A0A3Q0KSE8_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 aa.

						>A0A3Q0KSE8_SCHMA|A0A3Q0KSE8
MYDFIVHHWNESVDGQLTLENMLKKLKSEGCSCIKYKFTPGTNFPEHTHDEDKLDCIVSGQLSFSMYGKEIILGPGDRLEVPRNIPHSARVVGKNPLVFVDATRRR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	63.6	Low	93.6	Very high	217 Å²	217	96 Å²	96	100%	1.069	46%	0.455	S	S	*	.				0	130.2	0	-174.6	179.7	-79.7	0	0	106.4
2	Y	87.3	Confident	94	Very high	176 Å²	176	98.1 Å²	98.1	69%	0.69	49%	0.488	S	S	*	.			trans	-74.3	149.9	179.4	-64.6	-81.7	0	0	0	110.4	Y67	Y2-Y67 VanDerWaalsContact CB-CZ 3.49Å; Y2-Y67 HydrophobicContact CD2-CE1 4.39Å; Y2-Y67 HydrophobicContact CG-CE1 4.07Å
3	D	93.3	Very high	94.2	Very high	91 Å²	91	98.7 Å²	98.7	49%	0.487	50%	0.5	S	S	.	.			trans	-140.5	169.7	179.4	-141.8	-12.9	0	0	0	110.6	K69	D3-K69 IonicContact OD1-NZ 3.23Å; D3-K69 PolarHBondContact OD1-NZ 2.95Å; D3-K69 IonicContact OD2-NZ 3.43Å; D3-K69 PolarHBondContact OD2-NZ 2.93Å
4	F	98.1	Very high	94.4	Very high	32 Å²	32	94.2 Å²	94.2	14%	0.14	48%	0.478	C	S	.	.			trans	-66	135.8	173	-58.3	-88	0	0	0	110.9	V6 F64 M66 K69 I71 L79	F4-V6 HydrophobicContact CB-CG2 4.18Å; F4-F64 HydrophobicContact CE1-CD1 4.12Å; F4-M66 HydrophobicContact CB-CE 4.2Å; F4-M66 HydrophobicContact CD1-CE 3.33Å; F4-M66 HydrophobicContact CD1-CG 3.9Å; F4-M66 HydrophobicContact CD1-SD 4.4Å; F4-M66 HydrophobicContact CE1-CE 3.89Å; F4-M66 HydrophobicContact CE1-CG 3.39Å; F4-M66 HydrophobicContact CE1-SD 4.43Å; F4-M66 HydrophobicContact CG-CE 3.92Å; F4-M66 HydrophobicContact CZ-CG 3.99Å; F4-K69 HydrophobicContact CE2-CB 3.55Å; F4-K69 HydrophobicContact CE2-CD 4.3Å; F4-K69 HydrophobicContact CZ-CB 4.04Å; F4-I71 HydrophobicContact CD1-CB 4.48Å; F4-I71 HydrophobicContact CD1-CG2 3.64Å; F4-I71 HydrophobicContact CD2-CB 4.34Å; F4-I71 HydrophobicContact CD2-CG2 4.34Å; F4-I71 HydrophobicContact CE1-CB 4.33Å; F4-I71 HydrophobicContact CE1-CG2 3.51Å; F4-I71 HydrophobicContact CE2-CB 4.15Å; F4-I71 HydrophobicContact CE2-CG2 4.2Å; F4-I71 HydrophobicContact CG-CD1 4.5Å; F4-I71 HydrophobicContact CG-CG2 4.08Å; F4-I71 HydrophobicContact CZ-CB 4.17Å; F4-I71 HydrophobicContact CZ-CG2 3.82Å; F4-L79 HydrophobicContact CB-CD1 4.02Å; F4-L79 HydrophobicContact CD1-CD1 3.78Å; F4-L79 HydrophobicContact CD1-CD2 4.23Å; F4-L79 HydrophobicContact CG-CD1 4.4Å
5	I	98.1	Very high	94.6	Very high	85 Å²	85	89.9 Å²	89.9	44%	0.436	47%	0.466	S	S	.	.			trans	-110.1	105.2	166.6	-57.9	176	0	0	0	106.9	E80	I5-E80 HydrophobicContact CB-CB 4.2Å; I5-E80 HydrophobicContact CB-CG 4.32Å; I5-E80 HydrophobicContact CG2-CG 4.26Å; I5-E80 WeakPolarHBondContact CG2-OE1 3.28Å; I5-E80 PolarHBondContact O-N 3.26Å
6	V	98.6	Very high	94.9	Very high	33 Å²	33	93 Å²	93	20%	0.2	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.1	-179.9	-173.7	0	0	0	0	109	F4 I71 L73 D77 L79	F4-V6 HydrophobicContact CB-CG2 4.18Å; V6-I71 HydrophobicContact CG2-CD1 4.03Å; V6-L73 HydrophobicContact CG1-CD2 4.27Å; V6-L73 HydrophobicContact CG2-CD2 4.08Å; V6-D77 HydrophobicContact CG1-CB 3.85Å; V6-L79 HydrophobicContact CG2-CD1 3.85Å
7	H	98.4	Very high	95.1	Very high	70 Å²	70	89.6 Å²	89.6	32%	0.324	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.9	170.8	-57.9	-88	0	0	0	109.1	D77 R78 E80	H7-D77 CarbonylContact O-C 3.53Å; H7-R78 HydrophobicContact CB-CB 4.34Å; H7-R78 PolarHBondContact N-O 3.23Å; H7-R78 PolarHBondContact O-N 2.93Å; H7-E80 IonicContact CD2-OE1 3.69Å; H7-E80 IonicContact CE1-OE1 2.75Å; H7-E80 IonicContact NE2-OE1 3.73Å; H7-E80 PolarHBondContact NE2-OE1 2.82Å
8	H	98.5	Very high	95.3	Very high	131 Å²	131	86.9 Å²	86.9	61%	0.606	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	141	178.3	-57.6	-64.5	0	0	0	111	D77	H8-D77 IonicContact CE1-OD1 3.27Å; H8-D77 PolarHBondContact CE1-OD1 3.49Å; H8-D77 VanDerWaalsContact CE1-OD1 3.27Å; H8-D77 IonicContact CG-OD1 3.9Å; H8-D77 IonicContact ND1-OD1 2.97Å; H8-D77 PolarHBondContact ND1-OD1 3.14Å
9	W	98.5	Very high	95.5	Very high	31 Å²	31	85.3 Å²	85.3	12%	0.117	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.7	136.2	176	-168.7	-97.3	0	0	0	111.7	D14 G15 L17 N21 M22 K25 G76	W9-D14 HydrophobicContact CD2-CB 4.27Å; W9-D14 HydrophobicContact CH2-CB 3.71Å; W9-D14 HydrophobicContact CZ2-CB 3.3Å; W9-D14 HydrophobicContact CZ3-CB 4.37Å; W9-G15 PolarHBondContact NE1-O 3.06Å; W9-L17 HydrophobicContact CB-CD1 4.4Å; W9-L17 HydrophobicContact CD2-CD1 3.73Å; W9-L17 HydrophobicContact CE3-CD1 4.09Å; W9-L17 HydrophobicContact CG-CB 4.34Å; W9-L17 HydrophobicContact CG-CD1 3.87Å; W9-N21 HydrophobicContact CH2-CB 4.11Å; W9-N21 HydrophobicContact CZ2-CB 3.8Å; W9-M22 HydrophobicContact CE3-CE 3.66Å; W9-M22 HydrophobicContact CE3-SD 3.91Å; W9-M22 HydrophobicContact CH2-CB 4.35Å; W9-M22 HydrophobicContact CZ3-CB 4.21Å; W9-M22 HydrophobicContact CZ3-CE 3.84Å; W9-M22 HydrophobicContact CZ3-CG 4.49Å; W9-M22 HydrophobicContact CZ3-SD 3.52Å; W9-M22 VanDerWaalsContact CZ3-SD 3.52Å; W9-K25 HydrophobicContact CE3-CD 4.21Å; W9-K25 HydrophobicContact CH2-CB 4.05Å; W9-K25 HydrophobicContact CH2-CD 3.94Å; W9-K25 HydrophobicContact CZ3-CB 4.17Å; W9-K25 HydrophobicContact CZ3-CD 3.49Å; W9-K25 VanDerWaalsContact CZ3-CD 3.49Å; W9-K25 HydrophobicContact CZ3-CG 4.47Å; W9-G76 VanDerWaalsContact CB-CA 3.47Å; W9-G76 WeakPolarHBondContact CB-O 3.37Å; W9-G76 PolarHBondContact N-O 3.24Å
10	N	97.9	Very high	95.6	Very high	77 Å²	77	88.7 Å²	88.7	41%	0.412	46%	0.455	S	S	.	.			trans	-114.1	99.1	178	-175.9	-19.5	0	0	0	110	S12 V13 D14	N10-S12 PolarHBondContact O-N 3.49Å; N10-S12 WeakPolarHBondContact OD1-CB 3.4Å; N10-S12 PolarHBondContact OD1-N 2.85Å; N10-S12 VanDerWaalsContact OD1-N 3.1Å; N10-V13 HydrophobicContact CB-CB 4.34Å; N10-V13 PolarHBondContact O-N 3.1Å; N10-V13 PolarHBondContact OD1-N 3.1Å; N10-D14 WeakPolarHBondContact O-CB 3.39Å; N10-D14 PolarHBondContact O-N 3.42Å
11	E	97.7	Very high	95.7	Very high	113 Å²	113	86.4 Å²	86.4	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-64.1	-24.9	-176.3	-65.7	-161.9	144.7	0	0	114.2	V13 G15 L17	E11-V13 PolarHBondContact O-N 3.4Å; E11-G15 WeakPolarHBondContact CA-O 3.46Å; E11-G15 CarbonylContact O-C 3.48Å; E11-G15 VanDerWaalsContact O-CA 3.22Å; E11-G15 WeakPolarHBondContact O-CA 3.19Å; E11-G15 PolarHBondContact O-N 2.81Å; E11-G15 VanDerWaalsContact O-N 3.08Å; E11-L17 PolarHBondContact OE1-N 3.19Å
12	S	97.7	Very high	97.4	Very high	121 Å²	121	76 Å²	76	85%	0.846	39%	0.392	S	S	*	.	H	α-helix	trans	-71.8	-22.4	177.3	-60	0	0	0	0	112.6	N10	N10-S12 PolarHBondContact O-N 3.49Å; N10-S12 WeakPolarHBondContact OD1-CB 3.4Å; N10-S12 PolarHBondContact OD1-N 2.85Å; N10-S12 VanDerWaalsContact OD1-N 3.1Å
13	V	96.9	Very high	98	Very high	106 Å²	106	68.8 Å²	68.8	64%	0.642	37%	0.365	S	S	*	.	H	α-helix	trans	-105.5	-46	-178.4	176.9	0	0	0	0	111.1	N10 E11	N10-V13 HydrophobicContact CB-CB 4.34Å; N10-V13 PolarHBondContact O-N 3.1Å; N10-V13 PolarHBondContact OD1-N 3.1Å; E11-V13 PolarHBondContact O-N 3.4Å
14	D	97.5	Very high	98.2	Very high	36 Å²	36	71.7 Å²	71.7	19%	0.193	37%	0.374	C	S	.	.	H	α-helix	trans	-99.7	-3.2	-170.3	-58.4	-52.1	0	0	0	112.9	W9 N10 K25	W9-D14 HydrophobicContact CD2-CB 4.27Å; W9-D14 HydrophobicContact CH2-CB 3.71Å; W9-D14 HydrophobicContact CZ2-CB 3.3Å; W9-D14 HydrophobicContact CZ3-CB 4.37Å; N10-D14 WeakPolarHBondContact O-CB 3.39Å; N10-D14 PolarHBondContact O-N 3.42Å; D14-K25 HydrophobicContact CB-CD 4.42Å; D14-K25 IonicContact OD1-NZ 3.58Å; D14-K25 PolarHBondContact OD1-NZ 3.46Å; D14-K25 WeakPolarHBondContact OD2-CE 3.45Å; D14-K25 IonicContact OD2-NZ 2.67Å; D14-K25 PolarHBondContact OD2-NZ 3.15Å
15	G	97.6	Very high	98.2	Very high	29 Å²	29	71.8 Å²	71.8	30%	0.299	37%	0.374	S	S	.	.			trans	77.1	-175.3	-175.2	0	0	0	0	0	113	W9 E11 L17	W9-G15 PolarHBondContact NE1-O 3.06Å; E11-G15 WeakPolarHBondContact CA-O 3.46Å; E11-G15 CarbonylContact O-C 3.48Å; E11-G15 VanDerWaalsContact O-CA 3.22Å; E11-G15 WeakPolarHBondContact O-CA 3.19Å; E11-G15 PolarHBondContact O-N 2.81Å; E11-G15 VanDerWaalsContact O-N 3.08Å; G15-L17 PolarHBondContact O-N 3.08Å
16	Q	98.4	Very high	98.1	Very high	140 Å²	140	67.7 Å²	67.7	65%	0.654	35%	0.353	S	S	*	.	S	Bend	trans	-53.1	137.3	178.7	-177.5	178.8	54	0	0	110.9	T18 N21	Q16-T18 HydrophobicContact CB-CG2 4.41Å; Q16-T18 HydrophobicContact CG-CG2 4.14Å; Q16-T18 PolarHBondContact O-N 3.42Å; Q16-N21 PolarHBondContact O-ND2 2.96Å
17	L	98.6	Very high	98	Very high	35 Å²	35	72.8 Å²	72.8	18%	0.183	37%	0.372	C	S	.	.			trans	-63	104.3	174.2	178.7	64.7	0	0	0	110.6	W9 E11 G15 M22 P75	W9-L17 HydrophobicContact CB-CD1 4.4Å; W9-L17 HydrophobicContact CD2-CD1 3.73Å; W9-L17 HydrophobicContact CE3-CD1 4.09Å; W9-L17 HydrophobicContact CG-CB 4.34Å; W9-L17 HydrophobicContact CG-CD1 3.87Å; E11-L17 PolarHBondContact OE1-N 3.19Å; G15-L17 PolarHBondContact O-N 3.08Å; L17-M22 HydrophobicContact CD1-CE 3.72Å; L17-P75 HydrophobicContact CD2-CB 3.5Å
18	T	98.5	Very high	97.9	Very high	41 Å²	41	74.1 Å²	74.1	25%	0.252	39%	0.389	S	S	.	.			trans	-136	159.6	173.7	67	0	0	0	0	109.3	Q16 E20 N21 M22	Q16-T18 HydrophobicContact CB-CG2 4.41Å; Q16-T18 HydrophobicContact CG-CG2 4.14Å; Q16-T18 PolarHBondContact O-N 3.42Å; T18-E20 PolarHBondContact O-N 3.48Å; T18-N21 PolarHBondContact O-N 3Å; T18-N21 PolarHBondContact OG1-N 3.22Å; T18-N21 VanDerWaalsContact OG1-N 3.1Å; T18-N21 PolarHBondContact OG1-ND2 3.15Å; T18-M22 WeakPolarHBondContact O-CB 3.44Å; T18-M22 PolarHBondContact O-N 3.1Å
19	L	98.6	Very high	97.7	Very high	57 Å²	57	71.6 Å²	71.6	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-58.1	-36.7	174.3	179.7	59.3	0	0	0	111.8	L23 K35 V58 V100	L19-L23 HydrophobicContact CD1-CD1 4.4Å; L19-L23 HydrophobicContact CD1-CG 4.33Å; L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CB 3.33Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 2.83Å; L19-K35 HydrophobicContact CD1-CD 4.06Å; L19-K35 HydrophobicContact CD1-CG 4.12Å; L19-K35 HydrophobicContact CD2-CD 3.83Å; L19-K35 HydrophobicContact CG-CD 4.21Å; L19-V58 HydrophobicContact CB-CG1 4.13Å; L19-V58 HydrophobicContact CD1-CG2 3.99Å; L19-V100 HydrophobicContact CD1-CG2 3.73Å
20	E	98.4	Very high	97.5	Very high	153 Å²	153	72.6 Å²	72.6	72%	0.715	40%	0.398	S	S	*	.	H	α-helix	trans	-64.7	-50.2	178.4	-176.1	178.3	172.3	0	0	111.5	T18 L23 K24	T18-E20 PolarHBondContact O-N 3.48Å; E20-L23 PolarHBondContact O-N 3.02Å; E20-K24 WeakPolarHBondContact O-CB 3.22Å; E20-K24 PolarHBondContact O-N 3.23Å
21	N	98.6	Very high	97.4	Very high	40 Å²	40	69.8 Å²	69.8	21%	0.214	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-39.9	179.6	-71.8	-21	0	0	0	111.6	W9 Q16 T18 L23 K24 K25	W9-N21 HydrophobicContact CH2-CB 4.11Å; W9-N21 HydrophobicContact CZ2-CB 3.8Å; Q16-N21 PolarHBondContact O-ND2 2.96Å; T18-N21 PolarHBondContact O-N 3Å; T18-N21 PolarHBondContact OG1-N 3.22Å; T18-N21 VanDerWaalsContact OG1-N 3.1Å; T18-N21 PolarHBondContact OG1-ND2 3.15Å; N21-L23 PolarHBondContact O-N 2.93Å; N21-K24 PolarHBondContact O-N 2.9Å; N21-K25 WeakPolarHBondContact O-CB 3.25Å; N21-K25 PolarHBondContact O-N 2.84Å
22	M	98.7	Very high	97.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-56.7	-49	174.2	-177.1	67.9	76.1	0	0	111.3	W9 L17 T18 K24 K25 L26 C56 V58 R78 V100	W9-M22 HydrophobicContact CE3-CE 3.66Å; W9-M22 HydrophobicContact CE3-SD 3.91Å; W9-M22 HydrophobicContact CH2-CB 4.35Å; W9-M22 HydrophobicContact CZ3-CB 4.21Å; W9-M22 HydrophobicContact CZ3-CE 3.84Å; W9-M22 HydrophobicContact CZ3-CG 4.49Å; W9-M22 HydrophobicContact CZ3-SD 3.52Å; W9-M22 VanDerWaalsContact CZ3-SD 3.52Å; L17-M22 HydrophobicContact CD1-CE 3.72Å; T18-M22 WeakPolarHBondContact O-CB 3.44Å; T18-M22 PolarHBondContact O-N 3.1Å; M22-K24 PolarHBondContact O-N 3.33Å; M22-K25 PolarHBondContact O-N 2.8Å; M22-L26 HydrophobicContact CG-CD1 3.89Å; M22-L26 WeakPolarHBondContact O-CG 3.13Å; M22-L26 PolarHBondContact O-N 2.9Å; M22-L26 HydrophobicContact SD-CD1 4.14Å; M22-C56 HydrophobicContact CE-CB 4.16Å; M22-C56 HydrophobicContact CG-CB 4.27Å; M22-C56 HydrophobicContact SD-CB 3.73Å; M22-V58 HydrophobicContact CB-CG2 4.11Å; M22-V58 HydrophobicContact CE-CG2 4.41Å; M22-V58 HydrophobicContact CG-CG2 4.06Å; M22-R78 HydrophobicContact CE-CG 4.32Å; M22-R78 HydrophobicContact SD-CG 4.2Å; M22-V100 HydrophobicContact CG-CG2 4.1Å
23	L	98.5	Very high	97.4	Very high	23 Å²	23	62.8 Å²	62.8	12%	0.12	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-40.1	176.7	-75.8	175.2	0	0	0	112.7	L19 E20 N21 K25 K27 C33 K35 V100	L19-L23 HydrophobicContact CD1-CD1 4.4Å; L19-L23 HydrophobicContact CD1-CG 4.33Å; L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CB 3.33Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 2.83Å; E20-L23 PolarHBondContact O-N 3.02Å; N21-L23 PolarHBondContact O-N 2.93Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K27 VanDerWaalsContact O-CB 3.3Å; L23-K27 WeakPolarHBondContact O-CB 3.24Å; L23-K27 WeakPolarHBondContact O-CG 3.46Å; L23-K27 PolarHBondContact O-N 3.31Å; L23-C33 HydrophobicContact CD2-CB 3.64Å; L23-K35 HydrophobicContact CD1-CD 3.82Å; L23-K35 HydrophobicContact CD1-CG 4.3Å; L23-K35 HydrophobicContact CD2-CG 4.22Å; L23-V100 HydrophobicContact CD2-CG1 4Å; L23-V100 HydrophobicContact CD2-CG2 4.08Å; L23-V100 HydrophobicContact CG-CG2 4.47Å
24	K	97.9	Very high	97.4	Very high	153 Å²	153	62.3 Å²	62.3	67%	0.665	34%	0.34	S	S	*	.	H	α-helix	trans	-60.6	-45.8	177.5	-176.3	-177.8	177.3	-175.3	0	110.6	E20 N21 M22 S28	E20-K24 WeakPolarHBondContact O-CB 3.22Å; E20-K24 PolarHBondContact O-N 3.23Å; N21-K24 PolarHBondContact O-N 2.9Å; M22-K24 PolarHBondContact O-N 3.33Å; K24-S28 WeakPolarHBondContact O-CB 3.29Å; K24-S28 PolarHBondContact O-N 3.29Å
25	K	97.8	Very high	97.5	Very high	33 Å²	33	66.4 Å²	66.4	14%	0.143	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-56.1	176.4	-175.7	179.4	-175	66	0	111.3	W9 D14 N21 M22 L23 K27 S28 E29	W9-K25 HydrophobicContact CE3-CD 4.21Å; W9-K25 HydrophobicContact CH2-CB 4.05Å; W9-K25 HydrophobicContact CH2-CD 3.94Å; W9-K25 HydrophobicContact CZ3-CB 4.17Å; W9-K25 HydrophobicContact CZ3-CD 3.49Å; W9-K25 VanDerWaalsContact CZ3-CD 3.49Å; W9-K25 HydrophobicContact CZ3-CG 4.47Å; D14-K25 HydrophobicContact CB-CD 4.42Å; D14-K25 IonicContact OD1-NZ 3.58Å; D14-K25 PolarHBondContact OD1-NZ 3.46Å; D14-K25 WeakPolarHBondContact OD2-CE 3.45Å; D14-K25 IonicContact OD2-NZ 2.67Å; D14-K25 PolarHBondContact OD2-NZ 3.15Å; N21-K25 WeakPolarHBondContact O-CB 3.25Å; N21-K25 PolarHBondContact O-N 2.84Å; M22-K25 PolarHBondContact O-N 2.8Å; L23-K25 VanDerWaalsContact C-N 3.33Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 3.04Å; K25-S28 WeakPolarHBondContact O-CA 3.48Å; K25-S28 WeakPolarHBondContact O-CB 3.38Å; K25-S28 PolarHBondContact O-N 3.26Å; K25-S28 PolarHBondContact O-OG 2.9Å; K25-E29 WeakPolarHBondContact CE-OE1 3.46Å; K25-E29 IonicContact NZ-OE1 2.99Å; K25-E29 WeakPolarHBondContact O-CG 3.43Å; K25-E29 PolarHBondContact O-N 3.3Å
26	L	97.5	Very high	97.5	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-38.4	-177.5	-67.9	165.6	0	0	0	112.5	M22 E29 G30 C31 C33 L54 C56 V100 A102	M22-L26 HydrophobicContact CG-CD1 3.89Å; M22-L26 WeakPolarHBondContact O-CG 3.13Å; M22-L26 PolarHBondContact O-N 2.9Å; M22-L26 HydrophobicContact SD-CD1 4.14Å; L26-E29 CarbonylContact O-C 3.48Å; L26-E29 PolarHBondContact O-N 2.89Å; L26-G30 PolarHBondContact O-N 3.43Å; L26-C31 HydrophobicContact CB-CB 4.22Å; L26-C31 VanDerWaalsContact O-CB 3.31Å; L26-C31 WeakPolarHBondContact O-CB 3.44Å; L26-C31 PolarHBondContact O-N 2.9Å; L26-C33 VanDerWaalsContact CB-SG 3.5Å; L26-L54 HydrophobicContact CD2-CD1 4.23Å; L26-C56 HydrophobicContact CD1-CB 4.23Å; L26-V100 HydrophobicContact CD1-CB 3.97Å; L26-V100 HydrophobicContact CD1-CG1 3.68Å; L26-A102 HydrophobicContact CD1-CB 4.04Å; L26-A102 HydrophobicContact CD2-CB 3.92Å; L26-A102 HydrophobicContact CG-CB 4.42Å
27	K	95.9	Very high	97.5	Very high	139 Å²	139	70 Å²	70	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-64.6	-40.1	173.1	-74.2	175.4	-179.9	-176.4	0	112.5	L23 K25 E29 G30	L23-K27 VanDerWaalsContact O-CB 3.3Å; L23-K27 WeakPolarHBondContact O-CB 3.24Å; L23-K27 WeakPolarHBondContact O-CG 3.46Å; L23-K27 PolarHBondContact O-N 3.31Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 3.04Å; K27-E29 PolarHBondContact O-N 2.8Å; K27-G30 PolarHBondContact O-N 2.89Å
28	S	95.6	Very high	97.5	Very high	98 Å²	98	70.7 Å²	70.7	69%	0.685	36%	0.361	S	S	*	.	H	α-helix	trans	-66.3	-26.7	175.6	75.7	0	0	0	0	112.7	K24 K25 G30	K24-S28 WeakPolarHBondContact O-CB 3.29Å; K24-S28 PolarHBondContact O-N 3.29Å; K25-S28 WeakPolarHBondContact O-CA 3.48Å; K25-S28 WeakPolarHBondContact O-CB 3.38Å; K25-S28 PolarHBondContact O-N 3.26Å; K25-S28 PolarHBondContact O-OG 2.9Å; S28-G30 PolarHBondContact O-N 3.27Å
29	E	95.1	Very high	97.5	Very high	78 Å²	78	73.3 Å²	73.3	36%	0.364	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.4	172.5	-65.8	169.7	172	0	0	112.6	K25 L26 K27 R78	K25-E29 WeakPolarHBondContact CE-OE1 3.46Å; K25-E29 IonicContact NZ-OE1 2.99Å; K25-E29 WeakPolarHBondContact O-CG 3.43Å; K25-E29 PolarHBondContact O-N 3.3Å; L26-E29 CarbonylContact O-C 3.48Å; L26-E29 PolarHBondContact O-N 2.89Å; K27-E29 PolarHBondContact O-N 2.8Å; E29-R78 IonicContact OE1-CZ 3.73Å; E29-R78 IonicContact OE1-NH1 2.93Å; E29-R78 PolarHBondContact OE1-NH1 2.95Å; E29-R78 IonicContact OE1-NH2 2.74Å; E29-R78 IonicContact OE2-NH1 3.82Å; E29-R78 PolarHBondContact OE2-NH1 2.94Å
30	G	94.5	Very high	97.5	Very high	52 Å²	52	73.1 Å²	73.1	54%	0.536	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	15.7	177.3	0	0	0	0	0	114.9	L26 K27 S28	L26-G30 PolarHBondContact O-N 3.43Å; K27-G30 PolarHBondContact O-N 2.89Å; S28-G30 PolarHBondContact O-N 3.27Å
31	C	96.3	Very high	97.5	Very high	19 Å²	19	68.4 Å²	68.4	13%	0.128	37%	0.372	C	S	.	.			trans	-81.5	141.5	-179.6	-62.2	0	0	0	0	113	L26 A102 T103	L26-C31 HydrophobicContact CB-CB 4.22Å; L26-C31 VanDerWaalsContact O-CB 3.31Å; L26-C31 WeakPolarHBondContact O-CB 3.44Å; L26-C31 PolarHBondContact O-N 2.9Å; C31-A102 HydrophobicContact CB-CB 3.98Å; C31-T103 CarbonylContact C-O 3.56Å; C31-T103 WeakPolarHBondContact CA-O 3.4Å
32	S	96.7	Very high	97.5	Very high	51 Å²	51	68.3 Å²	68.3	36%	0.357	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.4	157.1	-66.6	0	0	0	0	108.4	A102 T103	S32-A102 CarbonylContact O-C 3.58Å; S32-A102 VanDerWaalsContact O-CA 3.27Å; S32-A102 WeakPolarHBondContact O-CA 3.45Å; S32-T103 PolarHBondContact N-O 3.13Å; S32-T103 PolarHBondContact O-N 2.75Å
33	C	97.8	Very high	97.5	Very high	36 Å²	36	72.7 Å²	72.7	24%	0.243	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.3	-170.7	-61.3	0	0	0	0	111.1	L23 L26 V100 D101	L23-C33 HydrophobicContact CD2-CB 3.64Å; L26-C33 VanDerWaalsContact CB-SG 3.5Å; C33-V100 HydrophobicContact CB-CG1 3.7Å; C33-D101 WeakPolarHBondContact CA-O 3.4Å
34	I	97.7	Very high	97.5	Very high	95 Å²	95	74.1 Å²	74.1	49%	0.487	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.7	169.6	-53.5	177.4	0	0	0	108.5	Y36 V100 D101	I34-Y36 HydrophobicContact CB-CE2 3.92Å; I34-Y36 HydrophobicContact CG2-CD2 4.23Å; I34-Y36 HydrophobicContact CG2-CE1 4.18Å; I34-Y36 HydrophobicContact CG2-CE2 3.51Å; I34-Y36 VanDerWaalsContact CG2-CZ 3.48Å; I34-V100 CarbonylContact O-C 3.55Å; I34-V100 WeakPolarHBondContact O-CA 3.36Å; I34-D101 PolarHBondContact N-O 3.16Å; I34-D101 PolarHBondContact O-N 3.22Å
35	K	98.3	Very high	97.5	Very high	123 Å²	123	71.1 Å²	71.1	54%	0.535	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.2	179.9	-64.7	175.2	-93.9	-177.9	0	109.9	L19 L23 V100	L19-K35 HydrophobicContact CD1-CD 4.06Å; L19-K35 HydrophobicContact CD1-CG 4.12Å; L19-K35 HydrophobicContact CD2-CD 3.83Å; L19-K35 HydrophobicContact CG-CD 4.21Å; L23-K35 HydrophobicContact CD1-CD 3.82Å; L23-K35 HydrophobicContact CD1-CG 4.3Å; L23-K35 HydrophobicContact CD2-CG 4.22Å; K35-V100 HydrophobicContact CG-CG2 4.44Å
36	Y	98.5	Very high	97.6	Very high	94 Å²	94	76.4 Å²	76.4	37%	0.369	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.2	174.1	-67.6	-75.3	0	0	0	111.3	I34 F38 V98 F99 D101	I34-Y36 HydrophobicContact CB-CE2 3.92Å; I34-Y36 HydrophobicContact CG2-CD2 4.23Å; I34-Y36 HydrophobicContact CG2-CE1 4.18Å; I34-Y36 HydrophobicContact CG2-CE2 3.51Å; I34-Y36 VanDerWaalsContact CG2-CZ 3.48Å; Y36-F38 HydrophobicContact CD1-CE1 4.45Å; Y36-F38 AromaticContact CD1-CZ 3.91Å; Y36-F38 HydrophobicContact CD1-CZ 3.91Å; Y36-F38 HydrophobicContact CG-CE2 4.23Å; Y36-F38 AromaticContact CG-CZ 4Å; Y36-F38 HydrophobicContact CG-CZ 4Å; Y36-V98 WeakPolarHBondContact O-CA 3.26Å; Y36-F99 AromaticContact CD2-CE1 3.67Å; Y36-F99 HydrophobicContact CD2-CE1 3.67Å; Y36-F99 AromaticContact CD2-CZ 3.71Å; Y36-F99 HydrophobicContact CD2-CZ 3.71Å; Y36-F99 AromaticContact CG-CE1 3.83Å; Y36-F99 HydrophobicContact CG-CE1 3.83Å; Y36-F99 HydrophobicContact CG-CZ 4.31Å; Y36-F99 PolarHBondContact N-O 2.85Å; Y36-F99 PolarHBondContact O-N 3.44Å; Y36-F99 VanDerWaalsContact O-N 3.15Å; Y36-D101 HydrophobicContact CD2-CB 4.21Å; Y36-D101 HydrophobicContact CE2-CB 3.93Å
37	K	98.7	Very high	97.6	Very high	151 Å²	151	79.6 Å²	79.6	66%	0.657	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	126	168.5	-177.8	176.2	-178.4	-179.1	0	108.6	P96 L97 V98	K37-P96 HydrophobicContact CG-CB 4.3Å; K37-L97 CarbonylContact C-O 3.59Å; K37-L97 WeakPolarHBondContact CA-O 3.5Å; K37-V98 HydrophobicContact CB-CG2 4.41Å; K37-V98 HydrophobicContact CD-CG2 4.25Å; K37-V98 HydrophobicContact CG-CG2 4.02Å
38	F	98.7	Very high	97.7	Very high	48 Å²	48	76.5 Å²	76.5	21%	0.211	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.3	-178.9	-62.8	-57.2	0	0	0	110.9	Y36 T42 F44 V91 P96 L97 F99	Y36-F38 HydrophobicContact CD1-CE1 4.45Å; Y36-F38 AromaticContact CD1-CZ 3.91Å; Y36-F38 HydrophobicContact CD1-CZ 3.91Å; Y36-F38 HydrophobicContact CG-CE2 4.23Å; Y36-F38 AromaticContact CG-CZ 4Å; Y36-F38 HydrophobicContact CG-CZ 4Å; F38-T42 HydrophobicContact CB-CG2 4.3Å; F38-T42 HydrophobicContact CD1-CG2 4.29Å; F38-T42 HydrophobicContact CG-CG2 4.37Å; F38-F44 AromaticContact CD1-CZ 3.94Å; F38-F44 HydrophobicContact CD1-CZ 3.94Å; F38-F44 HydrophobicContact CD2-CE1 4.37Å; F38-F44 AromaticContact CD2-CE2 3.94Å; F38-F44 HydrophobicContact CD2-CE2 3.94Å; F38-F44 AromaticContact CD2-CZ 3.38Å; F38-F44 HydrophobicContact CD2-CZ 3.38Å; F38-F44 HydrophobicContact CE1-CE1 4.13Å; F38-F44 AromaticContact CE1-CZ 3.86Å; F38-F44 HydrophobicContact CE1-CZ 3.86Å; F38-F44 AromaticContact CE2-CE1 3.78Å; F38-F44 HydrophobicContact CE2-CE1 3.78Å; F38-F44 HydrophobicContact CE2-CE2 4.03Å; F38-F44 AromaticContact CE2-CZ 3.19Å; F38-F44 HydrophobicContact CE2-CZ 3.19Å; F38-F44 HydrophobicContact CG-CE2 4.41Å; F38-F44 AromaticContact CG-CZ 3.73Å; F38-F44 HydrophobicContact CG-CZ 3.73Å; F38-F44 AromaticContact CZ-CE1 3.69Å; F38-F44 HydrophobicContact CZ-CE1 3.69Å; F38-F44 AromaticContact CZ-CZ 3.5Å; F38-F44 HydrophobicContact CZ-CZ 3.5Å; F38-V91 HydrophobicContact CB-CG2 3.81Å; F38-P96 CarbonylContact O-C 3.6Å; F38-P96 WeakPolarHBondContact O-CA 3.27Å; F38-P96 WeakPolarHBondContact O-CB 3.31Å; F38-L97 HydrophobicContact CB-CB 4.42Å; F38-L97 HydrophobicContact CD2-CD2 4.29Å; F38-L97 PolarHBondContact N-O 3.24Å; F38-L97 PolarHBondContact O-N 2.97Å; F38-F99 HydrophobicContact CD2-CD1 4.31Å; F38-F99 AromaticContact CD2-CE1 3.91Å; F38-F99 HydrophobicContact CD2-CE1 3.91Å; F38-F99 HydrophobicContact CE2-CD1 4.24Å; F38-F99 AromaticContact CE2-CE1 3.4Å; F38-F99 HydrophobicContact CE2-CE1 3.4Å; F38-F99 VanDerWaalsContact CE2-CE1 3.4Å; F38-F99 HydrophobicContact CE2-CZ 4.22Å; F38-F99 HydrophobicContact CZ-CE1 4.4Å
39	T	98.6	Very high	97.6	Very high	96 Å²	96	74.9 Å²	74.9	59%	0.589	41%	0.412	S	S	*	.			trans	-80.9	156.6	178.6	52.9	0	0	0	0	110.8	G41 T42	T39-G41 PolarHBondContact O-N 3.04Å; T39-T42 PolarHBondContact N-OG1 2.99Å; T39-T42 WeakPolarHBondContact O-CB 3.38Å; T39-T42 PolarHBondContact O-N 2.82Å; T39-T42 VanDerWaalsContact O-N 3.15Å; T39-T42 PolarHBondContact O-OG1 2.74Å; T39-T42 PolarHBondContact OG1-OG1 2.55Å
40	P	98.6	Very high	97.6	Very high	54 Å²	54	76.9 Å²	76.9	35%	0.351	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137.7	170	-28.2	36.2	0	0	0	112.4	T42 K94	P40-T42 VanDerWaalsContact C-N 3.28Å; P40-T42 PolarHBondContact O-N 2.67Å; P40-K94 VanDerWaalsContact CG-O 3.28Å; P40-K94 WeakPolarHBondContact CG-O 3.2Å
41	G	97.9	Very high	97.6	Very high	54 Å²	54	78.2 Å²	78.2	56%	0.557	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-3.6	-179.6	0	0	0	0	0	115.4	T39 N43 V91	T39-G41 PolarHBondContact O-N 3.04Å; G41-N43 PolarHBondContact O-N 2.89Å; G41-V91 WeakPolarHBondContact CA-O 3.35Å; G41-V91 PolarHBondContact N-O 3.36Å
42	T	98.7	Very high	97.6	Very high	37 Å²	37	80.1 Å²	80.1	23%	0.227	43%	0.427	C	S	.	.			trans	-57.1	128.1	169.3	-59.1	0	0	0	0	109.6	F38 T39 P40 F44 R90 V91	F38-T42 HydrophobicContact CB-CG2 4.3Å; F38-T42 HydrophobicContact CD1-CG2 4.29Å; F38-T42 HydrophobicContact CG-CG2 4.37Å; T39-T42 PolarHBondContact N-OG1 2.99Å; T39-T42 WeakPolarHBondContact O-CB 3.38Å; T39-T42 PolarHBondContact O-N 2.82Å; T39-T42 VanDerWaalsContact O-N 3.15Å; T39-T42 PolarHBondContact O-OG1 2.74Å; T39-T42 PolarHBondContact OG1-OG1 2.55Å; P40-T42 VanDerWaalsContact C-N 3.28Å; P40-T42 PolarHBondContact O-N 2.67Å; T42-F44 HydrophobicContact CG2-CE1 4.16Å; T42-F44 HydrophobicContact CG2-CE2 3.75Å; T42-F44 HydrophobicContact CG2-CZ 3.46Å; T42-F44 VanDerWaalsContact CG2-CZ 3.46Å; T42-R90 CarbonylContact O-C 3.51Å; T42-R90 WeakPolarHBondContact O-CA 3.38Å; T42-V91 PolarHBondContact O-N 3.3Å
43	N	98.5	Very high	97.6	Very high	92 Å²	92	78.6 Å²	78.6	49%	0.492	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.6	-177.9	-173.4	83.4	0	0	0	110	G41	G41-N43 PolarHBondContact O-N 2.89Å
44	F	98.6	Very high	97.6	Very high	53 Å²	53	78.3 Å²	78.3	23%	0.232	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	105.2	173.7	-57.1	-81.6	0	0	0	107.3	F38 T42 S88 A89 V91	F38-F44 AromaticContact CD1-CZ 3.94Å; F38-F44 HydrophobicContact CD1-CZ 3.94Å; F38-F44 HydrophobicContact CD2-CE1 4.37Å; F38-F44 AromaticContact CD2-CE2 3.94Å; F38-F44 HydrophobicContact CD2-CE2 3.94Å; F38-F44 AromaticContact CD2-CZ 3.38Å; F38-F44 HydrophobicContact CD2-CZ 3.38Å; F38-F44 HydrophobicContact CE1-CE1 4.13Å; F38-F44 AromaticContact CE1-CZ 3.86Å; F38-F44 HydrophobicContact CE1-CZ 3.86Å; F38-F44 AromaticContact CE2-CE1 3.78Å; F38-F44 HydrophobicContact CE2-CE1 3.78Å; F38-F44 HydrophobicContact CE2-CE2 4.03Å; F38-F44 AromaticContact CE2-CZ 3.19Å; F38-F44 HydrophobicContact CE2-CZ 3.19Å; F38-F44 HydrophobicContact CG-CE2 4.41Å; F38-F44 AromaticContact CG-CZ 3.73Å; F38-F44 HydrophobicContact CG-CZ 3.73Å; F38-F44 AromaticContact CZ-CE1 3.69Å; F38-F44 HydrophobicContact CZ-CE1 3.69Å; F38-F44 AromaticContact CZ-CZ 3.5Å; F38-F44 HydrophobicContact CZ-CZ 3.5Å; T42-F44 HydrophobicContact CG2-CE1 4.16Å; T42-F44 HydrophobicContact CG2-CE2 3.75Å; T42-F44 HydrophobicContact CG2-CZ 3.46Å; T42-F44 VanDerWaalsContact CG2-CZ 3.46Å; F44-S88 WeakPolarHBondContact O-CB 3.47Å; F44-A89 WeakPolarHBondContact CA-O 3.48Å; F44-A89 HydrophobicContact CB-CB 4.29Å; F44-A89 WeakPolarHBondContact CB-O 3.39Å; F44-A89 HydrophobicContact CD2-CB 4.14Å; F44-A89 PolarHBondContact N-O 2.97Å; F44-A89 PolarHBondContact O-N 2.83Å; F44-V91 HydrophobicContact CE2-CG2 4.25Å
45	P	98.4	Very high	97.6	Very high	91 Å²	91	74 Å²	74	59%	0.591	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	166.7	175.7	-23.6	34.6	0	0	0	112.3	H47	P45-H47 PolarHBondContact O-N 2.82Å; P45-H47 PolarHBondContact O-ND1 3.5Å
46	E	98.7	Very high	97.7	Very high	143 Å²	143	68.2 Å²	68.2	67%	0.668	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	131.2	177.4	-171.6	174.9	85	0	0	111.6	P86 H87	E46-P86 HydrophobicContact CG-CB 3.87Å; E46-H87 CarbonylContact C-O 3.41Å; E46-H87 VanDerWaalsContact CA-O 3.26Å; E46-H87 WeakPolarHBondContact CA-O 3.42Å
47	H	98.3	Very high	97.7	Very high	67 Å²	67	63.7 Å²	63.7	31%	0.31	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	177.7	178.2	62.2	-74.1	0	0	0	111	P45 H49 P86 H87	P45-H47 PolarHBondContact O-N 2.82Å; P45-H47 PolarHBondContact O-ND1 3.5Å; H47-H49 AromaticContact CD2-CE1 3.4Å; H47-H49 PolarHBondContact CD2-CE1 2.84Å; H47-H49 AromaticContact CD2-NE2 3.54Å; H47-H49 AromaticContact NE2-CE1 3.45Å; H47-H49 PolarHBondContact NE2-CE1 2.84Å; H47-H49 AromaticContact NE2-NE2 3.24Å; H47-H49 PolarHBondContact NE2-NE2 2.83Å; H47-P86 WeakPolarHBondContact O-CA 3.21Å; H47-H87 AromaticContact CD2-NE2 3.99Å; H47-H87 AromaticContact CE1-CD2 3.99Å; H47-H87 AromaticContact CE1-NE2 3.82Å; H47-H87 PolarHBondContact N-O 3.48Å; H47-H87 PolarHBondContact ND1-O 3.4Å; H47-H87 AromaticContact NE2-NE2 3.47Å; H47-H87 PolarHBondContact NE2-NE2 3.48Å; H47-H87 PolarHBondContact O-N 2.97Å; H47-H87 PolarHBondContact O-ND1 2.85Å
48	T	97.8	Very high	97.7	Very high	75 Å²	75	57.4 Å²	57.4	46%	0.46	32%	0.319	S	S	.	.			trans	-133.2	155.7	176.4	56.9	0	0	0	0	110.3	P86	T48-P86 HydrophobicContact CG2-CB 4.33Å; T48-P86 HydrophobicContact CG2-CG 4.01Å
49	H	93.7	Very high	97.7	Very high	64 Å²	64	57.4 Å²	57.4	30%	0.296	33%	0.325	S	S	.	.			trans	-120.3	151.8	167.3	-55.5	-61.8	0	0	0	109.6	H47 E51 K53 R83 N84 H87	H47-H49 AromaticContact CD2-CE1 3.4Å; H47-H49 PolarHBondContact CD2-CE1 2.84Å; H47-H49 AromaticContact CD2-NE2 3.54Å; H47-H49 AromaticContact NE2-CE1 3.45Å; H47-H49 PolarHBondContact NE2-CE1 2.84Å; H47-H49 AromaticContact NE2-NE2 3.24Å; H47-H49 PolarHBondContact NE2-NE2 2.83Å; H49-E51 VanDerWaalsContact C-N 3.31Å; H49-K53 PolarHBondContact NE2-NZ 3.48Å; H49-K53 VanDerWaalsContact NE2-NZ 3.14Å; H49-R83 CarbonylContact O-C 3.55Å; H49-R83 WeakPolarHBondContact O-CA 3.29Å; H49-N84 PolarHBondContact O-N 3.31Å; H49-H87 AromaticContact CD2-CE1 3.51Å; H49-H87 AromaticContact CD2-NE2 3.6Å; H49-H87 AromaticContact NE2-CE1 3.94Å; H49-H87 AromaticContact NE2-NE2 3.6Å
50	D	95	Very high	97.7	Very high	120 Å²	120	53.3 Å²	53.3	64%	0.642	30%	0.302	S	S	*	.	S	Bend	trans	-84.3	-6.8	177.8	58.4	-14.9	0	0	0	113.6	R83	D50-R83 WeakPolarHBondContact O-CB 3.43Å; D50-R83 PolarHBondContact O-NH1 2.83Å
51	E	94.5	Very high	97.7	Very high	80 Å²	80	55 Å²	55	37%	0.374	31%	0.305	S	S	.	.	S	Bend	trans	-112.6	151.9	176	-61.3	-172.3	168.4	0	0	112.1	H49	H49-E51 VanDerWaalsContact C-N 3.31Å
52	D	95.8	Very high	97.8	Very high	58 Å²	58	52.6 Å²	52.6	31%	0.31	28%	0.28	S	S	.	.			trans	-78.3	136.4	169.7	-50.2	-50.5	0	0	0	108.5	R83	D52-R83 WeakPolarHBondContact OD1-CB 3.49Å; D52-R83 WeakPolarHBondContact OD1-CG 3.43Å; D52-R83 PolarHBondContact OD1-N 2.97Å; D52-R83 IonicContact OD1-NE 3.16Å; D52-R83 PolarHBondContact OD1-NE 2.75Å; D52-R83 VanDerWaalsContact OD1-NE 3.16Å; D52-R83 IonicContact OD2-CZ 3.44Å; D52-R83 IonicContact OD2-NE 3.22Å; D52-R83 PolarHBondContact OD2-NE 2.87Å; D52-R83 IonicContact OD2-NH2 2.79Å; D52-R83 PolarHBondContact OD2-NH2 2.91Å
53	K	96.5	Very high	97.8	Very high	19 Å²	19	51.1 Å²	51.1	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	165.7	-180	72.8	175.8	-168.4	170.1	0	113.2	H49 D55 V81 D101 A102 T103	H49-K53 PolarHBondContact NE2-NZ 3.48Å; H49-K53 VanDerWaalsContact NE2-NZ 3.14Å; K53-D55 WeakPolarHBondContact CE-OD1 3.32Å; K53-D55 WeakPolarHBondContact CE-OD2 3.32Å; K53-D55 IonicContact NZ-OD1 3.32Å; K53-D55 PolarHBondContact NZ-OD1 3.2Å; K53-D55 IonicContact NZ-OD2 2.83Å; K53-D55 PolarHBondContact NZ-OD2 3.37Å; K53-V81 HydrophobicContact CD-CB 4.46Å; K53-V81 HydrophobicContact CG-CB 3.67Å; K53-V81 HydrophobicContact CG-CG1 4.25Å; K53-V81 HydrophobicContact CG-CG2 4.3Å; K53-V81 PolarHBondContact N-O 2.85Å; K53-V81 PolarHBondContact O-N 2.87Å; K53-D101 IonicContact NZ-OD2 2.97Å; K53-D101 PolarHBondContact NZ-OD2 2.95Å; K53-A102 CarbonylContact C-O 3.57Å; K53-A102 VanDerWaalsContact CA-O 3.28Å; K53-A102 WeakPolarHBondContact CA-O 3.43Å; K53-T103 HydrophobicContact CB-CG2 3.91Å
54	L	98.2	Very high	97.8	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.9	168.7	-75.6	168.6	0	0	0	109	L26 L79 E80 A102	L26-L54 HydrophobicContact CD2-CD1 4.23Å; L54-L79 VanDerWaalsContact CA-O 3.29Å; L54-L79 WeakPolarHBondContact CA-O 3.34Å; L54-E80 HydrophobicContact CD2-CB 4.37Å; L54-E80 HydrophobicContact CD2-CG 3.61Å; L54-A102 HydrophobicContact CB-CB 4.16Å; L54-A102 PolarHBondContact N-O 3.45Å; L54-A102 PolarHBondContact O-N 3.01Å
55	D	98.6	Very high	97.8	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.032	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109	170.4	-75.7	-13	0	0	0	108.8	K53 F64 R78 L79 F99	K53-D55 WeakPolarHBondContact CE-OD1 3.32Å; K53-D55 WeakPolarHBondContact CE-OD2 3.32Å; K53-D55 IonicContact NZ-OD1 3.32Å; K53-D55 PolarHBondContact NZ-OD1 3.2Å; K53-D55 IonicContact NZ-OD2 2.83Å; K53-D55 PolarHBondContact NZ-OD2 3.37Å; D55-F64 WeakPolarHBondContact OD2-CE2 3.44Å; D55-R78 WeakPolarHBondContact O-CA 3.13Å; D55-L79 PolarHBondContact N-O 3.03Å; D55-L79 PolarHBondContact O-N 3.26Å; D55-F99 HydrophobicContact CB-CD2 4.22Å; D55-F99 HydrophobicContact CB-CE2 4.23Å
56	C	98.8	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.4	-168.3	-56.7	0	0	0	0	112.1	M22 L26 D77 R78 F99 V100	M22-C56 HydrophobicContact CE-CB 4.16Å; M22-C56 HydrophobicContact CG-CB 4.27Å; M22-C56 HydrophobicContact SD-CB 3.73Å; L26-C56 HydrophobicContact CD1-CB 4.23Å; C56-D77 CarbonylContact C-O 3.6Å; C56-D77 WeakPolarHBondContact CA-O 3.21Å; C56-R78 HydrophobicContact CB-CB 4.42Å; C56-R78 HydrophobicContact CB-CG 3.87Å; C56-F99 CarbonylContact O-C 3.57Å; C56-F99 WeakPolarHBondContact O-CA 3.38Å; C56-F99 VanDerWaalsContact O-CB 3.25Å; C56-F99 WeakPolarHBondContact O-CB 3.47Å; C56-V100 HydrophobicContact CB-CB 4.27Å; C56-V100 WeakPolarHBondContact CB-O 3.22Å; C56-V100 PolarHBondContact N-O 2.9Å; C56-V100 PolarHBondContact O-N 2.79Å
57	I	98.9	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.9	-173.8	-48.5	-47.8	0	0	0	110.7	L62 L73 G74 G76 D77 L97 F99	I57-L62 HydrophobicContact CD1-CB 4.24Å; I57-L62 HydrophobicContact CD1-CD2 4.17Å; I57-L73 HydrophobicContact CD1-CB 4.42Å; I57-L73 HydrophobicContact CG1-CB 3.75Å; I57-L73 HydrophobicContact CG1-CD1 4.46Å; I57-G74 VanDerWaalsContact CB-O 3.25Å; I57-G74 WeakPolarHBondContact CB-O 3.33Å; I57-G76 PolarHBondContact O-N 2.65Å; I57-D77 PolarHBondContact N-O 3.32Å; I57-L97 HydrophobicContact CD1-CD1 4.14Å; I57-L97 HydrophobicContact CG2-CD1 4.04Å; I57-F99 HydrophobicContact CD1-CB 3.78Å; I57-F99 HydrophobicContact CD1-CG 4.44Å
58	V	98.9	Very high	97.5	Very high	18 Å²	18	39.1 Å²	39.1	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-40.7	174	179.6	0	0	0	0	110.7	L19 M22 V98 V100	L19-V58 HydrophobicContact CB-CG1 4.13Å; L19-V58 HydrophobicContact CD1-CG2 3.99Å; M22-V58 HydrophobicContact CB-CG2 4.11Å; M22-V58 HydrophobicContact CE-CG2 4.41Å; M22-V58 HydrophobicContact CG-CG2 4.06Å; V58-V98 WeakPolarHBondContact CA-O 3.41Å; V58-V98 HydrophobicContact CB-CB 4.33Å; V58-V98 HydrophobicContact CB-CG1 4.13Å; V58-V98 WeakPolarHBondContact CB-O 3.28Å; V58-V98 PolarHBondContact N-O 3.4Å; V58-V100 HydrophobicContact CG2-CG2 4.46Å
59	S	98.8	Very high	97.5	Very high	48 Å²	48	39 Å²	39	34%	0.336	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162	173.9	69.1	0	0	0	0	111.8	L97 V98	S59-L97 WeakPolarHBondContact O-CA 3.49Å; S59-V98 PolarHBondContact N-O 3.05Å; S59-V98 VanDerWaalsContact N-O 3.1Å; S59-V98 PolarHBondContact O-N 3.45Å; S59-V98 WeakPolarHBondContact OG-CB 3.41Å; S59-V98 WeakPolarHBondContact OG-CG2 3.49Å
60	G	98.7	Very high	97.7	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	23%	0.234	C	C	.	.	S	Bend	trans	80.4	-168	-173.8	0	0	0	0	0	112.3	P75	G60-P75 WeakPolarHBondContact O-CD 3.38Å
61	Q	98.8	Very high	97.9	Very high	89 Å²	89	38.3 Å²	38.3	42%	0.416	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144	-179.7	-65.6	-179.5	-75.7	0	0	111	I72 L73 V92	Q61-I72 HydrophobicContact CB-CG2 4.17Å; Q61-L73 CarbonylContact C-O 3.58Å; Q61-L73 VanDerWaalsContact CA-O 3.24Å; Q61-L73 WeakPolarHBondContact CA-O 3.21Å; Q61-V92 HydrophobicContact CB-CG2 3.77Å; Q61-V92 PolarHBondContact O-N 3.47Å
62	L	98.8	Very high	98.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118	-178.7	-171.9	64.6	0	0	0	109.4	I57 F64 I72 L73 A89 V91 L97	I57-L62 HydrophobicContact CD1-CB 4.24Å; I57-L62 HydrophobicContact CD1-CD2 4.17Å; L62-F64 HydrophobicContact CD2-CD2 4.1Å; L62-F64 PolarHBondContact O-N 2.92Å; L62-I72 WeakPolarHBondContact O-CA 3.49Å; L62-L73 HydrophobicContact CB-CB 4.41Å; L62-L73 HydrophobicContact CD2-CD1 4.48Å; L62-L73 PolarHBondContact N-O 2.98Å; L62-L73 PolarHBondContact O-N 3.01Å; L62-A89 HydrophobicContact CD1-CB 3.77Å; L62-A89 HydrophobicContact CD2-CB 4.2Å; L62-A89 HydrophobicContact CG-CB 4.04Å; L62-V91 HydrophobicContact CD1-CG2 4.37Å; L62-L97 HydrophobicContact CB-CD1 4.02Å; L62-L97 HydrophobicContact CB-CD2 4.39Å; L62-L97 HydrophobicContact CD1-CD2 3.99Å; L62-L97 HydrophobicContact CD2-CD2 4.35Å; L62-L97 HydrophobicContact CG-CD2 4.49Å
63	S	98.9	Very high	98.3	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.2	160.1	-125.1	0	0	0	0	107.1	E70 I71 I72 A89 R90	S63-E70 WeakPolarHBondContact CB-OE1 3.15Å; S63-E70 PolarHBondContact OG-OE1 2.97Å; S63-I71 CarbonylContact C-O 3.6Å; S63-I71 WeakPolarHBondContact CA-O 3.36Å; S63-I72 WeakPolarHBondContact OG-CD1 3.3Å; S63-A89 CarbonylContact O-C 3.59Å; S63-A89 WeakPolarHBondContact O-CA 3.09Å; S63-A89 WeakPolarHBondContact O-CB 3.44Å; S63-R90 PolarHBondContact N-O 2.98Å; S63-R90 PolarHBondContact O-N 3.11Å
64	F	98.8	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.2	178.6	-164.4	-77	0	0	0	109.6	F4 D55 L62 M66 E70 I71 L73 L79 V81 H87 A89	F4-F64 HydrophobicContact CE1-CD1 4.12Å; D55-F64 WeakPolarHBondContact OD2-CE2 3.44Å; L62-F64 HydrophobicContact CD2-CD2 4.1Å; L62-F64 PolarHBondContact O-N 2.92Å; F64-M66 HydrophobicContact CD1-CG 4.47Å; F64-M66 HydrophobicContact CE1-CB 4.21Å; F64-M66 HydrophobicContact CE1-CG 4.13Å; F64-M66 HydrophobicContact CE1-SD 4.41Å; F64-E70 CarbonylContact O-C 3.58Å; F64-E70 WeakPolarHBondContact O-CA 3.25Å; F64-I71 HydrophobicContact CB-CG2 4.25Å; F64-I71 PolarHBondContact N-O 3Å; F64-I71 PolarHBondContact O-N 3.3Å; F64-L73 HydrophobicContact CB-CD1 4.26Å; F64-L79 HydrophobicContact CB-CD2 4.24Å; F64-L79 HydrophobicContact CD1-CD2 3.42Å; F64-L79 VanDerWaalsContact CD1-CD2 3.42Å; F64-L79 HydrophobicContact CD2-CD2 3.99Å; F64-L79 HydrophobicContact CE1-CD2 3.61Å; F64-L79 HydrophobicContact CE2-CD2 4.17Å; F64-L79 HydrophobicContact CG-CD2 3.61Å; F64-L79 HydrophobicContact CZ-CD2 3.98Å; F64-V81 HydrophobicContact CE1-CG2 4.23Å; F64-V81 HydrophobicContact CE2-CG2 4.06Å; F64-V81 HydrophobicContact CZ-CB 4.43Å; F64-V81 HydrophobicContact CZ-CG1 4Å; F64-V81 HydrophobicContact CZ-CG2 3.52Å; F64-H87 HydrophobicContact CE1-CB 3.6Å; F64-H87 AromaticContact CE2-CD2 3.82Å; F64-H87 HydrophobicContact CZ-CB 3.61Å; F64-H87 AromaticContact CZ-CD2 3.34Å; F64-H87 WeakPolarHBondContact CZ-CD2 3.49Å; F64-H87 AromaticContact CZ-CG 3.62Å; F64-A89 HydrophobicContact CD2-CB 3.87Å; F64-A89 HydrophobicContact CE2-CB 4.43Å
65	S	98.8	Very high	98.4	Very high	31 Å²	31	37.3 Å²	37.3	22%	0.217	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.4	-177.4	-62.7	0	0	0	0	111.1	K69 H87 S88	S65-K69 WeakPolarHBondContact CA-O 3.45Å; S65-H87 WeakPolarHBondContact O-CA 3.42Å; S65-H87 VanDerWaalsContact O-CB 3.31Å; S65-H87 WeakPolarHBondContact O-CB 3.47Å; S65-S88 PolarHBondContact N-O 3Å; S65-S88 PolarHBondContact O-N 2.75Å
66	M	98.1	Very high	98.4	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.8	167.9	64.3	166.7	-177.5	0	0	109.8	F4 F64 G68 K69 L79 I85 H87	F4-M66 HydrophobicContact CB-CE 4.2Å; F4-M66 HydrophobicContact CD1-CE 3.33Å; F4-M66 HydrophobicContact CD1-CG 3.9Å; F4-M66 HydrophobicContact CD1-SD 4.4Å; F4-M66 HydrophobicContact CE1-CE 3.89Å; F4-M66 HydrophobicContact CE1-CG 3.39Å; F4-M66 HydrophobicContact CE1-SD 4.43Å; F4-M66 HydrophobicContact CG-CE 3.92Å; F4-M66 HydrophobicContact CZ-CG 3.99Å; F64-M66 HydrophobicContact CD1-CG 4.47Å; F64-M66 HydrophobicContact CE1-CB 4.21Å; F64-M66 HydrophobicContact CE1-CG 4.13Å; F64-M66 HydrophobicContact CE1-SD 4.41Å; M66-G68 PolarHBondContact O-N 3.06Å; M66-G68 VanDerWaalsContact O-N 3.12Å; M66-K69 PolarHBondContact N-O 3.01Å; M66-K69 VanDerWaalsContact N-O 3.11Å; M66-K69 PolarHBondContact O-N 2.86Å; M66-K69 VanDerWaalsContact O-O 3.1Å; M66-L79 HydrophobicContact CE-CD1 4.18Å; M66-I85 HydrophobicContact CB-CG2 4.16Å; M66-I85 HydrophobicContact SD-CG2 4.34Å; M66-H87 HydrophobicContact CB-CB 4.1Å
67	Y	95.9	Very high	98.4	Very high	67 Å²	67	38.2 Å²	38.2	26%	0.263	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.3	-178.6	-51.3	-51	0	0	0	114.7	Y2 K69 I85	Y2-Y67 VanDerWaalsContact CB-CZ 3.49Å; Y2-Y67 HydrophobicContact CD2-CE1 4.39Å; Y2-Y67 HydrophobicContact CG-CE1 4.07Å; Y67-K69 PolarHBondContact O-N 3.48Å; Y67-I85 HydrophobicContact CD1-CG2 4.14Å; Y67-I85 HydrophobicContact CE1-CB 4.49Å; Y67-I85 HydrophobicContact CE1-CD1 3.92Å; Y67-I85 HydrophobicContact CE1-CG1 4.1Å; Y67-I85 HydrophobicContact CE1-CG2 3.57Å
68	G	95.9	Very high	98.4	Very high	90 Å²	90	39.3 Å²	39.3	93%	0.928	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	14.4	-176.6	0	0	0	0	0	114.3	M66	M66-G68 PolarHBondContact O-N 3.06Å; M66-G68 VanDerWaalsContact O-N 3.12Å
69	K	97.7	Very high	98.4	Very high	72 Å²	72	38.4 Å²	38.4	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	162.1	177	-58.4	-177.5	-170.3	178.3	0	110	D3 F4 S65 M66 Y67	D3-K69 IonicContact OD1-NZ 3.23Å; D3-K69 PolarHBondContact OD1-NZ 2.95Å; D3-K69 IonicContact OD2-NZ 3.43Å; D3-K69 PolarHBondContact OD2-NZ 2.93Å; F4-K69 HydrophobicContact CE2-CB 3.55Å; F4-K69 HydrophobicContact CE2-CD 4.3Å; F4-K69 HydrophobicContact CZ-CB 4.04Å; S65-K69 WeakPolarHBondContact CA-O 3.45Å; M66-K69 PolarHBondContact N-O 3.01Å; M66-K69 VanDerWaalsContact N-O 3.11Å; M66-K69 PolarHBondContact O-N 2.86Å; M66-K69 VanDerWaalsContact O-O 3.1Å; Y67-K69 PolarHBondContact O-N 3.48Å
70	E	98.4	Very high	98.3	Very high	116 Å²	116	39.6 Å²	39.6	54%	0.542	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.8	176	-176.8	171.5	-149.5	0	0	109.9	S63 F64	S63-E70 WeakPolarHBondContact CB-OE1 3.15Å; S63-E70 PolarHBondContact OG-OE1 2.97Å; F64-E70 CarbonylContact O-C 3.58Å; F64-E70 WeakPolarHBondContact O-CA 3.25Å
71	I	98.6	Very high	98.3	Very high	53 Å²	53	39.2 Å²	39.2	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.2	174.1	-168.8	165.7	0	0	0	110.2	F4 V6 S63 F64 L73	F4-I71 HydrophobicContact CD1-CB 4.48Å; F4-I71 HydrophobicContact CD1-CG2 3.64Å; F4-I71 HydrophobicContact CD2-CB 4.34Å; F4-I71 HydrophobicContact CD2-CG2 4.34Å; F4-I71 HydrophobicContact CE1-CB 4.33Å; F4-I71 HydrophobicContact CE1-CG2 3.51Å; F4-I71 HydrophobicContact CE2-CB 4.15Å; F4-I71 HydrophobicContact CE2-CG2 4.2Å; F4-I71 HydrophobicContact CG-CD1 4.5Å; F4-I71 HydrophobicContact CG-CG2 4.08Å; F4-I71 HydrophobicContact CZ-CB 4.17Å; F4-I71 HydrophobicContact CZ-CG2 3.82Å; V6-I71 HydrophobicContact CG2-CD1 4.03Å; S63-I71 CarbonylContact C-O 3.6Å; S63-I71 WeakPolarHBondContact CA-O 3.36Å; F64-I71 HydrophobicContact CB-CG2 4.25Å; F64-I71 PolarHBondContact N-O 3Å; F64-I71 PolarHBondContact O-N 3.3Å; I71-L73 HydrophobicContact CG2-CD2 4.15Å; I71-L73 HydrophobicContact CG2-CG 4.42Å
72	I	98.7	Very high	98.2	Very high	78 Å²	78	37 Å²	37	40%	0.4	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.4	168.6	-54.2	-53.1	0	0	0	108.7	Q61 L62 S63 V92	Q61-I72 HydrophobicContact CB-CG2 4.17Å; L62-I72 WeakPolarHBondContact O-CA 3.49Å; S63-I72 WeakPolarHBondContact OG-CD1 3.3Å; I72-V92 HydrophobicContact CD1-CG2 4.3Å; I72-V92 HydrophobicContact CG2-CG2 4.39Å
73	L	98.8	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.6	171	-54.5	174.2	0	0	0	109.9	V6 I57 Q61 L62 F64 I71 D77 L79	V6-L73 HydrophobicContact CG1-CD2 4.27Å; V6-L73 HydrophobicContact CG2-CD2 4.08Å; I57-L73 HydrophobicContact CD1-CB 4.42Å; I57-L73 HydrophobicContact CG1-CB 3.75Å; I57-L73 HydrophobicContact CG1-CD1 4.46Å; Q61-L73 CarbonylContact C-O 3.58Å; Q61-L73 VanDerWaalsContact CA-O 3.24Å; Q61-L73 WeakPolarHBondContact CA-O 3.21Å; L62-L73 HydrophobicContact CB-CB 4.41Å; L62-L73 HydrophobicContact CD2-CD1 4.48Å; L62-L73 PolarHBondContact N-O 2.98Å; L62-L73 PolarHBondContact O-N 3.01Å; F64-L73 HydrophobicContact CB-CD1 4.26Å; I71-L73 HydrophobicContact CG2-CD2 4.15Å; I71-L73 HydrophobicContact CG2-CG 4.42Å; L73-D77 WeakPolarHBondContact CA-OD2 3.31Å; L73-D77 HydrophobicContact CB-CB 4.2Å; L73-D77 HydrophobicContact CD2-CB 4.13Å; L73-L79 HydrophobicContact CD1-CB 3.69Å; L73-L79 HydrophobicContact CD1-CD2 3.85Å; L73-L79 HydrophobicContact CD1-CG 4.38Å; L73-L79 HydrophobicContact CD2-CB 4.16Å
74	G	98.7	Very high	97.9	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	26%	0.255	C	S	.	.			trans	-126.3	-178.8	176.6	0	0	0	0	0	112.9	I57 G76 D77	I57-G74 VanDerWaalsContact CB-O 3.25Å; I57-G74 WeakPolarHBondContact CB-O 3.33Å; G74-G76 PolarHBondContact O-N 3.4Å; G74-D77 PolarHBondContact N-OD2 3.43Å; G74-D77 WeakPolarHBondContact O-CB 3.38Å; G74-D77 PolarHBondContact O-N 3.02Å
75	P	98.8	Very high	97.8	Very high	76 Å²	76	47.8 Å²	47.8	49%	0.494	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	124.6	-177.6	-24.8	34.8	0	0	0	112.3	L17 G60	L17-P75 HydrophobicContact CD2-CB 3.5Å; G60-P75 WeakPolarHBondContact O-CD 3.38Å
76	G	98.8	Very high	97.8	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	-12.6	178.9	0	0	0	0	0	114.1	W9 I57 G74	W9-G76 VanDerWaalsContact CB-CA 3.47Å; W9-G76 WeakPolarHBondContact CB-O 3.37Å; W9-G76 PolarHBondContact N-O 3.24Å; I57-G76 PolarHBondContact O-N 2.65Å; G74-G76 PolarHBondContact O-N 3.4Å
77	D	98.9	Very high	97.8	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.8	175	-64.2	-19.9	0	0	0	110.8	V6 H7 H8 C56 I57 L73 G74	V6-D77 HydrophobicContact CG1-CB 3.85Å; H7-D77 CarbonylContact O-C 3.53Å; H8-D77 IonicContact CE1-OD1 3.27Å; H8-D77 PolarHBondContact CE1-OD1 3.49Å; H8-D77 VanDerWaalsContact CE1-OD1 3.27Å; H8-D77 IonicContact CG-OD1 3.9Å; H8-D77 IonicContact ND1-OD1 2.97Å; H8-D77 PolarHBondContact ND1-OD1 3.14Å; C56-D77 CarbonylContact C-O 3.6Å; C56-D77 WeakPolarHBondContact CA-O 3.21Å; I57-D77 PolarHBondContact N-O 3.32Å; L73-D77 WeakPolarHBondContact CA-OD2 3.31Å; L73-D77 HydrophobicContact CB-CB 4.2Å; L73-D77 HydrophobicContact CD2-CB 4.13Å; G74-D77 PolarHBondContact N-OD2 3.43Å; G74-D77 WeakPolarHBondContact O-CB 3.38Å; G74-D77 PolarHBondContact O-N 3.02Å
78	R	98.6	Very high	97.9	Very high	23 Å²	23	47.4 Å²	47.4	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.2	172.1	-53	-175.6	-65.6	161.6	3	108.1	H7 M22 E29 D55 C56	H7-R78 HydrophobicContact CB-CB 4.34Å; H7-R78 PolarHBondContact N-O 3.23Å; H7-R78 PolarHBondContact O-N 2.93Å; M22-R78 HydrophobicContact CE-CG 4.32Å; M22-R78 HydrophobicContact SD-CG 4.2Å; E29-R78 IonicContact OE1-CZ 3.73Å; E29-R78 IonicContact OE1-NH1 2.93Å; E29-R78 PolarHBondContact OE1-NH1 2.95Å; E29-R78 IonicContact OE1-NH2 2.74Å; E29-R78 IonicContact OE2-NH1 3.82Å; E29-R78 PolarHBondContact OE2-NH1 2.94Å; D55-R78 WeakPolarHBondContact O-CA 3.13Å; C56-R78 HydrophobicContact CB-CB 4.42Å; C56-R78 HydrophobicContact CB-CG 3.87Å
79	L	98.7	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.4	-177.7	174.4	65.2	0	0	0	110.2	F4 V6 L54 D55 F64 M66 L73 V81	F4-L79 HydrophobicContact CB-CD1 4.02Å; F4-L79 HydrophobicContact CD1-CD1 3.78Å; F4-L79 HydrophobicContact CD1-CD2 4.23Å; F4-L79 HydrophobicContact CG-CD1 4.4Å; V6-L79 HydrophobicContact CG2-CD1 3.85Å; L54-L79 VanDerWaalsContact CA-O 3.29Å; L54-L79 WeakPolarHBondContact CA-O 3.34Å; D55-L79 PolarHBondContact N-O 3.03Å; D55-L79 PolarHBondContact O-N 3.26Å; F64-L79 HydrophobicContact CB-CD2 4.24Å; F64-L79 HydrophobicContact CD1-CD2 3.42Å; F64-L79 VanDerWaalsContact CD1-CD2 3.42Å; F64-L79 HydrophobicContact CD2-CD2 3.99Å; F64-L79 HydrophobicContact CE1-CD2 3.61Å; F64-L79 HydrophobicContact CE2-CD2 4.17Å; F64-L79 HydrophobicContact CG-CD2 3.61Å; F64-L79 HydrophobicContact CZ-CD2 3.98Å; M66-L79 HydrophobicContact CE-CD1 4.18Å; L73-L79 HydrophobicContact CD1-CB 3.69Å; L73-L79 HydrophobicContact CD1-CD2 3.85Å; L73-L79 HydrophobicContact CD1-CG 4.38Å; L73-L79 HydrophobicContact CD2-CB 4.16Å; L79-V81 HydrophobicContact CD2-CG2 4.05Å; L79-V81 HydrophobicContact CG-CG2 4.06Å; L79-V81 PolarHBondContact O-N 2.79Å
80	E	97.7	Very high	98.1	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.341	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.3	165.5	-67.2	-176	-154.8	0	0	110.5	I5 H7 L54	I5-E80 HydrophobicContact CB-CB 4.2Å; I5-E80 HydrophobicContact CB-CG 4.32Å; I5-E80 HydrophobicContact CG2-CG 4.26Å; I5-E80 WeakPolarHBondContact CG2-OE1 3.28Å; I5-E80 PolarHBondContact O-N 3.26Å; H7-E80 IonicContact CD2-OE1 3.69Å; H7-E80 IonicContact CE1-OE1 2.75Å; H7-E80 IonicContact NE2-OE1 3.73Å; H7-E80 PolarHBondContact NE2-OE1 2.82Å; L54-E80 HydrophobicContact CD2-CB 4.37Å; L54-E80 HydrophobicContact CD2-CG 3.61Å
81	V	97.7	Very high	98.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	101.1	175.6	-175.5	0	0	0	0	107.8	K53 F64 L79	K53-V81 HydrophobicContact CD-CB 4.46Å; K53-V81 HydrophobicContact CG-CB 3.67Å; K53-V81 HydrophobicContact CG-CG1 4.25Å; K53-V81 HydrophobicContact CG-CG2 4.3Å; K53-V81 PolarHBondContact N-O 2.85Å; K53-V81 PolarHBondContact O-N 2.87Å; F64-V81 HydrophobicContact CE1-CG2 4.23Å; F64-V81 HydrophobicContact CE2-CG2 4.06Å; F64-V81 HydrophobicContact CZ-CB 4.43Å; F64-V81 HydrophobicContact CZ-CG1 4Å; F64-V81 HydrophobicContact CZ-CG2 3.52Å; L79-V81 HydrophobicContact CD2-CG2 4.05Å; L79-V81 HydrophobicContact CG-CG2 4.06Å; L79-V81 PolarHBondContact O-N 2.79Å
82	P	96.1	Very high	98.2	Very high	43 Å²	43	39.2 Å²	39.2	28%	0.279	21%	0.207	S	C	.	.			trans	-68.9	148.7	-178.5	-20.2	33.9	0	0	0	111.9	I85	P82-I85 HydrophobicContact CB-CG1 3.86Å; P82-I85 HydrophobicContact CG-CG1 4.37Å; P82-I85 PolarHBondContact O-N 2.97Å
83	R	95.7	Very high	98	Very high	96 Å²	96	37.7 Å²	37.7	36%	0.362	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	149.1	174.4	70.8	-175.8	71.7	-153.1	3.2	111.7	H49 D50 D52 I85	H49-R83 CarbonylContact O-C 3.55Å; H49-R83 WeakPolarHBondContact O-CA 3.29Å; D50-R83 WeakPolarHBondContact O-CB 3.43Å; D50-R83 PolarHBondContact O-NH1 2.83Å; D52-R83 WeakPolarHBondContact OD1-CB 3.49Å; D52-R83 WeakPolarHBondContact OD1-CG 3.43Å; D52-R83 PolarHBondContact OD1-N 2.97Å; D52-R83 IonicContact OD1-NE 3.16Å; D52-R83 PolarHBondContact OD1-NE 2.75Å; D52-R83 VanDerWaalsContact OD1-NE 3.16Å; D52-R83 IonicContact OD2-CZ 3.44Å; D52-R83 IonicContact OD2-NE 3.22Å; D52-R83 PolarHBondContact OD2-NE 2.87Å; D52-R83 IonicContact OD2-NH2 2.79Å; D52-R83 PolarHBondContact OD2-NH2 2.91Å; R83-I85 PolarHBondContact O-N 3.12Å
84	N	96.4	Very high	97.9	Very high	99 Å²	99	46.9 Å²	46.9	53%	0.529	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	12.9	175.1	-55.2	-45.6	0	0	0	114.8	H49 P86	H49-N84 PolarHBondContact O-N 3.31Å; N84-P86 WeakPolarHBondContact O-CD 3.48Å
85	I	97.2	Very high	97.9	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.205	27%	0.273	C	S	.	.			trans	-91.2	119.9	172.2	-60	-53.3	0	0	0	108.9	M66 Y67 P82 R83 H87	M66-I85 HydrophobicContact CB-CG2 4.16Å; M66-I85 HydrophobicContact SD-CG2 4.34Å; Y67-I85 HydrophobicContact CD1-CG2 4.14Å; Y67-I85 HydrophobicContact CE1-CB 4.49Å; Y67-I85 HydrophobicContact CE1-CD1 3.92Å; Y67-I85 HydrophobicContact CE1-CG1 4.1Å; Y67-I85 HydrophobicContact CE1-CG2 3.57Å; P82-I85 HydrophobicContact CB-CG1 3.86Å; P82-I85 HydrophobicContact CG-CG1 4.37Å; P82-I85 PolarHBondContact O-N 2.97Å; R83-I85 PolarHBondContact O-N 3.12Å; I85-H87 PolarHBondContact O-N 2.87Å; I85-H87 PolarHBondContact O-ND1 2.93Å
86	P	98.3	Very high	97.9	Very high	62 Å²	62	50.4 Å²	50.4	40%	0.403	27%	0.265	S	S	.	.			trans	-59	127.7	172.9	-24.2	34.7	0	0	0	110.4	E46 H47 T48 N84	E46-P86 HydrophobicContact CG-CB 3.87Å; H47-P86 WeakPolarHBondContact O-CA 3.21Å; T48-P86 HydrophobicContact CG2-CB 4.33Å; T48-P86 HydrophobicContact CG2-CG 4.01Å; N84-P86 WeakPolarHBondContact O-CD 3.48Å
87	H	98.6	Very high	97.9	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.2	176.9	59	-80.5	0	0	0	111.2	E46 H47 H49 F64 S65 M66 I85	E46-H87 CarbonylContact C-O 3.41Å; E46-H87 VanDerWaalsContact CA-O 3.26Å; E46-H87 WeakPolarHBondContact CA-O 3.42Å; H47-H87 AromaticContact CD2-NE2 3.99Å; H47-H87 AromaticContact CE1-CD2 3.99Å; H47-H87 AromaticContact CE1-NE2 3.82Å; H47-H87 PolarHBondContact N-O 3.48Å; H47-H87 PolarHBondContact ND1-O 3.4Å; H47-H87 AromaticContact NE2-NE2 3.47Å; H47-H87 PolarHBondContact NE2-NE2 3.48Å; H47-H87 PolarHBondContact O-N 2.97Å; H47-H87 PolarHBondContact O-ND1 2.85Å; H49-H87 AromaticContact CD2-CE1 3.51Å; H49-H87 AromaticContact CD2-NE2 3.6Å; H49-H87 AromaticContact NE2-CE1 3.94Å; H49-H87 AromaticContact NE2-NE2 3.6Å; F64-H87 HydrophobicContact CE1-CB 3.6Å; F64-H87 AromaticContact CE2-CD2 3.82Å; F64-H87 HydrophobicContact CZ-CB 3.61Å; F64-H87 AromaticContact CZ-CD2 3.34Å; F64-H87 WeakPolarHBondContact CZ-CD2 3.49Å; F64-H87 AromaticContact CZ-CG 3.62Å; S65-H87 WeakPolarHBondContact O-CA 3.42Å; S65-H87 VanDerWaalsContact O-CB 3.31Å; S65-H87 WeakPolarHBondContact O-CB 3.47Å; M66-H87 HydrophobicContact CB-CB 4.1Å; I85-H87 PolarHBondContact O-N 2.87Å; I85-H87 PolarHBondContact O-ND1 2.93Å
88	S	98.7	Very high	97.9	Very high	32 Å²	32	50.6 Å²	50.6	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	160.9	173.5	57.9	0	0	0	0	109.5	F44 S65	F44-S88 WeakPolarHBondContact O-CB 3.47Å; S65-S88 PolarHBondContact N-O 3Å; S65-S88 PolarHBondContact O-N 2.75Å
89	A	98.8	Very high	97.9	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.4	178.9	0	0	0	0	0	112.5	F44 L62 S63 F64	F44-A89 WeakPolarHBondContact CA-O 3.48Å; F44-A89 HydrophobicContact CB-CB 4.29Å; F44-A89 WeakPolarHBondContact CB-O 3.39Å; F44-A89 HydrophobicContact CD2-CB 4.14Å; F44-A89 PolarHBondContact N-O 2.97Å; F44-A89 PolarHBondContact O-N 2.83Å; L62-A89 HydrophobicContact CD1-CB 3.77Å; L62-A89 HydrophobicContact CD2-CB 4.2Å; L62-A89 HydrophobicContact CG-CB 4.04Å; S63-A89 CarbonylContact O-C 3.59Å; S63-A89 WeakPolarHBondContact O-CA 3.09Å; S63-A89 WeakPolarHBondContact O-CB 3.44Å; F64-A89 HydrophobicContact CD2-CB 3.87Å; F64-A89 HydrophobicContact CE2-CB 4.43Å
90	R	98.8	Very high	97.9	Very high	116 Å²	116	50.2 Å²	50.2	44%	0.438	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.7	175.3	-176.3	175.8	62.3	-149.5	-6.7	110.5	T42 S63 V92	T42-R90 CarbonylContact O-C 3.51Å; T42-R90 WeakPolarHBondContact O-CA 3.38Å; S63-R90 PolarHBondContact N-O 2.98Å; S63-R90 PolarHBondContact O-N 3.11Å; R90-V92 HydrophobicContact CG-CG1 4.45Å; R90-V92 PolarHBondContact O-N 2.78Å
91	V	98.8	Very high	97.9	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.9	171.6	-176.6	0	0	0	0	108.5	F38 G41 T42 F44 L62 L97	F38-V91 HydrophobicContact CB-CG2 3.81Å; G41-V91 WeakPolarHBondContact CA-O 3.35Å; G41-V91 PolarHBondContact N-O 3.36Å; T42-V91 PolarHBondContact O-N 3.3Å; F44-V91 HydrophobicContact CE2-CG2 4.25Å; L62-V91 HydrophobicContact CD1-CG2 4.37Å; V91-L97 HydrophobicContact CG1-CB 3.85Å; V91-L97 HydrophobicContact CG2-CB 3.88Å; V91-L97 HydrophobicContact CG2-CD2 4.16Å
92	V	98.5	Very high	98	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	167.3	-179.8	-65.4	0	0	0	0	110.9	Q61 I72 R90	Q61-V92 HydrophobicContact CB-CG2 3.77Å; Q61-V92 PolarHBondContact O-N 3.47Å; I72-V92 HydrophobicContact CD1-CG2 4.3Å; I72-V92 HydrophobicContact CG2-CG2 4.39Å; R90-V92 HydrophobicContact CG-CG1 4.45Å; R90-V92 PolarHBondContact O-N 2.78Å
93	G	96.2	Very high	98	Very high	45 Å²	45	47.1 Å²	47.1	46%	0.464	25%	0.25	S	C	.	.	S	Bend	trans	79.5	-167.7	-173.4	0	0	0	0	0	112.5
94	K	97.1	Very high	97.5	Very high	194 Å²	194	49.6 Å²	49.6	84%	0.843	26%	0.259	S	S	*	.	S	Bend	trans	-103.2	-10.7	-173.1	-62.1	-178.2	-178.8	179.1	0	113.9	P40	P40-K94 VanDerWaalsContact CG-O 3.28Å; P40-K94 WeakPolarHBondContact CG-O 3.2Å
95	N	98.1	Very high	96.2	Very high	113 Å²	113	54.2 Å²	54.2	60%	0.604	27%	0.269	S	S	*	.	S	Bend	trans	-102.9	144.8	-173.2	-64.5	-35.9	0	0	0	110.2	L97	N95-L97 PolarHBondContact O-N 2.81Å
96	P	98.7	Very high	94.3	Very high	49 Å²	49	64.5 Å²	64.5	32%	0.318	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-54.1	140.1	171.2	-24.9	34.2	0	0	0	111.5	K37 F38	K37-P96 HydrophobicContact CG-CB 4.3Å; F38-P96 CarbonylContact O-C 3.6Å; F38-P96 WeakPolarHBondContact O-CA 3.27Å; F38-P96 WeakPolarHBondContact O-CB 3.31Å
97	L	98.9	Very high	94.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.5	168.2	-169.8	80.1	0	0	0	108.5	K37 F38 I57 S59 L62 V91 N95 F99	K37-L97 CarbonylContact C-O 3.59Å; K37-L97 WeakPolarHBondContact CA-O 3.5Å; F38-L97 HydrophobicContact CB-CB 4.42Å; F38-L97 HydrophobicContact CD2-CD2 4.29Å; F38-L97 PolarHBondContact N-O 3.24Å; F38-L97 PolarHBondContact O-N 2.97Å; I57-L97 HydrophobicContact CD1-CD1 4.14Å; I57-L97 HydrophobicContact CG2-CD1 4.04Å; S59-L97 WeakPolarHBondContact O-CA 3.49Å; L62-L97 HydrophobicContact CB-CD1 4.02Å; L62-L97 HydrophobicContact CB-CD2 4.39Å; L62-L97 HydrophobicContact CD1-CD2 3.99Å; L62-L97 HydrophobicContact CD2-CD2 4.35Å; L62-L97 HydrophobicContact CG-CD2 4.49Å; V91-L97 HydrophobicContact CG1-CB 3.85Å; V91-L97 HydrophobicContact CG2-CB 3.88Å; V91-L97 HydrophobicContact CG2-CD2 4.16Å; N95-L97 PolarHBondContact O-N 2.81Å; L97-F99 HydrophobicContact CD2-CB 4.24Å; L97-F99 HydrophobicContact CD2-CD1 3.8Å; L97-F99 HydrophobicContact CD2-CE1 4.5Å; L97-F99 HydrophobicContact CD2-CG 4.15Å; L97-F99 HydrophobicContact CG-CB 4.37Å
98	V	98.9	Very high	93.9	Very high	27 Å²	27	67.9 Å²	67.9	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.4	161.8	-179	0	0	0	0	106.7	Y36 K37 V58 S59	Y36-V98 WeakPolarHBondContact O-CA 3.26Å; K37-V98 HydrophobicContact CB-CG2 4.41Å; K37-V98 HydrophobicContact CD-CG2 4.25Å; K37-V98 HydrophobicContact CG-CG2 4.02Å; V58-V98 WeakPolarHBondContact CA-O 3.41Å; V58-V98 HydrophobicContact CB-CB 4.33Å; V58-V98 HydrophobicContact CB-CG1 4.13Å; V58-V98 WeakPolarHBondContact CB-O 3.28Å; V58-V98 PolarHBondContact N-O 3.4Å; S59-V98 PolarHBondContact N-O 3.05Å; S59-V98 VanDerWaalsContact N-O 3.1Å; S59-V98 PolarHBondContact O-N 3.45Å; S59-V98 WeakPolarHBondContact OG-CB 3.41Å; S59-V98 WeakPolarHBondContact OG-CG2 3.49Å
99	F	98.1	Very high	93.6	Very high	15 Å²	15	69.9 Å²	69.9	7%	0.066	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.9	179	91.8	-67.8	0	0	0	111.1	Y36 F38 D55 C56 I57 L97 D101	Y36-F99 AromaticContact CD2-CE1 3.67Å; Y36-F99 HydrophobicContact CD2-CE1 3.67Å; Y36-F99 AromaticContact CD2-CZ 3.71Å; Y36-F99 HydrophobicContact CD2-CZ 3.71Å; Y36-F99 AromaticContact CG-CE1 3.83Å; Y36-F99 HydrophobicContact CG-CE1 3.83Å; Y36-F99 HydrophobicContact CG-CZ 4.31Å; Y36-F99 PolarHBondContact N-O 2.85Å; Y36-F99 PolarHBondContact O-N 3.44Å; Y36-F99 VanDerWaalsContact O-N 3.15Å; F38-F99 HydrophobicContact CD2-CD1 4.31Å; F38-F99 AromaticContact CD2-CE1 3.91Å; F38-F99 HydrophobicContact CD2-CE1 3.91Å; F38-F99 HydrophobicContact CE2-CD1 4.24Å; F38-F99 AromaticContact CE2-CE1 3.4Å; F38-F99 HydrophobicContact CE2-CE1 3.4Å; F38-F99 VanDerWaalsContact CE2-CE1 3.4Å; F38-F99 HydrophobicContact CE2-CZ 4.22Å; F38-F99 HydrophobicContact CZ-CE1 4.4Å; D55-F99 HydrophobicContact CB-CD2 4.22Å; D55-F99 HydrophobicContact CB-CE2 4.23Å; C56-F99 CarbonylContact O-C 3.57Å; C56-F99 WeakPolarHBondContact O-CA 3.38Å; C56-F99 VanDerWaalsContact O-CB 3.25Å; C56-F99 WeakPolarHBondContact O-CB 3.47Å; I57-F99 HydrophobicContact CD1-CB 3.78Å; I57-F99 HydrophobicContact CD1-CG 4.44Å; L97-F99 HydrophobicContact CD2-CB 4.24Å; L97-F99 HydrophobicContact CD2-CD1 3.8Å; L97-F99 HydrophobicContact CD2-CE1 4.5Å; L97-F99 HydrophobicContact CD2-CG 4.15Å; L97-F99 HydrophobicContact CG-CB 4.37Å; F99-D101 HydrophobicContact CE2-CB 4Å; F99-D101 HydrophobicContact CZ-CB 4.27Å
100	V	98.7	Very high	93.3	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.8	173.3	-175.9	0	0	0	0	107.8	L19 M22 L23 L26 C33 I34 K35 C56 V58	L19-V100 HydrophobicContact CD1-CG2 3.73Å; M22-V100 HydrophobicContact CG-CG2 4.1Å; L23-V100 HydrophobicContact CD2-CG1 4Å; L23-V100 HydrophobicContact CD2-CG2 4.08Å; L23-V100 HydrophobicContact CG-CG2 4.47Å; L26-V100 HydrophobicContact CD1-CB 3.97Å; L26-V100 HydrophobicContact CD1-CG1 3.68Å; C33-V100 HydrophobicContact CB-CG1 3.7Å; I34-V100 CarbonylContact O-C 3.55Å; I34-V100 WeakPolarHBondContact O-CA 3.36Å; K35-V100 HydrophobicContact CG-CG2 4.44Å; C56-V100 HydrophobicContact CB-CB 4.27Å; C56-V100 WeakPolarHBondContact CB-O 3.22Å; C56-V100 PolarHBondContact N-O 2.9Å; C56-V100 PolarHBondContact O-N 2.79Å; V58-V100 HydrophobicContact CG2-CG2 4.46Å
101	D	98.3	Very high	93	Very high	25 Å²	25	70.7 Å²	70.7	13%	0.134	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.5	164	-172.2	-44.8	0	0	0	107	C33 I34 Y36 K53 F99	C33-D101 WeakPolarHBondContact CA-O 3.4Å; I34-D101 PolarHBondContact N-O 3.16Å; I34-D101 PolarHBondContact O-N 3.22Å; Y36-D101 HydrophobicContact CD2-CB 4.21Å; Y36-D101 HydrophobicContact CE2-CB 3.93Å; K53-D101 IonicContact NZ-OD2 2.97Å; K53-D101 PolarHBondContact NZ-OD2 2.95Å; F99-D101 HydrophobicContact CE2-CB 4Å; F99-D101 HydrophobicContact CZ-CB 4.27Å
102	A	98.3	Very high	92.6	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.3	-177.8	0	0	0	0	0	111.2	L26 C31 S32 K53 L54	L26-A102 HydrophobicContact CD1-CB 4.04Å; L26-A102 HydrophobicContact CD2-CB 3.92Å; L26-A102 HydrophobicContact CG-CB 4.42Å; C31-A102 HydrophobicContact CB-CB 3.98Å; S32-A102 CarbonylContact O-C 3.58Å; S32-A102 VanDerWaalsContact O-CA 3.27Å; S32-A102 WeakPolarHBondContact O-CA 3.45Å; K53-A102 CarbonylContact C-O 3.57Å; K53-A102 VanDerWaalsContact CA-O 3.28Å; K53-A102 WeakPolarHBondContact CA-O 3.43Å; L54-A102 HydrophobicContact CB-CB 4.16Å; L54-A102 PolarHBondContact N-O 3.45Å; L54-A102 PolarHBondContact O-N 3.01Å
103	T	96.9	Very high	92.1	Very high	29 Å²	29	78.5 Å²	78.5	18%	0.178	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.1	173.5	65.6	0	0	0	0	110.6	C31 S32 K53	C31-T103 CarbonylContact C-O 3.56Å; C31-T103 WeakPolarHBondContact CA-O 3.4Å; S32-T103 PolarHBondContact N-O 3.13Å; S32-T103 PolarHBondContact O-N 2.75Å; K53-T103 HydrophobicContact CB-CG2 3.91Å
104	R	85	Confident	91.8	Very high	147 Å²	147	81.1 Å²	81.1	56%	0.555	35%	0.353	S	S	*	.			trans	-108.3	117	169.6	-172.2	176.8	62.7	-168.7	-5.9	108.6	R106	R104-R106 PolarHBondContact O-N 3.26Å; R104-R106 VanDerWaalsContact O-N 3.13Å
105	R	68.4	Low	91.4	Very high	197 Å²	197	71.7 Å²	71.7	74%	0.743	31%	0.312	S	S	*	.			trans	-66.2	112.7	165.8	-62	-170.1	-176.4	-175.1	0.3	106.9
106	R	58.4	Low	90.8	Very high	256 Å²	256	67.9 Å²	67.9	97%	0.966	29%	0.285	S	S	*	.			trans	-71.9	0	166.3	-87.1	-165	-175.2	-157.2	2.7	109.9	R104	R104-R106 PolarHBondContact O-N 3.26Å; R104-R106 VanDerWaalsContact O-N 3.13Å

Retrieved 106 of 106 residues in 193.5 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).