A0A078BPK1_CAEEL Loading...

DUF4440 domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BPK1, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 118 aa.

						>A0A078BPK1_CAEEL|A0A078BPK1
MSNEAEALLKLQFDKYAKFIDDEVWAEVEGYYHPSGVLVHKGKEAVYGNKDKSTYIAKFAEGTGKSVGTTTNAKYEGSGDYLIITADFSSETEKAGTVKGRLLHWGNFIHGGTVLSVQ
					

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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	60.3	Low	80.2	Confident	168 Å²	168	86.9 Å²	86.9	83%	0.828	46%	0.464	S	S	*	.				0	-48.1	0	-64.9	-159	-63.6	0	0	112.7	N3 E4 A5	M1-N3 PolarHBondContact O-N 3.29Å; M1-E4 PolarHBondContact O-N 3.13Å; M1-A5 WeakPolarHBondContact O-CB 3.47Å; M1-A5 PolarHBondContact O-N 3.48Å; M1-A5 VanDerWaalsContact O-N 3.13Å
2	S	68.8	Low	80.5	Confident	65 Å²	65	87.9 Å²	87.9	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-58.1	-43	178.7	57	0	0	0	0	114.1	E4 A5 E6	S2-E4 PolarHBondContact O-N 3.17Å; S2-A5 WeakPolarHBondContact O-CB 3.23Å; S2-A5 PolarHBondContact O-N 3.01Å; S2-E6 WeakPolarHBondContact O-CB 3.49Å; S2-E6 PolarHBondContact O-N 2.88Å
3	N	77.2	Confident	81	Confident	126 Å²	126	82.4 Å²	82.4	67%	0.674	43%	0.433	S	S	*	.	H	α-helix	trans	-67.7	-37.1	-176.4	-68.3	8.9	0	0	0	113.5	M1 A7	M1-N3 PolarHBondContact O-N 3.29Å; N3-A7 WeakPolarHBondContact O-CB 3.43Å; N3-A7 PolarHBondContact O-N 3.21Å
4	E	81.9	Confident	81.6	Confident	137 Å²	137	81.2 Å²	81.2	64%	0.64	43%	0.428	S	S	*	.	H	α-helix	trans	-69.8	-41.7	173.9	-82.8	172.7	151.4	0	0	111.4	M1 S2 E6 A7 L8	M1-E4 PolarHBondContact O-N 3.13Å; S2-E4 PolarHBondContact O-N 3.17Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.18Å; E4-A7 PolarHBondContact O-N 2.85Å; E4-L8 WeakPolarHBondContact O-CB 3.3Å; E4-L8 WeakPolarHBondContact O-CG 3.44Å; E4-L8 PolarHBondContact O-N 3.31Å
5	A	83.2	Confident	82.1	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.008	43%	0.431	C	S	.	.	H	α-helix	trans	-57.5	-45.9	175.2	0	0	0	0	0	111.1	M1 S2 L9 L82	M1-A5 WeakPolarHBondContact O-CB 3.47Å; M1-A5 PolarHBondContact O-N 3.48Å; M1-A5 VanDerWaalsContact O-N 3.13Å; S2-A5 WeakPolarHBondContact O-CB 3.23Å; S2-A5 PolarHBondContact O-N 3.01Å; A5-L9 VanDerWaalsContact O-CB 3.23Å; A5-L9 WeakPolarHBondContact O-CB 3.07Å; A5-L9 PolarHBondContact O-N 2.78Å; A5-L82 HydrophobicContact CB-CD2 3.48Å; A5-L82 VanDerWaalsContact CB-CD2 3.48Å
6	E	88	Confident	82.6	Confident	87 Å²	87	78.6 Å²	78.6	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-61.5	-51.9	175.8	-178.6	167.3	175.4	0	0	111.9	S2 E4 L8 L9 K10 Y75	S2-E6 WeakPolarHBondContact O-CB 3.49Å; S2-E6 PolarHBondContact O-N 2.88Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.18Å; E6-L8 PolarHBondContact O-N 2.83Å; E6-L9 PolarHBondContact O-N 2.94Å; E6-K10 HydrophobicContact CG-CB 4.5Å; E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 PolarHBondContact O-N 3.09Å; E6-Y75 HydrophobicContact CB-CD1 4.48Å; E6-Y75 HydrophobicContact CB-CD2 3.83Å; E6-Y75 HydrophobicContact CB-CG 3.78Å; E6-Y75 HydrophobicContact CG-CD2 3.5Å; E6-Y75 HydrophobicContact CG-CE2 3.81Å; E6-Y75 HydrophobicContact CG-CG 3.92Å
7	A	86.1	Confident	83	Confident	70 Å²	70	75.5 Å²	75.5	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-57.7	-38.5	-177.7	0	0	0	0	0	112.6	N3 E4	N3-A7 WeakPolarHBondContact O-CB 3.43Å; N3-A7 PolarHBondContact O-N 3.21Å; E4-A7 PolarHBondContact O-N 2.85Å
8	L	80.7	Confident	83.6	Confident	84 Å²	84	77.1 Å²	77.1	44%	0.44	40%	0.399	S	S	.	.	H	α-helix	trans	-79.9	-49.5	-179.3	-69	168.5	0	0	0	112.7	E4 E6 Q12 L82 F108	E4-L8 WeakPolarHBondContact O-CB 3.3Å; E4-L8 WeakPolarHBondContact O-CG 3.44Å; E4-L8 PolarHBondContact O-N 3.31Å; E6-L8 PolarHBondContact O-N 2.83Å; L8-Q12 WeakPolarHBondContact O-CG 3.33Å; L8-L82 HydrophobicContact CB-CD1 4.36Å; L8-F108 HydrophobicContact CD1-CE1 3.51Å; L8-F108 HydrophobicContact CD1-CZ 3.35Å
9	L	83.8	Confident	84.1	Confident	18 Å²	18	74.9 Å²	74.9	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-70.5	-41	-177.4	-79.9	179.1	0	0	0	112.1	A5 E6 L11 Q12 F13 Y75 L82 I84	A5-L9 VanDerWaalsContact O-CB 3.23Å; A5-L9 WeakPolarHBondContact O-CB 3.07Å; A5-L9 PolarHBondContact O-N 2.78Å; E6-L9 PolarHBondContact O-N 2.94Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 2.75Å; L9-Q12 PolarHBondContact O-N 2.87Å; L9-F13 WeakPolarHBondContact O-CB 3.4Å; L9-F13 PolarHBondContact O-N 2.82Å; L9-Y75 HydrophobicContact CB-CD1 3.74Å; L9-Y75 HydrophobicContact CB-CE1 3.99Å; L9-Y75 HydrophobicContact CD1-CD1 4.02Å; L9-L82 HydrophobicContact CD1-CB 3.61Å; L9-L82 HydrophobicContact CD2-CB 3.74Å; L9-L82 HydrophobicContact CD2-CD1 4.14Å; L9-L82 HydrophobicContact CG-CB 3.68Å; L9-L82 HydrophobicContact CG-CD1 3.98Å; L9-L82 HydrophobicContact CG-CG 4.36Å; L9-I84 HydrophobicContact CD1-CB 4.22Å
10	K	86.7	Confident	84.6	Confident	77 Å²	77	72.8 Å²	72.8	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-45.5	-173.8	-179.5	161.9	175.9	37	0	111.3	E6 Q12 F13 D14 Y75	E6-K10 HydrophobicContact CG-CB 4.5Å; E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 PolarHBondContact O-N 3.09Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-Q12 PolarHBondContact O-N 2.82Å; K10-F13 PolarHBondContact O-N 3.5Å; K10-D14 WeakPolarHBondContact CG-OD2 3.45Å; K10-D14 VanDerWaalsContact NZ-CG 3.31Å; K10-D14 IonicContact NZ-OD1 2.9Å; K10-D14 PolarHBondContact NZ-OD1 2.83Å; K10-D14 IonicContact NZ-OD2 3.52Å; K10-D14 PolarHBondContact NZ-OD2 2.86Å; K10-D14 WeakPolarHBondContact O-CB 3.46Å; K10-D14 PolarHBondContact O-N 2.87Å; K10-Y75 HydrophobicContact CB-CE1 3.95Å
11	L	85.3	Confident	85	Confident	123 Å²	123	70.3 Å²	70.3	64%	0.644	36%	0.362	S	S	*	.	H	α-helix	trans	-61.3	-43.8	178.2	-177.6	67.2	0	0	0	111.9	L9 K15	L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 2.75Å; L11-K15 WeakPolarHBondContact O-CB 3.38Å; L11-K15 PolarHBondContact O-N 2.98Å
12	Q	84.3	Confident	86.8	Confident	99 Å²	99	65.8 Å²	65.8	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-43	179.1	-69.5	-62.8	-20.2	0	0	111.8	L8 L9 K10 K15 Y16 Y31	L8-Q12 WeakPolarHBondContact O-CG 3.33Å; L9-Q12 PolarHBondContact O-N 2.87Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-Q12 PolarHBondContact O-N 2.82Å; Q12-K15 PolarHBondContact O-N 2.83Å; Q12-Y16 WeakPolarHBondContact O-CB 3.07Å; Q12-Y16 PolarHBondContact O-N 3.47Å; Q12-Y31 HydrophobicContact CB-CE1 4.27Å; Q12-Y31 VanDerWaalsContact O-CE1 3.26Å; Q12-Y31 WeakPolarHBondContact O-CE1 3.23Å; Q12-Y31 PolarHBondContact OE1-OH 2.75Å
13	F	86.4	Confident	88.1	Confident	16 Å²	16	66.3 Å²	66.3	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-44	-179.5	-177.2	-91.2	0	0	0	111.7	L9 K10 K15 Y16 A17 T70 I84 L102	L9-F13 WeakPolarHBondContact O-CB 3.4Å; L9-F13 PolarHBondContact O-N 2.82Å; K10-F13 PolarHBondContact O-N 3.5Å; F13-K15 VanDerWaalsContact C-N 3.29Å; F13-K15 PolarHBondContact O-N 2.9Å; F13-Y16 HydrophobicContact CE2-CD1 4.45Å; F13-Y16 WeakPolarHBondContact O-CB 3.46Å; F13-Y16 PolarHBondContact O-N 2.7Å; F13-A17 WeakPolarHBondContact O-CB 3.38Å; F13-A17 PolarHBondContact O-N 3.43Å; F13-T70 HydrophobicContact CE1-CG2 3.49Å; F13-T70 VanDerWaalsContact CE1-CG2 3.49Å; F13-T70 HydrophobicContact CZ-CG2 3.78Å; F13-I84 HydrophobicContact CD1-CD1 4.05Å; F13-I84 HydrophobicContact CD2-CD1 4.18Å; F13-I84 HydrophobicContact CD2-CG2 4.36Å; F13-I84 HydrophobicContact CE1-CD1 4.4Å; F13-I84 HydrophobicContact CG-CD1 3.95Å; F13-L102 HydrophobicContact CE2-CD1 4Å; F13-L102 HydrophobicContact CE2-CD2 4.02Å; F13-L102 HydrophobicContact CZ-CD1 4.22Å; F13-L102 HydrophobicContact CZ-CD2 3.55Å
14	D	89.1	Confident	89	Confident	66 Å²	66	63 Å²	63	35%	0.353	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176.8	-70	-13.9	0	0	0	110.8	K10 A17 K18	K10-D14 WeakPolarHBondContact CG-OD2 3.45Å; K10-D14 VanDerWaalsContact NZ-CG 3.31Å; K10-D14 IonicContact NZ-OD1 2.9Å; K10-D14 PolarHBondContact NZ-OD1 2.83Å; K10-D14 IonicContact NZ-OD2 3.52Å; K10-D14 PolarHBondContact NZ-OD2 2.86Å; K10-D14 WeakPolarHBondContact O-CB 3.46Å; K10-D14 PolarHBondContact O-N 2.87Å; D14-A17 PolarHBondContact O-N 3.16Å; D14-K18 WeakPolarHBondContact O-CB 3.37Å; D14-K18 PolarHBondContact O-N 3.49Å
15	K	89.9	Confident	89.5	Confident	111 Å²	111	59.7 Å²	59.7	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-67.1	-42.7	176.1	-173.8	172.1	173.7	-171	0	112.2	L11 Q12 F13 K18 F19 Y31	L11-K15 WeakPolarHBondContact O-CB 3.38Å; L11-K15 PolarHBondContact O-N 2.98Å; Q12-K15 PolarHBondContact O-N 2.83Å; F13-K15 VanDerWaalsContact C-N 3.29Å; F13-K15 PolarHBondContact O-N 2.9Å; K15-K18 PolarHBondContact O-N 3.44Å; K15-F19 HydrophobicContact CD-CE2 4.21Å; K15-F19 HydrophobicContact CG-CD2 4.22Å; K15-F19 HydrophobicContact CG-CE2 3.7Å; K15-F19 HydrophobicContact CG-CZ 4.18Å; K15-F19 VanDerWaalsContact O-CD2 3.28Å; K15-F19 WeakPolarHBondContact O-CD2 3.24Å; K15-F19 PolarHBondContact O-N 3.28Å; K15-Y31 WeakPolarHBondContact CD-OH 3.21Å; K15-Y31 WeakPolarHBondContact CG-OH 3.42Å
16	Y	89.5	Confident	90	Very high	9 Å²	9	63.3 Å²	63.3	4%	0.035	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-48.2	172.8	167.1	-100.9	0	0	0	112.2	Q12 F13 K18 F19 I20 V28 Y31 Y32	Q12-Y16 WeakPolarHBondContact O-CB 3.07Å; Q12-Y16 PolarHBondContact O-N 3.47Å; F13-Y16 HydrophobicContact CE2-CD1 4.45Å; F13-Y16 WeakPolarHBondContact O-CB 3.46Å; F13-Y16 PolarHBondContact O-N 2.7Å; Y16-K18 VanDerWaalsContact C-N 3.29Å; Y16-K18 PolarHBondContact O-N 3.11Å; Y16-F19 PolarHBondContact O-N 3.32Å; Y16-F19 VanDerWaalsContact O-N 3.16Å; Y16-I20 HydrophobicContact CD1-CD1 4.17Å; Y16-I20 HydrophobicContact CE1-CD1 3.48Å; Y16-I20 VanDerWaalsContact CE1-CD1 3.48Å; Y16-I20 HydrophobicContact CE2-CD1 4.11Å; Y16-I20 VanDerWaalsContact CZ-CD1 3.45Å; Y16-I20 PolarHBondContact O-N 3.25Å; Y16-I20 VanDerWaalsContact O-N 3.17Å; Y16-V28 HydrophobicContact CE2-CG1 3.88Å; Y16-Y31 HydrophobicContact CD2-CD1 4.07Å; Y16-Y31 HydrophobicContact CD2-CD2 4.36Å; Y16-Y31 AromaticContact CD2-CG 3.76Å; Y16-Y31 HydrophobicContact CD2-CG 3.76Å; Y16-Y31 HydrophobicContact CG-CD1 4.26Å; Y16-Y31 HydrophobicContact CG-CG 4.36Å; Y16-Y32 HydrophobicContact CE2-CE1 4.29Å; Y16-Y32 PolarHBondContact OH-OH 3.14Å
17	A	90.3	Very high	90.2	Very high	27 Å²	27	63.7 Å²	63.7	22%	0.223	34%	0.335	C	S	.	.	H	α-helix	trans	-59.9	-41.6	177.9	0	0	0	0	0	111.1	F13 D14 F19 I20 D21	F13-A17 WeakPolarHBondContact O-CB 3.38Å; F13-A17 PolarHBondContact O-N 3.43Å; D14-A17 PolarHBondContact O-N 3.16Å; A17-F19 VanDerWaalsContact C-N 3.33Å; A17-F19 PolarHBondContact O-N 3.29Å; A17-I20 WeakPolarHBondContact O-CB 3.24Å; A17-I20 PolarHBondContact O-N 3.03Å; A17-I20 VanDerWaalsContact O-N 3.11Å; A17-D21 PolarHBondContact O-N 3.44Å
18	K	93.5	Very high	90.4	Very high	103 Å²	103	60.4 Å²	60.4	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-37.9	176.3	-167.8	65.1	172.5	73.7	0	112.9	D14 K15 Y16 I20 D21 D22	D14-K18 WeakPolarHBondContact O-CB 3.37Å; D14-K18 PolarHBondContact O-N 3.49Å; K15-K18 PolarHBondContact O-N 3.44Å; Y16-K18 VanDerWaalsContact C-N 3.29Å; Y16-K18 PolarHBondContact O-N 3.11Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 2.83Å; K18-D21 PolarHBondContact O-N 3.23Å; K18-D22 IonicContact NZ-OD1 2.68Å; K18-D22 PolarHBondContact NZ-OD1 3.16Å; K18-D22 IonicContact NZ-OD2 2.63Å; K18-D22 PolarHBondContact NZ-OD2 3Å; K18-D22 WeakPolarHBondContact O-CB 3.02Å; K18-D22 PolarHBondContact O-N 3.27Å
19	F	93.2	Very high	90.9	Very high	36 Å²	36	59.6 Å²	59.6	16%	0.158	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-30.8	174.9	-71.1	-45.6	0	0	0	113.2	K15 Y16 A17 E23 V24 E27 V28 Y31	K15-F19 HydrophobicContact CD-CE2 4.21Å; K15-F19 HydrophobicContact CG-CD2 4.22Å; K15-F19 HydrophobicContact CG-CE2 3.7Å; K15-F19 HydrophobicContact CG-CZ 4.18Å; K15-F19 VanDerWaalsContact O-CD2 3.28Å; K15-F19 WeakPolarHBondContact O-CD2 3.24Å; K15-F19 PolarHBondContact O-N 3.28Å; Y16-F19 PolarHBondContact O-N 3.32Å; Y16-F19 VanDerWaalsContact O-N 3.16Å; A17-F19 VanDerWaalsContact C-N 3.33Å; A17-F19 PolarHBondContact O-N 3.29Å; F19-E23 PolarHBondContact O-N 3.29Å; F19-E23 VanDerWaalsContact O-N 3.1Å; F19-V24 HydrophobicContact CD1-CB 4Å; F19-V24 HydrophobicContact CD1-CG1 4.46Å; F19-V24 HydrophobicContact CD1-CG2 4.28Å; F19-V24 PolarHBondContact O-N 3.32Å; F19-E27 HydrophobicContact CB-CB 4.32Å; F19-E27 HydrophobicContact CD1-CB 3.82Å; F19-E27 HydrophobicContact CD1-CG 4.12Å; F19-E27 HydrophobicContact CD2-CB 3.6Å; F19-E27 HydrophobicContact CE1-CB 3.89Å; F19-E27 HydrophobicContact CE1-CG 3.8Å; F19-E27 HydrophobicContact CE2-CB 3.66Å; F19-E27 HydrophobicContact CE2-CG 4.19Å; F19-E27 HydrophobicContact CG-CB 3.68Å; F19-E27 HydrophobicContact CG-CG 4.47Å; F19-E27 HydrophobicContact CZ-CB 3.8Å; F19-E27 HydrophobicContact CZ-CG 3.82Å; F19-V28 HydrophobicContact CB-CG2 3.77Å; F19-Y31 HydrophobicContact CD2-CD2 4.33Å; F19-Y31 AromaticContact CD2-CE2 3.86Å; F19-Y31 HydrophobicContact CD2-CE2 3.86Å; F19-Y31 AromaticContact CE2-CE2 3.79Å; F19-Y31 HydrophobicContact CE2-CE2 3.79Å
20	I	92.9	Very high	91.1	Very high	32 Å²	32	61.8 Å²	61.8	16%	0.164	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-49.2	170.5	-66.8	171.5	0	0	0	110.1	Y16 A17 K18 D22 E23 V28 I56	Y16-I20 HydrophobicContact CD1-CD1 4.17Å; Y16-I20 HydrophobicContact CE1-CD1 3.48Å; Y16-I20 VanDerWaalsContact CE1-CD1 3.48Å; Y16-I20 HydrophobicContact CE2-CD1 4.11Å; Y16-I20 VanDerWaalsContact CZ-CD1 3.45Å; Y16-I20 PolarHBondContact O-N 3.25Å; Y16-I20 VanDerWaalsContact O-N 3.17Å; A17-I20 WeakPolarHBondContact O-CB 3.24Å; A17-I20 PolarHBondContact O-N 3.03Å; A17-I20 VanDerWaalsContact O-N 3.11Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 2.83Å; I20-D22 PolarHBondContact O-N 2.97Å; I20-E23 PolarHBondContact O-N 2.89Å; I20-V28 HydrophobicContact CG1-CG1 4.28Å; I20-V28 HydrophobicContact CG1-CG2 3.89Å; I20-I56 HydrophobicContact CD1-CG2 4.44Å; I20-I56 HydrophobicContact CG1-CG2 4.39Å; I20-I56 HydrophobicContact CG2-CG2 4.24Å
21	D	94.9	Very high	91.1	Very high	21 Å²	21	60.2 Å²	60.2	11%	0.112	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-34.2	179.9	-68.2	-13.4	0	0	0	112.3	A17 K18 K65 S66 G68	A17-D21 PolarHBondContact O-N 3.44Å; K18-D21 PolarHBondContact O-N 3.23Å; D21-K65 WeakPolarHBondContact O-CE 3.29Å; D21-S66 WeakPolarHBondContact CA-O 3.34Å; D21-G68 PolarHBondContact OD1-N 3.26Å
22	D	96.5	Very high	91.1	Very high	74 Å²	74	54.8 Å²	54.8	40%	0.396	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.2	177.4	-68.4	-18.7	0	0	0	113.7	K18 I20 V24	K18-D22 IonicContact NZ-OD1 2.68Å; K18-D22 PolarHBondContact NZ-OD1 3.16Å; K18-D22 IonicContact NZ-OD2 2.63Å; K18-D22 PolarHBondContact NZ-OD2 3Å; K18-D22 WeakPolarHBondContact O-CB 3.02Å; K18-D22 PolarHBondContact O-N 3.27Å; I20-D22 PolarHBondContact O-N 2.97Å; D22-V24 VanDerWaalsContact C-N 3.26Å; D22-V24 HydrophobicContact CB-CG2 3.8Å; D22-V24 PolarHBondContact O-N 3.13Å
23	E	95.8	Very high	91.1	Very high	75 Å²	75	52.3 Å²	52.3	35%	0.35	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.3	-179.8	-56.2	-171.4	142.5	0	0	114.1	F19 I20 W25	F19-E23 PolarHBondContact O-N 3.29Å; F19-E23 VanDerWaalsContact O-N 3.1Å; I20-E23 PolarHBondContact O-N 2.89Å; E23-W25 VanDerWaalsContact C-N 3.32Å; E23-W25 HydrophobicContact CB-CH2 4.13Å; E23-W25 HydrophobicContact CB-CZ2 3.47Å; E23-W25 VanDerWaalsContact CB-CZ2 3.47Å; E23-W25 HydrophobicContact CG-CH2 3.99Å; E23-W25 HydrophobicContact CG-CZ2 3.55Å; E23-W25 PolarHBondContact O-N 3.04Å; E23-W25 VanDerWaalsContact O-N 3.07Å; E23-W25 PolarHBondContact O-NE1 3.33Å
24	V	96.1	Very high	91	Very high	58 Å²	58	55.5 Å²	55.5	35%	0.352	30%	0.302	S	S	.	.			trans	-87.4	71	179.1	-166.9	0	0	0	0	110	F19 D22 A26 E27 V28	F19-V24 HydrophobicContact CD1-CB 4Å; F19-V24 HydrophobicContact CD1-CG1 4.46Å; F19-V24 HydrophobicContact CD1-CG2 4.28Å; F19-V24 PolarHBondContact O-N 3.32Å; D22-V24 VanDerWaalsContact C-N 3.26Å; D22-V24 HydrophobicContact CB-CG2 3.8Å; D22-V24 PolarHBondContact O-N 3.13Å; V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 3.43Å; V24-A26 VanDerWaalsContact O-N 3.15Å; V24-E27 HydrophobicContact CB-CB 4.49Å; V24-E27 HydrophobicContact CB-CG 4.44Å; V24-E27 HydrophobicContact CG1-CB 4.06Å; V24-E27 HydrophobicContact CG1-CG 3.56Å; V24-E27 PolarHBondContact O-N 3.48Å; V24-V28 PolarHBondContact O-N 2.92Å
25	W	93.6	Very high	90.8	Very high	67 Å²	67	55.9 Å²	55.9	25%	0.254	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-29.6	-167.7	-52.7	122.7	0	0	0	115.6	E23 E27 V28 E29 I56 A57 A60	E23-W25 VanDerWaalsContact C-N 3.32Å; E23-W25 HydrophobicContact CB-CH2 4.13Å; E23-W25 HydrophobicContact CB-CZ2 3.47Å; E23-W25 VanDerWaalsContact CB-CZ2 3.47Å; E23-W25 HydrophobicContact CG-CH2 3.99Å; E23-W25 HydrophobicContact CG-CZ2 3.55Å; E23-W25 PolarHBondContact O-N 3.04Å; E23-W25 VanDerWaalsContact O-N 3.07Å; E23-W25 PolarHBondContact O-NE1 3.33Å; W25-E27 VanDerWaalsContact C-N 3.33Å; W25-V28 HydrophobicContact CE3-CB 4.47Å; W25-V28 HydrophobicContact CE3-CG2 4.11Å; W25-V28 HydrophobicContact CZ3-CG2 4.48Å; W25-V28 PolarHBondContact O-N 2.78Å; W25-E29 WeakPolarHBondContact O-CB 3.29Å; W25-E29 PolarHBondContact O-N 3.39Å; W25-I56 HydrophobicContact CH2-CG2 4.36Å; W25-I56 HydrophobicContact CZ3-CG2 3.79Å; W25-A57 HydrophobicContact CD2-CB 3.74Å; W25-A57 HydrophobicContact CE3-CB 4.18Å; W25-A57 HydrophobicContact CG-CB 4.14Å; W25-A57 HydrophobicContact CH2-CB 4.43Å; W25-A57 HydrophobicContact CZ2-CB 3.99Å; W25-A60 HydrophobicContact CH2-CB 3.78Å; W25-A60 HydrophobicContact CZ2-CB 3.91Å
26	A	93.8	Very high	90.6	Very high	77 Å²	77	50.7 Å²	50.7	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-38.5	175.8	0	0	0	0	0	112	V24 G30	V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 3.43Å; V24-A26 VanDerWaalsContact O-N 3.15Å; A26-G30 PolarHBondContact O-N 3.48Å
27	E	91.3	Very high	90.5	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-73.1	-40.5	176.3	-62.4	-66.2	149.7	0	0	110.6	F19 V24 W25 E29 G30 Y31	F19-E27 HydrophobicContact CB-CB 4.32Å; F19-E27 HydrophobicContact CD1-CB 3.82Å; F19-E27 HydrophobicContact CD1-CG 4.12Å; F19-E27 HydrophobicContact CD2-CB 3.6Å; F19-E27 HydrophobicContact CE1-CB 3.89Å; F19-E27 HydrophobicContact CE1-CG 3.8Å; F19-E27 HydrophobicContact CE2-CB 3.66Å; F19-E27 HydrophobicContact CE2-CG 4.19Å; F19-E27 HydrophobicContact CG-CB 3.68Å; F19-E27 HydrophobicContact CG-CG 4.47Å; F19-E27 HydrophobicContact CZ-CB 3.8Å; F19-E27 HydrophobicContact CZ-CG 3.82Å; V24-E27 HydrophobicContact CB-CB 4.49Å; V24-E27 HydrophobicContact CB-CG 4.44Å; V24-E27 HydrophobicContact CG1-CB 4.06Å; V24-E27 HydrophobicContact CG1-CG 3.56Å; V24-E27 PolarHBondContact O-N 3.48Å; W25-E27 VanDerWaalsContact C-N 3.33Å; E27-E29 VanDerWaalsContact C-N 3.29Å; E27-E29 PolarHBondContact O-N 3.41Å; E27-G30 PolarHBondContact O-N 3.39Å; E27-G30 VanDerWaalsContact O-N 3.11Å; E27-Y31 WeakPolarHBondContact O-CD2 3.46Å; E27-Y31 PolarHBondContact O-N 2.84Å
28	V	90.8	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.7	-43.2	173.3	178.2	0	0	0	0	111.1	Y16 F19 I20 V24 W25 G30 Y31 Y32	Y16-V28 HydrophobicContact CE2-CG1 3.88Å; F19-V28 HydrophobicContact CB-CG2 3.77Å; I20-V28 HydrophobicContact CG1-CG1 4.28Å; I20-V28 HydrophobicContact CG1-CG2 3.89Å; V24-V28 PolarHBondContact O-N 2.92Å; W25-V28 HydrophobicContact CE3-CB 4.47Å; W25-V28 HydrophobicContact CE3-CG2 4.11Å; W25-V28 HydrophobicContact CZ3-CG2 4.48Å; W25-V28 PolarHBondContact O-N 2.78Å; V28-G30 VanDerWaalsContact C-N 3.32Å; V28-G30 PolarHBondContact O-N 2.91Å; V28-Y31 PolarHBondContact O-N 2.83Å; V28-Y32 HydrophobicContact CG1-CE2 4.22Å
29	E	90.7	Very high	90.3	Very high	68 Å²	68	48.4 Å²	48.4	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-42.6	176.1	-174.9	176.1	150.9	0	0	112.2	W25 E27 Y31 Y32 N49 S53	W25-E29 WeakPolarHBondContact O-CB 3.29Å; W25-E29 PolarHBondContact O-N 3.39Å; E27-E29 VanDerWaalsContact C-N 3.29Å; E27-E29 PolarHBondContact O-N 3.41Å; E29-Y31 PolarHBondContact O-N 2.81Å; E29-Y32 PolarHBondContact O-N 2.86Å; E29-N49 HydrophobicContact CG-CB 3.7Å; E29-S53 PolarHBondContact OE2-OG 2.8Å
30	G	88.4	Confident	90	Very high	64 Å²	64	49 Å²	49	66%	0.66	28%	0.284	S	S	*	.	H	α-helix	trans	-66.4	-18.8	-179.4	0	0	0	0	0	114.6	A26 E27 V28 Y32	A26-G30 PolarHBondContact O-N 3.48Å; E27-G30 PolarHBondContact O-N 3.39Å; E27-G30 VanDerWaalsContact O-N 3.11Å; V28-G30 VanDerWaalsContact C-N 3.32Å; V28-G30 PolarHBondContact O-N 2.91Å; G30-Y32 VanDerWaalsContact C-N 3.3Å
31	Y	86.7	Confident	89.7	Confident	44 Å²	44	53.6 Å²	53.6	17%	0.173	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.9	175.8	-97.9	-96.5	0	0	0	113.9	Q12 K15 Y16 F19 E27 V28 E29 T113	Q12-Y31 HydrophobicContact CB-CE1 4.27Å; Q12-Y31 VanDerWaalsContact O-CE1 3.26Å; Q12-Y31 WeakPolarHBondContact O-CE1 3.23Å; Q12-Y31 PolarHBondContact OE1-OH 2.75Å; K15-Y31 WeakPolarHBondContact CD-OH 3.21Å; K15-Y31 WeakPolarHBondContact CG-OH 3.42Å; Y16-Y31 HydrophobicContact CD2-CD1 4.07Å; Y16-Y31 HydrophobicContact CD2-CD2 4.36Å; Y16-Y31 AromaticContact CD2-CG 3.76Å; Y16-Y31 HydrophobicContact CD2-CG 3.76Å; Y16-Y31 HydrophobicContact CG-CD1 4.26Å; Y16-Y31 HydrophobicContact CG-CG 4.36Å; F19-Y31 HydrophobicContact CD2-CD2 4.33Å; F19-Y31 AromaticContact CD2-CE2 3.86Å; F19-Y31 HydrophobicContact CD2-CE2 3.86Å; F19-Y31 AromaticContact CE2-CE2 3.79Å; F19-Y31 HydrophobicContact CE2-CE2 3.79Å; E27-Y31 WeakPolarHBondContact O-CD2 3.46Å; E27-Y31 PolarHBondContact O-N 2.84Å; V28-Y31 PolarHBondContact O-N 2.83Å; E29-Y31 PolarHBondContact O-N 2.81Å; Y31-T113 PolarHBondContact O-OG1 2.86Å
32	Y	84.5	Confident	89.4	Confident	8 Å²	8	57 Å²	57	3%	0.031	34%	0.342	C	S	.	.	S	Bend	trans	-88.7	139.9	-177.7	-63.2	-54.1	0	0	0	112.5	Y16 V28 E29 G30 N49 K52 T113	Y16-Y32 HydrophobicContact CE2-CE1 4.29Å; Y16-Y32 PolarHBondContact OH-OH 3.14Å; V28-Y32 HydrophobicContact CG1-CE2 4.22Å; E29-Y32 PolarHBondContact O-N 2.86Å; G30-Y32 VanDerWaalsContact C-N 3.3Å; Y32-N49 VanDerWaalsContact CB-OD1 3.3Å; Y32-N49 WeakPolarHBondContact CB-OD1 3.29Å; Y32-N49 PolarHBondContact O-ND2 3.31Å; Y32-K52 HydrophobicContact CD1-CD 4.28Å; Y32-K52 HydrophobicContact CD2-CB 3.73Å; Y32-K52 HydrophobicContact CD2-CD 4.26Å; Y32-K52 HydrophobicContact CE2-CB 3.47Å; Y32-K52 VanDerWaalsContact CE2-CB 3.47Å; Y32-K52 HydrophobicContact CG-CB 4.43Å; Y32-K52 HydrophobicContact CG-CD 4.12Å; Y32-T113 HydrophobicContact CD1-CG2 3.65Å; Y32-T113 HydrophobicContact CE1-CG2 3.96Å
33	H	85.6	Confident	89	Confident	47 Å²	47	60 Å²	60	22%	0.218	35%	0.352	C	S	.	.			trans	-66.4	143.7	163.9	-167.5	-116.9	0	0	0	111.5	S35 G36 N49 K52 H110 G111	H33-S35 WeakPolarHBondContact ND1-CB 3.18Å; H33-S35 PolarHBondContact ND1-N 3.25Å; H33-S35 VanDerWaalsContact ND1-N 3.18Å; H33-S35 PolarHBondContact O-N 3.02Å; H33-S35 VanDerWaalsContact O-N 3.17Å; H33-G36 WeakPolarHBondContact O-CA 3.28Å; H33-G36 PolarHBondContact O-N 3.15Å; H33-N49 PolarHBondContact O-OD1 3.17Å; H33-K52 PolarHBondContact O-NZ 2.85Å; H33-K52 VanDerWaalsContact O-NZ 3.09Å; H33-H110 PolarHBondContact CD2-O 2.79Å; H33-G111 WeakPolarHBondContact CB-O 3.32Å; H33-G111 PolarHBondContact N-O 2.71Å
34	P	84.5	Confident	88.8	Confident	84 Å²	84	60.4 Å²	60.4	55%	0.545	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.4	174.9	-30	37	0	0	0	114.2
35	S	85	Confident	88.6	Confident	73 Å²	73	61 Å²	61	51%	0.51	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.3	175.7	-44	0	0	0	0	114.1	H33	H33-S35 WeakPolarHBondContact ND1-CB 3.18Å; H33-S35 PolarHBondContact ND1-N 3.25Å; H33-S35 VanDerWaalsContact ND1-N 3.18Å; H33-S35 PolarHBondContact O-N 3.02Å; H33-S35 VanDerWaalsContact O-N 3.17Å
36	G	84.3	Confident	88.5	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.021	36%	0.357	C	S	.	.			trans	-68.9	148.8	179.9	0	0	0	0	0	112	H33 K52 T113	H33-G36 WeakPolarHBondContact O-CA 3.28Å; H33-G36 PolarHBondContact O-N 3.15Å; G36-K52 VanDerWaalsContact C-NZ 3.33Å; G36-K52 PolarHBondContact O-NZ 3.47Å; G36-T113 WeakPolarHBondContact CA-O 3.25Å
37	V	88.1	Confident	88.4	Confident	45 Å²	45	61.4 Å²	61.4	27%	0.273	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.5	179	-176.3	0	0	0	0	108.6	V39 A45 Y47 V114 L115	V37-V39 HydrophobicContact CG1-CG2 3.86Å; V37-A45 HydrophobicContact CG1-CB 4.1Å; V37-Y47 HydrophobicContact CG2-CD2 4.08Å; V37-V114 HydrophobicContact CB-CG2 4.45Å; V37-V114 WeakPolarHBondContact O-CA 3.38Å; V37-V114 VanDerWaalsContact O-CG1 3.32Å; V37-V114 WeakPolarHBondContact O-CG1 3.4Å; V37-L115 PolarHBondContact O-N 3.37Å
38	L	89.1	Confident	88.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.8	166.1	-176	151.7	0	0	0	108.2	A45 V46 K52 Y55 I56 L115	L38-A45 CarbonylContact O-C 3.57Å; L38-A45 VanDerWaalsContact O-CA 3.32Å; L38-A45 WeakPolarHBondContact O-CA 3.32Å; L38-V46 HydrophobicContact CB-CB 4.35Å; L38-V46 HydrophobicContact CD2-CG2 4.4Å; L38-V46 PolarHBondContact N-O 3.44Å; L38-V46 PolarHBondContact O-N 3.42Å; L38-K52 HydrophobicContact CB-CB 4.39Å; L38-K52 HydrophobicContact CB-CD 3.9Å; L38-K52 HydrophobicContact CB-CG 3.71Å; L38-K52 HydrophobicContact CD1-CB 4.48Å; L38-Y55 HydrophobicContact CD1-CD1 4.34Å; L38-Y55 HydrophobicContact CD2-CD1 3.76Å; L38-Y55 HydrophobicContact CD2-CE1 3.77Å; L38-I56 HydrophobicContact CD1-CD1 3.94Å; L38-I56 HydrophobicContact CD1-CG1 4.1Å; L38-L115 CarbonylContact C-O 3.52Å; L38-L115 WeakPolarHBondContact CA-O 3.48Å; L38-L115 HydrophobicContact CD1-CD2 4.05Å; L38-L115 HydrophobicContact CG-CB 4.47Å
39	V	89.8	Confident	88.4	Confident	46 Å²	46	59.5 Å²	59.5	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.2	178.6	-178.5	0	0	0	0	108.7	V37 A45 L115 S116 V117	V37-V39 HydrophobicContact CG1-CG2 3.86Å; V39-A45 HydrophobicContact CG2-CB 4.3Å; V39-L115 PolarHBondContact N-O 3.47Å; V39-S116 CarbonylContact O-C 3.58Å; V39-S116 WeakPolarHBondContact O-CA 3.44Å; V39-V117 PolarHBondContact O-N 2.91Å
40	H	88.1	Confident	88.6	Confident	48 Å²	48	62.9 Å²	62.9	22%	0.222	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	103.8	163.2	-172.1	-176.2	0	0	0	107.7	G42 K43 E44 Y55	H40-G42 PolarHBondContact O-N 3.37Å; H40-K43 HydrophobicContact CB-CB 4.28Å; H40-K43 WeakPolarHBondContact ND1-CD 3.46Å; H40-K43 PolarHBondContact O-N 3.38Å; H40-E44 PolarHBondContact N-O 2.93Å; H40-E44 PolarHBondContact O-N 2.88Å; H40-E44 VanDerWaalsContact O-N 3.14Å; H40-Y55 PolarHBondContact ND1-OH 2.74Å
41	K	85.8	Confident	88.9	Confident	128 Å²	128	64.5 Å²	64.5	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	130.6	-169.8	-174.3	177.9	177.2	-176.2	0	111.1	K43 V117 Q118	K41-K43 PolarHBondContact O-N 3.18Å; K41-V117 WeakPolarHBondContact CB-O 3.15Å; K41-V117 PolarHBondContact N-O 3.5Å; K41-Q118 HydrophobicContact CD-CB 4.43Å; K41-Q118 HydrophobicContact CD-CG 3.95Å
42	G	88.1	Confident	89.2	Confident	92 Å²	92	62.4 Å²	62.4	95%	0.948	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	1.4	179.8	0	0	0	0	0	115	H40	H40-G42 PolarHBondContact O-N 3.37Å
43	K	88.7	Confident	89.6	Confident	137 Å²	137	62.2 Å²	62.2	60%	0.596	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-68.3	178.8	-167.9	179.4	-178.6	-178.9	0	112.2	H40 K41	H40-K43 HydrophobicContact CB-CB 4.28Å; H40-K43 WeakPolarHBondContact ND1-CD 3.46Å; H40-K43 PolarHBondContact O-N 3.38Å; K41-K43 PolarHBondContact O-N 3.18Å
44	E	92	Very high	90.1	Very high	84 Å²	84	62.6 Å²	62.6	39%	0.393	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	163.9	-174.1	64.5	-164.6	113.6	0	0	112.6	H40 V46 Y55	H40-E44 PolarHBondContact N-O 2.93Å; H40-E44 PolarHBondContact O-N 2.88Å; H40-E44 VanDerWaalsContact O-N 3.14Å; E44-V46 HydrophobicContact CG-CG2 4.26Å; E44-Y55 HydrophobicContact CG-CE2 4.07Å; E44-Y55 VanDerWaalsContact OE1-CE2 3.24Å; E44-Y55 WeakPolarHBondContact OE1-CE2 3.42Å
45	A	91.7	Very high	90.5	Very high	70 Å²	70	60.1 Å²	60.1	58%	0.579	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	168	0	0	0	0	0	108.9	V37 L38 V39	V37-A45 HydrophobicContact CG1-CB 4.1Å; L38-A45 CarbonylContact O-C 3.57Å; L38-A45 VanDerWaalsContact O-CA 3.32Å; L38-A45 WeakPolarHBondContact O-CA 3.32Å; V39-A45 HydrophobicContact CG2-CB 4.3Å
46	V	92	Very high	90.8	Very high	15 Å²	15	57.9 Å²	57.9	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.9	-175.1	-171	0	0	0	0	109	L38 E44 D51 K52 Y55	L38-V46 HydrophobicContact CB-CB 4.35Å; L38-V46 HydrophobicContact CD2-CG2 4.4Å; L38-V46 PolarHBondContact N-O 3.44Å; L38-V46 PolarHBondContact O-N 3.42Å; E44-V46 HydrophobicContact CG-CG2 4.26Å; V46-D51 VanDerWaalsContact CG1-C 3.48Å; V46-D51 HydrophobicContact CG1-CB 3.66Å; V46-K52 HydrophobicContact CB-CG 4.21Å; V46-K52 HydrophobicContact CG1-CG 4Å; V46-Y55 HydrophobicContact CG2-CD2 3.96Å; V46-Y55 HydrophobicContact CG2-CG 3.98Å
47	Y	91.6	Very high	91.3	Very high	139 Å²	139	58.5 Å²	58.5	55%	0.545	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.5	178.8	-175.7	-100.6	0	0	0	110.4	V37 D51	V37-Y47 HydrophobicContact CG2-CD2 4.08Å; Y47-D51 WeakPolarHBondContact O-CB 3.33Å
48	G	91.4	Very high	91.7	Very high	21 Å²	21	62.8 Å²	62.8	22%	0.216	34%	0.337	C	S	.	.	S	Bend	trans	89	134.3	-176.9	0	0	0	0	0	112.7	K50 D51 K52	G48-K50 PolarHBondContact O-N 3.42Å; G48-D51 PolarHBondContact O-N 2.9Å; G48-K52 VanDerWaalsContact O-CE 3.24Å; G48-K52 WeakPolarHBondContact O-CE 3.42Å; G48-K52 WeakPolarHBondContact O-CG 3.22Å; G48-K52 PolarHBondContact O-N 2.78Å
49	N	90.9	Very high	91.7	Very high	33 Å²	33	66.7 Å²	66.7	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-47.5	-170.8	-71.3	3.7	0	0	0	112.6	E29 Y32 H33 D51 K52 S53	E29-N49 HydrophobicContact CG-CB 3.7Å; Y32-N49 VanDerWaalsContact CB-OD1 3.3Å; Y32-N49 WeakPolarHBondContact CB-OD1 3.29Å; Y32-N49 PolarHBondContact O-ND2 3.31Å; H33-N49 PolarHBondContact O-OD1 3.17Å; N49-D51 VanDerWaalsContact C-N 3.34Å; N49-D51 PolarHBondContact O-N 2.78Å; N49-K52 PolarHBondContact O-N 3.37Å; N49-K52 WeakPolarHBondContact OD1-CE 3.43Å; N49-K52 PolarHBondContact OD1-NZ 3.22Å; N49-S53 PolarHBondContact O-N 3.18Å; N49-S53 PolarHBondContact O-OG 2.89Å
50	K	94.9	Very high	91.8	Very high	140 Å²	140	64.8 Å²	64.8	61%	0.609	34%	0.343	S	S	*	.	H	α-helix	trans	-61.5	-39.5	178.2	-173.7	173.2	-176.9	175.9	0	113.1	G48 S53 T54	G48-K50 PolarHBondContact O-N 3.42Å; K50-S53 PolarHBondContact O-OG 3.3Å; K50-T54 WeakPolarHBondContact O-CB 3.48Å; K50-T54 PolarHBondContact O-N 2.9Å; K50-T54 PolarHBondContact O-OG1 3.39Å
51	D	94.9	Very high	92.2	Very high	97 Å²	97	69.4 Å²	69.4	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-70.8	-36.4	179.4	-68.5	-10.1	0	0	0	110.6	V46 Y47 G48 N49 Y55	V46-D51 VanDerWaalsContact CG1-C 3.48Å; V46-D51 HydrophobicContact CG1-CB 3.66Å; Y47-D51 WeakPolarHBondContact O-CB 3.33Å; G48-D51 PolarHBondContact O-N 2.9Å; N49-D51 VanDerWaalsContact C-N 3.34Å; N49-D51 PolarHBondContact O-N 2.78Å; D51-Y55 VanDerWaalsContact O-CB 3.24Å; D51-Y55 WeakPolarHBondContact O-CB 3.26Å; D51-Y55 PolarHBondContact O-N 3.37Å
52	K	92.2	Very high	92.5	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-47.8	173.7	-68.4	175.4	-65	-157	0	111.9	Y32 H33 G36 L38 V46 G48 N49 Y55 I56	Y32-K52 HydrophobicContact CD1-CD 4.28Å; Y32-K52 HydrophobicContact CD2-CB 3.73Å; Y32-K52 HydrophobicContact CD2-CD 4.26Å; Y32-K52 HydrophobicContact CE2-CB 3.47Å; Y32-K52 VanDerWaalsContact CE2-CB 3.47Å; Y32-K52 HydrophobicContact CG-CB 4.43Å; Y32-K52 HydrophobicContact CG-CD 4.12Å; H33-K52 PolarHBondContact O-NZ 2.85Å; H33-K52 VanDerWaalsContact O-NZ 3.09Å; G36-K52 VanDerWaalsContact C-NZ 3.33Å; G36-K52 PolarHBondContact O-NZ 3.47Å; L38-K52 HydrophobicContact CB-CB 4.39Å; L38-K52 HydrophobicContact CB-CD 3.9Å; L38-K52 HydrophobicContact CB-CG 3.71Å; L38-K52 HydrophobicContact CD1-CB 4.48Å; V46-K52 HydrophobicContact CB-CG 4.21Å; V46-K52 HydrophobicContact CG1-CG 4Å; G48-K52 VanDerWaalsContact O-CE 3.24Å; G48-K52 WeakPolarHBondContact O-CE 3.42Å; G48-K52 WeakPolarHBondContact O-CG 3.22Å; G48-K52 PolarHBondContact O-N 2.78Å; N49-K52 PolarHBondContact O-N 3.37Å; N49-K52 WeakPolarHBondContact OD1-CE 3.43Å; N49-K52 PolarHBondContact OD1-NZ 3.22Å; K52-Y55 WeakPolarHBondContact O-CB 3.44Å; K52-Y55 PolarHBondContact O-N 2.96Å; K52-I56 PolarHBondContact O-N 3.02Å; K52-I56 VanDerWaalsContact O-N 3.17Å
53	S	92.8	Very high	92.8	Very high	5 Å²	5	62.3 Å²	62.3	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-41.7	176.8	60.4	0	0	0	0	111.6	E29 N49 K50 Y55 I56 A57	E29-S53 PolarHBondContact OE2-OG 2.8Å; N49-S53 PolarHBondContact O-N 3.18Å; N49-S53 PolarHBondContact O-OG 2.89Å; K50-S53 PolarHBondContact O-OG 3.3Å; S53-Y55 VanDerWaalsContact C-N 3.32Å; S53-Y55 PolarHBondContact O-N 2.78Å; S53-I56 PolarHBondContact O-N 2.79Å; S53-A57 WeakPolarHBondContact O-CB 3.46Å; S53-A57 PolarHBondContact O-N 3.02Å
54	T	95.9	Very high	93	Very high	54 Å²	54	55.9 Å²	55.9	33%	0.331	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-39.1	174.7	-59.3	0	0	0	0	112	K50 A57 K58	K50-T54 WeakPolarHBondContact O-CB 3.48Å; K50-T54 PolarHBondContact O-N 2.9Å; K50-T54 PolarHBondContact O-OG1 3.39Å; T54-A57 PolarHBondContact O-N 2.77Å; T54-K58 HydrophobicContact CG2-CD 4.32Å; T54-K58 HydrophobicContact CG2-CG 4.48Å; T54-K58 WeakPolarHBondContact O-CB 3.37Å; T54-K58 WeakPolarHBondContact O-CG 3.46Å; T54-K58 PolarHBondContact O-N 2.88Å
55	Y	93.8	Very high	93.1	Very high	33 Å²	33	56.1 Å²	56.1	13%	0.129	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-45.7	177.3	175.7	-93.5	0	0	0	111.7	L38 H40 E44 V46 D51 K52 S53 K58 F59	L38-Y55 HydrophobicContact CD1-CD1 4.34Å; L38-Y55 HydrophobicContact CD2-CD1 3.76Å; L38-Y55 HydrophobicContact CD2-CE1 3.77Å; H40-Y55 PolarHBondContact ND1-OH 2.74Å; E44-Y55 HydrophobicContact CG-CE2 4.07Å; E44-Y55 VanDerWaalsContact OE1-CE2 3.24Å; E44-Y55 WeakPolarHBondContact OE1-CE2 3.42Å; V46-Y55 HydrophobicContact CG2-CD2 3.96Å; V46-Y55 HydrophobicContact CG2-CG 3.98Å; D51-Y55 VanDerWaalsContact O-CB 3.24Å; D51-Y55 WeakPolarHBondContact O-CB 3.26Å; D51-Y55 PolarHBondContact O-N 3.37Å; K52-Y55 WeakPolarHBondContact O-CB 3.44Å; K52-Y55 PolarHBondContact O-N 2.96Å; S53-Y55 VanDerWaalsContact C-N 3.32Å; S53-Y55 PolarHBondContact O-N 2.78Å; Y55-K58 PolarHBondContact O-N 2.99Å; Y55-F59 PolarHBondContact O-N 2.89Å; Y55-F59 VanDerWaalsContact O-N 3.12Å
56	I	91.4	Very high	93.2	Very high	26 Å²	26	53.4 Å²	53.4	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-42.5	175.8	-61.4	-61.8	0	0	0	111.1	I20 W25 L38 K52 S53 K58 F59 A60	I20-I56 HydrophobicContact CD1-CG2 4.44Å; I20-I56 HydrophobicContact CG1-CG2 4.39Å; I20-I56 HydrophobicContact CG2-CG2 4.24Å; W25-I56 HydrophobicContact CH2-CG2 4.36Å; W25-I56 HydrophobicContact CZ3-CG2 3.79Å; L38-I56 HydrophobicContact CD1-CD1 3.94Å; L38-I56 HydrophobicContact CD1-CG1 4.1Å; K52-I56 PolarHBondContact O-N 3.02Å; K52-I56 VanDerWaalsContact O-N 3.17Å; S53-I56 PolarHBondContact O-N 2.79Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 3.4Å; I56-F59 WeakPolarHBondContact O-CB 3.48Å; I56-F59 PolarHBondContact O-N 2.97Å; I56-F59 VanDerWaalsContact O-N 3.1Å; I56-A60 PolarHBondContact O-N 3.43Å
57	A	95.1	Very high	93.3	Very high	15 Å²	15	57 Å²	57	12%	0.124	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-42.3	176.9	0	0	0	0	0	112.1	W25 S53 T54 F59 A60 E61	W25-A57 HydrophobicContact CD2-CB 3.74Å; W25-A57 HydrophobicContact CE3-CB 4.18Å; W25-A57 HydrophobicContact CG-CB 4.14Å; W25-A57 HydrophobicContact CH2-CB 4.43Å; W25-A57 HydrophobicContact CZ2-CB 3.99Å; S53-A57 WeakPolarHBondContact O-CB 3.46Å; S53-A57 PolarHBondContact O-N 3.02Å; T54-A57 PolarHBondContact O-N 2.77Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 2.97Å; A57-A60 PolarHBondContact O-N 3.33Å; A57-E61 PolarHBondContact O-N 3.31Å
58	K	94.5	Very high	93.3	Very high	134 Å²	134	51.8 Å²	51.8	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-63.2	-36.3	174.3	-78	178.2	178.5	177.6	0	112.8	T54 Y55 I56 G62	T54-K58 HydrophobicContact CG2-CD 4.32Å; T54-K58 HydrophobicContact CG2-CG 4.48Å; T54-K58 WeakPolarHBondContact O-CB 3.37Å; T54-K58 WeakPolarHBondContact O-CG 3.46Å; T54-K58 PolarHBondContact O-N 2.88Å; Y55-K58 PolarHBondContact O-N 2.99Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 3.4Å; K58-G62 PolarHBondContact O-N 3.07Å; K58-G62 VanDerWaalsContact O-N 3.15Å
59	F	89.9	Confident	93.5	Very high	84 Å²	84	54.7 Å²	54.7	37%	0.368	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-48.9	173.3	-171.7	-90.6	0	0	0	110.1	Y55 I56 A57 E61 G62 T63 V98	Y55-F59 PolarHBondContact O-N 2.89Å; Y55-F59 VanDerWaalsContact O-N 3.12Å; I56-F59 WeakPolarHBondContact O-CB 3.48Å; I56-F59 PolarHBondContact O-N 2.97Å; I56-F59 VanDerWaalsContact O-N 3.1Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 2.97Å; F59-E61 PolarHBondContact O-N 3.47Å; F59-G62 PolarHBondContact O-N 3.16Å; F59-T63 HydrophobicContact CD1-CG2 4.16Å; F59-T63 HydrophobicContact CE1-CG2 3.73Å; F59-T63 HydrophobicContact CE2-CG2 4.34Å; F59-T63 HydrophobicContact CZ-CG2 3.82Å; F59-T63 PolarHBondContact O-N 3.4Å; F59-T63 PolarHBondContact O-OG1 3.07Å; F59-T63 VanDerWaalsContact O-OG1 3.07Å; F59-V98 HydrophobicContact CZ-CG1 4.06Å; F59-V98 HydrophobicContact CZ-CG2 4.27Å
60	A	92.7	Very high	93.5	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-42.2	177.1	0	0	0	0	0	112.9	W25 I56 A57 G62 T63 G64	W25-A60 HydrophobicContact CH2-CB 3.78Å; W25-A60 HydrophobicContact CZ2-CB 3.91Å; I56-A60 PolarHBondContact O-N 3.43Å; A57-A60 PolarHBondContact O-N 3.33Å; A60-G62 VanDerWaalsContact C-N 3.28Å; A60-G62 PolarHBondContact O-N 3.29Å; A60-T63 PolarHBondContact O-N 3.1Å; A60-G64 CarbonylContact O-C 3.57Å; A60-G64 VanDerWaalsContact O-C 3.27Å; A60-G64 WeakPolarHBondContact O-CA 3.48Å; A60-G64 PolarHBondContact O-N 3.17Å
61	E	94.9	Very high	93.5	Very high	145 Å²	145	52.4 Å²	52.4	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-57.2	-43.1	174.3	-77.9	-179.3	164.6	0	0	112	A57 F59 K94	A57-E61 PolarHBondContact O-N 3.31Å; F59-E61 PolarHBondContact O-N 3.47Å; E61-K94 PolarHBondContact O-NZ 3.11Å
62	G	93.2	Very high	93.4	Very high	57 Å²	57	53.8 Å²	53.8	59%	0.588	31%	0.305	S	S	*	.	H	α-helix	trans	-69.7	-40.8	-180	0	0	0	0	0	113.5	K58 F59 A60	K58-G62 PolarHBondContact O-N 3.07Å; K58-G62 VanDerWaalsContact O-N 3.15Å; F59-G62 PolarHBondContact O-N 3.16Å; A60-G62 VanDerWaalsContact C-N 3.28Å; A60-G62 PolarHBondContact O-N 3.29Å
63	T	93.9	Very high	93.4	Very high	13 Å²	13	55.7 Å²	55.7	8%	0.08	32%	0.321	C	S	.	.	H	α-helix	trans	-93.4	-10	-178	60.8	0	0	0	0	114.1	F59 A60 T92 K94 A95	F59-T63 HydrophobicContact CD1-CG2 4.16Å; F59-T63 HydrophobicContact CE1-CG2 3.73Å; F59-T63 HydrophobicContact CE2-CG2 4.34Å; F59-T63 HydrophobicContact CZ-CG2 3.82Å; F59-T63 PolarHBondContact O-N 3.4Å; F59-T63 PolarHBondContact O-OG1 3.07Å; F59-T63 VanDerWaalsContact O-OG1 3.07Å; A60-T63 PolarHBondContact O-N 3.1Å; T63-T92 WeakPolarHBondContact O-CB 3.22Å; T63-K94 WeakPolarHBondContact O-CA 3.33Å; T63-K94 WeakPolarHBondContact O-CB 3.28Å; T63-K94 PolarHBondContact O-N 2.93Å; T63-A95 HydrophobicContact CG2-CB 3.94Å
64	G	94.2	Very high	93.4	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.031	34%	0.341	C	S	.	.			trans	74.6	173.8	-165	0	0	0	0	0	112.3	A60	A60-G64 CarbonylContact O-C 3.57Å; A60-G64 VanDerWaalsContact O-C 3.27Å; A60-G64 WeakPolarHBondContact O-CA 3.48Å; A60-G64 PolarHBondContact O-N 3.17Å
65	K	92.8	Very high	93.1	Very high	88 Å²	88	58.8 Å²	58.8	38%	0.383	33%	0.329	S	S	.	.	S	Bend	trans	-55.9	147	-179	-171.6	175.2	-177.6	174.4	0	109.6	D21 E93	D21-K65 WeakPolarHBondContact O-CE 3.29Å; K65-E93 HydrophobicContact CB-CG 4.23Å; K65-E93 PolarHBondContact N-OE2 3.31Å; K65-E93 WeakPolarHBondContact O-CG 3.01Å; K65-E93 PolarHBondContact O-N 3.39Å
66	S	93.2	Very high	92.9	Very high	13 Å²	13	60.9 Å²	60.9	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152	-176.7	66.3	0	0	0	0	113	D21 S90 E91	D21-S66 WeakPolarHBondContact CA-O 3.34Å; S66-S90 VanDerWaalsContact CB-OG 3.28Å; S66-S90 WeakPolarHBondContact CB-OG 3.33Å; S66-S90 PolarHBondContact OG-OG 3.34Å; S66-E91 WeakPolarHBondContact CA-O 3.43Å
67	V	94.8	Very high	92.6	Very high	90 Å²	90	60.6 Å²	60.6	55%	0.545	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.1	167.6	179.6	0	0	0	0	108.7	S90 E91	V67-S90 WeakPolarHBondContact O-CA 3.42Å; V67-E91 PolarHBondContact N-O 2.96Å; V67-E91 VanDerWaalsContact N-O 3.07Å; V67-E91 PolarHBondContact O-N 2.9Å; V67-E91 VanDerWaalsContact O-N 3.09Å
68	G	92.1	Very high	91.7	Very high	30 Å²	30	63.7 Å²	63.7	31%	0.309	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.3	179.5	0	0	0	0	0	113.7	D21 S89	D21-G68 PolarHBondContact OD1-N 3.26Å; G68-S89 CarbonylContact C-O 3.57Å
69	T	94.4	Very high	91.1	Very high	82 Å²	82	60.6 Å²	60.6	50%	0.503	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.1	165.4	54.1	0	0	0	0	109.4	F88 S89	T69-F88 CarbonylContact O-C 3.59Å; T69-F88 VanDerWaalsContact O-CA 3.27Å; T69-F88 WeakPolarHBondContact O-CA 3.24Å; T69-S89 PolarHBondContact N-O 3.06Å; T69-S89 PolarHBondContact O-N 3.4Å; T69-S89 PolarHBondContact OG1-O 2.83Å; T69-S89 VanDerWaalsContact OG1-O 3.13Å
70	T	91.7	Very high	90.7	Very high	47 Å²	47	60.8 Å²	60.8	29%	0.288	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.1	172.8	52.4	0	0	0	0	111.6	F13 A86 D87 F88 L102	F13-T70 HydrophobicContact CE1-CG2 3.49Å; F13-T70 VanDerWaalsContact CE1-CG2 3.49Å; F13-T70 HydrophobicContact CZ-CG2 3.78Å; T70-A86 HydrophobicContact CG2-CB 4.33Å; T70-D87 CarbonylContact C-O 3.58Å; T70-D87 VanDerWaalsContact CA-O 3.25Å; T70-D87 WeakPolarHBondContact CA-O 3.32Å; T70-F88 HydrophobicContact CG2-CB 4.26Å; T70-L102 HydrophobicContact CG2-CD2 4.01Å
71	T	94.1	Very high	90.1	Very high	78 Å²	78	65.4 Å²	65.4	48%	0.479	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	166.6	176.8	59.3	0	0	0	0	110	A73 D87	T71-A73 PolarHBondContact O-N 3.18Å; T71-D87 PolarHBondContact N-O 3.15Å; T71-D87 PolarHBondContact O-N 3.06Å
72	N	94.7	Very high	89.6	Confident	126 Å²	126	59.2 Å²	59.2	67%	0.674	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.4	33.6	-179.6	-55.8	-35.3	0	0	0	113.3	K74 D87	N72-K74 PolarHBondContact O-N 3.48Å; N72-D87 PolarHBondContact ND2-OD2 2.82Å
73	A	92	Very high	89.4	Confident	41 Å²	41	58.8 Å²	58.8	34%	0.339	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.4	-178.5	0	0	0	0	0	110.4	T71 Y75 T85 A86	T71-A73 PolarHBondContact O-N 3.18Å; A73-Y75 HydrophobicContact CB-CE2 3.71Å; A73-T85 CarbonylContact C-O 3.57Å; A73-T85 VanDerWaalsContact CA-O 3.26Å; A73-T85 WeakPolarHBondContact CA-O 3.42Å; A73-A86 HydrophobicContact CB-CB 4.06Å
74	K	92.3	Very high	89.1	Confident	107 Å²	107	58.2 Å²	58.2	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.4	173.2	-173	-170.6	-179.2	-151.6	0	108.6	N72 E76 I84 T85	N72-K74 PolarHBondContact O-N 3.48Å; K74-E76 HydrophobicContact CD-CG 4.24Å; K74-E76 WeakPolarHBondContact CD-OE2 3.42Å; K74-E76 VanDerWaalsContact CE-OE1 3.29Å; K74-E76 WeakPolarHBondContact CE-OE1 3.47Å; K74-E76 WeakPolarHBondContact CE-OE2 3.48Å; K74-E76 HydrophobicContact CG-CG 4.13Å; K74-E76 IonicContact NZ-OE1 3.06Å; K74-E76 PolarHBondContact NZ-OE1 3.4Å; K74-E76 IonicContact NZ-OE2 2.73Å; K74-E76 PolarHBondContact NZ-OE2 3.47Å; K74-I84 VanDerWaalsContact O-CA 3.32Å; K74-I84 WeakPolarHBondContact O-CA 3.48Å; K74-T85 PolarHBondContact N-O 2.73Å; K74-T85 PolarHBondContact O-N 2.86Å
75	Y	89.5	Confident	89	Confident	17 Å²	17	59.9 Å²	59.9	7%	0.067	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128	-180	-57.6	-92	0	0	0	110	E6 L9 K10 A73 I83 I84	E6-Y75 HydrophobicContact CB-CD1 4.48Å; E6-Y75 HydrophobicContact CB-CD2 3.83Å; E6-Y75 HydrophobicContact CB-CG 3.78Å; E6-Y75 HydrophobicContact CG-CD2 3.5Å; E6-Y75 HydrophobicContact CG-CE2 3.81Å; E6-Y75 HydrophobicContact CG-CG 3.92Å; L9-Y75 HydrophobicContact CB-CD1 3.74Å; L9-Y75 HydrophobicContact CB-CE1 3.99Å; L9-Y75 HydrophobicContact CD1-CD1 4.02Å; K10-Y75 HydrophobicContact CB-CE1 3.95Å; A73-Y75 HydrophobicContact CB-CE2 3.71Å; Y75-I83 WeakPolarHBondContact CA-O 3.26Å; Y75-I84 HydrophobicContact CD1-CB 4.05Å; Y75-I84 HydrophobicContact CD1-CD1 4.23Å; Y75-I84 HydrophobicContact CD1-CG1 4.01Å; Y75-I84 HydrophobicContact CE1-CB 4.13Å; Y75-I84 HydrophobicContact CE1-CD1 3.46Å; Y75-I84 VanDerWaalsContact CE1-CD1 3.46Å; Y75-I84 HydrophobicContact CE1-CG1 3.75Å
76	E	88.9	Confident	89	Confident	76 Å²	76	55.9 Å²	55.9	36%	0.355	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.1	-176	-58.6	-175	92.9	0	0	109.8	K74 L82 I83	K74-E76 HydrophobicContact CD-CG 4.24Å; K74-E76 WeakPolarHBondContact CD-OE2 3.42Å; K74-E76 VanDerWaalsContact CE-OE1 3.29Å; K74-E76 WeakPolarHBondContact CE-OE1 3.47Å; K74-E76 WeakPolarHBondContact CE-OE2 3.48Å; K74-E76 HydrophobicContact CG-CG 4.13Å; K74-E76 IonicContact NZ-OE1 3.06Å; K74-E76 PolarHBondContact NZ-OE1 3.4Å; K74-E76 IonicContact NZ-OE2 2.73Å; K74-E76 PolarHBondContact NZ-OE2 3.47Å; E76-L82 CarbonylContact O-C 3.27Å; E76-L82 WeakPolarHBondContact O-CA 3.36Å; E76-I83 HydrophobicContact CB-CB 4.44Å; E76-I83 PolarHBondContact N-O 2.85Å; E76-I83 PolarHBondContact O-N 3.1Å
77	G	84.8	Confident	89	Confident	21 Å²	21	57 Å²	57	22%	0.216	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133	170	0	0	0	0	0	109.8	Y81	G77-Y81 CarbonylContact C-O 3.54Å; G77-Y81 WeakPolarHBondContact CA-O 3.45Å
78	S	78.1	Confident	88.8	Confident	79 Å²	79	54.9 Å²	54.9	55%	0.552	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	109.1	175	-169.2	0	0	0	0	110.4	D80 Y81	S78-D80 PolarHBondContact O-N 3.42Å; S78-Y81 PolarHBondContact N-O 2.96Å; S78-Y81 WeakPolarHBondContact O-CB 3.28Å; S78-Y81 PolarHBondContact O-N 2.84Å
79	G	81	Confident	88.9	Confident	70 Å²	70	54.6 Å²	54.6	72%	0.722	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-126.3	-171	0	0	0	0	0	110.6	Y81	G79-Y81 VanDerWaalsContact C-N 3.27Å; G79-Y81 PolarHBondContact O-N 3.2Å
80	D	81.8	Confident	88.7	Confident	88 Å²	88	51.3 Å²	51.3	47%	0.471	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.5	178.3	-56.6	-41.1	0	0	0	113.3	S78 N107 F108	S78-D80 PolarHBondContact O-N 3.42Å; D80-N107 VanDerWaalsContact C-OD1 3.28Å; D80-N107 WeakPolarHBondContact CB-OD1 3.43Å; D80-N107 CarbonylContact O-C 3.59Å; D80-N107 WeakPolarHBondContact O-CA 3.41Å; D80-N107 PolarHBondContact O-OD1 3.06Å; D80-F108 PolarHBondContact O-N 3.01Å
81	Y	80.6	Confident	88.9	Confident	102 Å²	102	54 Å²	54	40%	0.4	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.8	-175.1	-56.8	-84.7	0	0	0	112.3	G77 S78 G79 W105 G106 N107	G77-Y81 CarbonylContact C-O 3.54Å; G77-Y81 WeakPolarHBondContact CA-O 3.45Å; S78-Y81 PolarHBondContact N-O 2.96Å; S78-Y81 WeakPolarHBondContact O-CB 3.28Å; S78-Y81 PolarHBondContact O-N 2.84Å; G79-Y81 VanDerWaalsContact C-N 3.27Å; G79-Y81 PolarHBondContact O-N 3.2Å; Y81-W105 AromaticContact CD1-CE3 3.89Å; Y81-W105 HydrophobicContact CD1-CE3 3.89Å; Y81-W105 HydrophobicContact CD1-CZ3 4.02Å; Y81-W105 HydrophobicContact CE1-CE3 4.22Å; Y81-W105 AromaticContact CE1-CZ3 3.85Å; Y81-W105 HydrophobicContact CE1-CZ3 3.85Å; Y81-G106 CarbonylContact C-O 3.58Å; Y81-G106 WeakPolarHBondContact CA-O 3.31Å; Y81-N107 HydrophobicContact CD1-CB 4.06Å; Y81-N107 HydrophobicContact CE1-CB 4.01Å; Y81-N107 VanDerWaalsContact CE1-CG 3.43Å; Y81-N107 WeakPolarHBondContact CE1-ND2 3.17Å
82	L	84.6	Confident	88.9	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135	170.8	-66.8	177.9	0	0	0	108.5	A5 L8 L9 E76 W105 G106 F108	A5-L82 HydrophobicContact CB-CD2 3.48Å; A5-L82 VanDerWaalsContact CB-CD2 3.48Å; L8-L82 HydrophobicContact CB-CD1 4.36Å; L9-L82 HydrophobicContact CD1-CB 3.61Å; L9-L82 HydrophobicContact CD2-CB 3.74Å; L9-L82 HydrophobicContact CD2-CD1 4.14Å; L9-L82 HydrophobicContact CG-CB 3.68Å; L9-L82 HydrophobicContact CG-CD1 3.98Å; L9-L82 HydrophobicContact CG-CG 4.36Å; E76-L82 CarbonylContact O-C 3.27Å; E76-L82 WeakPolarHBondContact O-CA 3.36Å; L82-W105 CarbonylContact O-C 3.55Å; L82-W105 VanDerWaalsContact O-CA 3.25Å; L82-W105 WeakPolarHBondContact O-CA 3.25Å; L82-G106 PolarHBondContact N-O 2.77Å; L82-G106 PolarHBondContact O-N 2.9Å; L82-F108 HydrophobicContact CD1-CD2 3.92Å; L82-F108 HydrophobicContact CD1-CE1 4.5Å; L82-F108 HydrophobicContact CD1-CE2 3.55Å; L82-F108 HydrophobicContact CD1-CZ 3.88Å; L82-F108 HydrophobicContact CD2-CD2 4.3Å; L82-F108 HydrophobicContact CD2-CE2 3.57Å; L82-F108 HydrophobicContact CD2-CZ 4.3Å; L82-F108 HydrophobicContact CG-CD2 3.79Å; L82-F108 HydrophobicContact CG-CE2 3.51Å; L82-F108 HydrophobicContact CG-CZ 4.31Å
83	I	87.2	Confident	89	Confident	49 Å²	49	51.7 Å²	51.7	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.4	-177.4	-53	172.2	0	0	0	108.6	Y75 E76 H104 W105	Y75-I83 WeakPolarHBondContact CA-O 3.26Å; E76-I83 HydrophobicContact CB-CB 4.44Å; E76-I83 PolarHBondContact N-O 2.85Å; E76-I83 PolarHBondContact O-N 3.1Å; I83-H104 CarbonylContact C-O 3.6Å; I83-H104 WeakPolarHBondContact CA-O 3.44Å; I83-W105 HydrophobicContact CG1-CB 3.92Å
84	I	88.8	Confident	89.2	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.4	163.1	-177.9	-175.6	0	0	0	109.1	L9 F13 K74 Y75 A86 L102 L103 H104	L9-I84 HydrophobicContact CD1-CB 4.22Å; F13-I84 HydrophobicContact CD1-CD1 4.05Å; F13-I84 HydrophobicContact CD2-CD1 4.18Å; F13-I84 HydrophobicContact CD2-CG2 4.36Å; F13-I84 HydrophobicContact CE1-CD1 4.4Å; F13-I84 HydrophobicContact CG-CD1 3.95Å; K74-I84 VanDerWaalsContact O-CA 3.32Å; K74-I84 WeakPolarHBondContact O-CA 3.48Å; Y75-I84 HydrophobicContact CD1-CB 4.05Å; Y75-I84 HydrophobicContact CD1-CD1 4.23Å; Y75-I84 HydrophobicContact CD1-CG1 4.01Å; Y75-I84 HydrophobicContact CE1-CB 4.13Å; Y75-I84 HydrophobicContact CE1-CD1 3.46Å; Y75-I84 VanDerWaalsContact CE1-CD1 3.46Å; Y75-I84 HydrophobicContact CE1-CG1 3.75Å; I84-A86 HydrophobicContact CD1-CB 4.48Å; I84-L102 HydrophobicContact CG2-CD1 4.31Å; I84-L103 WeakPolarHBondContact O-CA 3.28Å; I84-H104 HydrophobicContact CG2-CB 3.59Å; I84-H104 PolarHBondContact N-O 3.13Å; I84-H104 PolarHBondContact O-N 2.94Å
85	T	91.7	Very high	89.3	Confident	38 Å²	38	54.5 Å²	54.5	23%	0.233	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.2	161.6	45.6	0	0	0	0	108.9	A73 K74 L102 L103	A73-T85 CarbonylContact C-O 3.57Å; A73-T85 VanDerWaalsContact CA-O 3.26Å; A73-T85 WeakPolarHBondContact CA-O 3.42Å; K74-T85 PolarHBondContact N-O 2.73Å; K74-T85 PolarHBondContact O-N 2.86Å; T85-L102 WeakPolarHBondContact CA-O 3.48Å; T85-L103 HydrophobicContact CG2-CB 4.02Å; T85-L103 HydrophobicContact CG2-CD1 3.62Å; T85-L103 HydrophobicContact CG2-CG 4.04Å
86	A	92.1	Very high	89.5	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.9	178.9	0	0	0	0	0	110.4	T70 A73 I84 R101 L102	T70-A86 HydrophobicContact CG2-CB 4.33Å; A73-A86 HydrophobicContact CB-CB 4.06Å; I84-A86 HydrophobicContact CD1-CB 4.48Å; A86-R101 CarbonylContact O-C 3.55Å; A86-R101 WeakPolarHBondContact O-CA 3.28Å; A86-L102 HydrophobicContact CB-CD1 4.16Å; A86-L102 HydrophobicContact CB-CD2 4.32Å; A86-L102 HydrophobicContact CB-CG 4.05Å; A86-L102 PolarHBondContact N-O 3.07Å; A86-L102 PolarHBondContact O-N 3.19Å
87	D	93.7	Very high	89.8	Confident	38 Å²	38	55 Å²	55	20%	0.203	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144	161.3	-58.1	-39.7	0	0	0	107.8	T70 T71 N72 R101	T70-D87 CarbonylContact C-O 3.58Å; T70-D87 VanDerWaalsContact CA-O 3.25Å; T70-D87 WeakPolarHBondContact CA-O 3.32Å; T71-D87 PolarHBondContact N-O 3.15Å; T71-D87 PolarHBondContact O-N 3.06Å; N72-D87 PolarHBondContact ND2-OD2 2.82Å; D87-R101 IonicContact OD1-CZ 2.75Å; D87-R101 IonicContact OD1-NE 2.71Å; D87-R101 PolarHBondContact OD1-NE 2.97Å; D87-R101 IonicContact OD1-NH2 3.21Å; D87-R101 PolarHBondContact OD1-NH2 3.12Å
88	F	91.3	Very high	90.1	Very high	45 Å²	45	55.7 Å²	55.7	20%	0.197	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.3	173.4	75.3	-85.5	0	0	0	111.6	T69 T70 V98 K99 G100 L102 V117	T69-F88 CarbonylContact O-C 3.59Å; T69-F88 VanDerWaalsContact O-CA 3.27Å; T69-F88 WeakPolarHBondContact O-CA 3.24Å; T70-F88 HydrophobicContact CG2-CB 4.26Å; F88-V98 HydrophobicContact CE2-CG1 4.34Å; F88-K99 VanDerWaalsContact O-CA 3.31Å; F88-K99 WeakPolarHBondContact O-CA 3.16Å; F88-G100 VanDerWaalsContact CD1-O 3.28Å; F88-G100 WeakPolarHBondContact CD1-O 3.42Å; F88-G100 PolarHBondContact N-O 2.88Å; F88-G100 PolarHBondContact O-N 2.9Å; F88-L102 HydrophobicContact CB-CD2 4.21Å; F88-L102 HydrophobicContact CD1-CB 4.41Å; F88-L102 HydrophobicContact CD1-CD2 4.37Å; F88-V117 HydrophobicContact CE1-CG1 3.75Å; F88-V117 HydrophobicContact CZ-CG1 3.76Å
89	S	93.1	Very high	90.7	Very high	23 Å²	23	59.4 Å²	59.4	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.1	171	-169.4	0	0	0	0	107.9	G68 T69 T97 V98	G68-S89 CarbonylContact C-O 3.57Å; T69-S89 PolarHBondContact N-O 3.06Å; T69-S89 PolarHBondContact O-N 3.4Å; T69-S89 PolarHBondContact OG1-O 2.83Å; T69-S89 VanDerWaalsContact OG1-O 3.13Å; S89-T97 WeakPolarHBondContact OG-CG2 3.26Å; S89-V98 CarbonylContact C-O 3.49Å; S89-V98 WeakPolarHBondContact CA-O 3.39Å
90	S	91.9	Very high	91.1	Very high	14 Å²	14	57 Å²	57	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.9	-178.7	-154.6	0	0	0	0	108.9	S66 V67 T92 T97 V98	S66-S90 VanDerWaalsContact CB-OG 3.28Å; S66-S90 WeakPolarHBondContact CB-OG 3.33Å; S66-S90 PolarHBondContact OG-OG 3.34Å; V67-S90 WeakPolarHBondContact O-CA 3.42Å; S90-T92 PolarHBondContact O-N 3.21Å; S90-T97 WeakPolarHBondContact O-CA 3.48Å; S90-V98 PolarHBondContact N-O 3.35Å; S90-V98 PolarHBondContact O-N 3.35Å
91	E	95.7	Very high	91.6	Very high	104 Å²	104	59 Å²	59	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.4	173.3	-63.7	-57.1	150.5	0	0	107.9	S66 V67 T97	S66-E91 WeakPolarHBondContact CA-O 3.43Å; V67-E91 PolarHBondContact N-O 2.96Å; V67-E91 VanDerWaalsContact N-O 3.07Å; V67-E91 PolarHBondContact O-N 2.9Å; V67-E91 VanDerWaalsContact O-N 3.09Å; E91-T97 VanDerWaalsContact CD-OG1 3.23Å; E91-T97 WeakPolarHBondContact OE1-CG2 2.92Å; E91-T97 PolarHBondContact OE1-OG1 2.81Å; E91-T97 PolarHBondContact OE2-OG1 2.74Å
92	T	94.4	Very high	92	Very high	12 Å²	12	54.5 Å²	54.5	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.5	-176.3	75.6	0	0	0	0	110.9	T63 S90 K94 A95 G96 V98	T63-T92 WeakPolarHBondContact O-CB 3.22Å; S90-T92 PolarHBondContact O-N 3.21Å; T92-K94 VanDerWaalsContact C-N 3.3Å; T92-K94 PolarHBondContact O-N 3.49Å; T92-A95 WeakPolarHBondContact OG1-CA 3.42Å; T92-A95 WeakPolarHBondContact OG1-CB 3.5Å; T92-A95 PolarHBondContact OG1-N 2.68Å; T92-G96 WeakPolarHBondContact CB-O 3.43Å; T92-G96 PolarHBondContact N-O 2.63Å; T92-G96 PolarHBondContact O-N 2.99Å; T92-G96 PolarHBondContact OG1-N 2.92Å; T92-G96 PolarHBondContact OG1-O 3.26Å; T92-V98 HydrophobicContact CG2-CB 4.41Å; T92-V98 HydrophobicContact CG2-CG2 3.83Å
93	E	95.8	Very high	92.2	Very high	143 Å²	143	56.8 Å²	56.8	67%	0.668	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.5	-179.1	-73.9	173.1	159.9	0	0	114.2	K65	K65-E93 HydrophobicContact CB-CG 4.23Å; K65-E93 PolarHBondContact N-OE2 3.31Å; K65-E93 WeakPolarHBondContact O-CG 3.01Å; K65-E93 PolarHBondContact O-N 3.39Å
94	K	96	Very high	92.1	Very high	146 Å²	146	55.4 Å²	55.4	64%	0.635	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-29.9	-171.5	-51.9	174.6	-171	166.1	0	114.3	E61 T63 T92	E61-K94 PolarHBondContact O-NZ 3.11Å; T63-K94 WeakPolarHBondContact O-CA 3.33Å; T63-K94 WeakPolarHBondContact O-CB 3.28Å; T63-K94 PolarHBondContact O-N 2.93Å; T92-K94 VanDerWaalsContact C-N 3.3Å; T92-K94 PolarHBondContact O-N 3.49Å
95	A	93.8	Very high	91.6	Very high	61 Å²	61	60.1 Å²	60.1	50%	0.504	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-0.5	-174.1	0	0	0	0	0	113.5	T63 T92	T63-A95 HydrophobicContact CG2-CB 3.94Å; T92-A95 WeakPolarHBondContact OG1-CA 3.42Å; T92-A95 WeakPolarHBondContact OG1-CB 3.5Å; T92-A95 PolarHBondContact OG1-N 2.68Å
96	G	94.3	Very high	90.6	Very high	35 Å²	35	58.8 Å²	58.8	36%	0.361	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.1	-146.2	-172	0	0	0	0	0	111.3	T92 V98	T92-G96 WeakPolarHBondContact CB-O 3.43Å; T92-G96 PolarHBondContact N-O 2.63Å; T92-G96 PolarHBondContact O-N 2.99Å; T92-G96 PolarHBondContact OG1-N 2.92Å; T92-G96 PolarHBondContact OG1-O 3.26Å; G96-V98 PolarHBondContact O-N 3.32Å
97	T	94.9	Very high	89.4	Confident	67 Å²	67	60.4 Å²	60.4	41%	0.411	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.9	-177.6	-42.1	0	0	0	0	111.9	S89 S90 E91 K99	S89-T97 WeakPolarHBondContact OG-CG2 3.26Å; S90-T97 WeakPolarHBondContact O-CA 3.48Å; E91-T97 VanDerWaalsContact CD-OG1 3.23Å; E91-T97 WeakPolarHBondContact OE1-CG2 2.92Å; E91-T97 PolarHBondContact OE1-OG1 2.81Å; E91-T97 PolarHBondContact OE2-OG1 2.74Å; T97-K99 HydrophobicContact CG2-CD 4.44Å; T97-K99 HydrophobicContact CG2-CG 3.97Å
98	V	90.8	Very high	87.3	Confident	36 Å²	36	64.4 Å²	64.4	22%	0.218	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.5	169	177.7	0	0	0	0	108.9	F59 F88 S89 S90 T92 G96	F59-V98 HydrophobicContact CZ-CG1 4.06Å; F59-V98 HydrophobicContact CZ-CG2 4.27Å; F88-V98 HydrophobicContact CE2-CG1 4.34Å; S89-V98 CarbonylContact C-O 3.49Å; S89-V98 WeakPolarHBondContact CA-O 3.39Å; S90-V98 PolarHBondContact N-O 3.35Å; S90-V98 PolarHBondContact O-N 3.35Å; T92-V98 HydrophobicContact CG2-CB 4.41Å; T92-V98 HydrophobicContact CG2-CG2 3.83Å; G96-V98 PolarHBondContact O-N 3.32Å
99	K	91.9	Very high	85.1	Confident	157 Å²	157	67.5 Å²	67.5	68%	0.683	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.8	177.1	-59.8	-174.2	-179.5	179.9	0	110.8	F88 T97	F88-K99 VanDerWaalsContact O-CA 3.31Å; F88-K99 WeakPolarHBondContact O-CA 3.16Å; T97-K99 HydrophobicContact CG2-CD 4.44Å; T97-K99 HydrophobicContact CG2-CG 3.97Å
100	G	89.8	Confident	82.3	Confident	19 Å²	19	72.7 Å²	72.7	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-171.4	171.1	0	0	0	0	0	111.2	F88 Q118	F88-G100 VanDerWaalsContact CD1-O 3.28Å; F88-G100 WeakPolarHBondContact CD1-O 3.42Å; F88-G100 PolarHBondContact N-O 2.88Å; F88-G100 PolarHBondContact O-N 2.9Å; G100-Q118 CarbonylContact C-O 3.52Å; G100-Q118 VanDerWaalsContact CA-O 3.26Å; G100-Q118 WeakPolarHBondContact CA-O 3.19Å
101	R	91.8	Very high	79.6	Confident	130 Å²	130	74 Å²	74	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.4	174	174.1	176.4	-66.2	169.7	0.9	110	A86 D87 V117 Q118	A86-R101 CarbonylContact O-C 3.55Å; A86-R101 WeakPolarHBondContact O-CA 3.28Å; D87-R101 IonicContact OD1-CZ 2.75Å; D87-R101 IonicContact OD1-NE 2.71Å; D87-R101 PolarHBondContact OD1-NE 2.97Å; D87-R101 IonicContact OD1-NH2 3.21Å; D87-R101 PolarHBondContact OD1-NH2 3.12Å; R101-V117 CarbonylContact O-C 3.58Å; R101-V117 WeakPolarHBondContact O-CA 3.45Å; R101-Q118 HydrophobicContact CB-CB 4.19Å; R101-Q118 PolarHBondContact N-O 2.76Å; R101-Q118 PolarHBondContact O-N 2.89Å
102	L	89.6	Confident	76.8	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.3	174.1	70.8	91.8	0	0	0	111.6	F13 T70 I84 T85 A86 F88 H104 L115 S116	F13-L102 HydrophobicContact CE2-CD1 4Å; F13-L102 HydrophobicContact CE2-CD2 4.02Å; F13-L102 HydrophobicContact CZ-CD1 4.22Å; F13-L102 HydrophobicContact CZ-CD2 3.55Å; T70-L102 HydrophobicContact CG2-CD2 4.01Å; I84-L102 HydrophobicContact CG2-CD1 4.31Å; T85-L102 WeakPolarHBondContact CA-O 3.48Å; A86-L102 HydrophobicContact CB-CD1 4.16Å; A86-L102 HydrophobicContact CB-CD2 4.32Å; A86-L102 HydrophobicContact CB-CG 4.05Å; A86-L102 PolarHBondContact N-O 3.07Å; A86-L102 PolarHBondContact O-N 3.19Å; F88-L102 HydrophobicContact CB-CD2 4.21Å; F88-L102 HydrophobicContact CD1-CB 4.41Å; F88-L102 HydrophobicContact CD1-CD2 4.37Å; L102-H104 HydrophobicContact CD1-CB 4.48Å; L102-L115 HydrophobicContact CB-CD1 4.25Å; L102-S116 CarbonylContact C-O 3.59Å; L102-S116 VanDerWaalsContact CA-O 3.28Å; L102-S116 WeakPolarHBondContact CA-O 3.43Å
103	L	88.7	Confident	74.5	Confident	62 Å²	62	69.4 Å²	69.4	33%	0.325	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.6	159.9	172.2	137.2	0	0	0	107.2	I84 T85 S116	I84-L103 WeakPolarHBondContact O-CA 3.28Å; T85-L103 HydrophobicContact CG2-CB 4.02Å; T85-L103 HydrophobicContact CG2-CD1 3.62Å; T85-L103 HydrophobicContact CG2-CG 4.04Å; L103-S116 PolarHBondContact N-O 2.97Å; L103-S116 PolarHBondContact O-N 2.84Å
104	H	83.7	Confident	72.1	Confident	20 Å²	20	63.8 Å²	63.8	9%	0.093	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.8	173.6	177.4	126	0	0	0	109	I83 I84 L102 T113 V114 L115	I83-H104 CarbonylContact C-O 3.6Å; I83-H104 WeakPolarHBondContact CA-O 3.44Å; I84-H104 HydrophobicContact CG2-CB 3.59Å; I84-H104 PolarHBondContact N-O 3.13Å; I84-H104 PolarHBondContact O-N 2.94Å; L102-H104 HydrophobicContact CD1-CB 4.48Å; H104-T113 WeakPolarHBondContact CE1-CG2 3.33Å; H104-T113 PolarHBondContact CE1-OG1 2.95Å; H104-T113 VanDerWaalsContact ND1-CG2 3.29Å; H104-T113 WeakPolarHBondContact ND1-CG2 3.39Å; H104-T113 PolarHBondContact NE2-OG1 3.47Å; H104-T113 VanDerWaalsContact NE2-OG1 3.16Å; H104-V114 VanDerWaalsContact CA-O 3.28Å; H104-V114 WeakPolarHBondContact CA-O 3.34Å; H104-L115 HydrophobicContact CB-CD1 4.23Å
105	W	78.5	Confident	69.9	Low	101 Å²	101	57.3 Å²	57.3	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.2	170.4	61.6	-78.7	0	0	0	110.1	Y81 L82 I83 T113 V114	Y81-W105 AromaticContact CD1-CE3 3.89Å; Y81-W105 HydrophobicContact CD1-CE3 3.89Å; Y81-W105 HydrophobicContact CD1-CZ3 4.02Å; Y81-W105 HydrophobicContact CE1-CE3 4.22Å; Y81-W105 AromaticContact CE1-CZ3 3.85Å; Y81-W105 HydrophobicContact CE1-CZ3 3.85Å; L82-W105 CarbonylContact O-C 3.55Å; L82-W105 VanDerWaalsContact O-CA 3.25Å; L82-W105 WeakPolarHBondContact O-CA 3.25Å; I83-W105 HydrophobicContact CG1-CB 3.92Å; W105-T113 VanDerWaalsContact O-CA 3.29Å; W105-T113 WeakPolarHBondContact O-CA 3.19Å; W105-V114 HydrophobicContact CG-CB 4.5Å; W105-V114 HydrophobicContact CH2-CG2 4.48Å; W105-V114 HydrophobicContact CZ2-CB 4.2Å; W105-V114 HydrophobicContact CZ2-CG2 3.56Å; W105-V114 PolarHBondContact N-O 3.09Å; W105-V114 PolarHBondContact O-N 2.78Å; W105-V114 VanDerWaalsContact O-N 3.16Å
106	G	71.2	Confident	67.4	Low	9 Å²	9	55.3 Å²	55.3	9%	0.093	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.1	-177.3	0	0	0	0	0	111.1	Y81 L82 G112	Y81-G106 CarbonylContact C-O 3.58Å; Y81-G106 WeakPolarHBondContact CA-O 3.31Å; L82-G106 PolarHBondContact N-O 2.77Å; L82-G106 PolarHBondContact O-N 2.9Å; G106-G112 WeakPolarHBondContact CA-O 3.27Å
107	N	66.8	Low	65.3	Low	38 Å²	38	55.1 Å²	55.1	20%	0.203	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.2	-179.3	-148.1	-12.6	0	0	0	109.8	D80 Y81 I109 H110 G111	D80-N107 VanDerWaalsContact C-OD1 3.28Å; D80-N107 WeakPolarHBondContact CB-OD1 3.43Å; D80-N107 CarbonylContact O-C 3.59Å; D80-N107 WeakPolarHBondContact O-CA 3.41Å; D80-N107 PolarHBondContact O-OD1 3.06Å; Y81-N107 HydrophobicContact CD1-CB 4.06Å; Y81-N107 HydrophobicContact CE1-CB 4.01Å; Y81-N107 VanDerWaalsContact CE1-CG 3.43Å; Y81-N107 WeakPolarHBondContact CE1-ND2 3.17Å; N107-I109 PolarHBondContact O-N 2.99Å; N107-I109 VanDerWaalsContact O-N 3.13Å; N107-H110 PolarHBondContact O-N 3.07Å; N107-G111 PolarHBondContact O-N 3.17Å
108	F	50.4	Low	62.7	Low	121 Å²	121	57.8 Å²	57.8	53%	0.531	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.5	-177.1	-105.5	-85.6	0	0	0	113.3	L8 D80 L82	L8-F108 HydrophobicContact CD1-CE1 3.51Å; L8-F108 HydrophobicContact CD1-CZ 3.35Å; D80-F108 PolarHBondContact O-N 3.01Å; L82-F108 HydrophobicContact CD1-CD2 3.92Å; L82-F108 HydrophobicContact CD1-CE1 4.5Å; L82-F108 HydrophobicContact CD1-CE2 3.55Å; L82-F108 HydrophobicContact CD1-CZ 3.88Å; L82-F108 HydrophobicContact CD2-CD2 4.3Å; L82-F108 HydrophobicContact CD2-CE2 3.57Å; L82-F108 HydrophobicContact CD2-CZ 4.3Å; L82-F108 HydrophobicContact CG-CD2 3.79Å; L82-F108 HydrophobicContact CG-CE2 3.51Å; L82-F108 HydrophobicContact CG-CZ 4.31Å
109	I	43.3	Very low	61.3	Low	111 Å²	111	58.9 Å²	58.9	57%	0.569	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-23.6	-169.5	-43.2	-176.6	0	0	0	111.5	N107	N107-I109 PolarHBondContact O-N 2.99Å; N107-I109 VanDerWaalsContact O-N 3.13Å
110	H	34.2	Very low	59.7	Low	132 Å²	132	53.7 Å²	53.7	61%	0.611	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.3	10.8	-170.5	-65.1	96.5	0	0	0	115.9	H33 N107 G112	H33-H110 PolarHBondContact CD2-O 2.79Å; N107-H110 PolarHBondContact O-N 3.07Å; H110-G112 VanDerWaalsContact C-N 3.29Å; H110-G112 PolarHBondContact O-N 3.31Å
111	G	36.5	Very low	58	Low	42 Å²	42	55.6 Å²	55.6	43%	0.433	28%	0.28	S	S	.	.			trans	66.1	26.6	169.6	0	0	0	0	0	115.4	H33 N107 T113	H33-G111 WeakPolarHBondContact CB-O 3.32Å; H33-G111 PolarHBondContact N-O 2.71Å; N107-G111 PolarHBondContact O-N 3.17Å; G111-T113 PolarHBondContact O-N 2.72Å
112	G	36.2	Very low	56	Low	12 Å²	12	51.2 Å²	51.2	12%	0.124	27%	0.267	C	S	.	.			trans	-54.2	62.7	-177.5	0	0	0	0	0	119	G106 H110 V114	G106-G112 WeakPolarHBondContact CA-O 3.27Å; H110-G112 VanDerWaalsContact C-N 3.29Å; H110-G112 PolarHBondContact O-N 3.31Å; G112-V114 PolarHBondContact O-N 3.02Å
113	T	47	Very low	53.9	Low	7 Å²	7	53.9 Å²	53.9	4%	0.043	28%	0.281	C	S	.	.			trans	-71.2	125.2	-177.9	-63.4	0	0	0	0	115	Y31 Y32 G36 H104 W105 G111	Y31-T113 PolarHBondContact O-OG1 2.86Å; Y32-T113 HydrophobicContact CD1-CG2 3.65Å; Y32-T113 HydrophobicContact CE1-CG2 3.96Å; G36-T113 WeakPolarHBondContact CA-O 3.25Å; H104-T113 WeakPolarHBondContact CE1-CG2 3.33Å; H104-T113 PolarHBondContact CE1-OG1 2.95Å; H104-T113 VanDerWaalsContact ND1-CG2 3.29Å; H104-T113 WeakPolarHBondContact ND1-CG2 3.39Å; H104-T113 PolarHBondContact NE2-OG1 3.47Å; H104-T113 VanDerWaalsContact NE2-OG1 3.16Å; W105-T113 VanDerWaalsContact O-CA 3.29Å; W105-T113 WeakPolarHBondContact O-CA 3.19Å; G111-T113 PolarHBondContact O-N 2.72Å
114	V	45.1	Very low	51.6	Low	24 Å²	24	53.3 Å²	53.3	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.7	153.9	169.3	0	0	0	0	108.5	V37 H104 W105 G112	V37-V114 HydrophobicContact CB-CG2 4.45Å; V37-V114 WeakPolarHBondContact O-CA 3.38Å; V37-V114 VanDerWaalsContact O-CG1 3.32Å; V37-V114 WeakPolarHBondContact O-CG1 3.4Å; H104-V114 VanDerWaalsContact CA-O 3.28Å; H104-V114 WeakPolarHBondContact CA-O 3.34Å; W105-V114 HydrophobicContact CG-CB 4.5Å; W105-V114 HydrophobicContact CH2-CG2 4.48Å; W105-V114 HydrophobicContact CZ2-CB 4.2Å; W105-V114 HydrophobicContact CZ2-CG2 3.56Å; W105-V114 PolarHBondContact N-O 3.09Å; W105-V114 PolarHBondContact O-N 2.78Å; W105-V114 VanDerWaalsContact O-N 3.16Å; G112-V114 PolarHBondContact O-N 3.02Å
115	L	49.4	Very low	49.3	Very low	11 Å²	11	55.7 Å²	55.7	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.7	172.7	-175.9	77.3	0	0	0	108.4	V37 L38 V39 L102 H104 V117	V37-L115 PolarHBondContact O-N 3.37Å; L38-L115 CarbonylContact C-O 3.52Å; L38-L115 WeakPolarHBondContact CA-O 3.48Å; L38-L115 HydrophobicContact CD1-CD2 4.05Å; L38-L115 HydrophobicContact CG-CB 4.47Å; V39-L115 PolarHBondContact N-O 3.47Å; L102-L115 HydrophobicContact CB-CD1 4.25Å; H104-L115 HydrophobicContact CB-CD1 4.23Å; L115-V117 HydrophobicContact CD2-CG2 4.14Å; L115-V117 HydrophobicContact CG-CG2 4.26Å
116	S	41.2	Very low	47.1	Very low	19 Å²	19	52.2 Å²	52.2	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.6	168.8	173.4	0	0	0	0	109	V39 L102 L103	V39-S116 CarbonylContact O-C 3.58Å; V39-S116 WeakPolarHBondContact O-CA 3.44Å; L102-S116 CarbonylContact C-O 3.59Å; L102-S116 VanDerWaalsContact CA-O 3.28Å; L102-S116 WeakPolarHBondContact CA-O 3.43Å; L103-S116 PolarHBondContact N-O 2.97Å; L103-S116 PolarHBondContact O-N 2.84Å
117	V	49.4	Very low	45.1	Very low	30 Å²	30	55.8 Å²	55.8	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.5	169.2	178.6	0	0	0	0	108.1	V39 K41 F88 R101 L115	V39-V117 PolarHBondContact O-N 2.91Å; K41-V117 WeakPolarHBondContact CB-O 3.15Å; K41-V117 PolarHBondContact N-O 3.5Å; F88-V117 HydrophobicContact CE1-CG1 3.75Å; F88-V117 HydrophobicContact CZ-CG1 3.76Å; R101-V117 CarbonylContact O-C 3.58Å; R101-V117 WeakPolarHBondContact O-CA 3.45Å; L115-V117 HydrophobicContact CD2-CG2 4.14Å; L115-V117 HydrophobicContact CG-CG2 4.26Å
118	Q	41.3	Very low	43.1	Very low	123 Å²	123	57.5 Å²	57.5	58%	0.575	31%	0.309	S	S	*	.			trans	-108.3	0	176.7	-61.4	-168.2	-6.1	0	0	111.6	K41 G100 R101	K41-Q118 HydrophobicContact CD-CB 4.43Å; K41-Q118 HydrophobicContact CD-CG 3.95Å; G100-Q118 CarbonylContact C-O 3.52Å; G100-Q118 VanDerWaalsContact CA-O 3.26Å; G100-Q118 WeakPolarHBondContact CA-O 3.19Å; R101-Q118 HydrophobicContact CB-CB 4.19Å; R101-Q118 PolarHBondContact N-O 2.76Å; R101-Q118 PolarHBondContact O-N 2.89Å

Retrieved 118 of 118 residues in 54.3 ms (Link to these results)

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