A0A5K4F201_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F201, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 aa.

						>A0A5K4F201_SCHMA|A0A5K4F201
MISHMFKWYIAVVILCTSSMMEIESATFTVPIEFYETGQMYVSLDGVNISLNSNHMLTMKNRHCTTTISLTSPSVEEIATQTGYREGTVLCRPRISYRS
					

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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	63.2	Low	82.8	Confident	199 Å²	199	128.6 Å²	128.6	98%	0.98	62%	0.618	S	S	*	*				0	-49.2	0	-77.1	170.6	70.1	0	0	113.2	S3 H4 M5	M1-S3 PolarHBondContact O-N 3.13Å; M1-H4 PolarHBondContact O-N 3.28Å; M1-H4 VanDerWaalsContact O-N 3.16Å; M1-M5 PolarHBondContact O-N 3.17Å
2	I	74.9	Confident	83.3	Confident	157 Å²	157	124.7 Å²	124.7	81%	0.805	61%	0.607	S	S	*	*	H	α-helix	trans	-55.2	-40.8	-177.7	-108.8	154.6	0	0	0	114.8	H4 M5 F6	I2-H4 PolarHBondContact O-N 3.31Å; I2-M5 PolarHBondContact O-N 3.16Å; I2-F6 PolarHBondContact O-N 3.43Å
3	S	82.6	Confident	83.6	Confident	74 Å²	74	119.5 Å²	119.5	52%	0.517	59%	0.587	S	S	.	*	H	α-helix	trans	-65	-37.1	179.4	179.4	0	0	0	0	113	M1 F6 K7	M1-S3 PolarHBondContact O-N 3.13Å; S3-F6 PolarHBondContact O-N 3.03Å; S3-K7 PolarHBondContact O-N 3Å; S3-K7 VanDerWaalsContact O-N 3.13Å
4	H	81	Confident	83.6	Confident	124 Å²	124	118.2 Å²	118.2	57%	0.574	58%	0.582	S	S	*	*	H	α-helix	trans	-69.9	-42.4	176	-73.2	-86	0	0	0	111.2	M1 I2 F6 K7 W8	M1-H4 PolarHBondContact O-N 3.28Å; M1-H4 VanDerWaalsContact O-N 3.16Å; I2-H4 PolarHBondContact O-N 3.31Å; H4-F6 VanDerWaalsContact C-N 3.28Å; H4-F6 PolarHBondContact O-N 3.25Å; H4-K7 PolarHBondContact O-N 3.37Å; H4-W8 PolarHBondContact O-N 3.48Å
5	M	82.5	Confident	83.6	Confident	134 Å²	134	118.5 Å²	118.5	66%	0.66	59%	0.587	S	S	*	*	H	α-helix	trans	-58.9	-40.5	175.6	-63.4	-62.7	-72.6	0	0	111.6	M1 I2 W8 Y9	M1-M5 PolarHBondContact O-N 3.17Å; I2-M5 PolarHBondContact O-N 3.16Å; M5-W8 PolarHBondContact O-N 2.92Å; M5-Y9 WeakPolarHBondContact O-CB 3.38Å; M5-Y9 PolarHBondContact O-N 3.45Å
6	F	85.7	Confident	83.4	Confident	132 Å²	132	115.4 Å²	115.4	58%	0.579	58%	0.579	S	S	*	*	H	α-helix	trans	-65.6	-43.3	177.2	-170.1	-100.6	0	0	0	112.5	I2 S3 H4 W8 Y9 I10	I2-F6 PolarHBondContact O-N 3.43Å; S3-F6 PolarHBondContact O-N 3.03Å; H4-F6 VanDerWaalsContact C-N 3.28Å; H4-F6 PolarHBondContact O-N 3.25Å; F6-W8 PolarHBondContact O-N 3.48Å; F6-Y9 PolarHBondContact O-N 3.48Å; F6-I10 HydrophobicContact CD1-CG1 4.13Å; F6-I10 HydrophobicContact CE1-CD1 4.24Å; F6-I10 HydrophobicContact CE1-CG1 3.77Å; F6-I10 HydrophobicContact CE2-CD1 4.39Å; F6-I10 HydrophobicContact CE2-CG1 4.47Å; F6-I10 HydrophobicContact CZ-CD1 3.94Å; F6-I10 HydrophobicContact CZ-CG1 3.97Å; F6-I10 WeakPolarHBondContact O-CG1 3.36Å; F6-I10 PolarHBondContact O-N 2.97Å
7	K	86.4	Confident	83.1	Confident	142 Å²	142	114.1 Å²	114.1	62%	0.617	58%	0.578	S	S	*	*	H	α-helix	trans	-60.1	-45	175.3	-75.7	-176.5	178.2	-176.1	0	112.2	S3 H4 I10 A11	S3-K7 PolarHBondContact O-N 3Å; S3-K7 VanDerWaalsContact O-N 3.13Å; H4-K7 PolarHBondContact O-N 3.37Å; K7-I10 PolarHBondContact O-N 3.28Å; K7-A11 WeakPolarHBondContact O-CB 3.32Å; K7-A11 PolarHBondContact O-N 3Å
8	W	88	Confident	82.4	Confident	182 Å²	182	111.6 Å²	111.6	69%	0.689	57%	0.573	S	S	*	*	H	α-helix	trans	-64.3	-40.7	176.6	-76.9	110.7	0	0	0	112	H4 M5 F6 A11 V12	H4-W8 PolarHBondContact O-N 3.48Å; M5-W8 PolarHBondContact O-N 2.92Å; F6-W8 PolarHBondContact O-N 3.48Å; W8-A11 PolarHBondContact O-N 3.32Å; W8-V12 VanDerWaalsContact O-CG2 3.31Å; W8-V12 WeakPolarHBondContact O-CG2 3.46Å; W8-V12 PolarHBondContact O-N 2.9Å
9	Y	89	Confident	81.7	Confident	151 Å²	151	109.6 Å²	109.6	59%	0.592	57%	0.57	S	S	*	*	H	α-helix	trans	-60.4	-49.6	175.8	178.9	-100.8	0	0	0	112	M5 F6 A11 V12 V13	M5-Y9 WeakPolarHBondContact O-CB 3.38Å; M5-Y9 PolarHBondContact O-N 3.45Å; F6-Y9 PolarHBondContact O-N 3.48Å; Y9-A11 VanDerWaalsContact C-N 3.32Å; Y9-A11 PolarHBondContact O-N 3.4Å; Y9-V12 PolarHBondContact O-N 3.48Å; Y9-V13 HydrophobicContact CD1-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.86Å; Y9-V13 HydrophobicContact CE2-CG2 4.16Å; Y9-V13 WeakPolarHBondContact O-CG2 3.42Å; Y9-V13 PolarHBondContact O-N 3.01Å
10	I	88.7	Confident	81	Confident	68 Å²	68	111.4 Å²	111.4	35%	0.349	58%	0.577	S	S	.	*	H	α-helix	trans	-62.1	-40.6	177.8	-62.6	-62.4	0	0	0	111.2	F6 K7 V12 V13 I14	F6-I10 HydrophobicContact CD1-CG1 4.13Å; F6-I10 HydrophobicContact CE1-CD1 4.24Å; F6-I10 HydrophobicContact CE1-CG1 3.77Å; F6-I10 HydrophobicContact CE2-CD1 4.39Å; F6-I10 HydrophobicContact CE2-CG1 4.47Å; F6-I10 HydrophobicContact CZ-CD1 3.94Å; F6-I10 HydrophobicContact CZ-CG1 3.97Å; F6-I10 WeakPolarHBondContact O-CG1 3.36Å; F6-I10 PolarHBondContact O-N 2.97Å; K7-I10 PolarHBondContact O-N 3.28Å; I10-V12 PolarHBondContact O-N 2.87Å; I10-V13 PolarHBondContact O-N 2.91Å; I10-I14 HydrophobicContact CG2-CD1 3.72Å; I10-I14 HydrophobicContact CG2-CG1 4.3Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.31Å; I10-I14 PolarHBondContact O-N 3.26Å
11	A	88.3	Confident	80.4	Confident	52 Å²	52	113.5 Å²	113.5	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-62	-42.7	176.6	0	0	0	0	0	112.4	K7 W8 Y9 I14 L15	K7-A11 WeakPolarHBondContact O-CB 3.32Å; K7-A11 PolarHBondContact O-N 3Å; W8-A11 PolarHBondContact O-N 3.32Å; Y9-A11 VanDerWaalsContact C-N 3.32Å; Y9-A11 PolarHBondContact O-N 3.4Å; A11-I14 PolarHBondContact O-N 3.37Å; A11-L15 WeakPolarHBondContact O-CB 3.48Å; A11-L15 PolarHBondContact O-N 3.25Å
12	V	89.1	Confident	80.5	Confident	81 Å²	81	111.5 Å²	111.5	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-42.8	175.8	171.5	0	0	0	0	111.1	W8 Y9 I10 L15 C16	W8-V12 VanDerWaalsContact O-CG2 3.31Å; W8-V12 WeakPolarHBondContact O-CG2 3.46Å; W8-V12 PolarHBondContact O-N 2.9Å; Y9-V12 PolarHBondContact O-N 3.48Å; I10-V12 PolarHBondContact O-N 2.87Å; V12-L15 PolarHBondContact O-N 3.43Å; V12-C16 WeakPolarHBondContact O-CB 3.37Å; V12-C16 PolarHBondContact O-N 3.36Å; V12-C16 PolarHBondContact O-SG 3.32Å; V12-C16 VanDerWaalsContact O-SG 3.37Å
13	V	86.8	Confident	80.4	Confident	58 Å²	58	111.3 Å²	111.3	35%	0.352	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-46.3	176.5	171.9	0	0	0	0	111	Y9 I10 L15 C16 T17	Y9-V13 HydrophobicContact CD1-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.86Å; Y9-V13 HydrophobicContact CE2-CG2 4.16Å; Y9-V13 WeakPolarHBondContact O-CG2 3.42Å; Y9-V13 PolarHBondContact O-N 3.01Å; I10-V13 PolarHBondContact O-N 2.91Å; V13-L15 PolarHBondContact O-N 3.48Å; V13-C16 PolarHBondContact O-N 3.26Å; V13-T17 WeakPolarHBondContact O-CG2 3.32Å; V13-T17 PolarHBondContact O-N 2.95Å; V13-T17 PolarHBondContact O-OG1 3.42Å
14	I	84.9	Confident	80	Confident	101 Å²	101	116.3 Å²	116.3	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-59.6	-47.8	176.6	-68.6	167.1	0	0	0	110.2	I10 A11 C16 T17 S18	I10-I14 HydrophobicContact CG2-CD1 3.72Å; I10-I14 HydrophobicContact CG2-CG1 4.3Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.31Å; I10-I14 PolarHBondContact O-N 3.26Å; A11-I14 PolarHBondContact O-N 3.37Å; I14-C16 PolarHBondContact O-N 3.42Å; I14-T17 WeakPolarHBondContact CA-OG1 3.33Å; I14-T17 PolarHBondContact O-N 3.49Å; I14-T17 PolarHBondContact O-OG1 2.94Å; I14-S18 PolarHBondContact O-N 3.47Å; I14-S18 PolarHBondContact O-OG 3.48Å
15	L	82.8	Confident	80	Confident	123 Å²	123	115.7 Å²	115.7	64%	0.644	60%	0.599	S	S	*	*	H	α-helix	trans	-58.8	-46.3	178.2	-164.5	74.4	0	0	0	111.4	A11 V12 V13 T17 S18 S19	A11-L15 WeakPolarHBondContact O-CB 3.48Å; A11-L15 PolarHBondContact O-N 3.25Å; V12-L15 PolarHBondContact O-N 3.43Å; V13-L15 PolarHBondContact O-N 3.48Å; L15-T17 PolarHBondContact O-N 2.95Å; L15-S18 WeakPolarHBondContact CA-OG 3.36Å; L15-S18 PolarHBondContact O-N 3.35Å; L15-S18 PolarHBondContact O-OG 2.9Å; L15-S19 PolarHBondContact O-N 2.99Å; L15-S19 VanDerWaalsContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 2.92Å
16	C	80.4	Confident	80.1	Confident	69 Å²	69	113.3 Å²	113.3	47%	0.466	60%	0.6	S	S	.	*	H	α-helix	trans	-60.2	-42.4	175.6	-77	0	0	0	0	112.5	V12 V13 I14 S19 M20	V12-C16 WeakPolarHBondContact O-CB 3.37Å; V12-C16 PolarHBondContact O-N 3.36Å; V12-C16 PolarHBondContact O-SG 3.32Å; V12-C16 VanDerWaalsContact O-SG 3.37Å; V13-C16 PolarHBondContact O-N 3.26Å; I14-C16 PolarHBondContact O-N 3.42Å; C16-S19 PolarHBondContact O-OG 3.3Å; C16-M20 VanDerWaalsContact O-CG 3.3Å; C16-M20 WeakPolarHBondContact O-CG 3.26Å
17	T	77.6	Confident	80.1	Confident	92 Å²	92	114 Å²	114	56%	0.564	62%	0.616	S	S	*	*	H	α-helix	trans	-69.4	-34	177.7	56.3	0	0	0	0	112.7	V13 I14 L15 M20	V13-T17 WeakPolarHBondContact O-CG2 3.32Å; V13-T17 PolarHBondContact O-N 2.95Å; V13-T17 PolarHBondContact O-OG1 3.42Å; I14-T17 WeakPolarHBondContact CA-OG1 3.33Å; I14-T17 PolarHBondContact O-N 3.49Å; I14-T17 PolarHBondContact O-OG1 2.94Å; L15-T17 PolarHBondContact O-N 2.95Å; T17-M20 PolarHBondContact O-N 3.21Å
18	S	71.8	Confident	80.2	Confident	70 Å²	70	113.8 Å²	113.8	49%	0.49	62%	0.615	S	S	.	*	H	α-helix	trans	-70	-31.6	178.2	63	0	0	0	0	113.2	I14 L15 M20	I14-S18 PolarHBondContact O-N 3.47Å; I14-S18 PolarHBondContact O-OG 3.48Å; L15-S18 WeakPolarHBondContact CA-OG 3.36Å; L15-S18 PolarHBondContact O-N 3.35Å; L15-S18 PolarHBondContact O-OG 2.9Å; S18-M20 VanDerWaalsContact C-N 3.25Å; S18-M20 PolarHBondContact O-N 3.29Å
19	S	68.3	Low	80.3	Confident	73 Å²	73	111.9 Å²	111.9	51%	0.51	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	-15.1	176.5	50.3	0	0	0	0	114.3	L15 C16	L15-S19 PolarHBondContact O-N 2.99Å; L15-S19 VanDerWaalsContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 2.92Å; C16-S19 PolarHBondContact O-OG 3.3Å
20	M	68.1	Low	80.3	Confident	145 Å²	145	106.5 Å²	106.5	71%	0.714	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	3.7	-175	-64.1	-68.7	145.1	0	0	113.7	C16 T17 S18 E22	C16-M20 VanDerWaalsContact O-CG 3.3Å; C16-M20 WeakPolarHBondContact O-CG 3.26Å; T17-M20 PolarHBondContact O-N 3.21Å; S18-M20 VanDerWaalsContact C-N 3.25Å; S18-M20 PolarHBondContact O-N 3.29Å; M20-E22 PolarHBondContact O-N 3.13Å
21	M	67.6	Low	80.5	Confident	156 Å²	156	107.7 Å²	107.7	77%	0.768	62%	0.618	S	S	*	*			trans	-81.8	61.9	173.2	-143.7	177.5	-59	0	0	109.4	I23	M21-I23 PolarHBondContact O-N 2.84Å
22	E	65.5	Low	80.7	Confident	158 Å²	158	109.9 Å²	109.9	74%	0.738	62%	0.622	S	S	*	*			trans	-70.9	106.2	169.3	-73	-175.3	160.9	0	0	107.7	M20 E24	M20-E22 PolarHBondContact O-N 3.13Å; E22-E24 PolarHBondContact O-N 2.83Å; E22-E24 VanDerWaalsContact O-N 3.08Å
23	I	72.7	Confident	81	Confident	152 Å²	152	109.7 Å²	109.7	78%	0.779	62%	0.615	S	S	*	*			trans	-75.3	96.3	169.7	-58.6	172.4	0	0	0	106.1	M21 S25	M21-I23 PolarHBondContact O-N 2.84Å; I23-S25 PolarHBondContact O-N 3.16Å
24	E	75.5	Confident	81.2	Confident	180 Å²	180	112.9 Å²	112.9	84%	0.841	63%	0.625	S	S	*	*			trans	-67.4	100.4	169.6	-70.5	-173.8	168.3	0	0	108.9	E22	E22-E24 PolarHBondContact O-N 2.83Å; E22-E24 VanDerWaalsContact O-N 3.08Å
25	S	81	Confident	81.4	Confident	111 Å²	111	111.4 Å²	111.4	78%	0.776	61%	0.613	S	S	*	*			trans	-87.5	125.2	172	64	0	0	0	0	109.9	I23	I23-S25 PolarHBondContact O-N 3.16Å
26	A	83.1	Confident	81.8	Confident	84 Å²	84	115.6 Å²	115.6	69%	0.694	63%	0.63	S	S	*	*			trans	-113.9	129.9	168.5	0	0	0	0	0	109.8
27	T	86.6	Confident	82.2	Confident	147 Å²	147	118 Å²	118	90%	0.902	64%	0.642	S	S	*	*			trans	-95.8	129.4	168.6	54.4	0	0	0	0	108.8
28	F	88.6	Confident	82.8	Confident	137 Å²	137	116.1 Å²	116.1	60%	0.601	64%	0.641	S	S	*	*			trans	-136.3	157.7	177	59.8	-87.1	0	0	0	110.3	V30 L44	F28-V30 HydrophobicContact CD2-CG2 3.5Å; F28-V30 HydrophobicContact CE2-CG2 3.37Å; F28-L44 HydrophobicContact CE2-CD1 3.6Å; F28-L44 HydrophobicContact CE2-CD2 4.16Å; F28-L44 HydrophobicContact CZ-CD1 3.99Å; F28-L44 HydrophobicContact CZ-CD2 4.01Å
29	T	89.1	Confident	83.7	Confident	141 Å²	141	115.8 Å²	115.8	87%	0.865	63%	0.632	S	S	*	*			trans	-111.4	127.7	173.6	-56.9	0	0	0	0	107.8
30	V	90.2	Very high	84.8	Confident	39 Å²	39	116.5 Å²	116.5	24%	0.236	63%	0.628	C	S	.	*	P	Polyproline II helix	trans	-101.4	132.4	173.9	-172.4	0	0	0	0	108	F28 V42 S43 L44	F28-V30 HydrophobicContact CD2-CG2 3.5Å; F28-V30 HydrophobicContact CE2-CG2 3.37Å; V30-V42 HydrophobicContact CG1-CB 4.1Å; V30-S43 WeakPolarHBondContact CG1-O 3.42Å; V30-L44 HydrophobicContact CG2-CD1 4.1Å
31	P	91.9	Very high	86.1	Confident	92 Å²	92	111.1 Å²	111.1	60%	0.597	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-61.8	142.3	173.8	27.2	-34.3	0	0	0	110.5
32	I	93.9	Very high	87.5	Confident	99 Å²	99	105.5 Å²	105.5	51%	0.508	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.4	137.9	170.2	61.3	175.2	0	0	0	109.5	F34 M40 V42	I32-F34 HydrophobicContact CD1-CE2 3.94Å; I32-F34 HydrophobicContact CD1-CZ 3.88Å; I32-F34 HydrophobicContact CG1-CE2 4.1Å; I32-F34 HydrophobicContact CG1-CZ 4.47Å; I32-M40 HydrophobicContact CB-CG 4.16Å; I32-M40 HydrophobicContact CB-SD 4.21Å; I32-M40 HydrophobicContact CD1-SD 4.48Å; I32-M40 HydrophobicContact CG2-CG 4.34Å; I32-M40 HydrophobicContact CG2-SD 3.86Å; I32-V42 HydrophobicContact CG2-CG1 4.14Å
33	E	94.1	Very high	88.8	Confident	77 Å²	77	100 Å²	100	36%	0.36	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	162.3	173.7	-68.6	178.5	-137.3	0	0	109.4	M40 Y41	E33-M40 CarbonylContact O-C 3.57Å; E33-M40 WeakPolarHBondContact O-CA 3.5Å; E33-Y41 HydrophobicContact CB-CD1 4.11Å; E33-Y41 HydrophobicContact CB-CD2 4.16Å; E33-Y41 HydrophobicContact CB-CE1 3.63Å; E33-Y41 HydrophobicContact CB-CE2 3.65Å; E33-Y41 HydrophobicContact CB-CG 4.37Å; E33-Y41 HydrophobicContact CG-CE2 4.31Å; E33-Y41 PolarHBondContact N-O 3.27Å; E33-Y41 PolarHBondContact O-N 3.43Å; E33-Y41 VanDerWaalsContact O-O 3.13Å; E33-Y41 WeakPolarHBondContact OE2-CE2 3.39Å; E33-Y41 PolarHBondContact OE2-OH 3.37Å
34	F	92.5	Very high	89.7	Confident	125 Å²	125	95.4 Å²	95.4	55%	0.548	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.1	-178.6	-65.9	-91.6	0	0	0	109.9	I32 Q39 M40	I32-F34 HydrophobicContact CD1-CE2 3.94Å; I32-F34 HydrophobicContact CD1-CZ 3.88Å; I32-F34 HydrophobicContact CG1-CE2 4.1Å; I32-F34 HydrophobicContact CG1-CZ 4.47Å; F34-Q39 WeakPolarHBondContact CA-O 3.4Å; F34-M40 HydrophobicContact CD1-CB 4.22Å; F34-M40 HydrophobicContact CE1-CB 3.96Å; F34-M40 HydrophobicContact CE1-CG 4.44Å
35	Y	89	Confident	90.4	Very high	70 Å²	70	94.3 Å²	94.3	28%	0.275	53%	0.53	S	S	.	.			trans	-66.2	161.2	165.6	-67.2	-60.2	0	0	0	110.1	T37 G38 Q39 Y41	Y35-T37 PolarHBondContact O-N 3.32Å; Y35-G38 WeakPolarHBondContact O-CA 3.23Å; Y35-G38 PolarHBondContact O-N 2.9Å; Y35-Q39 HydrophobicContact CD2-CB 4.08Å; Y35-Q39 HydrophobicContact CD2-CG 4.14Å; Y35-Q39 WeakPolarHBondContact CD2-O 3.3Å; Y35-Q39 PolarHBondContact N-O 2.85Å; Y35-Y41 AromaticContact CD1-CD1 3.82Å; Y35-Y41 HydrophobicContact CD1-CD1 3.82Å; Y35-Y41 AromaticContact CD1-CE1 3.64Å; Y35-Y41 HydrophobicContact CD1-CE1 3.64Å; Y35-Y41 AromaticContact CD2-CD1 3.61Å; Y35-Y41 HydrophobicContact CD2-CD1 3.61Å; Y35-Y41 HydrophobicContact CD2-CE1 4.27Å; Y35-Y41 HydrophobicContact CD2-CG 4.38Å; Y35-Y41 AromaticContact CE1-CD1 3.58Å; Y35-Y41 HydrophobicContact CE1-CD1 3.58Å; Y35-Y41 AromaticContact CE1-CE1 3.53Å; Y35-Y41 HydrophobicContact CE1-CE1 3.53Å; Y35-Y41 HydrophobicContact CE1-CG 4.17Å; Y35-Y41 AromaticContact CE2-CD1 3.41Å; Y35-Y41 HydrophobicContact CE2-CD1 3.41Å; Y35-Y41 VanDerWaalsContact CE2-CD1 3.41Å; Y35-Y41 HydrophobicContact CE2-CE1 4.22Å; Y35-Y41 AromaticContact CE2-CG 3.75Å; Y35-Y41 HydrophobicContact CE2-CG 3.75Å; Y35-Y41 AromaticContact CG-CD1 3.81Å; Y35-Y41 HydrophobicContact CG-CD1 3.81Å; Y35-Y41 AromaticContact CG-CE1 4Å; Y35-Y41 HydrophobicContact CG-CE1 4Å; Y35-Y41 AromaticContact CZ-CD1 3.35Å; Y35-Y41 AromaticContact CZ-CE1 3.83Å; Y35-Y41 AromaticContact CZ-CG 3.6Å
36	E	90.6	Very high	90.8	Very high	211 Å²	211	91.1 Å²	91.1	99%	0.986	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.4	174.3	-64.1	179.1	178.3	0	0	112.9	G38	E36-G38 PolarHBondContact O-N 3.46Å
37	T	89.4	Confident	91.4	Very high	118 Å²	118	89.3 Å²	89.3	72%	0.724	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.9	174.4	59.8	0	0	0	0	114	Y35 Q39	Y35-T37 PolarHBondContact O-N 3.32Å; T37-Q39 PolarHBondContact O-N 3.19Å; T37-Q39 WeakPolarHBondContact OG1-CB 3.39Å; T37-Q39 PolarHBondContact OG1-N 3.31Å
38	G	89.3	Confident	91.8	Very high	53 Å²	53	84.2 Å²	84.2	55%	0.546	46%	0.463	S	S	.	.	S	Bend	trans	78.9	3	-171.6	0	0	0	0	0	114	Y35 E36	Y35-G38 WeakPolarHBondContact O-CA 3.23Å; Y35-G38 PolarHBondContact O-N 2.9Å; E36-G38 PolarHBondContact O-N 3.46Å
39	Q	90.3	Very high	92.1	Very high	63 Å²	63	80.1 Å²	80.1	29%	0.294	45%	0.446	S	S	.	.			trans	-76.6	128.8	177.7	175.8	174.1	86.8	0	0	111.2	F34 Y35 T37	F34-Q39 WeakPolarHBondContact CA-O 3.4Å; Y35-Q39 HydrophobicContact CD2-CB 4.08Å; Y35-Q39 HydrophobicContact CD2-CG 4.14Å; Y35-Q39 WeakPolarHBondContact CD2-O 3.3Å; Y35-Q39 PolarHBondContact N-O 2.85Å; T37-Q39 PolarHBondContact O-N 3.19Å; T37-Q39 WeakPolarHBondContact OG1-CB 3.39Å; T37-Q39 PolarHBondContact OG1-N 3.31Å
40	M	92.8	Very high	92.4	Very high	89 Å²	89	73.8 Å²	73.8	44%	0.438	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.3	175.3	-177.2	-175.6	67.9	0	0	112	I32 E33 F34 S50	I32-M40 HydrophobicContact CB-CG 4.16Å; I32-M40 HydrophobicContact CB-SD 4.21Å; I32-M40 HydrophobicContact CD1-SD 4.48Å; I32-M40 HydrophobicContact CG2-CG 4.34Å; I32-M40 HydrophobicContact CG2-SD 3.86Å; E33-M40 CarbonylContact O-C 3.57Å; E33-M40 WeakPolarHBondContact O-CA 3.5Å; F34-M40 HydrophobicContact CD1-CB 4.22Å; F34-M40 HydrophobicContact CE1-CB 3.96Å; F34-M40 HydrophobicContact CE1-CG 4.44Å; M40-S50 WeakPolarHBondContact O-CB 3.37Å
41	Y	95.3	Very high	92.6	Very high	32 Å²	32	76.1 Å²	76.1	13%	0.125	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.8	164.3	70.7	-85.7	0	0	0	110.8	E33 Y35 N48 I49	E33-Y41 HydrophobicContact CB-CD1 4.11Å; E33-Y41 HydrophobicContact CB-CD2 4.16Å; E33-Y41 HydrophobicContact CB-CE1 3.63Å; E33-Y41 HydrophobicContact CB-CE2 3.65Å; E33-Y41 HydrophobicContact CB-CG 4.37Å; E33-Y41 HydrophobicContact CG-CE2 4.31Å; E33-Y41 PolarHBondContact N-O 3.27Å; E33-Y41 PolarHBondContact O-N 3.43Å; E33-Y41 VanDerWaalsContact O-O 3.13Å; E33-Y41 WeakPolarHBondContact OE2-CE2 3.39Å; E33-Y41 PolarHBondContact OE2-OH 3.37Å; Y35-Y41 AromaticContact CD1-CD1 3.82Å; Y35-Y41 HydrophobicContact CD1-CD1 3.82Å; Y35-Y41 AromaticContact CD1-CE1 3.64Å; Y35-Y41 HydrophobicContact CD1-CE1 3.64Å; Y35-Y41 AromaticContact CD2-CD1 3.61Å; Y35-Y41 HydrophobicContact CD2-CD1 3.61Å; Y35-Y41 HydrophobicContact CD2-CE1 4.27Å; Y35-Y41 HydrophobicContact CD2-CG 4.38Å; Y35-Y41 AromaticContact CE1-CD1 3.58Å; Y35-Y41 HydrophobicContact CE1-CD1 3.58Å; Y35-Y41 AromaticContact CE1-CE1 3.53Å; Y35-Y41 HydrophobicContact CE1-CE1 3.53Å; Y35-Y41 HydrophobicContact CE1-CG 4.17Å; Y35-Y41 AromaticContact CE2-CD1 3.41Å; Y35-Y41 HydrophobicContact CE2-CD1 3.41Å; Y35-Y41 VanDerWaalsContact CE2-CD1 3.41Å; Y35-Y41 HydrophobicContact CE2-CE1 4.22Å; Y35-Y41 AromaticContact CE2-CG 3.75Å; Y35-Y41 HydrophobicContact CE2-CG 3.75Å; Y35-Y41 AromaticContact CG-CD1 3.81Å; Y35-Y41 HydrophobicContact CG-CD1 3.81Å; Y35-Y41 AromaticContact CG-CE1 4Å; Y35-Y41 HydrophobicContact CG-CE1 4Å; Y35-Y41 AromaticContact CZ-CD1 3.35Å; Y35-Y41 AromaticContact CZ-CE1 3.83Å; Y35-Y41 AromaticContact CZ-CG 3.6Å; Y41-N48 HydrophobicContact CD2-CB 4.25Å; Y41-I49 CarbonylContact C-O 3.57Å; Y41-I49 VanDerWaalsContact CA-O 3.29Å; Y41-I49 WeakPolarHBondContact CA-O 3.16Å; Y41-I49 WeakPolarHBondContact CB-O 3.36Å
42	V	95.7	Very high	92.5	Very high	38 Å²	38	73.8 Å²	73.8	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.9	169.3	-64.2	0	0	0	0	108.9	V30 I32 N48 I49	V30-V42 HydrophobicContact CG1-CB 4.1Å; I32-V42 HydrophobicContact CG2-CG1 4.14Å; V42-N48 CarbonylContact O-C 3.55Å; V42-N48 WeakPolarHBondContact O-CA 3.27Å; V42-I49 HydrophobicContact CG2-CB 3.86Å; V42-I49 PolarHBondContact N-O 3.33Å; V42-I49 PolarHBondContact O-N 2.73Å
43	S	93	Very high	92.3	Very high	43 Å²	43	74.3 Å²	74.3	30%	0.301	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.4	172.3	-159.2	0	0	0	0	109.3	V30 N48	V30-S43 WeakPolarHBondContact CG1-O 3.42Å; S43-N48 WeakPolarHBondContact CB-OD1 3.4Å; S43-N48 PolarHBondContact OG-OD1 2.83Å
44	L	91.7	Very high	92.1	Very high	55 Å²	55	75.8 Å²	75.8	29%	0.288	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.7	177	-177.7	63.1	0	0	0	109.1	F28 V30 G46 V47	F28-L44 HydrophobicContact CE2-CD1 3.6Å; F28-L44 HydrophobicContact CE2-CD2 4.16Å; F28-L44 HydrophobicContact CZ-CD1 3.99Å; F28-L44 HydrophobicContact CZ-CD2 4.01Å; V30-L44 HydrophobicContact CG2-CD1 4.1Å; L44-G46 PolarHBondContact O-N 3.26Å; L44-G46 VanDerWaalsContact O-N 3.09Å; L44-V47 PolarHBondContact N-O 3.13Å; L44-V47 WeakPolarHBondContact O-CA 3.46Å; L44-V47 WeakPolarHBondContact O-CB 3.3Å; L44-V47 PolarHBondContact O-N 2.75Å
45	D	90	Very high	92	Very high	156 Å²	156	74 Å²	74	83%	0.834	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38.4	175.8	-60.9	-26.2	0	0	0	114.6	V47	D45-V47 VanDerWaalsContact C-N 3.28Å; D45-V47 PolarHBondContact O-N 3.32Å
46	G	90.4	Very high	92.3	Very high	45 Å²	45	73 Å²	73	46%	0.464	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	11.5	-179.6	0	0	0	0	0	114.7	L44	L44-G46 PolarHBondContact O-N 3.26Å; L44-G46 VanDerWaalsContact O-N 3.09Å
47	V	94.5	Very high	92.5	Very high	46 Å²	46	64.8 Å²	64.8	28%	0.279	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.6	169.5	-171.6	0	0	0	0	108.9	L44 D45 I49 M59 K60 N61	L44-V47 PolarHBondContact N-O 3.13Å; L44-V47 WeakPolarHBondContact O-CA 3.46Å; L44-V47 WeakPolarHBondContact O-CB 3.3Å; L44-V47 PolarHBondContact O-N 2.75Å; D45-V47 VanDerWaalsContact C-N 3.28Å; D45-V47 PolarHBondContact O-N 3.32Å; V47-I49 HydrophobicContact CG1-CG1 4.03Å; V47-M59 HydrophobicContact CG1-CB 4.16Å; V47-K60 CarbonylContact C-O 3.55Å; V47-K60 WeakPolarHBondContact CA-O 3.22Å; V47-N61 HydrophobicContact CG2-CB 4.28Å
48	N	95.2	Very high	92.9	Very high	40 Å²	40	60.7 Å²	60.7	21%	0.214	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.9	169.8	-67.9	-4	0	0	0	108.7	Y41 V42 S43 M59 K60	Y41-N48 HydrophobicContact CD2-CB 4.25Å; V42-N48 CarbonylContact O-C 3.55Å; V42-N48 WeakPolarHBondContact O-CA 3.27Å; S43-N48 WeakPolarHBondContact CB-OD1 3.4Å; S43-N48 PolarHBondContact OG-OD1 2.83Å; N48-M59 CarbonylContact O-C 3.59Å; N48-M59 WeakPolarHBondContact O-CA 3.3Å; N48-K60 HydrophobicContact CB-CB 4.44Å; N48-K60 PolarHBondContact N-O 2.92Å; N48-K60 PolarHBondContact O-N 3.34Å
49	I	95.3	Very high	93.2	Very high	51 Å²	51	61.5 Å²	61.5	26%	0.262	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.9	-178.1	-53.5	170.5	0	0	0	107.5	Y41 V42 V47 L57 T58	Y41-I49 CarbonylContact C-O 3.57Å; Y41-I49 VanDerWaalsContact CA-O 3.29Å; Y41-I49 WeakPolarHBondContact CA-O 3.16Å; Y41-I49 WeakPolarHBondContact CB-O 3.36Å; V42-I49 HydrophobicContact CG2-CB 3.86Å; V42-I49 PolarHBondContact N-O 3.33Å; V42-I49 PolarHBondContact O-N 2.73Å; V47-I49 HydrophobicContact CG1-CG1 4.03Å; I49-L57 HydrophobicContact CG2-CD1 3.67Å; I49-T58 WeakPolarHBondContact CA-O 3.41Å
50	S	95.4	Very high	93.4	Very high	7 Å²	7	63.1 Å²	63.1	5%	0.049	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.5	174.5	69.2	0	0	0	0	111.2	M40 L57 T58	M40-S50 WeakPolarHBondContact O-CB 3.37Å; S50-L57 CarbonylContact O-C 3.52Å; S50-L57 WeakPolarHBondContact O-CA 3.48Å; S50-T58 PolarHBondContact N-O 3.44Å; S50-T58 PolarHBondContact O-N 2.84Å
51	L	93.6	Very high	93.4	Very high	88 Å²	88	62.2 Å²	62.2	46%	0.461	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.2	172.6	-177.4	64.8	0	0	0	107.7	L57 L70	L51-L57 HydrophobicContact CD1-CB 4.35Å; L51-L70 HydrophobicContact CD1-CD1 4.36Å
52	N	90.3	Very high	93.2	Very high	44 Å²	44	70.3 Å²	70.3	24%	0.235	38%	0.377	C	S	.	.			trans	-92.8	173	179.9	77.2	9	0	0	0	112.4	N54 H55 M56	N52-N54 PolarHBondContact O-N 3.37Å; N52-N54 VanDerWaalsContact O-N 3.11Å; N52-N54 WeakPolarHBondContact OD1-CA 3.45Å; N52-N54 WeakPolarHBondContact OD1-CB 3.29Å; N52-N54 PolarHBondContact OD1-N 3.37Å; N52-H55 PolarHBondContact O-N 2.82Å; N52-H55 PolarHBondContact OD1-N 2.95Å; N52-M56 PolarHBondContact N-O 3.33Å; N52-M56 VanDerWaalsContact N-O 3.17Å; N52-M56 WeakPolarHBondContact OD1-CB 3.4Å; N52-M56 PolarHBondContact OD1-N 3.19Å
53	S	89	Confident	93	Very high	109 Å²	109	74.5 Å²	74.5	76%	0.762	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.8	178.2	57	0	0	0	0	114.4	H55	S53-H55 VanDerWaalsContact C-N 3.27Å
54	N	90.3	Very high	93.1	Very high	109 Å²	109	73.8 Å²	73.8	58%	0.583	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	14	178.2	-59.1	-8.3	0	0	0	111.6	N52 M56	N52-N54 PolarHBondContact O-N 3.37Å; N52-N54 VanDerWaalsContact O-N 3.11Å; N52-N54 WeakPolarHBondContact OD1-CA 3.45Å; N52-N54 WeakPolarHBondContact OD1-CB 3.29Å; N52-N54 PolarHBondContact OD1-N 3.37Å; N54-M56 HydrophobicContact CB-CG 4.28Å; N54-M56 PolarHBondContact O-N 2.75Å
55	H	91.8	Very high	93.3	Very high	88 Å²	88	73.1 Å²	73.1	41%	0.407	39%	0.386	S	S	.	.			trans	59.8	24	-175.8	-48.7	91.6	0	0	0	113.8	N52 S53 L57 L70	N52-H55 PolarHBondContact O-N 2.82Å; N52-H55 PolarHBondContact OD1-N 2.95Å; S53-H55 VanDerWaalsContact C-N 3.27Å; H55-L57 PolarHBondContact O-N 3.35Å; H55-L70 HydrophobicContact CB-CB 4.5Å; H55-L70 WeakPolarHBondContact O-CA 3.48Å; H55-L70 WeakPolarHBondContact O-CB 3.34Å; H55-L70 PolarHBondContact O-N 3.3Å
56	M	94.6	Very high	93.6	Very high	49 Å²	49	67.7 Å²	67.7	24%	0.241	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.7	173.3	-56.6	-62.6	-57.1	0	0	109.3	N52 N54 T67 I68 S69	N52-M56 PolarHBondContact N-O 3.33Å; N52-M56 VanDerWaalsContact N-O 3.17Å; N52-M56 WeakPolarHBondContact OD1-CB 3.4Å; N52-M56 PolarHBondContact OD1-N 3.19Å; N54-M56 HydrophobicContact CB-CG 4.28Å; N54-M56 PolarHBondContact O-N 2.75Å; M56-T67 HydrophobicContact CB-CG2 4.19Å; M56-T67 HydrophobicContact CE-CG2 3.53Å; M56-I68 WeakPolarHBondContact CA-O 3.29Å; M56-S69 VanDerWaalsContact SD-CA 3.6Å; M56-S69 VanDerWaalsContact SD-CB 3.59Å
57	L	95.5	Very high	93.9	Very high	37 Å²	37	67 Å²	67	19%	0.194	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.5	169.6	178.4	71.9	0	0	0	108.3	I49 S50 L51 H55 M59 T67 I68 L70	I49-L57 HydrophobicContact CG2-CD1 3.67Å; S50-L57 CarbonylContact O-C 3.52Å; S50-L57 WeakPolarHBondContact O-CA 3.48Å; L51-L57 HydrophobicContact CD1-CB 4.35Å; H55-L57 PolarHBondContact O-N 3.35Å; L57-M59 HydrophobicContact CD2-CG 4.34Å; L57-M59 HydrophobicContact CD2-SD 4.35Å; L57-M59 HydrophobicContact CG-CG 4.3Å; L57-T67 CarbonylContact O-C 3.56Å; L57-T67 VanDerWaalsContact O-CA 3.29Å; L57-T67 WeakPolarHBondContact O-CA 3.38Å; L57-I68 HydrophobicContact CB-CG2 3.87Å; L57-I68 HydrophobicContact CD2-CG2 4.01Å; L57-I68 HydrophobicContact CG-CG2 4.36Å; L57-I68 PolarHBondContact N-O 2.87Å; L57-I68 PolarHBondContact O-N 3.23Å; L57-L70 HydrophobicContact CB-CD1 3.77Å; L57-L70 HydrophobicContact CB-CG 3.97Å; L57-L70 HydrophobicContact CD2-CD1 4.14Å; L57-L70 HydrophobicContact CG-CD1 4.41Å
58	T	96.2	Very high	94	Very high	32 Å²	32	67.4 Å²	67.4	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.1	172.8	-57.9	0	0	0	0	109.4	I49 S50 T65 T66	I49-T58 WeakPolarHBondContact CA-O 3.41Å; S50-T58 PolarHBondContact N-O 3.44Å; S50-T58 PolarHBondContact O-N 2.84Å; T58-T65 HydrophobicContact CG2-CG2 3.65Å; T58-T66 CarbonylContact C-O 3.48Å; T58-T66 WeakPolarHBondContact CA-O 3.07Å
59	M	96.2	Very high	93.9	Very high	71 Å²	71	66.5 Å²	66.5	35%	0.35	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.8	172.7	-62	-178	-63.6	0	0	108.4	V47 N48 L57 T66	V47-M59 HydrophobicContact CG1-CB 4.16Å; N48-M59 CarbonylContact O-C 3.59Å; N48-M59 WeakPolarHBondContact O-CA 3.3Å; L57-M59 HydrophobicContact CD2-CG 4.34Å; L57-M59 HydrophobicContact CD2-SD 4.35Å; L57-M59 HydrophobicContact CG-CG 4.3Å; M59-T66 HydrophobicContact CE-CG2 4.11Å; M59-T66 PolarHBondContact N-O 3.17Å; M59-T66 PolarHBondContact O-N 3.46Å
60	K	94.7	Very high	93.7	Very high	96 Å²	96	68.1 Å²	68.1	42%	0.417	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.5	-176.4	179.4	179.4	178.5	-175.9	0	110.1	V47 N48 T65	V47-K60 CarbonylContact C-O 3.55Å; V47-K60 WeakPolarHBondContact CA-O 3.22Å; N48-K60 HydrophobicContact CB-CB 4.44Å; N48-K60 PolarHBondContact N-O 2.92Å; N48-K60 PolarHBondContact O-N 3.34Å; K60-T65 HydrophobicContact CB-CG2 4.46Å
61	N	93.3	Very high	93.5	Very high	70 Å²	70	70.9 Å²	70.9	37%	0.374	37%	0.368	S	S	.	.			trans	-107.7	-170.8	166.9	71	27.9	0	0	0	110.1	V47 H63 C64	V47-N61 HydrophobicContact CG2-CB 4.28Å; N61-H63 PolarHBondContact O-N 2.79Å; N61-H63 WeakPolarHBondContact OD1-CA 3.44Å; N61-H63 PolarHBondContact OD1-N 2.86Å; N61-C64 PolarHBondContact N-O 2.81Å; N61-C64 PolarHBondContact OD1-N 2.93Å; N61-C64 PolarHBondContact OD1-O 3.08Å
62	R	90.3	Very high	93.4	Very high	203 Å²	203	70.9 Å²	70.9	77%	0.766	38%	0.375	S	S	*	.	S	Bend	trans	-62.2	-24.6	-179.4	-66.9	-175.3	-179.8	178.8	1	114.3	R92	R62-R92 PolarHBondContact O-NH1 3.03Å
63	H	92.2	Very high	93.6	Very high	125 Å²	125	72.6 Å²	72.6	58%	0.579	39%	0.389	S	S	*	.	S	Bend	trans	-110.1	-37.9	-170.1	-59.8	-63.9	0	0	0	112.8	N61 C91 R92	N61-H63 PolarHBondContact O-N 2.79Å; N61-H63 WeakPolarHBondContact OD1-CA 3.44Å; N61-H63 PolarHBondContact OD1-N 2.86Å; H63-C91 CarbonylContact O-C 3.57Å; H63-C91 WeakPolarHBondContact O-CA 3.46Å; H63-R92 PolarHBondContact O-N 2.53Å
64	C	94.4	Very high	93.8	Very high	28 Å²	28	70 Å²	70	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.2	-170.3	-57.1	0	0	0	0	111.4	N61 L90 C91	N61-C64 PolarHBondContact N-O 2.81Å; N61-C64 PolarHBondContact OD1-N 2.93Å; N61-C64 PolarHBondContact OD1-O 3.08Å; C64-L90 CarbonylContact C-O 3.6Å; C64-L90 VanDerWaalsContact CA-O 3.29Å; C64-L90 WeakPolarHBondContact CA-O 3.37Å; C64-C91 HydrophobicContact CB-CB 4.12Å; C64-C91 WeakPolarHBondContact CB-SG 3.39Å; C64-C91 WeakPolarHBondContact SG-CB 3.39Å; C64-C91 CovalentContact SG-SG 2.05Å; C64-C91 PolarHBondContact SG-SG 2.86Å
65	T	96.3	Very high	94.2	Very high	41 Å²	41	71 Å²	71	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.9	164.4	-56.1	0	0	0	0	107.4	T58 K60 V89 L90	T58-T65 HydrophobicContact CG2-CG2 3.65Å; K60-T65 HydrophobicContact CB-CG2 4.46Å; T65-V89 WeakPolarHBondContact O-CA 3.42Å; T65-L90 PolarHBondContact N-O 2.92Å; T65-L90 PolarHBondContact O-N 3.13Å
66	T	96.1	Very high	94.4	Very high	43 Å²	43	73.7 Å²	73.7	26%	0.264	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.7	172.1	-56.4	0	0	0	0	108.3	T58 M59 T88 V89	T58-T66 CarbonylContact C-O 3.48Å; T58-T66 WeakPolarHBondContact CA-O 3.07Å; M59-T66 HydrophobicContact CE-CG2 4.11Å; M59-T66 PolarHBondContact N-O 3.17Å; M59-T66 PolarHBondContact O-N 3.46Å; T66-T88 CarbonylContact C-O 3.56Å; T66-T88 WeakPolarHBondContact CA-O 3.07Å; T66-V89 HydrophobicContact CG2-CG2 4.1Å
67	T	96.4	Very high	94.5	Very high	29 Å²	29	73.2 Å²	73.2	18%	0.178	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127	177.8	-56.8	0	0	0	0	109	M56 L57 G87 T88	M56-T67 HydrophobicContact CB-CG2 4.19Å; M56-T67 HydrophobicContact CE-CG2 3.53Å; L57-T67 CarbonylContact O-C 3.56Å; L57-T67 VanDerWaalsContact O-CA 3.29Å; L57-T67 WeakPolarHBondContact O-CA 3.38Å; T67-G87 CarbonylContact O-C 3.56Å; T67-G87 WeakPolarHBondContact O-CA 3.32Å; T67-T88 PolarHBondContact N-O 3.39Å; T67-T88 PolarHBondContact O-N 3.25Å
68	I	95.9	Very high	94.5	Very high	56 Å²	56	76.8 Å²	76.8	29%	0.287	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.3	179.1	-174.1	169.3	0	0	0	110.5	M56 L57 L70 R85	M56-I68 WeakPolarHBondContact CA-O 3.29Å; L57-I68 HydrophobicContact CB-CG2 3.87Å; L57-I68 HydrophobicContact CD2-CG2 4.01Å; L57-I68 HydrophobicContact CG-CG2 4.36Å; L57-I68 PolarHBondContact N-O 2.87Å; L57-I68 PolarHBondContact O-N 3.23Å; I68-L70 HydrophobicContact CG2-CD2 4.38Å; I68-R85 HydrophobicContact CD1-CB 4.22Å; I68-R85 HydrophobicContact CG1-CB 4.07Å
69	S	93.6	Very high	94.6	Very high	20 Å²	20	79.1 Å²	79.1	14%	0.14	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.3	172.6	-178	0	0	0	0	111.2	M56 T71 R85 E86	M56-S69 VanDerWaalsContact SD-CA 3.6Å; M56-S69 VanDerWaalsContact SD-CB 3.59Å; S69-T71 PolarHBondContact OG-N 2.84Å; S69-T71 PolarHBondContact OG-OG1 2.9Å; S69-R85 VanDerWaalsContact O-CD 3.22Å; S69-R85 WeakPolarHBondContact O-CD 3.36Å; S69-R85 VanDerWaalsContact O-CG 3.27Å; S69-R85 WeakPolarHBondContact O-CG 3.49Å; S69-E86 PolarHBondContact N-O 3Å
70	L	91.5	Very high	94.6	Very high	85 Å²	85	79.2 Å²	79.2	45%	0.445	44%	0.436	S	S	.	.			trans	-105.8	29.5	169.3	-58	-174.7	0	0	0	111.2	L51 H55 L57 I68	L51-L70 HydrophobicContact CD1-CD1 4.36Å; H55-L70 HydrophobicContact CB-CB 4.5Å; H55-L70 WeakPolarHBondContact O-CA 3.48Å; H55-L70 WeakPolarHBondContact O-CB 3.34Å; H55-L70 PolarHBondContact O-N 3.3Å; L57-L70 HydrophobicContact CB-CD1 3.77Å; L57-L70 HydrophobicContact CB-CG 3.97Å; L57-L70 HydrophobicContact CD2-CD1 4.14Å; L57-L70 HydrophobicContact CG-CD1 4.41Å; I68-L70 HydrophobicContact CG2-CD2 4.38Å
71	T	91.7	Very high	94.6	Very high	65 Å²	65	83.5 Å²	83.5	40%	0.399	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-53.6	145.6	173.3	-59.4	0	0	0	0	109.7	S69 R85	S69-T71 PolarHBondContact OG-N 2.84Å; S69-T71 PolarHBondContact OG-OG1 2.9Å; T71-R85 PolarHBondContact O-NE 2.88Å; T71-R85 PolarHBondContact O-NH2 2.85Å
72	S	91.8	Very high	94.5	Very high	88 Å²	88	84.7 Å²	84.7	62%	0.615	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-53.4	140.4	178.7	-60.1	0	0	0	0	112	R85	S72-R85 PolarHBondContact O-NH2 3.22Å
73	P	93.9	Very high	94.6	Very high	81 Å²	81	77 Å²	77	53%	0.526	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-57.5	145.1	175.7	-25.7	35.5	0	0	0	113.4	E77 I78	P73-E77 VanDerWaalsContact CA-OE2 3.3Å; P73-E77 WeakPolarHBondContact CA-OE2 3.47Å; P73-E77 HydrophobicContact CB-CB 4.24Å; P73-I78 HydrophobicContact CB-CD1 4.22Å; P73-I78 HydrophobicContact CB-CG1 3.78Å
74	S	93.9	Very high	94.7	Very high	55 Å²	55	81.3 Å²	81.3	39%	0.385	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-74.1	164.6	169.5	77.9	0	0	0	0	111.6	E76 E77 I78	S74-E76 PolarHBondContact O-N 2.95Å; S74-E76 PolarHBondContact OG-N 2.92Å; S74-E77 PolarHBondContact N-OE2 2.94Å; S74-E77 PolarHBondContact O-N 2.81Å; S74-E77 WeakPolarHBondContact OG-CG 3.44Å; S74-E77 PolarHBondContact OG-N 2.84Å; S74-E77 VanDerWaalsContact OG-N 3.16Å; S74-I78 VanDerWaalsContact O-CG1 3.3Å; S74-I78 WeakPolarHBondContact O-CG1 3.33Å; S74-I78 PolarHBondContact O-N 2.9Å
75	V	97	Very high	94.6	Very high	128 Å²	128	84 Å²	84	78%	0.776	47%	0.47	S	S	*	.	H	α-helix	trans	-58.3	-37.3	175.9	179	0	0	0	0	111.5	A79	V75-A79 VanDerWaalsContact O-CB 3.32Å; V75-A79 WeakPolarHBondContact O-CB 3.47Å; V75-A79 PolarHBondContact O-N 2.76Å
76	E	96.5	Very high	94.3	Very high	145 Å²	145	90 Å²	90	68%	0.678	50%	0.495	S	S	*	.	H	α-helix	trans	-69.7	-41.8	177.5	-175.1	176.1	-173.3	0	0	112.1	S74 I78 A79 T80	S74-E76 PolarHBondContact O-N 2.95Å; S74-E76 PolarHBondContact OG-N 2.92Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 2.05Å; E76-A79 PolarHBondContact O-N 2.78Å; E76-T80 HydrophobicContact CG-CG2 4.42Å; E76-T80 WeakPolarHBondContact O-CB 3.41Å; E76-T80 WeakPolarHBondContact O-CG2 3.39Å; E76-T80 PolarHBondContact O-N 2.84Å; E76-T80 PolarHBondContact O-OG1 3.09Å
77	E	97.1	Very high	94.2	Very high	39 Å²	39	90.1 Å²	90.1	18%	0.182	51%	0.505	C	S	.	.	H	α-helix	trans	-62.2	-40.3	175.6	-70.2	176.8	133.4	0	0	111.1	P73 S74 T80 Q81 T82 R85	P73-E77 VanDerWaalsContact CA-OE2 3.3Å; P73-E77 WeakPolarHBondContact CA-OE2 3.47Å; P73-E77 HydrophobicContact CB-CB 4.24Å; S74-E77 PolarHBondContact N-OE2 2.94Å; S74-E77 PolarHBondContact O-N 2.81Å; S74-E77 WeakPolarHBondContact OG-CG 3.44Å; S74-E77 PolarHBondContact OG-N 2.84Å; S74-E77 VanDerWaalsContact OG-N 3.16Å; E77-T80 PolarHBondContact O-OG1 3.44Å; E77-Q81 VanDerWaalsContact O-CA 3.32Å; E77-Q81 WeakPolarHBondContact O-CA 3.45Å; E77-Q81 PolarHBondContact O-N 2.93Å; E77-T82 VanDerWaalsContact CA-O 3.23Å; E77-T82 WeakPolarHBondContact CA-O 3.29Å; E77-T82 WeakPolarHBondContact CB-O 3.41Å; E77-T82 PolarHBondContact O-N 2.81Å; E77-R85 IonicContact OE1-CZ 3.72Å; E77-R85 IonicContact OE1-NH1 2.83Å; E77-R85 PolarHBondContact OE1-NH1 3.34Å; E77-R85 IonicContact OE2-CZ 3.67Å; E77-R85 IonicContact OE2-NH1 3.13Å; E77-R85 PolarHBondContact OE2-NH1 2.82Å; E77-R85 VanDerWaalsContact OE2-NH1 3.13Å; E77-R85 IonicContact OE2-NH2 3.29Å; E77-R85 PolarHBondContact OE2-NH2 3.11Å
78	I	96.4	Very high	94.2	Very high	112 Å²	112	92.6 Å²	92.6	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-45.6	175.7	-65.8	165.9	0	0	0	110.7	P73 S74 E76 T80 Q81	P73-I78 HydrophobicContact CB-CD1 4.22Å; P73-I78 HydrophobicContact CB-CG1 3.78Å; S74-I78 VanDerWaalsContact O-CG1 3.3Å; S74-I78 WeakPolarHBondContact O-CG1 3.33Å; S74-I78 PolarHBondContact O-N 2.9Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 2.05Å; I78-T80 VanDerWaalsContact C-N 3.34Å; I78-T80 PolarHBondContact O-N 3.49Å; I78-Q81 PolarHBondContact O-N 2.99Å
79	A	96.9	Very high	94.2	Very high	82 Å²	82	94.4 Å²	94.4	68%	0.678	53%	0.534	S	S	*	.	H	α-helix	trans	-65.8	-36.7	-178.2	0	0	0	0	0	112.6	V75 E76	V75-A79 VanDerWaalsContact O-CB 3.32Å; V75-A79 WeakPolarHBondContact O-CB 3.47Å; V75-A79 PolarHBondContact O-N 2.76Å; E76-A79 PolarHBondContact O-N 2.78Å
80	T	97.1	Very high	94.2	Very high	73 Å²	73	99.5 Å²	99.5	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-88.3	-14.8	179.6	60.1	0	0	0	0	113.3	E76 E77 I78 T82	E76-T80 HydrophobicContact CG-CG2 4.42Å; E76-T80 WeakPolarHBondContact O-CB 3.41Å; E76-T80 WeakPolarHBondContact O-CG2 3.39Å; E76-T80 PolarHBondContact O-N 2.84Å; E76-T80 PolarHBondContact O-OG1 3.09Å; E77-T80 PolarHBondContact O-OG1 3.44Å; I78-T80 VanDerWaalsContact C-N 3.34Å; I78-T80 PolarHBondContact O-N 3.49Å; T80-T82 WeakPolarHBondContact CB-OG1 3.45Å; T80-T82 PolarHBondContact O-N 2.78Å; T80-T82 PolarHBondContact OG1-N 2.79Å; T80-T82 PolarHBondContact OG1-O 2.84Å; T80-T82 PolarHBondContact OG1-OG1 2.87Å
81	Q	94.1	Very high	94.3	Very high	185 Å²	185	99 Å²	99	86%	0.864	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.7	28.5	-168.9	-56.5	-170.6	-25.3	0	0	113.1	E77 I78	E77-Q81 VanDerWaalsContact O-CA 3.32Å; E77-Q81 WeakPolarHBondContact O-CA 3.45Å; E77-Q81 PolarHBondContact O-N 2.93Å; I78-Q81 PolarHBondContact O-N 2.99Å
82	T	92.3	Very high	94.2	Very high	96 Å²	96	104.1 Å²	104.1	59%	0.589	57%	0.573	S	S	*	*			trans	-137.9	156.4	179.6	66.5	0	0	0	0	110.2	E77 T80	E77-T82 VanDerWaalsContact CA-O 3.23Å; E77-T82 WeakPolarHBondContact CA-O 3.29Å; E77-T82 WeakPolarHBondContact CB-O 3.41Å; E77-T82 PolarHBondContact O-N 2.81Å; T80-T82 WeakPolarHBondContact CB-OG1 3.45Å; T80-T82 PolarHBondContact O-N 2.78Å; T80-T82 PolarHBondContact OG1-N 2.79Å; T80-T82 PolarHBondContact OG1-O 2.84Å; T80-T82 PolarHBondContact OG1-OG1 2.87Å
83	G	92.6	Very high	93.7	Very high	42 Å²	42	105.2 Å²	105.2	43%	0.433	58%	0.578	S	S	.	*			trans	175.9	169.8	179.1	0	0	0	0	0	111.5
84	Y	92.5	Very high	92.8	Very high	215 Å²	215	113 Å²	113	84%	0.843	60%	0.597	S	S	*	*			trans	-131.4	147.8	178.4	-63.9	-85.7	0	0	0	109.8
85	R	92.5	Very high	91.5	Very high	85 Å²	85	116.9 Å²	116.9	32%	0.321	61%	0.612	S	S	.	*			trans	-123.4	131.6	174.2	-67.2	-63.9	-174.4	-121.4	2.2	109	I68 S69 T71 S72 E77	I68-R85 HydrophobicContact CD1-CB 4.22Å; I68-R85 HydrophobicContact CG1-CB 4.07Å; S69-R85 VanDerWaalsContact O-CD 3.22Å; S69-R85 WeakPolarHBondContact O-CD 3.36Å; S69-R85 VanDerWaalsContact O-CG 3.27Å; S69-R85 WeakPolarHBondContact O-CG 3.49Å; T71-R85 PolarHBondContact O-NE 2.88Å; T71-R85 PolarHBondContact O-NH2 2.85Å; S72-R85 PolarHBondContact O-NH2 3.22Å; E77-R85 IonicContact OE1-CZ 3.72Å; E77-R85 IonicContact OE1-NH1 2.83Å; E77-R85 PolarHBondContact OE1-NH1 3.34Å; E77-R85 IonicContact OE2-CZ 3.67Å; E77-R85 IonicContact OE2-NH1 3.13Å; E77-R85 PolarHBondContact OE2-NH1 2.82Å; E77-R85 VanDerWaalsContact OE2-NH1 3.13Å; E77-R85 IonicContact OE2-NH2 3.29Å; E77-R85 PolarHBondContact OE2-NH2 3.11Å
86	E	90.9	Very high	89.7	Confident	166 Å²	166	115.7 Å²	115.7	78%	0.776	61%	0.61	S	S	*	*			trans	-65.4	138.2	170.4	-70.3	-62.8	146.1	0	0	109.7	S69	S69-E86 PolarHBondContact N-O 3Å
87	G	93.3	Very high	87.7	Confident	45 Å²	45	119.1 Å²	119.1	46%	0.464	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-145.2	150.5	179.1	0	0	0	0	0	111	T67	T67-G87 CarbonylContact O-C 3.56Å; T67-G87 WeakPolarHBondContact O-CA 3.32Å
88	T	96.2	Very high	85.6	Confident	81 Å²	81	128.6 Å²	128.6	50%	0.497	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.7	145	175.5	58.2	0	0	0	0	110	T66 T67	T66-T88 CarbonylContact C-O 3.56Å; T66-T88 WeakPolarHBondContact CA-O 3.07Å; T67-T88 PolarHBondContact N-O 3.39Å; T67-T88 PolarHBondContact O-N 3.25Å
89	V	95.7	Very high	84	Confident	95 Å²	95	132.1 Å²	132.1	58%	0.576	69%	0.687	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.9	118.3	173.7	-179	0	0	0	0	107.6	T65 T66	T65-V89 WeakPolarHBondContact O-CA 3.42Å; T66-V89 HydrophobicContact CG2-CG2 4.1Å
90	L	94.8	Very high	83.4	Confident	126 Å²	126	134.7 Å²	134.7	66%	0.66	69%	0.687	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.6	106	176.5	-65.5	176.4	0	0	0	108.6	C64 T65	C64-L90 CarbonylContact C-O 3.6Å; C64-L90 VanDerWaalsContact CA-O 3.29Å; C64-L90 WeakPolarHBondContact CA-O 3.37Å; T65-L90 PolarHBondContact N-O 2.92Å; T65-L90 PolarHBondContact O-N 3.13Å
91	C	94.1	Very high	82.6	Confident	74 Å²	74	137.9 Å²	137.9	50%	0.5	70%	0.7	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	138.8	178.4	-66.8	0	0	0	0	111.5	H63 C64	H63-C91 CarbonylContact O-C 3.57Å; H63-C91 WeakPolarHBondContact O-CA 3.46Å; C64-C91 HydrophobicContact CB-CB 4.12Å; C64-C91 WeakPolarHBondContact CB-SG 3.39Å; C64-C91 WeakPolarHBondContact SG-CB 3.39Å; C64-C91 CovalentContact SG-SG 2.05Å; C64-C91 PolarHBondContact SG-SG 2.86Å
92	R	88.6	Confident	82	Confident	174 Å²	174	135.3 Å²	135.3	66%	0.657	69%	0.69	S	S	*	*			trans	-65.5	136.6	166.6	-66.1	179.3	-179.7	167.9	-5.8	108.8	R62 H63 R94	R62-R92 PolarHBondContact O-NH1 3.03Å; H63-R92 PolarHBondContact O-N 2.53Å; R92-R94 PolarHBondContact O-N 3.47Å
93	P	82.4	Confident	81.4	Confident	110 Å²	110	137.6 Å²	137.6	71%	0.714	70%	0.696	S	S	*	*			trans	-59.6	140.6	171.3	23.8	-30.6	0	0	0	109.6	I95	P93-I95 PolarHBondContact O-N 2.84Å
94	R	74.3	Confident	80.7	Confident	244 Å²	244	143.6 Å²	143.6	92%	0.921	71%	0.713	S	S	*	*			trans	-64.7	106.8	167.8	-70.4	-172.7	-178.4	-176.7	1.2	106.7	R92 S96	R92-R94 PolarHBondContact O-N 3.47Å; R94-S96 VanDerWaalsContact C-N 3.28Å; R94-S96 PolarHBondContact O-N 3.48Å
95	I	66.5	Low	79.9	Confident	138 Å²	138	138.8 Å²	138.8	71%	0.708	70%	0.704	S	S	*	*			trans	-66.9	97.8	166.6	-57.2	175	0	0	0	105.2	P93 Y97	P93-I95 PolarHBondContact O-N 2.84Å; I95-Y97 PolarHBondContact O-N 2.82Å; I95-Y97 VanDerWaalsContact O-N 3.13Å
96	S	58.7	Low	79	Confident	103 Å²	103	142.6 Å²	142.6	72%	0.72	73%	0.732	S	S	*	*			trans	-68.7	105.3	164.9	58.3	0	0	0	0	106.3	R94 R98	R94-S96 VanDerWaalsContact C-N 3.28Å; R94-S96 PolarHBondContact O-N 3.48Å; S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 3.02Å
97	Y	54.7	Low	78.1	Confident	217 Å²	217	140.8 Å²	140.8	85%	0.851	73%	0.728	S	S	*	*			trans	-59.4	104	160.3	-86.1	-90.9	0	0	0	106.7	I95 S99	I95-Y97 PolarHBondContact O-N 2.82Å; I95-Y97 VanDerWaalsContact O-N 3.13Å; Y97-S99 PolarHBondContact O-N 3.29Å
98	R	53.2	Low	76.8	Confident	238 Å²	238	148.8 Å²	148.8	90%	0.898	75%	0.75	S	S	*	*			trans	-76.2	112.8	159.9	-157.2	175	-168.2	179.2	2.4	104.5	S96	S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 3.02Å
99	S	63.1	Low	75.1	Confident	186 Å²	186	155 Å²	155	100%	1.301	77%	0.773	S	S	*	*			trans	-49.2	0	178.3	-38.4	0	0	0	0	112	Y97	Y97-S99 PolarHBondContact O-N 3.29Å

Retrieved 99 of 99 residues in 91.6 ms (Link to these results)

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