A0A3Q0KK58_SCHMA Loading...

DUF4296 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KK58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 aa.

						>A0A3Q0KK58_SCHMA|A0A3Q0KK58
MYFNYLVAYRTIRSDEEMKHYSQDALTTRCQMESEIARNVFRDTIDYRTDDPYIEDLIDIWLRKCIRSKSINQRSIQKRPYYG
					

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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	58.1	Low	57.7	Low	211 Å²	211	80.4 Å²	80.4	100%	1.039	40%	0.402	S	S	*	.				0	-40.4	0	-130.9	174.6	-174.6	0	0	112.7	N4 Y5	M1-N4 PolarHBondContact O-N 3.3Å; M1-Y5 PolarHBondContact O-N 2.78Å
2	Y	58.7	Low	57.2	Low	70 Å²	70	85.5 Å²	85.5	28%	0.275	43%	0.429	S	S	.	.	H	α-helix	trans	-67.2	-35	-177	-159	-106.8	0	0	0	115.4	N4 Y5 L6 A37 V40	Y2-N4 PolarHBondContact O-N 3.19Å; Y2-Y5 HydrophobicContact CE2-CD1 4.43Å; Y2-Y5 CarbonylContact O-C 3.6Å; Y2-Y5 WeakPolarHBondContact O-CA 3.41Å; Y2-Y5 WeakPolarHBondContact O-CB 3.28Å; Y2-Y5 PolarHBondContact O-N 3.16Å; Y2-Y5 VanDerWaalsContact O-N 3.09Å; Y2-L6 HydrophobicContact CD1-CD1 3.67Å; Y2-L6 HydrophobicContact CD1-CG 4.02Å; Y2-L6 HydrophobicContact CE1-CD1 3.7Å; Y2-L6 HydrophobicContact CE1-CD2 4.15Å; Y2-L6 HydrophobicContact CE1-CG 3.9Å; Y2-L6 PolarHBondContact O-N 3.27Å; Y2-A37 HydrophobicContact CE1-CB 4.5Å; Y2-V40 HydrophobicContact CD1-CB 4.06Å; Y2-V40 HydrophobicContact CD1-CG1 3.83Å; Y2-V40 HydrophobicContact CD2-CG1 3.75Å; Y2-V40 HydrophobicContact CE1-CB 3.95Å; Y2-V40 HydrophobicContact CE1-CG1 4.04Å; Y2-V40 HydrophobicContact CE1-CG2 4Å; Y2-V40 HydrophobicContact CE2-CG1 3.97Å; Y2-V40 HydrophobicContact CE2-CG2 4.32Å; Y2-V40 HydrophobicContact CG-CB 4.41Å; Y2-V40 HydrophobicContact CG-CG1 3.67Å
3	F	58.4	Low	56.7	Low	42 Å²	42	88.6 Å²	88.6	18%	0.184	43%	0.433	C	S	.	.	H	α-helix	trans	-61.2	-43.2	175.8	-169	-102.8	0	0	0	112.1	Y5 L6 V7 F41 L57 W61	F3-Y5 VanDerWaalsContact C-N 3.25Å; F3-Y5 PolarHBondContact O-N 2.85Å; F3-L6 PolarHBondContact O-N 2.92Å; F3-V7 HydrophobicContact CD1-CG2 3.91Å; F3-V7 HydrophobicContact CE1-CG2 3.66Å; F3-V7 HydrophobicContact CZ-CG2 4.06Å; F3-V7 WeakPolarHBondContact O-CB 3.32Å; F3-V7 VanDerWaalsContact O-CG2 3.31Å; F3-V7 WeakPolarHBondContact O-CG2 3.16Å; F3-V7 PolarHBondContact O-N 3.01Å; F3-F41 HydrophobicContact CB-CE2 4.34Å; F3-F41 HydrophobicContact CB-CZ 3.84Å; F3-L57 HydrophobicContact CD2-CB 4.35Å; F3-L57 HydrophobicContact CE1-CD2 4.23Å; F3-L57 HydrophobicContact CE2-CB 3.78Å; F3-L57 WeakPolarHBondContact CE2-O 3.32Å; F3-L57 HydrophobicContact CZ-CB 3.88Å; F3-L57 HydrophobicContact CZ-CD2 4.12Å; F3-L57 HydrophobicContact CZ-CG 4.44Å; F3-W61 HydrophobicContact CE2-CB 4.11Å; F3-W61 HydrophobicContact CZ-CB 4.37Å
4	N	61.1	Low	56.5	Low	119 Å²	119	83.5 Å²	83.5	64%	0.636	41%	0.41	S	S	*	.	H	α-helix	trans	-63.3	-34	175.3	-68.9	-12.3	0	0	0	111.5	M1 Y2 A8	M1-N4 PolarHBondContact O-N 3.3Å; Y2-N4 PolarHBondContact O-N 3.19Å; N4-A8 WeakPolarHBondContact O-CB 3.28Å; N4-A8 PolarHBondContact O-N 3.04Å
5	Y	60.3	Low	56.3	Low	133 Å²	133	85 Å²	85	52%	0.522	42%	0.421	S	S	.	.	H	α-helix	trans	-67.2	-44.6	172.6	178.8	-94.4	0	0	0	111.9	M1 Y2 F3 V7 A8 Y9	M1-Y5 PolarHBondContact O-N 2.78Å; Y2-Y5 HydrophobicContact CE2-CD1 4.43Å; Y2-Y5 CarbonylContact O-C 3.6Å; Y2-Y5 WeakPolarHBondContact O-CA 3.41Å; Y2-Y5 WeakPolarHBondContact O-CB 3.28Å; Y2-Y5 PolarHBondContact O-N 3.16Å; Y2-Y5 VanDerWaalsContact O-N 3.09Å; F3-Y5 VanDerWaalsContact C-N 3.25Å; F3-Y5 PolarHBondContact O-N 2.85Å; Y5-V7 PolarHBondContact O-N 3.3Å; Y5-A8 PolarHBondContact O-N 2.72Å; Y5-Y9 WeakPolarHBondContact O-CA 3.3Å; Y5-Y9 WeakPolarHBondContact O-CB 3.44Å; Y5-Y9 PolarHBondContact O-N 2.9Å
6	L	59.2	Low	56.3	Low	14 Å²	14	89.4 Å²	89.4	7%	0.073	44%	0.44	C	S	.	.	H	α-helix	trans	-63.5	-41.8	176.9	-74	168.4	0	0	0	112.2	Y2 F3 R10 A37	Y2-L6 HydrophobicContact CD1-CD1 3.67Å; Y2-L6 HydrophobicContact CD1-CG 4.02Å; Y2-L6 HydrophobicContact CE1-CD1 3.7Å; Y2-L6 HydrophobicContact CE1-CD2 4.15Å; Y2-L6 HydrophobicContact CE1-CG 3.9Å; Y2-L6 PolarHBondContact O-N 3.27Å; F3-L6 PolarHBondContact O-N 2.92Å; L6-R10 WeakPolarHBondContact O-CB 3.27Å; L6-R10 WeakPolarHBondContact O-CG 3.17Å; L6-R10 PolarHBondContact O-N 3.49Å; L6-A37 HydrophobicContact CD1-CB 3.39Å
7	V	59.5	Low	56.5	Low	57 Å²	57	88.6 Å²	88.6	35%	0.345	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-48.4	174.2	174.1	0	0	0	0	110.2	F3 Y5 R10 T11	F3-V7 HydrophobicContact CD1-CG2 3.91Å; F3-V7 HydrophobicContact CE1-CG2 3.66Å; F3-V7 HydrophobicContact CZ-CG2 4.06Å; F3-V7 WeakPolarHBondContact O-CB 3.32Å; F3-V7 VanDerWaalsContact O-CG2 3.31Å; F3-V7 WeakPolarHBondContact O-CG2 3.16Å; F3-V7 PolarHBondContact O-N 3.01Å; Y5-V7 PolarHBondContact O-N 3.3Å; V7-R10 PolarHBondContact O-N 3.37Å; V7-T11 HydrophobicContact CG1-CG2 4.43Å; V7-T11 WeakPolarHBondContact O-CG2 3.41Å; V7-T11 PolarHBondContact O-N 3.45Å; V7-T11 PolarHBondContact O-OG1 2.76Å; V7-T11 VanDerWaalsContact O-OG1 3.09Å
8	A	54.1	Low	56.6	Low	40 Å²	40	84.5 Å²	84.5	33%	0.331	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-43	179.4	0	0	0	0	0	112.8	N4 Y5 R10 T11 I12	N4-A8 WeakPolarHBondContact O-CB 3.28Å; N4-A8 PolarHBondContact O-N 3.04Å; Y5-A8 PolarHBondContact O-N 2.72Å; A8-R10 VanDerWaalsContact C-N 3.3Å; A8-R10 PolarHBondContact O-N 2.84Å; A8-T11 VanDerWaalsContact CA-OG1 3.28Å; A8-T11 WeakPolarHBondContact CA-OG1 3.37Å; A8-T11 PolarHBondContact O-N 3.31Å; A8-T11 PolarHBondContact O-OG1 3.46Å; A8-I12 WeakPolarHBondContact O-CB 3.39Å; A8-I12 VanDerWaalsContact O-CG1 3.22Å; A8-I12 WeakPolarHBondContact O-CG1 3.43Å; A8-I12 PolarHBondContact O-N 2.93Å
9	Y	55.3	Low	56.7	Low	62 Å²	62	86.2 Å²	86.2	24%	0.243	42%	0.419	C	S	.	.	H	α-helix	trans	-60.5	-42.4	176.6	-176.5	-97.7	0	0	0	110.5	Y5 R13	Y5-Y9 WeakPolarHBondContact O-CA 3.3Å; Y5-Y9 WeakPolarHBondContact O-CB 3.44Å; Y5-Y9 PolarHBondContact O-N 2.9Å; Y9-R13 WeakPolarHBondContact O-CB 3.09Å; Y9-R13 PolarHBondContact O-N 3.35Å; Y9-R13 PolarHBondContact OH-NH1 2.91Å
10	R	57.4	Low	57	Low	27 Å²	27	90.5 Å²	90.5	10%	0.102	44%	0.438	C	S	.	.	H	α-helix	trans	-70.8	-41.8	175.5	-77.8	-69.7	-166.7	130.6	-7.2	112.8	L6 V7 A8 I12 S14 M18 E33 W61 C65	L6-R10 WeakPolarHBondContact O-CB 3.27Å; L6-R10 WeakPolarHBondContact O-CG 3.17Å; L6-R10 PolarHBondContact O-N 3.49Å; V7-R10 PolarHBondContact O-N 3.37Å; A8-R10 VanDerWaalsContact C-N 3.3Å; A8-R10 PolarHBondContact O-N 2.84Å; R10-I12 PolarHBondContact O-N 3.47Å; R10-S14 VanDerWaalsContact CD-CB 3.44Å; R10-S14 VanDerWaalsContact CD-OG 3.23Å; R10-S14 WeakPolarHBondContact CD-OG 3.28Å; R10-S14 PolarHBondContact NH1-OG 3.46Å; R10-S14 WeakPolarHBondContact O-CB 3.37Å; R10-S14 PolarHBondContact O-N 3.41Å; R10-S14 VanDerWaalsContact O-N 3.16Å; R10-M18 PolarHBondContact NH1-SD 2.71Å; R10-M18 VanDerWaalsContact NH2-CE 3.25Å; R10-E33 IonicContact CZ-OE2 3.21Å; R10-E33 IonicContact NE-OE2 2.85Å; R10-E33 PolarHBondContact NE-OE2 2.96Å; R10-E33 IonicContact NH2-OE1 3.59Å; R10-E33 IonicContact NH2-OE2 3.04Å; R10-E33 PolarHBondContact NH2-OE2 3.27Å; R10-W61 HydrophobicContact CG-CZ2 4.07Å; R10-C65 PolarHBondContact NH1-SG 3.43Å; R10-C65 PolarHBondContact NH2-SG 2.97Å
11	T	52.8	Low	57.3	Low	109 Å²	109	90.2 Å²	90.2	67%	0.669	43%	0.433	S	S	*	.	H	α-helix	trans	-66.2	-27.5	178.3	50.2	0	0	0	0	112.8	V7 A8	V7-T11 HydrophobicContact CG1-CG2 4.43Å; V7-T11 WeakPolarHBondContact O-CG2 3.41Å; V7-T11 PolarHBondContact O-N 3.45Å; V7-T11 PolarHBondContact O-OG1 2.76Å; V7-T11 VanDerWaalsContact O-OG1 3.09Å; A8-T11 VanDerWaalsContact CA-OG1 3.28Å; A8-T11 WeakPolarHBondContact CA-OG1 3.37Å; A8-T11 PolarHBondContact O-N 3.31Å; A8-T11 PolarHBondContact O-OG1 3.46Å
12	I	51.5	Low	58	Low	142 Å²	142	83.2 Å²	83.2	73%	0.728	41%	0.405	S	S	*	.	H	α-helix	trans	-95.7	-40.2	-175.8	-62.7	168.7	0	0	0	112.4	A8 R10	A8-I12 WeakPolarHBondContact O-CB 3.39Å; A8-I12 VanDerWaalsContact O-CG1 3.22Å; A8-I12 WeakPolarHBondContact O-CG1 3.43Å; A8-I12 PolarHBondContact O-N 2.93Å; R10-I12 PolarHBondContact O-N 3.47Å
13	R	50.7	Low	58.6	Low	126 Å²	126	82.9 Å²	82.9	48%	0.475	41%	0.406	S	S	.	.	H	α-helix	trans	-107.5	-15.9	-172.8	-92.4	-179.9	75.4	174.4	2.5	115.8	Y9 E17	Y9-R13 WeakPolarHBondContact O-CB 3.09Å; Y9-R13 PolarHBondContact O-N 3.35Å; Y9-R13 PolarHBondContact OH-NH1 2.91Å; R13-E17 IonicContact CZ-OE1 3.78Å; R13-E17 IonicContact NE-OE1 3.46Å; R13-E17 IonicContact NH2-OE1 3.2Å; R13-E17 PolarHBondContact NH2-OE1 2.97Å
14	S	53.6	Low	59.3	Low	17 Å²	17	86.7 Å²	86.7	12%	0.119	43%	0.428	C	S	.	.	H	α-helix	trans	-90.4	-15.8	-162	-167.7	0	0	0	0	115.9	R10 M18	R10-S14 VanDerWaalsContact CD-CB 3.44Å; R10-S14 VanDerWaalsContact CD-OG 3.23Å; R10-S14 WeakPolarHBondContact CD-OG 3.28Å; R10-S14 PolarHBondContact NH1-OG 3.46Å; R10-S14 WeakPolarHBondContact O-CB 3.37Å; R10-S14 PolarHBondContact O-N 3.41Å; R10-S14 VanDerWaalsContact O-N 3.16Å; S14-M18 WeakPolarHBondContact O-CB 3.24Å; S14-M18 WeakPolarHBondContact O-CG 3.17Å; S14-M18 PolarHBondContact O-N 2.81Å; S14-M18 WeakPolarHBondContact OG-CE 3.36Å; S14-M18 VanDerWaalsContact OG-CG 3.24Å; S14-M18 WeakPolarHBondContact OG-CG 3.14Å; S14-M18 PolarHBondContact OG-SD 3.07Å
15	D	54.2	Low	60.1	Low	106 Å²	106	82.6 Å²	82.6	57%	0.567	41%	0.411	S	S	*	.	H	α-helix	trans	-74.8	-30.7	-174.3	-150.7	-86.4	0	0	0	112.3	K19	D15-K19 WeakPolarHBondContact O-CD 3.32Å; D15-K19 WeakPolarHBondContact O-CE 3.47Å; D15-K19 WeakPolarHBondContact O-CG 3.41Å; D15-K19 VanDerWaalsContact OD1-CE 3.31Å; D15-K19 WeakPolarHBondContact OD1-CE 3.14Å; D15-K19 IonicContact OD1-NZ 3.58Å; D15-K19 PolarHBondContact OD1-NZ 2.8Å; D15-K19 VanDerWaalsContact OD1-NZ 3.08Å
16	E	56.5	Low	60.8	Low	156 Å²	156	76.3 Å²	76.3	73%	0.729	39%	0.387	S	S	*	.	H	α-helix	trans	-87	-49	178.8	-68.1	-166	156.4	0	0	113	M18 K19	E16-M18 PolarHBondContact O-N 2.99Å; E16-K19 PolarHBondContact O-N 3.48Å
17	E	59	Low	61.6	Low	76 Å²	76	77.1 Å²	77.1	36%	0.355	39%	0.392	S	S	.	.	H	α-helix	trans	-63.6	-29.1	-178.4	-71.6	-175.1	-170.4	0	0	112	R13 Y21 R29	R13-E17 IonicContact CZ-OE1 3.78Å; R13-E17 IonicContact NE-OE1 3.46Å; R13-E17 IonicContact NH2-OE1 3.2Å; R13-E17 PolarHBondContact NH2-OE1 2.97Å; E17-Y21 WeakPolarHBondContact O-CD2 3.35Å; E17-Y21 WeakPolarHBondContact O-CE2 3.5Å; E17-R29 IonicContact OE2-NH1 3.8Å; E17-R29 IonicContact OE2-NH2 2.71Å; E17-R29 PolarHBondContact OE2-NH2 2.94Å
18	M	58.3	Low	62.5	Low	14 Å²	14	78 Å²	78	7%	0.069	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-88.3	-8.6	-172.5	-62.2	-145.6	-177.5	0	0	115.7	R10 S14 E16 H20 Y21 L26	R10-M18 PolarHBondContact NH1-SD 2.71Å; R10-M18 VanDerWaalsContact NH2-CE 3.25Å; S14-M18 WeakPolarHBondContact O-CB 3.24Å; S14-M18 WeakPolarHBondContact O-CG 3.17Å; S14-M18 PolarHBondContact O-N 2.81Å; S14-M18 WeakPolarHBondContact OG-CE 3.36Å; S14-M18 VanDerWaalsContact OG-CG 3.24Å; S14-M18 WeakPolarHBondContact OG-CG 3.14Å; S14-M18 PolarHBondContact OG-SD 3.07Å; E16-M18 PolarHBondContact O-N 2.99Å; M18-H20 PolarHBondContact O-N 3.2Å; M18-Y21 PolarHBondContact O-N 3.46Å; M18-L26 HydrophobicContact CB-CD2 3.78Å; M18-L26 HydrophobicContact CG-CD2 4.05Å; M18-L26 HydrophobicContact SD-CD2 3.67Å
19	K	59	Low	63.7	Low	117 Å²	117	78.4 Å²	78.4	51%	0.509	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27.2	174.3	-78.1	166.6	-175.3	158.8	0	112.6	D15 E16	D15-K19 WeakPolarHBondContact O-CD 3.32Å; D15-K19 WeakPolarHBondContact O-CE 3.47Å; D15-K19 WeakPolarHBondContact O-CG 3.41Å; D15-K19 VanDerWaalsContact OD1-CE 3.31Å; D15-K19 WeakPolarHBondContact OD1-CE 3.14Å; D15-K19 IonicContact OD1-NZ 3.58Å; D15-K19 PolarHBondContact OD1-NZ 2.8Å; D15-K19 VanDerWaalsContact OD1-NZ 3.08Å; E16-K19 PolarHBondContact O-N 3.48Å
20	H	62.8	Low	64.9	Low	171 Å²	171	75.4 Å²	75.4	79%	0.792	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-93.1	-7.5	-174.4	-63.7	-66.1	0	0	0	114.9	M18	M18-H20 PolarHBondContact O-N 3.2Å
21	Y	62.5	Low	66	Low	85 Å²	85	78.6 Å²	78.6	33%	0.333	40%	0.395	S	S	.	.	S	Bend	trans	-82.9	139.1	-178.7	-75.2	-96.7	0	0	0	111.1	E17 M18 A25 L26 R29 K69	E17-Y21 WeakPolarHBondContact O-CD2 3.35Å; E17-Y21 WeakPolarHBondContact O-CE2 3.5Å; M18-Y21 PolarHBondContact O-N 3.46Å; Y21-A25 HydrophobicContact CD1-CB 3.74Å; Y21-L26 HydrophobicContact CD2-CD2 4.46Å; Y21-L26 HydrophobicContact CG-CD2 4.1Å; Y21-R29 VanDerWaalsContact CZ-NH1 3.33Å; Y21-R29 PolarHBondContact OH-NH1 3.34Å; Y21-K69 VanDerWaalsContact O-CE 3.27Å; Y21-K69 WeakPolarHBondContact O-CE 3.31Å; Y21-K69 PolarHBondContact O-NZ 2.72Å
22	S	72.7	Confident	67.5	Low	64 Å²	64	78.7 Å²	78.7	45%	0.448	39%	0.389	S	S	.	.			trans	-61.4	159.9	165.9	69.3	0	0	0	0	110	D24 A25 L26 K69	S22-D24 PolarHBondContact O-N 3.22Å; S22-A25 PolarHBondContact O-N 3.28Å; S22-A25 VanDerWaalsContact OG-CB 3.28Å; S22-A25 WeakPolarHBondContact OG-CB 3.5Å; S22-A25 PolarHBondContact OG-N 2.97Å; S22-A25 VanDerWaalsContact OG-N 3.16Å; S22-L26 PolarHBondContact O-N 3.05Å; S22-K69 VanDerWaalsContact C-NZ 3.25Å
23	Q	71.9	Confident	68.8	Low	64 Å²	64	73.1 Å²	73.1	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-38	-179.6	-177.2	65	25	0	0	110.7	L26 T27 I66 K69	Q23-L26 PolarHBondContact O-N 2.95Å; Q23-T27 WeakPolarHBondContact O-CB 3.47Å; Q23-T27 PolarHBondContact O-N 3.16Å; Q23-T27 PolarHBondContact O-OG1 3.44Å; Q23-I66 PolarHBondContact NE2-O 3.37Å; Q23-K69 HydrophobicContact CB-CD 4.32Å
24	D	73.8	Confident	70.2	Confident	121 Å²	121	67.2 Å²	67.2	65%	0.647	34%	0.338	S	S	*	.	H	α-helix	trans	-67.4	-41.1	177.6	-56.5	-36.5	0	0	0	111.8	S22 T27 T28	S22-D24 PolarHBondContact O-N 3.22Å; D24-T27 PolarHBondContact O-N 3.47Å; D24-T28 WeakPolarHBondContact O-CB 3.43Å; D24-T28 PolarHBondContact O-N 3.1Å; D24-T28 PolarHBondContact O-OG1 2.92Å
25	A	76.6	Confident	71.5	Confident	34 Å²	34	72 Å²	72	28%	0.281	36%	0.358	S	S	.	.	H	α-helix	trans	-70	-35.1	178.5	0	0	0	0	0	112.1	Y21 S22 R29	Y21-A25 HydrophobicContact CD1-CB 3.74Å; S22-A25 PolarHBondContact O-N 3.28Å; S22-A25 VanDerWaalsContact OG-CB 3.28Å; S22-A25 WeakPolarHBondContact OG-CB 3.5Å; S22-A25 PolarHBondContact OG-N 2.97Å; S22-A25 VanDerWaalsContact OG-N 3.16Å; A25-R29 WeakPolarHBondContact O-CB 3.38Å; A25-R29 PolarHBondContact O-N 3.23Å
26	L	75	Confident	72.8	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-47.5	169.4	-74.3	177.9	0	0	0	111.2	M18 Y21 S22 Q23 T28 R29 C30 K69	M18-L26 HydrophobicContact CB-CD2 3.78Å; M18-L26 HydrophobicContact CG-CD2 4.05Å; M18-L26 HydrophobicContact SD-CD2 3.67Å; Y21-L26 HydrophobicContact CD2-CD2 4.46Å; Y21-L26 HydrophobicContact CG-CD2 4.1Å; S22-L26 PolarHBondContact O-N 3.05Å; Q23-L26 PolarHBondContact O-N 2.95Å; L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.34Å; L26-R29 PolarHBondContact O-N 3.42Å; L26-C30 VanDerWaalsContact O-CB 3.28Å; L26-C30 WeakPolarHBondContact O-CB 3.41Å; L26-C30 PolarHBondContact O-N 3.25Å; L26-C30 PolarHBondContact O-SG 3.34Å; L26-K69 HydrophobicContact CD1-CB 3.8Å; L26-K69 HydrophobicContact CD1-CD 3.75Å; L26-K69 HydrophobicContact CD1-CG 3.8Å
27	T	76	Confident	73.7	Confident	30 Å²	30	63.2 Å²	63.2	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-46.9	-179.5	-56.1	0	0	0	0	110.5	Q23 D24 R29 C30 Q31 I66	Q23-T27 WeakPolarHBondContact O-CB 3.47Å; Q23-T27 PolarHBondContact O-N 3.16Å; Q23-T27 PolarHBondContact O-OG1 3.44Å; D24-T27 PolarHBondContact O-N 3.47Å; T27-R29 PolarHBondContact O-N 2.96Å; T27-C30 PolarHBondContact O-N 3.08Å; T27-Q31 HydrophobicContact CG2-CG 4.46Å; T27-Q31 WeakPolarHBondContact O-CB 3.49Å; T27-Q31 VanDerWaalsContact O-CG 3.28Å; T27-Q31 WeakPolarHBondContact O-CG 3.3Å; T27-Q31 PolarHBondContact O-N 3.08Å; T27-I66 HydrophobicContact CG2-CD1 4.14Å; T27-I66 HydrophobicContact CG2-CG1 4.38Å
28	T	79.9	Confident	74.5	Confident	77 Å²	77	62 Å²	62	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-46.6	176.8	-53.8	0	0	0	0	111.4	D24 L26 Q31 M32	D24-T28 WeakPolarHBondContact O-CB 3.43Å; D24-T28 PolarHBondContact O-N 3.1Å; D24-T28 PolarHBondContact O-OG1 2.92Å; L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.34Å; T28-Q31 PolarHBondContact O-N 3.4Å; T28-M32 WeakPolarHBondContact O-CB 3.45Å; T28-M32 PolarHBondContact O-N 3.31Å
29	R	79	Confident	75.5	Confident	47 Å²	47	65.3 Å²	65.3	18%	0.177	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-42.4	178.6	-175.3	170.4	178.9	174.5	-0.5	112	E17 Y21 A25 L26 T27 M32 E33	E17-R29 IonicContact OE2-NH1 3.8Å; E17-R29 IonicContact OE2-NH2 2.71Å; E17-R29 PolarHBondContact OE2-NH2 2.94Å; Y21-R29 VanDerWaalsContact CZ-NH1 3.33Å; Y21-R29 PolarHBondContact OH-NH1 3.34Å; A25-R29 WeakPolarHBondContact O-CB 3.38Å; A25-R29 PolarHBondContact O-N 3.23Å; L26-R29 PolarHBondContact O-N 3.42Å; T27-R29 PolarHBondContact O-N 2.96Å; R29-M32 PolarHBondContact O-N 2.93Å; R29-E33 IonicContact NE-OE1 3.08Å; R29-E33 PolarHBondContact NE-OE1 3.49Å; R29-E33 WeakPolarHBondContact O-CB 3.3Å; R29-E33 WeakPolarHBondContact O-CG 2.96Å; R29-E33 PolarHBondContact O-N 2.89Å
30	C	79	Confident	76.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-44.2	175.4	-68.6	0	0	0	0	111.5	L26 T27 E33 S34 W61 L62 C65 I66	L26-C30 VanDerWaalsContact O-CB 3.28Å; L26-C30 WeakPolarHBondContact O-CB 3.41Å; L26-C30 PolarHBondContact O-N 3.25Å; L26-C30 PolarHBondContact O-SG 3.34Å; T27-C30 PolarHBondContact O-N 3.08Å; C30-E33 PolarHBondContact O-N 2.64Å; C30-S34 WeakPolarHBondContact O-CB 3.05Å; C30-S34 PolarHBondContact O-N 3.36Å; C30-W61 VanDerWaalsContact O-CZ3 3.3Å; C30-W61 WeakPolarHBondContact O-CZ3 3.33Å; C30-L62 HydrophobicContact CB-CD1 3.85Å; C30-C65 VanDerWaalsContact CA-SG 3.56Å; C30-C65 HydrophobicContact CB-CB 3.76Å; C30-C65 WeakPolarHBondContact CB-SG 3.4Å; C30-C65 WeakPolarHBondContact SG-CB 3.42Å; C30-C65 CovalentContact SG-SG 2.01Å; C30-C65 PolarHBondContact SG-SG 2.87Å; C30-I66 HydrophobicContact CB-CG1 4.11Å
31	Q	81.9	Confident	76.5	Confident	93 Å²	93	54 Å²	54	44%	0.435	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-49.6	176.5	-76	172.7	-29.9	0	0	111	T27 T28 E33 S34 E35 L62	T27-Q31 HydrophobicContact CG2-CG 4.46Å; T27-Q31 WeakPolarHBondContact O-CB 3.49Å; T27-Q31 VanDerWaalsContact O-CG 3.28Å; T27-Q31 WeakPolarHBondContact O-CG 3.3Å; T27-Q31 PolarHBondContact O-N 3.08Å; T28-Q31 PolarHBondContact O-N 3.4Å; Q31-E33 PolarHBondContact O-N 2.93Å; Q31-S34 WeakPolarHBondContact O-CB 3.23Å; Q31-S34 PolarHBondContact O-N 3.48Å; Q31-S34 VanDerWaalsContact O-N 3.08Å; Q31-S34 PolarHBondContact O-OG 2.75Å; Q31-E35 WeakPolarHBondContact O-CG 3.47Å; Q31-E35 PolarHBondContact O-N 3.44Å; Q31-L62 HydrophobicContact CG-CD1 4.17Å
32	M	83.3	Confident	76.9	Confident	111 Å²	111	56.8 Å²	56.8	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-47	177.2	-176.6	-174.7	-70.6	0	0	112.1	T28 R29 S34 E35 I36	T28-M32 WeakPolarHBondContact O-CB 3.45Å; T28-M32 PolarHBondContact O-N 3.31Å; R29-M32 PolarHBondContact O-N 2.93Å; M32-S34 VanDerWaalsContact C-N 3.3Å; M32-S34 PolarHBondContact O-N 3.16Å; M32-E35 PolarHBondContact O-N 2.84Å; M32-I36 HydrophobicContact CG-CD1 4.12Å; M32-I36 VanDerWaalsContact O-CG1 3.3Å; M32-I36 WeakPolarHBondContact O-CG1 3.41Å; M32-I36 PolarHBondContact O-N 3.39Å
33	E	79.8	Confident	76.8	Confident	26 Å²	26	60.4 Å²	60.4	12%	0.121	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-35	176.8	-79.5	177.1	-161.9	0	0	112.1	R10 R29 C30 Q31 A37 W61	R10-E33 IonicContact CZ-OE2 3.21Å; R10-E33 IonicContact NE-OE2 2.85Å; R10-E33 PolarHBondContact NE-OE2 2.96Å; R10-E33 IonicContact NH2-OE1 3.59Å; R10-E33 IonicContact NH2-OE2 3.04Å; R10-E33 PolarHBondContact NH2-OE2 3.27Å; R29-E33 IonicContact NE-OE1 3.08Å; R29-E33 PolarHBondContact NE-OE1 3.49Å; R29-E33 WeakPolarHBondContact O-CB 3.3Å; R29-E33 WeakPolarHBondContact O-CG 2.96Å; R29-E33 PolarHBondContact O-N 2.89Å; C30-E33 PolarHBondContact O-N 2.64Å; Q31-E33 PolarHBondContact O-N 2.93Å; E33-A37 WeakPolarHBondContact O-CB 3.37Å; E33-A37 PolarHBondContact O-N 2.98Å; E33-W61 HydrophobicContact CB-CH2 3.47Å; E33-W61 VanDerWaalsContact CB-CH2 3.47Å; E33-W61 HydrophobicContact CB-CZ2 4.31Å; E33-W61 HydrophobicContact CB-CZ3 4.17Å; E33-W61 HydrophobicContact CG-CH2 4.5Å; E33-W61 WeakPolarHBondContact OE2-CH2 3.49Å; E33-W61 WeakPolarHBondContact OE2-CZ2 3.09Å
34	S	78.7	Confident	76.5	Confident	2 Å²	2	62 Å²	62	1%	0.014	32%	0.317	C	S	.	.	H	α-helix	trans	-66.9	-38.5	174.5	76	0	0	0	0	112.5	C30 Q31 M32 A37 R38	C30-S34 WeakPolarHBondContact O-CB 3.05Å; C30-S34 PolarHBondContact O-N 3.36Å; Q31-S34 WeakPolarHBondContact O-CB 3.23Å; Q31-S34 PolarHBondContact O-N 3.48Å; Q31-S34 VanDerWaalsContact O-N 3.08Å; Q31-S34 PolarHBondContact O-OG 2.75Å; M32-S34 VanDerWaalsContact C-N 3.3Å; M32-S34 PolarHBondContact O-N 3.16Å; S34-A37 WeakPolarHBondContact O-CB 3.41Å; S34-A37 PolarHBondContact O-N 2.01Å; S34-R38 WeakPolarHBondContact O-CG 3.38Å; S34-R38 PolarHBondContact O-N 3.09Å; S34-R38 PolarHBondContact OG-NH1 3.34Å
35	E	82.4	Confident	75.8	Confident	116 Å²	116	60.2 Å²	60.2	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-42.2	176.1	-72.2	175.7	-179	0	0	111.5	Q31 M32 A37 R38 N39	Q31-E35 WeakPolarHBondContact O-CG 3.47Å; Q31-E35 PolarHBondContact O-N 3.44Å; M32-E35 PolarHBondContact O-N 2.84Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 3.05Å; E35-R38 WeakPolarHBondContact O-CB 3.46Å; E35-R38 PolarHBondContact O-N 3.46Å; E35-N39 PolarHBondContact O-N 3.37Å
36	I	81.2	Confident	74.9	Confident	76 Å²	76	65.8 Å²	65.8	39%	0.39	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-44.3	172.9	-66.9	165.5	0	0	0	109.9	M32 R38 N39 V40	M32-I36 HydrophobicContact CG-CD1 4.12Å; M32-I36 VanDerWaalsContact O-CG1 3.3Å; M32-I36 WeakPolarHBondContact O-CG1 3.41Å; M32-I36 PolarHBondContact O-N 3.39Å; I36-R38 PolarHBondContact O-N 3.34Å; I36-N39 PolarHBondContact O-N 3.44Å; I36-V40 HydrophobicContact CG2-CG2 4.34Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.5Å; I36-V40 PolarHBondContact O-N 3.41Å
37	A	75.1	Confident	73.9	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-48.8	176.4	0	0	0	0	0	111.5	Y2 L6 E33 S34 E35 N39 V40 F41 I58	Y2-A37 HydrophobicContact CE1-CB 4.5Å; L6-A37 HydrophobicContact CD1-CB 3.39Å; E33-A37 WeakPolarHBondContact O-CB 3.37Å; E33-A37 PolarHBondContact O-N 2.98Å; S34-A37 WeakPolarHBondContact O-CB 3.41Å; S34-A37 PolarHBondContact O-N 2.01Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 3.05Å; A37-N39 VanDerWaalsContact C-N 3.35Å; A37-N39 PolarHBondContact O-N 3.31Å; A37-V40 PolarHBondContact O-N 3.05Å; A37-F41 WeakPolarHBondContact O-CB 2.98Å; A37-F41 WeakPolarHBondContact O-CD2 3.22Å; A37-F41 PolarHBondContact O-N 2.73Å; A37-I58 HydrophobicContact CB-CD1 4.38Å
38	R	76.6	Confident	72.8	Confident	50 Å²	50	76.9 Å²	76.9	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-56.6	-47.6	177	-73.9	178.6	173.4	107.6	2.7	111.8	S34 E35 I36 F41 R42 E55 I58 D59	S34-R38 WeakPolarHBondContact O-CG 3.38Å; S34-R38 PolarHBondContact O-N 3.09Å; S34-R38 PolarHBondContact OG-NH1 3.34Å; E35-R38 WeakPolarHBondContact O-CB 3.46Å; E35-R38 PolarHBondContact O-N 3.46Å; I36-R38 PolarHBondContact O-N 3.34Å; R38-F41 PolarHBondContact O-N 3.5Å; R38-R42 WeakPolarHBondContact O-CB 3.34Å; R38-R42 VanDerWaalsContact O-CG 3.28Å; R38-R42 WeakPolarHBondContact O-CG 3.49Å; R38-R42 PolarHBondContact O-N 2.85Å; R38-E55 IonicContact CZ-OE2 3.3Å; R38-E55 VanDerWaalsContact CZ-OE2 3.3Å; R38-E55 IonicContact NE-OE1 3.4Å; R38-E55 PolarHBondContact NE-OE1 2.87Å; R38-E55 IonicContact NE-OE2 2.8Å; R38-E55 PolarHBondContact NE-OE2 3.4Å; R38-E55 IonicContact NH2-OE2 2.87Å; R38-E55 PolarHBondContact NH2-OE2 2.99Å; R38-I58 HydrophobicContact CB-CD1 4.45Å; R38-I58 HydrophobicContact CG-CD1 3.54Å; R38-I58 HydrophobicContact CG-CG2 4.37Å; R38-D59 IonicContact NH2-OD1 2.99Å; R38-D59 PolarHBondContact NH2-OD1 3.04Å
39	N	77.6	Confident	71.4	Confident	84 Å²	84	78.3 Å²	78.3	45%	0.449	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-44.6	179.9	-69.7	-17.9	0	0	0	111.6	E35 I36 A37 F41 R42 D43	E35-N39 PolarHBondContact O-N 3.37Å; I36-N39 PolarHBondContact O-N 3.44Å; A37-N39 VanDerWaalsContact C-N 3.35Å; A37-N39 PolarHBondContact O-N 3.31Å; N39-F41 VanDerWaalsContact C-N 3.31Å; N39-F41 PolarHBondContact O-N 3.04Å; N39-R42 WeakPolarHBondContact O-CB 3.28Å; N39-R42 PolarHBondContact O-N 2.85Å; N39-R42 VanDerWaalsContact O-N 3.16Å; N39-D43 WeakPolarHBondContact O-CB 3.45Å; N39-D43 VanDerWaalsContact O-CG 3.32Å; N39-D43 PolarHBondContact O-N 3.39Å
40	V	74.3	Confident	70.3	Confident	36 Å²	36	82.7 Å²	82.7	22%	0.218	41%	0.406	C	S	.	.	H	α-helix	trans	-62.9	-39.4	176.5	173.6	0	0	0	0	111.3	Y2 I36 A37 R42 D43 T44	Y2-V40 HydrophobicContact CD1-CB 4.06Å; Y2-V40 HydrophobicContact CD1-CG1 3.83Å; Y2-V40 HydrophobicContact CD2-CG1 3.75Å; Y2-V40 HydrophobicContact CE1-CB 3.95Å; Y2-V40 HydrophobicContact CE1-CG1 4.04Å; Y2-V40 HydrophobicContact CE1-CG2 4Å; Y2-V40 HydrophobicContact CE2-CG1 3.97Å; Y2-V40 HydrophobicContact CE2-CG2 4.32Å; Y2-V40 HydrophobicContact CG-CB 4.41Å; Y2-V40 HydrophobicContact CG-CG1 3.67Å; I36-V40 HydrophobicContact CG2-CG2 4.34Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.5Å; I36-V40 PolarHBondContact O-N 3.41Å; A37-V40 PolarHBondContact O-N 3.05Å; V40-R42 VanDerWaalsContact C-N 3.34Å; V40-D43 PolarHBondContact O-N 3.33Å; V40-T44 HydrophobicContact CG1-CG2 4.01Å; V40-T44 WeakPolarHBondContact O-CB 3.23Å; V40-T44 WeakPolarHBondContact O-CG2 3.09Å; V40-T44 PolarHBondContact O-N 2.93Å; V40-T44 PolarHBondContact O-OG1 3.47Å
41	F	68.9	Low	69.6	Low	14 Å²	14	86.4 Å²	86.4	6%	0.061	43%	0.426	C	S	.	.	H	α-helix	trans	-64.3	-39.2	175	-85.6	-64.8	0	0	0	112.6	F3 A37 R38 N39 I45 Y47 I54 I58	F3-F41 HydrophobicContact CB-CE2 4.34Å; F3-F41 HydrophobicContact CB-CZ 3.84Å; A37-F41 WeakPolarHBondContact O-CB 2.98Å; A37-F41 WeakPolarHBondContact O-CD2 3.22Å; A37-F41 PolarHBondContact O-N 2.73Å; R38-F41 PolarHBondContact O-N 3.5Å; N39-F41 VanDerWaalsContact C-N 3.31Å; N39-F41 PolarHBondContact O-N 3.04Å; F41-I45 HydrophobicContact CD1-CD1 4.02Å; F41-I45 PolarHBondContact O-N 3.34Å; F41-Y47 HydrophobicContact CB-CE2 4.46Å; F41-I54 HydrophobicContact CB-CG2 4.38Å; F41-I54 HydrophobicContact CD1-CG2 4.27Å; F41-I54 HydrophobicContact CD2-CG2 4.03Å; F41-I54 HydrophobicContact CE2-CG2 4.46Å; F41-I54 HydrophobicContact CG-CG2 3.96Å; F41-I58 HydrophobicContact CD2-CD1 4.13Å
42	R	70.5	Confident	69.1	Low	144 Å²	144	86.2 Å²	86.2	54%	0.543	43%	0.432	S	S	.	.	H	α-helix	trans	-65.9	-36.1	174.8	-74.1	173	175.9	-169.2	-2.5	113	R38 N39 V40 I45 Y47	R38-R42 WeakPolarHBondContact O-CB 3.34Å; R38-R42 VanDerWaalsContact O-CG 3.28Å; R38-R42 WeakPolarHBondContact O-CG 3.49Å; R38-R42 PolarHBondContact O-N 2.85Å; N39-R42 WeakPolarHBondContact O-CB 3.28Å; N39-R42 PolarHBondContact O-N 2.85Å; N39-R42 VanDerWaalsContact O-N 3.16Å; V40-R42 VanDerWaalsContact C-N 3.34Å; R42-I45 VanDerWaalsContact O-O 3.05Å; R42-Y47 HydrophobicContact CG-CD1 4.38Å; R42-Y47 HydrophobicContact CG-CG 4.48Å
43	D	71.3	Confident	68.6	Low	140 Å²	140	87.9 Å²	87.9	75%	0.749	43%	0.434	S	S	*	.	H	α-helix	trans	-82.9	-32.5	-177.6	-70.6	-14.4	0	0	0	113.1	N39 V40	N39-D43 WeakPolarHBondContact O-CB 3.45Å; N39-D43 VanDerWaalsContact O-CG 3.32Å; N39-D43 PolarHBondContact O-N 3.39Å; V40-D43 PolarHBondContact O-N 3.33Å
44	T	65.7	Low	68.2	Low	99 Å²	99	87.9 Å²	87.9	61%	0.607	43%	0.434	S	S	*	.	H	α-helix	trans	-90.1	-29.3	-172.7	51.4	0	0	0	0	114.5	V40	V40-T44 HydrophobicContact CG1-CG2 4.01Å; V40-T44 WeakPolarHBondContact O-CB 3.23Å; V40-T44 WeakPolarHBondContact O-CG2 3.09Å; V40-T44 PolarHBondContact O-N 2.93Å; V40-T44 PolarHBondContact O-OG1 3.47Å
45	I	59.4	Low	68	Low	83 Å²	83	90.4 Å²	90.4	43%	0.426	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	137.4	175	-55.9	177.7	0	0	0	104	F41 R42 Y47	F41-I45 HydrophobicContact CD1-CD1 4.02Å; F41-I45 PolarHBondContact O-N 3.34Å; R42-I45 VanDerWaalsContact O-O 3.05Å; I45-Y47 HydrophobicContact CB-CD2 4.4Å; I45-Y47 WeakPolarHBondContact O-CB 3.36Å; I45-Y47 PolarHBondContact O-N 2.96Å
46	D	57.9	Low	67.8	Low	151 Å²	151	89.4 Å²	89.4	81%	0.807	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	76.9	165.7	-152.3	1.3	0	0	0	106	R48	D46-R48 PolarHBondContact O-N 3.32Å
47	Y	54.1	Low	67.7	Low	51 Å²	51	87.5 Å²	87.5	20%	0.2	43%	0.434	C	S	.	.			trans	-78.7	64.4	-162.3	-160.7	-85.8	0	0	0	106.5	F41 R42 I45 T49 I54	F41-Y47 HydrophobicContact CB-CE2 4.46Å; R42-Y47 HydrophobicContact CG-CD1 4.38Å; R42-Y47 HydrophobicContact CG-CG 4.48Å; I45-Y47 HydrophobicContact CB-CD2 4.4Å; I45-Y47 WeakPolarHBondContact O-CB 3.36Å; I45-Y47 PolarHBondContact O-N 2.96Å; Y47-T49 VanDerWaalsContact C-N 3.26Å; Y47-T49 PolarHBondContact O-N 2.85Å; Y47-I54 HydrophobicContact CE2-CB 4.41Å; Y47-I54 HydrophobicContact CE2-CG1 4.42Å; Y47-I54 HydrophobicContact CE2-CG2 4.34Å
48	R	51.4	Low	67.8	Low	212 Å²	212	87.5 Å²	87.5	80%	0.8	43%	0.434	S	S	*	.			trans	-59.5	102.4	159.8	-78.5	-170.4	177.9	-165.6	-0.1	105.8	D46	D46-R48 PolarHBondContact O-N 3.32Å
49	T	50.7	Low	68	Low	107 Å²	107	88.1 Å²	88.1	66%	0.656	44%	0.441	S	S	*	.	S	Bend	trans	65.2	103.5	146.3	44.9	0	0	0	0	115.7	Y47 D51	Y47-T49 VanDerWaalsContact C-N 3.26Å; Y47-T49 PolarHBondContact O-N 2.85Å; T49-D51 PolarHBondContact O-N 3.44Å; T49-D51 VanDerWaalsContact O-N 3.11Å
50	D	57.4	Low	68.1	Low	140 Å²	140	88.1 Å²	88.1	75%	0.749	44%	0.44	S	S	*	.			trans	54.2	44.3	140.8	-50.1	-40	0	0	0	116.3	P52	D50-P52 WeakPolarHBondContact O-CD 3.28Å; D50-P52 VanDerWaalsContact O-N 3.07Å
51	D	63.3	Low	68.3	Low	78 Å²	78	87.4 Å²	87.4	42%	0.417	43%	0.434	S	S	.	.			trans	-70.7	104.5	171.3	-169.3	-23.2	0	0	0	108.6	T49 Y53 I54	T49-D51 PolarHBondContact O-N 3.44Å; T49-D51 VanDerWaalsContact O-N 3.11Å; D51-Y53 PolarHBondContact O-N 3.32Å; D51-Y53 WeakPolarHBondContact OD1-CB 3.44Å; D51-Y53 PolarHBondContact OD1-N 2.97Å; D51-I54 HydrophobicContact CB-CG1 4.49Å; D51-I54 PolarHBondContact O-N 2.91Å
52	P	71.5	Confident	68.8	Low	88 Å²	88	88.2 Å²	88.2	57%	0.571	44%	0.438	S	S	*	.	H	α-helix	trans	-61	-22.8	-175.8	28.8	-36	0	0	0	111.3	D50 D56	D50-P52 WeakPolarHBondContact O-CD 3.28Å; D50-P52 VanDerWaalsContact O-N 3.07Å; P52-D56 VanDerWaalsContact O-CB 3.26Å; P52-D56 WeakPolarHBondContact O-CB 3.49Å; P52-D56 PolarHBondContact O-N 3.4Å
53	Y	73.6	Confident	69.1	Low	147 Å²	147	90.2 Å²	90.2	58%	0.576	45%	0.446	S	S	*	.	H	α-helix	trans	-66.2	-40.9	-179.4	-177.5	-105.5	0	0	0	112.8	D51 L57	D51-Y53 PolarHBondContact O-N 3.32Å; D51-Y53 WeakPolarHBondContact OD1-CB 3.44Å; D51-Y53 PolarHBondContact OD1-N 2.97Å; Y53-L57 HydrophobicContact CD1-CD1 3.95Å; Y53-L57 HydrophobicContact CE1-CD1 3.39Å; Y53-L57 HydrophobicContact CE1-CG 4.16Å; Y53-L57 VanDerWaalsContact O-CG 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.46Å; Y53-L57 PolarHBondContact O-N 2.9Å
54	I	70.1	Confident	69.3	Low	25 Å²	25	90.9 Å²	90.9	13%	0.128	44%	0.442	C	S	.	.	H	α-helix	trans	-72.7	-41.2	-178.7	-62.1	-62.3	0	0	0	110.5	F41 Y47 D51 L57 I58	F41-I54 HydrophobicContact CB-CG2 4.38Å; F41-I54 HydrophobicContact CD1-CG2 4.27Å; F41-I54 HydrophobicContact CD2-CG2 4.03Å; F41-I54 HydrophobicContact CE2-CG2 4.46Å; F41-I54 HydrophobicContact CG-CG2 3.96Å; Y47-I54 HydrophobicContact CE2-CB 4.41Å; Y47-I54 HydrophobicContact CE2-CG1 4.42Å; Y47-I54 HydrophobicContact CE2-CG2 4.34Å; D51-I54 HydrophobicContact CB-CG1 4.49Å; D51-I54 PolarHBondContact O-N 2.91Å; I54-L57 PolarHBondContact O-N 3.39Å; I54-I58 HydrophobicContact CG2-CD1 4.04Å; I54-I58 WeakPolarHBondContact O-CG1 3.11Å; I54-I58 PolarHBondContact O-N 3.28Å
55	E	74.1	Confident	69.6	Low	55 Å²	55	86.5 Å²	86.5	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-43.2	174.2	-73.9	-61.5	146.9	0	0	111.3	R38 L57 I58 D59	R38-E55 IonicContact CZ-OE2 3.3Å; R38-E55 VanDerWaalsContact CZ-OE2 3.3Å; R38-E55 IonicContact NE-OE1 3.4Å; R38-E55 PolarHBondContact NE-OE1 2.87Å; R38-E55 IonicContact NE-OE2 2.8Å; R38-E55 PolarHBondContact NE-OE2 3.4Å; R38-E55 IonicContact NH2-OE2 2.87Å; R38-E55 PolarHBondContact NH2-OE2 2.99Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.31Å; E55-I58 PolarHBondContact O-N 2.8Å; E55-D59 WeakPolarHBondContact O-CB 3.37Å; E55-D59 PolarHBondContact O-N 3.29Å
56	D	79.9	Confident	70.3	Confident	96 Å²	96	84.8 Å²	84.8	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-57.6	-42.5	173.9	-82.5	-15.9	0	0	0	111.8	P52 D59 I60	P52-D56 VanDerWaalsContact O-CB 3.26Å; P52-D56 WeakPolarHBondContact O-CB 3.49Å; P52-D56 PolarHBondContact O-N 3.4Å; D56-D59 PolarHBondContact O-N 3.04Å; D56-I60 WeakPolarHBondContact O-CB 3.33Å; D56-I60 WeakPolarHBondContact O-CD1 3.1Å; D56-I60 WeakPolarHBondContact O-CG1 3.34Å; D56-I60 PolarHBondContact O-N 2.85Å
57	L	77.3	Confident	70.8	Confident	35 Å²	35	85.7 Å²	85.7	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-65	-42	177.4	-76.5	180	0	0	0	112.5	F3 Y53 I54 E55 D59 W61	F3-L57 HydrophobicContact CD2-CB 4.35Å; F3-L57 HydrophobicContact CE1-CD2 4.23Å; F3-L57 HydrophobicContact CE2-CB 3.78Å; F3-L57 WeakPolarHBondContact CE2-O 3.32Å; F3-L57 HydrophobicContact CZ-CB 3.88Å; F3-L57 HydrophobicContact CZ-CD2 4.12Å; F3-L57 HydrophobicContact CZ-CG 4.44Å; Y53-L57 HydrophobicContact CD1-CD1 3.95Å; Y53-L57 HydrophobicContact CE1-CD1 3.39Å; Y53-L57 HydrophobicContact CE1-CG 4.16Å; Y53-L57 VanDerWaalsContact O-CG 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.46Å; Y53-L57 PolarHBondContact O-N 2.9Å; I54-L57 PolarHBondContact O-N 3.39Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.31Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-W61 VanDerWaalsContact O-CB 3.32Å; L57-W61 WeakPolarHBondContact O-CB 3.31Å; L57-W61 PolarHBondContact O-N 2.94Å
58	I	77.1	Confident	71.1	Confident	3 Å²	3	85.4 Å²	85.4	2%	0.015	40%	0.404	C	S	.	.	H	α-helix	trans	-65.9	-40.2	176.9	-66.8	171.9	0	0	0	110.3	A37 R38 F41 I54 E55 W61 L62	A37-I58 HydrophobicContact CB-CD1 4.38Å; R38-I58 HydrophobicContact CB-CD1 4.45Å; R38-I58 HydrophobicContact CG-CD1 3.54Å; R38-I58 HydrophobicContact CG-CG2 4.37Å; F41-I58 HydrophobicContact CD2-CD1 4.13Å; I54-I58 HydrophobicContact CG2-CD1 4.04Å; I54-I58 WeakPolarHBondContact O-CG1 3.11Å; I54-I58 PolarHBondContact O-N 3.28Å; E55-I58 PolarHBondContact O-N 2.8Å; I58-W61 CarbonylContact O-C 3.6Å; I58-W61 WeakPolarHBondContact O-CB 3.42Å; I58-W61 PolarHBondContact O-N 3.43Å; I58-L62 WeakPolarHBondContact O-CB 3.28Å; I58-L62 PolarHBondContact O-N 2.78Å
59	D	80.7	Confident	71.3	Confident	62 Å²	62	77.3 Å²	77.3	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-69.8	-41	177.9	-86.3	5.9	0	0	0	112.6	R38 E55 D56 L57 W61 L62 R63	R38-D59 IonicContact NH2-OD1 2.99Å; R38-D59 PolarHBondContact NH2-OD1 3.04Å; E55-D59 WeakPolarHBondContact O-CB 3.37Å; E55-D59 PolarHBondContact O-N 3.29Å; D56-D59 PolarHBondContact O-N 3.04Å; L57-D59 VanDerWaalsContact C-N 3.34Å; D59-W61 VanDerWaalsContact C-N 3.26Å; D59-W61 PolarHBondContact O-N 3.3Å; D59-L62 PolarHBondContact O-N 3.48Å; D59-R63 WeakPolarHBondContact O-CB 3.33Å; D59-R63 VanDerWaalsContact O-CG 3.28Å; D59-R63 WeakPolarHBondContact O-CG 3.37Å; D59-R63 PolarHBondContact O-N 2.96Å
60	I	80.4	Confident	71.3	Confident	85 Å²	85	74.7 Å²	74.7	44%	0.436	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-43.8	171.2	-72.5	165.2	0	0	0	109.8	D56 K64	D56-I60 WeakPolarHBondContact O-CB 3.33Å; D56-I60 WeakPolarHBondContact O-CD1 3.1Å; D56-I60 WeakPolarHBondContact O-CG1 3.34Å; D56-I60 PolarHBondContact O-N 2.85Å; I60-K64 HydrophobicContact CG2-CD 4.43Å; I60-K64 WeakPolarHBondContact O-CG 3.48Å; I60-K64 PolarHBondContact O-N 3.3Å
61	W	78.1	Confident	71	Confident	21 Å²	21	73.6 Å²	73.6	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-46.2	177.2	178	91.3	0	0	0	111.5	F3 R10 C30 E33 L57 I58 D59 R63 K64 C65	F3-W61 HydrophobicContact CE2-CB 4.11Å; F3-W61 HydrophobicContact CZ-CB 4.37Å; R10-W61 HydrophobicContact CG-CZ2 4.07Å; C30-W61 VanDerWaalsContact O-CZ3 3.3Å; C30-W61 WeakPolarHBondContact O-CZ3 3.33Å; E33-W61 HydrophobicContact CB-CH2 3.47Å; E33-W61 VanDerWaalsContact CB-CH2 3.47Å; E33-W61 HydrophobicContact CB-CZ2 4.31Å; E33-W61 HydrophobicContact CB-CZ3 4.17Å; E33-W61 HydrophobicContact CG-CH2 4.5Å; E33-W61 WeakPolarHBondContact OE2-CH2 3.49Å; E33-W61 WeakPolarHBondContact OE2-CZ2 3.09Å; L57-W61 VanDerWaalsContact O-CB 3.32Å; L57-W61 WeakPolarHBondContact O-CB 3.31Å; L57-W61 PolarHBondContact O-N 2.94Å; I58-W61 CarbonylContact O-C 3.6Å; I58-W61 WeakPolarHBondContact O-CB 3.42Å; I58-W61 PolarHBondContact O-N 3.43Å; D59-W61 VanDerWaalsContact C-N 3.26Å; D59-W61 PolarHBondContact O-N 3.3Å; W61-R63 VanDerWaalsContact C-N 3.33Å; W61-R63 PolarHBondContact O-N 3.05Å; W61-K64 PolarHBondContact O-N 3.36Å; W61-K64 VanDerWaalsContact O-N 3.12Å; W61-C65 HydrophobicContact CH2-CB 4.36Å; W61-C65 HydrophobicContact CZ2-CB 4.48Å; W61-C65 HydrophobicContact CZ3-CB 4.42Å; W61-C65 VanDerWaalsContact O-CB 3.23Å; W61-C65 WeakPolarHBondContact O-CB 3.35Å; W61-C65 PolarHBondContact O-N 2.89Å
62	L	79.2	Confident	70.1	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-45	178	-178.5	63.5	0	0	0	111.2	C30 Q31 I58 D59 K64 C65 I66	C30-L62 HydrophobicContact CB-CD1 3.85Å; Q31-L62 HydrophobicContact CG-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CB 3.28Å; I58-L62 PolarHBondContact O-N 2.78Å; D59-L62 PolarHBondContact O-N 3.48Å; L62-K64 PolarHBondContact O-N 2.65Å; L62-C65 WeakPolarHBondContact O-CB 3.38Å; L62-C65 PolarHBondContact O-N 2.8Å; L62-I66 HydrophobicContact CD1-CD1 3.92Å; L62-I66 HydrophobicContact CD1-CG1 4.44Å; L62-I66 HydrophobicContact CG-CD1 3.96Å; L62-I66 WeakPolarHBondContact O-CG1 3.32Å; L62-I66 PolarHBondContact O-N 3.12Å
63	R	78	Confident	68.9	Low	187 Å²	187	74 Å²	74	71%	0.706	35%	0.347	S	S	*	.	H	α-helix	trans	-60.2	-45.1	174.9	-73.2	175.8	-175.8	-140.8	3	111.9	D59 W61 R67	D59-R63 WeakPolarHBondContact O-CB 3.33Å; D59-R63 VanDerWaalsContact O-CG 3.28Å; D59-R63 WeakPolarHBondContact O-CG 3.37Å; D59-R63 PolarHBondContact O-N 2.96Å; W61-R63 VanDerWaalsContact C-N 3.33Å; W61-R63 PolarHBondContact O-N 3.05Å; R63-R67 WeakPolarHBondContact O-CB 3.45Å; R63-R67 PolarHBondContact O-N 3.09Å
64	K	75	Confident	67.6	Low	153 Å²	153	76.9 Å²	76.9	67%	0.665	36%	0.357	S	S	*	.	H	α-helix	trans	-65.8	-39.9	177.3	-76.4	-178.5	177.1	-178.9	0	112	I60 W61 L62 R67 S68	I60-K64 HydrophobicContact CG2-CD 4.43Å; I60-K64 WeakPolarHBondContact O-CG 3.48Å; I60-K64 PolarHBondContact O-N 3.3Å; W61-K64 PolarHBondContact O-N 3.36Å; W61-K64 VanDerWaalsContact O-N 3.12Å; L62-K64 PolarHBondContact O-N 2.65Å; K64-R67 PolarHBondContact O-N 3.49Å; K64-S68 PolarHBondContact O-N 3.36Å
65	C	73.3	Confident	66.5	Low	7 Å²	7	79.9 Å²	79.9	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-58.9	-52.3	179.7	-169.5	0	0	0	0	111.5	R10 C30 W61 L62 S68	R10-C65 PolarHBondContact NH1-SG 3.43Å; R10-C65 PolarHBondContact NH2-SG 2.97Å; C30-C65 VanDerWaalsContact CA-SG 3.56Å; C30-C65 HydrophobicContact CB-CB 3.76Å; C30-C65 WeakPolarHBondContact CB-SG 3.4Å; C30-C65 WeakPolarHBondContact SG-CB 3.42Å; C30-C65 CovalentContact SG-SG 2.01Å; C30-C65 PolarHBondContact SG-SG 2.87Å; W61-C65 HydrophobicContact CH2-CB 4.36Å; W61-C65 HydrophobicContact CZ2-CB 4.48Å; W61-C65 HydrophobicContact CZ3-CB 4.42Å; W61-C65 VanDerWaalsContact O-CB 3.23Å; W61-C65 WeakPolarHBondContact O-CB 3.35Å; W61-C65 PolarHBondContact O-N 2.89Å; L62-C65 WeakPolarHBondContact O-CB 3.38Å; L62-C65 PolarHBondContact O-N 2.8Å; C65-S68 WeakPolarHBondContact O-CB 3.14Å; C65-S68 PolarHBondContact O-N 2.88Å; C65-S68 PolarHBondContact O-OG 2.85Å
66	I	72.7	Confident	65.1	Low	47 Å²	47	83.4 Å²	83.4	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-67.4	-37.3	178.7	-63.2	165.4	0	0	0	111.2	Q23 T27 C30 L62 S68	Q23-I66 PolarHBondContact NE2-O 3.37Å; T27-I66 HydrophobicContact CG2-CD1 4.14Å; T27-I66 HydrophobicContact CG2-CG1 4.38Å; C30-I66 HydrophobicContact CB-CG1 4.11Å; L62-I66 HydrophobicContact CD1-CD1 3.92Å; L62-I66 HydrophobicContact CD1-CG1 4.44Å; L62-I66 HydrophobicContact CG-CD1 3.96Å; L62-I66 WeakPolarHBondContact O-CG1 3.32Å; L62-I66 PolarHBondContact O-N 3.12Å; I66-S68 VanDerWaalsContact C-N 3.32Å; I66-S68 PolarHBondContact O-N 3.33Å
67	R	68.4	Low	63.3	Low	171 Å²	171	86.1 Å²	86.1	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-76.2	-15.5	-177.9	-163.8	174.1	-175	-180	1.8	113.9	R63 K64 K69 S70 I71	R63-R67 WeakPolarHBondContact O-CB 3.45Å; R63-R67 PolarHBondContact O-N 3.09Å; K64-R67 PolarHBondContact O-N 3.49Å; R67-K69 PolarHBondContact O-N 3.09Å; R67-S70 WeakPolarHBondContact CG-OG 3.43Å; R67-S70 PolarHBondContact O-N 2.61Å; R67-S70 PolarHBondContact O-OG 3.19Å; R67-I71 PolarHBondContact O-N 3.43Å
68	S	61.3	Low	61.5	Low	45 Å²	45	93.6 Å²	93.6	32%	0.315	44%	0.44	S	S	.	.	H	α-helix	trans	-52.7	-30.9	176.4	68.3	0	0	0	0	112.5	K64 C65 I66	K64-S68 PolarHBondContact O-N 3.36Å; C65-S68 WeakPolarHBondContact O-CB 3.14Å; C65-S68 PolarHBondContact O-N 2.88Å; C65-S68 PolarHBondContact O-OG 2.85Å; I66-S68 VanDerWaalsContact C-N 3.32Å; I66-S68 PolarHBondContact O-N 3.33Å
69	K	55.4	Low	60	Low	41 Å²	41	104.3 Å²	104.3	18%	0.178	48%	0.481	C	S	.	.	H	α-helix	trans	-74.8	-30.3	173.9	-140.8	-169.4	-164.7	171.9	0	114.4	Y21 S22 Q23 L26 R67 I71 N72 Q73	Y21-K69 VanDerWaalsContact O-CE 3.27Å; Y21-K69 WeakPolarHBondContact O-CE 3.31Å; Y21-K69 PolarHBondContact O-NZ 2.72Å; S22-K69 VanDerWaalsContact C-NZ 3.25Å; Q23-K69 HydrophobicContact CB-CD 4.32Å; L26-K69 HydrophobicContact CD1-CB 3.8Å; L26-K69 HydrophobicContact CD1-CD 3.75Å; L26-K69 HydrophobicContact CD1-CG 3.8Å; R67-K69 PolarHBondContact O-N 3.09Å; K69-I71 VanDerWaalsContact C-N 3.27Å; K69-I71 PolarHBondContact O-N 3.35Å; K69-N72 PolarHBondContact O-N 2.9Å; K69-Q73 WeakPolarHBondContact O-CB 3Å; K69-Q73 PolarHBondContact O-N 2.9Å
70	S	50.5	Low	58.2	Low	52 Å²	52	106 Å²	106	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-70	-27.2	-177.5	98.2	0	0	0	0	112.2	R67 R74	R67-S70 WeakPolarHBondContact CG-OG 3.43Å; R67-S70 PolarHBondContact O-N 2.61Å; R67-S70 PolarHBondContact O-OG 3.19Å; S70-R74 PolarHBondContact O-N 3.2Å
71	I	51.3	Low	56.4	Low	117 Å²	117	113 Å²	113	60%	0.6	52%	0.517	S	S	*	.	H	α-helix	trans	-78.1	-38	176.8	-58.9	178.3	0	0	0	109.8	R67 K69 S75	R67-I71 PolarHBondContact O-N 3.43Å; K69-I71 VanDerWaalsContact C-N 3.27Å; K69-I71 PolarHBondContact O-N 3.35Å; I71-S75 PolarHBondContact O-N 3.28Å
72	N	45.1	Very low	55.1	Low	60 Å²	60	122 Å²	122	32%	0.321	55%	0.553	S	S	.	*	H	α-helix	trans	-75.9	-25.8	175.6	-78.6	-23.9	0	0	0	114.1	K69 S75 I76	K69-N72 PolarHBondContact O-N 2.9Å; N72-S75 PolarHBondContact O-OG 3.01Å; N72-S75 VanDerWaalsContact O-OG 3.05Å; N72-I76 WeakPolarHBondContact O-CD1 3.26Å; N72-I76 VanDerWaalsContact O-CG1 3.32Å; N72-I76 WeakPolarHBondContact O-CG1 3.14Å; N72-I76 PolarHBondContact O-N 2.84Å
73	Q	45.9	Very low	53.7	Low	115 Å²	115	127.9 Å²	127.9	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-76	-27.5	172.8	-80.3	-174.4	-32.8	0	0	113.1	K69 Q77	K69-Q73 WeakPolarHBondContact O-CB 3Å; K69-Q73 PolarHBondContact O-N 2.9Å; Q73-Q77 PolarHBondContact O-N 3Å
74	R	45.3	Very low	52.5	Low	207 Å²	207	125 Å²	125	78%	0.781	62%	0.617	S	S	*	*	H	α-helix	trans	-75	-23.5	174	-99.9	-176.9	177.4	175.3	-0.3	113.5	S70	S70-R74 PolarHBondContact O-N 3.2Å
75	S	47.4	Very low	51.3	Low	88 Å²	88	123.5 Å²	123.5	62%	0.615	61%	0.614	S	S	*	*	H	α-helix	trans	-85.3	-18	173.8	56.2	0	0	0	0	113.6	I71 N72	I71-S75 PolarHBondContact O-N 3.28Å; N72-S75 PolarHBondContact O-OG 3.01Å; N72-S75 VanDerWaalsContact O-OG 3.05Å
76	I	44.1	Very low	50	Low	130 Å²	130	129.9 Å²	129.9	67%	0.667	65%	0.646	S	S	*	*	S	Bend	trans	-97.1	5.3	178	-59.4	168.7	0	0	0	112.1	N72 K78	N72-I76 WeakPolarHBondContact O-CD1 3.26Å; N72-I76 VanDerWaalsContact O-CG1 3.32Å; N72-I76 WeakPolarHBondContact O-CG1 3.14Å; N72-I76 PolarHBondContact O-N 2.84Å; I76-K78 PolarHBondContact O-N 3.19Å
77	Q	42.1	Very low	48.7	Very low	153 Å²	153	134.8 Å²	134.8	72%	0.715	67%	0.67	S	S	*	*	S	Bend	trans	-70.9	83.8	162.9	-78.1	-175.8	2.1	0	0	109.6	Q73 R79	Q73-Q77 PolarHBondContact O-N 3Å; Q77-R79 PolarHBondContact O-N 3.11Å
78	K	40.9	Very low	47.5	Very low	191 Å²	191	132.6 Å²	132.6	83%	0.83	67%	0.671	S	S	*	*			trans	1.1	104.6	155.5	-62.5	-179.6	178.4	-177.6	0	113	I76 P80	I76-K78 PolarHBondContact O-N 3.19Å; K78-P80 WeakPolarHBondContact O-CD 3.3Å
79	R	45.7	Very low	46.6	Very low	229 Å²	229	138.4 Å²	138.4	86%	0.864	70%	0.695	S	S	*	*			trans	-57.2	124.6	150.6	-74.7	-170.7	179.1	-155	0.6	106.2	Q77 Y81	Q77-R79 PolarHBondContact O-N 3.11Å; R79-Y81 PolarHBondContact O-N 2.98Å; R79-Y81 VanDerWaalsContact O-N 3.1Å
80	P	43.1	Very low	45.9	Very low	98 Å²	98	145.4 Å²	145.4	64%	0.636	73%	0.732	S	S	*	*			trans	-64	115.4	167.1	26.6	-29.2	0	0	0	106.5	K78 Y82	K78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-Y82 HydrophobicContact CB-CD2 4.06Å; P80-Y82 HydrophobicContact CB-CE2 4Å; P80-Y82 HydrophobicContact CG-CD2 4.16Å; P80-Y82 HydrophobicContact CG-CE2 4.02Å; P80-Y82 PolarHBondContact O-N 3.05Å
81	Y	41.6	Very low	45.6	Very low	230 Å²	230	152.5 Å²	152.5	90%	0.902	76%	0.76	S	S	*	*			trans	-63.1	97.3	158.1	-93.1	-95.3	0	0	0	105.7	R79	R79-Y81 PolarHBondContact O-N 2.98Å; R79-Y81 VanDerWaalsContact O-N 3.1Å
82	Y	51.2	Low	45.1	Very low	211 Å²	211	155.5 Å²	155.5	83%	0.827	77%	0.774	S	S	*	*			trans	-73.9	135.8	152.5	-82	-90.2	0	0	0	106.6	P80	P80-Y82 HydrophobicContact CB-CD2 4.06Å; P80-Y82 HydrophobicContact CB-CE2 4Å; P80-Y82 HydrophobicContact CG-CD2 4.16Å; P80-Y82 HydrophobicContact CG-CE2 4.02Å; P80-Y82 PolarHBondContact O-N 3.05Å
83	G	48.7	Very low	45.1	Very low	154 Å²	154	164.2 Å²	164.2	100%	1.588	82%	0.815	S	S	*	*			trans	-66.7	0	-166.2	0	0	0	0	0	116.5

Retrieved 83 of 83 residues in 70.7 ms (Link to these results)

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