A0A060XZM9_ONCMY Loading...

Small nuclear ribonucleoprotein Sm D1

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. May act as a charged protein scaffold to promote snRNP assembly or strengthen snRNP-snRNP interactions through non-specific electrostatic contacts with RNA.

AlphaFold DB (Q8JHH1), UniProt , Accession A0A060XZM9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene snrpd1, Length 119 aa.

						>A0A060XZM9_ONCMY|A0A060XZM9|snrpd1
MKLVRFLMKLSHETVTIELKNGTQVHGTITGVDVSMNTHLKAVKMTLKNREPTQLESLSIRGNNIRYFILPDSLPLDTLLVDIEPKVKSKKREAVAGRGRGRGRGRGRGRGRGRGGPRR
					

Structure Viewer

Loading PAE data...

(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	67.4	Low	91.8	Very high	159 Å²	159	74.5 Å²	74.5	78%	0.783	36%	0.355	S	S	*	.				0	107.1	0	-49.6	-34.6	-169.6	0	0	111.1	L80 D82	M1-L80 WeakPolarHBondContact CE-O 3.08Å; M1-D82 WeakPolarHBondContact CA-OD2 3.24Å; M1-D82 PolarHBondContact N-OD2 3.37Å; M1-D82 HydrophobicContact SD-CB 4.42Å; M1-D82 VanDerWaalsContact SD-OD2 3.41Å
2	K	86.4	Confident	92.3	Very high	137 Å²	137	80 Å²	80	60%	0.596	38%	0.38	S	S	*	.			trans	-100.8	113	167.2	-68.3	-171.9	177.9	-172.3	0	108.2	V4 R5 F6	K2-V4 PolarHBondContact O-N 2.87Å; K2-V4 VanDerWaalsContact O-N 3.1Å; K2-R5 HydrophobicContact CB-CB 4.31Å; K2-R5 HydrophobicContact CB-CG 4.02Å; K2-R5 WeakPolarHBondContact O-CA 3.4Å; K2-R5 WeakPolarHBondContact O-CB 3.31Å; K2-R5 PolarHBondContact O-N 2.83Å; K2-F6 PolarHBondContact O-N 2.8Å
3	L	92.4	Very high	92.7	Very high	117 Å²	117	78.5 Å²	78.5	61%	0.613	37%	0.373	S	S	*	.	H	α-helix	trans	-43.9	-46.8	-178.9	173.1	63.1	0	0	0	112.9	R5 F6 L7	L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 2.86Å; L3-F6 WeakPolarHBondContact O-CB 3.43Å; L3-F6 PolarHBondContact O-N 3.02Å; L3-F6 VanDerWaalsContact O-N 3.07Å; L3-L7 HydrophobicContact CD1-CD1 4.5Å; L3-L7 HydrophobicContact CD1-CG 4.35Å; L3-L7 HydrophobicContact CG-CD1 4.32Å; L3-L7 PolarHBondContact O-N 3.16Å
4	V	94	Very high	93.1	Very high	39 Å²	39	76.9 Å²	76.9	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-41.8	179.1	-179.7	0	0	0	0	111.9	K2 F6 L7 M8 V34 M36	K2-V4 PolarHBondContact O-N 2.87Å; K2-V4 VanDerWaalsContact O-N 3.1Å; V4-F6 VanDerWaalsContact C-N 3.29Å; V4-F6 PolarHBondContact O-N 3.34Å; V4-L7 PolarHBondContact O-N 2.78Å; V4-M8 HydrophobicContact CG1-CG 4.41Å; V4-M8 HydrophobicContact CG1-SD 4.31Å; V4-M8 VanDerWaalsContact O-CG 3.23Å; V4-M8 WeakPolarHBondContact O-CG 3.4Å; V4-M8 PolarHBondContact O-N 2.94Å; V4-V34 WeakPolarHBondContact CG1-O 3.45Å; V4-M36 HydrophobicContact CG2-CG 3.88Å; V4-M36 HydrophobicContact CG2-SD 4.28Å
5	R	93.4	Very high	93.5	Very high	131 Å²	131	71.9 Å²	71.9	49%	0.494	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-35.3	177.2	-70.6	-173.1	173.5	-170.3	-3.8	112.3	K2 L3 K9	K2-R5 HydrophobicContact CB-CB 4.31Å; K2-R5 HydrophobicContact CB-CG 4.02Å; K2-R5 WeakPolarHBondContact O-CA 3.4Å; K2-R5 WeakPolarHBondContact O-CB 3.31Å; K2-R5 PolarHBondContact O-N 2.83Å; L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 2.86Å; R5-K9 WeakPolarHBondContact O-CG 3.46Å; R5-K9 PolarHBondContact O-N 2.97Å
6	F	95.3	Very high	93.8	Very high	25 Å²	25	69.5 Å²	69.5	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-49	173	165.4	-98.4	0	0	0	110.6	K2 L3 V4 M8 K9 L10 L70 L74 L76 L79 L80	K2-F6 PolarHBondContact O-N 2.8Å; L3-F6 WeakPolarHBondContact O-CB 3.43Å; L3-F6 PolarHBondContact O-N 3.02Å; L3-F6 VanDerWaalsContact O-N 3.07Å; V4-F6 VanDerWaalsContact C-N 3.29Å; V4-F6 PolarHBondContact O-N 3.34Å; F6-M8 VanDerWaalsContact C-N 3.28Å; F6-M8 PolarHBondContact O-N 2.92Å; F6-K9 WeakPolarHBondContact O-CB 3.19Å; F6-K9 PolarHBondContact O-N 2.87Å; F6-L10 HydrophobicContact CE1-CD1 4.12Å; F6-L10 HydrophobicContact CE1-CD2 4.32Å; F6-L10 HydrophobicContact CE1-CG 4.49Å; F6-L10 HydrophobicContact CE2-CD2 4.29Å; F6-L10 HydrophobicContact CZ-CD2 3.95Å; F6-L70 HydrophobicContact CE1-CD1 3.97Å; F6-L70 HydrophobicContact CZ-CD1 3.8Å; F6-L74 HydrophobicContact CZ-CD2 4.27Å; F6-L76 HydrophobicContact CE2-CD2 3.99Å; F6-L76 HydrophobicContact CZ-CD2 3.79Å; F6-L79 HydrophobicContact CD2-CB 3.91Å; F6-L79 HydrophobicContact CE2-CB 3.68Å; F6-L79 HydrophobicContact CE2-CD1 4.26Å; F6-L80 HydrophobicContact CD2-CD2 3.7Å; F6-L80 HydrophobicContact CD2-CG 4.3Å; F6-L80 HydrophobicContact CE2-CD2 4.03Å; F6-L80 HydrophobicContact CE2-CG 4.35Å; F6-L80 HydrophobicContact CG-CD2 4.15Å
7	L	96.7	Very high	94.1	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-37.1	177.9	-63.2	177.8	0	0	0	112.6	L3 V4 K9 L10 V32 M36 F68	L3-L7 HydrophobicContact CD1-CD1 4.5Å; L3-L7 HydrophobicContact CD1-CG 4.35Å; L3-L7 HydrophobicContact CG-CD1 4.32Å; L3-L7 PolarHBondContact O-N 3.16Å; V4-L7 PolarHBondContact O-N 2.78Å; L7-K9 PolarHBondContact O-N 3.34Å; L7-L10 HydrophobicContact CD2-CD1 3.74Å; L7-L10 WeakPolarHBondContact O-CB 2.96Å; L7-L10 PolarHBondContact O-N 2.86Å; L7-L10 VanDerWaalsContact O-N 3.07Å; L7-V32 HydrophobicContact CB-CB 4.47Å; L7-V32 HydrophobicContact CB-CG1 4.04Å; L7-V32 HydrophobicContact CB-CG2 4.48Å; L7-V32 WeakPolarHBondContact O-CG2 3.46Å; L7-M36 HydrophobicContact CD1-CG 4.21Å; L7-M36 HydrophobicContact CD1-SD 4.04Å; L7-F68 HydrophobicContact CD1-CD2 4.44Å; L7-F68 HydrophobicContact CD1-CE2 3.79Å; L7-F68 HydrophobicContact CD1-CZ 4.2Å; L7-F68 HydrophobicContact CD2-CD2 4Å; L7-F68 HydrophobicContact CD2-CE2 4Å; L7-F68 HydrophobicContact CD2-CG 4.3Å; L7-F68 HydrophobicContact CD2-CZ 4.28Å
8	M	96.1	Very high	94.3	Very high	82 Å²	82	63.1 Å²	63.1	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-28.1	174.1	-69.3	178.9	76.4	0	0	113.2	V4 F6 L10 S11 V32	V4-M8 HydrophobicContact CG1-CG 4.41Å; V4-M8 HydrophobicContact CG1-SD 4.31Å; V4-M8 VanDerWaalsContact O-CG 3.23Å; V4-M8 WeakPolarHBondContact O-CG 3.4Å; V4-M8 PolarHBondContact O-N 2.94Å; F6-M8 VanDerWaalsContact C-N 3.28Å; F6-M8 PolarHBondContact O-N 2.92Å; M8-L10 VanDerWaalsContact C-N 3.32Å; M8-S11 PolarHBondContact O-OG 2.8Å; M8-V32 WeakPolarHBondContact CG-O 3.46Å
9	K	95.5	Very high	94.6	Very high	82 Å²	82	60.9 Å²	60.9	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-78.8	-13.2	176.8	-63.8	173.4	-175.8	-178.4	0	113.3	R5 F6 L7 S11 L79 V81	R5-K9 WeakPolarHBondContact O-CG 3.46Å; R5-K9 PolarHBondContact O-N 2.97Å; F6-K9 WeakPolarHBondContact O-CB 3.19Å; F6-K9 PolarHBondContact O-N 2.87Å; L7-K9 PolarHBondContact O-N 3.34Å; K9-S11 PolarHBondContact O-N 2.82Å; K9-L79 HydrophobicContact CB-CD2 3.95Å; K9-L79 HydrophobicContact CD-CD2 4.25Å; K9-L79 WeakPolarHBondContact CD-O 3.48Å; K9-L79 PolarHBondContact NZ-O 2.81Å; K9-V81 PolarHBondContact NZ-O 2.79Å
10	L	96.8	Very high	94.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.309	C	S	.	.			trans	-76	19.3	-179.9	-55.8	-178.8	0	0	0	113.4	F6 L7 M8 H12 E13 I29 L70 L74 L79	F6-L10 HydrophobicContact CE1-CD1 4.12Å; F6-L10 HydrophobicContact CE1-CD2 4.32Å; F6-L10 HydrophobicContact CE1-CG 4.49Å; F6-L10 HydrophobicContact CE2-CD2 4.29Å; F6-L10 HydrophobicContact CZ-CD2 3.95Å; L7-L10 HydrophobicContact CD2-CD1 3.74Å; L7-L10 WeakPolarHBondContact O-CB 2.96Å; L7-L10 PolarHBondContact O-N 2.86Å; L7-L10 VanDerWaalsContact O-N 3.07Å; M8-L10 VanDerWaalsContact C-N 3.32Å; L10-H12 PolarHBondContact O-N 2.82Å; L10-E13 HydrophobicContact CB-CB 4.38Å; L10-E13 HydrophobicContact CB-CG 4.4Å; L10-E13 WeakPolarHBondContact O-CB 3.26Å; L10-E13 PolarHBondContact O-N 2.89Å; L10-E13 VanDerWaalsContact O-N 3.17Å; L10-I29 HydrophobicContact CB-CD1 3.76Å; L10-I29 HydrophobicContact CD1-CD1 4.38Å; L10-I29 WeakPolarHBondContact O-CB 3.15Å; L10-L70 HydrophobicContact CD1-CD2 3.63Å; L10-L74 HydrophobicContact CD2-CD1 4.22Å; L10-L74 HydrophobicContact CD2-CD2 3.65Å; L10-L79 HydrophobicContact CD2-CD1 4.06Å
11	S	96	Very high	94.9	Very high	40 Å²	40	66.2 Å²	66.2	28%	0.28	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	136.1	176.6	-63	0	0	0	0	109.6	M8 K9 E13	M8-S11 PolarHBondContact O-OG 2.8Å; K9-S11 PolarHBondContact O-N 2.82Å; S11-E13 PolarHBondContact O-N 2.83Å
12	H	97.1	Very high	96.4	Very high	141 Å²	141	59.6 Å²	59.6	65%	0.653	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	0.7	-175.3	-43.8	-62.2	0	0	0	115.9	L10 T28 I29	L10-H12 PolarHBondContact O-N 2.82Å; H12-T28 WeakPolarHBondContact O-CG2 3.05Å; H12-I29 WeakPolarHBondContact CA-O 3.39Å; H12-I29 PolarHBondContact N-O 2.99Å
13	E	97.9	Very high	96.9	Very high	61 Å²	61	53.2 Å²	53.2	29%	0.285	27%	0.267	S	S	.	.			trans	-81.9	141.2	173.5	-62.2	-62.9	164.6	0	0	111.2	L10 S11 V15 T28 I29 L74	L10-E13 HydrophobicContact CB-CB 4.38Å; L10-E13 HydrophobicContact CB-CG 4.4Å; L10-E13 WeakPolarHBondContact O-CB 3.26Å; L10-E13 PolarHBondContact O-N 2.89Å; L10-E13 VanDerWaalsContact O-N 3.17Å; S11-E13 PolarHBondContact O-N 2.83Å; E13-V15 HydrophobicContact CB-CG1 4.46Å; E13-T28 WeakPolarHBondContact O-CA 3.26Å; E13-I29 PolarHBondContact O-N 3.42Å; E13-L74 HydrophobicContact CG-CD1 3.65Å
14	T	98.3	Very high	97.2	Very high	55 Å²	55	52 Å²	52	34%	0.337	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123	173.7	-60.9	0	0	0	0	109.4	G27 T28	T14-G27 WeakPolarHBondContact CA-O 3.4Å; T14-T28 PolarHBondContact OG1-OG1 2.79Å
15	V	98.6	Very high	97.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.9	-173.7	-58.6	0	0	0	0	110.5	E13 I17 H26 G27 I29 L40 F68 L70	E13-V15 HydrophobicContact CB-CG1 4.46Å; V15-I17 HydrophobicContact CG2-CD1 4.12Å; V15-I17 HydrophobicContact CG2-CG1 3.81Å; V15-H26 WeakPolarHBondContact O-CA 3.24Å; V15-H26 PolarHBondContact O-ND1 2.91Å; V15-G27 PolarHBondContact N-O 3.15Å; V15-G27 PolarHBondContact O-N 2.92Å; V15-I29 HydrophobicContact CB-CD1 4.42Å; V15-I29 HydrophobicContact CG1-CD1 3.81Å; V15-I29 HydrophobicContact CG1-CG1 4.47Å; V15-I29 HydrophobicContact CG2-CD1 3.69Å; V15-I29 HydrophobicContact CG2-CG1 3.74Å; V15-L40 HydrophobicContact CG2-CD2 4.29Å; V15-F68 HydrophobicContact CG2-CD1 4.32Å; V15-L70 HydrophobicContact CG1-CD2 4.15Å
16	T	98.7	Very high	97.7	Very high	34 Å²	34	48 Å²	48	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.8	162.4	-58.8	0	0	0	0	109	V25 H26 I69	T16-V25 CarbonylContact C-O 3.53Å; T16-V25 WeakPolarHBondContact CA-O 3.33Å; T16-H26 PolarHBondContact OG1-ND1 2.74Å; T16-I69 HydrophobicContact CG2-CD1 4.06Å; T16-I69 PolarHBondContact N-O 3.33Å; T16-I69 VanDerWaalsContact N-O 3.1Å; T16-I69 PolarHBondContact O-N 2.85Å
17	I	98.8	Very high	97.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.7	-179.7	-54.5	-178.2	0	0	0	108.1	V15 L19 Q24 V25 T38 L40 I60 I65 F68	V15-I17 HydrophobicContact CG2-CD1 4.12Å; V15-I17 HydrophobicContact CG2-CG1 3.81Å; I17-L19 HydrophobicContact CG2-CD2 3.96Å; I17-Q24 CarbonylContact O-C 3.59Å; I17-Q24 WeakPolarHBondContact O-CA 3.2Å; I17-V25 HydrophobicContact CB-CB 4.44Å; I17-V25 PolarHBondContact N-O 2.88Å; I17-V25 PolarHBondContact O-N 3.36Å; I17-T38 HydrophobicContact CD1-CG2 3.82Å; I17-L40 HydrophobicContact CD1-CD1 4.02Å; I17-L40 HydrophobicContact CD1-CD2 4.32Å; I17-I60 HydrophobicContact CD1-CD1 4.36Å; I17-I65 HydrophobicContact CG2-CB 4.45Å; I17-I65 HydrophobicContact CG2-CD1 4.48Å; I17-I65 HydrophobicContact CG2-CG1 4.17Å; I17-I65 HydrophobicContact CG2-CG2 3.71Å; I17-F68 HydrophobicContact CD1-CD1 3.88Å; I17-F68 HydrophobicContact CD1-CE1 3.56Å; I17-F68 HydrophobicContact CD1-CZ 4.33Å; I17-F68 HydrophobicContact CG1-CD1 3.8Å; I17-F68 HydrophobicContact CG1-CE1 4.02Å
18	E	98.6	Very high	98	Very high	24 Å²	24	47.7 Å²	47.7	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.7	168.8	-171.6	162.6	106.6	0	0	110.1	Q24 R66 Y67	E18-Q24 HydrophobicContact CG-CG 4.49Å; E18-Q24 PolarHBondContact OE2-NE2 2.74Å; E18-Q24 VanDerWaalsContact OE2-NE2 3.17Å; E18-R66 WeakPolarHBondContact O-CA 3.33Å; E18-R66 WeakPolarHBondContact O-CB 3.46Å; E18-R66 PolarHBondContact O-N 2.85Å; E18-R66 IonicContact OE1-CZ 3.59Å; E18-R66 IonicContact OE1-NE 3.98Å; E18-R66 IonicContact OE1-NH1 2.6Å; E18-R66 PolarHBondContact OE1-NH1 2.86Å; E18-Y67 HydrophobicContact CB-CD2 4.18Å; E18-Y67 HydrophobicContact CB-CE1 4Å; E18-Y67 HydrophobicContact CB-CE2 3.66Å; E18-Y67 VanDerWaalsContact CD-CZ 3.49Å; E18-Y67 HydrophobicContact CG-CE1 4.33Å; E18-Y67 PolarHBondContact N-O 3.07Å; E18-Y67 VanDerWaalsContact N-O 3.14Å; E18-Y67 PolarHBondContact O-N 2.82Å; E18-Y67 WeakPolarHBondContact OE1-CE1 3.46Å; E18-Y67 PolarHBondContact OE1-OH 3.01Å; E18-Y67 PolarHBondContact OE2-OH 3.2Å
19	L	98.7	Very high	98.1	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	158.6	176.8	-54.6	-170.4	0	0	0	111.2	I17 N21 G22 T23 V25 I60 N64 I65 R66	I17-L19 HydrophobicContact CG2-CD2 3.96Å; L19-N21 WeakPolarHBondContact CB-OD1 3.3Å; L19-N21 PolarHBondContact O-N 3.2Å; L19-N21 VanDerWaalsContact O-N 3.11Å; L19-G22 PolarHBondContact O-N 2.73Å; L19-T23 HydrophobicContact CD1-CG2 4.12Å; L19-T23 PolarHBondContact N-O 3.1Å; L19-V25 HydrophobicContact CD1-CG2 4.37Å; L19-V25 HydrophobicContact CG-CG2 4.49Å; L19-I60 HydrophobicContact CD1-CG2 4.39Å; L19-I60 HydrophobicContact CD2-CD1 4.23Å; L19-I60 HydrophobicContact CD2-CG2 3.62Å; L19-N64 CarbonylContact C-O 3.52Å; L19-N64 WeakPolarHBondContact CA-O 3.39Å; L19-I65 HydrophobicContact CD2-CG1 4.13Å; L19-R66 PolarHBondContact O-NH2 3.42Å
20	K	98.7	Very high	98.3	Very high	127 Å²	127	43.1 Å²	43.1	55%	0.552	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-179.9	-72.3	-179.9	179	174.7	0	114.2	G22 N63 N64 R66	K20-G22 VanDerWaalsContact C-N 3.3Å; K20-N63 WeakPolarHBondContact CD-O 3.2Å; K20-N63 WeakPolarHBondContact CE-O 3.37Å; K20-N63 PolarHBondContact NZ-O 3.07Å; K20-N64 PolarHBondContact N-O 3.31Å; K20-R66 VanDerWaalsContact C-NH2 3.28Å; K20-R66 HydrophobicContact CG-CB 4.48Å; K20-R66 PolarHBondContact O-NH2 3.14Å
21	N	97.7	Very high	98.3	Very high	106 Å²	106	43.9 Å²	43.9	57%	0.567	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	2.3	175.3	67.6	1.6	0	0	0	113.7	L19 T23	L19-N21 WeakPolarHBondContact CB-OD1 3.3Å; L19-N21 PolarHBondContact O-N 3.2Å; L19-N21 VanDerWaalsContact O-N 3.11Å; N21-T23 PolarHBondContact ND2-OG1 2.85Å; N21-T23 WeakPolarHBondContact OD1-CB 3.48Å; N21-T23 PolarHBondContact OD1-N 2.96Å; N21-T23 PolarHBondContact OD1-OG1 3.17Å
22	G	98.1	Very high	98.4	Very high	20 Å²	20	42.6 Å²	42.6	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	83.5	7.6	-176.8	0	0	0	0	0	114.8	L19 K20	L19-G22 PolarHBondContact O-N 2.73Å; K20-G22 VanDerWaalsContact C-N 3.3Å
23	T	98.6	Very high	98.4	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.025	21%	0.206	C	C	.	.			trans	-69.3	134.3	169.1	-57.6	0	0	0	0	109.3	L19 N21 V25 M45 T46 L47	L19-T23 HydrophobicContact CD1-CG2 4.12Å; L19-T23 PolarHBondContact N-O 3.1Å; N21-T23 PolarHBondContact ND2-OG1 2.85Å; N21-T23 WeakPolarHBondContact OD1-CB 3.48Å; N21-T23 PolarHBondContact OD1-N 2.96Å; N21-T23 PolarHBondContact OD1-OG1 3.17Å; T23-V25 HydrophobicContact CG2-CG2 4.11Å; T23-M45 HydrophobicContact CG2-CG 3.79Å; T23-M45 HydrophobicContact CG2-SD 4.26Å; T23-T46 WeakPolarHBondContact CA-O 3.45Å; T23-L47 HydrophobicContact CG2-CD2 3.84Å
24	Q	98.5	Very high	98.4	Very high	90 Å²	90	40.9 Å²	40.9	42%	0.421	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.7	172.9	-67.4	-177.8	-15.9	0	0	109.7	I17 E18 T46	I17-Q24 CarbonylContact O-C 3.59Å; I17-Q24 WeakPolarHBondContact O-CA 3.2Å; E18-Q24 HydrophobicContact CG-CG 4.49Å; E18-Q24 PolarHBondContact OE2-NE2 2.74Å; E18-Q24 VanDerWaalsContact OE2-NE2 3.17Å; Q24-T46 PolarHBondContact N-O 3.11Å; Q24-T46 PolarHBondContact O-N 2.8Å
25	V	98.8	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116.2	-179	-175.8	0	0	0	0	108.4	T16 I17 L19 T23 L40 V43 M45 L58 I60	T16-V25 CarbonylContact C-O 3.53Å; T16-V25 WeakPolarHBondContact CA-O 3.33Å; I17-V25 HydrophobicContact CB-CB 4.44Å; I17-V25 PolarHBondContact N-O 2.88Å; I17-V25 PolarHBondContact O-N 3.36Å; L19-V25 HydrophobicContact CD1-CG2 4.37Å; L19-V25 HydrophobicContact CG-CG2 4.49Å; T23-V25 HydrophobicContact CG2-CG2 4.11Å; V25-L40 HydrophobicContact CG1-CD1 3.91Å; V25-V43 HydrophobicContact CG1-CG1 3.46Å; V25-V43 VanDerWaalsContact CG1-CG1 3.46Å; V25-M45 HydrophobicContact CG2-CG 4.26Å; V25-L58 HydrophobicContact CG1-CD2 3.72Å; V25-L58 HydrophobicContact CG2-CD2 4.03Å; V25-I60 HydrophobicContact CB-CD1 4.17Å; V25-I60 HydrophobicContact CG1-CD1 4.12Å; V25-I60 HydrophobicContact CG2-CD1 3.94Å
26	H	98.8	Very high	98.3	Very high	86 Å²	86	45 Å²	45	40%	0.398	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.7	170.4	-178.3	78.3	0	0	0	109.2	V15 T16 V43 K44	V15-H26 WeakPolarHBondContact O-CA 3.24Å; V15-H26 PolarHBondContact O-ND1 2.91Å; T16-H26 PolarHBondContact OG1-ND1 2.74Å; H26-V43 CarbonylContact O-C 3.56Å; H26-V43 WeakPolarHBondContact O-CA 3.28Å; H26-K44 HydrophobicContact CB-CB 4.42Å; H26-K44 PolarHBondContact N-O 3.46Å; H26-K44 PolarHBondContact O-N 2.96Å
27	G	98.7	Very high	98.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	175.2	178.3	0	0	0	0	0	113.7	T14 V15	T14-G27 WeakPolarHBondContact CA-O 3.4Å; V15-G27 PolarHBondContact N-O 3.15Å; V15-G27 PolarHBondContact O-N 2.92Å
28	T	98.7	Very high	98.2	Very high	26 Å²	26	45.2 Å²	45.2	16%	0.16	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.9	179.8	-51.7	0	0	0	0	110.4	H12 E13 T14 T30 L40 K41	H12-T28 WeakPolarHBondContact O-CG2 3.05Å; E13-T28 WeakPolarHBondContact O-CA 3.26Å; T14-T28 PolarHBondContact OG1-OG1 2.79Å; T28-T30 PolarHBondContact O-N 2.85Å; T28-L40 CarbonylContact O-C 3.52Å; T28-L40 VanDerWaalsContact O-CA 3.24Å; T28-L40 WeakPolarHBondContact O-CA 3.37Å; T28-K41 PolarHBondContact N-O 3.29Å; T28-K41 PolarHBondContact O-N 2.89Å
29	I	98.7	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.8	178.3	-63.7	172.6	0	0	0	109.2	L10 H12 E13 V15 V32 T38 H39 L40 F68	L10-I29 HydrophobicContact CB-CD1 3.76Å; L10-I29 HydrophobicContact CD1-CD1 4.38Å; L10-I29 WeakPolarHBondContact O-CB 3.15Å; H12-I29 WeakPolarHBondContact CA-O 3.39Å; H12-I29 PolarHBondContact N-O 2.99Å; E13-I29 PolarHBondContact O-N 3.42Å; V15-I29 HydrophobicContact CB-CD1 4.42Å; V15-I29 HydrophobicContact CG1-CD1 3.81Å; V15-I29 HydrophobicContact CG1-CG1 4.47Å; V15-I29 HydrophobicContact CG2-CD1 3.69Å; V15-I29 HydrophobicContact CG2-CG1 3.74Å; I29-V32 HydrophobicContact CG2-CG2 3.93Å; I29-T38 HydrophobicContact CG1-CG2 4.18Å; I29-H39 CarbonylContact C-O 3.48Å; I29-H39 WeakPolarHBondContact CA-O 3.38Å; I29-L40 HydrophobicContact CG1-CD2 3.88Å; I29-F68 HydrophobicContact CD1-CE1 4.39Å
30	T	98.6	Very high	98.3	Very high	67 Å²	67	46.7 Å²	46.7	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-23.2	169.1	59.5	0	0	0	0	112.1	T28 H39 K41	T28-T30 PolarHBondContact O-N 2.85Å; T30-H39 PolarHBondContact N-O 2.97Å; T30-H39 VanDerWaalsContact OG1-C 3.31Å; T30-H39 WeakPolarHBondContact OG1-CB 3.18Å; T30-H39 PolarHBondContact OG1-O 3.05Å; T30-K41 HydrophobicContact CG2-CB 3.85Å; T30-K41 HydrophobicContact CG2-CD 3.79Å; T30-K41 HydrophobicContact CG2-CG 3.65Å
31	G	98.4	Very high	98.3	Very high	17 Å²	17	45.4 Å²	45.4	18%	0.175	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	157	173.4	0	0	0	0	0	112.2	H39	G31-H39 PolarHBondContact N-O 3.48Å; G31-H39 PolarHBondContact O-N 2.6Å
32	V	98.4	Very high	98.3	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.5	171.5	-175.7	0	0	0	0	108	L7 M8 I29 N37 T38	L7-V32 HydrophobicContact CB-CB 4.47Å; L7-V32 HydrophobicContact CB-CG1 4.04Å; L7-V32 HydrophobicContact CB-CG2 4.48Å; L7-V32 WeakPolarHBondContact O-CG2 3.46Å; M8-V32 WeakPolarHBondContact CG-O 3.46Å; I29-V32 HydrophobicContact CG2-CG2 3.93Å; V32-N37 VanDerWaalsContact CA-O 3.3Å; V32-N37 WeakPolarHBondContact CA-O 3.48Å; V32-T38 HydrophobicContact CG2-CG2 4.1Å
33	D	97.1	Very high	98.3	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.273	25%	0.245	S	C	.	.			trans	-100.4	179.1	177.1	77.2	18.4	0	0	0	113.5	S35 M36 N37	D33-S35 PolarHBondContact O-N 3Å; D33-S35 VanDerWaalsContact OD1-CA 3.28Å; D33-S35 WeakPolarHBondContact OD1-CA 3.35Å; D33-S35 WeakPolarHBondContact OD1-CB 3.3Å; D33-S35 PolarHBondContact OD1-N 2.9Å; D33-M36 WeakPolarHBondContact O-CA 3.44Å; D33-M36 PolarHBondContact O-N 3.5Å; D33-M36 PolarHBondContact OD1-N 2.73Å; D33-N37 PolarHBondContact N-O 3.33Å; D33-N37 WeakPolarHBondContact OD1-CB 3.43Å; D33-N37 PolarHBondContact OD1-N 3Å; D33-N37 PolarHBondContact OD1-ND2 3.14Å; D33-N37 VanDerWaalsContact OD2-CB 3.3Å; D33-N37 WeakPolarHBondContact OD2-CB 3.46Å; D33-N37 PolarHBondContact OD2-ND2 3.45Å
34	V	96.2	Very high	98.3	Very high	115 Å²	115	48.2 Å²	48.2	70%	0.697	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.9	-178.7	177.6	0	0	0	0	112.6	V4 M36	V4-V34 WeakPolarHBondContact CG1-O 3.45Å; V34-M36 PolarHBondContact O-N 3.17Å
35	S	97	Very high	98.3	Very high	80 Å²	80	45.7 Å²	45.7	56%	0.559	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	9.1	177.8	-58	0	0	0	0	112.7	D33 N37	D33-S35 PolarHBondContact O-N 3Å; D33-S35 VanDerWaalsContact OD1-CA 3.28Å; D33-S35 WeakPolarHBondContact OD1-CA 3.35Å; D33-S35 WeakPolarHBondContact OD1-CB 3.3Å; D33-S35 PolarHBondContact OD1-N 2.9Å; S35-N37 PolarHBondContact O-N 3.37Å
36	M	97.7	Very high	98.3	Very high	63 Å²	63	47.6 Å²	47.6	31%	0.31	27%	0.267	S	S	.	.			trans	59	22.6	-171.5	-52.6	-178	-65.6	0	0	113.4	V4 L7 D33 V34 T38 G62 I65	V4-M36 HydrophobicContact CG2-CG 3.88Å; V4-M36 HydrophobicContact CG2-SD 4.28Å; L7-M36 HydrophobicContact CD1-CG 4.21Å; L7-M36 HydrophobicContact CD1-SD 4.04Å; D33-M36 WeakPolarHBondContact O-CA 3.44Å; D33-M36 PolarHBondContact O-N 3.5Å; D33-M36 PolarHBondContact OD1-N 2.73Å; V34-M36 PolarHBondContact O-N 3.17Å; M36-T38 PolarHBondContact O-N 2.92Å; M36-T38 PolarHBondContact O-OG1 2.9Å; M36-G62 VanDerWaalsContact C-CA 3.43Å; M36-G62 WeakPolarHBondContact O-CA 3.23Å; M36-I65 WeakPolarHBondContact O-CD1 3.36Å
37	N	98.3	Very high	98.3	Very high	40 Å²	40	46.1 Å²	46.1	21%	0.214	26%	0.262	C	S	.	.			trans	-66.2	130	167.3	-53.4	-43.3	0	0	0	107.4	V32 D33 S35 I60 R61 G62	V32-N37 VanDerWaalsContact CA-O 3.3Å; V32-N37 WeakPolarHBondContact CA-O 3.48Å; D33-N37 PolarHBondContact N-O 3.33Å; D33-N37 WeakPolarHBondContact OD1-CB 3.43Å; D33-N37 PolarHBondContact OD1-N 3Å; D33-N37 PolarHBondContact OD1-ND2 3.14Å; D33-N37 VanDerWaalsContact OD2-CB 3.3Å; D33-N37 WeakPolarHBondContact OD2-CB 3.46Å; D33-N37 PolarHBondContact OD2-ND2 3.45Å; S35-N37 PolarHBondContact O-N 3.37Å; N37-I60 CarbonylContact C-O 3.58Å; N37-I60 WeakPolarHBondContact CA-O 3.36Å; N37-R61 VanDerWaalsContact OD1-CA 3.26Å; N37-R61 WeakPolarHBondContact OD1-CA 3.19Å; N37-R61 WeakPolarHBondContact OD1-CG 3.44Å; N37-G62 PolarHBondContact OD1-N 2.82Å
38	T	98.9	Very high	98.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.3	-173	-59	0	0	0	0	108.9	I17 I29 V32 M36 L40 I60 I65 F68	I17-T38 HydrophobicContact CD1-CG2 3.82Å; I29-T38 HydrophobicContact CG1-CG2 4.18Å; V32-T38 HydrophobicContact CG2-CG2 4.1Å; M36-T38 PolarHBondContact O-N 2.92Å; M36-T38 PolarHBondContact O-OG1 2.9Å; T38-L40 HydrophobicContact CG2-CD1 4.24Å; T38-L40 HydrophobicContact CG2-CD2 4.42Å; T38-L40 HydrophobicContact CG2-CG 4.08Å; T38-I60 PolarHBondContact N-O 3.26Å; T38-I60 PolarHBondContact O-N 2.9Å; T38-I65 WeakPolarHBondContact OG1-CD1 3.36Å; T38-F68 HydrophobicContact CG2-CE1 4.22Å; T38-F68 WeakPolarHBondContact OG1-CZ 3.38Å
39	H	98.8	Very high	97.9	Very high	72 Å²	72	58.8 Å²	58.8	33%	0.333	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.8	176	-56.6	-78.9	0	0	0	108.6	I29 T30 G31 S59	I29-H39 CarbonylContact C-O 3.48Å; I29-H39 WeakPolarHBondContact CA-O 3.38Å; T30-H39 PolarHBondContact N-O 2.97Å; T30-H39 VanDerWaalsContact OG1-C 3.31Å; T30-H39 WeakPolarHBondContact OG1-CB 3.18Å; T30-H39 PolarHBondContact OG1-O 3.05Å; G31-H39 PolarHBondContact N-O 3.48Å; G31-H39 PolarHBondContact O-N 2.6Å; H39-S59 WeakPolarHBondContact ND1-CB 3.36Å; H39-S59 PolarHBondContact ND1-OG 3.3Å
40	L	98.8	Very high	97.9	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.2	-176.4	-62.2	136.2	0	0	0	110.5	V15 I17 V25 T28 I29 T38 V43 S57 L58 I60	V15-L40 HydrophobicContact CG2-CD2 4.29Å; I17-L40 HydrophobicContact CD1-CD1 4.02Å; I17-L40 HydrophobicContact CD1-CD2 4.32Å; V25-L40 HydrophobicContact CG1-CD1 3.91Å; T28-L40 CarbonylContact O-C 3.52Å; T28-L40 VanDerWaalsContact O-CA 3.24Å; T28-L40 WeakPolarHBondContact O-CA 3.37Å; I29-L40 HydrophobicContact CG1-CD2 3.88Å; T38-L40 HydrophobicContact CG2-CD1 4.24Å; T38-L40 HydrophobicContact CG2-CD2 4.42Å; T38-L40 HydrophobicContact CG2-CG 4.08Å; L40-V43 HydrophobicContact CB-CG2 3.52Å; L40-S57 VanDerWaalsContact O-CA 3.31Å; L40-S57 WeakPolarHBondContact O-CA 3.37Å; L40-L58 PolarHBondContact N-O 2.72Å; L40-L58 PolarHBondContact O-N 3.1Å; L40-I60 HydrophobicContact CD1-CD1 3.57Å; L40-I60 HydrophobicContact CD1-CG1 4.27Å
41	K	98.7	Very high	97.8	Very high	101 Å²	101	71.4 Å²	71.4	44%	0.439	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	163.8	167.7	67	176.7	-178.7	173.4	0	110.8	T28 T30 E56	T28-K41 PolarHBondContact N-O 3.29Å; T28-K41 PolarHBondContact O-N 2.89Å; T30-K41 HydrophobicContact CG2-CB 3.85Å; T30-K41 HydrophobicContact CG2-CD 3.79Å; T30-K41 HydrophobicContact CG2-CG 3.65Å; K41-E56 CarbonylContact C-O 3.58Å; K41-E56 VanDerWaalsContact CA-O 3.26Å; K41-E56 WeakPolarHBondContact CA-O 3.45Å
42	A	98.5	Very high	97.8	Very high	74 Å²	74	73.3 Å²	73.3	61%	0.612	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.9	59.7	-179.3	0	0	0	0	0	111.4	E56	A42-E56 PolarHBondContact N-O 3.19Å
43	V	98.8	Very high	97.8	Very high	4 Å²	4	76.1 Å²	76.1	2%	0.024	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.6	-164.7	178.3	0	0	0	0	111.1	V25 H26 L40 M45 Q54 L55 L58	V25-V43 HydrophobicContact CG1-CG1 3.46Å; V25-V43 VanDerWaalsContact CG1-CG1 3.46Å; H26-V43 CarbonylContact O-C 3.56Å; H26-V43 WeakPolarHBondContact O-CA 3.28Å; L40-V43 HydrophobicContact CB-CG2 3.52Å; V43-M45 HydrophobicContact CG1-CB 4.41Å; V43-Q54 CarbonylContact O-C 3.54Å; V43-Q54 WeakPolarHBondContact O-CA 3.36Å; V43-L55 HydrophobicContact CB-CB 4.21Å; V43-L55 PolarHBondContact N-O 3Å; V43-L55 PolarHBondContact O-N 3.35Å; V43-L58 HydrophobicContact CB-CB 4.45Å; V43-L58 HydrophobicContact CG1-CB 4.22Å; V43-L58 HydrophobicContact CG1-CD2 4.04Å; V43-L58 HydrophobicContact CG2-CB 4.01Å
44	K	98.7	Very high	97.8	Very high	111 Å²	111	82.1 Å²	82.1	48%	0.483	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112	162.4	-178.2	179.9	179.8	179.9	0	108.4	H26 P52	H26-K44 HydrophobicContact CB-CB 4.42Å; H26-K44 PolarHBondContact N-O 3.46Å; H26-K44 PolarHBondContact O-N 2.96Å; K44-P52 HydrophobicContact CD-CB 4.36Å; K44-P52 VanDerWaalsContact CE-CB 3.4Å; K44-P52 HydrophobicContact CG-CB 4.03Å
45	M	98.6	Very high	97.9	Very high	37 Å²	37	79.4 Å²	79.4	18%	0.182	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.2	179.5	180	179.6	71.8	0	0	110.3	T23 V25 V43 L47 P52 T53 L55 L58	T23-M45 HydrophobicContact CG2-CG 3.79Å; T23-M45 HydrophobicContact CG2-SD 4.26Å; V25-M45 HydrophobicContact CG2-CG 4.26Å; V43-M45 HydrophobicContact CG1-CB 4.41Å; M45-L47 HydrophobicContact CE-CD2 4.15Å; M45-L47 HydrophobicContact CE-CG 4.23Å; M45-L47 HydrophobicContact SD-CD2 4.18Å; M45-P52 CarbonylContact O-C 3.59Å; M45-P52 WeakPolarHBondContact O-CA 3.48Å; M45-T53 PolarHBondContact N-O 3.17Å; M45-T53 PolarHBondContact O-N 3.36Å; M45-L55 HydrophobicContact CB-CD1 4.29Å; M45-L55 HydrophobicContact CE-CD1 4.06Å; M45-L55 HydrophobicContact SD-CD1 4.25Å; M45-L58 HydrophobicContact SD-CD2 4.39Å
46	T	98.5	Very high	98	Very high	39 Å²	39	84 Å²	84	24%	0.239	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	104.1	174.8	-52.7	0	0	0	0	108.4	T23 Q24 R50 P52	T23-T46 WeakPolarHBondContact CA-O 3.45Å; Q24-T46 PolarHBondContact N-O 3.11Å; Q24-T46 PolarHBondContact O-N 2.8Å; T46-R50 WeakPolarHBondContact CG2-O 2.98Å; T46-P52 HydrophobicContact CG2-CG 4.41Å
47	L	97.7	Very high	98.1	Very high	55 Å²	55	85 Å²	85	29%	0.288	43%	0.43	S	S	.	.			trans	-67.2	150.2	170.9	-61.8	174.1	0	0	0	109.1	T23 M45 N49 R50	T23-L47 HydrophobicContact CG2-CD2 3.84Å; M45-L47 HydrophobicContact CE-CD2 4.15Å; M45-L47 HydrophobicContact CE-CG 4.23Å; M45-L47 HydrophobicContact SD-CD2 4.18Å; L47-N49 PolarHBondContact O-N 3.2Å; L47-N49 VanDerWaalsContact O-N 3.16Å; L47-R50 HydrophobicContact CB-CB 4.09Å; L47-R50 HydrophobicContact CB-CG 4.24Å; L47-R50 PolarHBondContact O-N 2.79Å
48	K	95.8	Very high	98.1	Very high	136 Å²	136	85 Å²	85	59%	0.591	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	125.3	179.4	-173.9	179.1	-179.5	-177.8	0	110.6	R50	K48-R50 VanDerWaalsContact C-N 3.25Å; K48-R50 PolarHBondContact O-N 3.43Å
49	N	94.8	Very high	98.1	Very high	157 Å²	157	88.9 Å²	88.9	84%	0.84	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	30.1	179.6	-50.3	-22.7	0	0	0	114.3	L47	L47-N49 PolarHBondContact O-N 3.2Å; L47-N49 VanDerWaalsContact O-N 3.16Å
50	R	96.8	Very high	98	Very high	170 Å²	170	86 Å²	86	64%	0.642	44%	0.443	S	S	*	.	S	Bend	trans	-131.2	160.5	174.3	-60.9	-171.3	179.7	-177.9	-1.7	110.7	T46 L47 K48	T46-R50 WeakPolarHBondContact CG2-O 2.98Å; L47-R50 HydrophobicContact CB-CB 4.09Å; L47-R50 HydrophobicContact CB-CG 4.24Å; L47-R50 PolarHBondContact O-N 2.79Å; K48-R50 VanDerWaalsContact C-N 3.25Å; K48-R50 PolarHBondContact O-N 3.43Å
51	E	97.5	Very high	98	Very high	162 Å²	162	93.6 Å²	93.6	76%	0.757	47%	0.472	S	S	*	.			trans	-65.3	149.3	175.3	-67.7	-54.5	133	0	0	112.3
52	P	98.1	Very high	98	Very high	57 Å²	57	88.9 Å²	88.9	37%	0.37	45%	0.452	S	S	.	.			trans	-62.8	141.5	177.2	-20.5	32.2	0	0	0	112.7	K44 M45 T46	K44-P52 HydrophobicContact CD-CB 4.36Å; K44-P52 VanDerWaalsContact CE-CB 3.4Å; K44-P52 HydrophobicContact CG-CB 4.03Å; M45-P52 CarbonylContact O-C 3.59Å; M45-P52 WeakPolarHBondContact O-CA 3.48Å; T46-P52 HydrophobicContact CG2-CG 4.41Å
53	T	98.2	Very high	98	Very high	72 Å²	72	88.8 Å²	88.8	44%	0.442	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.6	174.2	-55.2	0	0	0	0	109.9	M45 L55	M45-T53 PolarHBondContact N-O 3.17Å; M45-T53 PolarHBondContact O-N 3.36Å; T53-L55 HydrophobicContact CG2-CD2 4.41Å
54	Q	98.5	Very high	98	Very high	177 Å²	177	92.2 Å²	92.2	83%	0.827	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	137	175.2	-64.4	-175.5	48.7	0	0	110.5	V43	V43-Q54 CarbonylContact O-C 3.54Å; V43-Q54 WeakPolarHBondContact O-CA 3.36Å
55	L	98.4	Very high	98	Very high	58 Å²	58	87.9 Å²	87.9	30%	0.304	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.8	176.5	-56.8	172.1	0	0	0	108.9	V43 M45 T53 L58	V43-L55 HydrophobicContact CB-CB 4.21Å; V43-L55 PolarHBondContact N-O 3Å; V43-L55 PolarHBondContact O-N 3.35Å; M45-L55 HydrophobicContact CB-CD1 4.29Å; M45-L55 HydrophobicContact CE-CD1 4.06Å; M45-L55 HydrophobicContact SD-CD1 4.25Å; T53-L55 HydrophobicContact CG2-CD2 4.41Å; L55-L58 HydrophobicContact CD1-CB 4.5Å; L55-L58 HydrophobicContact CD1-CD1 4.18Å
56	E	98.4	Very high	98	Very high	175 Å²	175	91.8 Å²	91.8	82%	0.818	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	-43.7	175.3	-174.8	-178.7	176.9	0	0	111.3	K41 A42	K41-E56 CarbonylContact C-O 3.58Å; K41-E56 VanDerWaalsContact CA-O 3.26Å; K41-E56 WeakPolarHBondContact CA-O 3.45Å; A42-E56 PolarHBondContact N-O 3.19Å
57	S	98.5	Very high	98	Very high	86 Å²	86	94.6 Å²	94.6	60%	0.601	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.9	177.7	64.5	0	0	0	0	111.9	L40	L40-S57 VanDerWaalsContact O-CA 3.31Å; L40-S57 WeakPolarHBondContact O-CA 3.37Å
58	L	98.6	Very high	98	Very high	38 Å²	38	93.8 Å²	93.8	20%	0.199	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138	174.6	-177.7	65.7	0	0	0	109.8	V25 L40 V43 M45 L55 I60	V25-L58 HydrophobicContact CG1-CD2 3.72Å; V25-L58 HydrophobicContact CG2-CD2 4.03Å; L40-L58 PolarHBondContact N-O 2.72Å; L40-L58 PolarHBondContact O-N 3.1Å; V43-L58 HydrophobicContact CB-CB 4.45Å; V43-L58 HydrophobicContact CG1-CB 4.22Å; V43-L58 HydrophobicContact CG1-CD2 4.04Å; V43-L58 HydrophobicContact CG2-CB 4.01Å; M45-L58 HydrophobicContact SD-CD2 4.39Å; L55-L58 HydrophobicContact CD1-CB 4.5Å; L55-L58 HydrophobicContact CD1-CD1 4.18Å; L58-I60 HydrophobicContact CD2-CD1 3.98Å; L58-I60 HydrophobicContact CD2-CG1 3.9Å; L58-I60 HydrophobicContact CG-CG1 3.99Å
59	S	98.6	Very high	98.2	Very high	82 Å²	82	91.3 Å²	91.3	57%	0.573	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.6	170.8	-60.9	0	0	0	0	109.6	H39	H39-S59 WeakPolarHBondContact ND1-CB 3.36Å; H39-S59 PolarHBondContact ND1-OG 3.3Å
60	I	98.7	Very high	98.3	Very high	11 Å²	11	86.2 Å²	86.2	6%	0.056	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	-176.3	-56.6	173.2	0	0	0	108.4	I17 L19 V25 N37 T38 L40 L58 I65	I17-I60 HydrophobicContact CD1-CD1 4.36Å; L19-I60 HydrophobicContact CD1-CG2 4.39Å; L19-I60 HydrophobicContact CD2-CD1 4.23Å; L19-I60 HydrophobicContact CD2-CG2 3.62Å; V25-I60 HydrophobicContact CB-CD1 4.17Å; V25-I60 HydrophobicContact CG1-CD1 4.12Å; V25-I60 HydrophobicContact CG2-CD1 3.94Å; N37-I60 CarbonylContact C-O 3.58Å; N37-I60 WeakPolarHBondContact CA-O 3.36Å; T38-I60 PolarHBondContact N-O 3.26Å; T38-I60 PolarHBondContact O-N 2.9Å; L40-I60 HydrophobicContact CD1-CD1 3.57Å; L40-I60 HydrophobicContact CD1-CG1 4.27Å; L58-I60 HydrophobicContact CD2-CD1 3.98Å; L58-I60 HydrophobicContact CD2-CG1 3.9Å; L58-I60 HydrophobicContact CG-CG1 3.99Å; I60-I65 HydrophobicContact CG2-CD1 4.17Å; I60-I65 HydrophobicContact CG2-CG1 3.71Å
61	R	98.7	Very high	98.3	Very high	164 Å²	164	79.8 Å²	79.8	62%	0.619	40%	0.4	S	S	*	.			trans	-70	130.9	172.7	-163.6	-176.7	167.9	-172.1	-1	110.5	N37 N63 N64	N37-R61 VanDerWaalsContact OD1-CA 3.26Å; N37-R61 WeakPolarHBondContact OD1-CA 3.19Å; N37-R61 WeakPolarHBondContact OD1-CG 3.44Å; R61-N63 VanDerWaalsContact C-N 3.29Å; R61-N63 WeakPolarHBondContact CD-OD1 3.36Å; R61-N63 WeakPolarHBondContact CG-OD1 3.43Å; R61-N63 PolarHBondContact NE-OD1 2.96Å; R61-N63 VanDerWaalsContact NE-OD1 3.14Å; R61-N63 PolarHBondContact O-N 3.18Å; R61-N64 WeakPolarHBondContact O-CB 3.44Å; R61-N64 PolarHBondContact O-N 3.09Å
62	G	98.5	Very high	98.2	Very high	2 Å²	2	80.3 Å²	80.3	2%	0.021	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-61.1	-32.7	-171.1	0	0	0	0	0	114.9	M36 N37 N64 I65	M36-G62 VanDerWaalsContact C-CA 3.43Å; M36-G62 WeakPolarHBondContact O-CA 3.23Å; N37-G62 PolarHBondContact OD1-N 2.82Å; G62-N64 PolarHBondContact O-N 3.43Å; G62-N64 VanDerWaalsContact O-N 3.17Å; G62-I65 WeakPolarHBondContact O-CB 3.49Å; G62-I65 PolarHBondContact O-N 3.38Å; G62-I65 VanDerWaalsContact O-N 3.1Å
63	N	98.2	Very high	98.1	Very high	72 Å²	72	82.9 Å²	82.9	39%	0.385	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-67.3	-14.1	176.5	76.3	-47.8	0	0	0	113.8	K20 R61	K20-N63 WeakPolarHBondContact CD-O 3.2Å; K20-N63 WeakPolarHBondContact CE-O 3.37Å; K20-N63 PolarHBondContact NZ-O 3.07Å; R61-N63 VanDerWaalsContact C-N 3.29Å; R61-N63 WeakPolarHBondContact CD-OD1 3.36Å; R61-N63 WeakPolarHBondContact CG-OD1 3.43Å; R61-N63 PolarHBondContact NE-OD1 2.96Å; R61-N63 VanDerWaalsContact NE-OD1 3.14Å; R61-N63 PolarHBondContact O-N 3.18Å
64	N	98.5	Very high	97.9	Very high	76 Å²	76	80 Å²	80	41%	0.406	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-91.5	-11.2	176	-65.9	-29.8	0	0	0	112.7	L19 K20 R61 G62	L19-N64 CarbonylContact C-O 3.52Å; L19-N64 WeakPolarHBondContact CA-O 3.39Å; K20-N64 PolarHBondContact N-O 3.31Å; R61-N64 WeakPolarHBondContact O-CB 3.44Å; R61-N64 PolarHBondContact O-N 3.09Å; G62-N64 PolarHBondContact O-N 3.43Å; G62-N64 VanDerWaalsContact O-N 3.17Å
65	I	98.6	Very high	97.7	Very high	19 Å²	19	75 Å²	75	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.3	178.7	-59.7	177.1	0	0	0	109.3	I17 L19 M36 T38 I60 G62 F68	I17-I65 HydrophobicContact CG2-CB 4.45Å; I17-I65 HydrophobicContact CG2-CD1 4.48Å; I17-I65 HydrophobicContact CG2-CG1 4.17Å; I17-I65 HydrophobicContact CG2-CG2 3.71Å; L19-I65 HydrophobicContact CD2-CG1 4.13Å; M36-I65 WeakPolarHBondContact O-CD1 3.36Å; T38-I65 WeakPolarHBondContact OG1-CD1 3.36Å; I60-I65 HydrophobicContact CG2-CD1 4.17Å; I60-I65 HydrophobicContact CG2-CG1 3.71Å; G62-I65 WeakPolarHBondContact O-CB 3.49Å; G62-I65 PolarHBondContact O-N 3.38Å; G62-I65 VanDerWaalsContact O-N 3.1Å; I65-F68 HydrophobicContact CD1-CE2 4.2Å; I65-F68 HydrophobicContact CD1-CZ 3.85Å; I65-F68 HydrophobicContact CG2-CD2 4.16Å; I65-F68 HydrophobicContact CG2-CE2 3.77Å; I65-F68 HydrophobicContact CG2-CZ 4.35Å
66	R	98.6	Very high	97.5	Very high	120 Å²	120	75.9 Å²	75.9	45%	0.453	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-56.1	172.6	-168.6	-175.9	-67.7	165.9	-1.9	110.4	E18 L19 K20	E18-R66 WeakPolarHBondContact O-CA 3.33Å; E18-R66 WeakPolarHBondContact O-CB 3.46Å; E18-R66 PolarHBondContact O-N 2.85Å; E18-R66 IonicContact OE1-CZ 3.59Å; E18-R66 IonicContact OE1-NE 3.98Å; E18-R66 IonicContact OE1-NH1 2.6Å; E18-R66 PolarHBondContact OE1-NH1 2.86Å; L19-R66 PolarHBondContact O-NH2 3.42Å; K20-R66 VanDerWaalsContact C-NH2 3.28Å; K20-R66 HydrophobicContact CG-CB 4.48Å; K20-R66 PolarHBondContact O-NH2 3.14Å
67	Y	98.5	Very high	97.1	Very high	97 Å²	97	74.4 Å²	74.4	38%	0.38	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.5	175.7	55	-103.2	0	0	0	111.4	E18 I69	E18-Y67 HydrophobicContact CB-CD2 4.18Å; E18-Y67 HydrophobicContact CB-CE1 4Å; E18-Y67 HydrophobicContact CB-CE2 3.66Å; E18-Y67 VanDerWaalsContact CD-CZ 3.49Å; E18-Y67 HydrophobicContact CG-CE1 4.33Å; E18-Y67 PolarHBondContact N-O 3.07Å; E18-Y67 VanDerWaalsContact N-O 3.14Å; E18-Y67 PolarHBondContact O-N 2.82Å; E18-Y67 WeakPolarHBondContact OE1-CE1 3.46Å; E18-Y67 PolarHBondContact OE1-OH 3.01Å; E18-Y67 PolarHBondContact OE2-OH 3.2Å; Y67-I69 HydrophobicContact CD2-CG1 3.99Å; Y67-I69 HydrophobicContact CE2-CD1 4.04Å; Y67-I69 HydrophobicContact CE2-CG1 3.75Å
68	F	98.4	Very high	96.7	Very high	38 Å²	38	75.3 Å²	75.3	17%	0.167	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.5	169.9	-65.1	-107.3	0	0	0	108.7	L7 V15 I17 I29 T38 I65 L70	L7-F68 HydrophobicContact CD1-CD2 4.44Å; L7-F68 HydrophobicContact CD1-CE2 3.79Å; L7-F68 HydrophobicContact CD1-CZ 4.2Å; L7-F68 HydrophobicContact CD2-CD2 4Å; L7-F68 HydrophobicContact CD2-CE2 4Å; L7-F68 HydrophobicContact CD2-CG 4.3Å; L7-F68 HydrophobicContact CD2-CZ 4.28Å; V15-F68 HydrophobicContact CG2-CD1 4.32Å; I17-F68 HydrophobicContact CD1-CD1 3.88Å; I17-F68 HydrophobicContact CD1-CE1 3.56Å; I17-F68 HydrophobicContact CD1-CZ 4.33Å; I17-F68 HydrophobicContact CG1-CD1 3.8Å; I17-F68 HydrophobicContact CG1-CE1 4.02Å; I29-F68 HydrophobicContact CD1-CE1 4.39Å; T38-F68 HydrophobicContact CG2-CE1 4.22Å; T38-F68 WeakPolarHBondContact OG1-CZ 3.38Å; I65-F68 HydrophobicContact CD1-CE2 4.2Å; I65-F68 HydrophobicContact CD1-CZ 3.85Å; I65-F68 HydrophobicContact CG2-CD2 4.16Å; I65-F68 HydrophobicContact CG2-CE2 3.77Å; I65-F68 HydrophobicContact CG2-CZ 4.35Å; F68-L70 HydrophobicContact CB-CD2 4.06Å
69	I	98.3	Very high	96.4	Very high	84 Å²	84	74.8 Å²	74.8	43%	0.431	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.2	164.3	-48.9	-179.9	0	0	0	105.8	T16 Y67	T16-I69 HydrophobicContact CG2-CD1 4.06Å; T16-I69 PolarHBondContact N-O 3.33Å; T16-I69 VanDerWaalsContact N-O 3.1Å; T16-I69 PolarHBondContact O-N 2.85Å; Y67-I69 HydrophobicContact CD2-CG1 3.99Å; Y67-I69 HydrophobicContact CE2-CD1 4.04Å; Y67-I69 HydrophobicContact CE2-CG1 3.75Å
70	L	97.8	Very high	96	Very high	50 Å²	50	74.5 Å²	74.5	26%	0.262	39%	0.385	S	S	.	.			trans	-86.1	153.1	-178.8	-56.4	179.7	0	0	0	110.1	F6 L10 V15 F68 L74 L76	F6-L70 HydrophobicContact CE1-CD1 3.97Å; F6-L70 HydrophobicContact CZ-CD1 3.8Å; L10-L70 HydrophobicContact CD1-CD2 3.63Å; V15-L70 HydrophobicContact CG1-CD2 4.15Å; F68-L70 HydrophobicContact CB-CD2 4.06Å; L70-L74 HydrophobicContact CB-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CD2 3.86Å; L70-L74 HydrophobicContact CD2-CD2 4.33Å; L70-L74 HydrophobicContact CG-CD2 4.31Å; L70-L76 HydrophobicContact CD1-CD2 4.18Å
71	P	96.8	Very high	95.5	Very high	36 Å²	36	77.8 Å²	77.8	23%	0.234	41%	0.406	C	S	.	.			trans	-68.7	142.1	172	25.8	-28.3	0	0	0	110.6	S73 L74	P71-S73 PolarHBondContact O-N 3.1Å; P71-L74 HydrophobicContact CG-CB 4.15Å; P71-L74 WeakPolarHBondContact O-CB 3.47Å; P71-L74 PolarHBondContact O-N 3.4Å; P71-L74 VanDerWaalsContact O-N 3.09Å
72	D	95.2	Very high	94.5	Very high	173 Å²	173	72.6 Å²	72.6	93%	0.925	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	-178.5	-64.6	-20.2	0	0	0	113	L74	D72-L74 VanDerWaalsContact C-N 3.26Å; D72-L74 PolarHBondContact O-N 3.13Å
73	S	95.5	Very high	93.1	Very high	110 Å²	110	79.7 Å²	79.7	77%	0.769	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	0.7	178.6	60.7	0	0	0	0	114.2	P71	P71-S73 PolarHBondContact O-N 3.1Å
74	L	95.8	Very high	91.8	Very high	12 Å²	12	84 Å²	84	6%	0.063	44%	0.444	C	S	.	.			trans	-69.7	125.8	-176.6	-169.1	72.8	0	0	0	111	F6 L10 E13 L70 P71 D72 L76 L79	F6-L74 HydrophobicContact CZ-CD2 4.27Å; L10-L74 HydrophobicContact CD2-CD1 4.22Å; L10-L74 HydrophobicContact CD2-CD2 3.65Å; E13-L74 HydrophobicContact CG-CD1 3.65Å; L70-L74 HydrophobicContact CB-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CD2 3.86Å; L70-L74 HydrophobicContact CD2-CD2 4.33Å; L70-L74 HydrophobicContact CG-CD2 4.31Å; P71-L74 HydrophobicContact CG-CB 4.15Å; P71-L74 WeakPolarHBondContact O-CB 3.47Å; P71-L74 PolarHBondContact O-N 3.4Å; P71-L74 VanDerWaalsContact O-N 3.09Å; D72-L74 VanDerWaalsContact C-N 3.26Å; D72-L74 PolarHBondContact O-N 3.13Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 HydrophobicContact CD2-CD2 3.8Å; L74-L76 HydrophobicContact CG-CD2 4.35Å; L74-L76 PolarHBondContact O-N 3.15Å; L74-L79 HydrophobicContact CD1-CD1 3.64Å; L74-L79 HydrophobicContact CD2-CD1 3.95Å; L74-L79 HydrophobicContact CG-CD1 3.62Å
75	P	93.9	Very high	90.4	Very high	73 Å²	73	85.6 Å²	85.6	47%	0.474	46%	0.459	S	S	.	.			trans	-77	76.9	-177.3	31.7	-35.9	0	0	0	112.2	D77 T78 L79	P75-D77 VanDerWaalsContact C-N 3.32Å; P75-D77 PolarHBondContact O-N 3.16Å; P75-T78 PolarHBondContact O-N 2.83Å; P75-T78 VanDerWaalsContact O-N 3.15Å; P75-L79 WeakPolarHBondContact O-CG 3.4Å; P75-L79 PolarHBondContact O-N 2.76Å; P75-L79 VanDerWaalsContact O-N 3.13Å
76	L	93.6	Very high	88.9	Confident	76 Å²	76	94.2 Å²	94.2	40%	0.398	50%	0.495	S	S	.	.	H	α-helix	trans	-56.9	-40.6	-175.5	-66.2	178.8	0	0	0	113.1	F6 L70 L74 T78 L79 L80	F6-L76 HydrophobicContact CE2-CD2 3.99Å; F6-L76 HydrophobicContact CZ-CD2 3.79Å; L70-L76 HydrophobicContact CD1-CD2 4.18Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 HydrophobicContact CD2-CD2 3.8Å; L74-L76 HydrophobicContact CG-CD2 4.35Å; L74-L76 PolarHBondContact O-N 3.15Å; L76-T78 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 2.79Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L76-L80 HydrophobicContact CB-CD1 4.15Å; L76-L80 VanDerWaalsContact O-CB 3.24Å; L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.74Å
77	D	90.7	Very high	87.4	Confident	144 Å²	144	94.8 Å²	94.8	77%	0.77	51%	0.512	S	S	*	.	H	α-helix	trans	-57.9	-38.1	-180	-65	-31	0	0	0	112.2	P75 V81	P75-D77 VanDerWaalsContact C-N 3.32Å; P75-D77 PolarHBondContact O-N 3.16Å; D77-V81 VanDerWaalsContact O-CG2 3.3Å; D77-V81 WeakPolarHBondContact O-CG2 3.02Å
78	T	90.4	Very high	85.7	Confident	105 Å²	105	99.3 Å²	99.3	64%	0.644	53%	0.533	S	S	*	.	H	α-helix	trans	-76.8	-41.8	178.5	-59.5	0	0	0	0	111.1	P75 L76	P75-T78 PolarHBondContact O-N 2.83Å; P75-T78 VanDerWaalsContact O-N 3.15Å; L76-T78 PolarHBondContact O-N 3.3Å
79	L	91.3	Very high	84	Confident	26 Å²	26	102.3 Å²	102.3	14%	0.136	56%	0.559	C	S	.	*	H	α-helix	trans	-73.9	-29.2	-175.8	-67.4	175.5	0	0	0	113	F6 K9 L10 L74 P75 L76 V81	F6-L79 HydrophobicContact CD2-CB 3.91Å; F6-L79 HydrophobicContact CE2-CB 3.68Å; F6-L79 HydrophobicContact CE2-CD1 4.26Å; K9-L79 HydrophobicContact CB-CD2 3.95Å; K9-L79 HydrophobicContact CD-CD2 4.25Å; K9-L79 WeakPolarHBondContact CD-O 3.48Å; K9-L79 PolarHBondContact NZ-O 2.81Å; L10-L79 HydrophobicContact CD2-CD1 4.06Å; L74-L79 HydrophobicContact CD1-CD1 3.64Å; L74-L79 HydrophobicContact CD2-CD1 3.95Å; L74-L79 HydrophobicContact CG-CD1 3.62Å; P75-L79 WeakPolarHBondContact O-CG 3.4Å; P75-L79 PolarHBondContact O-N 2.76Å; P75-L79 VanDerWaalsContact O-N 3.13Å; L76-L79 PolarHBondContact O-N 2.79Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L79-V81 VanDerWaalsContact C-N 3.34Å
80	L	90.9	Very high	82	Confident	76 Å²	76	107.5 Å²	107.5	40%	0.398	58%	0.579	S	S	.	*	H	α-helix	trans	-77.9	-17.7	179.9	-69.8	172.8	0	0	0	112.9	M1 F6 L76 D82	M1-L80 WeakPolarHBondContact CE-O 3.08Å; F6-L80 HydrophobicContact CD2-CD2 3.7Å; F6-L80 HydrophobicContact CD2-CG 4.3Å; F6-L80 HydrophobicContact CE2-CD2 4.03Å; F6-L80 HydrophobicContact CE2-CG 4.35Å; F6-L80 HydrophobicContact CG-CD2 4.15Å; L76-L80 HydrophobicContact CB-CD1 4.15Å; L76-L80 VanDerWaalsContact O-CB 3.24Å; L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.74Å; L80-D82 PolarHBondContact O-N 3.23Å
81	V	87.7	Confident	79.8	Confident	81 Å²	81	112.6 Å²	112.6	49%	0.491	60%	0.599	S	S	.	*			trans	-70.4	122.8	177.1	175.6	0	0	0	0	110.9	K9 D77 L79 I83	K9-V81 PolarHBondContact NZ-O 2.79Å; D77-V81 VanDerWaalsContact O-CG2 3.3Å; D77-V81 WeakPolarHBondContact O-CG2 3.02Å; L79-V81 VanDerWaalsContact C-N 3.34Å; V81-I83 PolarHBondContact O-N 3.31Å
82	D	76.5	Confident	77.5	Confident	55 Å²	55	122.3 Å²	122.3	29%	0.294	63%	0.631	S	S	.	*			trans	-78.4	105.6	167	-78	-37.4	0	0	0	107.8	M1 L80 E84	M1-D82 WeakPolarHBondContact CA-OD2 3.24Å; M1-D82 PolarHBondContact N-OD2 3.37Å; M1-D82 HydrophobicContact SD-CB 4.42Å; M1-D82 VanDerWaalsContact SD-OD2 3.41Å; L80-D82 PolarHBondContact O-N 3.23Å; D82-E84 PolarHBondContact O-N 2.8Å
83	I	70.2	Confident	75.3	Confident	151 Å²	151	121.4 Å²	121.4	77%	0.774	62%	0.621	S	S	*	*			trans	-68.9	101.4	168.1	-57.6	176.1	0	0	0	106.5	V81	V81-I83 PolarHBondContact O-N 3.31Å
84	E	70.1	Confident	73.1	Confident	162 Å²	162	119.8 Å²	119.8	76%	0.757	61%	0.614	S	S	*	*			trans	-59.1	127.5	167.9	-67.7	-173.6	165.7	0	0	108	D82 K86	D82-E84 PolarHBondContact O-N 2.8Å; E84-K86 PolarHBondContact O-N 2.77Å
85	P	69.4	Low	71	Confident	110 Å²	110	126.2 Å²	126.2	71%	0.714	65%	0.654	S	S	*	*			trans	-59.2	111.2	171.4	22.9	-28.9	0	0	0	106.1	V87	P85-V87 VanDerWaalsContact C-N 3.32Å; P85-V87 PolarHBondContact O-N 2.74Å
86	K	67	Low	68.8	Low	199 Å²	199	128 Å²	128	87%	0.865	67%	0.674	S	S	*	*			trans	-49.2	105.1	174.5	-77.4	-176.6	178.4	178.7	0	105.9	E84 K88	E84-K86 PolarHBondContact O-N 2.77Å; K86-K88 VanDerWaalsContact C-N 3.26Å; K86-K88 PolarHBondContact O-N 2.87Å
87	V	68.5	Low	66.3	Low	132 Å²	132	127.7 Å²	127.7	80%	0.8	69%	0.69	S	S	*	*			trans	-58.6	104.6	173.4	-176.3	0	0	0	0	102.6	P85 S89	P85-V87 VanDerWaalsContact C-N 3.32Å; P85-V87 PolarHBondContact O-N 2.74Å; V87-S89 PolarHBondContact O-N 2.73Å
88	K	62.7	Low	64.1	Low	192 Å²	192	132.9 Å²	132.9	84%	0.835	70%	0.699	S	S	*	*			trans	-62.3	89.9	166.5	-78.3	-175.2	178.9	179.3	0	102.9	K86 K90	K86-K88 VanDerWaalsContact C-N 3.26Å; K86-K88 PolarHBondContact O-N 2.87Å; K88-K90 PolarHBondContact O-N 2.96Å
89	S	62.6	Low	61.8	Low	101 Å²	101	131.6 Å²	131.6	71%	0.706	71%	0.706	S	S	*	*			trans	-51.8	105.7	163.5	42.3	0	0	0	0	103.1	V87 K91	V87-S89 PolarHBondContact O-N 2.73Å; S89-K91 PolarHBondContact O-N 2.68Å
90	K	54.5	Low	60	Low	194 Å²	194	142.3 Å²	142.3	84%	0.843	75%	0.745	S	S	*	*			trans	-59.8	89.6	163.5	-75.1	-174.5	178.6	-179.7	0	103.1	K88 R92	K88-K90 PolarHBondContact O-N 2.96Å; K90-R92 PolarHBondContact O-N 2.69Å
91	K	51.9	Low	57.8	Low	157 Å²	157	142.1 Å²	142.1	68%	0.683	76%	0.762	S	S	*	*			trans	-50	105.2	164.2	-170.5	-173.2	179.5	-159.2	0	102.8	S89 E93	S89-K91 PolarHBondContact O-N 2.68Å; K91-E93 HydrophobicContact CD-CG 4.14Å; K91-E93 HydrophobicContact CG-CG 4.34Å; K91-E93 IonicContact NZ-OE1 2.78Å; K91-E93 PolarHBondContact NZ-OE1 2.86Å; K91-E93 PolarHBondContact O-N 2.82Å
92	R	48.7	Very low	56.1	Low	239 Å²	239	150.4 Å²	150.4	90%	0.902	78%	0.784	S	S	*	*			trans	-63.8	81.4	168.6	-81	-179.3	168.8	-179.1	-3.1	105.1	K90 A94	K90-R92 PolarHBondContact O-N 2.69Å; R92-A94 PolarHBondContact O-N 3.42Å
93	E	48.8	Very low	54.7	Low	154 Å²	154	151 Å²	151	72%	0.72	80%	0.804	S	S	*	*			trans	-74.5	77.8	158.8	-93.7	177.8	-177.3	0	0	107.2	K91	K91-E93 HydrophobicContact CD-CG 4.14Å; K91-E93 HydrophobicContact CG-CG 4.34Å; K91-E93 IonicContact NZ-OE1 2.78Å; K91-E93 PolarHBondContact NZ-OE1 2.86Å; K91-E93 PolarHBondContact O-N 2.82Å
94	A	50.9	Low	53.7	Low	77 Å²	77	156.1 Å²	156.1	64%	0.636	81%	0.813	S	S	*	*			trans	-168.4	102.8	160.1	0	0	0	0	0	102.4	R92	R92-A94 PolarHBondContact O-N 3.42Å
95	V	50.5	Low	52.7	Low	147 Å²	147	151.8 Å²	151.8	89%	0.891	81%	0.813	S	S	*	*	S	Bend		-158.6	89.5	59.8	-175.9	0	0	0	0	108.4
96	A	47	Very low	51.7	Low	109 Å²	109	158.8 Å²	158.8	90%	0.901	83%	0.825	S	S	*	*	S	Bend	trans	-154.9	79.1	167	0	0	0	0	0	110.5
97	G	41.6	Very low	50.9	Low	71 Å²	71	152.7 Å²	152.7	73%	0.732	82%	0.818	S	S	*	*	S	Bend	trans	132.7	107.7	155.7	0	0	0	0	0	117
98	R	44.9	Very low	49.9	Very low	252 Å²	252	158.1 Å²	158.1	95%	0.951	83%	0.825	S	S	*	*			trans	64.9	77.9	135.8	-69.6	176.1	166.3	173	-3.5	118.1
99	G	42.7	Very low	49.2	Very low	78 Å²	78	152.5 Å²	152.5	80%	0.804	82%	0.821	S	S	*	*			trans	-110.6	102.5	150.5	0	0	0	0	0	110.3	G101	G99-G101 PolarHBondContact O-N 3.05Å
100	R	52.3	Low	48.5	Very low	251 Å²	251	158.9 Å²	158.9	95%	0.947	83%	0.829	S	S	*	*			trans	-60.4	87.1	177.8	-70.9	171.2	166.6	172.1	-5.3	111.9	R102	R100-R102 PolarHBondContact O-N 2.78Å
101	G	46.2	Very low	48.4	Very low	73 Å²	73	153.1 Å²	153.1	75%	0.753	83%	0.825	S	S	*	*			trans	-88.1	91.5	168.1	0	0	0	0	0	111.4	G99 G103	G99-G101 PolarHBondContact O-N 3.05Å; G101-G103 VanDerWaalsContact C-N 3.28Å; G101-G103 PolarHBondContact O-N 2.9Å
102	R	50.7	Low	48.3	Very low	254 Å²	254	156.2 Å²	156.2	96%	0.958	83%	0.832	S	S	*	*			trans	-61	86.4	166.8	-78.2	174.7	167	173.4	-4.3	109.8	R100	R100-R102 PolarHBondContact O-N 2.78Å
103	G	47.9	Very low	48.5	Very low	69 Å²	69	148.4 Å²	148.4	71%	0.711	83%	0.827	S	S	*	*			trans	-107.4	89.4	172.2	0	0	0	0	0	110.7	G101 G105	G101-G103 VanDerWaalsContact C-N 3.28Å; G101-G103 PolarHBondContact O-N 2.9Å; G103-G105 VanDerWaalsContact C-N 3.31Å; G103-G105 PolarHBondContact O-N 2.88Å
104	R	49.1	Very low	48.6	Very low	257 Å²	257	151.9 Å²	151.9	97%	0.97	83%	0.833	S	S	*	*			trans	-61.9	89.8	168.8	-74	173.8	168	176.2	-4	109.2
105	G	48.8	Very low	48.3	Very low	72 Å²	72	152.3 Å²	152.3	74%	0.742	85%	0.845	S	S	*	*			trans	-112.5	87.1	173.9	0	0	0	0	0	110.7	G103 G107	G103-G105 VanDerWaalsContact C-N 3.31Å; G103-G105 PolarHBondContact O-N 2.88Å; G105-G107 PolarHBondContact O-N 2.94Å
106	R	48.2	Very low	48.3	Very low	257 Å²	257	148.8 Å²	148.8	97%	0.97	84%	0.839	S	S	*	*			trans	-62.1	93.3	170	-72.3	173.1	167.6	173.8	-3.2	109.4
107	G	50	Low	48.4	Very low	71 Å²	71	149.9 Å²	149.9	73%	0.732	84%	0.836	S	S	*	*			trans	-113.2	90.9	173	0	0	0	0	0	110.9	G105 G109	G105-G107 PolarHBondContact O-N 2.94Å; G107-G109 PolarHBondContact O-N 3.01Å
108	R	47.2	Very low	48.3	Very low	246 Å²	246	158.1 Å²	158.1	93%	0.928	85%	0.845	S	S	*	*			trans	-59.4	99.6	173.6	-70.6	172.1	169.1	174.1	-4.6	110.2
109	G	49.6	Very low	48.9	Very low	73 Å²	73	161.5 Å²	161.5	75%	0.753	86%	0.858	S	S	*	*			trans	-110.2	79.4	167.3	0	0	0	0	0	110.8	G107 G111	G107-G109 PolarHBondContact O-N 3.01Å; G109-G111 VanDerWaalsContact C-N 3.32Å; G109-G111 PolarHBondContact O-N 2.97Å
110	R	47.1	Very low	49.2	Very low	235 Å²	235	165.7 Å²	165.7	89%	0.887	86%	0.861	S	S	*	*			trans	-67.8	88.7	169.6	-75.1	176.2	170.2	174.6	-3.6	109
111	G	52.2	Low	49.1	Very low	73 Å²	73	161.2 Å²	161.2	75%	0.753	86%	0.856	S	S	*	*			trans	-101.1	81.7	167	0	0	0	0	0	110.1	G109 G113	G109-G111 VanDerWaalsContact C-N 3.32Å; G109-G111 PolarHBondContact O-N 2.97Å; G111-G113 PolarHBondContact O-N 3.11Å; G111-G113 VanDerWaalsContact O-N 3.11Å
112	R	49.1	Very low	49.2	Very low	222 Å²	222	166.1 Å²	166.1	84%	0.838	86%	0.862	S	S	*	*			trans	-63.3	104.5	169.8	-75.1	174.1	169	174.8	-4.5	109
113	G	54.1	Low	49.1	Very low	76 Å²	76	160.9 Å²	160.9	78%	0.784	86%	0.856	S	S	*	*			trans	-111.1	80.1	158.9	0	0	0	0	0	108.5	G111	G111-G113 PolarHBondContact O-N 3.11Å; G111-G113 VanDerWaalsContact O-N 3.11Å
114	R	50.6	Low	49.2	Very low	227 Å²	227	166.6 Å²	166.6	86%	0.857	87%	0.865	S	S	*	*			trans	-65	147.3	173.1	-88.1	179.2	168.1	177.2	-5.9	109.5
115	G	43.9	Very low	49.2	Very low	85 Å²	85	160.6 Å²	160.6	88%	0.876	86%	0.858	S	S	*	*			trans	-53.6	159.5	-174.8	0	0	0	0	0	116.8
116	G	51.8	Low	49.2	Very low	74 Å²	74	166.9 Å²	166.9	76%	0.763	87%	0.866	S	S	*	*			trans	-138.5	150.6	158.3	0	0	0	0	0	108.5
117	P	47.7	Very low	49.3	Very low	131 Å²	131	160 Å²	160	85%	0.851	86%	0.858	S	S	*	*				-101.2	159.5	-124.7	35.5	-34.5	0	0	0	115	R119	P117-R119 PolarHBondContact O-N 3.48Å
118	R	39.7	Very low	49.3	Very low	245 Å²	245	167.4 Å²	167.4	93%	0.925	87%	0.869	S	S	*	*			trans	-64.1	120.8	161.3	-72.1	175.3	155.5	138.9	-5	110.3
119	R	58.3	Low	49.5	Very low	322 Å²	322	160.3 Å²	160.3	100%	1.215	86%	0.864	S	S	*	*			trans	-146.6	0	135.5	-83.9	-160.1	179.3	-161.1	-0.2	107.9	P117	P117-R119 PolarHBondContact O-N 3.48Å

Retrieved 119 of 119 residues in 23.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).