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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 , UniProt , Accession A0A087Y346, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 113 aa.

						>A0A087Y346_POEFO|A0A087Y346
MKLVRFLMKLSHETVTIELKNGTQVHGTITGVDVSMNTHLKAVKMTLKNREPTQLESLSIRGNNIRYFILPDSLPLDTLLVDIEPKIKSKKREAVAGRGRGRGRGRGRGGPRR
					

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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	56.3	Low	87.8	Confident	191 Å²	191	76.6 Å²	76.6	94%	0.941	36%	0.362	S	S	*	.				0	105.7	0	-75.1	-80.8	-101.7	0	0	108.8	L3 V4	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-V4 HydrophobicContact CB-CG2 4.25Å
2	K	75	Confident	88.5	Confident	159 Å²	159	81.9 Å²	81.9	69%	0.691	39%	0.386	S	S	*	.	H	α-helix	trans	-65.8	-35.3	-178	-61.1	-170	173.1	-179.5	0	112.4	R5 F6 D82	K2-R5 PolarHBondContact O-N 3.14Å; K2-F6 PolarHBondContact O-N 3.35Å; K2-F6 VanDerWaalsContact O-N 3.17Å; K2-D82 WeakPolarHBondContact CG-OD2 3.27Å
3	L	86.3	Confident	89.2	Confident	109 Å²	109	80.7 Å²	80.7	57%	0.571	38%	0.38	S	S	*	.	H	α-helix	trans	-66.8	-42.7	-176.2	-173.5	63.8	0	0	0	114	M1 R5 F6 L7	M1-L3 VanDerWaalsContact C-N 3.33Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.41Å; L3-F6 HydrophobicContact CD1-CD1 4.18Å; L3-F6 WeakPolarHBondContact O-CB 3.18Å; L3-F6 PolarHBondContact O-N 2.57Å; L3-F6 VanDerWaalsContact O-N 3.11Å; L3-L7 PolarHBondContact O-N 3.4Å
4	V	90.1	Very high	89.9	Confident	17 Å²	17	79 Å²	79	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-39.8	178.2	176.8	0	0	0	0	110.5	M1 F6 L7 M8 V34 M36	M1-V4 HydrophobicContact CB-CG2 4.25Å; V4-F6 VanDerWaalsContact C-N 3.27Å; V4-F6 PolarHBondContact O-N 2.73Å; V4-L7 PolarHBondContact O-N 2.59Å; V4-L7 VanDerWaalsContact O-N 3.12Å; V4-M8 HydrophobicContact CG1-SD 4.38Å; V4-M8 VanDerWaalsContact O-CG 3.29Å; V4-M8 WeakPolarHBondContact O-CG 3.43Å; V4-M8 PolarHBondContact O-N 2.99Å; V4-V34 WeakPolarHBondContact CG1-O 3.47Å; V4-M36 HydrophobicContact CG1-CG 4.36Å; V4-M36 HydrophobicContact CG2-CG 4.05Å; V4-M36 HydrophobicContact CG2-SD 4.28Å
5	R	90.4	Very high	90.4	Very high	148 Å²	148	73.9 Å²	73.9	56%	0.558	35%	0.353	S	S	*	.	H	α-helix	trans	-62.4	-35.5	175.8	-68.3	-173	172.2	-140.3	-2.2	112.6	K2 L3 K9	K2-R5 PolarHBondContact O-N 3.14Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.41Å; R5-K9 WeakPolarHBondContact O-CG 3.38Å
6	F	93.1	Very high	90.9	Very high	9 Å²	9	71.3 Å²	71.3	4%	0.039	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-48.3	171	162.1	-95.8	0	0	0	111.4	K2 L3 V4 M8 K9 L10 L70 L74 L76 L79 L80	K2-F6 PolarHBondContact O-N 3.35Å; K2-F6 VanDerWaalsContact O-N 3.17Å; L3-F6 HydrophobicContact CD1-CD1 4.18Å; L3-F6 WeakPolarHBondContact O-CB 3.18Å; L3-F6 PolarHBondContact O-N 2.57Å; L3-F6 VanDerWaalsContact O-N 3.11Å; V4-F6 VanDerWaalsContact C-N 3.27Å; V4-F6 PolarHBondContact O-N 2.73Å; F6-M8 PolarHBondContact O-N 2.86Å; F6-K9 WeakPolarHBondContact O-CB 3.45Å; F6-K9 PolarHBondContact O-N 3.03Å; F6-L10 HydrophobicContact CE1-CD1 4.17Å; F6-L10 HydrophobicContact CE1-CD2 4.31Å; F6-L10 HydrophobicContact CE2-CD2 4.23Å; F6-L10 HydrophobicContact CZ-CD2 3.9Å; F6-L70 HydrophobicContact CE1-CD1 3.92Å; F6-L70 HydrophobicContact CZ-CD1 3.8Å; F6-L74 HydrophobicContact CZ-CD2 4.07Å; F6-L76 HydrophobicContact CE2-CD2 3.91Å; F6-L76 HydrophobicContact CZ-CD2 3.62Å; F6-L79 HydrophobicContact CD2-CB 3.73Å; F6-L79 HydrophobicContact CE2-CB 3.58Å; F6-L79 HydrophobicContact CE2-CD1 4.22Å; F6-L80 HydrophobicContact CB-CD2 4.05Å; F6-L80 HydrophobicContact CD1-CD2 4.32Å; F6-L80 HydrophobicContact CD2-CD2 3.61Å; F6-L80 HydrophobicContact CD2-CG 4.03Å; F6-L80 HydrophobicContact CE2-CD2 4.12Å; F6-L80 HydrophobicContact CE2-CG 4.26Å; F6-L80 HydrophobicContact CG-CD2 3.72Å
7	L	94.8	Very high	91.4	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-59.9	-35.5	178.7	-64.1	176.1	0	0	0	112.5	L3 V4 K9 L10 V32 M36 F68	L3-L7 PolarHBondContact O-N 3.4Å; V4-L7 PolarHBondContact O-N 2.59Å; V4-L7 VanDerWaalsContact O-N 3.12Å; L7-K9 PolarHBondContact O-N 3Å; L7-L10 HydrophobicContact CD2-CD1 3.72Å; L7-L10 WeakPolarHBondContact O-CB 3.36Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L7-V32 HydrophobicContact CB-CG1 4.15Å; L7-V32 WeakPolarHBondContact O-CG2 3.42Å; L7-M36 HydrophobicContact CD1-CG 4.27Å; L7-M36 HydrophobicContact CD1-SD 3.88Å; L7-F68 HydrophobicContact CD1-CD2 4.36Å; L7-F68 HydrophobicContact CD1-CE2 3.83Å; L7-F68 HydrophobicContact CD1-CZ 4.34Å; L7-F68 HydrophobicContact CD2-CD2 4.03Å; L7-F68 HydrophobicContact CD2-CE2 4.12Å; L7-F68 HydrophobicContact CD2-CG 4.3Å; L7-F68 HydrophobicContact CD2-CZ 4.45Å
8	M	94.9	Very high	91.8	Very high	80 Å²	80	64.9 Å²	64.9	39%	0.394	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	174.3	-65	172.8	68.2	0	0	113.6	V4 F6 V32 V34	V4-M8 HydrophobicContact CG1-SD 4.38Å; V4-M8 VanDerWaalsContact O-CG 3.29Å; V4-M8 WeakPolarHBondContact O-CG 3.43Å; V4-M8 PolarHBondContact O-N 2.99Å; F6-M8 PolarHBondContact O-N 2.86Å; M8-V32 WeakPolarHBondContact CG-O 3.26Å; M8-V34 HydrophobicContact CE-CG2 4.3Å; M8-V34 HydrophobicContact SD-CG2 4.18Å
9	K	94.1	Very high	92.2	Very high	79 Å²	79	62.6 Å²	62.6	34%	0.343	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11	176.7	-61.2	173.5	-172.5	177.4	0	113.3	R5 F6 L7 S11 L79 V81	R5-K9 WeakPolarHBondContact O-CG 3.38Å; F6-K9 WeakPolarHBondContact O-CB 3.45Å; F6-K9 PolarHBondContact O-N 3.03Å; L7-K9 PolarHBondContact O-N 3Å; K9-S11 PolarHBondContact O-N 3.2Å; K9-L79 HydrophobicContact CB-CD2 4.27Å; K9-L79 HydrophobicContact CD-CD2 4.27Å; K9-L79 WeakPolarHBondContact CD-O 3.26Å; K9-L79 PolarHBondContact NZ-O 3.23Å; K9-V81 PolarHBondContact NZ-O 3.34Å
10	L	95.7	Very high	92.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.318	C	S	.	.			trans	-78.1	18.5	-176.1	-55.9	-178.1	0	0	0	113.7	F6 L7 H12 E13 I29 L70 L74 L79	F6-L10 HydrophobicContact CE1-CD1 4.17Å; F6-L10 HydrophobicContact CE1-CD2 4.31Å; F6-L10 HydrophobicContact CE2-CD2 4.23Å; F6-L10 HydrophobicContact CZ-CD2 3.9Å; L7-L10 HydrophobicContact CD2-CD1 3.72Å; L7-L10 WeakPolarHBondContact O-CB 3.36Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L10-H12 PolarHBondContact O-N 3.05Å; L10-E13 HydrophobicContact CB-CB 4.33Å; L10-E13 HydrophobicContact CB-CG 4.33Å; L10-E13 HydrophobicContact CD2-CG 4.41Å; L10-E13 WeakPolarHBondContact O-CB 3.34Å; L10-E13 PolarHBondContact O-N 2.8Å; L10-E13 VanDerWaalsContact O-N 3.11Å; L10-I29 HydrophobicContact CB-CD1 3.75Å; L10-I29 HydrophobicContact CD1-CD1 4.37Å; L10-I29 WeakPolarHBondContact O-CB 3.28Å; L10-L70 HydrophobicContact CD1-CD2 3.64Å; L10-L74 HydrophobicContact CD2-CD1 4.25Å; L10-L74 HydrophobicContact CD2-CD2 3.62Å; L10-L79 HydrophobicContact CD2-CD1 4.37Å
11	S	95.3	Very high	92.7	Very high	40 Å²	40	68.2 Å²	68.2	28%	0.28	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	137.1	175.7	-168.8	0	0	0	0	109.6	K9 E13 T30	K9-S11 PolarHBondContact O-N 3.2Å; S11-E13 PolarHBondContact O-N 2.88Å; S11-T30 PolarHBondContact OG-O 2.78Å
12	H	96.3	Very high	94.7	Very high	140 Å²	140	60 Å²	60	65%	0.648	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-0.8	-174.4	-45	-59.4	0	0	0	116	L10 T28 I29	L10-H12 PolarHBondContact O-N 3.05Å; H12-T28 WeakPolarHBondContact O-CG2 3.33Å; H12-I29 WeakPolarHBondContact CA-O 3.32Å; H12-I29 PolarHBondContact N-O 3.4Å
13	E	97.8	Very high	95.9	Very high	66 Å²	66	52.6 Å²	52.6	31%	0.308	26%	0.261	S	S	.	.			trans	-80.1	136.8	172.2	-63.3	-61.5	159.5	0	0	111.2	L10 S11 V15 T28 I29 L74	L10-E13 HydrophobicContact CB-CB 4.33Å; L10-E13 HydrophobicContact CB-CG 4.33Å; L10-E13 HydrophobicContact CD2-CG 4.41Å; L10-E13 WeakPolarHBondContact O-CB 3.34Å; L10-E13 PolarHBondContact O-N 2.8Å; L10-E13 VanDerWaalsContact O-N 3.11Å; S11-E13 PolarHBondContact O-N 2.88Å; E13-V15 HydrophobicContact CB-CG1 4.36Å; E13-T28 WeakPolarHBondContact O-CA 3.21Å; E13-I29 PolarHBondContact O-N 3.01Å; E13-L74 VanDerWaalsContact CD-CD1 3.47Å; E13-L74 HydrophobicContact CG-CD1 3.77Å
14	T	98.1	Very high	96.4	Very high	57 Å²	57	51.8 Å²	51.8	35%	0.35	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121	172.3	-63.1	0	0	0	0	109.2	G27 T28 P71	T14-G27 WeakPolarHBondContact CA-O 3.42Å; T14-T28 PolarHBondContact OG1-OG1 2.77Å; T14-P71 WeakPolarHBondContact O-CG 3.25Å
15	V	98.4	Very high	96.9	Very high	2 Å²	2	51 Å²	51	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	165.8	-173.8	-60.4	0	0	0	0	110.5	E13 I17 H26 G27 I29 L40 F68 L70	E13-V15 HydrophobicContact CB-CG1 4.36Å; V15-I17 HydrophobicContact CG2-CD1 4.11Å; V15-I17 HydrophobicContact CG2-CG1 3.8Å; V15-H26 WeakPolarHBondContact O-CA 3.34Å; V15-G27 PolarHBondContact N-O 2.87Å; V15-G27 PolarHBondContact O-N 2.85Å; V15-G27 VanDerWaalsContact O-N 3.07Å; V15-I29 HydrophobicContact CB-CD1 4.48Å; V15-I29 HydrophobicContact CG1-CD1 3.9Å; V15-I29 HydrophobicContact CG2-CD1 3.72Å; V15-I29 HydrophobicContact CG2-CG1 3.8Å; V15-L40 HydrophobicContact CG2-CD2 4.34Å; V15-F68 HydrophobicContact CG2-CD1 4.36Å; V15-L70 HydrophobicContact CG1-CD2 4.06Å
16	T	98.6	Very high	97.3	Very high	33 Å²	33	48 Å²	48	20%	0.202	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.6	161.9	-53.6	0	0	0	0	109.1	V25 H26 I69	T16-V25 CarbonylContact C-O 3.51Å; T16-V25 WeakPolarHBondContact CA-O 3.46Å; T16-H26 PolarHBondContact OG1-ND1 3.19Å; T16-I69 HydrophobicContact CG2-CD1 4.18Å; T16-I69 PolarHBondContact N-O 3.11Å; T16-I69 VanDerWaalsContact N-O 3.11Å; T16-I69 PolarHBondContact O-N 3.41Å
17	I	98.7	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.7	-179.9	-53.1	-176.9	0	0	0	107.9	V15 L19 V25 T38 L40 I60 I65 F68	V15-I17 HydrophobicContact CG2-CD1 4.11Å; V15-I17 HydrophobicContact CG2-CG1 3.8Å; I17-L19 HydrophobicContact CG2-CD2 4.05Å; I17-V25 HydrophobicContact CB-CB 4.43Å; I17-V25 PolarHBondContact N-O 3.39Å; I17-V25 PolarHBondContact O-N 2.73Å; I17-T38 HydrophobicContact CD1-CG2 3.79Å; I17-L40 HydrophobicContact CD1-CD1 4.04Å; I17-L40 HydrophobicContact CD1-CD2 4.4Å; I17-I60 HydrophobicContact CD1-CD1 4.25Å; I17-I65 HydrophobicContact CG2-CB 4.49Å; I17-I65 HydrophobicContact CG2-CD1 4.47Å; I17-I65 HydrophobicContact CG2-CG1 4.17Å; I17-I65 HydrophobicContact CG2-CG2 3.77Å; I17-F68 HydrophobicContact CD1-CD1 3.86Å; I17-F68 HydrophobicContact CD1-CE1 3.5Å; I17-F68 VanDerWaalsContact CD1-CE1 3.5Å; I17-F68 HydrophobicContact CD1-CZ 4.27Å; I17-F68 HydrophobicContact CG1-CD1 3.78Å; I17-F68 HydrophobicContact CG1-CE1 3.97Å
18	E	98.7	Very high	97.7	Very high	27 Å²	27	48.3 Å²	48.3	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.2	169.7	-158.9	166.7	141.8	0	0	110.3	Q24 R66 Y67	E18-Q24 HydrophobicContact CG-CG 4.12Å; E18-R66 VanDerWaalsContact CD-NH2 3.3Å; E18-R66 VanDerWaalsContact CG-NH2 3.29Å; E18-R66 WeakPolarHBondContact O-CB 3.45Å; E18-R66 PolarHBondContact O-N 2.94Å; E18-R66 IonicContact OE1-CZ 2.98Å; E18-R66 IonicContact OE1-NH1 2.73Å; E18-R66 PolarHBondContact OE1-NH1 2.85Å; E18-R66 IonicContact OE1-NH2 2.59Å; E18-R66 PolarHBondContact OE1-NH2 3.09Å; E18-Y67 HydrophobicContact CB-CD2 3.91Å; E18-Y67 HydrophobicContact CB-CE1 4.47Å; E18-Y67 HydrophobicContact CB-CE2 3.35Å; E18-Y67 HydrophobicContact CG-CE2 4.32Å; E18-Y67 PolarHBondContact N-O 3.05Å; E18-Y67 VanDerWaalsContact N-O 3.09Å; E18-Y67 PolarHBondContact O-N 2.75Å; E18-Y67 PolarHBondContact OE1-OH 2.92Å; E18-Y67 PolarHBondContact OE2-OH 3.21Å
19	L	98.7	Very high	97.9	Very high	22 Å²	22	44.5 Å²	44.5	12%	0.115	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	160.9	177.8	-55.4	-168.7	0	0	0	110.8	I17 N21 G22 T23 V25 I60 N64 I65 R66	I17-L19 HydrophobicContact CG2-CD2 4.05Å; L19-N21 VanDerWaalsContact CB-OD1 3.28Å; L19-N21 WeakPolarHBondContact CB-OD1 3.45Å; L19-N21 PolarHBondContact O-N 3.11Å; L19-G22 PolarHBondContact O-N 2.86Å; L19-T23 HydrophobicContact CD1-CG2 4.12Å; L19-T23 PolarHBondContact N-O 2.82Å; L19-V25 HydrophobicContact CD1-CG2 4.49Å; L19-I60 HydrophobicContact CD1-CG2 4.49Å; L19-I60 HydrophobicContact CD2-CD1 4.29Å; L19-I60 HydrophobicContact CD2-CG2 3.63Å; L19-N64 CarbonylContact C-O 3.57Å; L19-N64 WeakPolarHBondContact CA-O 3.33Å; L19-I65 HydrophobicContact CD2-CG1 4.22Å; L19-R66 PolarHBondContact O-NE 3.02Å; L19-R66 PolarHBondContact O-NH2 2.83Å
20	K	98.6	Very high	98.1	Very high	141 Å²	141	43.8 Å²	43.8	61%	0.613	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.4	178.7	-72.7	179.2	176.5	174.4	0	113.7	G22 N63 N64 R66	K20-G22 VanDerWaalsContact C-N 3.29Å; K20-N63 WeakPolarHBondContact CD-O 3.19Å; K20-N63 WeakPolarHBondContact CE-O 3.2Å; K20-N63 PolarHBondContact NZ-O 2.74Å; K20-N64 PolarHBondContact N-O 3.19Å; K20-R66 HydrophobicContact CG-CB 4.25Å
21	N	97.9	Very high	98.2	Very high	102 Å²	102	44.8 Å²	44.8	55%	0.545	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.1	176.9	67.9	-8.6	0	0	0	113.8	L19 T23	L19-N21 VanDerWaalsContact CB-OD1 3.28Å; L19-N21 WeakPolarHBondContact CB-OD1 3.45Å; L19-N21 PolarHBondContact O-N 3.11Å; N21-T23 PolarHBondContact ND2-OG1 3.07Å; N21-T23 WeakPolarHBondContact OD1-CB 3.3Å; N21-T23 PolarHBondContact OD1-N 3.41Å; N21-T23 PolarHBondContact OD1-OG1 2.88Å
22	G	98.1	Very high	98.4	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	23%	0.229	C	C	.	.	S	Bend	trans	85.5	4.4	-177.9	0	0	0	0	0	114.8	L19 K20	L19-G22 PolarHBondContact O-N 2.86Å; K20-G22 VanDerWaalsContact C-N 3.29Å
23	T	98.6	Very high	98.3	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.031	21%	0.212	C	C	.	.			trans	-66.3	133.4	167.5	-64.5	0	0	0	0	109.8	L19 N21 V25 M45 T46 L47	L19-T23 HydrophobicContact CD1-CG2 4.12Å; L19-T23 PolarHBondContact N-O 2.82Å; N21-T23 PolarHBondContact ND2-OG1 3.07Å; N21-T23 WeakPolarHBondContact OD1-CB 3.3Å; N21-T23 PolarHBondContact OD1-N 3.41Å; N21-T23 PolarHBondContact OD1-OG1 2.88Å; T23-V25 HydrophobicContact CG2-CG2 4.07Å; T23-M45 HydrophobicContact CG2-CG 3.72Å; T23-M45 HydrophobicContact CG2-SD 4.1Å; T23-T46 WeakPolarHBondContact CA-O 3.11Å; T23-L47 HydrophobicContact CG2-CD2 3.88Å; T23-L47 WeakPolarHBondContact OG1-CD2 3.37Å
24	Q	98.6	Very high	98.2	Very high	91 Å²	91	41.6 Å²	41.6	43%	0.425	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.7	171.7	-67.7	-179.3	-0.6	0	0	109.9	E18 M45 T46	E18-Q24 HydrophobicContact CG-CG 4.12Å; Q24-M45 CarbonylContact O-C 3.59Å; Q24-M45 WeakPolarHBondContact O-CA 3.45Å; Q24-T46 PolarHBondContact N-O 3.05Å; Q24-T46 PolarHBondContact O-N 3.19Å
25	V	98.8	Very high	98.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.6	-179.7	-175.7	0	0	0	0	108.3	T16 I17 L19 T23 L40 V43 M45 L58 I60	T16-V25 CarbonylContact C-O 3.51Å; T16-V25 WeakPolarHBondContact CA-O 3.46Å; I17-V25 HydrophobicContact CB-CB 4.43Å; I17-V25 PolarHBondContact N-O 3.39Å; I17-V25 PolarHBondContact O-N 2.73Å; L19-V25 HydrophobicContact CD1-CG2 4.49Å; T23-V25 HydrophobicContact CG2-CG2 4.07Å; V25-L40 HydrophobicContact CG1-CD1 3.57Å; V25-V43 HydrophobicContact CG1-CG1 3.53Å; V25-M45 HydrophobicContact CG2-CG 4.27Å; V25-L58 HydrophobicContact CB-CD2 4.49Å; V25-L58 HydrophobicContact CG1-CD2 3.66Å; V25-L58 HydrophobicContact CG2-CD2 3.95Å; V25-I60 HydrophobicContact CB-CD1 4.24Å; V25-I60 HydrophobicContact CG1-CD1 4.16Å; V25-I60 HydrophobicContact CG2-CD1 4.02Å
26	H	98.8	Very high	98	Very high	86 Å²	86	45.5 Å²	45.5	40%	0.398	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.7	170.7	-177.6	81	0	0	0	109.2	V15 T16 V43 K44	V15-H26 WeakPolarHBondContact O-CA 3.34Å; T16-H26 PolarHBondContact OG1-ND1 3.19Å; H26-V43 CarbonylContact O-C 3.49Å; H26-V43 VanDerWaalsContact O-CA 3.3Å; H26-V43 WeakPolarHBondContact O-CA 3.49Å; H26-K44 HydrophobicContact CB-CB 4.42Å; H26-K44 PolarHBondContact N-O 2.9Å; H26-K44 PolarHBondContact O-N 2.87Å
27	G	98.6	Very high	98	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175	177	178.1	0	0	0	0	0	113.7	T14 V15	T14-G27 WeakPolarHBondContact CA-O 3.42Å; V15-G27 PolarHBondContact N-O 2.87Å; V15-G27 PolarHBondContact O-N 2.85Å; V15-G27 VanDerWaalsContact O-N 3.07Å
28	T	98.7	Very high	98	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.153	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.9	-178.7	-51.8	0	0	0	0	111	H12 E13 T14 T30 L40 K41	H12-T28 WeakPolarHBondContact O-CG2 3.33Å; E13-T28 WeakPolarHBondContact O-CA 3.21Å; T14-T28 PolarHBondContact OG1-OG1 2.77Å; T28-T30 PolarHBondContact O-N 2.8Å; T28-L40 CarbonylContact O-C 3.56Å; T28-L40 VanDerWaalsContact O-CA 3.25Å; T28-L40 WeakPolarHBondContact O-CA 3.09Å; T28-K41 PolarHBondContact N-O 2.94Å; T28-K41 PolarHBondContact O-N 2.83Å
29	I	98.6	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129	178.4	-65	171.6	0	0	0	109.3	L10 H12 E13 V15 V32 T38 H39 L40 F68	L10-I29 HydrophobicContact CB-CD1 3.75Å; L10-I29 HydrophobicContact CD1-CD1 4.37Å; L10-I29 WeakPolarHBondContact O-CB 3.28Å; H12-I29 WeakPolarHBondContact CA-O 3.32Å; H12-I29 PolarHBondContact N-O 3.4Å; E13-I29 PolarHBondContact O-N 3.01Å; V15-I29 HydrophobicContact CB-CD1 4.48Å; V15-I29 HydrophobicContact CG1-CD1 3.9Å; V15-I29 HydrophobicContact CG2-CD1 3.72Å; V15-I29 HydrophobicContact CG2-CG1 3.8Å; I29-V32 HydrophobicContact CD1-CG2 4.43Å; I29-V32 HydrophobicContact CG2-CG2 3.84Å; I29-T38 HydrophobicContact CG1-CG2 4.23Å; I29-H39 CarbonylContact C-O 3.54Å; I29-H39 WeakPolarHBondContact CA-O 3.07Å; I29-L40 HydrophobicContact CB-CD2 4.39Å; I29-L40 HydrophobicContact CG1-CD2 3.69Å; I29-F68 HydrophobicContact CD1-CE1 4.44Å
30	T	98.6	Very high	98	Very high	63 Å²	63	47.3 Å²	47.3	39%	0.387	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-32.9	167.2	56.3	0	0	0	0	110.9	S11 T28 H39 K41	S11-T30 PolarHBondContact OG-O 2.78Å; T28-T30 PolarHBondContact O-N 2.8Å; T30-H39 PolarHBondContact N-O 2.88Å; T30-H39 VanDerWaalsContact OG1-C 3.29Å; T30-H39 WeakPolarHBondContact OG1-CB 3.26Å; T30-H39 PolarHBondContact OG1-O 2.85Å; T30-H39 VanDerWaalsContact OG1-O 3.11Å; T30-K41 HydrophobicContact CG2-CB 3.94Å; T30-K41 HydrophobicContact CG2-CD 3.8Å; T30-K41 HydrophobicContact CG2-CG 3.71Å
31	G	98.3	Very high	98	Very high	21 Å²	21	45.5 Å²	45.5	22%	0.216	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	157.4	172.3	0	0	0	0	0	113.1	H39	G31-H39 PolarHBondContact N-O 3.4Å; G31-H39 PolarHBondContact O-N 3.18Å
32	V	98	Very high	98	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.085	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.7	171.6	-174.9	0	0	0	0	108.2	L7 M8 I29 N37 T38	L7-V32 HydrophobicContact CB-CG1 4.15Å; L7-V32 WeakPolarHBondContact O-CG2 3.42Å; M8-V32 WeakPolarHBondContact CG-O 3.26Å; I29-V32 HydrophobicContact CD1-CG2 4.43Å; I29-V32 HydrophobicContact CG2-CG2 3.84Å; V32-N37 VanDerWaalsContact CA-O 3.31Å; V32-N37 WeakPolarHBondContact CA-O 3.4Å; V32-T38 HydrophobicContact CG2-CG2 4.02Å
33	D	96.1	Very high	98.1	Very high	53 Å²	53	43.6 Å²	43.6	28%	0.283	25%	0.249	S	C	.	.			trans	-98.9	179.8	176.8	78	13.5	0	0	0	113.4	S35 M36 N37	D33-S35 PolarHBondContact O-N 2.96Å; D33-S35 VanDerWaalsContact OD1-C 3.29Å; D33-S35 VanDerWaalsContact OD1-CA 3.26Å; D33-S35 WeakPolarHBondContact OD1-CA 3.42Å; D33-S35 WeakPolarHBondContact OD1-CB 3.4Å; D33-S35 PolarHBondContact OD1-N 3.12Å; D33-M36 WeakPolarHBondContact O-CA 3.45Å; D33-M36 PolarHBondContact O-N 3.3Å; D33-M36 PolarHBondContact OD1-N 3.32Å; D33-N37 PolarHBondContact N-O 3.13Å; D33-N37 PolarHBondContact OD1-N 3.37Å; D33-N37 WeakPolarHBondContact OD2-CB 3.32Å; D33-N37 PolarHBondContact OD2-ND2 3.21Å
34	V	94.8	Very high	98.1	Very high	112 Å²	112	48.6 Å²	48.6	68%	0.679	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.9	-178.6	-172.2	0	0	0	0	112.7	V4 M8 M36	V4-V34 WeakPolarHBondContact CG1-O 3.47Å; M8-V34 HydrophobicContact CE-CG2 4.3Å; M8-V34 HydrophobicContact SD-CG2 4.18Å; V34-M36 VanDerWaalsContact C-N 3.29Å
35	S	95.8	Very high	98.1	Very high	82 Å²	82	46 Å²	46	57%	0.573	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	8.1	174.9	-59.8	0	0	0	0	112.6	D33 N37 G62	D33-S35 PolarHBondContact O-N 2.96Å; D33-S35 VanDerWaalsContact OD1-C 3.29Å; D33-S35 VanDerWaalsContact OD1-CA 3.26Å; D33-S35 WeakPolarHBondContact OD1-CA 3.42Å; D33-S35 WeakPolarHBondContact OD1-CB 3.4Å; D33-S35 PolarHBondContact OD1-N 3.12Å; S35-N37 PolarHBondContact O-N 2.82Å; S35-G62 WeakPolarHBondContact O-CA 3.29Å
36	M	97.3	Very high	98.1	Very high	60 Å²	60	47.6 Å²	47.6	30%	0.296	27%	0.268	S	S	.	.			trans	61.8	18.2	-172.5	-51.9	-173.1	-59.8	0	0	114.2	V4 L7 D33 V34 T38 G62 I65	V4-M36 HydrophobicContact CG1-CG 4.36Å; V4-M36 HydrophobicContact CG2-CG 4.05Å; V4-M36 HydrophobicContact CG2-SD 4.28Å; L7-M36 HydrophobicContact CD1-CG 4.27Å; L7-M36 HydrophobicContact CD1-SD 3.88Å; D33-M36 WeakPolarHBondContact O-CA 3.45Å; D33-M36 PolarHBondContact O-N 3.3Å; D33-M36 PolarHBondContact OD1-N 3.32Å; V34-M36 VanDerWaalsContact C-N 3.29Å; M36-T38 PolarHBondContact O-N 2.83Å; M36-T38 PolarHBondContact O-OG1 3.36Å; M36-G62 VanDerWaalsContact C-CA 3.42Å; M36-G62 WeakPolarHBondContact O-CA 3.31Å; M36-I65 WeakPolarHBondContact O-CD1 3.35Å
37	N	98	Very high	98	Very high	40 Å²	40	46 Å²	46	21%	0.214	26%	0.262	C	S	.	.			trans	-62.3	126.9	167.9	-55.7	-44.7	0	0	0	107.4	V32 D33 S35 I60 R61 G62	V32-N37 VanDerWaalsContact CA-O 3.31Å; V32-N37 WeakPolarHBondContact CA-O 3.4Å; D33-N37 PolarHBondContact N-O 3.13Å; D33-N37 PolarHBondContact OD1-N 3.37Å; D33-N37 WeakPolarHBondContact OD2-CB 3.32Å; D33-N37 PolarHBondContact OD2-ND2 3.21Å; S35-N37 PolarHBondContact O-N 2.82Å; N37-I60 CarbonylContact C-O 3.6Å; N37-I60 VanDerWaalsContact CA-O 3.26Å; N37-I60 WeakPolarHBondContact CA-O 3.49Å; N37-R61 VanDerWaalsContact OD1-CA 3.31Å; N37-R61 WeakPolarHBondContact OD1-CA 3.32Å; N37-R61 WeakPolarHBondContact OD1-CG 3.49Å; N37-G62 PolarHBondContact OD1-N 3.12Å
38	T	98.7	Very high	97.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.6	-169.9	-59.9	0	0	0	0	108.7	I17 I29 V32 M36 L40 I60 F68	I17-T38 HydrophobicContact CD1-CG2 3.79Å; I29-T38 HydrophobicContact CG1-CG2 4.23Å; V32-T38 HydrophobicContact CG2-CG2 4.02Å; M36-T38 PolarHBondContact O-N 2.83Å; M36-T38 PolarHBondContact O-OG1 3.36Å; T38-L40 HydrophobicContact CG2-CD2 4.35Å; T38-L40 HydrophobicContact CG2-CG 4.17Å; T38-I60 PolarHBondContact N-O 3.17Å; T38-I60 PolarHBondContact O-N 3.47Å; T38-F68 HydrophobicContact CG2-CE1 4.27Å
39	H	98.7	Very high	97.7	Very high	76 Å²	76	58.7 Å²	58.7	35%	0.352	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132	178	-56.2	-79.9	0	0	0	108.5	I29 T30 G31 S59	I29-H39 CarbonylContact C-O 3.54Å; I29-H39 WeakPolarHBondContact CA-O 3.07Å; T30-H39 PolarHBondContact N-O 2.88Å; T30-H39 VanDerWaalsContact OG1-C 3.29Å; T30-H39 WeakPolarHBondContact OG1-CB 3.26Å; T30-H39 PolarHBondContact OG1-O 2.85Å; T30-H39 VanDerWaalsContact OG1-O 3.11Å; G31-H39 PolarHBondContact N-O 3.4Å; G31-H39 PolarHBondContact O-N 3.18Å; H39-S59 PolarHBondContact ND1-OG 2.9Å
40	L	98.8	Very high	97.7	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.6	-175.8	-63.1	154.9	0	0	0	110.3	V15 I17 V25 T28 I29 T38 V43 S57 L58 I60	V15-L40 HydrophobicContact CG2-CD2 4.34Å; I17-L40 HydrophobicContact CD1-CD1 4.04Å; I17-L40 HydrophobicContact CD1-CD2 4.4Å; V25-L40 HydrophobicContact CG1-CD1 3.57Å; T28-L40 CarbonylContact O-C 3.56Å; T28-L40 VanDerWaalsContact O-CA 3.25Å; T28-L40 WeakPolarHBondContact O-CA 3.09Å; I29-L40 HydrophobicContact CB-CD2 4.39Å; I29-L40 HydrophobicContact CG1-CD2 3.69Å; T38-L40 HydrophobicContact CG2-CD2 4.35Å; T38-L40 HydrophobicContact CG2-CG 4.17Å; L40-V43 HydrophobicContact CB-CG2 3.5Å; L40-V43 VanDerWaalsContact CB-CG2 3.5Å; L40-S57 VanDerWaalsContact O-CA 3.32Å; L40-S57 WeakPolarHBondContact O-CA 3.35Å; L40-L58 PolarHBondContact N-O 2.98Å; L40-L58 PolarHBondContact O-N 3.06Å; L40-I60 HydrophobicContact CD1-CD1 3.67Å
41	K	98.7	Very high	97.6	Very high	103 Å²	103	71.4 Å²	71.4	45%	0.448	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164.1	167.3	66.7	177	-179.3	174.6	0	110.8	T28 T30 E56	T28-K41 PolarHBondContact N-O 2.94Å; T28-K41 PolarHBondContact O-N 2.83Å; T30-K41 HydrophobicContact CG2-CB 3.94Å; T30-K41 HydrophobicContact CG2-CD 3.8Å; T30-K41 HydrophobicContact CG2-CG 3.71Å; K41-E56 CarbonylContact C-O 3.58Å; K41-E56 VanDerWaalsContact CA-O 3.26Å; K41-E56 WeakPolarHBondContact CA-O 3.43Å
42	A	98.5	Very high	97.6	Very high	74 Å²	74	73.1 Å²	73.1	61%	0.612	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.2	59.7	-179.3	0	0	0	0	0	111.4	E56	A42-E56 PolarHBondContact N-O 2.89Å
43	V	98.8	Very high	97.6	Very high	5 Å²	5	75.9 Å²	75.9	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.9	-165.6	175.6	0	0	0	0	111.2	V25 H26 L40 M45 Q54 L55 L58	V25-V43 HydrophobicContact CG1-CG1 3.53Å; H26-V43 CarbonylContact O-C 3.49Å; H26-V43 VanDerWaalsContact O-CA 3.3Å; H26-V43 WeakPolarHBondContact O-CA 3.49Å; L40-V43 HydrophobicContact CB-CG2 3.5Å; L40-V43 VanDerWaalsContact CB-CG2 3.5Å; V43-M45 HydrophobicContact CG1-CB 4.35Å; V43-Q54 CarbonylContact O-C 3.52Å; V43-Q54 WeakPolarHBondContact O-CA 3.31Å; V43-L55 HydrophobicContact CB-CB 4.19Å; V43-L55 PolarHBondContact N-O 3.01Å; V43-L55 PolarHBondContact O-N 2.84Å; V43-L58 HydrophobicContact CB-CB 4.45Å; V43-L58 HydrophobicContact CG1-CB 4.22Å; V43-L58 HydrophobicContact CG1-CD2 4.07Å; V43-L58 HydrophobicContact CG2-CB 4Å
44	K	98.7	Very high	97.7	Very high	109 Å²	109	81.7 Å²	81.7	47%	0.474	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.1	162.4	-178.4	-179.5	179.6	-179.2	0	108.4	H26 P52	H26-K44 HydrophobicContact CB-CB 4.42Å; H26-K44 PolarHBondContact N-O 2.9Å; H26-K44 PolarHBondContact O-N 2.87Å; K44-P52 HydrophobicContact CD-CB 4.31Å; K44-P52 HydrophobicContact CG-CB 3.98Å
45	M	98.6	Very high	97.9	Very high	36 Å²	36	79.2 Å²	79.2	18%	0.177	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.4	179.2	-179.1	179.6	71.2	0	0	110.4	T23 Q24 V25 V43 L47 P52 T53 L55 L58	T23-M45 HydrophobicContact CG2-CG 3.72Å; T23-M45 HydrophobicContact CG2-SD 4.1Å; Q24-M45 CarbonylContact O-C 3.59Å; Q24-M45 WeakPolarHBondContact O-CA 3.45Å; V25-M45 HydrophobicContact CG2-CG 4.27Å; V43-M45 HydrophobicContact CG1-CB 4.35Å; M45-L47 HydrophobicContact CE-CD2 4.04Å; M45-L47 HydrophobicContact CE-CG 4.27Å; M45-L47 HydrophobicContact SD-CD2 4.14Å; M45-P52 CarbonylContact O-C 3.54Å; M45-P52 WeakPolarHBondContact O-CA 3.46Å; M45-T53 PolarHBondContact N-O 2.92Å; M45-T53 PolarHBondContact O-N 3.47Å; M45-L55 HydrophobicContact CB-CD1 4.23Å; M45-L55 HydrophobicContact CE-CD1 4.11Å; M45-L55 HydrophobicContact SD-CD1 4.3Å; M45-L58 HydrophobicContact SD-CD2 4.39Å
46	T	98.6	Very high	98	Very high	36 Å²	36	83.7 Å²	83.7	22%	0.221	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	107.9	175.3	-47.9	0	0	0	0	108.2	T23 Q24 R50 P52	T23-T46 WeakPolarHBondContact CA-O 3.11Å; Q24-T46 PolarHBondContact N-O 3.05Å; Q24-T46 PolarHBondContact O-N 3.19Å; T46-R50 VanDerWaalsContact CG2-O 3.27Å; T46-R50 WeakPolarHBondContact CG2-O 3.49Å; T46-P52 HydrophobicContact CG2-CG 4.18Å
47	L	97.8	Very high	98.1	Very high	52 Å²	52	85 Å²	85	27%	0.272	43%	0.429	S	S	.	.			trans	-69.1	149.7	172.3	-59.3	174.3	0	0	0	108.7	T23 M45 N49 R50	T23-L47 HydrophobicContact CG2-CD2 3.88Å; T23-L47 WeakPolarHBondContact OG1-CD2 3.37Å; M45-L47 HydrophobicContact CE-CD2 4.04Å; M45-L47 HydrophobicContact CE-CG 4.27Å; M45-L47 HydrophobicContact SD-CD2 4.14Å; L47-N49 PolarHBondContact O-N 3.17Å; L47-N49 VanDerWaalsContact O-N 3.14Å; L47-R50 HydrophobicContact CB-CB 4.07Å; L47-R50 HydrophobicContact CB-CG 4.2Å; L47-R50 PolarHBondContact O-N 3.33Å
48	K	96.1	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	-51.9	124.7	178	-173.7	177.3	-179	179.6	0	110.2	R50	K48-R50 VanDerWaalsContact C-N 3.27Å; K48-R50 PolarHBondContact O-N 3.32Å
49	N	94.9	Very high	98.1	Very high	156 Å²	156	88.9 Å²	88.9	83%	0.834	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	29.3	179.8	-49.1	-23.1	0	0	0	114.6	L47	L47-N49 PolarHBondContact O-N 3.17Å; L47-N49 VanDerWaalsContact O-N 3.14Å
50	R	97	Very high	98.1	Very high	171 Å²	171	85.8 Å²	85.8	65%	0.645	44%	0.442	S	S	*	.	S	Bend	trans	-131.3	162.2	173.8	-59.7	-170.7	178.8	177.6	-1.7	110.8	T46 L47 K48	T46-R50 VanDerWaalsContact CG2-O 3.27Å; T46-R50 WeakPolarHBondContact CG2-O 3.49Å; L47-R50 HydrophobicContact CB-CB 4.07Å; L47-R50 HydrophobicContact CB-CG 4.2Å; L47-R50 PolarHBondContact O-N 3.33Å; K48-R50 VanDerWaalsContact C-N 3.27Å; K48-R50 PolarHBondContact O-N 3.32Å
51	E	97.4	Very high	98.1	Very high	159 Å²	159	93.2 Å²	93.2	74%	0.743	47%	0.47	S	S	*	.			trans	-65.5	148.9	175.4	-67.5	-55.3	136.4	0	0	112.4
52	P	98.2	Very high	98.1	Very high	58 Å²	58	88.3 Å²	88.3	38%	0.377	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.2	175.7	-20.9	32.3	0	0	0	112.9	K44 M45 T46	K44-P52 HydrophobicContact CD-CB 4.31Å; K44-P52 HydrophobicContact CG-CB 3.98Å; M45-P52 CarbonylContact O-C 3.54Å; M45-P52 WeakPolarHBondContact O-CA 3.46Å; T46-P52 HydrophobicContact CG2-CG 4.18Å
53	T	98.3	Very high	98	Very high	72 Å²	72	88 Å²	88	44%	0.442	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.5	174.9	-53.9	0	0	0	0	109.7	M45 L55	M45-T53 PolarHBondContact N-O 2.92Å; M45-T53 PolarHBondContact O-N 3.47Å; T53-L55 HydrophobicContact CG2-CD2 4.42Å
54	Q	98.5	Very high	98	Very high	175 Å²	175	91.2 Å²	91.2	82%	0.818	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.4	174.4	-63.4	-165.9	33.6	0	0	111	V43	V43-Q54 CarbonylContact O-C 3.52Å; V43-Q54 WeakPolarHBondContact O-CA 3.31Å
55	L	98.4	Very high	98	Very high	59 Å²	59	86.8 Å²	86.8	31%	0.309	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.2	176.6	-56.6	172.2	0	0	0	108.7	V43 M45 T53 L58	V43-L55 HydrophobicContact CB-CB 4.19Å; V43-L55 PolarHBondContact N-O 3.01Å; V43-L55 PolarHBondContact O-N 2.84Å; M45-L55 HydrophobicContact CB-CD1 4.23Å; M45-L55 HydrophobicContact CE-CD1 4.11Å; M45-L55 HydrophobicContact SD-CD1 4.3Å; T53-L55 HydrophobicContact CG2-CD2 4.42Å; L55-L58 HydrophobicContact CD1-CD1 4.18Å
56	E	98.4	Very high	98	Very high	176 Å²	176	90.3 Å²	90.3	82%	0.822	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	-43.4	175.3	-173.8	-177.5	174	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 3.43Å; A42-E56 PolarHBondContact N-O 2.89Å
57	S	98.4	Very high	98	Very high	88 Å²	88	93.2 Å²	93.2	62%	0.615	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	153.2	177.8	66.6	0	0	0	0	111.9	L40	L40-S57 VanDerWaalsContact O-CA 3.32Å; L40-S57 WeakPolarHBondContact O-CA 3.35Å
58	L	98.6	Very high	98	Very high	39 Å²	39	92.6 Å²	92.6	20%	0.204	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.1	174	-176.9	65.2	0	0	0	109.8	V25 L40 V43 M45 L55 I60	V25-L58 HydrophobicContact CB-CD2 4.49Å; V25-L58 HydrophobicContact CG1-CD2 3.66Å; V25-L58 HydrophobicContact CG2-CD2 3.95Å; L40-L58 PolarHBondContact N-O 2.98Å; L40-L58 PolarHBondContact O-N 3.06Å; V43-L58 HydrophobicContact CB-CB 4.45Å; V43-L58 HydrophobicContact CG1-CB 4.22Å; V43-L58 HydrophobicContact CG1-CD2 4.07Å; V43-L58 HydrophobicContact CG2-CB 4Å; M45-L58 HydrophobicContact SD-CD2 4.39Å; L55-L58 HydrophobicContact CD1-CD1 4.18Å; L58-I60 HydrophobicContact CD2-CD1 4.1Å; L58-I60 HydrophobicContact CD2-CG1 3.99Å; L58-I60 HydrophobicContact CG-CG1 4.07Å
59	S	98.5	Very high	98.1	Very high	82 Å²	82	90.3 Å²	90.3	57%	0.573	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.8	170.3	-61.7	0	0	0	0	109.7	H39	H39-S59 PolarHBondContact ND1-OG 2.9Å
60	I	98.6	Very high	98.1	Very high	12 Å²	12	85.1 Å²	85.1	6%	0.062	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.5	-176.2	-57.8	167.6	0	0	0	108.3	I17 L19 V25 N37 T38 L40 L58 G62 I65	I17-I60 HydrophobicContact CD1-CD1 4.25Å; L19-I60 HydrophobicContact CD1-CG2 4.49Å; L19-I60 HydrophobicContact CD2-CD1 4.29Å; L19-I60 HydrophobicContact CD2-CG2 3.63Å; V25-I60 HydrophobicContact CB-CD1 4.24Å; V25-I60 HydrophobicContact CG1-CD1 4.16Å; V25-I60 HydrophobicContact CG2-CD1 4.02Å; N37-I60 CarbonylContact C-O 3.6Å; N37-I60 VanDerWaalsContact CA-O 3.26Å; N37-I60 WeakPolarHBondContact CA-O 3.49Å; T38-I60 PolarHBondContact N-O 3.17Å; T38-I60 PolarHBondContact O-N 3.47Å; L40-I60 HydrophobicContact CD1-CD1 3.67Å; L58-I60 HydrophobicContact CD2-CD1 4.1Å; L58-I60 HydrophobicContact CD2-CG1 3.99Å; L58-I60 HydrophobicContact CG-CG1 4.07Å; I60-G62 PolarHBondContact O-N 3.04Å; I60-I65 HydrophobicContact CG2-CD1 4.16Å; I60-I65 HydrophobicContact CG2-CG1 3.7Å
61	R	98.6	Very high	98.1	Very high	159 Å²	159	78.7 Å²	78.7	60%	0.6	40%	0.395	S	S	*	.			trans	-69.8	128.4	172.3	-163.2	-179.3	174.4	-123.2	5.3	110.2	N37 N63 N64	N37-R61 VanDerWaalsContact OD1-CA 3.31Å; N37-R61 WeakPolarHBondContact OD1-CA 3.32Å; N37-R61 WeakPolarHBondContact OD1-CG 3.49Å; R61-N63 WeakPolarHBondContact CD-OD1 3.5Å; R61-N63 WeakPolarHBondContact CG-OD1 3.26Å; R61-N63 PolarHBondContact NE-OD1 3Å; R61-N63 PolarHBondContact NH1-ND2 3.37Å; R61-N63 PolarHBondContact NH1-OD1 3.26Å; R61-N63 PolarHBondContact O-N 3.38Å; R61-N63 VanDerWaalsContact O-N 3.12Å; R61-N64 WeakPolarHBondContact O-CB 3.49Å; R61-N64 PolarHBondContact O-N 3.03Å
62	G	97.9	Very high	97.9	Very high	1 Å²	1	79.4 Å²	79.4	1%	0.01	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-59.8	-30.7	-169.6	0	0	0	0	0	114.8	S35 M36 N37 I60 N64 I65	S35-G62 WeakPolarHBondContact O-CA 3.29Å; M36-G62 VanDerWaalsContact C-CA 3.42Å; M36-G62 WeakPolarHBondContact O-CA 3.31Å; N37-G62 PolarHBondContact OD1-N 3.12Å; I60-G62 PolarHBondContact O-N 3.04Å; G62-N64 PolarHBondContact O-N 3.37Å; G62-I65 WeakPolarHBondContact O-CB 3.35Å; G62-I65 PolarHBondContact O-N 3.11Å
63	N	98	Very high	97.7	Very high	66 Å²	66	81.8 Å²	81.8	35%	0.353	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-66.3	-18.8	177.2	79.3	-61.8	0	0	0	113.9	K20 R61	K20-N63 WeakPolarHBondContact CD-O 3.19Å; K20-N63 WeakPolarHBondContact CE-O 3.2Å; K20-N63 PolarHBondContact NZ-O 2.74Å; R61-N63 WeakPolarHBondContact CD-OD1 3.5Å; R61-N63 WeakPolarHBondContact CG-OD1 3.26Å; R61-N63 PolarHBondContact NE-OD1 3Å; R61-N63 PolarHBondContact NH1-ND2 3.37Å; R61-N63 PolarHBondContact NH1-OD1 3.26Å; R61-N63 PolarHBondContact O-N 3.38Å; R61-N63 VanDerWaalsContact O-N 3.12Å
64	N	98.4	Very high	97.4	Very high	74 Å²	74	78.8 Å²	78.8	40%	0.396	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-89.3	-10.9	179.4	-65.9	-24.3	0	0	0	112.3	L19 K20 R61 G62	L19-N64 CarbonylContact C-O 3.57Å; L19-N64 WeakPolarHBondContact CA-O 3.33Å; K20-N64 PolarHBondContact N-O 3.19Å; R61-N64 WeakPolarHBondContact O-CB 3.49Å; R61-N64 PolarHBondContact O-N 3.03Å; G62-N64 PolarHBondContact O-N 3.37Å
65	I	98.5	Very high	97.1	Very high	15 Å²	15	73.9 Å²	73.9	8%	0.077	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136.3	177.8	-59.7	177.3	0	0	0	109.1	I17 L19 M36 I60 G62 F68	I17-I65 HydrophobicContact CG2-CB 4.49Å; I17-I65 HydrophobicContact CG2-CD1 4.47Å; I17-I65 HydrophobicContact CG2-CG1 4.17Å; I17-I65 HydrophobicContact CG2-CG2 3.77Å; L19-I65 HydrophobicContact CD2-CG1 4.22Å; M36-I65 WeakPolarHBondContact O-CD1 3.35Å; I60-I65 HydrophobicContact CG2-CD1 4.16Å; I60-I65 HydrophobicContact CG2-CG1 3.7Å; G62-I65 WeakPolarHBondContact O-CB 3.35Å; G62-I65 PolarHBondContact O-N 3.11Å; I65-F68 HydrophobicContact CD1-CE2 4.14Å; I65-F68 HydrophobicContact CD1-CZ 3.77Å; I65-F68 HydrophobicContact CG2-CD2 4.12Å; I65-F68 HydrophobicContact CG2-CE2 3.72Å; I65-F68 HydrophobicContact CG2-CZ 4.31Å
66	R	98.3	Very high	96.7	Very high	110 Å²	110	74.6 Å²	74.6	42%	0.415	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-50.9	172	174	166.8	29.8	130.2	-9.3	111	E18 L19 K20	E18-R66 VanDerWaalsContact CD-NH2 3.3Å; E18-R66 VanDerWaalsContact CG-NH2 3.29Å; E18-R66 WeakPolarHBondContact O-CB 3.45Å; E18-R66 PolarHBondContact O-N 2.94Å; E18-R66 IonicContact OE1-CZ 2.98Å; E18-R66 IonicContact OE1-NH1 2.73Å; E18-R66 PolarHBondContact OE1-NH1 2.85Å; E18-R66 IonicContact OE1-NH2 2.59Å; E18-R66 PolarHBondContact OE1-NH2 3.09Å; L19-R66 PolarHBondContact O-NE 3.02Å; L19-R66 PolarHBondContact O-NH2 2.83Å; K20-R66 HydrophobicContact CG-CB 4.25Å
67	Y	98.1	Very high	96.2	Very high	98 Å²	98	72.9 Å²	72.9	38%	0.384	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	164.4	172.1	50.2	-112.7	0	0	0	112.3	E18 I69	E18-Y67 HydrophobicContact CB-CD2 3.91Å; E18-Y67 HydrophobicContact CB-CE1 4.47Å; E18-Y67 HydrophobicContact CB-CE2 3.35Å; E18-Y67 HydrophobicContact CG-CE2 4.32Å; E18-Y67 PolarHBondContact N-O 3.05Å; E18-Y67 VanDerWaalsContact N-O 3.09Å; E18-Y67 PolarHBondContact O-N 2.75Å; E18-Y67 PolarHBondContact OE1-OH 2.92Å; E18-Y67 PolarHBondContact OE2-OH 3.21Å; Y67-I69 HydrophobicContact CD2-CG1 4.11Å; Y67-I69 HydrophobicContact CE2-CD1 4.2Å; Y67-I69 HydrophobicContact CE2-CG1 4.1Å
68	F	98	Very high	95.6	Very high	38 Å²	38	73.8 Å²	73.8	17%	0.167	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.7	167.5	-65.4	-104.5	0	0	0	108.9	L7 V15 I17 I29 T38 I65 L70	L7-F68 HydrophobicContact CD1-CD2 4.36Å; L7-F68 HydrophobicContact CD1-CE2 3.83Å; L7-F68 HydrophobicContact CD1-CZ 4.34Å; L7-F68 HydrophobicContact CD2-CD2 4.03Å; L7-F68 HydrophobicContact CD2-CE2 4.12Å; L7-F68 HydrophobicContact CD2-CG 4.3Å; L7-F68 HydrophobicContact CD2-CZ 4.45Å; V15-F68 HydrophobicContact CG2-CD1 4.36Å; I17-F68 HydrophobicContact CD1-CD1 3.86Å; I17-F68 HydrophobicContact CD1-CE1 3.5Å; I17-F68 VanDerWaalsContact CD1-CE1 3.5Å; I17-F68 HydrophobicContact CD1-CZ 4.27Å; I17-F68 HydrophobicContact CG1-CD1 3.78Å; I17-F68 HydrophobicContact CG1-CE1 3.97Å; I29-F68 HydrophobicContact CD1-CE1 4.44Å; T38-F68 HydrophobicContact CG2-CE1 4.27Å; I65-F68 HydrophobicContact CD1-CE2 4.14Å; I65-F68 HydrophobicContact CD1-CZ 3.77Å; I65-F68 HydrophobicContact CG2-CD2 4.12Å; I65-F68 HydrophobicContact CG2-CE2 3.72Å; I65-F68 HydrophobicContact CG2-CZ 4.31Å; F68-L70 HydrophobicContact CB-CD2 4.04Å
69	I	98.1	Very high	95	Very high	88 Å²	88	73.5 Å²	73.5	45%	0.451	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114	164.9	-54.1	173.5	0	0	0	105.6	T16 Y67	T16-I69 HydrophobicContact CG2-CD1 4.18Å; T16-I69 PolarHBondContact N-O 3.11Å; T16-I69 VanDerWaalsContact N-O 3.11Å; T16-I69 PolarHBondContact O-N 3.41Å; Y67-I69 HydrophobicContact CD2-CG1 4.11Å; Y67-I69 HydrophobicContact CE2-CD1 4.2Å; Y67-I69 HydrophobicContact CE2-CG1 4.1Å
70	L	96.8	Very high	94.4	Very high	47 Å²	47	73.9 Å²	73.9	25%	0.246	38%	0.382	C	S	.	.			trans	-92.6	153.6	-176.6	-55.4	177.5	0	0	0	110	F6 L10 V15 F68 L74 L76	F6-L70 HydrophobicContact CE1-CD1 3.92Å; F6-L70 HydrophobicContact CZ-CD1 3.8Å; L10-L70 HydrophobicContact CD1-CD2 3.64Å; V15-L70 HydrophobicContact CG1-CD2 4.06Å; F68-L70 HydrophobicContact CB-CD2 4.04Å; L70-L74 HydrophobicContact CB-CD2 4.07Å; L70-L74 HydrophobicContact CD1-CD2 3.89Å; L70-L74 HydrophobicContact CD2-CD2 4.33Å; L70-L74 HydrophobicContact CG-CD2 4.32Å; L70-L76 HydrophobicContact CD1-CD2 4.01Å
71	P	95.4	Very high	93.6	Very high	36 Å²	36	77.5 Å²	77.5	23%	0.234	41%	0.405	C	S	.	.			trans	-59.6	139.1	168.5	-22.5	33.4	0	0	0	111.5	T14 S73 L74	T14-P71 WeakPolarHBondContact O-CG 3.25Å; P71-S73 PolarHBondContact O-N 3.49Å; P71-L74 WeakPolarHBondContact O-CB 3.43Å; P71-L74 PolarHBondContact O-N 2.81Å
72	D	93.8	Very high	92.2	Very high	175 Å²	175	72.5 Å²	72.5	94%	0.936	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.6	176.7	-64.5	-21.1	0	0	0	112.5	L74	D72-L74 VanDerWaalsContact C-N 3.25Å; D72-L74 PolarHBondContact O-N 3.11Å
73	S	92.9	Very high	90.4	Very high	107 Å²	107	79.6 Å²	79.6	75%	0.748	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.9	178.1	59.8	0	0	0	0	114.1	P71 P75	P71-S73 PolarHBondContact O-N 3.49Å; S73-P75 WeakPolarHBondContact O-CD 3.16Å
74	L	94	Very high	88.6	Confident	10 Å²	10	84.3 Å²	84.3	5%	0.052	45%	0.446	C	S	.	.	S	Bend	trans	-70.5	122.7	-176.9	-172.5	74	0	0	0	110	F6 L10 E13 L70 P71 D72 L76 L79	F6-L74 HydrophobicContact CZ-CD2 4.07Å; L10-L74 HydrophobicContact CD2-CD1 4.25Å; L10-L74 HydrophobicContact CD2-CD2 3.62Å; E13-L74 VanDerWaalsContact CD-CD1 3.47Å; E13-L74 HydrophobicContact CG-CD1 3.77Å; L70-L74 HydrophobicContact CB-CD2 4.07Å; L70-L74 HydrophobicContact CD1-CD2 3.89Å; L70-L74 HydrophobicContact CD2-CD2 4.33Å; L70-L74 HydrophobicContact CG-CD2 4.32Å; P71-L74 WeakPolarHBondContact O-CB 3.43Å; P71-L74 PolarHBondContact O-N 2.81Å; D72-L74 VanDerWaalsContact C-N 3.25Å; D72-L74 PolarHBondContact O-N 3.11Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 HydrophobicContact CD2-CD2 3.83Å; L74-L76 HydrophobicContact CG-CD2 4.32Å; L74-L76 PolarHBondContact O-N 2.88Å; L74-L79 HydrophobicContact CD1-CD1 3.62Å; L74-L79 HydrophobicContact CD2-CD1 4.21Å; L74-L79 HydrophobicContact CG-CD1 3.77Å
75	P	92	Very high	86.8	Confident	71 Å²	71	85.8 Å²	85.8	46%	0.461	46%	0.46	S	S	.	.			trans	-76.1	81.6	-176.4	31	-35.4	0	0	0	111.6	S73 D77 T78 L79	S73-P75 WeakPolarHBondContact O-CD 3.16Å; P75-D77 VanDerWaalsContact C-N 3.35Å; P75-D77 PolarHBondContact O-N 2.99Å; P75-T78 PolarHBondContact O-N 2.8Å; P75-L79 HydrophobicContact CG-CD1 4.44Å; P75-L79 WeakPolarHBondContact O-CG 3.32Å; P75-L79 PolarHBondContact O-N 3.11Å
76	L	90.3	Very high	84.9	Confident	75 Å²	75	94.5 Å²	94.5	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-58.6	-41.9	-175.3	-64.3	-178.8	0	0	0	112.8	F6 L70 L74 T78 L79 L80	F6-L76 HydrophobicContact CE2-CD2 3.91Å; F6-L76 HydrophobicContact CZ-CD2 3.62Å; L70-L76 HydrophobicContact CD1-CD2 4.01Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 HydrophobicContact CD2-CD2 3.83Å; L74-L76 HydrophobicContact CG-CD2 4.32Å; L74-L76 PolarHBondContact O-N 2.88Å; L76-T78 VanDerWaalsContact C-N 3.28Å; L76-T78 PolarHBondContact O-N 2.79Å; L76-L79 PolarHBondContact O-N 2.83Å; L76-L79 VanDerWaalsContact O-N 3.13Å; L76-L80 HydrophobicContact CB-CD1 4.11Å; L76-L80 VanDerWaalsContact O-CB 3.26Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 2.84Å
77	D	86.6	Confident	83.2	Confident	140 Å²	140	96.7 Å²	96.7	75%	0.749	52%	0.515	S	S	*	.	H	α-helix	trans	-58.7	-41.3	-178.1	-65.4	-29.7	0	0	0	112.1	P75 V81	P75-D77 VanDerWaalsContact C-N 3.35Å; P75-D77 PolarHBondContact O-N 2.99Å; D77-V81 VanDerWaalsContact O-CG2 3.32Å; D77-V81 WeakPolarHBondContact O-CG2 3.4Å
78	T	86.2	Confident	81.4	Confident	106 Å²	106	101.3 Å²	101.3	65%	0.65	54%	0.537	S	S	*	.	H	α-helix	trans	-71.1	-41	177.6	-53.3	0	0	0	0	111.4	P75 L76	P75-T78 PolarHBondContact O-N 2.8Å; L76-T78 VanDerWaalsContact C-N 3.28Å; L76-T78 PolarHBondContact O-N 2.79Å
79	L	86.1	Confident	79.6	Confident	34 Å²	34	104.5 Å²	104.5	18%	0.178	57%	0.565	C	S	.	*	H	α-helix	trans	-80	-28	-173.1	-68.6	176.1	0	0	0	113.3	F6 K9 L10 L74 P75 L76 V81	F6-L79 HydrophobicContact CD2-CB 3.73Å; F6-L79 HydrophobicContact CE2-CB 3.58Å; F6-L79 HydrophobicContact CE2-CD1 4.22Å; K9-L79 HydrophobicContact CB-CD2 4.27Å; K9-L79 HydrophobicContact CD-CD2 4.27Å; K9-L79 WeakPolarHBondContact CD-O 3.26Å; K9-L79 PolarHBondContact NZ-O 3.23Å; L10-L79 HydrophobicContact CD2-CD1 4.37Å; L74-L79 HydrophobicContact CD1-CD1 3.62Å; L74-L79 HydrophobicContact CD2-CD1 4.21Å; L74-L79 HydrophobicContact CG-CD1 3.77Å; P75-L79 HydrophobicContact CG-CD1 4.44Å; P75-L79 WeakPolarHBondContact O-CG 3.32Å; P75-L79 PolarHBondContact O-N 3.11Å; L76-L79 PolarHBondContact O-N 2.83Å; L76-L79 VanDerWaalsContact O-N 3.13Å; L79-V81 VanDerWaalsContact C-N 3.3Å
80	L	85.8	Confident	77.6	Confident	89 Å²	89	109.6 Å²	109.6	47%	0.466	58%	0.583	S	S	.	*	H	α-helix	trans	-77.5	-15.3	178.9	-71.3	171.6	0	0	0	113.1	F6 L76 D82	F6-L80 HydrophobicContact CB-CD2 4.05Å; F6-L80 HydrophobicContact CD1-CD2 4.32Å; F6-L80 HydrophobicContact CD2-CD2 3.61Å; F6-L80 HydrophobicContact CD2-CG 4.03Å; F6-L80 HydrophobicContact CE2-CD2 4.12Å; F6-L80 HydrophobicContact CE2-CG 4.26Å; F6-L80 HydrophobicContact CG-CD2 3.72Å; L76-L80 HydrophobicContact CB-CD1 4.11Å; L76-L80 VanDerWaalsContact O-CB 3.26Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 2.84Å; L80-D82 PolarHBondContact O-N 2.75Å
81	V	82.2	Confident	75.6	Confident	89 Å²	89	116.5 Å²	116.5	54%	0.539	61%	0.611	S	S	.	*	S	Bend	trans	-73.8	121.7	174	177.3	0	0	0	0	109.7	K9 D77 L79 I83	K9-V81 PolarHBondContact NZ-O 3.34Å; D77-V81 VanDerWaalsContact O-CG2 3.32Å; D77-V81 WeakPolarHBondContact O-CG2 3.4Å; L79-V81 VanDerWaalsContact C-N 3.3Å; V81-I83 PolarHBondContact O-N 2.9Å
82	D	68.7	Low	73.7	Confident	53 Å²	53	126 Å²	126	28%	0.283	64%	0.642	S	S	.	*			trans	-73.3	114	167.6	-76	-44.1	0	0	0	108	K2 L80 E84	K2-D82 WeakPolarHBondContact CG-OD2 3.27Å; L80-D82 PolarHBondContact O-N 2.75Å; D82-E84 VanDerWaalsContact C-N 3.32Å; D82-E84 PolarHBondContact O-N 2.96Å
83	I	60.7	Low	71.8	Confident	151 Å²	151	126.1 Å²	126.1	77%	0.774	64%	0.637	S	S	*	*			trans	-68	101	163.7	-58	174.8	0	0	0	105.1	V81 P85	V81-I83 PolarHBondContact O-N 2.9Å; I83-P85 WeakPolarHBondContact O-CD 3.48Å; I83-P85 VanDerWaalsContact O-N 3.14Å
84	E	60.9	Low	69.8	Low	165 Å²	165	125.2 Å²	125.2	77%	0.771	64%	0.637	S	S	*	*			trans	-53.3	123.8	168.1	-76.3	-173	167	0	0	107.2	D82 K86	D82-E84 VanDerWaalsContact C-N 3.32Å; D82-E84 PolarHBondContact O-N 2.96Å; E84-K86 PolarHBondContact O-N 2.86Å
85	P	60.1	Low	68	Low	104 Å²	104	131.7 Å²	131.7	68%	0.675	68%	0.676	S	S	*	*			trans	-59.1	112.7	175.7	22.7	-29.6	0	0	0	105.9	I83 I87	I83-P85 WeakPolarHBondContact O-CD 3.48Å; I83-P85 VanDerWaalsContact O-N 3.14Å; P85-I87 VanDerWaalsContact C-N 3.28Å; P85-I87 PolarHBondContact O-N 2.74Å
86	K	57.8	Low	65.9	Low	199 Å²	199	133.2 Å²	133.2	87%	0.865	70%	0.695	S	S	*	*			trans	-53.4	102.5	172.2	-77.4	-176.1	177.7	178.8	0	105.6	E84 K88	E84-K86 PolarHBondContact O-N 2.86Å; K86-K88 PolarHBondContact O-N 2.73Å
87	I	62.3	Low	64	Low	156 Å²	156	132.7 Å²	132.7	80%	0.8	71%	0.707	S	S	*	*			trans	-61	98.5	173	-61.6	174.4	0	0	0	103	P85 S89	P85-I87 VanDerWaalsContact C-N 3.28Å; P85-I87 PolarHBondContact O-N 2.74Å; I87-S89 PolarHBondContact O-N 2.81Å
88	K	60.4	Low	62	Low	195 Å²	195	138.3 Å²	138.3	85%	0.848	72%	0.718	S	S	*	*			trans	-61.4	97.1	168.8	-77.7	-174.7	178.6	179.7	0	103.9	K86 K90	K86-K88 PolarHBondContact O-N 2.73Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 2.76Å
89	S	59.7	Low	59.9	Low	105 Å²	105	137 Å²	137	73%	0.734	73%	0.726	S	S	*	*			trans	-53.7	104.1	173.9	52.2	0	0	0	0	105.8	I87 K91	I87-S89 PolarHBondContact O-N 2.81Å; S89-K91 PolarHBondContact O-N 2.78Å
90	K	58.1	Low	58.1	Low	195 Å²	195	147.9 Å²	147.9	85%	0.848	77%	0.765	S	S	*	*			trans	-57.8	103.1	163.4	-82.3	-173.7	176.2	-178.5	0	104.1	K88 R92	K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 2.76Å; K90-R92 PolarHBondContact O-N 2.83Å
91	K	54.7	Low	56.2	Low	191 Å²	191	147.2 Å²	147.2	83%	0.83	78%	0.779	S	S	*	*			trans	-56.1	97.1	170.4	-160.4	-179.1	-174.9	-173.5	0	104.4	S89 E93	S89-K91 PolarHBondContact O-N 2.78Å; K91-E93 VanDerWaalsContact C-N 3.3Å; K91-E93 PolarHBondContact O-N 2.88Å
92	R	55.5	Low	54.6	Low	235 Å²	235	155.6 Å²	155.6	89%	0.887	80%	0.801	S	S	*	*			trans	-61.8	104.5	165.9	-81.4	-178.4	173	178.1	-2	103.5	K90 A94	K90-R92 PolarHBondContact O-N 2.83Å; R92-A94 VanDerWaalsContact C-N 3.27Å; R92-A94 PolarHBondContact O-N 2.97Å
93	E	52.7	Low	53.5	Low	178 Å²	178	156.7 Å²	156.7	83%	0.832	82%	0.824	S	S	*	*			trans	-57.3	103	163.8	-80.2	-178.7	152.5	0	0	106.2	K91 V95	K91-E93 VanDerWaalsContact C-N 3.3Å; K91-E93 PolarHBondContact O-N 2.88Å; E93-V95 PolarHBondContact O-N 3.15Å; E93-V95 VanDerWaalsContact O-N 3.15Å
94	A	51.4	Low	52.7	Low	89 Å²	89	161.9 Å²	161.9	74%	0.736	83%	0.834	S	S	*	*			trans	-63.1	115.1	169.9	0	0	0	0	0	106.5	R92 A96	R92-A94 VanDerWaalsContact C-N 3.27Å; R92-A94 PolarHBondContact O-N 2.97Å; A94-A96 VanDerWaalsContact C-N 3.29Å; A94-A96 PolarHBondContact O-N 3.02Å
95	V	55.4	Low	52	Low	145 Å²	145	157.7 Å²	157.7	88%	0.879	84%	0.835	S	S	*	*			trans	-55.7	95.9	165.1	-177.4	0	0	0	0	107.1	E93 G97	E93-V95 PolarHBondContact O-N 3.15Å; E93-V95 VanDerWaalsContact O-N 3.15Å; V95-G97 VanDerWaalsContact C-N 3.31Å; V95-G97 PolarHBondContact O-N 2.86Å
96	A	48.6	Very low	51.2	Low	103 Å²	103	165.2 Å²	165.2	85%	0.851	85%	0.85	S	S	*	*			trans	-79	83.2	176.8	0	0	0	0	0	109.3	A94	A94-A96 VanDerWaalsContact C-N 3.29Å; A94-A96 PolarHBondContact O-N 3.02Å
97	G	49.2	Very low	50.8	Low	64 Å²	64	159.6 Å²	159.6	66%	0.66	85%	0.848	S	S	*	*			trans	-75.7	136.5	159	0	0	0	0	0	111	V95	V95-G97 VanDerWaalsContact C-N 3.31Å; V95-G97 PolarHBondContact O-N 2.86Å
98	R	46.4	Very low	50.1	Low	258 Å²	258	164.6 Å²	164.6	97%	0.974	86%	0.857	S	S	*	*			trans	105.8	103.9	161.8	-70	179.4	160.3	173.7	-3.5	117.4
99	G	41.4	Very low	49.3	Very low	79 Å²	79	159 Å²	159	81%	0.814	86%	0.855	S	S	*	*			trans	-146.5	98.8	152.9	0	0	0	0	0	110.6	G101	G99-G101 PolarHBondContact O-N 3.48Å
100	R	48.8	Very low	48.7	Very low	263 Å²	263	157.7 Å²	157.7	99%	0.992	86%	0.858	S	S	*	*			trans	-61.5	124.3	170.1	-78.8	171.8	163.3	177.4	-5.5	109.6
101	G	45.4	Very low	48.2	Very low	74 Å²	74	154.4 Å²	154.4	76%	0.763	86%	0.857	S	S	*	*			trans	-138.1	98.7	171.1	0	0	0	0	0	111.4	G99 G103	G99-G101 PolarHBondContact O-N 3.48Å; G101-G103 PolarHBondContact O-N 3.39Å
102	R	47.7	Very low	47.8	Very low	266 Å²	266	157.1 Å²	157.1	100%	1.004	86%	0.862	S	S	*	*			trans	-62.1	119.1	167.3	-84	172	162.3	178	-5.6	109.1
103	G	46.7	Very low	47.6	Very low	75 Å²	75	161.2 Å²	161.2	77%	0.773	88%	0.877	S	S	*	*			trans	-138.7	105.5	170.6	0	0	0	0	0	110.9	G101	G101-G103 PolarHBondContact O-N 3.39Å
104	R	44.3	Very low	47.3	Very low	261 Å²	261	160.4 Å²	160.4	99%	0.985	88%	0.879	S	S	*	*			trans	-60.4	138.1	176.8	-67.9	166.7	160.8	177.5	-7.2	111.3
105	G	45.3	Very low	47.1	Very low	76 Å²	76	164.1 Å²	164.1	78%	0.784	89%	0.887	S	S	*	*			trans	-171.2	93.5	168.7	0	0	0	0	0	113.2
106	R	44.3	Very low	46.6	Very low	263 Å²	263	165.2 Å²	165.2	99%	0.992	89%	0.887	S	S	*	*			trans	-53	141.4	173.6	-77.6	160.5	162.8	-171.5	-4.7	112.1
107	G	47.5	Very low	46.5	Very low	80 Å²	80	168.8 Å²	168.8	83%	0.825	89%	0.889	S	S	*	*			trans	-176.2	80.2	164.6	0	0	0	0	0	113.4
108	R	48.6	Very low	46.3	Very low	261 Å²	261	175.4 Å²	175.4	99%	0.985	90%	0.904	S	S	*	*			trans	-57.5	142.1	163.1	-82.9	172.8	162.6	-179.7	-7	110.2
109	G	43.3	Very low	46.3	Very low	78 Å²	78	169.9 Å²	169.9	80%	0.804	90%	0.899	S	S	*	*			trans	150.2	89.5	145.1	0	0	0	0	0	118.1
110	G	47.8	Very low	46.7	Very low	78 Å²	78	176.4 Å²	176.4	80%	0.804	91%	0.905	S	S	*	*				74.3	163.5	125.1	0	0	0	0	0	121
111	P	46.8	Very low	46.5	Very low	126 Å²	126	169.7 Å²	169.7	82%	0.818	90%	0.898	S	S	*	*			trans	-106.7	164.7	-136	38.9	-32.3	0	0	0	113.8
112	R	46.1	Very low	46.6	Very low	248 Å²	248	177.7 Å²	177.7	94%	0.936	91%	0.91	S	S	*	*			trans	-131.6	131.8	158.3	-69	-171	119.3	90.7	-2	110.6
113	R	51.3	Low	46.5	Very low	320 Å²	320	169.6 Å²	169.6	100%	1.208	90%	0.901	S	S	*	*			trans	-59.9	0	170.1	-68.3	177.7	171.5	-139.1	-0.9	111.4

Retrieved 113 of 113 residues in 20.7 ms (Link to these results)

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