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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^{1,2,3,4,5,6,7,8,9}. Component of both the pre-catalytic spliceosome B complex and activated spliceosome C complexes^10,11,12,13. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs^14,15. As part of the U7 snRNP it is involved in histone pre-mRNA 3'-end processing (By similarity).

AlphaFold DB , UniProt , Accession P62318, Species HUMAN (Homo sapiens, Human), Gene SNRPD3, Length 126 aa.

						>SMD3_HUMAN|P62318|SNRPD3
MSIGVPIKVLHEAEGHIVTCETNTGEVYRGKLIEAEDNMNCQMSNITVTYRDGRVAQLEQVYIRGSKIRFLILPDMLKNAPMLKSMKNKNQGSGAGRGKAAILKAQVAARGRGRGMGRGNIFQKRR
					

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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	53.8	Low	88.3	Confident	233 Å²	233	71.7 Å²	71.7	100%	1.148	41%	0.412	S	S	*	.				0	125.2	0	-79.3	174.8	-96.4	0	0	108.1	I3	M1-I3 PolarHBondContact O-N 3.39Å
2	S	77.1	Confident	88.9	Confident	123 Å²	123	73.9 Å²	73.9	86%	0.86	42%	0.416	S	S	*	.			trans	-84.5	110	176.7	60.6	0	0	0	0	109.5
3	I	84.7	Confident	89.6	Confident	57 Å²	57	68.2 Å²	68.2	29%	0.292	38%	0.384	S	S	.	.			trans	-66.3	136	176.4	-62.7	157	0	0	0	109.7	M1 I7 K8 D37	M1-I3 PolarHBondContact O-N 3.39Å; I3-I7 HydrophobicContact CG2-CB 3.34Å; I3-I7 HydrophobicContact CG2-CG1 4.22Å; I3-I7 HydrophobicContact CG2-CG2 3.32Å; I3-K8 HydrophobicContact CG2-CG 4.18Å; I3-K8 VanDerWaalsContact O-CE 3.25Å; I3-K8 WeakPolarHBondContact O-CE 3.22Å; I3-D37 WeakPolarHBondContact CD1-OD1 3.41Å; I3-D37 WeakPolarHBondContact CD1-OD2 3.19Å
4	G	91.1	Very high	90.2	Very high	41 Å²	41	68.1 Å²	68.1	42%	0.423	38%	0.379	S	S	.	.			trans	-67.7	158.6	179.7	0	0	0	0	0	113	P6 I7 K8	G4-P6 VanDerWaalsContact C-CD 3.45Å; G4-P6 VanDerWaalsContact C-N 3.34Å; G4-I7 PolarHBondContact O-N 3.48Å; G4-K8 PolarHBondContact O-N 3.43Å; G4-K8 VanDerWaalsContact O-N 3.16Å
5	V	92.4	Very high	90.7	Very high	37 Å²	37	66.3 Å²	66.3	22%	0.224	38%	0.382	C	S	.	.	H	α-helix	trans	-53.8	-41.4	179.5	174.5	0	0	0	0	113.4	I7 K8 V9 M82 L83 M86	V5-I7 PolarHBondContact O-N 3.26Å; V5-K8 PolarHBondContact O-N 3.39Å; V5-V9 HydrophobicContact CG1-CG2 4.15Å; V5-V9 WeakPolarHBondContact O-CG2 3.33Å; V5-V9 PolarHBondContact O-N 3.47Å; V5-M82 HydrophobicContact CG1-CB 4Å; V5-L83 HydrophobicContact CG1-CD2 4.13Å; V5-M86 HydrophobicContact CB-CE 3.79Å; V5-M86 HydrophobicContact CG1-CE 3.55Å; V5-M86 HydrophobicContact CG2-CE 4.04Å
6	P	94.2	Very high	91.2	Very high	100 Å²	100	66.1 Å²	66.1	65%	0.649	38%	0.376	S	S	*	.	H	α-helix	trans	-58.8	-43.9	179.1	-27.3	36.6	0	0	0	114	G4 V9 L10	G4-P6 VanDerWaalsContact C-CD 3.45Å; G4-P6 VanDerWaalsContact C-N 3.34Å; P6-V9 PolarHBondContact O-N 2.83Å; P6-L10 PolarHBondContact O-N 2.9Å
7	I	95.6	Very high	91.6	Very high	30 Å²	30	67.1 Å²	67.1	15%	0.154	38%	0.379	C	S	.	.	H	α-helix	trans	-69.3	-37.9	179.2	-55.9	-61.3	0	0	0	110.7	I3 G4 V5 V9 L10 H11 M39	I3-I7 HydrophobicContact CG2-CB 3.34Å; I3-I7 HydrophobicContact CG2-CG1 4.22Å; I3-I7 HydrophobicContact CG2-CG2 3.32Å; G4-I7 PolarHBondContact O-N 3.48Å; V5-I7 PolarHBondContact O-N 3.26Å; I7-V9 VanDerWaalsContact C-N 3.3Å; I7-V9 PolarHBondContact O-N 3.35Å; I7-L10 WeakPolarHBondContact O-CB 3.33Å; I7-L10 PolarHBondContact O-N 2.92Å; I7-L10 VanDerWaalsContact O-N 3.1Å; I7-H11 PolarHBondContact O-CD2 2.89Å; I7-H11 PolarHBondContact O-N 2.78Å; I7-M39 HydrophobicContact CD1-CG 3.4Å; I7-M39 HydrophobicContact CD1-SD 3.84Å
8	K	94.3	Very high	92	Very high	87 Å²	87	63.4 Å²	63.4	38%	0.378	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-42.8	171.9	-66.7	-177.9	177.5	-179.5	0	112.1	I3 G4 V5 L10 H11 E12 M82	I3-K8 HydrophobicContact CG2-CG 4.18Å; I3-K8 VanDerWaalsContact O-CE 3.25Å; I3-K8 WeakPolarHBondContact O-CE 3.22Å; G4-K8 PolarHBondContact O-N 3.43Å; G4-K8 VanDerWaalsContact O-N 3.16Å; V5-K8 PolarHBondContact O-N 3.39Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.45Å; K8-H11 PolarHBondContact O-N 2.99Å; K8-E12 WeakPolarHBondContact O-CG 3.46Å; K8-E12 PolarHBondContact O-N 3.45Å; K8-M82 HydrophobicContact CB-CG 4.05Å; K8-M82 HydrophobicContact CD-CG 4.23Å; K8-M82 HydrophobicContact CD-SD 3.76Å
9	V	95.3	Very high	92.4	Very high	15 Å²	15	61.5 Å²	61.5	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-31.3	177.1	175.5	0	0	0	0	111.4	V5 P6 I7 E12 A13 L73 L77 M82 L83	V5-V9 HydrophobicContact CG1-CG2 4.15Å; V5-V9 WeakPolarHBondContact O-CG2 3.33Å; V5-V9 PolarHBondContact O-N 3.47Å; P6-V9 PolarHBondContact O-N 2.83Å; I7-V9 VanDerWaalsContact C-N 3.3Å; I7-V9 PolarHBondContact O-N 3.35Å; V9-E12 PolarHBondContact O-N 2.76Å; V9-A13 PolarHBondContact O-N 3.5Å; V9-L73 HydrophobicContact CG1-CD1 3.86Å; V9-L77 HydrophobicContact CG1-CB 4.45Å; V9-L77 HydrophobicContact CG1-CD1 4.39Å; V9-M82 HydrophobicContact CG2-CB 4.21Å; V9-L83 HydrophobicContact CG2-CD2 4.07Å; V9-L83 HydrophobicContact CG2-CG 4.09Å
10	L	96.9	Very high	92.7	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-43.7	173	179.1	58	0	0	0	111.9	P6 I7 K8 E12 A13 L32 A35 M39 L71 L73	P6-L10 PolarHBondContact O-N 2.9Å; I7-L10 WeakPolarHBondContact O-CB 3.33Å; I7-L10 PolarHBondContact O-N 2.92Å; I7-L10 VanDerWaalsContact O-N 3.1Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.45Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 2.79Å; L10-A13 WeakPolarHBondContact O-CA 3.43Å; L10-A13 VanDerWaalsContact O-CB 3.26Å; L10-A13 WeakPolarHBondContact O-CB 3.14Å; L10-A13 PolarHBondContact O-N 3.43Å; L10-L32 HydrophobicContact CD1-CD2 3.94Å; L10-A35 HydrophobicContact CD1-CB 4.35Å; L10-A35 HydrophobicContact CD2-CB 4.02Å; L10-A35 HydrophobicContact CG-CB 3.71Å; L10-M39 HydrophobicContact CD2-CG 4.33Å; L10-L71 HydrophobicContact CD1-CD1 3.79Å; L10-L71 HydrophobicContact CD2-CD1 4.16Å; L10-L73 HydrophobicContact CD1-CD2 4.09Å
11	H	96.4	Very high	93	Very high	58 Å²	58	57.5 Å²	57.5	27%	0.269	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-37.9	173.5	-70.7	-67.4	0	0	0	112.5	I7 K8 A13 E14 A35 D37	I7-H11 PolarHBondContact O-CD2 2.89Å; I7-H11 PolarHBondContact O-N 2.78Å; K8-H11 PolarHBondContact O-N 2.99Å; H11-A13 PolarHBondContact O-N 2.95Å; H11-A13 VanDerWaalsContact O-N 3.14Å; H11-E14 IonicContact CG-OE1 2.71Å; H11-E14 IonicContact ND1-OE1 3.1Å; H11-E14 PolarHBondContact ND1-OE1 3.44Å; H11-E14 VanDerWaalsContact O-CB 3.31Å; H11-E14 WeakPolarHBondContact O-CB 3.27Å; H11-E14 WeakPolarHBondContact O-CG 3.17Å; H11-E14 PolarHBondContact O-N 3.48Å; H11-A35 PolarHBondContact CE1-O 3.5Å; H11-A35 PolarHBondContact ND1-O 3.4Å; H11-A35 VanDerWaalsContact ND1-O 3.14Å; H11-D37 IonicContact NE2-OD1 3.51Å; H11-D37 PolarHBondContact NE2-OD1 3.35Å
12	E	95.5	Very high	95.1	Very high	98 Å²	98	46.8 Å²	46.8	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-17.4	174.7	-62.7	-77.6	155	0	0	112.9	K8 V9 L10 L77	K8-E12 WeakPolarHBondContact O-CG 3.46Å; K8-E12 PolarHBondContact O-N 3.45Å; V9-E12 PolarHBondContact O-N 2.76Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 2.79Å; E12-L77 HydrophobicContact CB-CD2 3.87Å
13	A	97.6	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.6	175.9	0	0	0	0	0	113.7	V9 L10 H11 H16 V18 L32 L73 L77	V9-A13 PolarHBondContact O-N 3.5Å; L10-A13 WeakPolarHBondContact O-CA 3.43Å; L10-A13 VanDerWaalsContact O-CB 3.26Å; L10-A13 WeakPolarHBondContact O-CB 3.14Å; L10-A13 PolarHBondContact O-N 3.43Å; H11-A13 PolarHBondContact O-N 2.95Å; H11-A13 VanDerWaalsContact O-N 3.14Å; A13-H16 WeakPolarHBondContact O-CB 3.43Å; A13-H16 PolarHBondContact O-N 3.26Å; A13-H16 VanDerWaalsContact O-N 3.13Å; A13-H16 PolarHBondContact O-ND1 3.17Å; A13-V18 HydrophobicContact CB-CG1 4.14Å; A13-L32 HydrophobicContact CB-CD2 4.09Å; A13-L73 HydrophobicContact CB-CB 4.34Å; A13-L73 HydrophobicContact CB-CD1 4.17Å; A13-L73 HydrophobicContact CB-CD2 3.75Å; A13-L73 HydrophobicContact CB-CG 4.3Å; A13-L77 HydrophobicContact CB-CD1 3.59Å
14	E	98.2	Very high	96.7	Very high	67 Å²	67	46 Å²	46	31%	0.313	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	142.6	175	-69.3	172.8	-169.1	0	0	110.5	H11 H16 L32 A35	H11-E14 IonicContact CG-OE1 2.71Å; H11-E14 IonicContact ND1-OE1 3.1Å; H11-E14 PolarHBondContact ND1-OE1 3.44Å; H11-E14 VanDerWaalsContact O-CB 3.31Å; H11-E14 WeakPolarHBondContact O-CB 3.27Å; H11-E14 WeakPolarHBondContact O-CG 3.17Å; H11-E14 PolarHBondContact O-N 3.48Å; E14-H16 VanDerWaalsContact C-N 3.27Å; E14-H16 PolarHBondContact O-N 3.32Å; E14-H16 PolarHBondContact O-ND1 3.35Å; E14-L32 HydrophobicContact CG-CD2 4.3Å; E14-L32 HydrophobicContact CG-CG 4.38Å; E14-A35 HydrophobicContact CG-CB 4.35Å; E14-A35 PolarHBondContact OE1-N 3.46Å
15	G	98	Very high	97	Very high	41 Å²	41	45 Å²	45	42%	0.423	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-7.3	-174.6	0	0	0	0	0	115.5	K31 L32	G15-K31 WeakPolarHBondContact O-CE 3.49Å; G15-L32 WeakPolarHBondContact CA-O 3.33Å; G15-L32 PolarHBondContact N-O 3.47Å
16	H	98.5	Very high	97.2	Very high	62 Å²	62	45.2 Å²	45.2	29%	0.287	25%	0.249	S	C	.	.	S	Bend	trans	-109.5	164.9	-177.4	-56.9	80.6	0	0	0	112.9	A13 E14 V18 K31 L32 P74 M76	A13-H16 WeakPolarHBondContact O-CB 3.43Å; A13-H16 PolarHBondContact O-N 3.26Å; A13-H16 VanDerWaalsContact O-N 3.13Å; A13-H16 PolarHBondContact O-ND1 3.17Å; E14-H16 VanDerWaalsContact C-N 3.27Å; E14-H16 PolarHBondContact O-N 3.32Å; E14-H16 PolarHBondContact O-ND1 3.35Å; H16-V18 PolarHBondContact O-N 3.24Å; H16-K31 WeakPolarHBondContact O-CA 3.32Å; H16-L32 PolarHBondContact O-N 3.5Å; H16-P74 HydrophobicContact CB-CG 3.37Å; H16-M76 WeakPolarHBondContact NE2-CE 3.24Å
17	I	98.6	Very high	97.5	Very high	84 Å²	84	42.4 Å²	42.4	43%	0.431	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.3	172	-56.9	-58.7	0	0	0	109.3	R29 G30 K31	I17-R29 HydrophobicContact CG2-CG 4.09Å; I17-G30 WeakPolarHBondContact CA-O 3.37Å; I17-K31 HydrophobicContact CD1-CB 3.99Å
18	V	98.7	Very high	97.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.3	174.8	-56.3	0	0	0	0	109.8	A13 H16 R29 G30 L32 M43 L71 I72 L73	A13-V18 HydrophobicContact CB-CG1 4.14Å; H16-V18 PolarHBondContact O-N 3.24Å; V18-R29 WeakPolarHBondContact O-CA 3.32Å; V18-G30 PolarHBondContact N-O 3.04Å; V18-G30 PolarHBondContact O-N 3.45Å; V18-G30 VanDerWaalsContact O-N 3.14Å; V18-L32 HydrophobicContact CG1-CB 4Å; V18-L32 HydrophobicContact CG1-CD2 4.21Å; V18-L32 HydrophobicContact CG2-CB 3.84Å; V18-M43 HydrophobicContact CG2-CE 3.58Å; V18-M43 HydrophobicContact CG2-SD 4.38Å; V18-L71 HydrophobicContact CG2-CD2 4.43Å; V18-I72 WeakPolarHBondContact CA-O 3.21Å; V18-L73 HydrophobicContact CB-CD2 4.42Å; V18-L73 HydrophobicContact CG1-CD2 3.9Å
19	T	98.7	Very high	97.8	Very high	27 Å²	27	45.3 Å²	45.3	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.9	168.3	-52.1	0	0	0	0	108.7	V27 Y28 R29 L71 I72	T19-V27 HydrophobicContact CG2-CG1 3.42Å; T19-V27 VanDerWaalsContact CG2-CG1 3.42Å; T19-Y28 CarbonylContact C-O 3.52Å; T19-Y28 WeakPolarHBondContact CA-O 3.25Å; T19-R29 HydrophobicContact CG2-CB 4.46Å; T19-L71 CarbonylContact O-C 3.39Å; T19-L71 VanDerWaalsContact O-CA 3.3Å; T19-L71 WeakPolarHBondContact O-CA 3.5Å; T19-I72 PolarHBondContact N-O 2.92Å; T19-I72 PolarHBondContact O-N 3.11Å
20	C	98.6	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.9	177.9	176.9	0	0	0	0	109.2	Y28 M43 I63 L71	C20-Y28 PolarHBondContact N-O 3.16Å; C20-Y28 PolarHBondContact O-N 3.41Å; C20-M43 HydrophobicContact CB-SD 4.18Å; C20-I63 HydrophobicContact CB-CD1 4.14Å; C20-L71 HydrophobicContact CB-CD2 3.63Å
21	E	98.6	Very high	98.1	Very high	39 Å²	39	48.3 Å²	48.3	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.3	169.8	-173.3	173.7	127.1	0	0	109.6	E26 V27 R69 F70	E21-E26 WeakPolarHBondContact CA-O 3.28Å; E21-V27 HydrophobicContact CB-CG2 4.44Å; E21-V27 HydrophobicContact CG-CG2 4.1Å; E21-R69 WeakPolarHBondContact O-CB 3.23Å; E21-R69 PolarHBondContact O-N 3.24Å; E21-R69 WeakPolarHBondContact OE1-CD 3.45Å; E21-R69 IonicContact OE1-CZ 3.34Å; E21-R69 IonicContact OE1-NE 3.29Å; E21-R69 IonicContact OE1-NH1 2.6Å; E21-R69 PolarHBondContact OE1-NH1 3.35Å; E21-F70 HydrophobicContact CB-CD1 4.2Å; E21-F70 HydrophobicContact CB-CD2 4.45Å; E21-F70 HydrophobicContact CB-CE1 3.78Å; E21-F70 HydrophobicContact CB-CE2 4.04Å; E21-F70 HydrophobicContact CB-CZ 3.69Å; E21-F70 HydrophobicContact CG-CE1 4.1Å; E21-F70 HydrophobicContact CG-CZ 4.25Å; E21-F70 PolarHBondContact N-O 3.41Å; E21-F70 VanDerWaalsContact N-O 3.07Å; E21-F70 VanDerWaalsContact OE2-CE1 3.22Å; E21-F70 WeakPolarHBondContact OE2-CE1 3.3Å; E21-F70 WeakPolarHBondContact OE2-CZ 3.48Å
22	T	98.4	Very high	98.2	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	164.5	176.6	62	0	0	0	0	111.9	T24 G25 E26 Y28 I63 K67	T22-T24 PolarHBondContact O-N 3.5Å; T22-T24 VanDerWaalsContact O-N 3.12Å; T22-T24 PolarHBondContact OG1-OG1 3.06Å; T22-G25 PolarHBondContact O-N 3.14Å; T22-G25 PolarHBondContact OG1-N 3.25Å; T22-E26 PolarHBondContact N-O 3.13Å; T22-E26 PolarHBondContact OG1-N 3.2Å; T22-E26 VanDerWaalsContact OG1-N 3.11Å; T22-E26 PolarHBondContact OG1-O 2.95Å; T22-E26 PolarHBondContact OG1-OE2 3.09Å; T22-Y28 HydrophobicContact CG2-CD2 3.95Å; T22-Y28 HydrophobicContact CG2-CE2 3.52Å; T22-I63 HydrophobicContact CG2-CG2 4.45Å; T22-K67 CarbonylContact C-O 3.59Å; T22-K67 WeakPolarHBondContact CA-O 3.25Å; T22-K67 WeakPolarHBondContact CB-O 3.42Å
23	N	98.2	Very high	98.3	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.7	175.7	-69.5	-21	0	0	0	113.6	S66 K67 R69	N23-S66 PolarHBondContact ND2-O 3.32Å; N23-S66 VanDerWaalsContact ND2-O 3.17Å; N23-K67 PolarHBondContact N-O 3.35Å; N23-R69 VanDerWaalsContact C-NH2 3.34Å; N23-R69 PolarHBondContact O-NH2 2.79Å; N23-R69 WeakPolarHBondContact OD1-CA 3.21Å; N23-R69 PolarHBondContact OD1-N 2.82Å
24	T	96.7	Very high	98.4	Very high	84 Å²	84	48.4 Å²	48.4	52%	0.515	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.5	177.3	32.9	0	0	0	0	113.2	T22 E26	T22-T24 PolarHBondContact O-N 3.5Å; T22-T24 VanDerWaalsContact O-N 3.12Å; T22-T24 PolarHBondContact OG1-OG1 3.06Å; T24-E26 VanDerWaalsContact CB-OE2 3.24Å; T24-E26 WeakPolarHBondContact CB-OE2 3.08Å; T24-E26 PolarHBondContact OG1-OE2 3.02Å
25	G	97.6	Very high	98.4	Very high	20 Å²	20	45.3 Å²	45.3	21%	0.206	24%	0.237	C	C	.	.	S	Bend	trans	93	9.3	173.4	0	0	0	0	0	114.8	T22	T22-G25 PolarHBondContact O-N 3.14Å; T22-G25 PolarHBondContact OG1-N 3.25Å
26	E	97.9	Very high	98.4	Very high	43 Å²	43	45.9 Å²	45.9	20%	0.201	23%	0.229	C	C	.	.			trans	-73.7	140	165.7	-55.8	83.8	-173.4	0	0	110	E21 T22 T24 Y28 V48 T49 Y50	E21-E26 WeakPolarHBondContact CA-O 3.28Å; T22-E26 PolarHBondContact N-O 3.13Å; T22-E26 PolarHBondContact OG1-N 3.2Å; T22-E26 VanDerWaalsContact OG1-N 3.11Å; T22-E26 PolarHBondContact OG1-O 2.95Å; T22-E26 PolarHBondContact OG1-OE2 3.09Å; T24-E26 VanDerWaalsContact CB-OE2 3.24Å; T24-E26 WeakPolarHBondContact CB-OE2 3.08Å; T24-E26 PolarHBondContact OG1-OE2 3.02Å; E26-Y28 HydrophobicContact CB-CD2 4.4Å; E26-Y28 HydrophobicContact CB-CE2 3.65Å; E26-V48 HydrophobicContact CB-CG2 4.49Å; E26-T49 WeakPolarHBondContact CA-O 3.26Å; E26-Y50 HydrophobicContact CG-CD1 3.96Å
27	V	98.7	Very high	98.3	Very high	41 Å²	41	47.6 Å²	47.6	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.4	-178.8	-178.9	0	0	0	0	109	T19 E21 V48 T49	T19-V27 HydrophobicContact CG2-CG1 3.42Å; T19-V27 VanDerWaalsContact CG2-CG1 3.42Å; E21-V27 HydrophobicContact CB-CG2 4.44Å; E21-V27 HydrophobicContact CG-CG2 4.1Å; V27-V48 CarbonylContact O-C 3.52Å; V27-V48 VanDerWaalsContact O-CA 3.3Å; V27-V48 WeakPolarHBondContact O-CA 3.38Å; V27-T49 PolarHBondContact N-O 3.12Å; V27-T49 PolarHBondContact O-N 3.26Å
28	Y	98.7	Very high	98.2	Very high	37 Å²	37	47.7 Å²	47.7	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.3	179.4	-63.6	-98.7	0	0	0	109	T19 C20 T22 E26 I46 V48 L58 V61 I63	T19-Y28 CarbonylContact C-O 3.52Å; T19-Y28 WeakPolarHBondContact CA-O 3.25Å; C20-Y28 PolarHBondContact N-O 3.16Å; C20-Y28 PolarHBondContact O-N 3.41Å; T22-Y28 HydrophobicContact CG2-CD2 3.95Å; T22-Y28 HydrophobicContact CG2-CE2 3.52Å; E26-Y28 HydrophobicContact CB-CD2 4.4Å; E26-Y28 HydrophobicContact CB-CE2 3.65Å; Y28-I46 HydrophobicContact CD1-CG2 4.02Å; Y28-I46 HydrophobicContact CG-CG2 4.43Å; Y28-V48 HydrophobicContact CD1-CB 3.94Å; Y28-V48 HydrophobicContact CD1-CG2 3.73Å; Y28-V48 HydrophobicContact CD2-CG2 4.4Å; Y28-V48 HydrophobicContact CE1-CB 4.04Å; Y28-V48 HydrophobicContact CE1-CG2 3.53Å; Y28-V48 HydrophobicContact CE2-CG2 4.22Å; Y28-V48 HydrophobicContact CG-CG2 4.17Å; Y28-L58 HydrophobicContact CE1-CD1 4.21Å; Y28-V61 HydrophobicContact CD1-CG1 4.31Å; Y28-V61 HydrophobicContact CD1-CG2 4.46Å; Y28-V61 HydrophobicContact CE1-CG1 4.17Å; Y28-V61 HydrophobicContact CE1-CG2 4.41Å; Y28-I63 HydrophobicContact CD1-CD1 4.18Å; Y28-I63 HydrophobicContact CD2-CD1 3.8Å; Y28-I63 HydrophobicContact CE2-CD1 4.35Å; Y28-I63 HydrophobicContact CG-CD1 3.71Å
29	R	98.7	Very high	98.2	Very high	141 Å²	141	51.2 Å²	51.2	53%	0.532	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.3	174.8	-175.5	176.5	175.2	-80	0.6	110.2	I17 V18 T19 I46 T47	I17-R29 HydrophobicContact CG2-CG 4.09Å; V18-R29 WeakPolarHBondContact O-CA 3.32Å; T19-R29 HydrophobicContact CG2-CB 4.46Å; R29-I46 CarbonylContact O-C 3.58Å; R29-I46 WeakPolarHBondContact O-CA 3.15Å; R29-T47 PolarHBondContact N-O 3.25Å; R29-T47 PolarHBondContact O-N 3.02Å
30	G	98.7	Very high	98.2	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-176.5	-175.6	0	0	0	0	0	111.9	I17 V18	I17-G30 WeakPolarHBondContact CA-O 3.37Å; V18-G30 PolarHBondContact N-O 3.04Å; V18-G30 PolarHBondContact O-N 3.45Å; V18-G30 VanDerWaalsContact O-N 3.14Å
31	K	98.7	Very high	98.2	Very high	84 Å²	84	50.5 Å²	50.5	37%	0.365	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.9	178	-176.7	-179.9	178.5	-179.6	0	109.8	G15 H16 I17 I33 M43 S44	G15-K31 WeakPolarHBondContact O-CE 3.49Å; H16-K31 WeakPolarHBondContact O-CA 3.32Å; I17-K31 HydrophobicContact CD1-CB 3.99Å; K31-I33 HydrophobicContact CD-CD1 4.12Å; K31-I33 HydrophobicContact CG-CD1 4.27Å; K31-I33 PolarHBondContact O-N 2.98Å; K31-M43 CarbonylContact O-C 3.53Å; K31-M43 VanDerWaalsContact O-CA 3.23Å; K31-M43 WeakPolarHBondContact O-CA 3.09Å; K31-S44 PolarHBondContact N-O 3.07Å; K31-S44 PolarHBondContact O-N 2.6Å
32	L	98.8	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.7	169.2	-174.9	61.2	0	0	0	108.6	L10 A13 E14 G15 H16 V18 A35 C41 M43	L10-L32 HydrophobicContact CD1-CD2 3.94Å; A13-L32 HydrophobicContact CB-CD2 4.09Å; E14-L32 HydrophobicContact CG-CD2 4.3Å; E14-L32 HydrophobicContact CG-CG 4.38Å; G15-L32 WeakPolarHBondContact CA-O 3.33Å; G15-L32 PolarHBondContact N-O 3.47Å; H16-L32 PolarHBondContact O-N 3.5Å; V18-L32 HydrophobicContact CG1-CB 4Å; V18-L32 HydrophobicContact CG1-CD2 4.21Å; V18-L32 HydrophobicContact CG2-CB 3.84Å; L32-A35 HydrophobicContact CD2-CB 4.28Å; L32-C41 HydrophobicContact CD1-CB 3.83Å; L32-M43 HydrophobicContact CD1-CG 4.29Å
33	I	98.6	Very high	98.2	Very high	69 Å²	69	51.3 Å²	51.3	35%	0.354	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-48.5	178.2	-65.4	-56.6	0	0	0	110.2	K31 Q42 S44	K31-I33 HydrophobicContact CD-CD1 4.12Å; K31-I33 HydrophobicContact CG-CD1 4.27Å; K31-I33 PolarHBondContact O-N 2.98Å; I33-Q42 HydrophobicContact CB-CB 4.18Å; I33-Q42 PolarHBondContact N-O 3.35Å; I33-S44 VanDerWaalsContact CD1-OG 3.23Å; I33-S44 WeakPolarHBondContact CD1-OG 3.4Å
34	E	98.5	Very high	98.2	Very high	88 Å²	88	47.9 Å²	47.9	41%	0.411	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	139.3	-177.1	-176.9	178.3	-166.2	0	0	109	C41 Q42	E34-C41 WeakPolarHBondContact O-CA 3.47Å; E34-Q42 HydrophobicContact CB-CB 4.23Å; E34-Q42 PolarHBondContact N-O 3.21Å; E34-Q42 PolarHBondContact O-N 3.07Å; E34-Q42 PolarHBondContact OE2-NE2 3.14Å
35	A	98.3	Very high	98.3	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.8	168.5	0	0	0	0	0	109.8	L10 H11 E14 L32 N40	L10-A35 HydrophobicContact CD1-CB 4.35Å; L10-A35 HydrophobicContact CD2-CB 4.02Å; L10-A35 HydrophobicContact CG-CB 3.71Å; H11-A35 PolarHBondContact CE1-O 3.5Å; H11-A35 PolarHBondContact ND1-O 3.4Å; H11-A35 VanDerWaalsContact ND1-O 3.14Å; E14-A35 HydrophobicContact CG-CB 4.35Å; E14-A35 PolarHBondContact OE1-N 3.46Å; L32-A35 HydrophobicContact CD2-CB 4.28Å; A35-N40 WeakPolarHBondContact CA-O 3.25Å
36	E	97.9	Very high	98.3	Very high	53 Å²	53	48.9 Å²	48.9	25%	0.248	24%	0.237	C	C	.	.			trans	-91.5	160.6	175	-65.9	173.4	-141.8	0	0	111.4	N38 M39 N40 Y62	E36-N38 VanDerWaalsContact CB-OD1 3.25Å; E36-N38 WeakPolarHBondContact CB-OD1 3.42Å; E36-N38 PolarHBondContact O-N 2.97Å; E36-N38 PolarHBondContact OE2-ND2 3.33Å; E36-N38 PolarHBondContact OE2-OD1 3.37Å; E36-M39 WeakPolarHBondContact O-CA 3.22Å; E36-M39 PolarHBondContact O-N 3.43Å; E36-N40 HydrophobicContact CB-CB 4.12Å; E36-N40 HydrophobicContact CG-CB 4.16Å; E36-N40 PolarHBondContact N-O 3.1Å; E36-N40 PolarHBondContact OE2-ND2 3.38Å; E36-Y62 PolarHBondContact OE1-OH 2.95Å
37	D	97.1	Very high	98.4	Very high	98 Å²	98	48.9 Å²	48.9	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.6	176.5	-78.9	-8.8	0	0	0	114	I3 H11 M39	I3-D37 WeakPolarHBondContact CD1-OD1 3.41Å; I3-D37 WeakPolarHBondContact CD1-OD2 3.19Å; H11-D37 IonicContact NE2-OD1 3.51Å; H11-D37 PolarHBondContact NE2-OD1 3.35Å; D37-M39 VanDerWaalsContact C-N 3.27Å
38	N	96.9	Very high	98.4	Very high	85 Å²	85	46.9 Å²	46.9	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.1	177.5	62.8	23.7	0	0	0	113	E36 N40	E36-N38 VanDerWaalsContact CB-OD1 3.25Å; E36-N38 WeakPolarHBondContact CB-OD1 3.42Å; E36-N38 PolarHBondContact O-N 2.97Å; E36-N38 PolarHBondContact OE2-ND2 3.33Å; E36-N38 PolarHBondContact OE2-OD1 3.37Å; N38-N40 VanDerWaalsContact C-N 3.27Å; N38-N40 VanDerWaalsContact CG-ND2 3.3Å; N38-N40 PolarHBondContact ND2-ND2 3.36Å; N38-N40 PolarHBondContact O-N 3.26Å; N38-N40 VanDerWaalsContact OD1-CB 3.25Å; N38-N40 WeakPolarHBondContact OD1-CB 3.39Å; N38-N40 PolarHBondContact OD1-N 3.17Å; N38-N40 PolarHBondContact OD1-ND2 3.13Å
39	M	97.8	Very high	98.4	Very high	75 Å²	75	47.8 Å²	47.8	37%	0.369	24%	0.237	S	C	.	.			trans	66.5	12.1	-175.3	-54.9	-174.3	-62.9	0	0	115.8	I7 L10 E36 D37 C41 G65 I68	I7-M39 HydrophobicContact CD1-CG 3.4Å; I7-M39 HydrophobicContact CD1-SD 3.84Å; L10-M39 HydrophobicContact CD2-CG 4.33Å; E36-M39 WeakPolarHBondContact O-CA 3.22Å; E36-M39 PolarHBondContact O-N 3.43Å; D37-M39 VanDerWaalsContact C-N 3.27Å; M39-C41 PolarHBondContact O-N 2.95Å; M39-C41 PolarHBondContact O-SG 2.8Å; M39-G65 WeakPolarHBondContact O-CA 3.09Å; M39-I68 VanDerWaalsContact O-CD1 3.23Å; M39-I68 WeakPolarHBondContact O-CD1 3.39Å
40	N	98.3	Very high	98.3	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.064	23%	0.226	C	C	.	.			trans	-60.2	135.4	166.4	-62.3	-27.3	0	0	0	108.9	A35 E36 N38 Y62 I63 R64 G65	A35-N40 WeakPolarHBondContact CA-O 3.25Å; E36-N40 HydrophobicContact CB-CB 4.12Å; E36-N40 HydrophobicContact CG-CB 4.16Å; E36-N40 PolarHBondContact N-O 3.1Å; E36-N40 PolarHBondContact OE2-ND2 3.38Å; N38-N40 VanDerWaalsContact C-N 3.27Å; N38-N40 VanDerWaalsContact CG-ND2 3.3Å; N38-N40 PolarHBondContact ND2-ND2 3.36Å; N38-N40 PolarHBondContact O-N 3.26Å; N38-N40 VanDerWaalsContact OD1-CB 3.25Å; N38-N40 WeakPolarHBondContact OD1-CB 3.39Å; N38-N40 PolarHBondContact OD1-N 3.17Å; N38-N40 PolarHBondContact OD1-ND2 3.13Å; N40-Y62 HydrophobicContact CB-CE1 4.18Å; N40-Y62 HydrophobicContact CB-CE2 4.32Å; N40-Y62 VanDerWaalsContact CB-OH 3.23Å; N40-Y62 WeakPolarHBondContact CB-OH 3.35Å; N40-Y62 VanDerWaalsContact CG-OH 3.23Å; N40-Y62 PolarHBondContact ND2-OH 3.17Å; N40-I63 CarbonylContact C-O 3.54Å; N40-I63 WeakPolarHBondContact CA-O 3.48Å; N40-R64 VanDerWaalsContact OD1-CA 3.3Å; N40-R64 WeakPolarHBondContact OD1-CA 3.49Å; N40-G65 PolarHBondContact OD1-N 2.9Å
41	C	98.6	Very high	98.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.6	-175.3	-66.8	0	0	0	0	109.8	L32 E34 M39 M43 I63 I68	L32-C41 HydrophobicContact CD1-CB 3.83Å; E34-C41 WeakPolarHBondContact O-CA 3.47Å; M39-C41 PolarHBondContact O-N 2.95Å; M39-C41 PolarHBondContact O-SG 2.8Å; C41-M43 HydrophobicContact CB-CG 4.48Å; C41-I63 PolarHBondContact N-O 2.91Å; C41-I63 PolarHBondContact O-N 3Å; C41-I68 HydrophobicContact CB-CD1 4.44Å
42	Q	98.7	Very high	98.1	Very high	64 Å²	64	55.2 Å²	55.2	30%	0.299	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.5	163.5	-74.3	175.6	54.2	0	0	108.7	I33 E34 Y62	I33-Q42 HydrophobicContact CB-CB 4.18Å; I33-Q42 PolarHBondContact N-O 3.35Å; E34-Q42 HydrophobicContact CB-CB 4.23Å; E34-Q42 PolarHBondContact N-O 3.21Å; E34-Q42 PolarHBondContact O-N 3.07Å; E34-Q42 PolarHBondContact OE2-NE2 3.14Å; Q42-Y62 HydrophobicContact CG-CD2 3.51Å; Q42-Y62 HydrophobicContact CG-CE2 3.96Å
43	M	98.7	Very high	98	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.1	-179.7	-60.9	-178.5	67.7	0	0	110.4	V18 C20 K31 L32 C41 I46 Q60 V61 I63	V18-M43 HydrophobicContact CG2-CE 3.58Å; V18-M43 HydrophobicContact CG2-SD 4.38Å; C20-M43 HydrophobicContact CB-SD 4.18Å; K31-M43 CarbonylContact O-C 3.53Å; K31-M43 VanDerWaalsContact O-CA 3.23Å; K31-M43 WeakPolarHBondContact O-CA 3.09Å; L32-M43 HydrophobicContact CD1-CG 4.29Å; C41-M43 HydrophobicContact CB-CG 4.48Å; M43-I46 HydrophobicContact CB-CD1 4.21Å; M43-I46 HydrophobicContact CB-CG1 3.81Å; M43-I46 WeakPolarHBondContact O-CD1 3Å; M43-Q60 WeakPolarHBondContact O-CA 3.39Å; M43-Q60 PolarHBondContact O-OE1 2.99Å; M43-V61 PolarHBondContact N-O 2.9Å; M43-V61 PolarHBondContact O-N 3.02Å; M43-I63 HydrophobicContact SD-CD1 3.85Å
44	S	98.7	Very high	98	Very high	7 Å²	7	62.2 Å²	62.2	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159.6	175.5	65.3	0	0	0	0	112.1	K31 I33 I46 E59 Q60	K31-S44 PolarHBondContact N-O 3.07Å; K31-S44 PolarHBondContact O-N 2.6Å; I33-S44 VanDerWaalsContact CD1-OG 3.23Å; I33-S44 WeakPolarHBondContact CD1-OG 3.4Å; S44-I46 VanDerWaalsContact C-CD1 3.47Å; S44-I46 PolarHBondContact O-N 2.91Å; S44-E59 CarbonylContact C-O 3.53Å; S44-E59 WeakPolarHBondContact CA-O 3.39Å; S44-Q60 VanDerWaalsContact CB-NE2 3.3Å
45	N	98.5	Very high	98	Very high	124 Å²	124	62.2 Å²	62.2	66%	0.663	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.9	58.9	-179.8	-59.4	-33.2	0	0	0	111.8	E59	N45-E59 PolarHBondContact N-O 2.81Å
46	I	98.6	Very high	98	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130	-169.1	-47	91.2	0	0	0	110.5	Y28 R29 M43 S44 Q57 L58 V61	Y28-I46 HydrophobicContact CD1-CG2 4.02Å; Y28-I46 HydrophobicContact CG-CG2 4.43Å; R29-I46 CarbonylContact O-C 3.58Å; R29-I46 WeakPolarHBondContact O-CA 3.15Å; M43-I46 HydrophobicContact CB-CD1 4.21Å; M43-I46 HydrophobicContact CB-CG1 3.81Å; M43-I46 WeakPolarHBondContact O-CD1 3Å; S44-I46 VanDerWaalsContact C-CD1 3.47Å; S44-I46 PolarHBondContact O-N 2.91Å; I46-Q57 CarbonylContact O-C 3.57Å; I46-Q57 WeakPolarHBondContact O-CA 3.23Å; I46-Q57 PolarHBondContact O-OE1 3.39Å; I46-L58 HydrophobicContact CB-CB 4.36Å; I46-L58 HydrophobicContact CD1-CB 4.3Å; I46-L58 WeakPolarHBondContact CD1-O 3.3Å; I46-L58 PolarHBondContact N-O 3.14Å; I46-L58 PolarHBondContact O-N 3.06Å; I46-V61 HydrophobicContact CD1-CB 4.09Å; I46-V61 HydrophobicContact CD1-CG2 3.89Å; I46-V61 HydrophobicContact CG1-CG2 4.42Å
47	T	98.7	Very high	98	Very high	43 Å²	43	67.4 Å²	67.4	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115	157.9	-56.1	0	0	0	0	108.3	R29 V55 Q57	R29-T47 PolarHBondContact N-O 3.25Å; R29-T47 PolarHBondContact O-N 3.02Å; T47-V55 HydrophobicContact CG2-CG1 3.49Å; T47-V55 VanDerWaalsContact CG2-CG1 3.49Å; T47-Q57 VanDerWaalsContact OG1-CD 3.31Å; T47-Q57 PolarHBondContact OG1-NE2 3.01Å; T47-Q57 PolarHBondContact OG1-OE1 3.34Å
48	V	98.5	Very high	98	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.8	174.9	62.7	0	0	0	0	110	E26 V27 Y28 Y50 V55 A56 L58	E26-V48 HydrophobicContact CB-CG2 4.49Å; V27-V48 CarbonylContact O-C 3.52Å; V27-V48 VanDerWaalsContact O-CA 3.3Å; V27-V48 WeakPolarHBondContact O-CA 3.38Å; Y28-V48 HydrophobicContact CD1-CB 3.94Å; Y28-V48 HydrophobicContact CD1-CG2 3.73Å; Y28-V48 HydrophobicContact CD2-CG2 4.4Å; Y28-V48 HydrophobicContact CE1-CB 4.04Å; Y28-V48 HydrophobicContact CE1-CG2 3.53Å; Y28-V48 HydrophobicContact CE2-CG2 4.22Å; Y28-V48 HydrophobicContact CG-CG2 4.17Å; V48-Y50 HydrophobicContact CG1-CE2 3.78Å; V48-Y50 HydrophobicContact CG2-CE1 4.31Å; V48-V55 VanDerWaalsContact O-CA 3.27Å; V48-V55 WeakPolarHBondContact O-CA 3.38Å; V48-A56 HydrophobicContact CG1-CB 3.82Å; V48-A56 WeakPolarHBondContact CG1-O 3.48Å; V48-A56 PolarHBondContact N-O 2.75Å; V48-A56 PolarHBondContact O-N 3Å; V48-L58 HydrophobicContact CB-CD1 4.18Å; V48-L58 HydrophobicContact CG1-CD1 3.75Å; V48-L58 HydrophobicContact CG1-CG 4.04Å
49	T	98.6	Very high	98.1	Very high	55 Å²	55	69.1 Å²	69.1	34%	0.337	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.8	168.5	-54.1	0	0	0	0	108.4	E26 V27 R54 V55	E26-T49 WeakPolarHBondContact CA-O 3.26Å; V27-T49 PolarHBondContact N-O 3.12Å; V27-T49 PolarHBondContact O-N 3.26Å; T49-R54 WeakPolarHBondContact CA-O 3.31Å; T49-V55 HydrophobicContact CG2-CG2 4.31Å
50	Y	97.9	Very high	98.1	Very high	77 Å²	77	71.6 Å²	71.6	30%	0.302	36%	0.357	S	S	.	.			trans	-77.4	162.1	176.5	-62.5	-78.9	0	0	0	110.7	E26 V48 D52 G53 R54 A56	E26-Y50 HydrophobicContact CG-CD1 3.96Å; V48-Y50 HydrophobicContact CG1-CE2 3.78Å; V48-Y50 HydrophobicContact CG2-CE1 4.31Å; Y50-D52 WeakPolarHBondContact CB-OD1 3.32Å; Y50-D52 PolarHBondContact O-N 3.48Å; Y50-D52 VanDerWaalsContact O-N 3.12Å; Y50-G53 PolarHBondContact O-N 3.06Å; Y50-R54 HydrophobicContact CD2-CB 4.03Å; Y50-R54 WeakPolarHBondContact CD2-O 3.4Å; Y50-R54 PolarHBondContact N-O 2.86Å; Y50-A56 HydrophobicContact CE2-CB 3.9Å
51	R	95.8	Very high	98.1	Very high	211 Å²	211	72.3 Å²	72.3	80%	0.796	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.4	-178.2	-173.5	176.8	178.7	-173.5	-0.4	113.9	G53	R51-G53 PolarHBondContact O-N 3.07Å
52	D	96.4	Very high	98.1	Very high	96 Å²	96	78.1 Å²	78.1	51%	0.513	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.9	176.4	59.6	14.4	0	0	0	113.7	Y50 R54	Y50-D52 WeakPolarHBondContact CB-OD1 3.32Å; Y50-D52 PolarHBondContact O-N 3.48Å; Y50-D52 VanDerWaalsContact O-N 3.12Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 VanDerWaalsContact CG-NE 3.32Å; D52-R54 PolarHBondContact O-N 3.38Å; D52-R54 VanDerWaalsContact OD1-CB 3.3Å; D52-R54 WeakPolarHBondContact OD1-CB 3.5Å; D52-R54 WeakPolarHBondContact OD1-CG 3.44Å; D52-R54 PolarHBondContact OD1-N 2.85Å; D52-R54 IonicContact OD1-NE 2.72Å; D52-R54 PolarHBondContact OD1-NE 2.77Å; D52-R54 IonicContact OD2-CZ 3.82Å; D52-R54 IonicContact OD2-NE 3.91Å; D52-R54 PolarHBondContact OD2-NE 3Å; D52-R54 IonicContact OD2-NH2 3.02Å; D52-R54 PolarHBondContact OD2-NH2 3.25Å
53	G	96.9	Very high	98.1	Very high	51 Å²	51	75.6 Å²	75.6	53%	0.526	37%	0.373	S	S	.	.	S	Bend	trans	84.3	-2.7	179.7	0	0	0	0	0	114.3	Y50 R51	Y50-G53 PolarHBondContact O-N 3.06Å; R51-G53 PolarHBondContact O-N 3.07Å
54	R	98	Very high	98.1	Very high	164 Å²	164	82.8 Å²	82.8	62%	0.619	40%	0.401	S	S	*	.			trans	-64.6	141.4	173.3	-69.5	-176.3	-67.6	168.7	-4.6	110.1	T49 Y50 D52	T49-R54 WeakPolarHBondContact CA-O 3.31Å; Y50-R54 HydrophobicContact CD2-CB 4.03Å; Y50-R54 WeakPolarHBondContact CD2-O 3.4Å; Y50-R54 PolarHBondContact N-O 2.86Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 VanDerWaalsContact CG-NE 3.32Å; D52-R54 PolarHBondContact O-N 3.38Å; D52-R54 VanDerWaalsContact OD1-CB 3.3Å; D52-R54 WeakPolarHBondContact OD1-CB 3.5Å; D52-R54 WeakPolarHBondContact OD1-CG 3.44Å; D52-R54 PolarHBondContact OD1-N 2.85Å; D52-R54 IonicContact OD1-NE 2.72Å; D52-R54 PolarHBondContact OD1-NE 2.77Å; D52-R54 IonicContact OD2-CZ 3.82Å; D52-R54 IonicContact OD2-NE 3.91Å; D52-R54 PolarHBondContact OD2-NE 3Å; D52-R54 IonicContact OD2-NH2 3.02Å; D52-R54 PolarHBondContact OD2-NH2 3.25Å
55	V	98.4	Very high	98	Very high	89 Å²	89	82.5 Å²	82.5	54%	0.539	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.1	177.3	180	0	0	0	0	109.1	T47 V48 T49	T47-V55 HydrophobicContact CG2-CG1 3.49Å; T47-V55 VanDerWaalsContact CG2-CG1 3.49Å; V48-V55 VanDerWaalsContact O-CA 3.27Å; V48-V55 WeakPolarHBondContact O-CA 3.38Å; T49-V55 HydrophobicContact CG2-CG2 4.31Å
56	A	98.3	Very high	98	Very high	33 Å²	33	79.9 Å²	79.9	27%	0.273	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.9	173.3	0	0	0	0	0	111	V48 Y50	V48-A56 HydrophobicContact CG1-CB 3.82Å; V48-A56 WeakPolarHBondContact CG1-O 3.48Å; V48-A56 PolarHBondContact N-O 2.75Å; V48-A56 PolarHBondContact O-N 3Å; Y50-A56 HydrophobicContact CE2-CB 3.9Å
57	Q	98.4	Very high	98	Very high	132 Å²	132	85.7 Å²	85.7	62%	0.617	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	135	171.1	-61.8	-63	-18.2	0	0	109	I46 T47	I46-Q57 CarbonylContact O-C 3.57Å; I46-Q57 WeakPolarHBondContact O-CA 3.23Å; I46-Q57 PolarHBondContact O-OE1 3.39Å; T47-Q57 VanDerWaalsContact OG1-CD 3.31Å; T47-Q57 PolarHBondContact OG1-NE2 3.01Å; T47-Q57 PolarHBondContact OG1-OE1 3.34Å
58	L	98.1	Very high	98	Very high	54 Å²	54	84.5 Å²	84.5	28%	0.283	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.1	177.5	-57.1	174.2	0	0	0	108.5	Y28 I46 V48 V61	Y28-L58 HydrophobicContact CE1-CD1 4.21Å; I46-L58 HydrophobicContact CB-CB 4.36Å; I46-L58 HydrophobicContact CD1-CB 4.3Å; I46-L58 WeakPolarHBondContact CD1-O 3.3Å; I46-L58 PolarHBondContact N-O 3.14Å; I46-L58 PolarHBondContact O-N 3.06Å; V48-L58 HydrophobicContact CB-CD1 4.18Å; V48-L58 HydrophobicContact CG1-CD1 3.75Å; V48-L58 HydrophobicContact CG1-CG 4.04Å; L58-V61 HydrophobicContact CB-CG2 3.88Å; L58-V61 HydrophobicContact CD1-CG2 3.44Å; L58-V61 VanDerWaalsContact CD1-CG2 3.44Å; L58-V61 HydrophobicContact CG-CG2 4.3Å
59	E	98.2	Very high	98	Very high	165 Å²	165	90.5 Å²	90.5	77%	0.771	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	-44.1	179.5	-66.1	-175.3	173.4	0	0	111.9	S44 N45	S44-E59 CarbonylContact C-O 3.53Å; S44-E59 WeakPolarHBondContact CA-O 3.39Å; N45-E59 PolarHBondContact N-O 2.81Å
60	Q	98.2	Very high	98	Very high	126 Å²	126	91.9 Å²	91.9	59%	0.589	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.2	-178	-67.4	-69.4	-19.3	0	0	110.2	M43 S44	M43-Q60 WeakPolarHBondContact O-CA 3.39Å; M43-Q60 PolarHBondContact O-OE1 2.99Å; S44-Q60 VanDerWaalsContact CB-NE2 3.3Å
61	V	98.1	Very high	98	Very high	28 Å²	28	90.2 Å²	90.2	17%	0.17	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140	174.6	173.2	0	0	0	0	109.7	Y28 M43 I46 L58 I63	Y28-V61 HydrophobicContact CD1-CG1 4.31Å; Y28-V61 HydrophobicContact CD1-CG2 4.46Å; Y28-V61 HydrophobicContact CE1-CG1 4.17Å; Y28-V61 HydrophobicContact CE1-CG2 4.41Å; M43-V61 PolarHBondContact N-O 2.9Å; M43-V61 PolarHBondContact O-N 3.02Å; I46-V61 HydrophobicContact CD1-CB 4.09Å; I46-V61 HydrophobicContact CD1-CG2 3.89Å; I46-V61 HydrophobicContact CG1-CG2 4.42Å; L58-V61 HydrophobicContact CB-CG2 3.88Å; L58-V61 HydrophobicContact CD1-CG2 3.44Å; L58-V61 VanDerWaalsContact CD1-CG2 3.44Å; L58-V61 HydrophobicContact CG-CG2 4.3Å; V61-I63 HydrophobicContact CG1-CD1 4.23Å; V61-I63 HydrophobicContact CG1-CG1 3.52Å
62	Y	98.4	Very high	98.1	Very high	122 Å²	122	84.7 Å²	84.7	48%	0.478	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.1	165.4	-172.9	-87.4	0	0	0	109.6	E36 N40 Q42	E36-Y62 PolarHBondContact OE1-OH 2.95Å; N40-Y62 HydrophobicContact CB-CE1 4.18Å; N40-Y62 HydrophobicContact CB-CE2 4.32Å; N40-Y62 VanDerWaalsContact CB-OH 3.23Å; N40-Y62 WeakPolarHBondContact CB-OH 3.35Å; N40-Y62 VanDerWaalsContact CG-OH 3.23Å; N40-Y62 PolarHBondContact ND2-OH 3.17Å; Q42-Y62 HydrophobicContact CG-CD2 3.51Å; Q42-Y62 HydrophobicContact CG-CE2 3.96Å
63	I	98.2	Very high	98.2	Very high	10 Å²	10	82.1 Å²	82.1	5%	0.051	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.9	178	-51.1	-177.7	0	0	0	108.6	C20 T22 Y28 N40 C41 M43 V61 G65 I68	C20-I63 HydrophobicContact CB-CD1 4.14Å; T22-I63 HydrophobicContact CG2-CG2 4.45Å; Y28-I63 HydrophobicContact CD1-CD1 4.18Å; Y28-I63 HydrophobicContact CD2-CD1 3.8Å; Y28-I63 HydrophobicContact CE2-CD1 4.35Å; Y28-I63 HydrophobicContact CG-CD1 3.71Å; N40-I63 CarbonylContact C-O 3.54Å; N40-I63 WeakPolarHBondContact CA-O 3.48Å; C41-I63 PolarHBondContact N-O 2.91Å; C41-I63 PolarHBondContact O-N 3Å; M43-I63 HydrophobicContact SD-CD1 3.85Å; V61-I63 HydrophobicContact CG1-CD1 4.23Å; V61-I63 HydrophobicContact CG1-CG1 3.52Å; I63-G65 PolarHBondContact O-N 2.78Å; I63-I68 HydrophobicContact CG2-CD1 4.32Å; I63-I68 HydrophobicContact CG2-CG1 3.86Å
64	R	98.4	Very high	98.2	Very high	152 Å²	152	81 Å²	81	57%	0.574	38%	0.382	S	S	*	.			trans	-65.7	130.2	173	-177.6	-179.6	173	90.3	-0.9	110.2	N40 S66 K67	N40-R64 VanDerWaalsContact OD1-CA 3.3Å; N40-R64 WeakPolarHBondContact OD1-CA 3.49Å; R64-S66 WeakPolarHBondContact CD-OG 3.38Å; R64-S66 PolarHBondContact NE-OG 2.78Å; R64-S66 PolarHBondContact O-N 3.14Å; R64-S66 VanDerWaalsContact O-N 3.14Å; R64-K67 HydrophobicContact CB-CG 4.36Å; R64-K67 WeakPolarHBondContact O-CB 3.25Å; R64-K67 PolarHBondContact O-N 3.44Å
65	G	98.2	Very high	98.1	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.01	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-56.8	-34.4	-176.3	0	0	0	0	0	114.2	M39 N40 I63 K67 I68	M39-G65 WeakPolarHBondContact O-CA 3.09Å; N40-G65 PolarHBondContact OD1-N 2.9Å; I63-G65 PolarHBondContact O-N 2.78Å; G65-K67 PolarHBondContact O-N 2.95Å; G65-I68 WeakPolarHBondContact O-CB 3.37Å; G65-I68 PolarHBondContact O-N 2.81Å
66	S	98.3	Very high	97.9	Very high	69 Å²	69	80.9 Å²	80.9	48%	0.483	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-67.4	-6.4	175.6	74.3	0	0	0	0	114.6	N23 R64	N23-S66 PolarHBondContact ND2-O 3.32Å; N23-S66 VanDerWaalsContact ND2-O 3.17Å; R64-S66 WeakPolarHBondContact CD-OG 3.38Å; R64-S66 PolarHBondContact NE-OG 2.78Å; R64-S66 PolarHBondContact O-N 3.14Å; R64-S66 VanDerWaalsContact O-N 3.14Å
67	K	98.3	Very high	97.6	Very high	121 Å²	121	80.1 Å²	80.1	53%	0.526	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-102	-5.8	175	-61.3	-61.9	-173.8	176.9	0	112.5	T22 N23 R64 G65	T22-K67 CarbonylContact C-O 3.59Å; T22-K67 WeakPolarHBondContact CA-O 3.25Å; T22-K67 WeakPolarHBondContact CB-O 3.42Å; N23-K67 PolarHBondContact N-O 3.35Å; R64-K67 HydrophobicContact CB-CG 4.36Å; R64-K67 WeakPolarHBondContact O-CB 3.25Å; R64-K67 PolarHBondContact O-N 3.44Å; G65-K67 PolarHBondContact O-N 2.95Å
68	I	98.4	Very high	97.3	Very high	19 Å²	19	80.8 Å²	80.8	10%	0.097	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.7	-179.3	-57.9	-176.8	0	0	0	109.6	M39 C41 I63 G65 L71	M39-I68 VanDerWaalsContact O-CD1 3.23Å; M39-I68 WeakPolarHBondContact O-CD1 3.39Å; C41-I68 HydrophobicContact CB-CD1 4.44Å; I63-I68 HydrophobicContact CG2-CD1 4.32Å; I63-I68 HydrophobicContact CG2-CG1 3.86Å; G65-I68 WeakPolarHBondContact O-CB 3.37Å; G65-I68 PolarHBondContact O-N 2.81Å; I68-L71 HydrophobicContact CD1-CD1 4.25Å; I68-L71 HydrophobicContact CG2-CD1 4Å; I68-L71 HydrophobicContact CG2-CG 3.93Å
69	R	98.1	Very high	96.8	Very high	126 Å²	126	83 Å²	83	48%	0.475	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-52.8	172.4	-174.9	-177.1	-69.3	162.6	-0.9	110.6	E21 N23	E21-R69 WeakPolarHBondContact O-CB 3.23Å; E21-R69 PolarHBondContact O-N 3.24Å; E21-R69 WeakPolarHBondContact OE1-CD 3.45Å; E21-R69 IonicContact OE1-CZ 3.34Å; E21-R69 IonicContact OE1-NE 3.29Å; E21-R69 IonicContact OE1-NH1 2.6Å; E21-R69 PolarHBondContact OE1-NH1 3.35Å; N23-R69 VanDerWaalsContact C-NH2 3.34Å; N23-R69 PolarHBondContact O-NH2 2.79Å; N23-R69 WeakPolarHBondContact OD1-CA 3.21Å; N23-R69 PolarHBondContact OD1-N 2.82Å
70	F	98.3	Very high	96.3	Very high	83 Å²	83	75.4 Å²	75.4	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.5	172.4	65	-98.4	0	0	0	111.3	E21 I72	E21-F70 HydrophobicContact CB-CD1 4.2Å; E21-F70 HydrophobicContact CB-CD2 4.45Å; E21-F70 HydrophobicContact CB-CE1 3.78Å; E21-F70 HydrophobicContact CB-CE2 4.04Å; E21-F70 HydrophobicContact CB-CZ 3.69Å; E21-F70 HydrophobicContact CG-CE1 4.1Å; E21-F70 HydrophobicContact CG-CZ 4.25Å; E21-F70 PolarHBondContact N-O 3.41Å; E21-F70 VanDerWaalsContact N-O 3.07Å; E21-F70 VanDerWaalsContact OE2-CE1 3.22Å; E21-F70 WeakPolarHBondContact OE2-CE1 3.3Å; E21-F70 WeakPolarHBondContact OE2-CZ 3.48Å; F70-I72 HydrophobicContact CD2-CG1 4.05Å; F70-I72 HydrophobicContact CE2-CD1 4Å; F70-I72 HydrophobicContact CE2-CG1 3.83Å
71	L	98.3	Very high	95.6	Very high	42 Å²	42	73.1 Å²	73.1	22%	0.22	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.2	173.6	-73.8	145.2	0	0	0	109.3	L10 V18 T19 C20 I68 L73	L10-L71 HydrophobicContact CD1-CD1 3.79Å; L10-L71 HydrophobicContact CD2-CD1 4.16Å; V18-L71 HydrophobicContact CG2-CD2 4.43Å; T19-L71 CarbonylContact O-C 3.39Å; T19-L71 VanDerWaalsContact O-CA 3.3Å; T19-L71 WeakPolarHBondContact O-CA 3.5Å; C20-L71 HydrophobicContact CB-CD2 3.63Å; I68-L71 HydrophobicContact CD1-CD1 4.25Å; I68-L71 HydrophobicContact CG2-CD1 4Å; I68-L71 HydrophobicContact CG2-CG 3.93Å; L71-L73 HydrophobicContact CB-CD2 3.97Å
72	I	98.4	Very high	94.9	Very high	95 Å²	95	74.7 Å²	74.7	49%	0.487	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.5	167.1	-53	176.4	0	0	0	107	V18 T19 F70	V18-I72 WeakPolarHBondContact CA-O 3.21Å; T19-I72 PolarHBondContact N-O 2.92Å; T19-I72 PolarHBondContact O-N 3.11Å; F70-I72 HydrophobicContact CD2-CG1 4.05Å; F70-I72 HydrophobicContact CE2-CD1 4Å; F70-I72 HydrophobicContact CE2-CG1 3.83Å
73	L	97.9	Very high	94.1	Very high	43 Å²	43	72 Å²	72	23%	0.225	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-102	162.7	-178.6	-48.1	-179	0	0	0	110.6	V9 L10 A13 V18 L71 L77	V9-L73 HydrophobicContact CG1-CD1 3.86Å; L10-L73 HydrophobicContact CD1-CD2 4.09Å; A13-L73 HydrophobicContact CB-CB 4.34Å; A13-L73 HydrophobicContact CB-CD1 4.17Å; A13-L73 HydrophobicContact CB-CD2 3.75Å; A13-L73 HydrophobicContact CB-CG 4.3Å; V18-L73 HydrophobicContact CB-CD2 4.42Å; V18-L73 HydrophobicContact CG1-CD2 3.9Å; L71-L73 HydrophobicContact CB-CD2 3.97Å; L73-L77 HydrophobicContact CB-CD1 3.83Å; L73-L77 HydrophobicContact CD1-CD1 4.03Å
74	P	97.6	Very high	93	Very high	27 Å²	27	77.6 Å²	77.6	18%	0.175	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-57.7	139	177	-24.2	32.1	0	0	0	113.5	H16 M76 L77	H16-P74 HydrophobicContact CB-CG 3.37Å; P74-M76 HydrophobicContact CB-CG 3.87Å; P74-M76 HydrophobicContact CB-SD 4.23Å; P74-M76 PolarHBondContact O-N 3.3Å; P74-L77 WeakPolarHBondContact O-CB 3.47Å; P74-L77 PolarHBondContact O-N 2.61Å
75	D	95.4	Very high	91.3	Very high	133 Å²	133	73.9 Å²	73.9	71%	0.711	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.1	-26.2	-178.3	-76.3	-11.7	0	0	0	114.3	L77 K78	D75-L77 PolarHBondContact O-N 3.19Å; D75-K78 WeakPolarHBondContact O-CB 3.37Å; D75-K78 VanDerWaalsContact O-CD 3.23Å; D75-K78 WeakPolarHBondContact O-CD 3.34Å; D75-K78 WeakPolarHBondContact O-CG 3.3Å; D75-K78 PolarHBondContact O-N 2.93Å; D75-K78 VanDerWaalsContact O-N 3.13Å
76	M	93.9	Very high	89.4	Confident	117 Å²	117	79.2 Å²	79.2	58%	0.576	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-58.3	-27.5	176	61	-161.5	-85.9	0	0	112.8	H16 P74 K78 N79	H16-M76 WeakPolarHBondContact NE2-CE 3.24Å; P74-M76 HydrophobicContact CB-CG 3.87Å; P74-M76 HydrophobicContact CB-SD 4.23Å; P74-M76 PolarHBondContact O-N 3.3Å; M76-K78 PolarHBondContact O-N 2.5Å; M76-N79 PolarHBondContact O-N 3.29Å
77	L	93.5	Very high	87.4	Confident	18 Å²	18	84.2 Å²	84.2	9%	0.094	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-72	-10.4	179.5	-60.7	-175.6	0	0	0	113.7	V9 E12 A13 L73 P74 D75 N79 A80 L83	V9-L77 HydrophobicContact CG1-CB 4.45Å; V9-L77 HydrophobicContact CG1-CD1 4.39Å; E12-L77 HydrophobicContact CB-CD2 3.87Å; A13-L77 HydrophobicContact CB-CD1 3.59Å; L73-L77 HydrophobicContact CB-CD1 3.83Å; L73-L77 HydrophobicContact CD1-CD1 4.03Å; P74-L77 WeakPolarHBondContact O-CB 3.47Å; P74-L77 PolarHBondContact O-N 2.61Å; D75-L77 PolarHBondContact O-N 3.19Å; L77-N79 PolarHBondContact O-N 2.79Å; L77-A80 WeakPolarHBondContact O-CB 3.14Å; L77-A80 PolarHBondContact O-N 3.4Å; L77-L83 VanDerWaalsContact O-CD1 3.32Å; L77-L83 WeakPolarHBondContact O-CD1 3.23Å
78	K	90.9	Very high	85.5	Confident	146 Å²	146	84.3 Å²	84.3	64%	0.635	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-57.8	-22.9	170.9	76.3	-165.8	171.1	-173.5	0	113.1	D75 M76	D75-K78 WeakPolarHBondContact O-CB 3.37Å; D75-K78 VanDerWaalsContact O-CD 3.23Å; D75-K78 WeakPolarHBondContact O-CD 3.34Å; D75-K78 WeakPolarHBondContact O-CG 3.3Å; D75-K78 PolarHBondContact O-N 2.93Å; D75-K78 VanDerWaalsContact O-N 3.13Å; M76-K78 PolarHBondContact O-N 2.5Å
79	N	87.8	Confident	83.5	Confident	99 Å²	99	91.1 Å²	91.1	53%	0.529	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-98.1	2.5	179.4	-64.7	-43	0	0	0	113.4	M76 L77 K84	M76-N79 PolarHBondContact O-N 3.29Å; L77-N79 PolarHBondContact O-N 2.79Å; N79-K84 VanDerWaalsContact O-CE 3.28Å; N79-K84 WeakPolarHBondContact O-CE 3.33Å; N79-K84 PolarHBondContact O-NZ 2.92Å
80	A	87.5	Confident	81.4	Confident	7 Å²	7	92.8 Å²	92.8	6%	0.058	47%	0.468	C	S	.	.			trans	-54.5	136.2	-177.3	0	0	0	0	0	110.8	L77 M82 L83	L77-A80 WeakPolarHBondContact O-CB 3.14Å; L77-A80 PolarHBondContact O-N 3.4Å; A80-M82 PolarHBondContact O-N 3.44Å; A80-M82 VanDerWaalsContact O-N 3.09Å; A80-L83 PolarHBondContact O-N 2.86Å
81	P	83.7	Confident	79.3	Confident	77 Å²	77	96.5 Å²	96.5	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-58.2	-29.9	-175	22.5	-32.9	0	0	0	112.5	L83 K84	P81-L83 VanDerWaalsContact C-N 3.28Å; P81-L83 PolarHBondContact O-N 3.14Å; P81-K84 PolarHBondContact O-N 2.89Å; P81-K84 VanDerWaalsContact O-N 3.14Å
82	M	83	Confident	77	Confident	61 Å²	61	97.3 Å²	97.3	30%	0.3	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-30.9	178.9	-59.1	-57.9	110.7	0	0	113.1	V5 K8 V9 A80	V5-M82 HydrophobicContact CG1-CB 4Å; K8-M82 HydrophobicContact CB-CG 4.05Å; K8-M82 HydrophobicContact CD-CG 4.23Å; K8-M82 HydrophobicContact CD-SD 3.76Å; V9-M82 HydrophobicContact CG2-CB 4.21Å; A80-M82 PolarHBondContact O-N 3.44Å; A80-M82 VanDerWaalsContact O-N 3.09Å
83	L	82.7	Confident	74.7	Confident	65 Å²	65	99 Å²	99	34%	0.34	53%	0.525	S	S	.	.	H	α-helix	trans	-76.4	-23.2	176.7	-64.7	176.7	0	0	0	112.6	V5 V9 L77 A80 P81	V5-L83 HydrophobicContact CG1-CD2 4.13Å; V9-L83 HydrophobicContact CG2-CD2 4.07Å; V9-L83 HydrophobicContact CG2-CG 4.09Å; L77-L83 VanDerWaalsContact O-CD1 3.32Å; L77-L83 WeakPolarHBondContact O-CD1 3.23Å; A80-L83 PolarHBondContact O-N 2.86Å; P81-L83 VanDerWaalsContact C-N 3.28Å; P81-L83 PolarHBondContact O-N 3.14Å
84	K	75.1	Confident	72.4	Confident	129 Å²	129	100.1 Å²	100.1	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-74.4	-30.9	-178.6	-64.1	178.6	-178.2	169.8	0	112.7	N79 P81 M86 K87	N79-K84 VanDerWaalsContact O-CE 3.28Å; N79-K84 WeakPolarHBondContact O-CE 3.33Å; N79-K84 PolarHBondContact O-NZ 2.92Å; P81-K84 PolarHBondContact O-N 2.89Å; P81-K84 VanDerWaalsContact O-N 3.14Å; K84-M86 PolarHBondContact O-N 2.9Å; K84-K87 PolarHBondContact O-N 2.7Å
85	S	61.6	Low	70.3	Confident	73 Å²	73	101.9 Å²	101.9	51%	0.51	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-25.1	-176.6	-169.1	0	0	0	0	113.6
86	M	58.7	Low	68.4	Low	114 Å²	114	98.2 Å²	98.2	56%	0.562	56%	0.557	S	S	*	*	H	α-helix	trans	-73.7	-28.8	178.5	-76	-166.6	-101	0	0	113.4	V5 K84 N88	V5-M86 HydrophobicContact CB-CE 3.79Å; V5-M86 HydrophobicContact CG1-CE 3.55Å; V5-M86 HydrophobicContact CG2-CE 4.04Å; K84-M86 PolarHBondContact O-N 2.9Å; M86-N88 VanDerWaalsContact C-N 3.29Å; M86-N88 PolarHBondContact O-N 2.93Å
87	K	57.4	Low	66.6	Low	174 Å²	174	103.7 Å²	103.7	76%	0.757	57%	0.572	S	S	*	*	H	α-helix	trans	-69.5	-25.7	-178.1	-70.4	-172.2	177.1	-177.7	0	113.2	K84	K84-K87 PolarHBondContact O-N 2.7Å
88	N	56.6	Low	65	Low	122 Å²	122	104.4 Å²	104.4	65%	0.652	58%	0.583	S	S	*	*	H	α-helix	trans	-96.5	-12.2	-172.8	-74	10.9	0	0	0	114.8	M86 N90 Q91 G92	M86-N88 VanDerWaalsContact C-N 3.29Å; M86-N88 PolarHBondContact O-N 2.93Å; N88-N90 PolarHBondContact O-N 3.01Å; N88-Q91 PolarHBondContact O-N 2.85Å; N88-G92 PolarHBondContact O-N 2.86Å
89	K	56.5	Low	63.6	Low	163 Å²	163	104.8 Å²	104.8	71%	0.709	58%	0.584	S	S	*	*	H	α-helix	trans	-72.7	-26.6	179.8	-79.4	-174.5	178.8	-179.6	0	113.4	Q91	K89-Q91 VanDerWaalsContact C-N 3.34Å; K89-Q91 PolarHBondContact O-N 2.93Å
90	N	55.6	Low	62.5	Low	160 Å²	160	103.1 Å²	103.1	86%	0.856	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	4.3	176.8	-80.8	10.3	0	0	0	114.9	N88	N88-N90 PolarHBondContact O-N 3.01Å
91	Q	53.1	Low	61.6	Low	162 Å²	162	105.5 Å²	105.5	76%	0.757	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	-5.3	175.1	-71.7	-168.2	0.5	0	0	114.7	N88 K89	N88-Q91 PolarHBondContact O-N 2.85Å; K89-Q91 VanDerWaalsContact C-N 3.34Å; K89-Q91 PolarHBondContact O-N 2.93Å
92	G	49.8	Very low	60.9	Low	59 Å²	59	106.4 Å²	106.4	61%	0.608	60%	0.604	S	S	*	*	S	Bend	trans	-101	-18.3	-166.2	0	0	0	0	0	117.8	N88 G94	N88-G92 PolarHBondContact O-N 2.86Å; G92-G94 PolarHBondContact O-N 2.85Å
93	S	50.9	Low	60.3	Low	130 Å²	130	108.6 Å²	108.6	91%	0.909	62%	0.616	S	S	*	*	S	Bend	trans	-86.4	-1.6	-169.8	-169.9	0	0	0	0	115.6
94	G	50.5	Low	59.8	Low	67 Å²	67	113.3 Å²	113.3	69%	0.691	63%	0.634	S	S	*	*	S	Bend	trans	-149.9	-19	-175.7	0	0	0	0	0	117.3	G92	G92-G94 PolarHBondContact O-N 2.85Å
95	A	53.4	Low	59.7	Low	64 Å²	64	109.9 Å²	109.9	53%	0.529	63%	0.63	S	S	.	*	S	Bend	trans	-97.6	-19	-168.2	0	0	0	0	0	115.2
96	G	54.9	Low	60.1	Low	55 Å²	55	112.2 Å²	112.2	57%	0.567	63%	0.633	S	S	*	*	H	α-helix	trans	-85.7	-33.6	-174.8	0	0	0	0	0	115.1
97	R	55.9	Low	60.6	Low	233 Å²	233	112 Å²	112	88%	0.879	64%	0.637	S	S	*	*	H	α-helix	trans	-70.5	-34.8	178.5	-106.2	-180	173.9	131.6	-2	112.2	A101	R97-A101 VanDerWaalsContact O-CB 3.25Å; R97-A101 WeakPolarHBondContact O-CB 3.23Å; R97-A101 PolarHBondContact O-N 2.88Å; R97-A101 VanDerWaalsContact O-N 3.17Å
98	G	58.7	Low	61.2	Low	32 Å²	32	106.7 Å²	106.7	33%	0.33	63%	0.626	S	S	.	*	H	α-helix	trans	-67.1	-47.5	179.1	0	0	0	0	0	112.9	A100 A101 I102	G98-A100 PolarHBondContact O-N 3.49Å; G98-A101 PolarHBondContact O-N 3.49Å; G98-I102 WeakPolarHBondContact O-CB 3.45Å; G98-I102 WeakPolarHBondContact O-CD1 3.37Å; G98-I102 WeakPolarHBondContact O-CG1 3.37Å; G98-I102 PolarHBondContact O-N 3.47Å
99	K	63	Low	61.5	Low	154 Å²	154	104.3 Å²	104.3	67%	0.67	62%	0.624	S	S	*	*	H	α-helix	trans	-66.4	-41	-176.6	-75.4	-174.7	176.8	-179.9	0	113.1	I102 L103	K99-I102 PolarHBondContact O-N 2.84Å; K99-L103 WeakPolarHBondContact O-CB 3.27Å; K99-L103 WeakPolarHBondContact O-CD1 3.38Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 2.98Å
100	A	63.6	Low	61.7	Low	64 Å²	64	107.8 Å²	107.8	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-66.1	-39	174.9	0	0	0	0	0	111.8	G98 K104	G98-A100 PolarHBondContact O-N 3.49Å; A100-K104 WeakPolarHBondContact O-CB 3.35Å; A100-K104 PolarHBondContact O-N 2.93Å
101	A	68.7	Low	61.8	Low	58 Å²	58	103.5 Å²	103.5	48%	0.479	63%	0.626	S	S	.	*	H	α-helix	trans	-68.4	-40.6	175.3	0	0	0	0	0	112.6	R97 G98 K104 A105	R97-A101 VanDerWaalsContact O-CB 3.25Å; R97-A101 WeakPolarHBondContact O-CB 3.23Å; R97-A101 PolarHBondContact O-N 2.88Å; R97-A101 VanDerWaalsContact O-N 3.17Å; G98-A101 PolarHBondContact O-N 3.49Å; A101-K104 PolarHBondContact O-N 3.02Å; A101-A105 WeakPolarHBondContact O-CB 3.23Å; A101-A105 PolarHBondContact O-N 2.88Å
102	I	69.6	Low	61.8	Low	96 Å²	96	107 Å²	107	49%	0.492	63%	0.632	S	S	.	*	H	α-helix	trans	-67.8	-43.6	177.6	-68	163.4	0	0	0	110.5	G98 K99 A105 Q106	G98-I102 WeakPolarHBondContact O-CB 3.45Å; G98-I102 WeakPolarHBondContact O-CD1 3.37Å; G98-I102 WeakPolarHBondContact O-CG1 3.37Å; G98-I102 PolarHBondContact O-N 3.47Å; K99-I102 PolarHBondContact O-N 2.84Å; I102-A105 PolarHBondContact O-N 2.91Å; I102-Q106 HydrophobicContact CG2-CG 4.41Å; I102-Q106 WeakPolarHBondContact O-CB 3.35Å; I102-Q106 WeakPolarHBondContact O-CG 3.41Å; I102-Q106 PolarHBondContact O-N 3.29Å
103	L	71	Confident	61.8	Low	106 Å²	106	107.4 Å²	107.4	56%	0.555	64%	0.636	S	S	*	*	H	α-helix	trans	-63.6	-43.1	174.4	-80.8	159.3	0	0	0	111.2	K99 A105 Q106 V107	K99-L103 WeakPolarHBondContact O-CB 3.27Å; K99-L103 WeakPolarHBondContact O-CD1 3.38Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 2.98Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-A105 PolarHBondContact O-N 2.88Å; L103-Q106 PolarHBondContact O-N 2.89Å; L103-V107 WeakPolarHBondContact O-CB 3.36Å; L103-V107 VanDerWaalsContact O-CG2 3.27Å; L103-V107 WeakPolarHBondContact O-CG2 3.45Å; L103-V107 PolarHBondContact O-N 3.04Å
104	K	71.3	Confident	61.6	Low	165 Å²	165	113.5 Å²	113.5	72%	0.717	64%	0.64	S	S	*	*	H	α-helix	trans	-66.1	-37.8	176.7	-160.9	171.5	-167.9	176.1	0	111.8	A100 A101 A108	A100-K104 WeakPolarHBondContact O-CB 3.35Å; A100-K104 PolarHBondContact O-N 2.93Å; A101-K104 PolarHBondContact O-N 3.02Å; K104-A108 WeakPolarHBondContact O-CB 3.3Å; K104-A108 PolarHBondContact O-N 2.86Å
105	A	72.5	Confident	61.3	Low	57 Å²	57	113.3 Å²	113.3	47%	0.471	64%	0.638	S	S	.	*	H	α-helix	trans	-68.1	-40.4	174.3	0	0	0	0	0	112.1	A101 I102 L103 A108 A109	A101-A105 WeakPolarHBondContact O-CB 3.23Å; A101-A105 PolarHBondContact O-N 2.88Å; I102-A105 PolarHBondContact O-N 2.91Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-A105 PolarHBondContact O-N 2.88Å; A105-A108 PolarHBondContact O-N 2.85Å; A105-A109 WeakPolarHBondContact O-CB 3.39Å; A105-A109 PolarHBondContact O-N 2.79Å
106	Q	70.9	Confident	60.7	Low	122 Å²	122	119.9 Å²	119.9	57%	0.57	66%	0.66	S	S	*	*	H	α-helix	trans	-66.2	-41.6	175.6	-79.7	179.8	-14.2	0	0	111.8	I102 L103 A109 R110	I102-Q106 HydrophobicContact CG2-CG 4.41Å; I102-Q106 WeakPolarHBondContact O-CB 3.35Å; I102-Q106 WeakPolarHBondContact O-CG 3.41Å; I102-Q106 PolarHBondContact O-N 3.29Å; L103-Q106 PolarHBondContact O-N 2.89Å; Q106-A109 PolarHBondContact O-N 3.12Å; Q106-R110 WeakPolarHBondContact O-CB 3.47Å; Q106-R110 PolarHBondContact O-N 2.93Å
107	V	69.6	Low	60.4	Low	108 Å²	108	120.5 Å²	120.5	66%	0.655	67%	0.666	S	S	*	*	H	α-helix	trans	-67.2	-42	175.6	173.1	0	0	0	0	111	L103 R110 G111	L103-V107 WeakPolarHBondContact O-CB 3.36Å; L103-V107 VanDerWaalsContact O-CG2 3.27Å; L103-V107 WeakPolarHBondContact O-CG2 3.45Å; L103-V107 PolarHBondContact O-N 3.04Å; V107-R110 PolarHBondContact O-N 2.83Å; V107-G111 PolarHBondContact O-N 2.71Å
108	A	69.6	Low	60	Low	64 Å²	64	121.5 Å²	121.5	53%	0.529	67%	0.67	S	S	.	*	H	α-helix	trans	-66.4	-37.1	176	0	0	0	0	0	112.7	K104 A105 G111	K104-A108 WeakPolarHBondContact O-CB 3.3Å; K104-A108 PolarHBondContact O-N 2.86Å; A105-A108 PolarHBondContact O-N 2.85Å; A108-G111 PolarHBondContact O-N 2.72Å
109	A	62	Low	59.3	Low	72 Å²	72	123.1 Å²	123.1	60%	0.595	69%	0.687	S	S	*	*	H	α-helix	trans	-69.8	-35.5	176.5	0	0	0	0	0	112.2	A105 Q106 G111 R112	A105-A109 WeakPolarHBondContact O-CB 3.39Å; A105-A109 PolarHBondContact O-N 2.79Å; Q106-A109 PolarHBondContact O-N 3.12Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.87Å; A109-R112 PolarHBondContact O-N 3.18Å
110	R	60.3	Low	58.9	Low	236 Å²	236	123.1 Å²	123.1	89%	0.891	69%	0.694	S	S	*	*	H	α-helix	trans	-72	-19.6	177.3	-134.1	165.8	179.1	158.1	-2.2	113.3	Q106 V107	Q106-R110 WeakPolarHBondContact O-CB 3.47Å; Q106-R110 PolarHBondContact O-N 2.93Å; V107-R110 PolarHBondContact O-N 2.83Å
111	G	58.2	Low	58.5	Low	70 Å²	70	125.8 Å²	125.8	72%	0.722	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-8.1	177.6	0	0	0	0	0	115.8	V107 A108 A109	V107-G111 PolarHBondContact O-N 2.71Å; A108-G111 PolarHBondContact O-N 2.72Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 2.87Å
112	R	53.9	Low	57.8	Low	234 Å²	234	131.5 Å²	131.5	88%	0.883	71%	0.712	S	S	*	*	S	Bend	trans	-115.1	9.6	-170	-135.4	174.1	-176.7	138.6	-0.1	115.4	A109	A109-R112 PolarHBondContact O-N 3.18Å
113	G	48.5	Very low	57	Low	68 Å²	68	135.1 Å²	135.1	70%	0.701	73%	0.727	S	S	*	*			trans	-99.9	13.5	-174.6	0	0	0	0	0	116.9
114	R	47	Very low	56.1	Low	259 Å²	259	139.7 Å²	139.7	98%	0.977	74%	0.743	S	S	*	*			trans	-105	57.4	-179.9	-142.1	173.4	-174.4	160	-0.3	111.5
115	G	44.3	Very low	54.9	Low	63 Å²	63	143.4 Å²	143.4	65%	0.649	75%	0.752	S	S	*	*			trans	-131.6	138.3	165	0	0	0	0	0	107.9
116	M	41.9	Very low	54	Low	201 Å²	201	156 Å²	156	99%	0.99	79%	0.787	S	S	*	*			trans	93.6	94.5	175.9	-145.5	72.7	102	0	0	115.4
117	G	49.1	Very low	53.1	Low	68 Å²	68	157.7 Å²	157.7	70%	0.701	80%	0.798	S	S	*	*			trans	179.1	99.7	165.5	0	0	0	0	0	113.8
118	R	46.2	Very low	52.3	Low	255 Å²	255	160.3 Å²	160.3	96%	0.962	81%	0.806	S	S	*	*			trans	69.2	119.4	158.3	-66.7	174.2	162.2	163.1	-5.7	115.6
119	G	44.8	Very low	51.3	Low	66 Å²	66	165.6 Å²	165.6	68%	0.68	82%	0.821	S	S	*	*			cis	98.5	137.9	42.3	0	0	0	0	0	108.1
120	N	54.2	Low	50.7	Low	153 Å²	153	171.1 Å²	171.1	82%	0.818	83%	0.834	S	S	*	*			trans	79.3	138.5	-177.5	-67.9	2.7	0	0	0	114.8
121	I	55.5	Low	50.1	Low	121 Å²	121	167.1 Å²	167.1	62%	0.621	83%	0.831	S	S	*	*			cis	-179.1	140.3	-1.7	-115.4	161.9	0	0	0	103.1
122	F	53.5	Low	49.5	Very low	177 Å²	177	173.5 Å²	173.5	78%	0.776	84%	0.838	S	S	*	*			trans	58.9	146	154.1	-77.4	-128.4	0	0	0	117.2
123	Q	53.6	Low	49.2	Very low	173 Å²	173	169.2 Å²	169.2	81%	0.808	84%	0.835	S	S	*	*			cis	-160	156.1	25.6	-142.3	156.6	1.3	0	0	109
124	K	51.9	Low	49.3	Very low	202 Å²	202	177 Å²	177	88%	0.878	85%	0.845	S	S	*	*			trans	-51.6	142.1	-177.5	-104.5	168.3	170	174.9	0	115.2
125	R	45.2	Very low	49.5	Very low	243 Å²	243	170.2 Å²	170.2	92%	0.917	83%	0.834	S	S	*	*			trans	-23.7	123.6	146.5	-66.1	172.9	153.2	159.3	-6.4	115.3
126	R	53.4	Low	49.9	Very low	320 Å²	320	179.9 Å²	179.9	100%	1.208	85%	0.851	S	S	*	*				-152.3	0	119.7	-117.4	-174.4	-178.4	-175.7	0.6	109.1

Retrieved 126 of 126 residues in 21.3 ms (Link to these results)

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