CG2 4.12Å; Y61-W92 HydrophobicContact CD1-CE3 4.04Å; Y61-W92 AromaticContact CD2-CE3 3.85Å; Y61-W92 HydrophobicContact CD2-CE3 3.85Å; Y61-W92 HydrophobicContact CE1-CB 4.44Å; Y61-W92 HydrophobicContact CE2-CB 4.15Å; Y61-W92 HydrophobicContact CE2-CE3 4.46Å; Y61-W92 AromaticContact CG-CE3 3.6Å; Y61-W92 HydrophobicContact CG-CE3 3.6Å; Y61-W92 HydrophobicContact CG-CZ3 4.06Å; Y61-K93 HydrophobicContact CE2-CG 4.2Å
62	D	98.4	Very high	97.7	Very high	32 Å²	32	55.7 Å²	55.7	17%	0.171	25%	0.254	C	S	.	.	I	π-helix	trans	-67.5	-37.4	-177.4	-73.9	-22.7	0	0	0	111	R58 F59 K66 R67	R58-D62 IonicContact NE-OD1 3.15Å; R58-D62 PolarHBondContact NE-OD1 3.15Å; R58-D62 IonicContact NE-OD2 3.54Å; R58-D62 PolarHBondContact NE-OD2 3.48Å; R58-D62 WeakPolarHBondContact O-CB 3.41Å; R58-D62 PolarHBondContact O-N 3.01Å; F59-D62 PolarHBondContact O-N 3.19Å; D62-K66 HydrophobicContact CB-CD 4.46Å; D62-K66 WeakPolarHBondContact O-CA 3.46Å; D62-K66 WeakPolarHBondContact O-CB 3.33Å; D62-K66 PolarHBondContact O-N 3.26Å; D62-K66 VanDerWaalsContact O-N 3.1Å; D62-K66 VanDerWaalsContact OD1-CD 3.23Å; D62-K66 WeakPolarHBondContact OD1-CD 3.32Å; D62-K66 WeakPolarHBondContact OD1-CE 3.35Å; D62-K66 IonicContact OD1-NZ 2.67Å; D62-K66 PolarHBondContact OD1-NZ 3.2Å; D62-K66 IonicContact OD2-NZ 2.82Å; D62-R67 PolarHBondContact O-N 2.99Å
63	L	98.5	Very high	97.7	Very high	17 Å²	17	60.8 Å²	60.8	9%	0.089	28%	0.277	C	S	.	.	I	π-helix	trans	-61.1	-45.2	174.6	-74.7	175	0	0	0	112.5	I18 F59 I60 K68 A69 I70	I18-L63 HydrophobicContact CG2-CD1 3.46Å; I18-L63 VanDerWaalsContact CG2-CD1 3.46Å; F59-L63 HydrophobicContact CD1-CD1 4.08Å; F59-L63 HydrophobicContact CD2-CD1 4.2Å; F59-L63 HydrophobicContact CD2-CG 4.4Å; F59-L63 HydrophobicContact CE1-CD1 3.64Å; F59-L63 HydrophobicContact CE2-CD1 3.76Å; F59-L63 HydrophobicContact CE2-CD2 4.46Å; F59-L63 HydrophobicContact CE2-CG 4.15Å; F59-L63 HydrophobicContact CG-CD1 4.35Å; F59-L63 HydrophobicContact CZ-CD1 3.47Å; F59-L63 VanDerWaalsContact CZ-CD1 3.47Å; F59-L63 HydrophobicContact CZ-CG 4.35Å; F59-L63 WeakPolarHBondContact O-CB 3.47Å; F59-L63 WeakPolarHBondContact O-CG 3.4Å; F59-L63 PolarHBondContact O-N 3.01Å; I60-L63 PolarHBondContact O-N 3.05Å; L63-K68 WeakPolarHBondContact O-CA 3.41Å; L63-K68 PolarHBondContact O-N 3.07Å; L63-A69 HydrophobicContact CD2-CB 3.98Å; L63-A69 PolarHBondContact O-N 3.04Å; L63-I70 HydrophobicContact CB-CD1 3.95Å; L63-I70 HydrophobicContact CB-CG1 4.01Å; L63-I70 HydrophobicContact CB-CG2 4.28Å; L63-I70 HydrophobicContact CD1-CG2 4.27Å
64	Y	98.6	Very high	97.8	Very high	50 Å²	50	60 Å²	60	20%	0.196	27%	0.274	C	S	.	.	I	π-helix	trans	-81.8	-48.8	-176.7	-178.6	-116.4	0	0	0	113.3	I60 Y61 K68 I70 K72 Y75	I60-Y64 PolarHBondContact O-N 3.46Å; I60-Y64 VanDerWaalsContact O-N 3.08Å; Y61-Y64 PolarHBondContact O-N 2.84Å; Y64-K68 WeakPolarHBondContact O-CD 3.37Å; Y64-I70 HydrophobicContact CD2-CG1 4.32Å; Y64-K72 HydrophobicContact CE2-CB 4.07Å; Y64-Y75 AromaticContact CD1-CD1 3.88Å; Y64-Y75 HydrophobicContact CD1-CD1 3.88Å; Y64-Y75 AromaticContact CD1-CD2 3.62Å; Y64-Y75 HydrophobicContact CD1-CD2 3.62Å; Y64-Y75 HydrophobicContact CD1-CE1 4.14Å; Y64-Y75 AromaticContact CD1-CE2 3.89Å; Y64-Y75 HydrophobicContact CD1-CE2 3.89Å; Y64-Y75 AromaticContact CD1-CG 3.61Å; Y64-Y75 HydrophobicContact CD1-CG 3.61Å; Y64-Y75 HydrophobicContact CD2-CD2 4.47Å; Y64-Y75 HydrophobicContact CD2-CG 4.08Å; Y64-Y75 AromaticContact CE1-CD1 3.86Å; Y64-Y75 HydrophobicContact CE1-CD1 3.86Å; Y64-Y75 HydrophobicContact CE1-CD2 4.43Å; Y64-Y75 HydrophobicContact CE1-CE1 4.12Å; Y64-Y75 HydrophobicContact CE1-CG 4.03Å; Y64-Y75 HydrophobicContact CE2-CG 4.46Å; Y64-Y75 HydrophobicContact CG-CD1 4.31Å; Y64-Y75 AromaticContact CG-CD2 3.64Å; Y64-Y75 HydrophobicContact CG-CD2 3.64Å; Y64-Y75 HydrophobicContact CG-CE2 4.32Å; Y64-Y75 AromaticContact CG-CG 3.64Å; Y64-Y75 HydrophobicContact CG-CG 3.64Å
65	Y	97.8	Very high	97.9	Very high	67 Å²	67	58.8 Å²	58.8	26%	0.263	27%	0.268	S	S	.	.	I	π-helix	trans	-86	-36	-172.2	-77.9	-73.1	0	0	0	113.5	Y61 K68 Y75 I89	Y61-Y65 AromaticContact CD2-CD2 3.35Å; Y61-Y65 HydrophobicContact CD2-CD2 3.35Å; Y61-Y65 AromaticContact CD2-CE2 3.92Å; Y61-Y65 HydrophobicContact CD2-CE2 3.92Å; Y61-Y65 HydrophobicContact CD2-CG 4.22Å; Y61-Y65 AromaticContact CE2-CD2 3.36Å; Y61-Y65 HydrophobicContact CE2-CD2 3.36Å; Y61-Y65 AromaticContact CE2-CE2 3.92Å; Y61-Y65 HydrophobicContact CE2-CE2 3.92Å; Y61-Y65 AromaticContact CE2-CG 3.89Å; Y61-Y65 HydrophobicContact CE2-CG 3.89Å; Y61-Y65 HydrophobicContact CG-CD2 4.19Å; Y61-Y65 WeakPolarHBondContact O-CB 3.49Å; Y61-Y65 PolarHBondContact O-N 3.07Å; Y65-K68 WeakPolarHBondContact O-CE 3.25Å; Y65-K68 PolarHBondContact O-NZ 2.57Å; Y65-Y75 HydrophobicContact CE2-CE2 4.17Å; Y65-Y75 AromaticContact CE2-CZ 3.97Å; Y65-I89 HydrophobicContact CE2-CG2 4.19Å
66	K	96.2	Very high	97.8	Very high	118 Å²	118	57.6 Å²	57.6	51%	0.513	26%	0.264	S	S	.	.	I	π-helix	trans	-97.5	-55.2	-176.2	-59	-172.3	-177.9	154.3	0	112.5	D62	D62-K66 HydrophobicContact CB-CD 4.46Å; D62-K66 WeakPolarHBondContact O-CA 3.46Å; D62-K66 WeakPolarHBondContact O-CB 3.33Å; D62-K66 PolarHBondContact O-N 3.26Å; D62-K66 VanDerWaalsContact O-N 3.1Å; D62-K66 VanDerWaalsContact OD1-CD 3.23Å; D62-K66 WeakPolarHBondContact OD1-CD 3.32Å; D62-K66 WeakPolarHBondContact OD1-CE 3.35Å; D62-K66 IonicContact OD1-NZ 2.67Å; D62-K66 PolarHBondContact OD1-NZ 3.2Å; D62-K66 IonicContact OD2-NZ 2.82Å
67	R	97.4	Very high	97.8	Very high	173 Å²	173	58.5 Å²	58.5	65%	0.653	27%	0.268	S	S	*	.	S	Bend	trans	-83.4	-18	-173.3	-58	-176.8	-169.9	-174.1	1.1	113.5	D62 A69	D62-R67 PolarHBondContact O-N 2.99Å; R67-A69 HydrophobicContact CB-CB 4.05Å; R67-A69 PolarHBondContact O-N 2.86Å
68	K	97.1	Very high	97.7	Very high	144 Å²	144	58.5 Å²	58.5	63%	0.626	27%	0.268	S	S	*	.			trans	52	34.5	-174.2	-50.7	-48.4	-162.4	-170.5	0	112.6	L63 Y64 Y65	L63-K68 WeakPolarHBondContact O-CA 3.41Å; L63-K68 PolarHBondContact O-N 3.07Å; Y64-K68 WeakPolarHBondContact O-CD 3.37Å; Y65-K68 WeakPolarHBondContact O-CE 3.25Å; Y65-K68 PolarHBondContact O-NZ 2.57Å
69	A	97.6	Very high	97.6	Very high	52 Å²	52	58.5 Å²	58.5	43%	0.43	27%	0.271	S	S	.	.			trans	-92.8	-9.5	-171	0	0	0	0	0	113.7	L63 R67	L63-A69 HydrophobicContact CD2-CB 3.98Å; L63-A69 PolarHBondContact O-N 3.04Å; R67-A69 HydrophobicContact CB-CB 4.05Å; R67-A69 PolarHBondContact O-N 2.86Å
70	I	98	Very high	97.3	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	29%	0.292	C	S	.	.	S	Bend	trans	-128.7	149.5	177.4	61.8	174.7	0	0	0	110.4	I18 I60 L63 Y64 L74	I18-I70 HydrophobicContact CG2-CG2 3.92Å; I60-I70 HydrophobicContact CG2-CD1 4.38Å; L63-I70 HydrophobicContact CB-CD1 3.95Å; L63-I70 HydrophobicContact CB-CG1 4.01Å; L63-I70 HydrophobicContact CB-CG2 4.28Å; L63-I70 HydrophobicContact CD1-CG2 4.27Å; Y64-I70 HydrophobicContact CD2-CG1 4.32Å; I70-L74 HydrophobicContact CB-CB 4.47Å; I70-L74 HydrophobicContact CB-CD2 3.88Å; I70-L74 HydrophobicContact CB-CG 4.3Å; I70-L74 HydrophobicContact CG2-CD2 3.75Å
71	S	98.1	Very high	97	Very high	53 Å²	53	65.2 Å²	65.2	37%	0.371	30%	0.3	S	S	.	.			trans	-68.1	160.9	177.7	72	0	0	0	0	111.9	E73 L74 Y75	S71-E73 VanDerWaalsContact C-N 3.25Å; S71-E73 PolarHBondContact O-N 2.81Å; S71-L74 PolarHBondContact O-N 3.21Å; S71-L74 WeakPolarHBondContact OG-CB 3.44Å; S71-L74 PolarHBondContact OG-N 3.13Å; S71-L74 VanDerWaalsContact OG-N 3.08Å; S71-Y75 WeakPolarHBondContact O-CB 3.48Å; S71-Y75 PolarHBondContact O-N 2.88Å
72	K	98.1	Very high	96.8	Very high	123 Å²	123	72.1 Å²	72.1	54%	0.535	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-39.1	172	179.3	179.3	169.2	-171.5	0	111.3	Y64 Y75 E76	Y64-K72 HydrophobicContact CE2-CB 4.07Å; K72-Y75 PolarHBondContact O-N 3.09Å; K72-E76 WeakPolarHBondContact CE-OE1 3.44Å; K72-E76 HydrophobicContact CG-CG 4.34Å; K72-E76 IonicContact NZ-OE1 3.74Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 WeakPolarHBondContact O-CG 3.2Å; K72-E76 PolarHBondContact O-N 3.1Å
73	E	97.5	Very high	96.7	Very high	128 Å²	128	70.6 Å²	70.6	60%	0.598	32%	0.323	S	S	*	.	H	α-helix	trans	-61.6	-47.1	178.1	-175.1	178.4	-175.9	0	0	111.6	P12 S71 Y75 E76 F77	P12-E73 HydrophobicContact CB-CG 4.03Å; P12-E73 HydrophobicContact CG-CG 4.16Å; S71-E73 VanDerWaalsContact C-N 3.25Å; S71-E73 PolarHBondContact O-N 2.81Å; E73-Y75 VanDerWaalsContact C-N 3.35Å; E73-Y75 PolarHBondContact O-N 2.87Å; E73-E76 PolarHBondContact O-N 2.66Å; E73-F77 WeakPolarHBondContact O-CB 3.26Å; E73-F77 PolarHBondContact O-N 3.45Å
74	L	97.4	Very high	96.6	Very high	0 Å²	0	70 Å²	70	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-40	177	-179.6	54.3	0	0	0	112	G14 W15 I18 I70 S71 F77 C78	G14-L74 VanDerWaalsContact C-CD2 3.47Å; G14-L74 WeakPolarHBondContact O-CD2 3.28Å; W15-L74 HydrophobicContact CB-CD1 4.35Å; W15-L74 HydrophobicContact CE3-CD1 3.93Å; I18-L74 HydrophobicContact CD1-CD1 3.95Å; I18-L74 HydrophobicContact CD1-CD2 4.2Å; I18-L74 HydrophobicContact CD1-CG 4.16Å; I70-L74 HydrophobicContact CB-CB 4.47Å; I70-L74 HydrophobicContact CB-CD2 3.88Å; I70-L74 HydrophobicContact CB-CG 4.3Å; I70-L74 HydrophobicContact CG2-CD2 3.75Å; S71-L74 PolarHBondContact O-N 3.21Å; S71-L74 WeakPolarHBondContact OG-CB 3.44Å; S71-L74 PolarHBondContact OG-N 3.13Å; S71-L74 VanDerWaalsContact OG-N 3.08Å; L74-F77 HydrophobicContact CD1-CD1 4.47Å; L74-F77 PolarHBondContact O-N 2.8Å; L74-C78 PolarHBondContact O-N 3.47Å; L74-C78 PolarHBondContact O-SG 2.94Å
75	Y	98	Very high	96.5	Very high	23 Å²	23	69.2 Å²	69.2	9%	0.09	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-48.8	173.9	170.7	-96.5	0	0	0	112	I60 Y64 Y65 S71 K72 E73 F77 C78 I79 I89	I60-Y75 HydrophobicContact CG2-CD2 3.73Å; I60-Y75 HydrophobicContact CG2-CE2 4.11Å; Y64-Y75 AromaticContact CD1-CD1 3.88Å; Y64-Y75 HydrophobicContact CD1-CD1 3.88Å; Y64-Y75 AromaticContact CD1-CD2 3.62Å; Y64-Y75 HydrophobicContact CD1-CD2 3.62Å; Y64-Y75 HydrophobicContact CD1-CE1 4.14Å; Y64-Y75 AromaticContact CD1-CE2 3.89Å; Y64-Y75 HydrophobicContact CD1-CE2 3.89Å; Y64-Y75 AromaticContact CD1-CG 3.61Å; Y64-Y75 HydrophobicContact CD1-CG 3.61Å; Y64-Y75 HydrophobicContact CD2-CD2 4.47Å; Y64-Y75 HydrophobicContact CD2-CG 4.08Å; Y64-Y75 AromaticContact CE1-CD1 3.86Å; Y64-Y75 HydrophobicContact CE1-CD1 3.86Å; Y64-Y75 HydrophobicContact CE1-CD2 4.43Å; Y64-Y75 HydrophobicContact CE1-CE1 4.12Å; Y64-Y75 HydrophobicContact CE1-CG 4.03Å; Y64-Y75 HydrophobicContact CE2-CG 4.46Å; Y64-Y75 HydrophobicContact CG-CD1 4.31Å; Y64-Y75 AromaticContact CG-CD2 3.64Å; Y64-Y75 HydrophobicContact CG-CD2 3.64Å; Y64-Y75 HydrophobicContact CG-CE2 4.32Å; Y64-Y75 AromaticContact CG-CG 3.64Å; Y64-Y75 HydrophobicContact CG-CG 3.64Å; Y65-Y75 HydrophobicContact CE2-CE2 4.17Å; Y65-Y75 AromaticContact CE2-CZ 3.97Å; S71-Y75 WeakPolarHBondContact O-CB 3.48Å; S71-Y75 PolarHBondContact O-N 2.88Å; K72-Y75 PolarHBondContact O-N 3.09Å; E73-Y75 VanDerWaalsContact C-N 3.35Å; E73-Y75 PolarHBondContact O-N 2.87Å; Y75-F77 VanDerWaalsContact C-N 3.33Å; Y75-F77 PolarHBondContact O-N 2.72Å; Y75-C78 WeakPolarHBondContact O-CB 3.38Å; Y75-C78 PolarHBondContact O-N 2.97Å; Y75-C78 VanDerWaalsContact O-N 3.15Å; Y75-I79 HydrophobicContact CE1-CG1 4.05Å; Y75-I79 HydrophobicContact CE2-CD1 4.32Å; Y75-I79 HydrophobicContact CE2-CG1 4.3Å; Y75-I79 WeakPolarHBondContact O-CG1 3.04Å; Y75-I79 PolarHBondContact O-N 3.2Å; Y75-I79 VanDerWaalsContact O-N 3.11Å; Y75-I89 HydrophobicContact CE2-CD1 4.27Å; Y75-I89 WeakPolarHBondContact OH-CG2 3.2Å
76	E	96.9	Very high	96.5	Very high	98 Å²	98	68.2 Å²	68.2	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-37.4	179.1	-74.4	179.7	169.4	0	0	112.1	K72 E73 I79 K80	K72-E76 WeakPolarHBondContact CE-OE1 3.44Å; K72-E76 HydrophobicContact CG-CG 4.34Å; K72-E76 IonicContact NZ-OE1 3.74Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 WeakPolarHBondContact O-CG 3.2Å; K72-E76 PolarHBondContact O-N 3.1Å; E73-E76 PolarHBondContact O-N 2.66Å; E76-I79 PolarHBondContact O-N 3.43Å; E76-K80 WeakPolarHBondContact O-CB 3.4Å; E76-K80 PolarHBondContact O-N 2.93Å
77	F	95.6	Very high	96.5	Very high	24 Å²	24	67.9 Å²	67.9	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-48.6	170.3	175.5	-95.5	0	0	0	111.4	P11 P12 W15 E73 L74 Y75 I79 K80 E81 I83	P11-F77 HydrophobicContact CB-CE1 4.45Å; P11-F77 HydrophobicContact CB-CZ 4.36Å; P12-F77 HydrophobicContact CG-CB 3.71Å; P12-F77 HydrophobicContact CG-CD1 4.41Å; P12-F77 HydrophobicContact CG-CD2 4.04Å; P12-F77 HydrophobicContact CG-CG 3.81Å; W15-F77 HydrophobicContact CE3-CD1 4.33Å; W15-F77 AromaticContact CE3-CE1 3.98Å; W15-F77 HydrophobicContact CE3-CE1 3.98Å; W15-F77 HydrophobicContact CZ3-CD1 4.32Å; W15-F77 AromaticContact CZ3-CE1 3.89Å; W15-F77 HydrophobicContact CZ3-CE1 3.89Å; E73-F77 WeakPolarHBondContact O-CB 3.26Å; E73-F77 PolarHBondContact O-N 3.45Å; L74-F77 HydrophobicContact CD1-CD1 4.47Å; L74-F77 PolarHBondContact O-N 2.8Å; Y75-F77 VanDerWaalsContact C-N 3.33Å; Y75-F77 PolarHBondContact O-N 2.72Å; F77-I79 VanDerWaalsContact C-N 3.26Å; F77-I79 PolarHBondContact O-N 3.05Å; F77-K80 PolarHBondContact O-N 3.21Å; F77-E81 HydrophobicContact CD1-CG 4.31Å; F77-E81 HydrophobicContact CD2-CG 3.97Å; F77-E81 HydrophobicContact CE1-CG 3.99Å; F77-E81 HydrophobicContact CE2-CG 3.62Å; F77-E81 HydrophobicContact CG-CG 4.31Å; F77-E81 HydrophobicContact CZ-CG 3.64Å; F77-E81 WeakPolarHBondContact O-CB 3.42Å; F77-E81 WeakPolarHBondContact O-CG 3.18Å; F77-E81 PolarHBondContact O-N 3.37Å; F77-I83 HydrophobicContact CE1-CD1 4.46Å
78	C	96.1	Very high	96.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-35.4	178.4	-68.9	0	0	0	0	113.1	I60 L74 Y75 K82 I83 A84	I60-C78 HydrophobicContact CD1-CB 4.38Å; I60-C78 HydrophobicContact CG1-CB 4.33Å; I60-C78 HydrophobicContact CG2-CB 3.98Å; L74-C78 PolarHBondContact O-N 3.47Å; L74-C78 PolarHBondContact O-SG 2.94Å; Y75-C78 WeakPolarHBondContact O-CB 3.38Å; Y75-C78 PolarHBondContact O-N 2.97Å; Y75-C78 VanDerWaalsContact O-N 3.15Å; C78-K82 PolarHBondContact O-N 2.77Å; C78-I83 HydrophobicContact CB-CB 4.22Å; C78-I83 WeakPolarHBondContact O-CA 3.14Å; C78-I83 WeakPolarHBondContact O-CB 3.23Å; C78-I83 PolarHBondContact O-N 2.94Å; C78-A84 PolarHBondContact O-N 3.21Å; C78-A84 VanDerWaalsContact O-N 3.11Å
79	I	95.9	Very high	96.5	Very high	40 Å²	40	53 Å²	53	21%	0.205	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-47.3	175.6	-62.8	-67.2	0	0	0	110.8	Y75 E76 F77 E81 K82 A84 A86 I89	Y75-I79 HydrophobicContact CE1-CG1 4.05Å; Y75-I79 HydrophobicContact CE2-CD1 4.32Å; Y75-I79 HydrophobicContact CE2-CG1 4.3Å; Y75-I79 WeakPolarHBondContact O-CG1 3.04Å; Y75-I79 PolarHBondContact O-N 3.2Å; Y75-I79 VanDerWaalsContact O-N 3.11Å; E76-I79 PolarHBondContact O-N 3.43Å; F77-I79 VanDerWaalsContact C-N 3.26Å; F77-I79 PolarHBondContact O-N 3.05Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 PolarHBondContact O-N 3.45Å; I79-K82 PolarHBondContact O-N 3.21Å; I79-A84 HydrophobicContact CD1-CB 3.76Å; I79-A86 HydrophobicContact CD1-CB 4.35Å; I79-A86 HydrophobicContact CG2-CB 3.81Å; I79-I89 HydrophobicContact CD1-CD1 3.68Å
80	K	93.8	Very high	96.5	Very high	147 Å²	147	52.8 Å²	52.8	64%	0.639	27%	0.267	S	S	*	.	H	α-helix	trans	-61.8	-42.1	-178.8	-177.2	176.4	-176.9	168.4	0	112.4	E76 F77 K82	E76-K80 WeakPolarHBondContact O-CB 3.4Å; E76-K80 PolarHBondContact O-N 2.93Å; F77-K80 PolarHBondContact O-N 3.21Å; K80-K82 PolarHBondContact O-N 3.36Å
81	E	92.6	Very high	96.4	Very high	38 Å²	38	55.4 Å²	55.4	18%	0.178	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	5.8	177	-68.1	-59.6	149.6	0	0	113	Y4 S7 F77 I79 I83	Y4-E81 HydrophobicContact CD2-CB 4.39Å; Y4-E81 WeakPolarHBondContact CD2-O 3.34Å; Y4-E81 HydrophobicContact CE2-CB 3.75Å; Y4-E81 HydrophobicContact CE2-CG 4.41Å; S7-E81 VanDerWaalsContact CB-CD 3.44Å; S7-E81 WeakPolarHBondContact CB-OE1 3.22Å; S7-E81 VanDerWaalsContact CB-OE2 3.32Å; S7-E81 WeakPolarHBondContact CB-OE2 3.48Å; S7-E81 PolarHBondContact OG-OE1 3.27Å; S7-E81 PolarHBondContact OG-OE2 3.22Å; F77-E81 HydrophobicContact CD1-CG 4.31Å; F77-E81 HydrophobicContact CD2-CG 3.97Å; F77-E81 HydrophobicContact CE1-CG 3.99Å; F77-E81 HydrophobicContact CE2-CG 3.62Å; F77-E81 HydrophobicContact CG-CG 4.31Å; F77-E81 HydrophobicContact CZ-CG 3.64Å; F77-E81 WeakPolarHBondContact O-CB 3.42Å; F77-E81 WeakPolarHBondContact O-CG 3.18Å; F77-E81 PolarHBondContact O-N 3.37Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 PolarHBondContact O-N 3.45Å; E81-I83 HydrophobicContact CB-CD1 4.14Å; E81-I83 HydrophobicContact CB-CG1 4.05Å; E81-I83 PolarHBondContact O-N 3.45Å; E81-I83 VanDerWaalsContact O-N 3.14Å
82	K	93.4	Very high	96.3	Very high	173 Å²	173	53 Å²	53	75%	0.752	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	27	178.6	-53.6	179.1	-179.6	177.2	0	113.4	R56 C78 I79 K80	R56-K82 PolarHBondContact NH2-O 3.38Å; C78-K82 PolarHBondContact O-N 2.77Å; I79-K82 PolarHBondContact O-N 3.21Å; K80-K82 PolarHBondContact O-N 3.36Å
83	I	95.3	Very high	96.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-71.2	-43.8	170.8	-58.4	174.9	0	0	0	108.5	Y4 W15 I22 R56 F77 C78 E81	Y4-I83 HydrophobicContact CD1-CD1 4.18Å; Y4-I83 HydrophobicContact CD1-CG1 4.04Å; Y4-I83 HydrophobicContact CD2-CD1 4.25Å; Y4-I83 HydrophobicContact CD2-CG1 3.63Å; Y4-I83 HydrophobicContact CE1-CD1 3.9Å; Y4-I83 HydrophobicContact CE1-CG1 4.21Å; Y4-I83 HydrophobicContact CE2-CD1 4.02Å; Y4-I83 HydrophobicContact CE2-CG1 3.87Å; Y4-I83 HydrophobicContact CG-CD1 4.32Å; Y4-I83 HydrophobicContact CG-CG1 3.72Å; W15-I83 HydrophobicContact CH2-CD1 3.67Å; W15-I83 HydrophobicContact CZ3-CD1 3.72Å; I22-I83 HydrophobicContact CD1-CG2 3.7Å; I22-I83 HydrophobicContact CG1-CG2 4.23Å; I22-I83 HydrophobicContact CG2-CG2 3.96Å; R56-I83 WeakPolarHBondContact CD-O 3.31Å; R56-I83 HydrophobicContact CG-CG2 4.08Å; R56-I83 WeakPolarHBondContact CG-O 3.37Å; R56-I83 PolarHBondContact NE-O 3.2Å; F77-I83 HydrophobicContact CE1-CD1 4.46Å; C78-I83 HydrophobicContact CB-CB 4.22Å; C78-I83 WeakPolarHBondContact O-CA 3.14Å; C78-I83 WeakPolarHBondContact O-CB 3.23Å; C78-I83 PolarHBondContact O-N 2.94Å; E81-I83 HydrophobicContact CB-CD1 4.14Å; E81-I83 HydrophobicContact CB-CG1 4.05Å; E81-I83 PolarHBondContact O-N 3.45Å; E81-I83 VanDerWaalsContact O-N 3.14Å
84	A	96.9	Very high	96.1	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	26%	0.257	C	S	.	.	S	Bend	trans	-113.7	143.6	175.5	0	0	0	0	0	111.9	I60 C78 I79 A86 I89	I60-A84 HydrophobicContact CB-CB 3.89Å; I60-A84 HydrophobicContact CG1-CB 4.08Å; I60-A84 HydrophobicContact CG2-CB 3.92Å; C78-A84 PolarHBondContact O-N 3.21Å; C78-A84 VanDerWaalsContact O-N 3.11Å; I79-A84 HydrophobicContact CD1-CB 3.76Å; A84-A86 PolarHBondContact O-N 3.37Å; A84-I89 HydrophobicContact CB-CD1 3.92Å
85	D	97.3	Very high	95.8	Very high	34 Å²	34	61.2 Å²	61.2	18%	0.182	30%	0.297	C	S	.	.			trans	-85.6	108	179.2	-176.8	-19.5	0	0	0	111.4	H53 S57 N87 L88 I89	H53-D85 VanDerWaalsContact CE1-CB 3.47Å; H53-D85 WeakPolarHBondContact CE1-CB 3.43Å; H53-D85 IonicContact CE1-OD2 2.9Å; H53-D85 PolarHBondContact CE1-OD2 2.99Å; H53-D85 IonicContact NE2-OD2 2.87Å; S57-D85 PolarHBondContact OG-N 2.88Å; D85-N87 VanDerWaalsContact C-N 3.29Å; D85-N87 PolarHBondContact O-N 3.41Å; D85-N87 WeakPolarHBondContact OD1-CA 3.27Å; D85-N87 WeakPolarHBondContact OD1-CB 3.21Å; D85-N87 PolarHBondContact OD1-N 2.95Å; D85-L88 HydrophobicContact CB-CB 3.9Å; D85-L88 PolarHBondContact O-N 3.45Å; D85-L88 PolarHBondContact OD1-N 3.48Å; D85-L88 VanDerWaalsContact OD1-N 3.09Å; D85-I89 WeakPolarHBondContact O-CB 3.26Å; D85-I89 WeakPolarHBondContact O-CG1 3.4Å; D85-I89 PolarHBondContact O-N 3.38Å
86	A	97.2	Very high	95.5	Very high	46 Å²	46	61.7 Å²	61.7	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-38.5	177.5	0	0	0	0	0	113.5	I79 A84 I89 A90	I79-A86 HydrophobicContact CD1-CB 4.35Å; I79-A86 HydrophobicContact CG2-CB 3.81Å; A84-A86 PolarHBondContact O-N 3.37Å; A86-I89 PolarHBondContact O-N 3.1Å; A86-A90 VanDerWaalsContact O-CB 3.3Å; A86-A90 WeakPolarHBondContact O-CB 3.14Å; A86-A90 PolarHBondContact O-N 3.08Å
87	N	96.7	Very high	95.3	Very high	111 Å²	111	60.5 Å²	60.5	59%	0.594	30%	0.301	S	S	*	.	H	α-helix	trans	-71	-42.2	-177.7	-69.3	-48.4	0	0	0	110.6	D85 A90 K91 L103	D85-N87 VanDerWaalsContact C-N 3.29Å; D85-N87 PolarHBondContact O-N 3.41Å; D85-N87 WeakPolarHBondContact OD1-CA 3.27Å; D85-N87 WeakPolarHBondContact OD1-CB 3.21Å; D85-N87 PolarHBondContact OD1-N 2.95Å; N87-A90 PolarHBondContact O-N 3.1Å; N87-K91 WeakPolarHBondContact O-CG 3.36Å; N87-K91 PolarHBondContact O-N 2.89Å; N87-L103 HydrophobicContact CB-CD1 3.55Å
88	L	96.7	Very high	95.3	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-44.4	175.5	-175.2	57	0	0	0	111.1	D85 A90 K91 W92 L100 L103	D85-L88 HydrophobicContact CB-CB 3.9Å; D85-L88 PolarHBondContact O-N 3.45Å; D85-L88 PolarHBondContact OD1-N 3.48Å; D85-L88 VanDerWaalsContact OD1-N 3.09Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.99Å; L88-K91 WeakPolarHBondContact O-CB 3.42Å; L88-K91 PolarHBondContact O-N 3.08Å; L88-K91 VanDerWaalsContact O-N 3.1Å; L88-W92 HydrophobicContact CD1-CZ2 4.11Å; L88-W92 HydrophobicContact CD2-CH2 3.82Å; L88-W92 HydrophobicContact CD2-CZ2 3.52Å; L88-W92 HydrophobicContact CG-CD2 4.42Å; L88-W92 HydrophobicContact CG-CH2 3.92Å; L88-W92 HydrophobicContact CG-CZ2 3.49Å; L88-W92 VanDerWaalsContact CG-CZ2 3.49Å; L88-W92 PolarHBondContact O-N 3.37Å; L88-W92 VanDerWaalsContact O-N 3.13Å; L88-L100 HydrophobicContact CD1-CD2 3.94Å; L88-L100 HydrophobicContact CD1-CG 4.1Å; L88-L103 HydrophobicContact CB-CG 4.35Å; L88-L103 HydrophobicContact CD1-CD2 4.29Å; L88-L103 HydrophobicContact CD1-CG 4.3Å
89	I	98.1	Very high	95.1	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.2	-74.1	166.5	0	0	0	111.7	Y61 Y65 Y75 I79 A84 D85 A86 K91 W92 K93	Y61-I89 HydrophobicContact CD2-CB 4.38Å; Y61-I89 HydrophobicContact CD2-CG1 4.12Å; Y61-I89 HydrophobicContact CD2-CG2 3.7Å; Y61-I89 HydrophobicContact CE2-CG2 4.12Å; Y65-I89 HydrophobicContact CE2-CG2 4.19Å; Y75-I89 HydrophobicContact CE2-CD1 4.27Å; Y75-I89 WeakPolarHBondContact OH-CG2 3.2Å; I79-I89 HydrophobicContact CD1-CD1 3.68Å; A84-I89 HydrophobicContact CB-CD1 3.92Å; D85-I89 WeakPolarHBondContact O-CB 3.26Å; D85-I89 WeakPolarHBondContact O-CG1 3.4Å; D85-I89 PolarHBondContact O-N 3.38Å; A86-I89 PolarHBondContact O-N 3.1Å; I89-K91 PolarHBondContact O-N 3.39Å; I89-W92 HydrophobicContact CB-CE3 4.33Å; I89-W92 HydrophobicContact CG1-CE3 3.72Å; I89-W92 HydrophobicContact CG1-CZ3 3.65Å; I89-W92 PolarHBondContact O-N 3.16Å; I89-K93 PolarHBondContact O-N 3.47Å
90	A	97.4	Very high	95.1	Very high	48 Å²	48	64.5 Å²	64.5	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-30.7	177.4	0	0	0	0	0	112.2	A86 N87 L88	A86-A90 VanDerWaalsContact O-CB 3.3Å; A86-A90 WeakPolarHBondContact O-CB 3.14Å; A86-A90 PolarHBondContact O-N 3.08Å; N87-A90 PolarHBondContact O-N 3.1Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 2.99Å
91	K	95.6	Very high	95.1	Very high	69 Å²	69	58 Å²	58	30%	0.3	29%	0.294	S	S	.	.	H	α-helix	trans	-73.7	-41	173.2	-62.3	-60.1	-179.2	175.4	0	112.3	N87 L88 I89 K93 K94 Y97 L100 L103 I106	N87-K91 WeakPolarHBondContact O-CG 3.36Å; N87-K91 PolarHBondContact O-N 2.89Å; L88-K91 WeakPolarHBondContact O-CB 3.42Å; L88-K91 PolarHBondContact O-N 3.08Å; L88-K91 VanDerWaalsContact O-N 3.1Å; I89-K91 PolarHBondContact O-N 3.39Å; K91-K93 PolarHBondContact O-N 2.88Å; K91-K93 VanDerWaalsContact O-N 3.09Å; K91-K94 WeakPolarHBondContact O-CB 3.45Å; K91-K94 PolarHBondContact O-N 3.08Å; K91-Y97 WeakPolarHBondContact O-CB 3.25Å; K91-L100 HydrophobicContact CB-CD2 3.73Å; K91-L100 HydrophobicContact CG-CD2 4.03Å; K91-L103 HydrophobicContact CG-CD2 3.76Å; K91-I106 HydrophobicContact CD-CD1 3.85Å; K91-I106 HydrophobicContact CG-CD1 3.94Å
92	W	96.8	Very high	95.1	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-21.7	178.3	-65.8	-28.8	0	0	0	114.3	H54 R58 Y61 L88 I89 K94 Y97 L100	H54-W92 AromaticContact CE1-CZ2 3.61Å; H54-W92 AromaticContact ND1-CZ2 3.6Å; R58-W92 VanDerWaalsContact CA-CH2 3.48Å; R58-W92 HydrophobicContact CB-CH2 3.65Å; R58-W92 HydrophobicContact CB-CZ2 4.27Å; R58-W92 HydrophobicContact CB-CZ3 4.15Å; R58-W92 HydrophobicContact CG-CH2 4.44Å; Y61-W92 HydrophobicContact CD1-CE3 4.04Å; Y61-W92 AromaticContact CD2-CE3 3.85Å; Y61-W92 HydrophobicContact CD2-CE3 3.85Å; Y61-W92 HydrophobicContact CE1-CB 4.44Å; Y61-W92 HydrophobicContact CE2-CB 4.15Å; Y61-W92 HydrophobicContact CE2-CE3 4.46Å; Y61-W92 AromaticContact CG-CE3 3.6Å; Y61-W92 HydrophobicContact CG-CE3 3.6Å; Y61-W92 HydrophobicContact CG-CZ3 4.06Å; L88-W92 HydrophobicContact CD1-CZ2 4.11Å; L88-W92 HydrophobicContact CD2-CH2 3.82Å; L88-W92 HydrophobicContact CD2-CZ2 3.52Å; L88-W92 HydrophobicContact CG-CD2 4.42Å; L88-W92 HydrophobicContact CG-CH2 3.92Å; L88-W92 HydrophobicContact CG-CZ2 3.49Å; L88-W92 VanDerWaalsContact CG-CZ2 3.49Å; L88-W92 PolarHBondContact O-N 3.37Å; L88-W92 VanDerWaalsContact O-N 3.13Å; I89-W92 HydrophobicContact CB-CE3 4.33Å; I89-W92 HydrophobicContact CG1-CE3 3.72Å; I89-W92 HydrophobicContact CG1-CZ3 3.65Å; I89-W92 PolarHBondContact O-N 3.16Å; W92-K94 VanDerWaalsContact C-N 3.28Å; W92-Y97 VanDerWaalsContact CD1-O 3.28Å; W92-L100 PolarHBondContact NE1-O 3.06Å
93	K	94.9	Very high	95	Very high	128 Å²	128	49.5 Å²	49.5	56%	0.557	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-8	174	-63.9	176.2	64.4	-180	0	114	Y61 I89 K91	Y61-K93 HydrophobicContact CE2-CG 4.2Å; I89-K93 PolarHBondContact O-N 3.47Å; K91-K93 PolarHBondContact O-N 2.88Å; K91-K93 VanDerWaalsContact O-N 3.09Å
94	K	94.7	Very high	94.8	Very high	115 Å²	115	53.1 Å²	53.1	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-97.7	140.2	179.9	-60.1	-168	179.1	-157.3	0	110.4	K91 W92 G96 Y97	K91-K94 WeakPolarHBondContact O-CB 3.45Å; K91-K94 PolarHBondContact O-N 3.08Å; W92-K94 VanDerWaalsContact C-N 3.28Å; K94-G96 PolarHBondContact O-N 3.39Å; K94-Y97 HydrophobicContact CB-CD2 4.11Å; K94-Y97 PolarHBondContact O-N 3.47Å; K94-Y97 VanDerWaalsContact O-N 3.08Å
95	Q	93	Very high	94.5	Very high	181 Å²	181	53 Å²	53	85%	0.846	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	131.3	177.3	-171.8	177.5	-4.2	0	0	111.4	Y97 E98	Q95-Y97 VanDerWaalsContact C-N 3.29Å; Q95-Y97 WeakPolarHBondContact O-CD2 3.31Å; Q95-Y97 PolarHBondContact O-N 2.82Å; Q95-E98 VanDerWaalsContact CA-OE1 3.27Å; Q95-E98 WeakPolarHBondContact CA-OE1 3.32Å
96	G	90.7	Very high	94.1	Very high	34 Å²	34	52.7 Å²	52.7	35%	0.351	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-5.5	179.8	0	0	0	0	0	114.6	K94 E98 R120	K94-G96 PolarHBondContact O-N 3.39Å; G96-E98 WeakPolarHBondContact CA-OE2 3.15Å; G96-E98 VanDerWaalsContact N-CD 3.31Å; G96-E98 PolarHBondContact N-OE1 3.41Å; G96-E98 PolarHBondContact N-OE2 3.19Å; G96-R120 VanDerWaalsContact O-CZ 3.28Å; G96-R120 PolarHBondContact O-NH1 2.73Å; G96-R120 PolarHBondContact O-NH2 2.92Å
97	Y	93.4	Very high	93.5	Very high	72 Å²	72	53.4 Å²	53.4	28%	0.282	27%	0.265	S	S	.	.			trans	-112	5.3	179.2	-67.7	-92	0	0	0	113.2	K91 W92 K94 Q95 N99 L100 I106	K91-Y97 WeakPolarHBondContact O-CB 3.25Å; W92-Y97 VanDerWaalsContact CD1-O 3.28Å; K94-Y97 HydrophobicContact CB-CD2 4.11Å; K94-Y97 PolarHBondContact O-N 3.47Å; K94-Y97 VanDerWaalsContact O-N 3.08Å; Q95-Y97 VanDerWaalsContact C-N 3.29Å; Q95-Y97 WeakPolarHBondContact O-CD2 3.31Å; Q95-Y97 PolarHBondContact O-N 2.82Å; Y97-N99 PolarHBondContact O-N 3.39Å; Y97-N99 VanDerWaalsContact O-N 3.08Å; Y97-L100 HydrophobicContact CD1-CD2 4.32Å; Y97-L100 WeakPolarHBondContact O-CB 3.35Å; Y97-L100 PolarHBondContact O-N 2.9Å; Y97-I106 HydrophobicContact CD1-CD1 4.28Å; Y97-I106 HydrophobicContact CD1-CG2 4.13Å; Y97-I106 HydrophobicContact CE1-CB 4.31Å; Y97-I106 HydrophobicContact CE1-CD1 4.1Å; Y97-I106 HydrophobicContact CE1-CG2 3.7Å
98	E	94.4	Very high	92.7	Very high	80 Å²	80	51.9 Å²	51.9	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.6	-174.7	-57.7	83.9	171.9	0	0	112.8	R58 Q95 G96	R58-E98 PolarHBondContact NH1-O 3.38Å; Q95-E98 VanDerWaalsContact CA-OE1 3.27Å; Q95-E98 WeakPolarHBondContact CA-OE1 3.32Å; G96-E98 WeakPolarHBondContact CA-OE2 3.15Å; G96-E98 VanDerWaalsContact N-CD 3.31Å; G96-E98 PolarHBondContact N-OE1 3.41Å; G96-E98 PolarHBondContact N-OE2 3.19Å
99	N	93.4	Very high	91.9	Very high	68 Å²	68	61.4 Å²	61.4	36%	0.364	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	8.5	-178.7	-67.1	-26.2	0	0	0	113.8	Y97 C101 C142	Y97-N99 PolarHBondContact O-N 3.39Å; Y97-N99 VanDerWaalsContact O-N 3.08Å; N99-C101 PolarHBondContact O-N 3.06Å; N99-C142 VanDerWaalsContact O-CB 3.25Å; N99-C142 WeakPolarHBondContact O-CB 3.46Å
100	L	94.8	Very high	90.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.313	C	S	.	.			trans	-53.8	122.2	-176.9	-178.1	65.6	0	0	0	111.7	H54 L88 K91 W92 Y97 C102 L103 C105 I106	H54-L100 PolarHBondContact CE1-O 3.46Å; L88-L100 HydrophobicContact CD1-CD2 3.94Å; L88-L100 HydrophobicContact CD1-CG 4.1Å; K91-L100 HydrophobicContact CB-CD2 3.73Å; K91-L100 HydrophobicContact CG-CD2 4.03Å; W92-L100 PolarHBondContact NE1-O 3.06Å; Y97-L100 HydrophobicContact CD1-CD2 4.32Å; Y97-L100 WeakPolarHBondContact O-CB 3.35Å; Y97-L100 PolarHBondContact O-N 2.9Å; L100-C102 WeakPolarHBondContact CD1-O 3.42Å; L100-L103 HydrophobicContact CD2-CD2 4.33Å; L100-C105 HydrophobicContact CD1-CB 4.12Å; L100-I106 HydrophobicContact CD1-CG2 3.56Å; L100-I106 HydrophobicContact CD2-CD1 3.7Å; L100-I106 HydrophobicContact CD2-CG1 4.11Å; L100-I106 HydrophobicContact CD2-CG2 4.4Å
101	C	93.3	Very high	89.7	Confident	10 Å²	10	63 Å²	63	7%	0.068	30%	0.301	C	S	.	.			trans	-76.5	-42.1	-177.1	58.5	0	0	0	0	112.6	H54 N99 C105 C137 C139 C142	H54-C101 WeakPolarHBondContact CB-O 3.32Å; H54-C101 PolarHBondContact ND1-O 3.32Å; N99-C101 PolarHBondContact O-N 3.06Å; C101-C105 PolarHBondContact SG-SG 3.33Å; C101-C137 PolarHBondContact SG-SG 3.13Å; C101-C139 HydrophobicContact CB-CB 4.18Å; C101-C139 PolarHBondContact SG-SG 3.11Å; C101-C142 HydrophobicContact CB-CB 3.84Å
102	C	93.3	Very high	88.4	Confident	3 Å²	3	66 Å²	66	2%	0.02	32%	0.32	C	S	.	.			trans	-156.1	161.8	178.1	72.4	0	0	0	0	111	F50 L100 R104 C105	F50-C102 HydrophobicContact CD1-CB 3.84Å; F50-C102 HydrophobicContact CE1-CB 4.37Å; L100-C102 WeakPolarHBondContact CD1-O 3.42Å; C102-R104 VanDerWaalsContact C-N 3.34Å; C102-R104 PolarHBondContact O-N 3.3Å; C102-C105 PolarHBondContact O-N 2.96Å; C102-C105 PolarHBondContact SG-SG 3.17Å
103	L	92	Very high	87.2	Confident	30 Å²	30	74.4 Å²	74.4	16%	0.157	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-68.9	-30.3	-178.3	-67.2	171.1	0	0	0	113.2	N87 L88 K91 L100 C105 I106 Q107	N87-L103 HydrophobicContact CB-CD1 3.55Å; L88-L103 HydrophobicContact CB-CG 4.35Å; L88-L103 HydrophobicContact CD1-CD2 4.29Å; L88-L103 HydrophobicContact CD1-CG 4.3Å; K91-L103 HydrophobicContact CG-CD2 3.76Å; L100-L103 HydrophobicContact CD2-CD2 4.33Å; L103-C105 PolarHBondContact O-N 2.74Å; L103-C105 VanDerWaalsContact O-N 3.1Å; L103-I106 HydrophobicContact CD2-CD1 4.4Å; L103-I106 WeakPolarHBondContact O-CG1 3.18Å; L103-I106 PolarHBondContact O-N 3.11Å; L103-I106 VanDerWaalsContact O-N 3.08Å; L103-Q107 VanDerWaalsContact O-CG 3.31Å; L103-Q107 WeakPolarHBondContact O-CG 3.17Å; L103-Q107 PolarHBondContact O-N 3.19Å; L103-Q107 PolarHBondContact O-OE1 3.37Å
104	R	91.2	Very high	86.3	Confident	77 Å²	77	70 Å²	70	29%	0.291	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-56.7	-28.8	177.4	-70.6	-171.7	175.7	170.6	2.9	112.4	E46 F50 C102 I106 Q107 D110	E46-R104 IonicContact OE2-CZ 3.28Å; E46-R104 IonicContact OE2-NH1 3.87Å; E46-R104 PolarHBondContact OE2-NH1 3.31Å; E46-R104 IonicContact OE2-NH2 3.04Å; F50-R104 HydrophobicContact CE1-CG 4.33Å; F50-R104 HydrophobicContact CZ-CG 4.49Å; C102-R104 VanDerWaalsContact C-N 3.34Å; C102-R104 PolarHBondContact O-N 3.3Å; R104-I106 PolarHBondContact O-N 3.11Å; R104-I106 VanDerWaalsContact O-N 3.16Å; R104-Q107 PolarHBondContact O-N 3.19Å; R104-D110 HydrophobicContact CB-CB 4.2Å; R104-D110 HydrophobicContact CG-CB 4.3Å
105	C	89.6	Confident	85.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-68.6	-12.9	-179.4	-64.9	0	0	0	0	115.2	L100 C101 C102 L103 N116 C117 C119 R120 C134	L100-C105 HydrophobicContact CD1-CB 4.12Å; C101-C105 PolarHBondContact SG-SG 3.33Å; C102-C105 PolarHBondContact O-N 2.96Å; C102-C105 PolarHBondContact SG-SG 3.17Å; L103-C105 PolarHBondContact O-N 2.74Å; L103-C105 VanDerWaalsContact O-N 3.1Å; C105-N116 WeakPolarHBondContact O-CA 3.42Å; C105-C117 HydrophobicContact CB-CB 3.82Å; C105-C117 PolarHBondContact O-N 3.43Å; C105-C119 PolarHBondContact SG-SG 3.37Å; C105-R120 HydrophobicContact CB-CG 4.15Å; C105-C134 PolarHBondContact SG-SG 2.81Å
106	I	88.5	Confident	85.1	Confident	28 Å²	28	64 Å²	64	14%	0.144	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-128.8	7.6	-175.7	62.1	159.1	0	0	0	112.2	K91 Y97 L100 L103 R104 R120	K91-I106 HydrophobicContact CD-CD1 3.85Å; K91-I106 HydrophobicContact CG-CD1 3.94Å; Y97-I106 HydrophobicContact CD1-CD1 4.28Å; Y97-I106 HydrophobicContact CD1-CG2 4.13Å; Y97-I106 HydrophobicContact CE1-CB 4.31Å; Y97-I106 HydrophobicContact CE1-CD1 4.1Å; Y97-I106 HydrophobicContact CE1-CG2 3.7Å; L100-I106 HydrophobicContact CD1-CG2 3.56Å; L100-I106 HydrophobicContact CD2-CD1 3.7Å; L100-I106 HydrophobicContact CD2-CG1 4.11Å; L100-I106 HydrophobicContact CD2-CG2 4.4Å; L103-I106 HydrophobicContact CD2-CD1 4.4Å; L103-I106 WeakPolarHBondContact O-CG1 3.18Å; L103-I106 PolarHBondContact O-N 3.11Å; L103-I106 VanDerWaalsContact O-N 3.08Å; R104-I106 PolarHBondContact O-N 3.11Å; R104-I106 VanDerWaalsContact O-N 3.16Å; I106-R120 HydrophobicContact CG2-CG 4.37Å
107	Q	85.9	Confident	85	Confident	62 Å²	62	62.9 Å²	62.9	29%	0.29	32%	0.318	S	S	.	.			trans	-101.8	111.5	179.3	-75.5	176.3	-51.5	0	0	108.4	L103 R104 R109 D110	L103-Q107 VanDerWaalsContact O-CG 3.31Å; L103-Q107 WeakPolarHBondContact O-CG 3.17Å; L103-Q107 PolarHBondContact O-N 3.19Å; L103-Q107 PolarHBondContact O-OE1 3.37Å; R104-Q107 PolarHBondContact O-N 3.19Å; Q107-R109 HydrophobicContact CB-CG 4.45Å; Q107-R109 PolarHBondContact O-N 3.47Å; Q107-R109 VanDerWaalsContact O-N 3.1Å; Q107-D110 HydrophobicContact CB-CB 4.19Å; Q107-D110 VanDerWaalsContact CB-OD2 3.26Å; Q107-D110 WeakPolarHBondContact CB-OD2 3.24Å; Q107-D110 PolarHBondContact O-N 3.48Å; Q107-D110 PolarHBondContact OE1-OD2 3.39Å
108	S	79.4	Confident	84.7	Confident	78 Å²	78	62 Å²	62	55%	0.545	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-54.9	-31.7	-176.8	-60.8	0	0	0	0	114.1	D110 T111 G114	S108-D110 PolarHBondContact O-N 2.62Å; S108-T111 PolarHBondContact O-N 2.83Å; S108-T111 PolarHBondContact O-OG1 3.19Å; S108-G114 WeakPolarHBondContact CB-O 3.35Å; S108-G114 PolarHBondContact OG-O 3.33Å
109	R	80.3	Confident	84.6	Confident	202 Å²	202	58.2 Å²	58.2	76%	0.762	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-68.7	-21.1	177.1	72.2	-177.3	-177.1	-178.7	0.4	114	Q107	Q107-R109 HydrophobicContact CB-CG 4.45Å; Q107-R109 PolarHBondContact O-N 3.47Å; Q107-R109 VanDerWaalsContact O-N 3.1Å
110	D	76.2	Confident	84.5	Confident	61 Å²	61	56.7 Å²	56.7	33%	0.326	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-103	7.8	-174.3	-64.4	-67.7	0	0	0	111.2	R104 Q107 S108	R104-D110 HydrophobicContact CB-CB 4.2Å; R104-D110 HydrophobicContact CG-CB 4.3Å; Q107-D110 HydrophobicContact CB-CB 4.19Å; Q107-D110 VanDerWaalsContact CB-OD2 3.26Å; Q107-D110 WeakPolarHBondContact CB-OD2 3.24Å; Q107-D110 PolarHBondContact O-N 3.48Å; Q107-D110 PolarHBondContact OE1-OD2 3.39Å; S108-D110 PolarHBondContact O-N 2.62Å
111	T	72.1	Confident	84.2	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.141	31%	0.306	C	S	.	.	S	Bend	trans	-127.3	140.3	-179.8	66.7	0	0	0	0	112.1	S108 F113 G114 T115	S108-T111 PolarHBondContact O-N 2.83Å; S108-T111 PolarHBondContact O-OG1 3.19Å; T111-F113 PolarHBondContact O-N 2.9Å; T111-G114 PolarHBondContact O-N 2.7Å; T111-G114 PolarHBondContact OG1-N 2.81Å; T111-T115 VanDerWaalsContact CB-O 3.24Å; T111-T115 WeakPolarHBondContact CB-O 3.45Å; T111-T115 WeakPolarHBondContact CG2-O 3.26Å; T111-T115 PolarHBondContact OG1-N 2.96Å; T111-T115 PolarHBondContact OG1-O 3.47Å
112	N	68.1	Low	84	Confident	131 Å²	131	61.6 Å²	61.6	70%	0.701	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.1	-174.3	-63.2	-20.5	0	0	0	114
113	F	72.4	Confident	83.6	Confident	180 Å²	180	69.9 Å²	69.9	79%	0.789	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	6.7	-177.8	-59.1	-72.2	0	0	0	112.9	T111 T115	T111-F113 PolarHBondContact O-N 2.9Å; F113-T115 PolarHBondContact O-N 3.28Å; F113-T115 VanDerWaalsContact O-N 3.09Å
114	G	75.7	Confident	83.5	Confident	36 Å²	36	73.5 Å²	73.5	37%	0.371	39%	0.385	S	S	.	.	S	Bend	trans	66.3	7.3	-174.5	0	0	0	0	0	114.6	S108 T111	S108-G114 WeakPolarHBondContact CB-O 3.35Å; S108-G114 PolarHBondContact OG-O 3.33Å; T111-G114 PolarHBondContact O-N 2.7Å; T111-G114 PolarHBondContact OG1-N 2.81Å
115	T	80.8	Confident	83.3	Confident	84 Å²	84	77.7 Å²	77.7	52%	0.515	41%	0.406	S	S	.	.	S	Bend	trans	-114.8	-166.9	-176.1	59	0	0	0	0	111.6	T111 F113	T111-T115 VanDerWaalsContact CB-O 3.24Å; T111-T115 WeakPolarHBondContact CB-O 3.45Å; T111-T115 WeakPolarHBondContact CG2-O 3.26Å; T111-T115 PolarHBondContact OG1-N 2.96Å; T111-T115 PolarHBondContact OG1-O 3.47Å; F113-T115 PolarHBondContact O-N 3.28Å; F113-T115 VanDerWaalsContact O-N 3.09Å
116	N	82.3	Confident	83.3	Confident	84 Å²	84	79.2 Å²	79.2	45%	0.449	41%	0.413	S	S	.	.			trans	-70.6	151.3	177.3	-63.2	-47.5	0	0	0	111.7	C105 R120	C105-N116 WeakPolarHBondContact O-CA 3.42Å; N116-R120 HydrophobicContact CB-CB 3.85Å; N116-R120 HydrophobicContact CB-CG 4.33Å
117	C	88.4	Confident	83.3	Confident	12 Å²	12	84.8 Å²	84.8	8%	0.081	44%	0.439	C	S	.	.			trans	-63.6	154	174.6	-174.2	0	0	0	0	111.5	C105 C119 R120	C105-C117 HydrophobicContact CB-CB 3.82Å; C105-C117 PolarHBondContact O-N 3.43Å; C117-C119 PolarHBondContact O-N 3.38Å; C117-C119 VanDerWaalsContact SG-SG 3.66Å; C117-R120 WeakPolarHBondContact O-CB 3.39Å; C117-R120 PolarHBondContact O-N 3.25Å
118	V	87.5	Confident	83.3	Confident	54 Å²	54	91.5 Å²	91.5	33%	0.327	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-51.6	-31.5	177.7	66.9	0	0	0	0	113.1	R120 V121 V132 E133	V118-R120 PolarHBondContact O-N 2.98Å; V118-R120 VanDerWaalsContact O-N 3.14Å; V118-V121 WeakPolarHBondContact O-CB 3.29Å; V118-V121 WeakPolarHBondContact O-CG2 3.49Å; V118-V121 PolarHBondContact O-N 2.86Å; V118-V121 VanDerWaalsContact O-N 3.11Å; V118-V132 HydrophobicContact CG1-CG1 4.5Å; V118-E133 WeakPolarHBondContact CG1-O 3.16Å
119	C	90.5	Very high	83.7	Confident	0 Å²	0	91.3 Å²	91.3	0%	0	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-69.4	-8.1	177.1	65.1	0	0	0	0	114.5	C105 C117 V132 C134 C139 C142 S143	C105-C119 PolarHBondContact SG-SG 3.37Å; C117-C119 PolarHBondContact O-N 3.38Å; C117-C119 VanDerWaalsContact SG-SG 3.66Å; C119-V132 HydrophobicContact CB-CG1 3.88Å; C119-C134 HydrophobicContact CB-CB 3.79Å; C119-C134 VanDerWaalsContact SG-SG 3.61Å; C119-C139 VanDerWaalsContact CB-SG 3.6Å; C119-C142 CarbonylContact O-C 3.48Å; C119-C142 PolarHBondContact O-N 3.34Å; C119-C142 PolarHBondContact O-SG 3.13Å; C119-C142 PolarHBondContact SG-SG 3.28Å; C119-S143 PolarHBondContact O-N 3.08Å
120	R	91.6	Very high	84	Confident	35 Å²	35	86.3 Å²	86.3	13%	0.132	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-96	-0.9	174.1	-69.8	-68.5	-64.1	152.8	3.2	113	G96 C105 I106 N116 C117 V118 C142	G96-R120 VanDerWaalsContact O-CZ 3.28Å; G96-R120 PolarHBondContact O-NH1 2.73Å; G96-R120 PolarHBondContact O-NH2 2.92Å; C105-R120 HydrophobicContact CB-CG 4.15Å; I106-R120 HydrophobicContact CG2-CG 4.37Å; N116-R120 HydrophobicContact CB-CB 3.85Å; N116-R120 HydrophobicContact CB-CG 4.33Å; C117-R120 WeakPolarHBondContact O-CB 3.39Å; C117-R120 PolarHBondContact O-N 3.25Å; V118-R120 PolarHBondContact O-N 2.98Å; V118-R120 VanDerWaalsContact O-N 3.14Å; R120-C142 WeakPolarHBondContact CD-SG 3.49Å; R120-C142 PolarHBondContact NH1-O 3.05Å
121	V	89	Confident	84.5	Confident	51 Å²	51	88.4 Å²	88.4	31%	0.309	48%	0.479	S	S	.	.	S	Bend	trans	-79.2	124.2	175.4	-177.9	0	0	0	0	109.2	V118 K125 L126 S143	V118-V121 WeakPolarHBondContact O-CB 3.29Å; V118-V121 WeakPolarHBondContact O-CG2 3.49Å; V118-V121 PolarHBondContact O-N 2.86Å; V118-V121 VanDerWaalsContact O-N 3.11Å; V121-K125 HydrophobicContact CG1-CB 3.9Å; V121-L126 HydrophobicContact CB-CD2 3.98Å; V121-L126 HydrophobicContact CB-CG 4.45Å; V121-L126 HydrophobicContact CG1-CD2 3.63Å; V121-L126 HydrophobicContact CG1-CG 3.98Å; V121-S143 PolarHBondContact O-OG 3.45Å
122	P	88.6	Confident	85.3	Confident	62 Å²	62	88 Å²	88	40%	0.403	48%	0.477	S	S	.	.			trans	-57.5	143.9	176.4	-24.7	34.5	0	0	0	112.1	S124 K125	P122-S124 PolarHBondContact O-N 2.82Å; P122-S124 VanDerWaalsContact O-N 3.15Å; P122-K125 PolarHBondContact O-N 3.33Å
123	K	86.6	Confident	86.3	Confident	177 Å²	177	85.2 Å²	85.2	77%	0.77	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-54.8	-35.7	179.8	-69.9	-175.4	178.3	-179.4	0	113.2	K125 L126	K123-K125 PolarHBondContact O-N 3.35Å; K123-K125 VanDerWaalsContact O-N 3.11Å; K123-L126 PolarHBondContact O-N 2.99Å
124	S	88.4	Confident	87.1	Confident	106 Å²	106	76.6 Å²	76.6	74%	0.741	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-64.1	-12.2	176.6	63.2	0	0	0	0	114.8	P122	P122-S124 PolarHBondContact O-N 2.82Å; P122-S124 VanDerWaalsContact O-N 3.15Å
125	K	88.5	Confident	87.5	Confident	166 Å²	166	79.6 Å²	79.6	72%	0.722	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-109.5	3.6	177.7	-62.2	-63.5	-174.7	-177.3	0	112.1	V121 P122 K123	V121-K125 HydrophobicContact CG1-CB 3.9Å; P122-K125 PolarHBondContact O-N 3.33Å; K123-K125 PolarHBondContact O-N 3.35Å; K123-K125 VanDerWaalsContact O-N 3.11Å
126	L	87.6	Confident	87.9	Confident	31 Å²	31	76.3 Å²	76.3	16%	0.162	41%	0.407	C	S	.	.	S	Bend	trans	-100.2	148.3	174.4	-62.9	173.4	0	0	0	109.2	V121 K123 K130 V132	V121-L126 HydrophobicContact CB-CD2 3.98Å; V121-L126 HydrophobicContact CB-CG 4.45Å; V121-L126 HydrophobicContact CG1-CD2 3.63Å; V121-L126 HydrophobicContact CG1-CG 3.98Å; K123-L126 PolarHBondContact O-N 2.99Å; L126-K130 HydrophobicContact CB-CD 4.49Å; L126-K130 HydrophobicContact CD2-CD 4.11Å; L126-V132 HydrophobicContact CD1-CG2 3.23Å
127	E	89	Confident	88.3	Confident	145 Å²	145	72.5 Å²	72.5	68%	0.678	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-57.9	143.7	168.6	-69.1	151.4	-135.9	0	0	110.2	G129 K130	E127-G129 PolarHBondContact O-N 2.8Å; E127-K130 HydrophobicContact CB-CB 4.27Å; E127-K130 HydrophobicContact CB-CD 4.45Å; E127-K130 WeakPolarHBondContact O-CB 3.43Å; E127-K130 PolarHBondContact O-N 2.75Å; E127-K130 VanDerWaalsContact O-N 3.08Å
128	E	87.1	Confident	88.5	Confident	203 Å²	203	72 Å²	72	95%	0.949	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	135.9	177.3	-167.9	168.5	-162.2	0	0	110.4	K130	E128-K130 PolarHBondContact O-N 3.44Å
129	G	86.4	Confident	88.7	Confident	74 Å²	74	70.5 Å²	70.5	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-5.2	-175.4	0	0	0	0	0	115.5	E127 V131	E127-G129 PolarHBondContact O-N 2.8Å; G129-V131 PolarHBondContact O-N 3.11Å; G129-V131 VanDerWaalsContact O-N 3.13Å
130	K	87.6	Confident	88.7	Confident	98 Å²	98	77.8 Å²	77.8	43%	0.426	40%	0.402	S	S	.	.			trans	-64.4	115.8	178.3	-175.1	164.3	-177.1	165.2	0	111.7	L126 E127 E128 V132	L126-K130 HydrophobicContact CB-CD 4.49Å; L126-K130 HydrophobicContact CD2-CD 4.11Å; E127-K130 HydrophobicContact CB-CB 4.27Å; E127-K130 HydrophobicContact CB-CD 4.45Å; E127-K130 WeakPolarHBondContact O-CB 3.43Å; E127-K130 PolarHBondContact O-N 2.75Å; E127-K130 VanDerWaalsContact O-N 3.08Å; E128-K130 PolarHBondContact O-N 3.44Å; K130-V132 PolarHBondContact O-N 3.12Å
131	V	85.9	Confident	88.5	Confident	105 Å²	105	77.8 Å²	77.8	64%	0.636	41%	0.413	S	S	*	.			trans	-79.1	113.5	173.9	-178	0	0	0	0	109.3	G129	G129-V131 PolarHBondContact O-N 3.11Å; G129-V131 VanDerWaalsContact O-N 3.13Å
132	V	89.5	Confident	88.5	Confident	14 Å²	14	75.5 Å²	75.5	9%	0.085	40%	0.399	C	S	.	.			trans	-75.5	132.1	173.2	175.3	0	0	0	0	109.6	V118 C119 L126 K130 R140	V118-V132 HydrophobicContact CG1-CG1 4.5Å; C119-V132 HydrophobicContact CB-CG1 3.88Å; L126-V132 HydrophobicContact CD1-CG2 3.23Å; K130-V132 PolarHBondContact O-N 3.12Å; V132-R140 WeakPolarHBondContact O-CA 3.13Å; V132-R140 WeakPolarHBondContact O-CD 3.46Å
133	E	89.1	Confident	88.3	Confident	72 Å²	72	73.4 Å²	73.4	34%	0.336	39%	0.386	S	S	.	.			trans	-137.5	112.3	170	-169.3	167.3	87.9	0	0	109.6	W47 V118 Q135 R140	W47-E133 VanDerWaalsContact CH2-CD 3.43Å; W47-E133 HydrophobicContact CH2-CG 3.68Å; W47-E133 VanDerWaalsContact CH2-OE1 3.29Å; W47-E133 WeakPolarHBondContact CH2-OE1 3.22Å; W47-E133 HydrophobicContact CZ2-CG 4.25Å; W47-E133 HydrophobicContact CZ3-CG 4.26Å; V118-E133 WeakPolarHBondContact CG1-O 3.16Å; E133-Q135 PolarHBondContact O-N 3.11Å; E133-R140 IonicContact OE2-CZ 3.68Å; E133-R140 IonicContact OE2-NH1 2.82Å; E133-R140 PolarHBondContact OE2-NH1 3.09Å; E133-R140 IonicContact OE2-NH2 3.77Å
134	C	89.5	Confident	87.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	40%	0.4	C	S	.	.			trans	-64.6	125.9	175.4	179.7	0	0	0	0	110.3	C105 C119 S136 C137 G138 C139	C105-C134 PolarHBondContact SG-SG 2.81Å; C119-C134 HydrophobicContact CB-CB 3.79Å; C119-C134 VanDerWaalsContact SG-SG 3.61Å; C134-S136 PolarHBondContact O-N 3.27Å; C134-S136 PolarHBondContact SG-N 2.82Å; C134-C137 PolarHBondContact SG-N 3.01Å; C134-G138 WeakPolarHBondContact O-CA 3.13Å; C134-G138 PolarHBondContact O-N 3.05Å; C134-C139 PolarHBondContact N-O 3.15Å
135	Q	84.6	Confident	87.2	Confident	99 Å²	99	68.1 Å²	68.1	46%	0.463	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29	175.7	-65	-175.4	-18.4	0	0	112.8	W47 E133	W47-Q135 PolarHBondContact NE1-O 3.14Å; E133-Q135 PolarHBondContact O-N 3.11Å
136	S	88.3	Confident	87.1	Confident	15 Å²	15	62.9 Å²	62.9	11%	0.105	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-36.7	-175.2	-44.7	0	0	0	0	114.1	F50 C134	F50-S136 VanDerWaalsContact CD2-O 3.32Å; F50-S136 WeakPolarHBondContact CD2-O 3.43Å; C134-S136 PolarHBondContact O-N 3.27Å; C134-S136 PolarHBondContact SG-N 2.82Å
137	C	90.8	Very high	87.1	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.027	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	0.2	-174.1	70.1	0	0	0	0	114.7	W47 F50 R51 C101 C134 C139	W47-C137 VanDerWaalsContact CG-C 3.48Å; F50-C137 HydrophobicContact CB-CB 3.42Å; F50-C137 VanDerWaalsContact CB-CB 3.42Å; F50-C137 HydrophobicContact CD1-CB 4.44Å; F50-C137 HydrophobicContact CG-CB 4Å; R51-C137 PolarHBondContact NE-O 2.67Å; R51-C137 VanDerWaalsContact NE-O 3.11Å; C101-C137 PolarHBondContact SG-SG 3.13Å; C134-C137 PolarHBondContact SG-N 3.01Å; C137-C139 PolarHBondContact O-N 2.82Å
138	G	91.5	Very high	87	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.359	C	S	.	.			trans	63.9	16.6	-178.2	0	0	0	0	0	114.7	W47 R51 C134	W47-G138 VanDerWaalsContact CD2-CA 3.43Å; R51-G138 PolarHBondContact NH2-O 2.89Å; C134-G138 WeakPolarHBondContact O-CA 3.13Å; C134-G138 PolarHBondContact O-N 3.05Å
139	C	92.5	Very high	86.9	Confident	23 Å²	23	51.1 Å²	51.1	16%	0.155	32%	0.322	C	S	.	.			trans	-68.1	154.7	176.1	81.4	0	0	0	0	111.4	C101 C119 C134 C137 G141	C101-C139 HydrophobicContact CB-CB 4.18Å; C101-C139 PolarHBondContact SG-SG 3.11Å; C119-C139 VanDerWaalsContact CB-SG 3.6Å; C134-C139 PolarHBondContact N-O 3.15Å; C137-C139 PolarHBondContact O-N 2.82Å; C139-G141 PolarHBondContact O-N 3.11Å
140	R	89.7	Confident	87	Confident	153 Å²	153	49.5 Å²	49.5	58%	0.577	29%	0.293	S	S	*	.	S	Bend	trans	-87.9	19.9	178.9	-64	-64.6	-168.4	-152	-3.8	113.8	V132 E133	V132-R140 WeakPolarHBondContact O-CA 3.13Å; V132-R140 WeakPolarHBondContact O-CD 3.46Å; E133-R140 IonicContact OE2-CZ 3.68Å; E133-R140 IonicContact OE2-NH1 2.82Å; E133-R140 PolarHBondContact OE2-NH1 3.09Å; E133-R140 IonicContact OE2-NH2 3.77Å
141	G	89.1	Confident	86.9	Confident	35 Å²	35	46.1 Å²	46.1	36%	0.361	28%	0.283	S	S	.	.			trans	128.8	142.2	-172.7	0	0	0	0	0	112.2	C139	C139-G141 PolarHBondContact O-N 3.11Å
142	C	89.1	Confident	87	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.027	26%	0.256	C	S	.	.			trans	-146.3	11.3	174.7	67.6	0	0	0	0	111.4	N99 C101 C119 R120	N99-C142 VanDerWaalsContact O-CB 3.25Å; N99-C142 WeakPolarHBondContact O-CB 3.46Å; C101-C142 HydrophobicContact CB-CB 3.84Å; C119-C142 CarbonylContact O-C 3.48Å; C119-C142 PolarHBondContact O-N 3.34Å; C119-C142 PolarHBondContact O-SG 3.13Å; C119-C142 PolarHBondContact SG-SG 3.28Å; R120-C142 WeakPolarHBondContact CD-SG 3.49Å; R120-C142 PolarHBondContact NH1-O 3.05Å
143	S	83.6	Confident	86.8	Confident	17 Å²	17	43.8 Å²	43.8	12%	0.119	27%	0.27	C	S	.	.			trans	-63.5	144	156.1	62.4	0	0	0	0	107.8	C119 V121	C119-S143 PolarHBondContact O-N 3.08Å; V121-S143 PolarHBondContact O-OG 3.45Å
144	G	63.9	Low	86.6	Confident	104 Å²	104	41.3 Å²	41.3	100%	1.072	26%	0.264	S	S	*	.			trans	-43.1	0	171.7	0	0	0	0	0	112.3

Retrieved 144 of 144 residues in 31.3 ms (Link to these results)

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