G4LVP4_SCHMA Loading...

Cleavage and polyadenylation specificity factor 100 kDa subunit

AlphaFold DB , UniProt , Accession G4LVP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 aa.

						>G4LVP4_SCHMA|G4LVP4
MLEELLNNSAKKLWVVKAMELGKYGDLSINVGHLCGKRVALVSYRYSEDAQEALRYSPTIYIFDRPTNVTSLIDISNEGDTRKVIASEKRQEGMEAEDNNDRRHYMHNITGKVESISPDFLPKPAP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.9	Very low	37.2	Very low	200 Å²	200	140.3 Å²	140.3	99%	0.985	75%	0.749	S	S	*	*				0	-29.7	0	-141.3	177.4	86.6	0	0	113.8
2	L	34.5	Very low	37.6	Very low	152 Å²	152	140.8 Å²	140.8	80%	0.796	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-34.2	172.3	-89.8	155	0	0	0	113.6	E4	L2-E4 PolarHBondContact O-N 3.24Å
3	E	34	Very low	37.5	Very low	167 Å²	167	141.1 Å²	141.1	78%	0.78	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-32.8	-176.7	-68.8	-169.7	146.8	0	0	114	L5 L6	E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.18Å; E3-L6 WeakPolarHBondContact O-CB 3.37Å; E3-L6 PolarHBondContact O-N 3.01Å
4	E	31	Very low	37.8	Very low	162 Å²	162	136.5 Å²	136.5	76%	0.757	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-77.1	-18.4	-174.3	-150.7	170.5	-174.8	0	0	112.9	L2 L6	L2-E4 PolarHBondContact O-N 3.24Å; E4-L6 VanDerWaalsContact C-N 3.31Å
5	L	32.1	Very low	38.4	Very low	101 Å²	101	135.1 Å²	135.1	53%	0.529	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-78.7	-12.3	174.7	-80.6	165.6	0	0	0	113.6	E3	E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.18Å
6	L	34.1	Very low	39.2	Very low	129 Å²	129	128.4 Å²	128.4	68%	0.675	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-79.6	-21.7	179.8	-73.7	161.7	0	0	0	113.3	E3 E4	E3-L6 WeakPolarHBondContact O-CB 3.37Å; E3-L6 PolarHBondContact O-N 3.01Å; E4-L6 VanDerWaalsContact C-N 3.31Å
7	N	34.1	Very low	40.1	Very low	157 Å²	157	127.6 Å²	127.6	84%	0.84	66%	0.664	S	S	*	*	S	Bend	trans	-93	-4.7	-168.7	-108	8	0	0	0	115.6
8	N	39.3	Very low	41.2	Very low	119 Å²	119	121.7 Å²	121.7	64%	0.636	64%	0.637	S	S	*	*	S	Bend	trans	-104.2	102.1	179.8	-107.9	-39.5	0	0	0	111.2
9	S	40.7	Very low	42.1	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	27.3	111.6	161.5	59.7	0	0	0	0	118.1	K11	S9-K11 VanDerWaalsContact C-N 3.27Å; S9-K11 PolarHBondContact O-N 3.38Å
10	A	48.8	Very low	43.5	Very low	105 Å²	105	122.8 Å²	122.8	87%	0.868	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.1	14.5	159.9	0	0	0	0	0	118.4	K12	A10-K12 PolarHBondContact O-N 3.02Å
11	K	38	Very low	44.9	Very low	145 Å²	145	117 Å²	117	63%	0.63	61%	0.607	S	S	*	*			trans	-74.8	75	162.9	-64.6	-176.7	-175	176.7	0	109.8	S9 L13	S9-K11 VanDerWaalsContact C-N 3.27Å; S9-K11 PolarHBondContact O-N 3.38Å; K11-L13 PolarHBondContact O-N 3.19Å; K11-L13 VanDerWaalsContact O-N 3.12Å
12	K	41.6	Very low	46.5	Very low	146 Å²	146	109.7 Å²	109.7	64%	0.635	58%	0.584	S	S	*	*			trans	-57.4	118.4	163.9	-77.4	179.8	179.3	-176.9	0	107.1	A10 W14	A10-K12 PolarHBondContact O-N 3.02Å; K12-W14 HydrophobicContact CB-CH2 3.52Å; K12-W14 HydrophobicContact CB-CZ2 3.3Å; K12-W14 HydrophobicContact CB-CZ3 4.2Å; K12-W14 HydrophobicContact CD-CH2 3.51Å; K12-W14 HydrophobicContact CD-CZ2 4.02Å; K12-W14 HydrophobicContact CD-CZ3 4.33Å; K12-W14 HydrophobicContact CG-CH2 4.14Å; K12-W14 HydrophobicContact CG-CZ2 4.25Å; K12-W14 VanDerWaalsContact O-CD1 3.25Å; K12-W14 VanDerWaalsContact O-CE2 3.24Å; K12-W14 PolarHBondContact O-N 2.87Å; K12-W14 PolarHBondContact O-NE1 3.14Å
13	L	36.9	Very low	48.8	Very low	145 Å²	145	109 Å²	109	76%	0.759	57%	0.574	S	S	*	*			trans	-70.1	122.5	172.5	-177.6	68.2	0	0	0	107.9	K11	K11-L13 PolarHBondContact O-N 3.19Å; K11-L13 VanDerWaalsContact O-N 3.12Å
14	W	41.5	Very low	51.1	Low	77 Å²	77	101.9 Å²	101.9	29%	0.292	54%	0.54	S	S	.	.			trans	-95.9	106.5	178.9	-50.5	98.3	0	0	0	108.4	K12 V16 F63	K12-W14 HydrophobicContact CB-CH2 3.52Å; K12-W14 HydrophobicContact CB-CZ2 3.3Å; K12-W14 HydrophobicContact CB-CZ3 4.2Å; K12-W14 HydrophobicContact CD-CH2 3.51Å; K12-W14 HydrophobicContact CD-CZ2 4.02Å; K12-W14 HydrophobicContact CD-CZ3 4.33Å; K12-W14 HydrophobicContact CG-CH2 4.14Å; K12-W14 HydrophobicContact CG-CZ2 4.25Å; K12-W14 VanDerWaalsContact O-CD1 3.25Å; K12-W14 VanDerWaalsContact O-CE2 3.24Å; K12-W14 PolarHBondContact O-N 2.87Å; K12-W14 PolarHBondContact O-NE1 3.14Å; W14-V16 PolarHBondContact O-N 2.89Å; W14-F63 AromaticContact CE3-CD1 3.86Å; W14-F63 HydrophobicContact CE3-CD1 3.86Å; W14-F63 HydrophobicContact CE3-CD2 4.39Å; W14-F63 AromaticContact CE3-CE1 3.91Å; W14-F63 HydrophobicContact CE3-CE1 3.91Å; W14-F63 HydrophobicContact CE3-CE2 4.41Å; W14-F63 HydrophobicContact CE3-CG 4.11Å; W14-F63 HydrophobicContact CE3-CZ 4.17Å; W14-F63 AromaticContact CH2-CD1 3.58Å; W14-F63 HydrophobicContact CH2-CD1 3.58Å; W14-F63 AromaticContact CH2-CE1 2.93Å; W14-F63 HydrophobicContact CH2-CE1 2.93Å; W14-F63 HydrophobicContact CH2-CE2 4.38Å; W14-F63 AromaticContact CH2-CZ 3.4Å; W14-F63 HydrophobicContact CH2-CZ 3.4Å; W14-F63 VanDerWaalsContact CH2-CZ 3.4Å; W14-F63 HydrophobicContact CZ2-CE1 4.01Å; W14-F63 HydrophobicContact CZ2-CZ 4.09Å; W14-F63 AromaticContact CZ3-CD1 3Å; W14-F63 HydrophobicContact CZ3-CD1 3Å; W14-F63 HydrophobicContact CZ3-CD2 4.22Å; W14-F63 AromaticContact CZ3-CE1 2.9Å; W14-F63 HydrophobicContact CZ3-CE1 2.9Å; W14-F63 HydrophobicContact CZ3-CE2 4.13Å; W14-F63 AromaticContact CZ3-CG 3.7Å; W14-F63 HydrophobicContact CZ3-CG 3.7Å; W14-F63 AromaticContact CZ3-CZ 3.51Å; W14-F63 HydrophobicContact CZ3-CZ 3.51Å
15	V	46.4	Very low	53.6	Low	115 Å²	115	95.2 Å²	95.2	70%	0.697	52%	0.515	S	S	*	.			trans	-82.8	95.7	173.4	-176.2	0	0	0	0	107.7	K17	V15-K17 PolarHBondContact O-N 2.93Å
16	V	52.1	Low	56.2	Low	28 Å²	28	95 Å²	95	17%	0.17	52%	0.515	C	S	.	.			trans	-75.5	103.1	165.7	-176.5	0	0	0	0	106.6	W14 A18 I29 V31 I60	W14-V16 PolarHBondContact O-N 2.89Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 HydrophobicContact CG1-CB 4.42Å; V16-A18 PolarHBondContact O-N 3.22Å; V16-I29 HydrophobicContact CB-CG2 4.41Å; V16-I29 HydrophobicContact CG1-CD1 4.07Å; V16-I29 HydrophobicContact CG1-CG2 4.25Å; V16-I29 HydrophobicContact CG2-CG2 4.31Å; V16-V31 HydrophobicContact CG2-CG2 3.56Å; V16-I60 HydrophobicContact CG1-CB 4.19Å; V16-I60 HydrophobicContact CG1-CG2 4.27Å
17	K	53.4	Low	58.6	Low	115 Å²	115	91.5 Å²	91.5	50%	0.5	50%	0.496	S	S	.	.			trans	-72.5	92.7	174.6	-168.2	177.4	-178.1	-178.6	0	108.5	V15 M19 Y61	V15-K17 PolarHBondContact O-N 2.93Å; K17-M19 WeakPolarHBondContact CE-SD 3.41Å; K17-M19 HydrophobicContact CG-CG 4.26Å; K17-M19 HydrophobicContact CG-SD 4.49Å; K17-Y61 HydrophobicContact CB-CD2 4.28Å
18	A	60.3	Low	60.9	Low	22 Å²	22	86.8 Å²	86.8	18%	0.182	48%	0.475	C	S	.	.			trans	-104.3	28.5	-179	0	0	0	0	0	112.9	V16 E20 L21 I29	V16-A18 VanDerWaalsContact C-N 3.33Å; V16-A18 HydrophobicContact CG1-CB 4.42Å; V16-A18 PolarHBondContact O-N 3.22Å; A18-E20 PolarHBondContact O-N 3.34Å; A18-E20 VanDerWaalsContact O-N 3.14Å; A18-L21 HydrophobicContact CB-CB 4.23Å; A18-L21 HydrophobicContact CB-CD1 3.64Å; A18-L21 HydrophobicContact CB-CG 4.18Å; A18-L21 WeakPolarHBondContact O-CB 3.37Å; A18-L21 PolarHBondContact O-N 2.9Å; A18-I29 HydrophobicContact CB-CD1 3.23Å
19	M	58.9	Low	63	Low	150 Å²	150	83.4 Å²	83.4	74%	0.739	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.7	-175.5	-79.6	-177.9	-176.4	0	0	112.8	K17 L21	K17-M19 WeakPolarHBondContact CE-SD 3.41Å; K17-M19 HydrophobicContact CG-CG 4.26Å; K17-M19 HydrophobicContact CG-SD 4.49Å; M19-L21 VanDerWaalsContact C-N 3.33Å
20	E	70	Confident	64.9	Low	114 Å²	114	83 Å²	83	53%	0.533	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15	-178.9	-62.2	-172.8	170.3	0	0	113.7	A18 K23 Y24	A18-E20 PolarHBondContact O-N 3.34Å; A18-E20 VanDerWaalsContact O-N 3.14Å; E20-K23 WeakPolarHBondContact O-CD 3.16Å; E20-K23 VanDerWaalsContact O-CE 3.32Å; E20-K23 WeakPolarHBondContact O-CE 3.2Å; E20-K23 VanDerWaalsContact O-CG 3.28Å; E20-K23 WeakPolarHBondContact O-CG 3.48Å; E20-Y24 VanDerWaalsContact O-CE2 3.29Å; E20-Y24 WeakPolarHBondContact O-CE2 3.48Å
21	L	72.4	Confident	66.3	Low	2 Å²	2	80.7 Å²	80.7	1%	0.01	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-34	-176.2	-64.6	177.1	0	0	0	112	A18 M19 K23 Y24 L27 I29 V42 Y44 P58 I60	A18-L21 HydrophobicContact CB-CB 4.23Å; A18-L21 HydrophobicContact CB-CD1 3.64Å; A18-L21 HydrophobicContact CB-CG 4.18Å; A18-L21 WeakPolarHBondContact O-CB 3.37Å; A18-L21 PolarHBondContact O-N 2.9Å; M19-L21 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.02Å; L21-Y24 WeakPolarHBondContact O-CD2 3.47Å; L21-Y24 PolarHBondContact O-N 2.91Å; L21-L27 HydrophobicContact CB-CD2 3.37Å; L21-L27 WeakPolarHBondContact O-CD2 3.46Å; L21-I29 HydrophobicContact CD1-CD1 4.2Å; L21-V42 HydrophobicContact CD1-CG1 3.97Å; L21-V42 HydrophobicContact CD1-CG2 4.06Å; L21-Y44 WeakPolarHBondContact CB-OH 3.46Å; L21-Y44 WeakPolarHBondContact CD2-OH 3.36Å; L21-Y44 PolarHBondContact O-OH 3.36Å; L21-P58 HydrophobicContact CD2-CB 3.31Å; L21-P58 HydrophobicContact CD2-CG 3.15Å; L21-P58 HydrophobicContact CG-CB 4.36Å; L21-I60 HydrophobicContact CD1-CG2 3.61Å
22	G	76.5	Confident	68.2	Low	47 Å²	47	75 Å²	75	49%	0.485	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13	-177.6	0	0	0	0	0	114.5	Y24	G22-Y24 VanDerWaalsContact C-N 3.26Å; G22-Y24 PolarHBondContact O-N 3.04Å
23	K	83.2	Confident	69.9	Low	137 Å²	137	73.8 Å²	73.8	60%	0.596	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.3	175.6	78.9	-168	177.6	177.1	0	113	E20 L21	E20-K23 WeakPolarHBondContact O-CD 3.16Å; E20-K23 VanDerWaalsContact O-CE 3.32Å; E20-K23 WeakPolarHBondContact O-CE 3.2Å; E20-K23 VanDerWaalsContact O-CG 3.28Å; E20-K23 WeakPolarHBondContact O-CG 3.48Å; L21-K23 PolarHBondContact O-N 3.02Å
24	Y	82.5	Confident	71.5	Confident	17 Å²	17	72.2 Å²	72.2	7%	0.067	39%	0.392	C	S	.	.	S	Bend	trans	-86.6	-23	-179.8	-55.1	-67.3	0	0	0	112.3	E20 L21 G22 D49 E52 A53 Y56	E20-Y24 VanDerWaalsContact O-CE2 3.29Å; E20-Y24 WeakPolarHBondContact O-CE2 3.48Å; L21-Y24 WeakPolarHBondContact O-CD2 3.47Å; L21-Y24 PolarHBondContact O-N 2.91Å; G22-Y24 VanDerWaalsContact C-N 3.26Å; G22-Y24 PolarHBondContact O-N 3.04Å; Y24-D49 VanDerWaalsContact O-CB 3.27Å; Y24-D49 WeakPolarHBondContact O-CB 3.1Å; Y24-E52 HydrophobicContact CD1-CB 4.33Å; Y24-E52 HydrophobicContact CD1-CG 3.82Å; Y24-E52 HydrophobicContact CE1-CG 4.11Å; Y24-A53 HydrophobicContact CD1-CB 4.46Å; Y24-A53 HydrophobicContact CD2-CB 3.47Å; Y24-A53 VanDerWaalsContact CD2-CB 3.47Å; Y24-A53 HydrophobicContact CE2-CB 3.88Å; Y24-A53 HydrophobicContact CG-CB 3.79Å; Y24-Y56 AromaticContact CE1-CD2 3.48Å; Y24-Y56 HydrophobicContact CE1-CD2 3.48Å; Y24-Y56 VanDerWaalsContact CE1-CD2 3.48Å; Y24-Y56 AromaticContact CE1-CE2 3.99Å; Y24-Y56 HydrophobicContact CE1-CE2 3.99Å; Y24-Y56 HydrophobicContact CE1-CG 4.31Å; Y24-Y56 AromaticContact CZ-CD2 3.8Å; Y24-Y56 WeakPolarHBondContact OH-CB 3.36Å; Y24-Y56 WeakPolarHBondContact OH-CD2 3.35Å
25	G	83.4	Confident	73.3	Confident	23 Å²	23	74 Å²	74	24%	0.237	42%	0.416	C	S	.	.	S	Bend	trans	154.6	-175.1	178.9	0	0	0	0	0	113.9	L27	G25-L27 PolarHBondContact O-N 3.03Å
26	D	86	Confident	74.8	Confident	97 Å²	97	72.2 Å²	72.2	52%	0.519	42%	0.42	S	S	.	.			trans	-62.3	125.5	174.1	-73.5	-20.1	0	0	0	109.7	R45	D26-R45 HydrophobicContact CB-CB 3.89Å; D26-R45 PolarHBondContact O-N 2.79Å; D26-R45 IonicContact OD2-NH1 2.93Å; D26-R45 PolarHBondContact OD2-NH1 2.85Å; D26-R45 VanDerWaalsContact OD2-NH1 3.1Å
27	L	84.5	Confident	75.8	Confident	54 Å²	54	77 Å²	77	28%	0.283	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.3	-178.3	70.7	87.1	0	0	0	113.1	L21 G25 I29 S43 Y44	L21-L27 HydrophobicContact CB-CD2 3.37Å; L21-L27 WeakPolarHBondContact O-CD2 3.46Å; G25-L27 PolarHBondContact O-N 3.03Å; L27-I29 HydrophobicContact CD1-CD1 3.84Å; L27-I29 HydrophobicContact CD1-CG1 3.54Å; L27-S43 CarbonylContact C-O 3.54Å; L27-S43 VanDerWaalsContact CA-O 3.27Å; L27-S43 WeakPolarHBondContact CA-O 3.37Å; L27-Y44 HydrophobicContact CB-CD1 3.91Å; L27-Y44 HydrophobicContact CB-CE1 3.92Å; L27-Y44 HydrophobicContact CB-CG 4.43Å; L27-Y44 HydrophobicContact CD2-CE1 3.8Å
28	S	83.2	Confident	76.6	Confident	58 Å²	58	75.1 Å²	75.1	41%	0.406	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.8	169.5	62.4	0	0	0	0	110.1	S43	S28-S43 PolarHBondContact N-O 3.25Å; S28-S43 PolarHBondContact O-N 3.03Å
29	I	82.8	Confident	77.2	Confident	48 Å²	48	76.7 Å²	76.7	25%	0.246	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.2	178.7	-55.9	-178.8	0	0	0	108.4	V16 A18 L21 L27 V31 A40 L41 V42	V16-I29 HydrophobicContact CB-CG2 4.41Å; V16-I29 HydrophobicContact CG1-CD1 4.07Å; V16-I29 HydrophobicContact CG1-CG2 4.25Å; V16-I29 HydrophobicContact CG2-CG2 4.31Å; A18-I29 HydrophobicContact CB-CD1 3.23Å; L21-I29 HydrophobicContact CD1-CD1 4.2Å; L27-I29 HydrophobicContact CD1-CD1 3.84Å; L27-I29 HydrophobicContact CD1-CG1 3.54Å; I29-V31 HydrophobicContact CG2-CG2 4.31Å; I29-A40 HydrophobicContact CG2-CB 4.18Å; I29-L41 CarbonylContact C-O 3.46Å; I29-L41 WeakPolarHBondContact CA-O 3.27Å; I29-V42 HydrophobicContact CG1-CG2 4.34Å
30	N	79.8	Confident	78.2	Confident	97 Å²	97	70.7 Å²	70.7	52%	0.519	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.7	174.1	-67.4	-61.2	0	0	0	109.1	A40 L41	N30-A40 CarbonylContact O-C 3.53Å; N30-A40 WeakPolarHBondContact O-CA 3.41Å; N30-L41 HydrophobicContact CB-CB 4.35Å; N30-L41 PolarHBondContact N-O 3.38Å; N30-L41 PolarHBondContact O-N 3.29Å
31	V	78.3	Confident	78.7	Confident	57 Å²	57	69.2 Å²	69.2	35%	0.345	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	176.7	-176.9	0	0	0	0	109.2	V16 I29 V39 A40	V16-V31 HydrophobicContact CG2-CG2 3.56Å; I29-V31 HydrophobicContact CG2-CG2 4.31Å; V31-V39 WeakPolarHBondContact CA-O 3.42Å; V31-A40 HydrophobicContact CG2-CB 4.34Å
32	G	78.8	Confident	79.2	Confident	27 Å²	27	70.4 Å²	70.4	28%	0.278	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-166.5	-177.7	0	0	0	0	0	112.9	R38 V39	G32-R38 WeakPolarHBondContact O-CA 3.31Å; G32-V39 PolarHBondContact N-O 3.45Å; G32-V39 PolarHBondContact O-N 2.84Å
33	H	76.6	Confident	79.4	Confident	119 Å²	119	70.3 Å²	70.3	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.2	174.1	-60.9	76	0	0	0	109.2	K37 R38	H33-K37 CarbonylContact C-O 3.6Å; H33-K37 WeakPolarHBondContact CA-O 3.3Å; H33-R38 PolarHBondContact CE1-NE 2.89Å; H33-R38 WeakPolarHBondContact NE2-CD 3.36Å; H33-R38 VanDerWaalsContact NE2-CZ 3.29Å; H33-R38 PolarHBondContact NE2-NE 3.23Å
34	L	71.8	Confident	79.5	Confident	112 Å²	112	65.6 Å²	65.6	59%	0.586	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.9	172.1	-176.4	67.9	0	0	0	108.4	G36 K37 V39	L34-G36 VanDerWaalsContact C-N 3.25Å; L34-G36 PolarHBondContact O-N 2.79Å; L34-K37 PolarHBondContact N-O 3.21Å; L34-K37 WeakPolarHBondContact O-CA 3.49Å; L34-K37 WeakPolarHBondContact O-CB 3.36Å; L34-K37 PolarHBondContact O-N 2.98Å; L34-V39 HydrophobicContact CB-CG1 3.84Å; L34-V39 HydrophobicContact CB-CG2 4.1Å
35	C	77.6	Confident	79.7	Confident	116 Å²	116	72.4 Å²	72.4	78%	0.784	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.1	179.2	-58.9	0	0	0	0	113.7	K37	C35-K37 PolarHBondContact O-N 3.48Å; C35-K37 VanDerWaalsContact O-N 3.14Å
36	G	79.3	Confident	79.7	Confident	77 Å²	77	77 Å²	77	79%	0.794	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-5.6	-177.5	0	0	0	0	0	115.1	L34	L34-G36 VanDerWaalsContact C-N 3.25Å; L34-G36 PolarHBondContact O-N 2.79Å
37	K	73.6	Confident	79.6	Confident	129 Å²	129	75.7 Å²	75.7	56%	0.561	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	146	173.4	-62.1	-174.9	179.3	-177.9	0	110	H33 L34 C35	H33-K37 CarbonylContact C-O 3.6Å; H33-K37 WeakPolarHBondContact CA-O 3.3Å; L34-K37 PolarHBondContact N-O 3.21Å; L34-K37 WeakPolarHBondContact O-CA 3.49Å; L34-K37 WeakPolarHBondContact O-CB 3.36Å; L34-K37 PolarHBondContact O-N 2.98Å; C35-K37 PolarHBondContact O-N 3.48Å; C35-K37 VanDerWaalsContact O-N 3.14Å
38	R	69.9	Low	79.6	Confident	74 Å²	74	78.8 Å²	78.8	28%	0.279	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.9	170.9	-70.2	-128.5	-162.5	-172.8	2.4	110.9	G32 H33 I62 F63	G32-R38 WeakPolarHBondContact O-CA 3.31Å; H33-R38 PolarHBondContact CE1-NE 2.89Å; H33-R38 WeakPolarHBondContact NE2-CD 3.36Å; H33-R38 VanDerWaalsContact NE2-CZ 3.29Å; H33-R38 PolarHBondContact NE2-NE 3.23Å; R38-I62 HydrophobicContact CB-CG2 3.99Å; R38-F63 HydrophobicContact CB-CE2 3.99Å; R38-F63 HydrophobicContact CG-CE2 3.52Å; R38-F63 HydrophobicContact CG-CZ 4.17Å
39	V	73.3	Confident	79.7	Confident	56 Å²	56	77.4 Å²	77.4	34%	0.339	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.2	-179	-63.4	0	0	0	0	109	V31 G32 L34	V31-V39 WeakPolarHBondContact CA-O 3.42Å; G32-V39 PolarHBondContact N-O 3.45Å; G32-V39 PolarHBondContact O-N 2.84Å; L34-V39 HydrophobicContact CB-CG1 3.84Å; L34-V39 HydrophobicContact CB-CG2 4.1Å
40	A	79.1	Confident	79.6	Confident	23 Å²	23	76.9 Å²	76.9	19%	0.19	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.5	165.8	0	0	0	0	0	107.5	I29 N30 V31 I60 I62	I29-A40 HydrophobicContact CG2-CB 4.18Å; N30-A40 CarbonylContact O-C 3.53Å; N30-A40 WeakPolarHBondContact O-CA 3.41Å; V31-A40 HydrophobicContact CG2-CB 4.34Å; A40-I60 HydrophobicContact CB-CD1 3.71Å; A40-I62 HydrophobicContact CB-CD1 3.96Å; A40-I62 HydrophobicContact CB-CG1 4.48Å
41	L	80.8	Confident	79.7	Confident	84 Å²	84	78.9 Å²	78.9	44%	0.44	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.5	168.7	177.9	65.6	0	0	0	107.7	I29 N30	I29-L41 CarbonylContact C-O 3.46Å; I29-L41 WeakPolarHBondContact CA-O 3.27Å; N30-L41 HydrophobicContact CB-CB 4.35Å; N30-L41 PolarHBondContact N-O 3.38Å; N30-L41 PolarHBondContact O-N 3.29Å
42	V	82.4	Confident	79.9	Confident	26 Å²	26	80.7 Å²	80.7	16%	0.158	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.4	173.1	-176.1	0	0	0	0	107.3	L21 I29 Y44 I60	L21-V42 HydrophobicContact CD1-CG1 3.97Å; L21-V42 HydrophobicContact CD1-CG2 4.06Å; I29-V42 HydrophobicContact CG1-CG2 4.34Å; V42-Y44 HydrophobicContact CG1-CD2 4.43Å; V42-Y44 HydrophobicContact CG1-CE2 3.85Å; V42-I60 HydrophobicContact CG2-CG2 4.47Å
43	S	81.5	Confident	80	Confident	45 Å²	45	79.6 Å²	79.6	32%	0.315	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.4	179.1	-62.3	0	0	0	0	109.6	L27 S28	L27-S43 CarbonylContact C-O 3.54Å; L27-S43 VanDerWaalsContact CA-O 3.27Å; L27-S43 WeakPolarHBondContact CA-O 3.37Å; S28-S43 PolarHBondContact N-O 3.25Å; S28-S43 PolarHBondContact O-N 3.03Å
44	Y	84.6	Confident	80	Confident	38 Å²	38	77 Å²	77	15%	0.149	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	152.2	173.1	-73	-89	0	0	0	110.8	L21 L27 V42 Y46 D49 A50 A53	L21-Y44 WeakPolarHBondContact CB-OH 3.46Å; L21-Y44 WeakPolarHBondContact CD2-OH 3.36Å; L21-Y44 PolarHBondContact O-OH 3.36Å; L27-Y44 HydrophobicContact CB-CD1 3.91Å; L27-Y44 HydrophobicContact CB-CE1 3.92Å; L27-Y44 HydrophobicContact CB-CG 4.43Å; L27-Y44 HydrophobicContact CD2-CE1 3.8Å; V42-Y44 HydrophobicContact CG1-CD2 4.43Å; V42-Y44 HydrophobicContact CG1-CE2 3.85Å; Y44-Y46 WeakPolarHBondContact CB-O 3.36Å; Y44-D49 HydrophobicContact CD1-CB 3.68Å; Y44-D49 HydrophobicContact CE1-CB 4.4Å; Y44-D49 HydrophobicContact CG-CB 4.11Å; Y44-A50 HydrophobicContact CD2-CB 3.81Å; Y44-A50 HydrophobicContact CG-CB 4.16Å; Y44-A53 HydrophobicContact CE1-CB 4.37Å; Y44-A53 HydrophobicContact CE2-CB 3.63Å; Y44-A53 VanDerWaalsContact OH-CB 3.28Å; Y44-A53 WeakPolarHBondContact OH-CB 3.18Å
45	R	86.6	Confident	80.3	Confident	160 Å²	160	81.7 Å²	81.7	60%	0.604	42%	0.421	S	S	*	.	S	Bend	trans	-66.7	-38.5	175.4	-177.2	176.2	179.4	172.7	1.5	112.4	D26	D26-R45 HydrophobicContact CB-CB 3.89Å; D26-R45 PolarHBondContact O-N 2.79Å; D26-R45 IonicContact OD2-NH1 2.93Å; D26-R45 PolarHBondContact OD2-NH1 2.85Å; D26-R45 VanDerWaalsContact OD2-NH1 3.1Å
46	Y	83.8	Confident	80.3	Confident	119 Å²	119	82.5 Å²	82.5	47%	0.467	41%	0.409	S	S	.	.	S	Bend	trans	-116.6	147.9	179.1	-56.9	-70.3	0	0	0	110.7	Y44 E48 A50	Y44-Y46 WeakPolarHBondContact CB-O 3.36Å; Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-A50 PolarHBondContact O-N 3.22Å
47	S	82.9	Confident	80	Confident	71 Å²	71	82.1 Å²	82.1	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-71.8	-29.6	-176	65.2	0	0	0	0	112.6	A50 Q51	S47-A50 WeakPolarHBondContact O-CB 3.43Å; S47-A50 PolarHBondContact O-N 2.88Å; S47-Q51 WeakPolarHBondContact O-CG 3.28Å; S47-Q51 PolarHBondContact O-N 3.12Å
48	E	86.1	Confident	79.9	Confident	118 Å²	118	76.2 Å²	76.2	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-63.1	-48.1	177.6	-63.1	76.7	-175.5	0	0	109.8	Y46 A50 Q51 E52	Y46-E48 VanDerWaalsContact C-N 3.3Å; E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 3.5Å; E48-Q51 PolarHBondContact O-N 3.09Å; E48-E52 WeakPolarHBondContact O-CB 2.96Å; E48-E52 PolarHBondContact O-N 3.24Å
49	D	84.7	Confident	79.9	Confident	29 Å²	29	74.7 Å²	74.7	16%	0.155	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-39.8	175.6	-54.7	-7.3	0	0	0	111.1	Y24 Y44 A53	Y24-D49 VanDerWaalsContact O-CB 3.27Å; Y24-D49 WeakPolarHBondContact O-CB 3.1Å; Y44-D49 HydrophobicContact CD1-CB 3.68Å; Y44-D49 HydrophobicContact CE1-CB 4.4Å; Y44-D49 HydrophobicContact CG-CB 4.11Å; D49-A53 WeakPolarHBondContact O-CB 3.27Å; D49-A53 PolarHBondContact O-N 3.13Å
50	A	80.1	Confident	79.8	Confident	38 Å²	38	72.3 Å²	72.3	31%	0.314	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-43.3	177	0	0	0	0	0	112.2	Y44 Y46 S47 E48 L54	Y44-A50 HydrophobicContact CD2-CB 3.81Å; Y44-A50 HydrophobicContact CG-CB 4.16Å; Y46-A50 PolarHBondContact O-N 3.22Å; S47-A50 WeakPolarHBondContact O-CB 3.43Å; S47-A50 PolarHBondContact O-N 2.88Å; E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 3.5Å; A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.47Å; A50-L54 PolarHBondContact O-N 2.99Å
51	Q	82.5	Confident	79.1	Confident	139 Å²	139	75.9 Å²	75.9	65%	0.65	36%	0.363	S	S	*	.	H	α-helix	trans	-67.2	-42.3	177.9	-73.2	-178.7	6.5	0	0	111.5	S47 E48 L54 R55	S47-Q51 WeakPolarHBondContact O-CG 3.28Å; S47-Q51 PolarHBondContact O-N 3.12Å; E48-Q51 PolarHBondContact O-N 3.09Å; Q51-L54 PolarHBondContact O-N 3.46Å; Q51-R55 PolarHBondContact O-N 3.03Å
52	E	82.1	Confident	78.6	Confident	95 Å²	95	72.8 Å²	72.8	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-49.3	175.6	-171.8	175.4	-171.3	0	0	110.5	Y24 E48 L54 R55 Y56	Y24-E52 HydrophobicContact CD1-CB 4.33Å; Y24-E52 HydrophobicContact CD1-CG 3.82Å; Y24-E52 HydrophobicContact CE1-CG 4.11Å; E48-E52 WeakPolarHBondContact O-CB 2.96Å; E48-E52 PolarHBondContact O-N 3.24Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 3.46Å; E52-R55 WeakPolarHBondContact O-CB 3.29Å; E52-R55 PolarHBondContact O-N 2.93Å; E52-Y56 HydrophobicContact CG-CD2 4.23Å; E52-Y56 HydrophobicContact CG-CE2 3.86Å; E52-Y56 WeakPolarHBondContact O-CD2 3.21Å; E52-Y56 PolarHBondContact O-N 3.11Å
53	A	80.3	Confident	77.9	Confident	3 Å²	3	75.9 Å²	75.9	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-55.4	-49.2	175.6	0	0	0	0	0	111.3	Y24 Y44 D49 R55 Y56 S57 P58	Y24-A53 HydrophobicContact CD1-CB 4.46Å; Y24-A53 HydrophobicContact CD2-CB 3.47Å; Y24-A53 VanDerWaalsContact CD2-CB 3.47Å; Y24-A53 HydrophobicContact CE2-CB 3.88Å; Y24-A53 HydrophobicContact CG-CB 3.79Å; Y44-A53 HydrophobicContact CE1-CB 4.37Å; Y44-A53 HydrophobicContact CE2-CB 3.63Å; Y44-A53 VanDerWaalsContact OH-CB 3.28Å; Y44-A53 WeakPolarHBondContact OH-CB 3.18Å; D49-A53 WeakPolarHBondContact O-CB 3.27Å; D49-A53 PolarHBondContact O-N 3.13Å; A53-R55 VanDerWaalsContact C-N 3.3Å; A53-R55 PolarHBondContact O-N 2.8Å; A53-Y56 PolarHBondContact O-N 2.91Å; A53-Y56 VanDerWaalsContact O-N 3.12Å; A53-S57 PolarHBondContact O-N 3.2Å; A53-P58 WeakPolarHBondContact O-CD 3.44Å
54	L	77.5	Confident	77	Confident	65 Å²	65	81.1 Å²	81.1	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-58.6	-40.6	-180	-176.2	69.3	0	0	0	112.6	A50 Q51 E52 Y56 S57	A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.47Å; A50-L54 PolarHBondContact O-N 2.99Å; Q51-L54 PolarHBondContact O-N 3.46Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 3.46Å; L54-Y56 PolarHBondContact O-N 2.87Å; L54-S57 PolarHBondContact O-N 3.19Å; L54-S57 PolarHBondContact O-OG 3.5Å
55	R	77.6	Confident	76.1	Confident	210 Å²	210	88.4 Å²	88.4	79%	0.792	41%	0.409	S	S	*	.	H	α-helix	trans	-56	-35.5	178.4	-174.3	-178.8	179.2	-177	0.1	112.3	Q51 E52 A53	Q51-R55 PolarHBondContact O-N 3.03Å; E52-R55 WeakPolarHBondContact O-CB 3.29Å; E52-R55 PolarHBondContact O-N 2.93Å; A53-R55 VanDerWaalsContact C-N 3.3Å; A53-R55 PolarHBondContact O-N 2.8Å
56	Y	78.3	Confident	75.2	Confident	133 Å²	133	85 Å²	85	52%	0.522	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.5	178.7	-68.4	-73.8	0	0	0	113.9	Y24 E52 A53 L54	Y24-Y56 AromaticContact CE1-CD2 3.48Å; Y24-Y56 HydrophobicContact CE1-CD2 3.48Å; Y24-Y56 VanDerWaalsContact CE1-CD2 3.48Å; Y24-Y56 AromaticContact CE1-CE2 3.99Å; Y24-Y56 HydrophobicContact CE1-CE2 3.99Å; Y24-Y56 HydrophobicContact CE1-CG 4.31Å; Y24-Y56 AromaticContact CZ-CD2 3.8Å; Y24-Y56 WeakPolarHBondContact OH-CB 3.36Å; Y24-Y56 WeakPolarHBondContact OH-CD2 3.35Å; E52-Y56 HydrophobicContact CG-CD2 4.23Å; E52-Y56 HydrophobicContact CG-CE2 3.86Å; E52-Y56 WeakPolarHBondContact O-CD2 3.21Å; E52-Y56 PolarHBondContact O-N 3.11Å; A53-Y56 PolarHBondContact O-N 2.91Å; A53-Y56 VanDerWaalsContact O-N 3.12Å; L54-Y56 PolarHBondContact O-N 2.87Å
57	S	72.2	Confident	74.4	Confident	69 Å²	69	82.4 Å²	82.4	48%	0.483	41%	0.405	S	S	.	.			trans	46.3	60.7	176.7	-65.5	0	0	0	0	113.5	A53 L54	A53-S57 PolarHBondContact O-N 3.2Å; L54-S57 PolarHBondContact O-N 3.19Å; L54-S57 PolarHBondContact O-OG 3.5Å
58	P	71.3	Confident	73.6	Confident	5 Å²	5	84.2 Å²	84.2	3%	0.032	41%	0.409	C	S	.	.			trans	-63.4	150.6	-174.6	26.2	-36.2	0	0	0	111.3	L21 A53 V69	L21-P58 HydrophobicContact CD2-CB 3.31Å; L21-P58 HydrophobicContact CD2-CG 3.15Å; L21-P58 HydrophobicContact CG-CB 4.36Å; A53-P58 WeakPolarHBondContact O-CD 3.44Å; P58-V69 HydrophobicContact CG-CB 4.08Å; P58-V69 HydrophobicContact CG-CG2 4.12Å; P58-V69 WeakPolarHBondContact O-CG2 3.28Å; P58-V69 PolarHBondContact O-N 3.29Å
59	T	70.8	Confident	72.4	Confident	43 Å²	43	79.9 Å²	79.9	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.2	176.8	-59.3	0	0	0	0	109.9	Y61 P66	T59-Y61 HydrophobicContact CG2-CE2 4.08Å; T59-P66 HydrophobicContact CG2-CB 3.63Å
60	I	70.7	Confident	71.4	Confident	6 Å²	6	84.1 Å²	84.1	3%	0.031	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.2	167.3	54.3	163	0	0	0	109.7	V16 L21 A40 V42 I62 T67 V69	V16-I60 HydrophobicContact CG1-CB 4.19Å; V16-I60 HydrophobicContact CG1-CG2 4.27Å; L21-I60 HydrophobicContact CD1-CG2 3.61Å; A40-I60 HydrophobicContact CB-CD1 3.71Å; V42-I60 HydrophobicContact CG2-CG2 4.47Å; I60-I62 HydrophobicContact CD1-CD1 4.03Å; I60-I62 HydrophobicContact CD1-CG1 4.2Å; I60-T67 VanDerWaalsContact CG1-O 3.3Å; I60-T67 WeakPolarHBondContact CG1-O 3.39Å; I60-T67 PolarHBondContact N-O 2.94Å; I60-T67 PolarHBondContact O-N 2.93Å; I60-V69 HydrophobicContact CB-CG2 4.29Å; I60-V69 HydrophobicContact CD1-CG2 4.22Å; I60-V69 HydrophobicContact CG1-CG2 3.86Å; I60-V69 HydrophobicContact CG2-CG2 3.58Å
61	Y	65.3	Low	70.3	Confident	98 Å²	98	85.5 Å²	85.5	38%	0.384	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.7	176.1	-66.7	-93.5	0	0	0	109.6	K17 T59 R65 P66	K17-Y61 HydrophobicContact CB-CD2 4.28Å; T59-Y61 HydrophobicContact CG2-CE2 4.08Å; Y61-R65 WeakPolarHBondContact CA-O 3.32Å; Y61-P66 HydrophobicContact CD1-CB 4.23Å; Y61-P66 HydrophobicContact CE1-CB 3.82Å; Y61-P66 HydrophobicContact CE1-CG 4.47Å
62	I	69.4	Low	69.2	Low	19 Å²	19	84.6 Å²	84.6	10%	0.097	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115.2	172.2	-46.1	-179.2	0	0	0	106.2	R38 A40 I60 R65	R38-I62 HydrophobicContact CB-CG2 3.99Å; A40-I62 HydrophobicContact CB-CD1 3.96Å; A40-I62 HydrophobicContact CB-CG1 4.48Å; I60-I62 HydrophobicContact CD1-CD1 4.03Å; I60-I62 HydrophobicContact CD1-CG1 4.2Å; I62-R65 PolarHBondContact N-O 2.83Å; I62-R65 VanDerWaalsContact N-O 3.11Å; I62-R65 PolarHBondContact O-N 3.35Å
63	F	66.6	Low	67.5	Low	91 Å²	91	87.1 Å²	87.1	40%	0.399	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	46	-171.4	-61.4	-101.3	0	0	0	114.6	W14 R38 R65	W14-F63 AromaticContact CE3-CD1 3.86Å; W14-F63 HydrophobicContact CE3-CD1 3.86Å; W14-F63 HydrophobicContact CE3-CD2 4.39Å; W14-F63 AromaticContact CE3-CE1 3.91Å; W14-F63 HydrophobicContact CE3-CE1 3.91Å; W14-F63 HydrophobicContact CE3-CE2 4.41Å; W14-F63 HydrophobicContact CE3-CG 4.11Å; W14-F63 HydrophobicContact CE3-CZ 4.17Å; W14-F63 AromaticContact CH2-CD1 3.58Å; W14-F63 HydrophobicContact CH2-CD1 3.58Å; W14-F63 AromaticContact CH2-CE1 2.93Å; W14-F63 HydrophobicContact CH2-CE1 2.93Å; W14-F63 HydrophobicContact CH2-CE2 4.38Å; W14-F63 AromaticContact CH2-CZ 3.4Å; W14-F63 HydrophobicContact CH2-CZ 3.4Å; W14-F63 VanDerWaalsContact CH2-CZ 3.4Å; W14-F63 HydrophobicContact CZ2-CE1 4.01Å; W14-F63 HydrophobicContact CZ2-CZ 4.09Å; W14-F63 AromaticContact CZ3-CD1 3Å; W14-F63 HydrophobicContact CZ3-CD1 3Å; W14-F63 HydrophobicContact CZ3-CD2 4.22Å; W14-F63 AromaticContact CZ3-CE1 2.9Å; W14-F63 HydrophobicContact CZ3-CE1 2.9Å; W14-F63 HydrophobicContact CZ3-CE2 4.13Å; W14-F63 AromaticContact CZ3-CG 3.7Å; W14-F63 HydrophobicContact CZ3-CG 3.7Å; W14-F63 AromaticContact CZ3-CZ 3.51Å; W14-F63 HydrophobicContact CZ3-CZ 3.51Å; R38-F63 HydrophobicContact CB-CE2 3.99Å; R38-F63 HydrophobicContact CG-CE2 3.52Å; R38-F63 HydrophobicContact CG-CZ 4.17Å; F63-R65 PolarHBondContact O-N 2.95Å
64	D	63.9	Low	65.6	Low	154 Å²	154	93 Å²	93	82%	0.824	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	6.2	-179.9	-44.7	-50.6	0	0	0	114.3
65	R	65.5	Low	63.7	Low	192 Å²	192	97 Å²	97	73%	0.725	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	125.2	172.1	-63.5	-173.8	-179.6	-161.4	-0.7	109.2	Y61 I62 F63	Y61-R65 WeakPolarHBondContact CA-O 3.32Å; I62-R65 PolarHBondContact N-O 2.83Å; I62-R65 VanDerWaalsContact N-O 3.11Å; I62-R65 PolarHBondContact O-N 3.35Å; F63-R65 PolarHBondContact O-N 2.95Å
66	P	67.4	Low	61.6	Low	88 Å²	88	91.4 Å²	91.4	57%	0.571	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.2	173.7	28.5	-32.9	0	0	0	109.5	T59 Y61	T59-P66 HydrophobicContact CG2-CB 3.63Å; Y61-P66 HydrophobicContact CD1-CB 4.23Å; Y61-P66 HydrophobicContact CE1-CB 3.82Å; Y61-P66 HydrophobicContact CE1-CG 4.47Å
67	T	66.8	Low	59.6	Low	65 Å²	65	92.1 Å²	92.1	40%	0.399	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134	173.5	-57	0	0	0	0	108.4	I60	I60-T67 VanDerWaalsContact CG1-O 3.3Å; I60-T67 WeakPolarHBondContact CG1-O 3.39Å; I60-T67 PolarHBondContact N-O 2.94Å; I60-T67 PolarHBondContact O-N 2.93Å
68	N	65.4	Low	58	Low	108 Å²	108	98.2 Å²	98.2	58%	0.578	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.1	177.2	-65.1	-22.9	0	0	0	110	T70	N68-T70 PolarHBondContact O-N 3.2Å
69	V	62.5	Low	56.5	Low	28 Å²	28	101.5 Å²	101.5	17%	0.17	55%	0.551	C	S	.	*			trans	-70.5	127.4	169.2	178.8	0	0	0	0	108.4	P58 I60	P58-V69 HydrophobicContact CG-CB 4.08Å; P58-V69 HydrophobicContact CG-CG2 4.12Å; P58-V69 WeakPolarHBondContact O-CG2 3.28Å; P58-V69 PolarHBondContact O-N 3.29Å; I60-V69 HydrophobicContact CB-CG2 4.29Å; I60-V69 HydrophobicContact CD1-CG2 4.22Å; I60-V69 HydrophobicContact CG1-CG2 3.86Å; I60-V69 HydrophobicContact CG2-CG2 3.58Å
70	T	62.3	Low	54.7	Low	118 Å²	118	104.6 Å²	104.6	72%	0.724	57%	0.566	S	S	*	*			trans	-121.5	147.2	174.4	50.2	0	0	0	0	108.7	N68 L72	N68-T70 PolarHBondContact O-N 3.2Å; T70-L72 PolarHBondContact O-N 3.12Å
71	S	57.2	Low	53.2	Low	67 Å²	67	111.4 Å²	111.4	47%	0.469	61%	0.609	S	S	.	*			trans	-65.9	133.2	176.3	-174.7	0	0	0	0	109.6	I73	S71-I73 PolarHBondContact O-N 3.44Å
72	L	60.7	Low	51.7	Low	119 Å²	119	116.8 Å²	116.8	62%	0.623	63%	0.628	S	S	*	*			trans	-73.3	87.9	160	-174.1	74.3	0	0	0	105.8	T70 D74 I75	T70-L72 PolarHBondContact O-N 3.12Å; L72-D74 PolarHBondContact O-N 3.32Å; L72-D74 VanDerWaalsContact O-N 3.13Å; L72-I75 HydrophobicContact CD1-CD1 4.49Å; L72-I75 HydrophobicContact CD2-CD1 4.19Å; L72-I75 HydrophobicContact CD2-CG1 4.36Å; L72-I75 HydrophobicContact CG-CG1 4.41Å
73	I	45.1	Very low	50	Low	148 Å²	148	124.7 Å²	124.7	76%	0.759	66%	0.662	S	S	*	*			trans	-56.1	123.2	172.4	-62.3	172	0	0	0	106.8	S71 I75	S71-I73 PolarHBondContact O-N 3.44Å; I73-I75 PolarHBondContact O-N 3.2Å
74	D	41.2	Very low	48.2	Very low	126 Å²	126	126 Å²	126	67%	0.674	68%	0.677	S	S	*	*			trans	-33	116.7	-173.1	-79.9	-53.3	0	0	0	114	L72 S76	L72-D74 PolarHBondContact O-N 3.32Å; L72-D74 VanDerWaalsContact O-N 3.13Å; D74-S76 PolarHBondContact O-N 3.01Å
75	I	38.6	Very low	46.8	Very low	150 Å²	150	126 Å²	126	77%	0.769	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	14.2	161.9	-23.1	174.4	0	0	0	111	L72 I73	L72-I75 HydrophobicContact CD1-CD1 4.49Å; L72-I75 HydrophobicContact CD2-CD1 4.19Å; L72-I75 HydrophobicContact CD2-CG1 4.36Å; L72-I75 HydrophobicContact CG-CG1 4.41Å; I73-I75 PolarHBondContact O-N 3.2Å
76	S	33.5	Very low	45.3	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	4.4	177.7	-169.8	0	0	0	0	113.7	D74 E78	D74-S76 PolarHBondContact O-N 3.01Å; S76-E78 PolarHBondContact O-N 3.39Å
77	N	35.4	Very low	43.6	Very low	148 Å²	148	121.7 Å²	121.7	79%	0.791	68%	0.68	S	S	*	*	S	Bend	trans	-81.5	80.1	159.9	-73.7	-23.1	0	0	0	108.5	G79	N77-G79 PolarHBondContact O-N 2.86Å
78	E	39.5	Very low	41.7	Very low	197 Å²	197	126 Å²	126	92%	0.921	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-31.7	105.2	155.9	-170.7	159.8	-162.5	0	0	110.3	S76	S76-E78 PolarHBondContact O-N 3.39Å
79	G	39.6	Very low	39.9	Very low	74 Å²	74	129 Å²	129	76%	0.763	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	179	-41.1	-178.9	0	0	0	0	0	118.3	N77	N77-G79 PolarHBondContact O-N 2.86Å
80	D	31.4	Very low	38.3	Very low	108 Å²	108	139.2 Å²	139.2	58%	0.578	74%	0.739	S	S	*	*			trans	-157.3	101.3	-173.3	-152.9	-12.6	0	0	0	114.8	R82	D80-R82 PolarHBondContact O-N 3.23Å; D80-R82 PolarHBondContact OD1-N 3.29Å
81	T	39.4	Very low	36.7	Very low	150 Å²	150	142.7 Å²	142.7	92%	0.92	75%	0.747	S	S	*	*	S	Bend	trans	-76.2	28.9	173.8	54.6	0	0	0	0	113.4
82	R	35.5	Very low	35.3	Very low	211 Å²	211	148.9 Å²	148.9	80%	0.796	77%	0.769	S	S	*	*			trans	-134.9	42.3	-180	-62.2	-169.1	-168.4	-168.2	5.4	115	D80	D80-R82 PolarHBondContact O-N 3.23Å; D80-R82 PolarHBondContact OD1-N 3.29Å
83	K	31.8	Very low	33.7	Very low	184 Å²	184	146.5 Å²	146.5	80%	0.8	77%	0.773	S	S	*	*			trans	-134	87.3	163.8	-66	-169.8	-177.4	179.9	0	112.8
84	V	29.1	Very low	33	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.715	78%	0.775	S	S	*	*			trans	-53.6	144.9	145.7	-177.1	0	0	0	0	107.8
85	I	35.4	Very low	32.4	Very low	154 Å²	154	149.6 Å²	149.6	79%	0.79	78%	0.782	S	S	*	*				169.2	139.9	124.5	-80.2	153.1	0	0	0	111.9
86	A	33.3	Very low	32.1	Very low	54 Å²	54	147 Å²	147	45%	0.446	78%	0.783	S	S	.	*			trans	-57.9	139.5	171.3	0	0	0	0	0	113.3	E88	A86-E88 VanDerWaalsContact C-N 3.34Å; A86-E88 PolarHBondContact O-N 2.95Å
87	S	32	Very low	32.2	Very low	137 Å²	137	151.5 Å²	151.5	96%	0.958	79%	0.794	S	S	*	*			trans	-69.5	87.7	167.6	-40.3	0	0	0	0	110.5
88	E	26.6	Very low	32.1	Very low	154 Å²	154	150.8 Å²	150.8	72%	0.72	79%	0.79	S	S	*	*			trans	-131.1	125.8	153	-170.4	179.4	145.4	0	0	109.3	A86	A86-E88 VanDerWaalsContact C-N 3.34Å; A86-E88 PolarHBondContact O-N 2.95Å
89	K	27.6	Very low	32	Very low	173 Å²	173	148.9 Å²	148.9	75%	0.752	79%	0.786	S	S	*	*			trans	86.1	110.6	161.5	-86.7	170.9	-179.4	170.2	0	121.9
90	R	29.6	Very low	31.7	Very low	242 Å²	242	152.4 Å²	152.4	91%	0.913	79%	0.788	S	S	*	*				21.5	114.6	123.9	-77.4	-174.4	174	166.1	-1.9	118.6
91	Q	28.4	Very low	32.2	Very low	190 Å²	190	153.9 Å²	153.9	89%	0.888	80%	0.795	S	S	*	*			trans	-170.5	108.1	137.2	-113	178.3	-39.4	0	0	103.4
92	E	28	Very low	32.3	Very low	198 Å²	198	157.8 Å²	157.8	93%	0.925	79%	0.793	S	S	*	*				41.3	100.6	61	-155.1	172.8	-154.5	0	0	112.8
93	G	26.8	Very low	32.4	Very low	68 Å²	68	157.9 Å²	157.9	70%	0.701	79%	0.794	S	S	*	*			trans	137.6	115	160.2	0	0	0	0	0	115.7
94	M	29.3	Very low	32.8	Very low	166 Å²	166	156.3 Å²	156.3	82%	0.818	79%	0.789	S	S	*	*			trans	73.5	102.6	152.6	-78.4	152.9	159.3	0	0	117.6
95	E	29.3	Very low	33.4	Very low	173 Å²	173	160.6 Å²	160.6	81%	0.808	79%	0.794	S	S	*	*				98.2	120.3	70.4	-88.6	179.6	-175.2	0	0	110.4
96	A	33.3	Very low	33.3	Very low	96 Å²	96	162.2 Å²	162.2	79%	0.793	80%	0.8	S	S	*	*			trans	18	122.8	156.6	0	0	0	0	0	119
97	E	34.2	Very low	33.3	Very low	187 Å²	187	166.6 Å²	166.6	87%	0.874	81%	0.811	S	S	*	*				-150	120.1	117.3	-110.9	177.6	168.8	0	0	111.4
98	D	34.5	Very low	33.4	Very low	133 Å²	133	166.2 Å²	166.2	71%	0.711	80%	0.798	S	S	*	*			trans	-55.5	126	166.7	-178.2	11.6	0	0	0	110.3	N100	D98-N100 PolarHBondContact OD1-N 2.92Å
99	N	37.1	Very low	34.1	Very low	156 Å²	156	167.1 Å²	167.1	83%	0.834	81%	0.806	S	S	*	*			trans	-152.3	68.9	160.4	-86.9	-42.3	0	0	0	109.1	D101	N99-D101 VanDerWaalsContact C-N 3.29Å; N99-D101 PolarHBondContact O-N 3.39Å; N99-D101 VanDerWaalsContact O-N 3.09Å
100	N	33.2	Very low	34.6	Very low	149 Å²	149	165.6 Å²	165.6	80%	0.797	81%	0.812	S	S	*	*			trans	-69.7	79.4	161.5	-172.6	20.2	0	0	0	110.2	D98	D98-N100 PolarHBondContact OD1-N 2.92Å
101	D	42.3	Very low	34.9	Very low	139 Å²	139	156.7 Å²	156.7	74%	0.743	80%	0.795	S	S	*	*			trans	-161	86.7	159.4	-153.6	1.1	0	0	0	113.4	N99	N99-D101 VanDerWaalsContact C-N 3.29Å; N99-D101 PolarHBondContact O-N 3.39Å; N99-D101 VanDerWaalsContact O-N 3.09Å
102	R	41.1	Very low	35.2	Very low	232 Å²	232	155.7 Å²	155.7	88%	0.875	79%	0.788	S	S	*	*			trans	-155.7	53.5	157.1	-137.9	168	164.1	155.1	-6.1	112.7
103	R	38.3	Very low	35.7	Very low	213 Å²	213	153.4 Å²	153.4	80%	0.804	79%	0.787	S	S	*	*			trans	-62.4	146.9	144.2	-65.1	-178.1	-176.8	-167.4	1.3	106.1
104	H	39	Very low	36.1	Very low	150 Å²	150	156.4 Å²	156.4	69%	0.694	78%	0.783	S	S	*	*			trans	79.3	93.9	-171.9	-39.8	-74.5	0	0	0	112.1
105	Y	42	Very low	36.6	Very low	209 Å²	209	153.8 Å²	153.8	82%	0.82	78%	0.78	S	S	*	*				-163.1	89.9	65.9	-104.4	-102.1	0	0	0	108.5	H107	Y105-H107 PolarHBondContact O-N 3.38Å
106	M	33.9	Very low	36.9	Very low	187 Å²	187	153 Å²	153	92%	0.921	78%	0.78	S	S	*	*			trans	-79	84.8	151.2	-74.1	-139	93.1	0	0	106.6
107	H	32.7	Very low	37.5	Very low	147 Å²	147	153.3 Å²	153.3	68%	0.681	78%	0.777	S	S	*	*			trans	-154.6	116.6	160.7	-101	-63.9	0	0	0	110.9	Y105	Y105-H107 PolarHBondContact O-N 3.38Å
108	N	34.3	Very low	37.8	Very low	129 Å²	129	149.1 Å²	149.1	69%	0.69	77%	0.766	S	S	*	*			trans	69.6	90.5	148.2	-58.1	2.6	0	0	0	117.4
109	I	40.9	Very low	38.3	Very low	172 Å²	172	150.4 Å²	150.4	88%	0.882	77%	0.772	S	S	*	*			trans	-119.7	72.2	138.7	-34.1	175	0	0	0	107.8	G111	I109-G111 PolarHBondContact O-N 2.88Å
110	T	38.7	Very low	38.6	Very low	142 Å²	142	151.8 Å²	151.8	87%	0.871	77%	0.771	S	S	*	*			trans	-75.6	99.4	154.1	-61.3	0	0	0	0	106
111	G	35.6	Very low	39.4	Very low	54 Å²	54	152.6 Å²	152.6	56%	0.557	78%	0.775	S	S	*	*			trans	-161.9	90.6	-177.9	0	0	0	0	0	111.2	I109	I109-G111 PolarHBondContact O-N 2.88Å
112	K	34.6	Very low	39.7	Very low	170 Å²	170	151.5 Å²	151.5	74%	0.739	78%	0.775	S	S	*	*			trans	12.3	106.1	157.8	-67	178.9	162.1	-159.4	0	116.4	E114	K112-E114 VanDerWaalsContact C-N 3.28Å; K112-E114 HydrophobicContact CB-CG 4.43Å; K112-E114 HydrophobicContact CD-CG 4.38Å; K112-E114 IonicContact NZ-OE1 3.1Å; K112-E114 PolarHBondContact NZ-OE1 3.16Å; K112-E114 PolarHBondContact O-N 3.36Å
113	V	38.4	Very low	40.3	Very low	150 Å²	150	149.7 Å²	149.7	91%	0.909	77%	0.774	S	S	*	*			trans	-81.6	89.1	146.9	-179.9	0	0	0	0	105.9	S115	V113-S115 PolarHBondContact O-N 3.26Å
114	E	35.9	Very low	40.8	Very low	131 Å²	131	145.5 Å²	145.5	61%	0.612	77%	0.774	S	S	*	*			trans	-61	117	164.1	-88.4	171.4	179.5	0	0	107.6	K112 I116	K112-E114 VanDerWaalsContact C-N 3.28Å; K112-E114 HydrophobicContact CB-CG 4.43Å; K112-E114 HydrophobicContact CD-CG 4.38Å; K112-E114 IonicContact NZ-OE1 3.1Å; K112-E114 PolarHBondContact NZ-OE1 3.16Å; K112-E114 PolarHBondContact O-N 3.36Å; E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 2.95Å
115	S	38.8	Very low	41.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	78%	0.777	S	S	*	*			trans	-65.8	90.3	172.4	58.5	0	0	0	0	109	V113 S117	V113-S115 PolarHBondContact O-N 3.26Å; S115-S117 VanDerWaalsContact C-N 3.33Å; S115-S117 PolarHBondContact O-N 3.23Å
116	I	36.2	Very low	42	Very low	156 Å²	156	142.3 Å²	142.3	80%	0.8	80%	0.8	S	S	*	*			trans	-81.3	85	161.5	43.3	163.5	0	0	0	108.1	E114 P118	E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 2.95Å; I116-P118 WeakPolarHBondContact O-CD 3.46Å
117	S	45.3	Very low	42.4	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	79%	0.794	S	S	*	*			trans	-87.6	100.9	154.5	51.9	0	0	0	0	107.3	S115 D119	S115-S117 VanDerWaalsContact C-N 3.33Å; S115-S117 PolarHBondContact O-N 3.23Å; S117-D119 PolarHBondContact O-N 3.14Å
118	P	42.1	Very low	42.9	Very low	99 Å²	99	139.7 Å²	139.7	64%	0.643	80%	0.8	S	S	*	*			trans	-72.8	120.8	170.8	29.8	-32.1	0	0	0	109.2	I116 F120	I116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-F120 HydrophobicContact CB-CD2 4.12Å; P118-F120 HydrophobicContact CB-CE2 4.4Å; P118-F120 PolarHBondContact O-N 3.38Å
119	D	44.6	Very low	43.4	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	81%	0.806	S	S	*	*			trans	-49.3	99.8	157.6	-88.4	-43.3	0	0	0	110.5	S117	S117-D119 PolarHBondContact O-N 3.14Å
120	F	42.9	Very low	43.6	Very low	186 Å²	186	138.5 Å²	138.5	82%	0.816	80%	0.802	S	S	*	*			trans	-143	67.5	158.5	-77.9	-77.8	0	0	0	109.8	P118 P122	P118-F120 HydrophobicContact CB-CD2 4.12Å; P118-F120 HydrophobicContact CB-CE2 4.4Å; P118-F120 PolarHBondContact O-N 3.38Å; F120-P122 WeakPolarHBondContact O-CD 3.45Å
121	L	50.6	Low	43.9	Very low	166 Å²	166	138.3 Å²	138.3	87%	0.869	80%	0.797	S	S	*	*			trans	-87.9	108.3	148.7	-68.2	179.5	0	0	0	106.8	K123	L121-K123 PolarHBondContact O-N 3.1Å
122	P	48.7	Very low	44.4	Very low	116 Å²	116	143.9 Å²	143.9	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.5	124	171.2	23.3	-30	0	0	0	108.2	F120	F120-P122 WeakPolarHBondContact O-CD 3.45Å
123	K	52	Low	45.1	Very low	194 Å²	194	142 Å²	142	84%	0.843	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-56.3	130	169.8	-73.4	177.6	178.9	174.8	0	108	L121 A125	L121-K123 PolarHBondContact O-N 3.1Å; K123-A125 PolarHBondContact O-N 3.47Å
124	P	49.1	Very low	45.6	Very low	125 Å²	125	141.4 Å²	141.4	81%	0.812	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-57.6	128.4	161.5	23.1	-28.2	0	0	0	108.1
125	A	51.5	Low	46.4	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-63.5	159.3	168	0	0	0	0	0	109.7	K123	K123-A125 PolarHBondContact O-N 3.47Å
126	P	55.6	Low	47.1	Very low	200 Å²	200	145.2 Å²	145.2	100%	1.299	83%	0.834	S	S	*	*				-71.4	0	-129.1	29.2	-37.1	0	0	0	116.2

Retrieved 126 of 126 residues in 24.2 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).