A0A5K4FAQ3_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession A0A5K4FAQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 aa.

						>A0A5K4FAQ3_SCHMA|A0A5K4FAQ3
MYNSIYSILLISSLLYILCEGIILTEKNREHLIDCLQTCQYSFMTCEYKCFKADFCKNICDKTYYECQKSCYIEVYNSNETF
					

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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	62.7	Low	76.7	Confident	207 Å²	207	121.2 Å²	121.2	100%	1.02	61%	0.606	S	S	*	*				0	-45.3	0	-66.8	179	87.4	0	0	112.3	N3 S4 I5	M1-N3 PolarHBondContact O-N 3.39Å; M1-S4 PolarHBondContact O-N 3.49Å; M1-S4 VanDerWaalsContact O-N 3.15Å; M1-I5 PolarHBondContact O-N 3.03Å
2	Y	67	Low	77.4	Confident	196 Å²	196	116.6 Å²	116.6	77%	0.769	59%	0.594	S	S	*	*	H	α-helix	trans	-55.4	-42.6	176.9	-90.5	-87	0	0	0	115.3	S4 I5 Y6	Y2-S4 VanDerWaalsContact C-N 3.28Å; Y2-S4 PolarHBondContact O-N 3.36Å; Y2-I5 PolarHBondContact O-N 3Å; Y2-Y6 PolarHBondContact O-N 3.02Å
3	N	65.8	Low	78.1	Confident	139 Å²	139	112.9 Å²	112.9	74%	0.743	59%	0.586	S	S	*	*	H	α-helix	trans	-59.6	-37.2	177.3	-82.6	5.6	0	0	0	113	M1 Y6 S7	M1-N3 PolarHBondContact O-N 3.39Å; N3-Y6 PolarHBondContact O-N 3.26Å; N3-S7 PolarHBondContact O-N 2.87Å; N3-S7 PolarHBondContact O-OG 3.36Å
4	S	72.7	Confident	78.8	Confident	75 Å²	75	112.2 Å²	112.2	52%	0.524	58%	0.582	S	S	.	*	H	α-helix	trans	-71	-37.5	-179	-165.9	0	0	0	0	111.6	M1 Y2 S7 I8	M1-S4 PolarHBondContact O-N 3.49Å; M1-S4 VanDerWaalsContact O-N 3.15Å; Y2-S4 VanDerWaalsContact C-N 3.28Å; Y2-S4 PolarHBondContact O-N 3.36Å; S4-S7 PolarHBondContact O-N 3.42Å; S4-I8 WeakPolarHBondContact O-CD1 3.42Å; S4-I8 VanDerWaalsContact O-CG1 3.25Å; S4-I8 WeakPolarHBondContact O-CG1 3.24Å; S4-I8 PolarHBondContact O-N 3.15Å
5	I	78.9	Confident	79.5	Confident	95 Å²	95	111.5 Å²	111.5	49%	0.487	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-43.1	174.8	-61.7	170.1	0	0	0	110.5	M1 Y2 I8 L9	M1-I5 PolarHBondContact O-N 3.03Å; Y2-I5 PolarHBondContact O-N 3Å; I5-I8 PolarHBondContact O-N 3.42Å; I5-L9 HydrophobicContact CG2-CD1 4.08Å; I5-L9 PolarHBondContact O-N 3.3Å
6	Y	76.4	Confident	80	Confident	161 Å²	161	113.8 Å²	113.8	63%	0.631	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-41.3	177.7	-126.2	-85.8	0	0	0	112.1	Y2 N3 I8 L9 L10	Y2-Y6 PolarHBondContact O-N 3.02Å; N3-Y6 PolarHBondContact O-N 3.26Å; Y6-I8 PolarHBondContact O-N 3.3Å; Y6-L9 PolarHBondContact O-N 3.02Å; Y6-L10 HydrophobicContact CD1-CD1 4.25Å; Y6-L10 PolarHBondContact O-N 3.07Å
7	S	79.2	Confident	80.3	Confident	61 Å²	61	114 Å²	114	43%	0.427	58%	0.58	S	S	.	*	H	α-helix	trans	-61.3	-42.7	175	-54.2	0	0	0	0	112.2	N3 S4 L10 I11	N3-S7 PolarHBondContact O-N 2.87Å; N3-S7 PolarHBondContact O-OG 3.36Å; S4-S7 PolarHBondContact O-N 3.42Å; S7-L10 PolarHBondContact O-N 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.25Å; S7-I11 VanDerWaalsContact O-CG1 3.24Å; S7-I11 WeakPolarHBondContact O-CG1 3.41Å; S7-I11 PolarHBondContact O-N 3Å
8	I	84.4	Confident	80.4	Confident	98 Å²	98	113.6 Å²	113.6	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-64	-45.7	178.6	-67.4	161.9	0	0	0	110.4	S4 I5 Y6 L10 I11 S12	S4-I8 WeakPolarHBondContact O-CD1 3.42Å; S4-I8 VanDerWaalsContact O-CG1 3.25Å; S4-I8 WeakPolarHBondContact O-CG1 3.24Å; S4-I8 PolarHBondContact O-N 3.15Å; I5-I8 PolarHBondContact O-N 3.42Å; Y6-I8 PolarHBondContact O-N 3.3Å; I8-L10 PolarHBondContact O-N 3.02Å; I8-I11 PolarHBondContact O-N 3.49Å; I8-S12 PolarHBondContact O-N 2.91Å; I8-S12 PolarHBondContact O-OG 3.29Å
9	L	83.8	Confident	80.5	Confident	103 Å²	103	111.2 Å²	111.2	54%	0.539	57%	0.573	S	S	.	*	H	α-helix	trans	-59.6	-43.7	176.9	-79.4	162.5	0	0	0	112.2	I5 Y6 I11 S12 S13	I5-L9 HydrophobicContact CG2-CD1 4.08Å; I5-L9 PolarHBondContact O-N 3.3Å; Y6-L9 PolarHBondContact O-N 3.02Å; L9-I11 PolarHBondContact O-N 2.94Å; L9-S12 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-N 3.4Å; L9-S13 PolarHBondContact O-OG 3.24Å
10	L	85.2	Confident	80.2	Confident	102 Å²	102	109.8 Å²	109.8	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-61.1	-43.6	175.9	-87	159.5	0	0	0	112.3	Y6 S7 I8 S13 L14	Y6-L10 HydrophobicContact CD1-CD1 4.25Å; Y6-L10 PolarHBondContact O-N 3.07Å; S7-L10 PolarHBondContact O-N 3.33Å; I8-L10 PolarHBondContact O-N 3.02Å; L10-S13 PolarHBondContact O-N 3.34Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.16Å
11	I	87.8	Confident	79.9	Confident	96 Å²	96	106.1 Å²	106.1	49%	0.492	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-43.5	177.7	-67.2	162.4	0	0	0	110.5	S7 I8 L9 S13 L14 L15	S7-I11 WeakPolarHBondContact O-CD1 3.25Å; S7-I11 VanDerWaalsContact O-CG1 3.24Å; S7-I11 WeakPolarHBondContact O-CG1 3.41Å; S7-I11 PolarHBondContact O-N 3Å; I8-I11 PolarHBondContact O-N 3.49Å; L9-I11 PolarHBondContact O-N 2.94Å; I11-S13 PolarHBondContact O-N 3.49Å; I11-L14 PolarHBondContact O-N 2.94Å; I11-L15 HydrophobicContact CG2-CD1 3.99Å; I11-L15 WeakPolarHBondContact O-CB 3.3Å; I11-L15 PolarHBondContact O-N 3.38Å
12	S	85	Confident	80.4	Confident	66 Å²	66	100.7 Å²	100.7	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-41.5	176.1	-63.6	0	0	0	0	112.2	I8 L9 L15 Y16	I8-S12 PolarHBondContact O-N 2.91Å; I8-S12 PolarHBondContact O-OG 3.29Å; L9-S12 PolarHBondContact O-N 3.29Å; S12-L15 PolarHBondContact O-N 3.44Å; S12-Y16 WeakPolarHBondContact O-CB 3.48Å; S12-Y16 PolarHBondContact O-N 2.94Å
13	S	87	Confident	80.5	Confident	69 Å²	69	95 Å²	95	48%	0.483	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-41.5	174.8	-69.8	0	0	0	0	112.5	L9 L10 I11 Y16 I17	L9-S13 PolarHBondContact O-N 3.4Å; L9-S13 PolarHBondContact O-OG 3.24Å; L10-S13 PolarHBondContact O-N 3.34Å; I11-S13 PolarHBondContact O-N 3.49Å; S13-Y16 PolarHBondContact O-N 2.91Å; S13-I17 VanDerWaalsContact O-CG1 3.3Å; S13-I17 WeakPolarHBondContact O-CG1 3.5Å; S13-I17 PolarHBondContact O-N 2.9Å
14	L	87.5	Confident	80.5	Confident	103 Å²	103	93.6 Å²	93.6	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-43.7	175.7	-79.7	162.9	0	0	0	111.9	L10 I11 Y16 I17 L18	L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.16Å; I11-L14 PolarHBondContact O-N 2.94Å; L14-Y16 VanDerWaalsContact C-N 3.34Å; L14-Y16 PolarHBondContact O-N 3.25Å; L14-I17 PolarHBondContact O-N 3.43Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 3.33Å
15	L	88.4	Confident	80.5	Confident	101 Å²	101	94.5 Å²	94.5	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-42.9	175.4	-86.7	160.7	0	0	0	111.8	I11 S12 L18 C19	I11-L15 HydrophobicContact CG2-CD1 3.99Å; I11-L15 WeakPolarHBondContact O-CB 3.3Å; I11-L15 PolarHBondContact O-N 3.38Å; S12-L15 PolarHBondContact O-N 3.44Å; L15-L18 PolarHBondContact O-N 2.9Å; L15-C19 PolarHBondContact O-N 3.38Å
16	Y	87.6	Confident	80.1	Confident	149 Å²	149	95.9 Å²	95.9	58%	0.584	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-47	177.2	-177	-101.5	0	0	0	111.9	S12 S13 L14 L18 C19 E20	S12-Y16 WeakPolarHBondContact O-CB 3.48Å; S12-Y16 PolarHBondContact O-N 2.94Å; S13-Y16 PolarHBondContact O-N 2.91Å; L14-Y16 VanDerWaalsContact C-N 3.34Å; L14-Y16 PolarHBondContact O-N 3.25Å; Y16-L18 VanDerWaalsContact C-N 3.3Å; Y16-L18 PolarHBondContact O-N 3.41Å; Y16-C19 PolarHBondContact O-N 2.98Å; Y16-E20 HydrophobicContact CD1-CG 4.28Å; Y16-E20 HydrophobicContact CE1-CG 3.8Å; Y16-E20 HydrophobicContact CE2-CG 4.24Å; Y16-E20 WeakPolarHBondContact O-CG 3.47Å; Y16-E20 PolarHBondContact O-N 3.49Å; Y16-E20 PolarHBondContact OH-OE1 3.28Å; Y16-E20 VanDerWaalsContact OH-OE1 3.11Å
17	I	85.1	Confident	79.9	Confident	117 Å²	117	94.2 Å²	94.2	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-39.6	177.3	-66.1	165.1	0	0	0	111.1	S13 L14 G21	S13-I17 VanDerWaalsContact O-CG1 3.3Å; S13-I17 WeakPolarHBondContact O-CG1 3.5Å; S13-I17 PolarHBondContact O-N 2.9Å; L14-I17 PolarHBondContact O-N 3.43Å; I17-G21 PolarHBondContact O-N 2.93Å
18	L	83.3	Confident	79.4	Confident	107 Å²	107	94.1 Å²	94.1	56%	0.56	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-46.5	175.1	-89.5	156.8	0	0	0	111.9	L14 L15 Y16 G21 I22	L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 3.33Å; L15-L18 PolarHBondContact O-N 2.9Å; Y16-L18 VanDerWaalsContact C-N 3.3Å; Y16-L18 PolarHBondContact O-N 3.41Å; L18-G21 PolarHBondContact O-N 2.02Å; L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.01Å; L18-I22 PolarHBondContact O-N 3.11Å
19	C	80.9	Confident	78.8	Confident	68 Å²	68	98 Å²	98	46%	0.459	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-46.6	177.3	-79.7	0	0	0	0	112.1	L15 Y16 G21 I22 I23	L15-C19 PolarHBondContact O-N 3.38Å; Y16-C19 PolarHBondContact O-N 2.98Å; C19-G21 VanDerWaalsContact C-N 3.28Å; C19-G21 PolarHBondContact O-N 3.32Å; C19-I22 PolarHBondContact O-N 2.88Å; C19-I23 WeakPolarHBondContact O-CG1 3.38Å; C19-I23 PolarHBondContact O-N 2.9Å
20	E	76	Confident	78.3	Confident	82 Å²	82	99 Å²	99	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-58.6	-42.3	175.1	-75.4	-72.2	142.8	0	0	111.1	Y16 I23 L24	Y16-E20 HydrophobicContact CD1-CG 4.28Å; Y16-E20 HydrophobicContact CE1-CG 3.8Å; Y16-E20 HydrophobicContact CE2-CG 4.24Å; Y16-E20 WeakPolarHBondContact O-CG 3.47Å; Y16-E20 PolarHBondContact O-N 3.49Å; Y16-E20 PolarHBondContact OH-OE1 3.28Å; Y16-E20 VanDerWaalsContact OH-OE1 3.11Å; E20-I23 PolarHBondContact O-N 2.68Å; E20-L24 WeakPolarHBondContact O-CB 3.29Å; E20-L24 PolarHBondContact O-N 3.2Å
21	G	73.3	Confident	77.6	Confident	34 Å²	34	99.5 Å²	99.5	35%	0.351	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-44.9	174.7	0	0	0	0	0	112.9	I17 L18 C19 L24 T25	I17-G21 PolarHBondContact O-N 2.93Å; L18-G21 PolarHBondContact O-N 2.02Å; C19-G21 VanDerWaalsContact C-N 3.28Å; C19-G21 PolarHBondContact O-N 3.32Å; G21-L24 PolarHBondContact O-N 2.01Å; G21-T25 PolarHBondContact O-N 3.43Å; G21-T25 PolarHBondContact O-OG1 2.97Å
22	I	72.2	Confident	76.6	Confident	92 Å²	92	97.2 Å²	97.2	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-62.1	-48.4	177.3	-68.1	163.5	0	0	0	110.3	L18 C19 L24 T25 E26	L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.01Å; L18-I22 PolarHBondContact O-N 3.11Å; C19-I22 PolarHBondContact O-N 2.88Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.11Å; I22-T25 CarbonylContact O-C 3.43Å; I22-T25 WeakPolarHBondContact O-CA 3.45Å; I22-T25 WeakPolarHBondContact O-CB 2.98Å; I22-T25 PolarHBondContact O-N 3.04Å; I22-E26 HydrophobicContact CG2-CG 4.46Å; I22-E26 PolarHBondContact O-N 3.3Å
23	I	70	Confident	76.1	Confident	78 Å²	78	97.8 Å²	97.8	40%	0.4	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-42.9	179.5	-66.7	166.3	0	0	0	110.9	C19 E20 T25 E26 K27	C19-I23 WeakPolarHBondContact O-CG1 3.38Å; C19-I23 PolarHBondContact O-N 2.9Å; E20-I23 PolarHBondContact O-N 2.68Å; I23-T25 VanDerWaalsContact C-N 3.28Å; I23-T25 PolarHBondContact O-N 2.99Å; I23-E26 PolarHBondContact O-N 3.02Å; I23-K27 HydrophobicContact CG2-CD 4.39Å; I23-K27 WeakPolarHBondContact O-CB 3.44Å; I23-K27 WeakPolarHBondContact O-CG 2.99Å; I23-K27 PolarHBondContact O-N 3.38Å
24	L	66.4	Low	75.5	Confident	108 Å²	108	98.7 Å²	98.7	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-62.1	-38.4	175.8	-114.3	127	0	0	0	111.9	E20 G21 I22 N28	E20-L24 WeakPolarHBondContact O-CB 3.29Å; E20-L24 PolarHBondContact O-N 3.2Å; G21-L24 PolarHBondContact O-N 2.01Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.11Å; L24-N28 WeakPolarHBondContact O-CB 3.27Å; L24-N28 PolarHBondContact O-N 3.27Å
25	T	71.2	Confident	74.6	Confident	95 Å²	95	93.8 Å²	93.8	58%	0.583	47%	0.468	S	S	*	.	H	α-helix	trans	-70.7	-41	178.8	-43.1	0	0	0	0	111.2	G21 I22 I23 N28 R29	G21-T25 PolarHBondContact O-N 3.43Å; G21-T25 PolarHBondContact O-OG1 2.97Å; I22-T25 CarbonylContact O-C 3.43Å; I22-T25 WeakPolarHBondContact O-CA 3.45Å; I22-T25 WeakPolarHBondContact O-CB 2.98Å; I22-T25 PolarHBondContact O-N 3.04Å; I23-T25 VanDerWaalsContact C-N 3.28Å; I23-T25 PolarHBondContact O-N 2.99Å; T25-N28 PolarHBondContact O-N 3.41Å; T25-R29 WeakPolarHBondContact O-CB 3.34Å; T25-R29 PolarHBondContact O-N 3.44Å
26	E	72.2	Confident	73.8	Confident	124 Å²	124	92.7 Å²	92.7	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-64.1	-46.9	174.7	-77	-170.3	155.5	0	0	111.6	I22 I23 N28 R29 E30	I22-E26 HydrophobicContact CG2-CG 4.46Å; I22-E26 PolarHBondContact O-N 3.3Å; I23-E26 PolarHBondContact O-N 3.02Å; E26-N28 VanDerWaalsContact C-N 3.32Å; E26-N28 PolarHBondContact O-N 2.94Å; E26-R29 CarbonylContact O-C 3.59Å; E26-R29 WeakPolarHBondContact O-CA 3.44Å; E26-R29 WeakPolarHBondContact O-CB 3.38Å; E26-R29 PolarHBondContact O-N 2.64Å; E26-E30 PolarHBondContact O-N 2.95Å
27	K	71.3	Confident	73	Confident	126 Å²	126	90.1 Å²	90.1	55%	0.548	46%	0.456	S	S	.	.	H	α-helix	trans	-59.4	-41.7	174.3	-77.7	-175.3	176.7	-178.8	0	112.4	I23 R29 E30 H31	I23-K27 HydrophobicContact CG2-CD 4.39Å; I23-K27 WeakPolarHBondContact O-CB 3.44Å; I23-K27 WeakPolarHBondContact O-CG 2.99Å; I23-K27 PolarHBondContact O-N 3.38Å; K27-R29 PolarHBondContact O-N 3.41Å; K27-E30 PolarHBondContact O-N 3.27Å; K27-H31 WeakPolarHBondContact O-CB 3.33Å; K27-H31 PolarHBondContact O-CD2 3.1Å; K27-H31 VanDerWaalsContact O-CD2 3.32Å; K27-H31 PolarHBondContact O-N 3.39Å
28	N	69.5	Low	72.2	Confident	59 Å²	59	86.2 Å²	86.2	32%	0.316	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-31.9	173.3	-105.3	8.4	0	0	0	111.8	L24 T25 E26 L32 Y48	L24-N28 WeakPolarHBondContact O-CB 3.27Å; L24-N28 PolarHBondContact O-N 3.27Å; T25-N28 PolarHBondContact O-N 3.41Å; E26-N28 VanDerWaalsContact C-N 3.32Å; E26-N28 PolarHBondContact O-N 2.94Å; N28-L32 WeakPolarHBondContact O-CB 3Å; N28-L32 PolarHBondContact O-N 3.19Å; N28-L32 VanDerWaalsContact O-N 3.1Å; N28-Y48 WeakPolarHBondContact O-CE2 3.33Å; N28-Y48 PolarHBondContact O-OH 3.3Å
29	R	71.2	Confident	71.2	Confident	178 Å²	178	81.9 Å²	81.9	67%	0.672	42%	0.416	S	S	*	.	H	α-helix	trans	-75.4	-39.8	177.9	-166.3	180	170.2	-174.3	-4.1	111.5	T25 E26 K27 L32 I33	T25-R29 WeakPolarHBondContact O-CB 3.34Å; T25-R29 PolarHBondContact O-N 3.44Å; E26-R29 CarbonylContact O-C 3.59Å; E26-R29 WeakPolarHBondContact O-CA 3.44Å; E26-R29 WeakPolarHBondContact O-CB 3.38Å; E26-R29 PolarHBondContact O-N 2.64Å; K27-R29 PolarHBondContact O-N 3.41Å; R29-L32 WeakPolarHBondContact O-CB 3.35Å; R29-L32 PolarHBondContact O-N 3.03Å; R29-I33 HydrophobicContact CG-CD1 4.41Å; R29-I33 VanDerWaalsContact O-CG1 3.31Å; R29-I33 WeakPolarHBondContact O-CG1 3.45Å; R29-I33 PolarHBondContact O-N 3.09Å
30	E	73.3	Confident	70.5	Confident	126 Å²	126	85.7 Å²	85.7	59%	0.589	43%	0.427	S	S	*	.	H	α-helix	trans	-60	-49.2	172	-73.2	-179.5	158.8	0	0	110.8	E26 K27 L32 I33 D34	E26-E30 PolarHBondContact O-N 2.95Å; K27-E30 PolarHBondContact O-N 3.27Å; E30-L32 PolarHBondContact O-N 3.33Å; E30-I33 WeakPolarHBondContact O-CB 3.45Å; E30-I33 PolarHBondContact O-N 2.82Å; E30-D34 PolarHBondContact O-N 2.89Å
31	H	70.6	Confident	69.8	Low	111 Å²	111	89.3 Å²	89.3	51%	0.514	44%	0.438	S	S	.	.	H	α-helix	trans	-57.7	-36.9	174.8	-87.8	-66.2	0	0	0	112.8	K27 C35 Y48	K27-H31 WeakPolarHBondContact O-CB 3.33Å; K27-H31 PolarHBondContact O-CD2 3.1Å; K27-H31 VanDerWaalsContact O-CD2 3.32Å; K27-H31 PolarHBondContact O-N 3.39Å; H31-C35 WeakPolarHBondContact O-CB 3.49Å; H31-C35 PolarHBondContact O-N 3.1Å; H31-Y48 HydrophobicContact CB-CD2 4.24Å; H31-Y48 HydrophobicContact CB-CE2 4.27Å
32	L	67.3	Low	69	Low	49 Å²	49	89.7 Å²	89.7	26%	0.257	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-41.2	175.1	-176.8	68.1	0	0	0	111.8	N28 R29 E30 C35 L36 Y48 I59	N28-L32 WeakPolarHBondContact O-CB 3Å; N28-L32 PolarHBondContact O-N 3.19Å; N28-L32 VanDerWaalsContact O-N 3.1Å; R29-L32 WeakPolarHBondContact O-CB 3.35Å; R29-L32 PolarHBondContact O-N 3.03Å; E30-L32 PolarHBondContact O-N 3.33Å; L32-C35 VanDerWaalsContact O-CB 3.27Å; L32-C35 WeakPolarHBondContact O-CB 3.29Å; L32-C35 PolarHBondContact O-N 3.27Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.94Å; L32-Y48 HydrophobicContact CB-CD2 4.28Å; L32-Y48 HydrophobicContact CB-CE2 3.73Å; L32-Y48 HydrophobicContact CD1-CD1 4.07Å; L32-Y48 HydrophobicContact CD1-CD2 4.38Å; L32-Y48 HydrophobicContact CD1-CE1 3.89Å; L32-Y48 HydrophobicContact CD1-CE2 4.25Å; L32-Y48 HydrophobicContact CD1-CG 4.29Å; L32-I59 HydrophobicContact CD1-CD1 3.81Å; L32-I59 HydrophobicContact CD1-CG1 3.95Å
33	I	74	Confident	68	Low	77 Å²	77	92.8 Å²	92.8	40%	0.395	45%	0.446	S	S	.	.	H	α-helix	trans	-65.4	-45.9	177.9	-68.6	164.3	0	0	0	110.4	R29 E30 C35 L36 Q37	R29-I33 HydrophobicContact CG-CD1 4.41Å; R29-I33 VanDerWaalsContact O-CG1 3.31Å; R29-I33 WeakPolarHBondContact O-CG1 3.45Å; R29-I33 PolarHBondContact O-N 3.09Å; E30-I33 WeakPolarHBondContact O-CB 3.45Å; E30-I33 PolarHBondContact O-N 2.82Å; I33-C35 PolarHBondContact O-N 3.38Å; I33-L36 PolarHBondContact O-N 3.38Å; I33-L36 VanDerWaalsContact O-N 3.17Å; I33-Q37 PolarHBondContact O-N 2.89Å
34	D	74.1	Confident	67.2	Low	89 Å²	89	95.6 Å²	95.6	48%	0.476	46%	0.459	S	S	.	.	H	α-helix	trans	-57	-44.4	174.6	-79	-6.6	0	0	0	109.9	E30 L36 Q37 T38	E30-D34 PolarHBondContact O-N 2.89Å; D34-L36 PolarHBondContact O-N 3.32Å; D34-Q37 PolarHBondContact O-N 3.32Å; D34-T38 WeakPolarHBondContact O-CB 3.49Å; D34-T38 PolarHBondContact O-N 3.34Å; D34-T38 PolarHBondContact O-OG1 3.19Å
35	C	69.6	Low	66.8	Low	0 Å²	0	94 Å²	94	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-57.8	-47.6	175.7	-141.7	0	0	0	0	113	H31 L32 I33 T38 C39 C46 I59	H31-C35 WeakPolarHBondContact O-CB 3.49Å; H31-C35 PolarHBondContact O-N 3.1Å; L32-C35 VanDerWaalsContact O-CB 3.27Å; L32-C35 WeakPolarHBondContact O-CB 3.29Å; L32-C35 PolarHBondContact O-N 3.27Å; I33-C35 PolarHBondContact O-N 3.38Å; C35-T38 WeakPolarHBondContact O-CB 3.27Å; C35-T38 PolarHBondContact O-N 3.39Å; C35-C39 WeakPolarHBondContact O-CB 3.44Å; C35-C39 PolarHBondContact O-N 3.4Å; C35-C46 WeakPolarHBondContact CA-SG 3.34Å; C35-C46 HydrophobicContact CB-CB 3.97Å; C35-C46 WeakPolarHBondContact CB-SG 3.42Å; C35-C46 WeakPolarHBondContact SG-CB 3.45Å; C35-C46 CovalentContact SG-SG 2Å; C35-C46 PolarHBondContact SG-SG 2.92Å; C35-I59 HydrophobicContact CB-CG2 4.36Å
36	L	70.4	Confident	66.4	Low	77 Å²	77	90.2 Å²	90.2	40%	0.403	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-41.2	178.7	-75.9	164.6	0	0	0	111.9	L32 I33 D34 C39 Q40 I59	L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.94Å; I33-L36 PolarHBondContact O-N 3.38Å; I33-L36 VanDerWaalsContact O-N 3.17Å; D34-L36 PolarHBondContact O-N 3.32Å; L36-C39 VanDerWaalsContact O-CB 3.31Å; L36-C39 WeakPolarHBondContact O-CB 3.29Å; L36-C39 PolarHBondContact O-N 3.46Å; L36-Q40 PolarHBondContact O-N 3.39Å; L36-I59 HydrophobicContact CD2-CG2 4.08Å; L36-I59 VanDerWaalsContact CD2-O 3.29Å; L36-I59 WeakPolarHBondContact CD2-O 3.38Å; L36-I59 HydrophobicContact CG-CG2 4.39Å
37	Q	70.7	Confident	65.8	Low	96 Å²	96	90.4 Å²	90.4	45%	0.449	43%	0.432	S	S	.	.	H	α-helix	trans	-64.3	-45	173.7	-76.5	-170.7	-20	0	0	110.9	I33 D34 C39 Q40 Y41	I33-Q37 PolarHBondContact O-N 2.89Å; D34-Q37 PolarHBondContact O-N 3.32Å; Q37-C39 PolarHBondContact O-N 2.92Å; Q37-Q40 CarbonylContact O-C 3.52Å; Q37-Q40 WeakPolarHBondContact O-CA 3.18Å; Q37-Q40 WeakPolarHBondContact O-CB 3.5Å; Q37-Q40 PolarHBondContact O-N 3.41Å; Q37-Y41 HydrophobicContact CB-CD2 4.45Å; Q37-Y41 HydrophobicContact CB-CE2 4.41Å; Q37-Y41 WeakPolarHBondContact O-CD2 3.42Å; Q37-Y41 PolarHBondContact O-N 3.38Å
38	T	68.7	Low	65.4	Low	34 Å²	34	86.1 Å²	86.1	21%	0.209	41%	0.412	C	S	.	.	H	α-helix	trans	-57.6	-42.3	178.2	-50.2	0	0	0	0	111.2	D34 C35 Y41 S42 M44	D34-T38 WeakPolarHBondContact O-CB 3.49Å; D34-T38 PolarHBondContact O-N 3.34Å; D34-T38 PolarHBondContact O-OG1 3.19Å; C35-T38 WeakPolarHBondContact O-CB 3.27Å; C35-T38 PolarHBondContact O-N 3.39Å; T38-Y41 CarbonylContact O-C 3.58Å; T38-Y41 PolarHBondContact O-N 3.43Å; T38-S42 PolarHBondContact O-N 3.49Å; T38-M44 HydrophobicContact CG2-CB 3.15Å; T38-M44 HydrophobicContact CG2-CG 4.47Å; T38-M44 VanDerWaalsContact CG2-O 3.31Å; T38-M44 WeakPolarHBondContact CG2-O 3.45Å
39	C	63.5	Low	65	Low	17 Å²	17	90 Å²	90	12%	0.115	43%	0.427	C	S	.	.	H	α-helix	trans	-58.7	-43.6	171.4	-88.3	0	0	0	0	113.4	C35 L36 Q37 Y41 S42 C60	C35-C39 WeakPolarHBondContact O-CB 3.44Å; C35-C39 PolarHBondContact O-N 3.4Å; L36-C39 VanDerWaalsContact O-CB 3.31Å; L36-C39 WeakPolarHBondContact O-CB 3.29Å; L36-C39 PolarHBondContact O-N 3.46Å; Q37-C39 PolarHBondContact O-N 2.92Å; C39-Y41 VanDerWaalsContact C-N 3.31Å; C39-Y41 PolarHBondContact O-N 2.92Å; C39-S42 PolarHBondContact O-N 3.28Å; C39-C60 VanDerWaalsContact CA-SG 3.57Å; C39-C60 HydrophobicContact CB-CB 4.08Å; C39-C60 WeakPolarHBondContact CB-SG 2.9Å; C39-C60 WeakPolarHBondContact SG-CB 3.33Å; C39-C60 CovalentContact SG-SG 2.02Å; C39-C60 PolarHBondContact SG-SG 2.81Å
40	Q	64.9	Low	64.7	Low	147 Å²	147	82.1 Å²	82.1	69%	0.687	40%	0.398	S	S	*	.	H	α-helix	trans	-64.4	-36.3	175.7	-171.1	178	-3.6	0	0	112	L36 Q37 S42	L36-Q40 PolarHBondContact O-N 3.39Å; Q37-Q40 CarbonylContact O-C 3.52Å; Q37-Q40 WeakPolarHBondContact O-CA 3.18Å; Q37-Q40 WeakPolarHBondContact O-CB 3.5Å; Q37-Q40 PolarHBondContact O-N 3.41Å; Q40-S42 VanDerWaalsContact C-N 3.35Å
41	Y	62.5	Low	64	Low	159 Å²	159	85 Å²	85	62%	0.624	41%	0.409	S	S	*	.	H	α-helix	trans	-84.6	-3.1	179.1	-68.8	-69.3	0	0	0	114.2	Q37 T38 C39 F43	Q37-Y41 HydrophobicContact CB-CD2 4.45Å; Q37-Y41 HydrophobicContact CB-CE2 4.41Å; Q37-Y41 WeakPolarHBondContact O-CD2 3.42Å; Q37-Y41 PolarHBondContact O-N 3.38Å; T38-Y41 CarbonylContact O-C 3.58Å; T38-Y41 PolarHBondContact O-N 3.43Å; C39-Y41 VanDerWaalsContact C-N 3.31Å; C39-Y41 PolarHBondContact O-N 2.92Å; Y41-F43 WeakPolarHBondContact O-CD2 3.43Å; Y41-F43 PolarHBondContact O-N 2.02Å
42	S	56.3	Low	63.3	Low	41 Å²	41	86.7 Å²	86.7	29%	0.287	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	18.8	168.9	-56.8	0	0	0	0	117.6	T38 C39 Q40 V75	T38-S42 PolarHBondContact O-N 3.49Å; C39-S42 PolarHBondContact O-N 3.28Å; Q40-S42 VanDerWaalsContact C-N 3.35Å; S42-V75 VanDerWaalsContact CA-CG1 3.44Å
43	F	50.2	Low	62.8	Low	158 Å²	158	86.8 Å²	86.8	69%	0.693	42%	0.423	S	S	*	.			trans	-132.5	11.9	-171.2	-78	-67.9	0	0	0	116.1	Y41 N77	Y41-F43 WeakPolarHBondContact O-CD2 3.43Å; Y41-F43 PolarHBondContact O-N 2.02Å; F43-N77 VanDerWaalsContact CZ-ND2 3.29Å; F43-N77 WeakPolarHBondContact CZ-ND2 2.98Å
44	M	53.1	Low	62.2	Low	137 Å²	137	88.4 Å²	88.4	68%	0.675	43%	0.433	S	S	*	.			trans	-150.3	145.7	179.2	-109.1	176.2	-178.2	0	0	113.6	T38	T38-M44 HydrophobicContact CG2-CB 3.15Å; T38-M44 HydrophobicContact CG2-CG 4.47Å; T38-M44 VanDerWaalsContact CG2-O 3.31Å; T38-M44 WeakPolarHBondContact CG2-O 3.45Å
45	T	59.2	Low	61.7	Low	73 Å²	73	90.7 Å²	90.7	45%	0.448	44%	0.438	S	S	.	.			trans	-72.8	122.4	168.8	47.7	0	0	0	0	109.3	Y72 I73 E74	T45-Y72 HydrophobicContact CG2-CE1 3.84Å; T45-I73 WeakPolarHBondContact CA-O 3.31Å; T45-E74 HydrophobicContact CG2-CG 4.01Å
46	C	61	Low	61.2	Low	17 Å²	17	90.7 Å²	90.7	12%	0.115	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.1	171.1	170.6	0	0	0	0	110.1	C35	C35-C46 WeakPolarHBondContact CA-SG 3.34Å; C35-C46 HydrophobicContact CB-CB 3.97Å; C35-C46 WeakPolarHBondContact CB-SG 3.42Å; C35-C46 WeakPolarHBondContact SG-CB 3.45Å; C35-C46 CovalentContact SG-SG 2Å; C35-C46 PolarHBondContact SG-SG 2.92Å
47	E	60.3	Low	60.9	Low	128 Å²	128	91.7 Å²	91.7	60%	0.598	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.3	169.7	-76.8	-169.4	159.5	0	0	110.6	C71 Y72	E47-C71 WeakPolarHBondContact CA-O 3.35Å; E47-Y72 HydrophobicContact CG-CD2 4.13Å; E47-Y72 HydrophobicContact CG-CE2 4.5Å
48	Y	63.6	Low	60.6	Low	35 Å²	35	93.5 Å²	93.5	14%	0.137	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.3	173.1	-172.2	-106.1	0	0	0	111	N28 H31 L32 C50 I59 S70 C71	N28-Y48 WeakPolarHBondContact O-CE2 3.33Å; N28-Y48 PolarHBondContact O-OH 3.3Å; H31-Y48 HydrophobicContact CB-CD2 4.24Å; H31-Y48 HydrophobicContact CB-CE2 4.27Å; L32-Y48 HydrophobicContact CB-CD2 4.28Å; L32-Y48 HydrophobicContact CB-CE2 3.73Å; L32-Y48 HydrophobicContact CD1-CD1 4.07Å; L32-Y48 HydrophobicContact CD1-CD2 4.38Å; L32-Y48 HydrophobicContact CD1-CE1 3.89Å; L32-Y48 HydrophobicContact CD1-CE2 4.25Å; L32-Y48 HydrophobicContact CD1-CG 4.29Å; Y48-C50 PolarHBondContact O-N 3.29Å; Y48-C50 VanDerWaalsContact O-N 3.09Å; Y48-I59 HydrophobicContact CD1-CD1 3.96Å; Y48-I59 HydrophobicContact CG-CD1 4.4Å; Y48-S70 CarbonylContact O-C 3.55Å; Y48-S70 VanDerWaalsContact O-CA 3.27Å; Y48-S70 WeakPolarHBondContact O-CA 3.31Å; Y48-C71 PolarHBondContact N-O 3.47Å; Y48-C71 WeakPolarHBondContact O-CB 3.38Å; Y48-C71 PolarHBondContact O-N 3.01Å
49	K	61.4	Low	60.4	Low	142 Å²	142	92.7 Å²	92.7	62%	0.617	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	121.8	-179.3	-84.6	-176	178.4	174.8	0	111.1
50	C	63.3	Low	60.3	Low	12 Å²	12	92.3 Å²	92.3	8%	0.081	44%	0.444	C	S	.	.			trans	-110.9	129.7	-176.3	76.2	0	0	0	0	109.8	Y48 C56 C67 K69 C71	Y48-C50 PolarHBondContact O-N 3.29Å; Y48-C50 VanDerWaalsContact O-N 3.09Å; C50-C56 WeakPolarHBondContact CB-SG 3.22Å; C50-C67 HydrophobicContact CB-CB 3.98Å; C50-C67 WeakPolarHBondContact CB-SG 3.33Å; C50-C67 WeakPolarHBondContact SG-CA 2.87Å; C50-C67 WeakPolarHBondContact SG-CB 3.29Å; C50-C67 CovalentContact SG-SG 2.02Å; C50-C67 PolarHBondContact SG-SG 2Å; C50-K69 PolarHBondContact N-O 3.45Å; C50-C71 HydrophobicContact CB-CB 4.31Å; C50-C71 WeakPolarHBondContact CB-SG 3.41Å
51	F	60.1	Low	60.1	Low	187 Å²	187	92.6 Å²	92.6	82%	0.82	45%	0.45	S	S	*	.	S	Bend	trans	-101.3	-20.7	171.9	-71.6	-84.2	0	0	0	112.1
52	K	55.5	Low	59.8	Low	145 Å²	145	94.2 Å²	94.2	63%	0.63	46%	0.46	S	S	*	.	S	Bend	trans	-145.8	142.2	177	-73.4	-177.7	173.8	-180	0	109.2	D54 F55	K52-D54 PolarHBondContact O-N 3.37Å; K52-F55 HydrophobicContact CB-CD2 4.32Å; K52-F55 WeakPolarHBondContact O-CB 3.15Å; K52-F55 PolarHBondContact O-N 3.32Å; K52-F55 VanDerWaalsContact O-N 3.11Å
53	A	55.5	Low	60	Low	51 Å²	51	93 Å²	93	42%	0.421	45%	0.452	S	S	.	.	H	α-helix	trans	-58.7	-35	-179.8	0	0	0	0	0	113	F55 C56 K57 C67	A53-F55 PolarHBondContact O-N 3Å; A53-C56 WeakPolarHBondContact O-CB 3.41Å; A53-C56 PolarHBondContact O-N 3.24Å; A53-K57 PolarHBondContact O-N 3.24Å; A53-C67 HydrophobicContact CB-CB 4.26Å
54	D	62.2	Low	60.4	Low	112 Å²	112	91.9 Å²	91.9	60%	0.599	44%	0.444	S	S	*	.	H	α-helix	trans	-61.4	-27.1	178.6	-65	-36.7	0	0	0	113.3	K52 C56 K57 N58	K52-D54 PolarHBondContact O-N 3.37Å; D54-C56 VanDerWaalsContact C-N 3.33Å; D54-K57 PolarHBondContact O-N 2.87Å; D54-N58 PolarHBondContact O-N 3.01Å
55	F	63.2	Low	60.8	Low	136 Å²	136	89.5 Å²	89.5	60%	0.596	43%	0.428	S	S	*	.	H	α-helix	trans	-64.9	-40.3	174.4	-96.8	-85.6	0	0	0	111.2	K52 A53 K57 N58 I59	K52-F55 HydrophobicContact CB-CD2 4.32Å; K52-F55 WeakPolarHBondContact O-CB 3.15Å; K52-F55 PolarHBondContact O-N 3.32Å; K52-F55 VanDerWaalsContact O-N 3.11Å; A53-F55 PolarHBondContact O-N 3Å; F55-K57 VanDerWaalsContact C-N 3.35Å; F55-N58 PolarHBondContact O-N 2.96Å; F55-I59 WeakPolarHBondContact O-CG1 3.44Å; F55-I59 PolarHBondContact O-N 3.31Å
56	C	60.3	Low	60.7	Low	0 Å²	0	90 Å²	90	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-66.8	-39.5	178.7	-51.8	0	0	0	0	111.8	C50 A53 D54 N58 I59 Y65 C71	C50-C56 WeakPolarHBondContact CB-SG 3.22Å; A53-C56 WeakPolarHBondContact O-CB 3.41Å; A53-C56 PolarHBondContact O-N 3.24Å; D54-C56 VanDerWaalsContact C-N 3.33Å; C56-N58 VanDerWaalsContact C-N 3.28Å; C56-N58 PolarHBondContact O-N 3.39Å; C56-I59 PolarHBondContact O-N 2.9Å; C56-Y65 HydrophobicContact CB-CD2 4.08Å; C56-Y65 HydrophobicContact CB-CG 4.2Å; C56-C71 WeakPolarHBondContact CA-SG 3.32Å; C56-C71 HydrophobicContact CB-CB 3.7Å; C56-C71 WeakPolarHBondContact CB-SG 3.14Å; C56-C71 WeakPolarHBondContact SG-CA 3.31Å; C56-C71 WeakPolarHBondContact SG-CB 2.93Å; C56-C71 CovalentContact SG-SG 2.01Å; C56-C71 PolarHBondContact SG-SG 2.93Å
57	K	63.3	Low	60.7	Low	99 Å²	99	91 Å²	91	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-58	-40.8	178.1	-171.3	-179.3	-176.2	179.8	0	112.4	A53 D54 F55 I59 Y65	A53-K57 PolarHBondContact O-N 3.24Å; D54-K57 PolarHBondContact O-N 2.87Å; F55-K57 VanDerWaalsContact C-N 3.35Å; K57-I59 VanDerWaalsContact C-N 3.33Å; K57-I59 PolarHBondContact O-N 3.17Å; K57-Y65 HydrophobicContact CB-CD1 4.43Å; K57-Y65 HydrophobicContact CB-CD2 4.4Å; K57-Y65 HydrophobicContact CB-CE1 3.94Å; K57-Y65 HydrophobicContact CB-CE2 3.87Å; K57-Y65 HydrophobicContact CD-CE1 4.49Å; K57-Y65 WeakPolarHBondContact CD-OH 3.34Å; K57-Y65 HydrophobicContact CG-CE1 3.76Å; K57-Y65 HydrophobicContact CG-CE2 4.36Å
58	N	64.6	Low	60.6	Low	134 Å²	134	92.4 Å²	92.4	72%	0.717	44%	0.438	S	S	*	.	H	α-helix	trans	-80	-11.3	-177.8	-74.2	-9.6	0	0	0	114.1	D54 F55 C56	D54-N58 PolarHBondContact O-N 3.01Å; F55-N58 PolarHBondContact O-N 2.96Å; C56-N58 VanDerWaalsContact C-N 3.28Å; C56-N58 PolarHBondContact O-N 3.39Å
59	I	65.3	Low	60.1	Low	17 Å²	17	99.5 Å²	99.5	9%	0.087	47%	0.47	C	S	.	.	H	α-helix	trans	-76.2	-37.5	177	-68.5	167	0	0	0	110.2	L32 C35 L36 Y48 F55 C56 K57 I73	L32-I59 HydrophobicContact CD1-CD1 3.81Å; L32-I59 HydrophobicContact CD1-CG1 3.95Å; C35-I59 HydrophobicContact CB-CG2 4.36Å; L36-I59 HydrophobicContact CD2-CG2 4.08Å; L36-I59 VanDerWaalsContact CD2-O 3.29Å; L36-I59 WeakPolarHBondContact CD2-O 3.38Å; L36-I59 HydrophobicContact CG-CG2 4.39Å; Y48-I59 HydrophobicContact CD1-CD1 3.96Å; Y48-I59 HydrophobicContact CG-CD1 4.4Å; F55-I59 WeakPolarHBondContact O-CG1 3.44Å; F55-I59 PolarHBondContact O-N 3.31Å; C56-I59 PolarHBondContact O-N 2.9Å; K57-I59 VanDerWaalsContact C-N 3.33Å; K57-I59 PolarHBondContact O-N 3.17Å; I59-I73 HydrophobicContact CB-CD1 3.97Å; I59-I73 HydrophobicContact CG2-CD1 3.65Å
60	C	61.3	Low	59.8	Low	9 Å²	9	94.3 Å²	94.3	6%	0.061	45%	0.451	C	S	.	.			trans	-143.8	97.8	-169.5	-138.9	0	0	0	0	109.1	C39 K62 T63 I73	C39-C60 VanDerWaalsContact CA-SG 3.57Å; C39-C60 HydrophobicContact CB-CB 4.08Å; C39-C60 WeakPolarHBondContact CB-SG 2.9Å; C39-C60 WeakPolarHBondContact SG-CB 3.33Å; C39-C60 CovalentContact SG-SG 2.02Å; C39-C60 PolarHBondContact SG-SG 2.81Å; C60-K62 PolarHBondContact O-N 3.44Å; C60-T63 WeakPolarHBondContact CB-OG1 2.92Å; C60-T63 PolarHBondContact SG-OG1 3.23Å; C60-I73 HydrophobicContact CB-CD1 4.19Å; C60-I73 HydrophobicContact CB-CG2 3.61Å
61	D	60.1	Low	59.6	Low	152 Å²	152	93.7 Å²	93.7	81%	0.813	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-0.2	-167.7	-138.1	10.2	0	0	0	114.2
62	K	57.2	Low	59.6	Low	193 Å²	193	89 Å²	89	84%	0.839	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	11.8	-166.6	-69.4	-159.4	175.4	-173.2	0	117	C60	C60-K62 PolarHBondContact O-N 3.44Å
63	T	59.7	Low	60	Low	17 Å²	17	82.2 Å²	82.2	10%	0.104	40%	0.396	C	S	.	.	S	Bend	trans	-139.4	156	-161.3	49.2	0	0	0	0	113.6	C60 Y65 I73 E74 V75	C60-T63 WeakPolarHBondContact CB-OG1 2.92Å; C60-T63 PolarHBondContact SG-OG1 3.23Å; T63-Y65 VanDerWaalsContact O-CD1 3.29Å; T63-Y65 WeakPolarHBondContact O-CD1 3.31Å; T63-Y65 PolarHBondContact O-N 3.04Å; T63-I73 WeakPolarHBondContact OG1-CG2 3.06Å; T63-E74 WeakPolarHBondContact CB-O 3.29Å; T63-V75 VanDerWaalsContact CG2-CA 3.41Å; T63-V75 HydrophobicContact CG2-CB 3.72Å; T63-V75 HydrophobicContact CG2-CG1 3.47Å; T63-V75 VanDerWaalsContact CG2-CG1 3.47Å; T63-V75 HydrophobicContact CG2-CG2 3.84Å
64	Y	57.5	Low	60.1	Low	134 Å²	134	82.8 Å²	82.8	53%	0.525	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125	176.9	179.3	-95	0	0	0	108.4	E66 I73 E74	Y64-E66 HydrophobicContact CE1-CB 4.16Å; Y64-I73 WeakPolarHBondContact O-CA 3.27Å; Y64-E74 PolarHBondContact N-O 2.86Å; Y64-E74 PolarHBondContact O-N 2.59Å
65	Y	62.6	Low	59.9	Low	87 Å²	87	78.8 Å²	78.8	34%	0.341	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131	177.7	56.5	-89.6	0	0	0	110.9	C56 K57 T63 Y72	C56-Y65 HydrophobicContact CB-CD2 4.08Å; C56-Y65 HydrophobicContact CB-CG 4.2Å; K57-Y65 HydrophobicContact CB-CD1 4.43Å; K57-Y65 HydrophobicContact CB-CD2 4.4Å; K57-Y65 HydrophobicContact CB-CE1 3.94Å; K57-Y65 HydrophobicContact CB-CE2 3.87Å; K57-Y65 HydrophobicContact CD-CE1 4.49Å; K57-Y65 WeakPolarHBondContact CD-OH 3.34Å; K57-Y65 HydrophobicContact CG-CE1 3.76Å; K57-Y65 HydrophobicContact CG-CE2 4.36Å; T63-Y65 VanDerWaalsContact O-CD1 3.29Å; T63-Y65 WeakPolarHBondContact O-CD1 3.31Å; T63-Y65 PolarHBondContact O-N 3.04Å; Y65-Y72 VanDerWaalsContact CA-O 3.27Å; Y65-Y72 WeakPolarHBondContact CA-O 3.43Å
66	E	57.7	Low	59.4	Low	82 Å²	82	81 Å²	81	38%	0.383	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137	171.3	-152.1	-178.5	173.2	0	0	109.7	Y64 Q68 C71 Y72	Y64-E66 HydrophobicContact CE1-CB 4.16Å; E66-Q68 HydrophobicContact CG-CG 4.5Å; E66-Q68 PolarHBondContact OE1-NE2 3.31Å; E66-C71 WeakPolarHBondContact O-CA 3.49Å; E66-Y72 PolarHBondContact N-O 2.91Å; E66-Y72 VanDerWaalsContact N-O 3.1Å; E66-Y72 PolarHBondContact O-N 2.82Å
67	C	60.3	Low	59	Low	40 Å²	40	83.5 Å²	83.5	27%	0.27	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	88.4	-178.8	176.3	0	0	0	0	109.9	C50 A53	C50-C67 HydrophobicContact CB-CB 3.98Å; C50-C67 WeakPolarHBondContact CB-SG 3.33Å; C50-C67 WeakPolarHBondContact SG-CA 2.87Å; C50-C67 WeakPolarHBondContact SG-CB 3.29Å; C50-C67 CovalentContact SG-SG 2.02Å; C50-C67 PolarHBondContact SG-SG 2Å; A53-C67 HydrophobicContact CB-CB 4.26Å
68	Q	57.4	Low	58.6	Low	157 Å²	157	83.9 Å²	83.9	73%	0.734	40%	0.403	S	S	*	.	S	Bend	trans	-100.3	-33.3	173.1	-69.9	-170.1	8.2	0	0	112.6	E66	E66-Q68 HydrophobicContact CG-CG 4.5Å; E66-Q68 PolarHBondContact OE1-NE2 3.31Å
69	K	53.5	Low	58	Low	183 Å²	183	83.7 Å²	83.7	80%	0.796	40%	0.402	S	S	*	.	S	Bend	trans	-157.9	-29.7	172.2	-78.9	-177.8	-178.7	166.2	0	111.6	C50	C50-K69 PolarHBondContact N-O 3.45Å
70	S	55.9	Low	57.2	Low	33 Å²	33	91.2 Å²	91.2	23%	0.231	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.6	169.9	31.1	0	0	0	0	108.1	Y48 Y72	Y48-S70 CarbonylContact O-C 3.55Å; Y48-S70 VanDerWaalsContact O-CA 3.27Å; Y48-S70 WeakPolarHBondContact O-CA 3.31Å; S70-Y72 PolarHBondContact O-N 2.98Å
71	C	59	Low	56.2	Low	0 Å²	0	96.4 Å²	96.4	0%	0	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	113.7	163.7	-64.7	0	0	0	0	106.5	E47 Y48 C50 C56 E66 I73	E47-C71 WeakPolarHBondContact CA-O 3.35Å; Y48-C71 PolarHBondContact N-O 3.47Å; Y48-C71 WeakPolarHBondContact O-CB 3.38Å; Y48-C71 PolarHBondContact O-N 3.01Å; C50-C71 HydrophobicContact CB-CB 4.31Å; C50-C71 WeakPolarHBondContact CB-SG 3.41Å; C56-C71 WeakPolarHBondContact CA-SG 3.32Å; C56-C71 HydrophobicContact CB-CB 3.7Å; C56-C71 WeakPolarHBondContact CB-SG 3.14Å; C56-C71 WeakPolarHBondContact SG-CA 3.31Å; C56-C71 WeakPolarHBondContact SG-CB 2.93Å; C56-C71 CovalentContact SG-SG 2.01Å; C56-C71 PolarHBondContact SG-SG 2.93Å; E66-C71 WeakPolarHBondContact O-CA 3.49Å; C71-I73 HydrophobicContact CB-CD1 4.3Å; C71-I73 HydrophobicContact CB-CG1 4.14Å
72	Y	60.1	Low	55.4	Low	89 Å²	89	102.9 Å²	102.9	35%	0.349	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120	163.4	-156.3	-98.4	0	0	0	107	T45 E47 Y65 E66 S70 E74	T45-Y72 HydrophobicContact CG2-CE1 3.84Å; E47-Y72 HydrophobicContact CG-CD2 4.13Å; E47-Y72 HydrophobicContact CG-CE2 4.5Å; Y65-Y72 VanDerWaalsContact CA-O 3.27Å; Y65-Y72 WeakPolarHBondContact CA-O 3.43Å; E66-Y72 PolarHBondContact N-O 2.91Å; E66-Y72 VanDerWaalsContact N-O 3.1Å; E66-Y72 PolarHBondContact O-N 2.82Å; S70-Y72 PolarHBondContact O-N 2.98Å; Y72-E74 HydrophobicContact CD1-CG 3.98Å; Y72-E74 HydrophobicContact CE1-CG 3.68Å
73	I	63.3	Low	55.3	Low	2 Å²	2	98.4 Å²	98.4	1%	0.01	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.3	-176.6	-55.3	178.4	0	0	0	108.6	T45 I59 C60 T63 Y64 C71	T45-I73 WeakPolarHBondContact CA-O 3.31Å; I59-I73 HydrophobicContact CB-CD1 3.97Å; I59-I73 HydrophobicContact CG2-CD1 3.65Å; C60-I73 HydrophobicContact CB-CD1 4.19Å; C60-I73 HydrophobicContact CB-CG2 3.61Å; T63-I73 WeakPolarHBondContact OG1-CG2 3.06Å; Y64-I73 WeakPolarHBondContact O-CA 3.27Å; C71-I73 HydrophobicContact CB-CD1 4.3Å; C71-I73 HydrophobicContact CB-CG1 4.14Å
74	E	57.6	Low	55.1	Low	62 Å²	62	102.7 Å²	102.7	29%	0.29	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.1	177	-78.9	-173.9	162.7	0	0	111.2	T45 T63 Y64 Y72 Y76	T45-E74 HydrophobicContact CG2-CG 4.01Å; T63-E74 WeakPolarHBondContact CB-O 3.29Å; Y64-E74 PolarHBondContact N-O 2.86Å; Y64-E74 PolarHBondContact O-N 2.59Å; Y72-E74 HydrophobicContact CD1-CG 3.98Å; Y72-E74 HydrophobicContact CE1-CG 3.68Å; E74-Y76 HydrophobicContact CB-CD2 4.45Å; E74-Y76 HydrophobicContact CB-CE2 4.19Å; E74-Y76 PolarHBondContact O-N 3.44Å
75	V	57.4	Low	55	Low	29 Å²	29	100.9 Å²	100.9	18%	0.176	49%	0.49	C	S	.	.			trans	-86.4	104.8	177.7	-163.3	0	0	0	0	111.2	S42 T63	S42-V75 VanDerWaalsContact CA-CG1 3.44Å; T63-V75 VanDerWaalsContact CG2-CA 3.41Å; T63-V75 HydrophobicContact CG2-CB 3.72Å; T63-V75 HydrophobicContact CG2-CG1 3.47Å; T63-V75 VanDerWaalsContact CG2-CG1 3.47Å; T63-V75 HydrophobicContact CG2-CG2 3.84Å
76	Y	54.2	Low	54.5	Low	182 Å²	182	101.8 Å²	101.8	71%	0.714	50%	0.499	S	S	*	.			trans	-84.7	117	172	-82.5	-87.8	0	0	0	110.2	E74 S78	E74-Y76 HydrophobicContact CB-CD2 4.45Å; E74-Y76 HydrophobicContact CB-CE2 4.19Å; E74-Y76 PolarHBondContact O-N 3.44Å; Y76-S78 PolarHBondContact O-N 3.33Å
77	N	51.8	Low	54.3	Low	53 Å²	53	103 Å²	103	28%	0.283	51%	0.506	S	S	.	.			trans	-74.6	119.1	175.6	-163.7	-5.2	0	0	0	109.5	F43 N79 E80	F43-N77 VanDerWaalsContact CZ-ND2 3.29Å; F43-N77 WeakPolarHBondContact CZ-ND2 2.98Å; N77-N79 PolarHBondContact O-N 3.43Å; N77-N79 PolarHBondContact OD1-N 3Å; N77-E80 PolarHBondContact O-N 3.05Å
78	S	54.4	Low	53.9	Low	107 Å²	107	107.2 Å²	107.2	75%	0.748	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	2.5	177.1	56.4	0	0	0	0	114.1	Y76	Y76-S78 PolarHBondContact O-N 3.33Å
79	N	51.7	Low	53.7	Low	129 Å²	129	103.6 Å²	103.6	69%	0.69	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.6	177.4	-74.6	-0.2	0	0	0	114.4	N77 T81	N77-N79 PolarHBondContact O-N 3.43Å; N77-N79 PolarHBondContact OD1-N 3Å; N79-T81 PolarHBondContact O-N 3.19Å
80	E	48.2	Very low	53.7	Low	176 Å²	176	97.5 Å²	97.5	82%	0.822	49%	0.485	S	S	*	.			trans	-87.2	67.2	162.9	-71.3	-169.5	164.4	0	0	109.4	N77 F82	N77-E80 PolarHBondContact O-N 3.05Å; E80-F82 PolarHBondContact O-N 3.33Å
81	T	40.9	Very low	53.5	Low	117 Å²	117	102.9 Å²	102.9	72%	0.718	51%	0.506	S	S	*	.			trans	-74.6	115	160.2	45.4	0	0	0	0	108.4	N79	N79-T81 PolarHBondContact O-N 3.19Å
82	F	43.6	Very low	53	Low	289 Å²	289	112.3 Å²	112.3	100%	1.268	55%	0.552	S	S	*	*			trans	35.5	0	143.1	-96.7	-93.7	0	0	0	119.4	E80	E80-F82 PolarHBondContact O-N 3.33Å

Retrieved 82 of 82 residues in 16.2 ms (Link to these results)

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