A0A087YP46_POEFO Loading...

Small nuclear ribonucleoprotein Sm D3

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome. Component of both the pre-catalytic spliceosome B complex and activated spliceosome C complexes. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs. As part of the U7 snRNP it is involved in histone pre-mRNA 3'-end processing.

AlphaFold DB (A0A6P7P1G8), UniProt , Accession A0A087YP46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 127 aa.

						>A0A087YP46_POEFO|A0A087YP46
MSIGVPIKVLHEAEGHIVTCETNTGEVYRGKLIEAEDNMNCQMSNITVTYRDGRVAQLEQVYIRGSKIRFLILPDMLKNAPMLKSMKNKNQGSGAGRGKAAILKAQVAARGRGRGGIGRGNIFQKRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	54.3	Low	87.8	Confident	244 Å²	244	73.3 Å²	73.3	100%	1.202	42%	0.416	S	S	*	.				0	117.7	0	-146.4	176.4	-73.5	0	0	107
2	S	75.8	Confident	88.4	Confident	118 Å²	118	72.5 Å²	72.5	83%	0.825	41%	0.407	S	S	*	.			trans	-90.7	112.6	-177.9	59.8	0	0	0	0	110	G4	S2-G4 PolarHBondContact O-N 3.36Å
3	I	83.3	Confident	89.1	Confident	74 Å²	74	66.9 Å²	66.9	38%	0.379	38%	0.375	S	S	.	.			trans	-56.5	130.4	172.4	-68.3	170.4	0	0	0	109.4	I7 K8 D37	I3-I7 HydrophobicContact CG2-CB 3.71Å; I3-I7 HydrophobicContact CG2-CG2 3.7Å; I3-K8 HydrophobicContact CG2-CG 3.75Å; I3-K8 WeakPolarHBondContact O-CE 3.49Å; I3-D37 WeakPolarHBondContact CD1-OD1 3.44Å
4	G	90.4	Very high	89.8	Confident	38 Å²	38	67 Å²	67	39%	0.392	37%	0.371	S	S	.	.			trans	-64.2	146.6	179.4	0	0	0	0	0	112	S2 P6 I7 K8	S2-G4 PolarHBondContact O-N 3.36Å; G4-P6 VanDerWaalsContact C-CD 3.41Å; G4-P6 VanDerWaalsContact C-N 3.29Å; G4-I7 PolarHBondContact O-N 2.72Å; G4-I7 VanDerWaalsContact O-N 3.09Å; G4-K8 PolarHBondContact O-N 3Å
5	V	91.6	Very high	90.3	Very high	31 Å²	31	65.4 Å²	65.4	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-50.5	-42.5	178.2	174.4	0	0	0	0	112.8	I7 K8 V9 M82 M86	V5-I7 PolarHBondContact O-N 2.9Å; V5-K8 WeakPolarHBondContact O-CB 3.36Å; V5-K8 PolarHBondContact O-N 3.44Å; V5-V9 WeakPolarHBondContact O-CG2 3.34Å; V5-V9 PolarHBondContact O-N 3.17Å; V5-V9 VanDerWaalsContact O-N 3.12Å; V5-M82 HydrophobicContact CG1-CB 4.19Å; V5-M86 HydrophobicContact CB-CE 4.01Å; V5-M86 HydrophobicContact CG1-CE 4.35Å; V5-M86 HydrophobicContact CG1-SD 4.47Å; V5-M86 HydrophobicContact CG2-CE 4.27Å
6	P	93.9	Very high	90.8	Very high	93 Å²	93	65.3 Å²	65.3	60%	0.604	37%	0.371	S	S	*	.	H	α-helix	trans	-60.7	-39.2	178.3	-26	36.5	0	0	0	114.3	G4 K8 V9 L10	G4-P6 VanDerWaalsContact C-CD 3.41Å; G4-P6 VanDerWaalsContact C-N 3.29Å; P6-K8 VanDerWaalsContact C-N 3.34Å; P6-K8 PolarHBondContact O-N 3.38Å; P6-V9 PolarHBondContact O-N 2.97Å; P6-L10 PolarHBondContact O-N 2.82Å
7	I	95.3	Very high	91.3	Very high	30 Å²	30	66.8 Å²	66.8	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-67.1	-38	178.8	-58	-57.4	0	0	0	110.6	I3 G4 V5 V9 L10 H11 M39	I3-I7 HydrophobicContact CG2-CB 3.71Å; I3-I7 HydrophobicContact CG2-CG2 3.7Å; G4-I7 PolarHBondContact O-N 2.72Å; G4-I7 VanDerWaalsContact O-N 3.09Å; V5-I7 PolarHBondContact O-N 2.9Å; I7-V9 VanDerWaalsContact C-N 3.33Å; I7-V9 PolarHBondContact O-N 2.88Å; I7-L10 WeakPolarHBondContact O-CB 3.28Å; I7-L10 PolarHBondContact O-N 3.09Å; I7-L10 VanDerWaalsContact O-N 3.17Å; I7-H11 PolarHBondContact O-CD2 2.87Å; I7-H11 PolarHBondContact O-N 2.73Å; I7-M39 HydrophobicContact CD1-CG 3.68Å; I7-M39 HydrophobicContact CD1-SD 4.23Å
8	K	93.9	Very high	91.7	Very high	85 Å²	85	63.1 Å²	63.1	37%	0.37	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-42.5	173.6	-60.9	-175.6	178.8	-175.8	0	112.3	I3 G4 V5 P6 L10 H11 E12 M82	I3-K8 HydrophobicContact CG2-CG 3.75Å; I3-K8 WeakPolarHBondContact O-CE 3.49Å; G4-K8 PolarHBondContact O-N 3Å; V5-K8 WeakPolarHBondContact O-CB 3.36Å; V5-K8 PolarHBondContact O-N 3.44Å; P6-K8 VanDerWaalsContact C-N 3.34Å; P6-K8 PolarHBondContact O-N 3.38Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 2.98Å; K8-H11 PolarHBondContact O-N 2.92Å; K8-E12 PolarHBondContact O-N 3Å; K8-E12 VanDerWaalsContact O-N 3.1Å; K8-M82 HydrophobicContact CB-CG 4.21Å; K8-M82 HydrophobicContact CD-SD 3.9Å
9	V	94.7	Very high	92.1	Very high	22 Å²	22	60.6 Å²	60.6	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-34.1	177.1	176.2	0	0	0	0	111.1	V5 P6 I7 E12 A13 L73 L77 M82	V5-V9 WeakPolarHBondContact O-CG2 3.34Å; V5-V9 PolarHBondContact O-N 3.17Å; V5-V9 VanDerWaalsContact O-N 3.12Å; P6-V9 PolarHBondContact O-N 2.97Å; I7-V9 VanDerWaalsContact C-N 3.33Å; I7-V9 PolarHBondContact O-N 2.88Å; V9-E12 PolarHBondContact O-N 3.09Å; V9-A13 PolarHBondContact O-N 2.93Å; V9-L73 HydrophobicContact CG1-CD1 3.96Å; V9-L77 HydrophobicContact CG1-CB 4.47Å; V9-L77 HydrophobicContact CG1-CD1 4.4Å; V9-M82 HydrophobicContact CG2-CB 4.2Å
10	L	96.4	Very high	92.4	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-44.2	174.1	-179.4	59.6	0	0	0	111.7	P6 I7 K8 E12 A13 L32 A35 M39 L71 L73	P6-L10 PolarHBondContact O-N 2.82Å; I7-L10 WeakPolarHBondContact O-CB 3.28Å; I7-L10 PolarHBondContact O-N 3.09Å; I7-L10 VanDerWaalsContact O-N 3.17Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 2.98Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E12 PolarHBondContact O-N 3.12Å; L10-A13 VanDerWaalsContact O-CB 3.31Å; L10-A13 WeakPolarHBondContact O-CB 3.48Å; L10-A13 PolarHBondContact O-N 2.79Å; L10-L32 HydrophobicContact CD1-CD2 4.07Å; L10-A35 HydrophobicContact CD1-CB 4.37Å; L10-A35 HydrophobicContact CD2-CB 4Å; L10-A35 HydrophobicContact CG-CB 3.71Å; L10-M39 HydrophobicContact CD2-CB 4.49Å; L10-M39 HydrophobicContact CD2-CG 4.2Å; L10-L71 HydrophobicContact CD1-CD1 3.93Å; L10-L71 HydrophobicContact CD2-CD1 4.44Å; L10-L73 HydrophobicContact CD1-CD2 4.26Å
11	H	96.2	Very high	92.7	Very high	62 Å²	62	56.6 Å²	56.6	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-37.4	173.6	-71.3	-67.1	0	0	0	112.7	I7 K8 A13 E14 A35 D37	I7-H11 PolarHBondContact O-CD2 2.87Å; I7-H11 PolarHBondContact O-N 2.73Å; K8-H11 PolarHBondContact O-N 2.92Å; H11-A13 PolarHBondContact O-N 3.43Å; H11-E14 IonicContact CG-OE1 2.72Å; H11-E14 IonicContact ND1-OE1 3.38Å; H11-E14 PolarHBondContact ND1-OE1 2.82Å; H11-E14 WeakPolarHBondContact O-CB 3.43Å; H11-E14 WeakPolarHBondContact O-CG 3.25Å; H11-E14 PolarHBondContact O-N 2.84Å; H11-E14 VanDerWaalsContact O-N 3.11Å; H11-A35 PolarHBondContact CE1-O 2.89Å; H11-A35 PolarHBondContact ND1-O 3.02Å; H11-A35 VanDerWaalsContact ND1-O 3.15Å; H11-D37 IonicContact NE2-OD1 2.73Å
12	E	95.4	Very high	94.8	Very high	64 Å²	64	45.3 Å²	45.3	30%	0.299	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-18.9	174.4	-71	-176.9	-172.2	0	0	113	K8 V9 L10 L77 A80 M82	K8-E12 PolarHBondContact O-N 3Å; K8-E12 VanDerWaalsContact O-N 3.1Å; V9-E12 PolarHBondContact O-N 3.09Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E12 PolarHBondContact O-N 3.12Å; E12-L77 HydrophobicContact CB-CD2 3.89Å; E12-A80 WeakPolarHBondContact OE2-CB 3.24Å; E12-M82 WeakPolarHBondContact OE1-CG 3.24Å
13	A	97.2	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.9	176.4	0	0	0	0	0	113.9	V9 L10 H11 H16 V18 L32 L73 L77	V9-A13 PolarHBondContact O-N 2.93Å; L10-A13 VanDerWaalsContact O-CB 3.31Å; L10-A13 WeakPolarHBondContact O-CB 3.48Å; L10-A13 PolarHBondContact O-N 2.79Å; H11-A13 PolarHBondContact O-N 3.43Å; A13-H16 WeakPolarHBondContact O-CB 3.48Å; A13-H16 PolarHBondContact O-N 2.91Å; A13-H16 VanDerWaalsContact O-N 3.1Å; A13-H16 PolarHBondContact O-ND1 2.92Å; A13-V18 HydrophobicContact CB-CG1 4.26Å; A13-L32 HydrophobicContact CB-CD2 4.11Å; A13-L73 HydrophobicContact CB-CB 4.46Å; A13-L73 HydrophobicContact CB-CD1 4.14Å; A13-L73 HydrophobicContact CB-CD2 3.76Å; A13-L73 HydrophobicContact CB-CG 4.33Å; A13-L77 HydrophobicContact CB-CD1 3.63Å
14	E	98.2	Very high	96.6	Very high	68 Å²	68	43 Å²	43	32%	0.318	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143	174.1	-70.1	172.9	-169.3	0	0	110.7	H11 H16 L32 A35	H11-E14 IonicContact CG-OE1 2.72Å; H11-E14 IonicContact ND1-OE1 3.38Å; H11-E14 PolarHBondContact ND1-OE1 2.82Å; H11-E14 WeakPolarHBondContact O-CB 3.43Å; H11-E14 WeakPolarHBondContact O-CG 3.25Å; H11-E14 PolarHBondContact O-N 2.84Å; H11-E14 VanDerWaalsContact O-N 3.11Å; E14-H16 PolarHBondContact O-N 2.83Å; E14-H16 PolarHBondContact O-ND1 2.84Å; E14-L32 HydrophobicContact CG-CD2 4.31Å; E14-L32 HydrophobicContact CG-CG 4.38Å; E14-A35 HydrophobicContact CG-CB 4.43Å; E14-A35 PolarHBondContact OE1-N 3.38Å
15	G	98	Very high	96.9	Very high	43 Å²	43	42 Å²	42	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-8.6	-174.1	0	0	0	0	0	115.4	K31 L32	G15-K31 WeakPolarHBondContact O-CE 3.37Å; G15-L32 WeakPolarHBondContact CA-O 3.18Å; G15-L32 PolarHBondContact N-O 3.1Å
16	H	98.4	Very high	97.2	Very high	64 Å²	64	42.4 Å²	42.4	30%	0.296	23%	0.234	S	C	.	.	S	Bend	trans	-103.1	163.6	-178.3	-59.7	82.7	0	0	0	113.3	A13 E14 V18 K31 L32 P74	A13-H16 WeakPolarHBondContact O-CB 3.48Å; A13-H16 PolarHBondContact O-N 2.91Å; A13-H16 VanDerWaalsContact O-N 3.1Å; A13-H16 PolarHBondContact O-ND1 2.92Å; E14-H16 PolarHBondContact O-N 2.83Å; E14-H16 PolarHBondContact O-ND1 2.84Å; H16-V18 PolarHBondContact O-N 2.89Å; H16-K31 CarbonylContact O-C 3.51Å; H16-K31 WeakPolarHBondContact O-CA 3.38Å; H16-L32 PolarHBondContact O-N 2.88Å; H16-P74 HydrophobicContact CB-CG 3.47Å; H16-P74 VanDerWaalsContact CB-CG 3.47Å
17	I	98.5	Very high	97.5	Very high	90 Å²	90	39.9 Å²	39.9	46%	0.462	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.2	170.5	-54.2	-55.6	0	0	0	109.2	R29 G30 K31	I17-R29 HydrophobicContact CG2-CG 4.16Å; I17-G30 WeakPolarHBondContact CA-O 3.11Å; I17-K31 HydrophobicContact CD1-CB 4.04Å
18	V	98.7	Very high	97.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	160.8	176.3	-56.1	0	0	0	0	109.9	A13 H16 R29 G30 L32 M43 L71 I72 L73	A13-V18 HydrophobicContact CB-CG1 4.26Å; H16-V18 PolarHBondContact O-N 2.89Å; V18-R29 WeakPolarHBondContact O-CA 3.34Å; V18-G30 PolarHBondContact N-O 2.82Å; V18-G30 PolarHBondContact O-N 2.63Å; V18-G30 VanDerWaalsContact O-N 3.12Å; V18-L32 HydrophobicContact CG1-CB 4Å; V18-L32 HydrophobicContact CG1-CD2 4.3Å; V18-L32 HydrophobicContact CG2-CB 3.81Å; V18-M43 HydrophobicContact CG2-CE 3.59Å; V18-M43 HydrophobicContact CG2-SD 4.39Å; V18-L71 HydrophobicContact CG2-CD2 4.42Å; V18-I72 WeakPolarHBondContact CA-O 3.35Å; V18-L73 HydrophobicContact CB-CD2 4.32Å; V18-L73 HydrophobicContact CG1-CD2 3.78Å
19	T	98.8	Very high	97.9	Very high	15 Å²	15	43.1 Å²	43.1	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.1	169.9	-51.3	0	0	0	0	108.8	V27 Y28 R29 L71 I72	T19-V27 HydrophobicContact CG2-CG1 3.4Å; T19-V27 VanDerWaalsContact CG2-CG1 3.4Å; T19-Y28 CarbonylContact C-O 3.57Å; T19-Y28 WeakPolarHBondContact CA-O 3.42Å; T19-R29 HydrophobicContact CG2-CB 4.43Å; T19-R29 PolarHBondContact OG1-NH1 3.27Å; T19-R29 VanDerWaalsContact OG1-NH1 3.09Å; T19-L71 CarbonylContact O-C 3.51Å; T19-L71 VanDerWaalsContact O-CA 3.28Å; T19-L71 WeakPolarHBondContact O-CA 3.07Å; T19-I72 HydrophobicContact CG2-CD1 4.41Å; T19-I72 PolarHBondContact N-O 3.44Å; T19-I72 PolarHBondContact O-N 2.81Å
20	C	98.7	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.3	179.6	175.8	0	0	0	0	109.2	V27 Y28 M43 I63 L71	C20-V27 WeakPolarHBondContact O-CA 3.39Å; C20-Y28 PolarHBondContact N-O 3.1Å; C20-Y28 PolarHBondContact O-N 2.85Å; C20-M43 HydrophobicContact CB-SD 4.22Å; C20-I63 HydrophobicContact CB-CD1 4.47Å; C20-L71 HydrophobicContact CB-CD2 3.78Å; C20-L71 HydrophobicContact CB-CG 4.5Å
21	E	98.8	Very high	98.2	Very high	38 Å²	38	45.8 Å²	45.8	18%	0.178	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	169.4	-171.6	175.6	117.5	0	0	109.7	E26 V27 R69 F70	E21-E26 WeakPolarHBondContact CA-O 3.48Å; E21-V27 HydrophobicContact CB-CG2 4.48Å; E21-V27 HydrophobicContact CG-CG2 4.13Å; E21-R69 WeakPolarHBondContact O-CB 3.47Å; E21-R69 PolarHBondContact O-N 3.24Å; E21-R69 WeakPolarHBondContact OE1-CD 3.49Å; E21-R69 IonicContact OE1-CZ 3.53Å; E21-R69 IonicContact OE1-NE 3.14Å; E21-R69 IonicContact OE1-NH1 3.07Å; E21-R69 PolarHBondContact OE1-NH1 2.86Å; E21-F70 HydrophobicContact CB-CD1 4.13Å; E21-F70 HydrophobicContact CB-CD2 4.37Å; E21-F70 HydrophobicContact CB-CE1 3.68Å; E21-F70 HydrophobicContact CB-CE2 3.94Å; E21-F70 HydrophobicContact CB-CG 4.45Å; E21-F70 HydrophobicContact CB-CZ 3.57Å; E21-F70 HydrophobicContact CG-CE1 4.04Å; E21-F70 HydrophobicContact CG-CZ 4.17Å; E21-F70 PolarHBondContact N-O 2.85Å; E21-F70 PolarHBondContact O-N 3.14Å; E21-F70 WeakPolarHBondContact OE1-CE1 3.39Å; E21-F70 WeakPolarHBondContact OE2-CE1 3.5Å; E21-F70 WeakPolarHBondContact OE2-CZ 3.19Å
22	T	98.6	Very high	98.3	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	165.6	176.7	60.9	0	0	0	0	111.5	T24 G25 E26 Y28 I63 K67	T22-T24 PolarHBondContact O-N 2.58Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T22-T24 PolarHBondContact OG1-N 2.82Å; T22-T24 PolarHBondContact OG1-OG1 3.14Å; T22-T24 VanDerWaalsContact OG1-OG1 3.11Å; T22-G25 PolarHBondContact O-N 3.29Å; T22-G25 PolarHBondContact OG1-N 2.99Å; T22-E26 PolarHBondContact N-O 2.67Å; T22-E26 PolarHBondContact OG1-N 3.11Å; T22-E26 VanDerWaalsContact OG1-N 3.11Å; T22-E26 PolarHBondContact OG1-O 3.11Å; T22-E26 PolarHBondContact OG1-OE2 2.77Å; T22-Y28 HydrophobicContact CG2-CD2 3.99Å; T22-Y28 HydrophobicContact CG2-CE2 3.56Å; T22-I63 HydrophobicContact CG2-CG2 4.44Å; T22-K67 CarbonylContact C-O 3.43Å; T22-K67 WeakPolarHBondContact CA-O 3.38Å; T22-K67 WeakPolarHBondContact CB-O 3.43Å
23	N	98.6	Very high	98.4	Very high	79 Å²	79	42.9 Å²	42.9	42%	0.422	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	170.9	-73.5	-25	0	0	0	112.5	G25 S66 K67 R69	N23-G25 VanDerWaalsContact C-N 3.34Å; N23-S66 PolarHBondContact ND2-O 3.49Å; N23-K67 PolarHBondContact N-O 3.02Å; N23-R69 PolarHBondContact O-NH2 3.49Å
24	T	97.4	Very high	98.5	Very high	65 Å²	65	47.7 Å²	47.7	40%	0.399	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.7	173.6	41.9	0	0	0	0	112.4	T22 E26 R51	T22-T24 PolarHBondContact O-N 2.58Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T22-T24 PolarHBondContact OG1-N 2.82Å; T22-T24 PolarHBondContact OG1-OG1 3.14Å; T22-T24 VanDerWaalsContact OG1-OG1 3.11Å; T24-E26 WeakPolarHBondContact CB-OE2 3.28Å; T24-E26 PolarHBondContact O-N 2.8Å; T24-E26 VanDerWaalsContact O-N 3.14Å; T24-E26 PolarHBondContact OG1-OE2 2.5Å; T24-R51 VanDerWaalsContact CB-NH2 3.25Å; T24-R51 WeakPolarHBondContact O-CD 3.4Å; T24-R51 PolarHBondContact O-NE 2.86Å; T24-R51 PolarHBondContact O-NH2 3.17Å
25	G	97.9	Very high	98.5	Very high	17 Å²	17	44.6 Å²	44.6	18%	0.175	23%	0.232	C	C	.	.			trans	69.1	10.1	168.6	0	0	0	0	0	115.9	T22 N23	T22-G25 PolarHBondContact O-N 3.29Å; T22-G25 PolarHBondContact OG1-N 2.99Å; N23-G25 VanDerWaalsContact C-N 3.34Å
26	E	98.2	Very high	98.5	Very high	38 Å²	38	45.3 Å²	45.3	18%	0.178	22%	0.223	C	C	.	.			trans	-75.1	140	163.7	-56	82.4	-164.8	0	0	109.1	E21 T22 T24 Y28 V48 T49 Y50	E21-E26 WeakPolarHBondContact CA-O 3.48Å; T22-E26 PolarHBondContact N-O 2.67Å; T22-E26 PolarHBondContact OG1-N 3.11Å; T22-E26 VanDerWaalsContact OG1-N 3.11Å; T22-E26 PolarHBondContact OG1-O 3.11Å; T22-E26 PolarHBondContact OG1-OE2 2.77Å; T24-E26 WeakPolarHBondContact CB-OE2 3.28Å; T24-E26 PolarHBondContact O-N 2.8Å; T24-E26 VanDerWaalsContact O-N 3.14Å; T24-E26 PolarHBondContact OG1-OE2 2.5Å; E26-Y28 HydrophobicContact CB-CD2 4.46Å; E26-Y28 HydrophobicContact CB-CE2 3.68Å; E26-V48 HydrophobicContact CB-CG2 4.49Å; E26-T49 WeakPolarHBondContact CA-O 3.14Å; E26-Y50 HydrophobicContact CG-CD1 3.96Å
27	V	98.8	Very high	98.4	Very high	40 Å²	40	46.9 Å²	46.9	24%	0.242	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.3	-175.7	-178.6	0	0	0	0	109.3	T19 C20 E21 V48 T49	T19-V27 HydrophobicContact CG2-CG1 3.4Å; T19-V27 VanDerWaalsContact CG2-CG1 3.4Å; C20-V27 WeakPolarHBondContact O-CA 3.39Å; E21-V27 HydrophobicContact CB-CG2 4.48Å; E21-V27 HydrophobicContact CG-CG2 4.13Å; V27-V48 CarbonylContact O-C 3.49Å; V27-V48 VanDerWaalsContact O-CA 3.28Å; V27-V48 WeakPolarHBondContact O-CA 3.34Å; V27-T49 PolarHBondContact N-O 2.91Å; V27-T49 PolarHBondContact O-N 2.8Å
28	Y	98.8	Very high	98.4	Very high	41 Å²	41	46.7 Å²	46.7	16%	0.161	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115	-179.6	-63.5	-97.7	0	0	0	109.3	T19 C20 T22 E26 I46 V48 L58 V61 I63	T19-Y28 CarbonylContact C-O 3.57Å; T19-Y28 WeakPolarHBondContact CA-O 3.42Å; C20-Y28 PolarHBondContact N-O 3.1Å; C20-Y28 PolarHBondContact O-N 2.85Å; T22-Y28 HydrophobicContact CG2-CD2 3.99Å; T22-Y28 HydrophobicContact CG2-CE2 3.56Å; E26-Y28 HydrophobicContact CB-CD2 4.46Å; E26-Y28 HydrophobicContact CB-CE2 3.68Å; Y28-I46 HydrophobicContact CD1-CG2 4Å; Y28-I46 HydrophobicContact CG-CG2 4.43Å; Y28-V48 HydrophobicContact CD1-CB 3.88Å; Y28-V48 HydrophobicContact CD1-CG2 3.72Å; Y28-V48 HydrophobicContact CD2-CG2 4.4Å; Y28-V48 HydrophobicContact CE1-CB 3.96Å; Y28-V48 HydrophobicContact CE1-CG2 3.49Å; Y28-V48 VanDerWaalsContact CE1-CG2 3.49Å; Y28-V48 HydrophobicContact CE2-CG2 4.2Å; Y28-V48 HydrophobicContact CG-CG2 4.18Å; Y28-L58 HydrophobicContact CE1-CD1 4.24Å; Y28-V61 HydrophobicContact CD1-CG2 4.5Å; Y28-I63 HydrophobicContact CD1-CD1 4.22Å; Y28-I63 HydrophobicContact CD2-CD1 3.84Å; Y28-I63 HydrophobicContact CE2-CD1 4.32Å; Y28-I63 HydrophobicContact CG-CD1 3.79Å
29	R	98.8	Very high	98.3	Very high	142 Å²	142	49.7 Å²	49.7	54%	0.536	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.2	175.1	-177.7	178.9	177.8	86.5	-1.7	109.9	I17 V18 T19 I46 T47	I17-R29 HydrophobicContact CG2-CG 4.16Å; V18-R29 WeakPolarHBondContact O-CA 3.34Å; T19-R29 HydrophobicContact CG2-CB 4.43Å; T19-R29 PolarHBondContact OG1-NH1 3.27Å; T19-R29 VanDerWaalsContact OG1-NH1 3.09Å; R29-I46 CarbonylContact O-C 3.54Å; R29-I46 VanDerWaalsContact O-CA 3.3Å; R29-I46 WeakPolarHBondContact O-CA 3.3Å; R29-T47 PolarHBondContact N-O 3.18Å; R29-T47 PolarHBondContact O-N 3.3Å
30	G	98.8	Very high	98.3	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-175.4	-177.1	0	0	0	0	0	112.1	I17 V18	I17-G30 WeakPolarHBondContact CA-O 3.11Å; V18-G30 PolarHBondContact N-O 2.82Å; V18-G30 PolarHBondContact O-N 2.63Å; V18-G30 VanDerWaalsContact O-N 3.12Å
31	K	98.8	Very high	98.3	Very high	85 Å²	85	49.7 Å²	49.7	37%	0.37	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.3	177.4	-172	177.9	-179.3	-177.7	0	109.6	G15 H16 I17 I33 M43 S44	G15-K31 WeakPolarHBondContact O-CE 3.37Å; H16-K31 CarbonylContact O-C 3.51Å; H16-K31 WeakPolarHBondContact O-CA 3.38Å; I17-K31 HydrophobicContact CD1-CB 4.04Å; K31-I33 HydrophobicContact CB-CD1 4.32Å; K31-I33 HydrophobicContact CD-CD1 3.9Å; K31-I33 HydrophobicContact CG-CD1 3.95Å; K31-I33 PolarHBondContact O-N 3.01Å; K31-M43 CarbonylContact O-C 3.56Å; K31-M43 WeakPolarHBondContact O-CA 3.22Å; K31-M43 WeakPolarHBondContact O-CB 3.06Å; K31-S44 PolarHBondContact N-O 3.07Å; K31-S44 PolarHBondContact O-N 3.44Å
32	L	98.8	Very high	98.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.9	168.4	-176.4	60.9	0	0	0	108.4	L10 A13 E14 G15 H16 V18 A35 C41 M43	L10-L32 HydrophobicContact CD1-CD2 4.07Å; A13-L32 HydrophobicContact CB-CD2 4.11Å; E14-L32 HydrophobicContact CG-CD2 4.31Å; E14-L32 HydrophobicContact CG-CG 4.38Å; G15-L32 WeakPolarHBondContact CA-O 3.18Å; G15-L32 PolarHBondContact N-O 3.1Å; H16-L32 PolarHBondContact O-N 2.88Å; V18-L32 HydrophobicContact CG1-CB 4Å; V18-L32 HydrophobicContact CG1-CD2 4.3Å; V18-L32 HydrophobicContact CG2-CB 3.81Å; L32-A35 HydrophobicContact CD2-CB 4.29Å; L32-C41 HydrophobicContact CD1-CB 3.97Å; L32-M43 HydrophobicContact CD1-CG 4.3Å
33	I	98.7	Very high	98.3	Very high	66 Å²	66	49.9 Å²	49.9	34%	0.338	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-45.8	-179	-56.4	-60.7	0	0	0	110.2	K31 Q42 S44	K31-I33 HydrophobicContact CB-CD1 4.32Å; K31-I33 HydrophobicContact CD-CD1 3.9Å; K31-I33 HydrophobicContact CG-CD1 3.95Å; K31-I33 PolarHBondContact O-N 3.01Å; I33-Q42 HydrophobicContact CB-CB 4.41Å; I33-Q42 HydrophobicContact CB-CG 4.22Å; I33-Q42 WeakPolarHBondContact CB-O 3.49Å; I33-Q42 PolarHBondContact N-O 3.17Å; I33-S44 VanDerWaalsContact CD1-OG 3.29Å; I33-S44 WeakPolarHBondContact CD1-OG 3.36Å
34	E	98.6	Very high	98.4	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	139.1	-178.9	-172.7	172.9	-174.4	0	0	109	C41 Q42	E34-C41 WeakPolarHBondContact O-CA 3.49Å; E34-Q42 HydrophobicContact CB-CB 4.18Å; E34-Q42 PolarHBondContact N-O 3.04Å; E34-Q42 PolarHBondContact O-N 3.11Å
35	A	98.3	Very high	98.4	Very high	4 Å²	4	50 Å²	50	3%	0.033	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.3	168.4	0	0	0	0	0	109.7	L10 H11 E14 L32 N40	L10-A35 HydrophobicContact CD1-CB 4.37Å; L10-A35 HydrophobicContact CD2-CB 4Å; L10-A35 HydrophobicContact CG-CB 3.71Å; H11-A35 PolarHBondContact CE1-O 2.89Å; H11-A35 PolarHBondContact ND1-O 3.02Å; H11-A35 VanDerWaalsContact ND1-O 3.15Å; E14-A35 HydrophobicContact CG-CB 4.43Å; E14-A35 PolarHBondContact OE1-N 3.38Å; L32-A35 HydrophobicContact CD2-CB 4.29Å; A35-N40 WeakPolarHBondContact CA-O 3.38Å
36	E	98.2	Very high	98.4	Very high	57 Å²	57	49.2 Å²	49.2	27%	0.266	24%	0.24	S	C	.	.			trans	-97.8	162.3	174.9	-69	173.9	-140.9	0	0	111.7	N38 M39 N40 Y62	E36-N38 VanDerWaalsContact CB-OD1 3.24Å; E36-N38 WeakPolarHBondContact CB-OD1 3.39Å; E36-N38 PolarHBondContact O-N 3.32Å; E36-N38 VanDerWaalsContact O-N 3.12Å; E36-N38 PolarHBondContact OE2-ND2 2.77Å; E36-N38 PolarHBondContact OE2-OD1 3.43Å; E36-M39 WeakPolarHBondContact O-CA 3.28Å; E36-M39 PolarHBondContact O-N 2.77Å; E36-N40 HydrophobicContact CB-CB 4.13Å; E36-N40 HydrophobicContact CG-CB 4.21Å; E36-N40 PolarHBondContact N-O 3.27Å; E36-N40 PolarHBondContact OE2-ND2 3.04Å; E36-Y62 PolarHBondContact OE1-OH 3.49Å
37	D	96.6	Very high	98.5	Very high	98 Å²	98	49.7 Å²	49.7	52%	0.524	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.8	175.7	-83.6	-24.5	0	0	0	113.6	I3 H11 M39	I3-D37 WeakPolarHBondContact CD1-OD1 3.44Å; H11-D37 IonicContact NE2-OD1 2.73Å; D37-M39 PolarHBondContact O-N 3.01Å
38	N	97.1	Very high	98.5	Very high	86 Å²	86	47.8 Å²	47.8	46%	0.46	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.7	176.3	63.3	23.5	0	0	0	112.9	E36 N40	E36-N38 VanDerWaalsContact CB-OD1 3.24Å; E36-N38 WeakPolarHBondContact CB-OD1 3.39Å; E36-N38 PolarHBondContact O-N 3.32Å; E36-N38 VanDerWaalsContact O-N 3.12Å; E36-N38 PolarHBondContact OE2-ND2 2.77Å; E36-N38 PolarHBondContact OE2-OD1 3.43Å; N38-N40 VanDerWaalsContact C-N 3.27Å; N38-N40 PolarHBondContact ND2-ND2 2.93Å; N38-N40 PolarHBondContact O-N 3.13Å; N38-N40 VanDerWaalsContact OD1-CB 3.26Å; N38-N40 WeakPolarHBondContact OD1-CB 3.15Å; N38-N40 PolarHBondContact OD1-N 3Å; N38-N40 PolarHBondContact OD1-ND2 3.47Å; N38-N40 VanDerWaalsContact OD1-ND2 3.07Å; N38-N40 PolarHBondContact OD1-OD1 3.42Å
39	M	98.2	Very high	98.5	Very high	63 Å²	63	48.4 Å²	48.4	31%	0.31	24%	0.242	S	C	.	.			trans	65.4	13.7	-175.2	-59.2	176	39.5	0	0	115.9	I7 L10 E36 D37 C41 G65 I68 L71	I7-M39 HydrophobicContact CD1-CG 3.68Å; I7-M39 HydrophobicContact CD1-SD 4.23Å; L10-M39 HydrophobicContact CD2-CB 4.49Å; L10-M39 HydrophobicContact CD2-CG 4.2Å; E36-M39 WeakPolarHBondContact O-CA 3.28Å; E36-M39 PolarHBondContact O-N 2.77Å; D37-M39 PolarHBondContact O-N 3.01Å; M39-C41 PolarHBondContact O-N 3.13Å; M39-C41 PolarHBondContact O-SG 2.93Å; M39-G65 WeakPolarHBondContact O-CA 3.49Å; M39-I68 HydrophobicContact CE-CB 4.32Å; M39-I68 HydrophobicContact CE-CG2 4.25Å; M39-I68 WeakPolarHBondContact O-CD1 3.48Å; M39-L71 HydrophobicContact CE-CD1 4.42Å
40	N	98.5	Very high	98.4	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.08	23%	0.232	C	C	.	.			trans	-59.2	135.8	166	-63.1	-23.8	0	0	0	108.9	A35 E36 N38 Y62 I63 R64 G65	A35-N40 WeakPolarHBondContact CA-O 3.38Å; E36-N40 HydrophobicContact CB-CB 4.13Å; E36-N40 HydrophobicContact CG-CB 4.21Å; E36-N40 PolarHBondContact N-O 3.27Å; E36-N40 PolarHBondContact OE2-ND2 3.04Å; N38-N40 VanDerWaalsContact C-N 3.27Å; N38-N40 PolarHBondContact ND2-ND2 2.93Å; N38-N40 PolarHBondContact O-N 3.13Å; N38-N40 VanDerWaalsContact OD1-CB 3.26Å; N38-N40 WeakPolarHBondContact OD1-CB 3.15Å; N38-N40 PolarHBondContact OD1-N 3Å; N38-N40 PolarHBondContact OD1-ND2 3.47Å; N38-N40 VanDerWaalsContact OD1-ND2 3.07Å; N38-N40 PolarHBondContact OD1-OD1 3.42Å; N40-Y62 HydrophobicContact CB-CE1 4.25Å; N40-Y62 HydrophobicContact CB-CE2 4.2Å; N40-Y62 VanDerWaalsContact CB-OH 3.24Å; N40-Y62 WeakPolarHBondContact CB-OH 3.37Å; N40-Y62 PolarHBondContact ND2-OH 3.43Å; N40-I63 WeakPolarHBondContact CA-O 3.36Å; N40-R64 WeakPolarHBondContact OD1-CA 3.48Å; N40-G65 PolarHBondContact OD1-N 3.16Å
41	C	98.7	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.6	-174.9	-67.1	0	0	0	0	109.8	L32 E34 M39 Y62 I63 I68	L32-C41 HydrophobicContact CD1-CB 3.97Å; E34-C41 WeakPolarHBondContact O-CA 3.49Å; M39-C41 PolarHBondContact O-N 3.13Å; M39-C41 PolarHBondContact O-SG 2.93Å; C41-Y62 WeakPolarHBondContact O-CA 3.31Å; C41-I63 PolarHBondContact N-O 3.5Å; C41-I63 PolarHBondContact O-N 3.26Å; C41-I68 HydrophobicContact CB-CD1 4.27Å
42	Q	98.8	Very high	98.3	Very high	50 Å²	50	54.3 Å²	54.3	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.6	165.1	-174.4	171.4	-35.9	0	0	108.9	I33 E34 V61 Y62	I33-Q42 HydrophobicContact CB-CB 4.41Å; I33-Q42 HydrophobicContact CB-CG 4.22Å; I33-Q42 WeakPolarHBondContact CB-O 3.49Å; I33-Q42 PolarHBondContact N-O 3.17Å; E34-Q42 HydrophobicContact CB-CB 4.18Å; E34-Q42 PolarHBondContact N-O 3.04Å; E34-Q42 PolarHBondContact O-N 3.11Å; Q42-V61 WeakPolarHBondContact CA-O 3.38Å; Q42-Y62 HydrophobicContact CB-CD2 4.16Å
43	M	98.8	Very high	98.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.7	179.1	-56	176.4	65.2	0	0	110.9	V18 C20 K31 L32 I46 Q60 V61 I63	V18-M43 HydrophobicContact CG2-CE 3.59Å; V18-M43 HydrophobicContact CG2-SD 4.39Å; C20-M43 HydrophobicContact CB-SD 4.22Å; K31-M43 CarbonylContact O-C 3.56Å; K31-M43 WeakPolarHBondContact O-CA 3.22Å; K31-M43 WeakPolarHBondContact O-CB 3.06Å; L32-M43 HydrophobicContact CD1-CG 4.3Å; M43-I46 HydrophobicContact CB-CD1 4.25Å; M43-I46 HydrophobicContact CB-CG1 3.87Å; M43-Q60 WeakPolarHBondContact O-CA 3.35Å; M43-V61 HydrophobicContact CB-CG2 3.79Å; M43-V61 HydrophobicContact CG-CG2 4.46Å; M43-V61 PolarHBondContact N-O 3.25Å; M43-V61 PolarHBondContact O-N 2.96Å; M43-I63 HydrophobicContact SD-CD1 4.21Å
44	S	98.8	Very high	98.2	Very high	22 Å²	22	61.5 Å²	61.5	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.9	171.6	77.3	0	0	0	0	113.1	K31 I33 I46 E59	K31-S44 PolarHBondContact N-O 3.07Å; K31-S44 PolarHBondContact O-N 3.44Å; I33-S44 VanDerWaalsContact CD1-OG 3.29Å; I33-S44 WeakPolarHBondContact CD1-OG 3.36Å; S44-I46 VanDerWaalsContact C-CD1 3.43Å; S44-I46 VanDerWaalsContact CA-CD1 3.44Å; S44-E59 CarbonylContact C-O 3.6Å; S44-E59 WeakPolarHBondContact CA-O 3.12Å; S44-E59 WeakPolarHBondContact CB-O 3.12Å
45	N	98.6	Very high	98.2	Very high	125 Å²	125	60.9 Å²	60.9	67%	0.668	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.6	61.6	-177.6	-61.3	-41.9	0	0	0	111.7	E59	N45-E59 PolarHBondContact N-O 3.17Å
46	I	98.8	Very high	98.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.8	-168.3	-49.5	93.8	0	0	0	110.6	Y28 R29 M43 S44 Q57 L58 V61	Y28-I46 HydrophobicContact CD1-CG2 4Å; Y28-I46 HydrophobicContact CG-CG2 4.43Å; R29-I46 CarbonylContact O-C 3.54Å; R29-I46 VanDerWaalsContact O-CA 3.3Å; R29-I46 WeakPolarHBondContact O-CA 3.3Å; M43-I46 HydrophobicContact CB-CD1 4.25Å; M43-I46 HydrophobicContact CB-CG1 3.87Å; S44-I46 VanDerWaalsContact C-CD1 3.43Å; S44-I46 VanDerWaalsContact CA-CD1 3.44Å; I46-Q57 CarbonylContact O-C 3.51Å; I46-Q57 WeakPolarHBondContact O-CA 3.45Å; I46-Q57 PolarHBondContact O-OE1 3.24Å; I46-Q57 VanDerWaalsContact O-OE1 3.09Å; I46-L58 HydrophobicContact CB-CB 4.38Å; I46-L58 HydrophobicContact CD1-CB 4.39Å; I46-L58 WeakPolarHBondContact CD1-O 3.38Å; I46-L58 PolarHBondContact N-O 3.29Å; I46-L58 PolarHBondContact O-N 3.1Å; I46-V61 HydrophobicContact CD1-CB 4.33Å; I46-V61 HydrophobicContact CD1-CG1 4.11Å; I46-V61 HydrophobicContact CD1-CG2 3.72Å; I46-V61 HydrophobicContact CG1-CG2 3.83Å
47	T	98.8	Very high	98.2	Very high	47 Å²	47	65.8 Å²	65.8	29%	0.288	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.4	159.6	-55.9	0	0	0	0	108.4	R29 V55 A56 Q57	R29-T47 PolarHBondContact N-O 3.18Å; R29-T47 PolarHBondContact O-N 3.3Å; T47-V55 HydrophobicContact CG2-CG1 3.41Å; T47-V55 VanDerWaalsContact CG2-CG1 3.41Å; T47-A56 WeakPolarHBondContact CA-O 3.46Å; T47-Q57 VanDerWaalsContact OG1-CD 3.31Å; T47-Q57 PolarHBondContact OG1-NE2 3.12Å; T47-Q57 PolarHBondContact OG1-OE1 3.39Å
48	V	98.6	Very high	98.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.5	175.3	61.7	0	0	0	0	110.1	E26 V27 Y28 Y50 V55 A56 L58	E26-V48 HydrophobicContact CB-CG2 4.49Å; V27-V48 CarbonylContact O-C 3.49Å; V27-V48 VanDerWaalsContact O-CA 3.28Å; V27-V48 WeakPolarHBondContact O-CA 3.34Å; Y28-V48 HydrophobicContact CD1-CB 3.88Å; Y28-V48 HydrophobicContact CD1-CG2 3.72Å; Y28-V48 HydrophobicContact CD2-CG2 4.4Å; Y28-V48 HydrophobicContact CE1-CB 3.96Å; Y28-V48 HydrophobicContact CE1-CG2 3.49Å; Y28-V48 VanDerWaalsContact CE1-CG2 3.49Å; Y28-V48 HydrophobicContact CE2-CG2 4.2Å; Y28-V48 HydrophobicContact CG-CG2 4.18Å; V48-Y50 HydrophobicContact CG1-CE2 3.98Å; V48-Y50 HydrophobicContact CG2-CE1 4.29Å; V48-V55 CarbonylContact O-C 3.59Å; V48-V55 VanDerWaalsContact O-CA 3.25Å; V48-V55 WeakPolarHBondContact O-CA 3.4Å; V48-A56 HydrophobicContact CG1-CB 3.76Å; V48-A56 WeakPolarHBondContact CG1-O 3.42Å; V48-A56 PolarHBondContact N-O 3.17Å; V48-A56 PolarHBondContact O-N 3.34Å; V48-L58 HydrophobicContact CB-CD1 4.34Å; V48-L58 HydrophobicContact CG1-CD1 3.88Å; V48-L58 HydrophobicContact CG1-CG 4.19Å
49	T	98.7	Very high	98.3	Very high	54 Å²	54	67.8 Å²	67.8	33%	0.331	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118	169.9	-52.6	0	0	0	0	108.7	E26 V27 R54 V55	E26-T49 WeakPolarHBondContact CA-O 3.14Å; V27-T49 PolarHBondContact N-O 2.91Å; V27-T49 PolarHBondContact O-N 2.8Å; T49-R54 WeakPolarHBondContact CA-O 3.43Å; T49-V55 HydrophobicContact CG2-CG2 4.33Å
50	Y	98.3	Very high	98.3	Very high	82 Å²	82	70.9 Å²	70.9	32%	0.322	36%	0.356	S	S	.	.			trans	-79.9	164.4	176	-60.4	-76.9	0	0	0	110.7	E26 V48 D52 G53 R54 A56	E26-Y50 HydrophobicContact CG-CD1 3.96Å; V48-Y50 HydrophobicContact CG1-CE2 3.98Å; V48-Y50 HydrophobicContact CG2-CE1 4.29Å; Y50-D52 WeakPolarHBondContact CB-OD1 3.42Å; Y50-D52 PolarHBondContact O-N 3.33Å; Y50-G53 WeakPolarHBondContact O-CA 3.29Å; Y50-G53 PolarHBondContact O-N 3.17Å; Y50-R54 HydrophobicContact CD2-CB 4.1Å; Y50-R54 WeakPolarHBondContact CD2-O 3.46Å; Y50-R54 PolarHBondContact N-O 3.36Å; Y50-A56 HydrophobicContact CE2-CB 3.97Å
51	R	97.3	Very high	98.3	Very high	176 Å²	176	71.3 Å²	71.3	66%	0.664	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.1	-179.6	-71.5	-164	-123.3	-163	-11.1	114.4	T24 G53	T24-R51 VanDerWaalsContact CB-NH2 3.25Å; T24-R51 WeakPolarHBondContact O-CD 3.4Å; T24-R51 PolarHBondContact O-NE 2.86Å; T24-R51 PolarHBondContact O-NH2 3.17Å; R51-G53 PolarHBondContact O-N 3.49Å
52	D	96.7	Very high	98.3	Very high	96 Å²	96	77.3 Å²	77.3	51%	0.513	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4	176.5	59.8	14.5	0	0	0	112.9	Y50 R54	Y50-D52 WeakPolarHBondContact CB-OD1 3.42Å; Y50-D52 PolarHBondContact O-N 3.33Å; D52-R54 VanDerWaalsContact C-N 3.27Å; D52-R54 VanDerWaalsContact CG-NE 3.33Å; D52-R54 PolarHBondContact O-N 3.26Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.42Å; D52-R54 WeakPolarHBondContact OD1-CG 3.16Å; D52-R54 PolarHBondContact OD1-N 3.21Å; D52-R54 IonicContact OD1-NE 3.98Å; D52-R54 PolarHBondContact OD1-NE 3.02Å; D52-R54 IonicContact OD2-CZ 3.78Å; D52-R54 IonicContact OD2-NE 2.63Å; D52-R54 PolarHBondContact OD2-NE 2.86Å; D52-R54 IonicContact OD2-NH2 3.5Å; D52-R54 PolarHBondContact OD2-NH2 2.91Å
53	G	97.3	Very high	98.3	Very high	49 Å²	49	75.6 Å²	75.6	51%	0.505	38%	0.375	S	S	.	.	S	Bend	trans	82.7	-3.1	179.8	0	0	0	0	0	114.1	Y50 R51	Y50-G53 WeakPolarHBondContact O-CA 3.29Å; Y50-G53 PolarHBondContact O-N 3.17Å; R51-G53 PolarHBondContact O-N 3.49Å
54	R	98.3	Very high	98.3	Very high	167 Å²	167	83 Å²	83	63%	0.63	40%	0.403	S	S	*	.			trans	-66.2	144.2	175.1	-68.5	-174.6	-67.2	162.7	-3.7	110.3	T49 Y50 D52	T49-R54 WeakPolarHBondContact CA-O 3.43Å; Y50-R54 HydrophobicContact CD2-CB 4.1Å; Y50-R54 WeakPolarHBondContact CD2-O 3.46Å; Y50-R54 PolarHBondContact N-O 3.36Å; D52-R54 VanDerWaalsContact C-N 3.27Å; D52-R54 VanDerWaalsContact CG-NE 3.33Å; D52-R54 PolarHBondContact O-N 3.26Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.42Å; D52-R54 WeakPolarHBondContact OD1-CG 3.16Å; D52-R54 PolarHBondContact OD1-N 3.21Å; D52-R54 IonicContact OD1-NE 3.98Å; D52-R54 PolarHBondContact OD1-NE 3.02Å; D52-R54 IonicContact OD2-CZ 3.78Å; D52-R54 IonicContact OD2-NE 2.63Å; D52-R54 PolarHBondContact OD2-NE 2.86Å; D52-R54 IonicContact OD2-NH2 3.5Å; D52-R54 PolarHBondContact OD2-NH2 2.91Å
55	V	98.5	Very high	98.3	Very high	87 Å²	87	82.3 Å²	82.3	53%	0.527	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.4	179.3	179.8	0	0	0	0	109.6	T47 V48 T49	T47-V55 HydrophobicContact CG2-CG1 3.41Å; T47-V55 VanDerWaalsContact CG2-CG1 3.41Å; V48-V55 CarbonylContact O-C 3.59Å; V48-V55 VanDerWaalsContact O-CA 3.25Å; V48-V55 WeakPolarHBondContact O-CA 3.4Å; T49-V55 HydrophobicContact CG2-CG2 4.33Å
56	A	98.3	Very high	98.3	Very high	31 Å²	31	79.6 Å²	79.6	26%	0.256	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.4	171.6	0	0	0	0	0	110.9	T47 V48 Y50	T47-A56 WeakPolarHBondContact CA-O 3.46Å; V48-A56 HydrophobicContact CG1-CB 3.76Å; V48-A56 WeakPolarHBondContact CG1-O 3.42Å; V48-A56 PolarHBondContact N-O 3.17Å; V48-A56 PolarHBondContact O-N 3.34Å; Y50-A56 HydrophobicContact CE2-CB 3.97Å
57	Q	98.4	Very high	98.2	Very high	133 Å²	133	85.6 Å²	85.6	62%	0.621	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	136.2	172.3	-62.8	-65.6	-6.3	0	0	109.2	I46 T47	I46-Q57 CarbonylContact O-C 3.51Å; I46-Q57 WeakPolarHBondContact O-CA 3.45Å; I46-Q57 PolarHBondContact O-OE1 3.24Å; I46-Q57 VanDerWaalsContact O-OE1 3.09Å; T47-Q57 VanDerWaalsContact OG1-CD 3.31Å; T47-Q57 PolarHBondContact OG1-NE2 3.12Å; T47-Q57 PolarHBondContact OG1-OE1 3.39Å
58	L	98.3	Very high	98.2	Very high	57 Å²	57	84 Å²	84	30%	0.298	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.4	177.9	-57.5	173.5	0	0	0	108.5	Y28 I46 V48 V61	Y28-L58 HydrophobicContact CE1-CD1 4.24Å; I46-L58 HydrophobicContact CB-CB 4.38Å; I46-L58 HydrophobicContact CD1-CB 4.39Å; I46-L58 WeakPolarHBondContact CD1-O 3.38Å; I46-L58 PolarHBondContact N-O 3.29Å; I46-L58 PolarHBondContact O-N 3.1Å; V48-L58 HydrophobicContact CB-CD1 4.34Å; V48-L58 HydrophobicContact CG1-CD1 3.88Å; V48-L58 HydrophobicContact CG1-CG 4.19Å; L58-V61 HydrophobicContact CB-CG1 4.03Å; L58-V61 HydrophobicContact CD1-CG1 3.52Å; L58-V61 HydrophobicContact CG-CG1 4.41Å
59	E	98.3	Very high	98.2	Very high	170 Å²	170	90.2 Å²	90.2	79%	0.794	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	-42.6	179.2	-66.7	-175.3	169.9	0	0	111.6	S44 N45	S44-E59 CarbonylContact C-O 3.6Å; S44-E59 WeakPolarHBondContact CA-O 3.12Å; S44-E59 WeakPolarHBondContact CB-O 3.12Å; N45-E59 PolarHBondContact N-O 3.17Å
60	Q	98.3	Very high	98.2	Very high	127 Å²	127	91.7 Å²	91.7	59%	0.593	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	141.2	-177.1	-169.1	168.6	-17.7	0	0	110.9	M43	M43-Q60 WeakPolarHBondContact O-CA 3.35Å
61	V	98.4	Very high	98.2	Very high	24 Å²	24	89.7 Å²	89.7	15%	0.145	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.5	172.8	-63	0	0	0	0	110.6	Y28 Q42 M43 I46 L58 I63	Y28-V61 HydrophobicContact CD1-CG2 4.5Å; Q42-V61 WeakPolarHBondContact CA-O 3.38Å; M43-V61 HydrophobicContact CB-CG2 3.79Å; M43-V61 HydrophobicContact CG-CG2 4.46Å; M43-V61 PolarHBondContact N-O 3.25Å; M43-V61 PolarHBondContact O-N 2.96Å; I46-V61 HydrophobicContact CD1-CB 4.33Å; I46-V61 HydrophobicContact CD1-CG1 4.11Å; I46-V61 HydrophobicContact CD1-CG2 3.72Å; I46-V61 HydrophobicContact CG1-CG2 3.83Å; L58-V61 HydrophobicContact CB-CG1 4.03Å; L58-V61 HydrophobicContact CD1-CG1 3.52Å; L58-V61 HydrophobicContact CG-CG1 4.41Å; V61-I63 HydrophobicContact CG2-CD1 4.34Å; V61-I63 HydrophobicContact CG2-CG1 4.28Å
62	Y	98.6	Very high	98.3	Very high	126 Å²	126	85.8 Å²	85.8	49%	0.494	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.2	168.9	-175.9	-92	0	0	0	108.7	E36 N40 C41 Q42	E36-Y62 PolarHBondContact OE1-OH 3.49Å; N40-Y62 HydrophobicContact CB-CE1 4.25Å; N40-Y62 HydrophobicContact CB-CE2 4.2Å; N40-Y62 VanDerWaalsContact CB-OH 3.24Å; N40-Y62 WeakPolarHBondContact CB-OH 3.37Å; N40-Y62 PolarHBondContact ND2-OH 3.43Å; C41-Y62 WeakPolarHBondContact O-CA 3.31Å; Q42-Y62 HydrophobicContact CB-CD2 4.16Å
63	I	98.5	Very high	98.3	Very high	15 Å²	15	83.4 Å²	83.4	8%	0.077	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.4	-176.3	-55.2	175.6	0	0	0	108.4	C20 T22 Y28 N40 C41 M43 V61 G65 I68	C20-I63 HydrophobicContact CB-CD1 4.47Å; T22-I63 HydrophobicContact CG2-CG2 4.44Å; Y28-I63 HydrophobicContact CD1-CD1 4.22Å; Y28-I63 HydrophobicContact CD2-CD1 3.84Å; Y28-I63 HydrophobicContact CE2-CD1 4.32Å; Y28-I63 HydrophobicContact CG-CD1 3.79Å; N40-I63 WeakPolarHBondContact CA-O 3.36Å; C41-I63 PolarHBondContact N-O 3.5Å; C41-I63 PolarHBondContact O-N 3.26Å; M43-I63 HydrophobicContact SD-CD1 4.21Å; V61-I63 HydrophobicContact CG2-CD1 4.34Å; V61-I63 HydrophobicContact CG2-CG1 4.28Å; I63-G65 PolarHBondContact O-N 3.26Å; I63-I68 HydrophobicContact CG2-CD1 4.23Å; I63-I68 HydrophobicContact CG2-CG1 3.78Å
64	R	98.6	Very high	98.3	Very high	156 Å²	156	82.5 Å²	82.5	59%	0.589	39%	0.389	S	S	*	.			trans	-65.4	129	174.8	-176.8	-179.1	173.1	88.1	0.5	110.4	N40 S66 K67	N40-R64 WeakPolarHBondContact OD1-CA 3.48Å; R64-S66 VanDerWaalsContact C-N 3.28Å; R64-S66 WeakPolarHBondContact CD-OG 3.46Å; R64-S66 PolarHBondContact NE-OG 2.86Å; R64-S66 PolarHBondContact O-N 3.09Å; R64-K67 HydrophobicContact CB-CG 4.37Å; R64-K67 WeakPolarHBondContact O-CA 3.49Å; R64-K67 WeakPolarHBondContact O-CB 3.49Å; R64-K67 PolarHBondContact O-N 3.38Å
65	G	98.3	Very high	98.1	Very high	6 Å²	6	80.7 Å²	80.7	6%	0.062	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.9	-176	0	0	0	0	0	114.2	M39 N40 I63 K67 I68	M39-G65 WeakPolarHBondContact O-CA 3.49Å; N40-G65 PolarHBondContact OD1-N 3.16Å; I63-G65 PolarHBondContact O-N 3.26Å; G65-K67 PolarHBondContact O-N 3.05Å; G65-I68 WeakPolarHBondContact O-CB 3.36Å; G65-I68 PolarHBondContact O-N 3.38Å
66	S	98.4	Very high	97.7	Very high	68 Å²	68	82.8 Å²	82.8	48%	0.476	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.9	-7.5	176	75	0	0	0	0	114.5	N23 R64	N23-S66 PolarHBondContact ND2-O 3.49Å; R64-S66 VanDerWaalsContact C-N 3.28Å; R64-S66 WeakPolarHBondContact CD-OG 3.46Å; R64-S66 PolarHBondContact NE-OG 2.86Å; R64-S66 PolarHBondContact O-N 3.09Å
67	K	98.4	Very high	97.3	Very high	126 Å²	126	82.5 Å²	82.5	55%	0.548	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-105.7	0.3	176.1	-59.4	-60.8	-176.2	179.3	0	112.4	T22 N23 R64 G65	T22-K67 CarbonylContact C-O 3.43Å; T22-K67 WeakPolarHBondContact CA-O 3.38Å; T22-K67 WeakPolarHBondContact CB-O 3.43Å; N23-K67 PolarHBondContact N-O 3.02Å; R64-K67 HydrophobicContact CB-CG 4.37Å; R64-K67 WeakPolarHBondContact O-CA 3.49Å; R64-K67 WeakPolarHBondContact O-CB 3.49Å; R64-K67 PolarHBondContact O-N 3.38Å; G65-K67 PolarHBondContact O-N 3.05Å
68	I	98.6	Very high	96.8	Very high	13 Å²	13	82.8 Å²	82.8	7%	0.067	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133	176	-59.7	-178	0	0	0	109.3	M39 C41 I63 G65 L71	M39-I68 HydrophobicContact CE-CB 4.32Å; M39-I68 HydrophobicContact CE-CG2 4.25Å; M39-I68 WeakPolarHBondContact O-CD1 3.48Å; C41-I68 HydrophobicContact CB-CD1 4.27Å; I63-I68 HydrophobicContact CG2-CD1 4.23Å; I63-I68 HydrophobicContact CG2-CG1 3.78Å; G65-I68 WeakPolarHBondContact O-CB 3.36Å; G65-I68 PolarHBondContact O-N 3.38Å; I68-L71 HydrophobicContact CD1-CD1 4.44Å; I68-L71 HydrophobicContact CG2-CD1 3.99Å; I68-L71 HydrophobicContact CG2-CG 4.07Å
69	R	98.4	Very high	96	Very high	132 Å²	132	85.2 Å²	85.2	50%	0.498	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-52.6	172.7	-175.4	-175.8	-68.9	167.6	-2.8	110.6	E21 N23	E21-R69 WeakPolarHBondContact O-CB 3.47Å; E21-R69 PolarHBondContact O-N 3.24Å; E21-R69 WeakPolarHBondContact OE1-CD 3.49Å; E21-R69 IonicContact OE1-CZ 3.53Å; E21-R69 IonicContact OE1-NE 3.14Å; E21-R69 IonicContact OE1-NH1 3.07Å; E21-R69 PolarHBondContact OE1-NH1 2.86Å; N23-R69 PolarHBondContact O-NH2 3.49Å
70	F	98.6	Very high	95.3	Very high	84 Å²	84	77.4 Å²	77.4	37%	0.368	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	164.2	174.2	65.9	-99.5	0	0	0	111.6	E21 I72	E21-F70 HydrophobicContact CB-CD1 4.13Å; E21-F70 HydrophobicContact CB-CD2 4.37Å; E21-F70 HydrophobicContact CB-CE1 3.68Å; E21-F70 HydrophobicContact CB-CE2 3.94Å; E21-F70 HydrophobicContact CB-CG 4.45Å; E21-F70 HydrophobicContact CB-CZ 3.57Å; E21-F70 HydrophobicContact CG-CE1 4.04Å; E21-F70 HydrophobicContact CG-CZ 4.17Å; E21-F70 PolarHBondContact N-O 2.85Å; E21-F70 PolarHBondContact O-N 3.14Å; E21-F70 WeakPolarHBondContact OE1-CE1 3.39Å; E21-F70 WeakPolarHBondContact OE2-CE1 3.5Å; E21-F70 WeakPolarHBondContact OE2-CZ 3.19Å; F70-I72 HydrophobicContact CD2-CG1 4.08Å; F70-I72 HydrophobicContact CE2-CD1 4.07Å; F70-I72 HydrophobicContact CE2-CG1 3.83Å
71	L	98.4	Very high	94.2	Very high	40 Å²	40	75.3 Å²	75.3	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140	171.6	-70	132.1	0	0	0	109.7	L10 V18 T19 C20 M39 I68 L73	L10-L71 HydrophobicContact CD1-CD1 3.93Å; L10-L71 HydrophobicContact CD2-CD1 4.44Å; V18-L71 HydrophobicContact CG2-CD2 4.42Å; T19-L71 CarbonylContact O-C 3.51Å; T19-L71 VanDerWaalsContact O-CA 3.28Å; T19-L71 WeakPolarHBondContact O-CA 3.07Å; C20-L71 HydrophobicContact CB-CD2 3.78Å; C20-L71 HydrophobicContact CB-CG 4.5Å; M39-L71 HydrophobicContact CE-CD1 4.42Å; I68-L71 HydrophobicContact CD1-CD1 4.44Å; I68-L71 HydrophobicContact CG2-CD1 3.99Å; I68-L71 HydrophobicContact CG2-CG 4.07Å; L71-L73 HydrophobicContact CB-CD2 4.03Å
72	I	98.4	Very high	93.3	Very high	95 Å²	95	77.3 Å²	77.3	49%	0.487	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.2	167.3	-49.7	177.9	0	0	0	106.9	V18 T19 F70	V18-I72 WeakPolarHBondContact CA-O 3.35Å; T19-I72 HydrophobicContact CG2-CD1 4.41Å; T19-I72 PolarHBondContact N-O 3.44Å; T19-I72 PolarHBondContact O-N 2.81Å; F70-I72 HydrophobicContact CD2-CG1 4.08Å; F70-I72 HydrophobicContact CE2-CD1 4.07Å; F70-I72 HydrophobicContact CE2-CG1 3.83Å
73	L	97.8	Very high	92.1	Very high	46 Å²	46	75.5 Å²	75.5	24%	0.241	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-102.5	162.3	-179.2	-50.7	-177.9	0	0	0	110.5	V9 L10 A13 V18 L71 L77	V9-L73 HydrophobicContact CG1-CD1 3.96Å; L10-L73 HydrophobicContact CD1-CD2 4.26Å; A13-L73 HydrophobicContact CB-CB 4.46Å; A13-L73 HydrophobicContact CB-CD1 4.14Å; A13-L73 HydrophobicContact CB-CD2 3.76Å; A13-L73 HydrophobicContact CB-CG 4.33Å; V18-L73 HydrophobicContact CB-CD2 4.32Å; V18-L73 HydrophobicContact CG1-CD2 3.78Å; L71-L73 HydrophobicContact CB-CD2 4.03Å; L73-L77 HydrophobicContact CB-CD1 4.01Å; L73-L77 HydrophobicContact CD1-CD1 4.18Å
74	P	97	Very high	90.7	Very high	29 Å²	29	81.2 Å²	81.2	19%	0.188	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-60.2	140.6	176.5	-20.8	29.7	0	0	0	113.2	H16 M76 L77	H16-P74 HydrophobicContact CB-CG 3.47Å; H16-P74 VanDerWaalsContact CB-CG 3.47Å; P74-M76 PolarHBondContact O-N 3.33Å; P74-L77 PolarHBondContact O-N 2.9Å; P74-L77 VanDerWaalsContact O-N 3.07Å
75	D	93.4	Very high	88.7	Confident	129 Å²	129	76.8 Å²	76.8	69%	0.69	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-59.3	-18.9	178.9	-73.5	-7.3	0	0	0	114.2	L77 K78	D75-L77 PolarHBondContact O-N 3.15Å; D75-K78 WeakPolarHBondContact O-CB 3.35Å; D75-K78 WeakPolarHBondContact O-CD 3.45Å; D75-K78 WeakPolarHBondContact O-CG 3.48Å; D75-K78 PolarHBondContact O-N 3.04Å
76	M	91.3	Very high	86.8	Confident	132 Å²	132	81.7 Å²	81.7	65%	0.65	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-60.8	-29	176.6	-59.5	-169.4	-64.6	0	0	112.1	P74 K78	P74-M76 PolarHBondContact O-N 3.33Å; M76-K78 PolarHBondContact O-N 3.07Å
77	L	89.7	Confident	84.8	Confident	25 Å²	25	86.7 Å²	86.7	13%	0.131	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-74.6	-9	-179.8	-60.5	179.1	0	0	0	113.4	V9 E12 A13 L73 P74 D75 N79 A80	V9-L77 HydrophobicContact CG1-CB 4.47Å; V9-L77 HydrophobicContact CG1-CD1 4.4Å; E12-L77 HydrophobicContact CB-CD2 3.89Å; A13-L77 HydrophobicContact CB-CD1 3.63Å; L73-L77 HydrophobicContact CB-CD1 4.01Å; L73-L77 HydrophobicContact CD1-CD1 4.18Å; P74-L77 PolarHBondContact O-N 2.9Å; P74-L77 VanDerWaalsContact O-N 3.07Å; D75-L77 PolarHBondContact O-N 3.15Å; L77-N79 PolarHBondContact O-N 2.92Å; L77-N79 VanDerWaalsContact O-N 3.1Å; L77-A80 WeakPolarHBondContact O-CB 3.38Å; L77-A80 PolarHBondContact O-N 2.6Å
78	K	87.1	Confident	82.7	Confident	138 Å²	138	86.8 Å²	86.8	60%	0.6	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.4	175.5	76.8	-166.5	169.6	-173.3	0	113.3	D75 M76	D75-K78 WeakPolarHBondContact O-CB 3.35Å; D75-K78 WeakPolarHBondContact O-CD 3.45Å; D75-K78 WeakPolarHBondContact O-CG 3.48Å; D75-K78 PolarHBondContact O-N 3.04Å; M76-K78 PolarHBondContact O-N 3.07Å
79	N	82.6	Confident	80.6	Confident	108 Å²	108	94.2 Å²	94.2	58%	0.578	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-98.2	3.2	-179.7	-66	-37.6	0	0	0	113.1	L77 K84	L77-N79 PolarHBondContact O-N 2.92Å; L77-N79 VanDerWaalsContact O-N 3.1Å; N79-K84 WeakPolarHBondContact O-CE 3.42Å
80	A	81.8	Confident	78.5	Confident	7 Å²	7	95.5 Å²	95.5	6%	0.058	48%	0.481	C	S	.	.			trans	-51.9	137.8	-178.9	0	0	0	0	0	111.3	E12 L77 M82 L83	E12-A80 WeakPolarHBondContact OE2-CB 3.24Å; L77-A80 WeakPolarHBondContact O-CB 3.38Å; L77-A80 PolarHBondContact O-N 2.6Å; A80-M82 PolarHBondContact O-N 2.93Å; A80-M82 VanDerWaalsContact O-N 3.13Å; A80-L83 PolarHBondContact O-N 3.44Å; A80-L83 VanDerWaalsContact O-N 3.13Å
81	P	76.6	Confident	76.3	Confident	83 Å²	83	100.1 Å²	100.1	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-59.7	-28.6	-178	25.2	-33.6	0	0	0	112.1	L83 K84	P81-L83 VanDerWaalsContact C-N 3.3Å; P81-L83 PolarHBondContact O-N 3.22Å; P81-K84 WeakPolarHBondContact O-CB 3.26Å; P81-K84 PolarHBondContact O-N 3.07Å
82	M	78.1	Confident	74.2	Confident	66 Å²	66	101.2 Å²	101.2	33%	0.325	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-34.1	-179.9	-58.4	-57.9	162.9	0	0	112.7	V5 K8 V9 E12 A80 K84 S85	V5-M82 HydrophobicContact CG1-CB 4.19Å; K8-M82 HydrophobicContact CB-CG 4.21Å; K8-M82 HydrophobicContact CD-SD 3.9Å; V9-M82 HydrophobicContact CG2-CB 4.2Å; E12-M82 WeakPolarHBondContact OE1-CG 3.24Å; A80-M82 PolarHBondContact O-N 2.93Å; A80-M82 VanDerWaalsContact O-N 3.13Å; M82-K84 VanDerWaalsContact C-N 3.33Å; M82-K84 PolarHBondContact O-N 3.12Å; M82-S85 PolarHBondContact O-OG 3.41Å
83	L	73.3	Confident	72.1	Confident	87 Å²	87	102.4 Å²	102.4	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-75.2	-22.7	180	-157.2	70.2	0	0	0	112.5	A80 P81	A80-L83 PolarHBondContact O-N 3.44Å; A80-L83 VanDerWaalsContact O-N 3.13Å; P81-L83 VanDerWaalsContact C-N 3.3Å; P81-L83 PolarHBondContact O-N 3.22Å
84	K	69.2	Low	69.9	Low	136 Å²	136	104 Å²	104	59%	0.591	57%	0.57	S	S	*	*	H	α-helix	trans	-71.5	-29.6	179.5	-61.1	178.3	-175.6	173.2	0	112.6	N79 P81 M82 M86 K87	N79-K84 WeakPolarHBondContact O-CE 3.42Å; P81-K84 WeakPolarHBondContact O-CB 3.26Å; P81-K84 PolarHBondContact O-N 3.07Å; M82-K84 VanDerWaalsContact C-N 3.33Å; M82-K84 PolarHBondContact O-N 3.12Å; K84-M86 PolarHBondContact O-N 2.88Å; K84-K87 PolarHBondContact O-N 2.94Å
85	S	58.4	Low	67.8	Low	63 Å²	63	107.1 Å²	107.1	44%	0.441	60%	0.598	S	S	.	*	H	α-helix	trans	-67.5	-21.8	-177	79.1	0	0	0	0	114.1	M82	M82-S85 PolarHBondContact O-OG 3.41Å
86	M	56.9	Low	65.9	Low	109 Å²	109	104.1 Å²	104.1	54%	0.537	60%	0.598	S	S	.	*	H	α-helix	trans	-73.8	-30.7	178.6	-78.8	-178.4	157.3	0	0	113	V5 K84 N88	V5-M86 HydrophobicContact CB-CE 4.01Å; V5-M86 HydrophobicContact CG1-CE 4.35Å; V5-M86 HydrophobicContact CG1-SD 4.47Å; V5-M86 HydrophobicContact CG2-CE 4.27Å; K84-M86 PolarHBondContact O-N 2.88Å; M86-N88 VanDerWaalsContact C-N 3.33Å; M86-N88 PolarHBondContact O-N 3.07Å
87	K	56.1	Low	64.2	Low	173 Å²	173	109.2 Å²	109.2	75%	0.752	61%	0.609	S	S	*	*	H	α-helix	trans	-69.3	-30.3	-179.6	-84.1	-176.8	174.9	-179.8	0	113.2	K84	K84-K87 PolarHBondContact O-N 2.94Å
88	N	54.8	Low	62.5	Low	128 Å²	128	110 Å²	110	68%	0.684	62%	0.624	S	S	*	*	H	α-helix	trans	-92.1	-13.3	-171.6	-69.9	-0.1	0	0	0	114.3	M86	M86-N88 VanDerWaalsContact C-N 3.33Å; M86-N88 PolarHBondContact O-N 3.07Å
89	K	55.5	Low	61	Low	168 Å²	168	111.1 Å²	111.1	73%	0.73	63%	0.629	S	S	*	*	H	α-helix	trans	-78.1	-21.7	178.6	-91.8	-178.5	175.3	177.6	0	114.1	Q91	K89-Q91 VanDerWaalsContact C-N 3.34Å
90	N	53.2	Low	59.8	Low	159 Å²	159	109.2 Å²	109.2	85%	0.85	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	0.6	176.7	-83.2	8.1	0	0	0	114.5
91	Q	53.1	Low	58.7	Low	182 Å²	182	111.7 Å²	111.7	85%	0.85	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	10.6	177.5	-72.1	-171.2	21.2	0	0	114	K89	K89-Q91 VanDerWaalsContact C-N 3.34Å
92	G	52.9	Low	57.9	Low	63 Å²	63	112.9 Å²	112.9	65%	0.649	65%	0.649	S	S	*	*	S	Bend	trans	-129.8	33.1	-163.7	0	0	0	0	0	116.8
93	S	54.6	Low	57	Low	119 Å²	119	115 Å²	115	83%	0.832	66%	0.661	S	S	*	*	S	Bend	trans	-155.7	27.1	172.9	59.8	0	0	0	0	115.7
94	G	51.3	Low	56.2	Low	81 Å²	81	118.9 Å²	118.9	84%	0.835	67%	0.674	S	S	*	*	S	Bend	trans	-137.2	-12.4	-179.6	0	0	0	0	0	117.6
95	A	54.1	Low	55.8	Low	93 Å²	93	115.2 Å²	115.2	77%	0.769	67%	0.669	S	S	*	*	S	Bend	trans	-125.5	19.4	-164.2	0	0	0	0	0	115.7
96	G	53.5	Low	55.7	Low	67 Å²	67	118.4 Å²	118.4	69%	0.691	68%	0.677	S	S	*	*	S	Bend	trans	-106.6	-23.7	-175.8	0	0	0	0	0	116.4
97	R	54.6	Low	55.8	Low	238 Å²	238	118.4 Å²	118.4	90%	0.898	68%	0.683	S	S	*	*	S	Bend	trans	-97.9	-21.4	-171.3	-77.5	-179	170.4	142	-3	114.9
98	G	53.9	Low	55.9	Low	42 Å²	42	113.8 Å²	113.8	43%	0.433	68%	0.677	S	S	.	*	H	α-helix	trans	-81.3	-38.4	-176.9	0	0	0	0	0	114.5	A100 A101 I102	G98-A100 PolarHBondContact O-N 3.29Å; G98-A101 PolarHBondContact O-N 3.06Å; G98-I102 VanDerWaalsContact O-CG1 3.31Å; G98-I102 WeakPolarHBondContact O-CG1 3.31Å; G98-I102 PolarHBondContact O-N 3.48Å
99	K	56.6	Low	55.9	Low	161 Å²	161	111.4 Å²	111.4	70%	0.7	68%	0.675	S	S	*	*	H	α-helix	trans	-69.2	-37.2	-173.4	-78.5	-177.2	173.6	179.4	0	113	I102 L103	K99-I102 PolarHBondContact O-N 3.48Å; K99-L103 WeakPolarHBondContact O-CB 3.49Å; K99-L103 PolarHBondContact O-N 3.02Å
100	A	56.3	Low	55.7	Low	68 Å²	68	114.6 Å²	114.6	56%	0.562	68%	0.683	S	S	*	*	H	α-helix	trans	-67	-36.3	175.6	0	0	0	0	0	112.1	G98 K104	G98-A100 PolarHBondContact O-N 3.29Å; A100-K104 WeakPolarHBondContact O-CB 3.32Å; A100-K104 PolarHBondContact O-N 3.47Å
101	A	59.3	Low	55.5	Low	59 Å²	59	110.1 Å²	110.1	49%	0.488	67%	0.674	S	S	.	*	H	α-helix	trans	-70.2	-39.9	176.7	0	0	0	0	0	112.4	G98 K104 A105	G98-A101 PolarHBondContact O-N 3.06Å; A101-K104 PolarHBondContact O-N 3.27Å; A101-A105 VanDerWaalsContact O-CB 3.31Å; A101-A105 WeakPolarHBondContact O-CB 3.31Å; A101-A105 PolarHBondContact O-N 3.43Å
102	I	60.3	Low	55.5	Low	109 Å²	109	113 Å²	113	56%	0.559	68%	0.677	S	S	*	*	H	α-helix	trans	-67	-42.8	177.6	-65.8	164.2	0	0	0	111.2	G98 K99 A105 Q106	G98-I102 VanDerWaalsContact O-CG1 3.31Å; G98-I102 WeakPolarHBondContact O-CG1 3.31Å; G98-I102 PolarHBondContact O-N 3.48Å; K99-I102 PolarHBondContact O-N 3.48Å; I102-A105 PolarHBondContact O-N 3.02Å; I102-Q106 PolarHBondContact O-N 3.4Å
103	L	58.8	Low	55.1	Low	109 Å²	109	113.3 Å²	113.3	57%	0.571	68%	0.681	S	S	*	*	H	α-helix	trans	-64.2	-40.4	175.1	-89.1	151.8	0	0	0	112	K99 Q106 V107	K99-L103 WeakPolarHBondContact O-CB 3.49Å; K99-L103 PolarHBondContact O-N 3.02Å; L103-Q106 PolarHBondContact O-N 2.92Å; L103-V107 WeakPolarHBondContact O-CG2 3.35Å; L103-V107 PolarHBondContact O-N 2.95Å; L103-V107 VanDerWaalsContact O-N 3.09Å
104	K	57.2	Low	54.8	Low	170 Å²	170	120.2 Å²	120.2	74%	0.739	69%	0.688	S	S	*	*	H	α-helix	trans	-67.4	-36.1	176.1	-139.4	175.6	-171.1	179.3	0	112.1	A100 A101 A108	A100-K104 WeakPolarHBondContact O-CB 3.32Å; A100-K104 PolarHBondContact O-N 3.47Å; A101-K104 PolarHBondContact O-N 3.27Å; K104-A108 WeakPolarHBondContact O-CB 3.38Å; K104-A108 PolarHBondContact O-N 3.32Å
105	A	59.8	Low	54.1	Low	59 Å²	59	119.6 Å²	119.6	49%	0.488	68%	0.682	S	S	.	*	H	α-helix	trans	-68.6	-38.5	175	0	0	0	0	0	112.5	A101 I102 A108 A109	A101-A105 VanDerWaalsContact O-CB 3.31Å; A101-A105 WeakPolarHBondContact O-CB 3.31Å; A101-A105 PolarHBondContact O-N 3.43Å; I102-A105 PolarHBondContact O-N 3.02Å; A105-A108 PolarHBondContact O-N 2.89Å; A105-A109 VanDerWaalsContact O-CB 3.32Å; A105-A109 WeakPolarHBondContact O-CB 3.41Å; A105-A109 PolarHBondContact O-N 3.09Å
106	Q	57.4	Low	53.5	Low	130 Å²	130	119.3 Å²	119.3	61%	0.607	69%	0.689	S	S	*	*	H	α-helix	trans	-67	-37	175.1	-104.1	-179.7	-20	0	0	112.9	I102 L103 R110	I102-Q106 PolarHBondContact O-N 3.4Å; L103-Q106 PolarHBondContact O-N 2.92Å; Q106-R110 PolarHBondContact O-N 3.4Å
107	V	58.5	Low	52.8	Low	109 Å²	109	124.4 Å²	124.4	66%	0.661	70%	0.698	S	S	*	*	H	α-helix	trans	-70.5	-39.3	175.4	175.3	0	0	0	0	111.1	L103 R110	L103-V107 WeakPolarHBondContact O-CG2 3.35Å; L103-V107 PolarHBondContact O-N 2.95Å; L103-V107 VanDerWaalsContact O-N 3.09Å; V107-R110 PolarHBondContact O-N 3.06Å
108	A	58.5	Low	51.9	Low	75 Å²	75	116 Å²	116	62%	0.62	69%	0.685	S	S	*	*	H	α-helix	trans	-67.5	-34.6	175.5	0	0	0	0	0	113	K104 A105 G111	K104-A108 WeakPolarHBondContact O-CB 3.38Å; K104-A108 PolarHBondContact O-N 3.32Å; A105-A108 PolarHBondContact O-N 2.89Å; A108-G111 PolarHBondContact O-N 3.44Å
109	A	54	Low	51	Low	79 Å²	79	126.3 Å²	126.3	65%	0.653	71%	0.711	S	S	*	*	H	α-helix	trans	-75	-23.2	179.1	0	0	0	0	0	113.8	A105 G111	A105-A109 VanDerWaalsContact O-CB 3.32Å; A105-A109 WeakPolarHBondContact O-CB 3.41Å; A105-A109 PolarHBondContact O-N 3.09Å; A109-G111 VanDerWaalsContact C-N 3.3Å
110	R	51.7	Low	50	Low	235 Å²	235	122.2 Å²	122.2	89%	0.887	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-6	174.2	-99.4	-177.9	165.1	170.5	-4.2	114.3	Q106 V107	Q106-R110 PolarHBondContact O-N 3.4Å; V107-R110 PolarHBondContact O-N 3.06Å
111	G	49.8	Very low	49.2	Very low	64 Å²	64	127 Å²	127	66%	0.66	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	0.7	-178.5	0	0	0	0	0	116.1	A108 A109	A108-G111 PolarHBondContact O-N 3.44Å; A109-G111 VanDerWaalsContact C-N 3.3Å
112	R	52.4	Low	48.4	Very low	242 Å²	242	131.9 Å²	131.9	91%	0.913	75%	0.747	S	S	*	*	S	Bend	trans	-124.5	85.5	178.5	-83.4	-178.3	171.2	166.5	-2.5	110.8
113	G	44.3	Very low	47.4	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	76%	0.762	S	S	*	*	S	Bend	trans	178	92	171.9	0	0	0	0	0	115
114	R	48.6	Very low	46.6	Very low	263 Å²	263	140.4 Å²	140.4	99%	0.992	78%	0.779	S	S	*	*			trans	76.4	91.5	137.7	-135.6	168.1	-178.1	169.3	-1.6	116.4
115	G	37.2	Very low	45.8	Very low	68 Å²	68	139.8 Å²	139.8	70%	0.701	78%	0.776	S	S	*	*			trans	-154.4	71.3	165.9	0	0	0	0	0	110.6	I117	G115-I117 PolarHBondContact O-N 3.33Å
116	G	41.3	Very low	44.8	Very low	88 Å²	88	147.1 Å²	147.1	91%	0.907	79%	0.791	S	S	*	*			trans	-66.1	117.6	169.2	0	0	0	0	0	109.5
117	I	37.2	Very low	44.1	Very low	173 Å²	173	156 Å²	156	89%	0.887	82%	0.819	S	S	*	*			trans	-123.6	119.4	172.1	-65.9	172.4	0	0	0	106.5	G115	G115-I117 PolarHBondContact O-N 3.33Å
118	G	35.8	Very low	43.4	Very low	61 Å²	61	158.4 Å²	158.4	63%	0.629	83%	0.827	S	S	*	*			trans	167	101.9	164.6	0	0	0	0	0	116.6
119	R	36.3	Very low	42.6	Very low	259 Å²	259	162.7 Å²	162.7	98%	0.977	84%	0.838	S	S	*	*			trans	81	125.4	148.7	-56.8	173.4	176.8	169.5	-1.4	115.6
120	G	35.9	Very low	41.9	Very low	75 Å²	75	167.4 Å²	167.4	77%	0.773	85%	0.848	S	S	*	*			cis	170.7	129.9	5.3	0	0	0	0	0	106.2
121	N	38	Very low	41.4	Very low	169 Å²	169	163.4 Å²	163.4	90%	0.904	85%	0.846	S	S	*	*			trans	-112.8	103.3	173.9	-120.9	7.3	0	0	0	107.2
122	I	43.9	Very low	40.8	Very low	162 Å²	162	169.6 Å²	169.6	83%	0.831	86%	0.858	S	S	*	*			trans	-125	110.8	164.2	-85.8	172.4	0	0	0	107.6
123	F	38.3	Very low	40.1	Very low	198 Å²	198	164.8 Å²	164.8	87%	0.868	85%	0.854	S	S	*	*			trans	-52.8	129.9	157.8	-109	-107.3	0	0	0	109.9
124	Q	41.6	Very low	39.8	Very low	198 Å²	198	171.5 Å²	171.5	93%	0.925	86%	0.863	S	S	*	*			trans	-151.3	142.4	134.8	-125.9	174.6	11.5	0	0	112.5
125	K	41.8	Very low	39.1	Very low	158 Å²	158	164.5 Å²	164.5	69%	0.687	85%	0.853	S	S	*	*			trans	-104.2	156.6	-166.7	-165.4	-171.7	-175.6	169.3	0	108.6
126	R	37.4	Very low	39.2	Very low	213 Å²	213	172.5 Å²	172.5	80%	0.804	87%	0.865	S	S	*	*			trans	81.7	138.9	163.5	-48.3	-176.2	139.1	135	-7.8	113.4
127	R	43.4	Very low	39.1	Very low	316 Å²	316	180.2 Å²	180.2	100%	1.192	86%	0.862	S	S	*	*			cis	-154.9	0	26.5	-146.4	-179.3	-166.8	172.9	1.4	109.3

Retrieved 127 of 127 residues in 141.1 ms (Link to these results)

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