A0A5K4FCR3_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4FCR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 aa.

						>A0A5K4FCR3_SCHMA|A0A5K4FCR3
MLYRIILLFTLLFDLSITKEIDVYKLPFVISKSGAMIITDHEEKMSLSSDLLLTHKDILCTTKIDLKRPTEAEIKAKSGKRKVFQHCKNETKIEKPRKEVPKKSVKK
					

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	74.4	Confident	83.8	Confident	200 Å²	200	128.5 Å²	128.5	99%	0.985	61%	0.612	S	S	*	*				0	-45.5	0	-87.6	-163.3	152.4	0	0	113	Y3 R4 I5	M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-R4 PolarHBondContact O-N 3.05Å; M1-I5 PolarHBondContact O-N 3.22Å
2	L	84.3	Confident	83	Confident	129 Å²	129	125.8 Å²	125.8	68%	0.675	60%	0.603	S	S	*	*	H	α-helix	trans	-49.6	-44.6	-179.8	-171.4	65.1	0	0	0	114.3	R4 I5 I6	L2-R4 VanDerWaalsContact C-N 3.31Å; L2-R4 PolarHBondContact O-N 3.47Å; L2-I5 PolarHBondContact O-N 3.29Å; L2-I5 VanDerWaalsContact O-N 3.09Å; L2-I6 HydrophobicContact CG-CD1 4.04Å; L2-I6 WeakPolarHBondContact O-CG1 3.42Å; L2-I6 PolarHBondContact O-N 3.05Å
3	Y	86	Confident	82.2	Confident	184 Å²	184	127.2 Å²	127.2	72%	0.722	61%	0.605	S	S	*	*	H	α-helix	trans	-59.9	-37.2	179.2	-166.4	-94.6	0	0	0	113.7	M1 I5 L7	M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.43Å; Y3-I5 VanDerWaalsContact C-N 3.32Å; Y3-I5 PolarHBondContact O-N 3.04Å; Y3-L7 HydrophobicContact CE1-CD1 4.21Å; Y3-L7 WeakPolarHBondContact O-CB 3.49Å; Y3-L7 PolarHBondContact O-N 3.01Å
4	R	86.7	Confident	81.3	Confident	199 Å²	199	126.1 Å²	126.1	75%	0.751	61%	0.605	S	S	*	*	H	α-helix	trans	-67.8	-34.2	177.2	-70.3	-173.3	177.5	177.6	-1.3	111.8	M1 L2 L8	M1-R4 PolarHBondContact O-N 3.05Å; L2-R4 VanDerWaalsContact C-N 3.31Å; L2-R4 PolarHBondContact O-N 3.47Å; R4-L8 PolarHBondContact O-N 3.32Å
5	I	87.8	Confident	80.4	Confident	95 Å²	95	126.5 Å²	126.5	49%	0.487	61%	0.611	S	S	.	*	H	α-helix	trans	-71.2	-44.7	178.6	-61.3	171	0	0	0	110	M1 L2 Y3 L7 L8 F9	M1-I5 PolarHBondContact O-N 3.22Å; L2-I5 PolarHBondContact O-N 3.29Å; L2-I5 VanDerWaalsContact O-N 3.09Å; Y3-I5 VanDerWaalsContact C-N 3.32Å; Y3-I5 PolarHBondContact O-N 3.04Å; I5-L7 PolarHBondContact O-N 3.49Å; I5-L8 PolarHBondContact O-N 3.09Å; I5-F9 HydrophobicContact CG2-CD2 4.2Å; I5-F9 PolarHBondContact O-N 3.31Å
6	I	88.7	Confident	79.5	Confident	93 Å²	93	123.9 Å²	123.9	48%	0.477	61%	0.609	S	S	.	*	H	α-helix	trans	-60.7	-45.1	176.8	-63.6	169.4	0	0	0	110.7	L2 L8 F9 T10	L2-I6 HydrophobicContact CG-CD1 4.04Å; L2-I6 WeakPolarHBondContact O-CG1 3.42Å; L2-I6 PolarHBondContact O-N 3.05Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3.08Å; I6-F9 WeakPolarHBondContact O-CB 3.35Å; I6-F9 PolarHBondContact O-N 2.92Å; I6-F9 VanDerWaalsContact O-N 3.15Å; I6-T10 PolarHBondContact O-N 2.96Å; I6-T10 PolarHBondContact O-OG1 3.15Å
7	L	86.8	Confident	78.5	Confident	87 Å²	87	123.6 Å²	123.6	46%	0.455	61%	0.609	S	S	.	*	H	α-helix	trans	-61.5	-38.1	178.8	-161.9	102	0	0	0	112.7	Y3 I5 T10 L11	Y3-L7 HydrophobicContact CE1-CD1 4.21Å; Y3-L7 WeakPolarHBondContact O-CB 3.49Å; Y3-L7 PolarHBondContact O-N 3.01Å; I5-L7 PolarHBondContact O-N 3.49Å; L7-T10 WeakPolarHBondContact CA-OG1 3.49Å; L7-T10 PolarHBondContact O-OG1 2.76Å; L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 PolarHBondContact O-N 3.39Å
8	L	85.1	Confident	77.7	Confident	108 Å²	108	123.1 Å²	123.1	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-67.1	-40.4	175.6	-118.8	133.6	0	0	0	111.4	R4 I5 I6 L11 L12	R4-L8 PolarHBondContact O-N 3.32Å; I5-L8 PolarHBondContact O-N 3.09Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.23Å; L8-L12 HydrophobicContact CD2-CD1 4.41Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.46Å; L8-L12 VanDerWaalsContact O-N 3.08Å
9	F	81.9	Confident	76.9	Confident	139 Å²	139	126.5 Å²	126.5	61%	0.61	63%	0.625	S	S	*	*	H	α-helix	trans	-64.2	-43	176.4	-104.9	-85	0	0	0	112.3	I5 I6 L12 F13	I5-F9 HydrophobicContact CG2-CD2 4.2Å; I5-F9 PolarHBondContact O-N 3.31Å; I6-F9 WeakPolarHBondContact O-CB 3.35Å; I6-F9 PolarHBondContact O-N 2.92Å; I6-F9 VanDerWaalsContact O-N 3.15Å; F9-L12 PolarHBondContact O-N 3.17Å; F9-F13 WeakPolarHBondContact O-CB 3.46Å; F9-F13 PolarHBondContact O-N 2.87Å
10	T	81.6	Confident	76.4	Confident	70 Å²	70	128.9 Å²	128.9	43%	0.429	64%	0.635	S	S	.	*	H	α-helix	trans	-62.8	-43.2	176.8	49.1	0	0	0	0	111.7	I6 L7 L12 F13 D14	I6-T10 PolarHBondContact O-N 2.96Å; I6-T10 PolarHBondContact O-OG1 3.15Å; L7-T10 WeakPolarHBondContact CA-OG1 3.49Å; L7-T10 PolarHBondContact O-OG1 2.76Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.38Å; T10-F13 PolarHBondContact O-N 3.34Å; T10-D14 VanDerWaalsContact O-CG 3.25Å; T10-D14 PolarHBondContact O-N 2.83Å
11	L	78.9	Confident	76.1	Confident	110 Å²	110	130 Å²	130	58%	0.576	64%	0.641	S	S	*	*	H	α-helix	trans	-60.5	-39.9	176.1	-89.6	158.2	0	0	0	113	L7 L8 L15	L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3.23Å; L11-L15 PolarHBondContact O-N 3.15Å
12	L	74.4	Confident	76.1	Confident	95 Å²	95	125.4 Å²	125.4	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-72.4	-35.9	177.4	-71.3	169.7	0	0	0	112.2	L8 F9 T10 L15 S16	L8-L12 HydrophobicContact CD2-CD1 4.41Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.46Å; L8-L12 VanDerWaalsContact O-N 3.08Å; F9-L12 PolarHBondContact O-N 3.17Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 3.17Å; L12-S16 WeakPolarHBondContact O-CB 3.49Å; L12-S16 PolarHBondContact O-N 2.96Å; L12-S16 PolarHBondContact O-OG 3.35Å
13	F	72.6	Confident	75.7	Confident	144 Å²	144	125.2 Å²	125.2	63%	0.632	63%	0.625	S	S	*	*	H	α-helix	trans	-66.4	-43.9	176.3	-134.2	-90.3	0	0	0	110.9	F9 T10 L15 S16 I17	F9-F13 WeakPolarHBondContact O-CB 3.46Å; F9-F13 PolarHBondContact O-N 2.87Å; T10-F13 PolarHBondContact O-N 3.34Å; F13-L15 PolarHBondContact O-N 3.24Å; F13-S16 WeakPolarHBondContact O-CA 3.42Å; F13-S16 WeakPolarHBondContact O-CB 3.47Å; F13-S16 PolarHBondContact O-N 3.02Å; F13-I17 PolarHBondContact O-N 3.22Å; F13-I17 VanDerWaalsContact O-N 3.15Å
14	D	69.6	Low	75.2	Confident	113 Å²	113	124.7 Å²	124.7	60%	0.604	62%	0.623	S	S	*	*	H	α-helix	trans	-59	-36.7	174.8	-69.1	-24.3	0	0	0	111.8	T10 S16	T10-D14 VanDerWaalsContact O-CG 3.25Å; T10-D14 PolarHBondContact O-N 2.83Å; D14-S16 VanDerWaalsContact C-N 3.33Å
15	L	67.7	Low	75	Confident	132 Å²	132	125 Å²	125	69%	0.691	63%	0.629	S	S	*	*	H	α-helix	trans	-70.7	-29.5	174.6	-158.3	75.7	0	0	0	112.6	L11 L12 F13	L11-L15 PolarHBondContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3.17Å; F13-L15 PolarHBondContact O-N 3.24Å
16	S	65.8	Low	74.8	Confident	85 Å²	85	123.5 Å²	123.5	59%	0.594	62%	0.622	S	S	*	*	H	α-helix	trans	-79.6	-19.1	-177.9	-57.1	0	0	0	0	113.1	L12 F13 D14 T18	L12-S16 WeakPolarHBondContact O-CB 3.49Å; L12-S16 PolarHBondContact O-N 2.96Å; L12-S16 PolarHBondContact O-OG 3.35Å; F13-S16 WeakPolarHBondContact O-CA 3.42Å; F13-S16 WeakPolarHBondContact O-CB 3.47Å; F13-S16 PolarHBondContact O-N 3.02Å; D14-S16 VanDerWaalsContact C-N 3.33Å; S16-T18 PolarHBondContact O-N 3.31Å; S16-T18 PolarHBondContact O-OG1 2.93Å
17	I	63	Low	74.9	Confident	118 Å²	118	123.6 Å²	123.6	61%	0.605	63%	0.629	S	S	*	*			trans	-75.8	48.8	165	-45.2	168	0	0	0	108.6	F13 K19	F13-I17 PolarHBondContact O-N 3.22Å; F13-I17 VanDerWaalsContact O-N 3.15Å; I17-K19 VanDerWaalsContact C-N 3.33Å; I17-K19 PolarHBondContact O-N 3.02Å
18	T	63.3	Low	75.2	Confident	115 Å²	115	125 Å²	125	71%	0.706	63%	0.632	S	S	*	*			trans	-64.2	101.6	166.1	13.2	0	0	0	0	105.2	S16 E20	S16-T18 PolarHBondContact O-N 3.31Å; S16-T18 PolarHBondContact O-OG1 2.93Å; T18-E20 PolarHBondContact O-N 2.93Å
19	K	63.2	Low	75.7	Confident	188 Å²	188	124.3 Å²	124.3	82%	0.817	63%	0.632	S	S	*	*			trans	-42.8	116	178.3	-66.9	-178	175	-176.5	0	108.6	I17 I21	I17-K19 VanDerWaalsContact C-N 3.33Å; I17-K19 PolarHBondContact O-N 3.02Å; K19-I21 PolarHBondContact O-N 3.41Å
20	E	66.8	Low	76.4	Confident	174 Å²	174	122.3 Å²	122.3	81%	0.813	63%	0.627	S	S	*	*			trans	-50.6	120.3	165.7	-71.4	-174.8	162.5	0	0	106.3	T18 D22	T18-E20 PolarHBondContact O-N 2.93Å; E20-D22 VanDerWaalsContact C-N 3.33Å; E20-D22 PolarHBondContact O-N 2.96Å
21	I	70.1	Confident	77	Confident	151 Å²	151	120.7 Å²	120.7	77%	0.774	62%	0.618	S	S	*	*			trans	-70.2	102.1	175.3	-61.8	171.8	0	0	0	104.4	K19 V23	K19-I21 PolarHBondContact O-N 3.41Å; I21-V23 WeakPolarHBondContact O-CG2 3.48Å; I21-V23 PolarHBondContact O-N 2.96Å
22	D	73.1	Confident	77.7	Confident	104 Å²	104	126.2 Å²	126.2	56%	0.556	64%	0.637	S	S	*	*			trans	-59.4	109.2	172.2	-75.1	-31.5	0	0	0	108.4	E20 Y24	E20-D22 VanDerWaalsContact C-N 3.33Å; E20-D22 PolarHBondContact O-N 2.96Å; D22-Y24 HydrophobicContact CB-CD2 3.94Å; D22-Y24 HydrophobicContact CB-CE1 4.5Å; D22-Y24 HydrophobicContact CB-CE2 3.19Å; D22-Y24 VanDerWaalsContact O-CD2 3.3Å; D22-Y24 WeakPolarHBondContact O-CD2 3.35Å; D22-Y24 PolarHBondContact O-N 3.05Å; D22-Y24 PolarHBondContact OD2-OH 3.4Å
23	V	76.6	Confident	78.6	Confident	126 Å²	126	126 Å²	126	76%	0.764	64%	0.644	S	S	*	*			trans	-84.5	95.4	177.3	-177.7	0	0	0	0	108.2	I21	I21-V23 WeakPolarHBondContact O-CG2 3.48Å; I21-V23 PolarHBondContact O-N 2.96Å
24	Y	76.6	Confident	79.5	Confident	173 Å²	173	121.1 Å²	121.1	68%	0.678	63%	0.634	S	S	*	*			trans	-81.7	127.7	174.2	-62.3	-83.1	0	0	0	111	D22 L26	D22-Y24 HydrophobicContact CB-CD2 3.94Å; D22-Y24 HydrophobicContact CB-CE1 4.5Å; D22-Y24 HydrophobicContact CB-CE2 3.19Å; D22-Y24 VanDerWaalsContact O-CD2 3.3Å; D22-Y24 WeakPolarHBondContact O-CD2 3.35Å; D22-Y24 PolarHBondContact O-N 3.05Å; D22-Y24 PolarHBondContact OD2-OH 3.4Å; Y24-L26 PolarHBondContact O-N 2.95Å
25	K	81.1	Confident	80.7	Confident	204 Å²	204	116.3 Å²	116.3	89%	0.887	61%	0.61	S	S	*	*			trans	-85.4	97.1	171.6	-69	-178.1	-178.2	176.3	0	109.3
26	L	84.3	Confident	82.1	Confident	64 Å²	64	113.6 Å²	113.6	34%	0.335	59%	0.594	S	S	.	*			trans	-89	131.4	175	-66.9	173.9	0	0	0	110.8	Y24 I38 D40 M45	Y24-L26 PolarHBondContact O-N 2.95Å; L26-I38 HydrophobicContact CB-CG2 3.74Å; L26-I38 HydrophobicContact CD1-CG2 3.85Å; L26-I38 HydrophobicContact CG-CG2 4.37Å; L26-D40 HydrophobicContact CD2-CB 4.08Å; L26-M45 HydrophobicContact CD1-CE 4.38Å
27	P	90.2	Very high	83.5	Confident	96 Å²	96	111.1 Å²	111.1	62%	0.623	57%	0.574	S	S	*	*			trans	-65.9	143.7	172.5	29.2	-33.6	0	0	0	109.9
28	F	94.3	Very high	85	Confident	116 Å²	116	107.4 Å²	107.4	51%	0.509	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.3	153.6	171.7	69.8	-91.2	0	0	0	110.7	I30 M36 I37 I38	F28-I30 HydrophobicContact CD2-CD1 3.81Å; F28-I30 HydrophobicContact CD2-CG1 4.31Å; F28-I30 HydrophobicContact CE2-CD1 3.81Å; F28-I30 HydrophobicContact CE2-CG1 4.12Å; F28-M36 HydrophobicContact CB-CG 4.13Å; F28-M36 HydrophobicContact CD2-CE 4.26Å; F28-M36 HydrophobicContact CD2-CG 3.93Å; F28-M36 HydrophobicContact CD2-SD 4.42Å; F28-M36 HydrophobicContact CE2-CE 4.19Å; F28-M36 HydrophobicContact CG-CG 4.2Å; F28-M36 HydrophobicContact CG-SD 4.48Å; F28-I37 CarbonylContact C-O 3.49Å; F28-I37 WeakPolarHBondContact CA-O 3.46Å; F28-I37 WeakPolarHBondContact CB-O 3.3Å; F28-I38 HydrophobicContact CB-CG1 3.68Å
29	V	95.1	Very high	86.2	Confident	93 Å²	93	105.9 Å²	105.9	56%	0.564	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	148.6	170.6	-60.1	0	0	0	0	109.7	I37	V29-I37 HydrophobicContact CG2-CB 3.87Å; V29-I37 HydrophobicContact CG2-CG2 4.48Å; V29-I37 PolarHBondContact N-O 3.11Å; V29-I37 PolarHBondContact O-N 2.91Å
30	I	95.7	Very high	87.2	Confident	98 Å²	98	99.9 Å²	99.9	50%	0.503	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.2	171.7	-54.9	-57.2	0	0	0	108.1	F28 A35 M36	F28-I30 HydrophobicContact CD2-CD1 3.81Å; F28-I30 HydrophobicContact CD2-CG1 4.31Å; F28-I30 HydrophobicContact CE2-CD1 3.81Å; F28-I30 HydrophobicContact CE2-CG1 4.12Å; I30-A35 CarbonylContact C-O 3.57Å; I30-A35 WeakPolarHBondContact CA-O 3.33Å; I30-M36 HydrophobicContact CD1-CB 3.82Å; I30-M36 HydrophobicContact CD1-CE 4.22Å; I30-M36 HydrophobicContact CD1-CG 4.03Å
31	S	93.8	Very high	88	Confident	35 Å²	35	100.6 Å²	100.6	25%	0.245	53%	0.526	C	S	.	.			trans	-70.4	164.5	176	81.7	0	0	0	0	111.2	S33 G34 A35	S31-S33 PolarHBondContact O-N 3.38Å; S31-S33 VanDerWaalsContact O-N 3.12Å; S31-S33 PolarHBondContact OG-N 2.92Å; S31-S33 PolarHBondContact OG-OG 3.49Å; S31-G34 PolarHBondContact O-N 2.94Å; S31-G34 PolarHBondContact OG-N 3.42Å; S31-A35 PolarHBondContact N-O 3.03Å; S31-A35 WeakPolarHBondContact OG-CB 3.33Å; S31-A35 PolarHBondContact OG-N 3.16Å
32	K	94.6	Very high	88.8	Confident	226 Å²	226	100.1 Å²	100.1	98%	0.983	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.3	172.5	-66.5	-174	178.8	-177.4	0	113.5	G34	K32-G34 VanDerWaalsContact C-N 3.29Å
33	S	93.6	Very high	89.6	Confident	91 Å²	91	99.3 Å²	99.3	64%	0.636	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	6.4	176.3	68.1	0	0	0	0	113.2	S31	S31-S33 PolarHBondContact O-N 3.38Å; S31-S33 VanDerWaalsContact O-N 3.12Å; S31-S33 PolarHBondContact OG-N 2.92Å; S31-S33 PolarHBondContact OG-OG 3.49Å
34	G	92.1	Very high	90.4	Very high	41 Å²	41	97.8 Å²	97.8	42%	0.423	50%	0.496	S	S	.	.	S	Bend	trans	79.4	12	-179.4	0	0	0	0	0	114.9	S31 K32	S31-G34 PolarHBondContact O-N 2.94Å; S31-G34 PolarHBondContact OG-N 3.42Å; K32-G34 VanDerWaalsContact C-N 3.29Å
35	A	94.4	Very high	91.3	Very high	12 Å²	12	92.3 Å²	92.3	10%	0.099	48%	0.477	C	S	.	.			trans	-76.8	130.1	175.5	0	0	0	0	0	110.2	I30 S31 L47	I30-A35 CarbonylContact C-O 3.57Å; I30-A35 WeakPolarHBondContact CA-O 3.33Å; S31-A35 PolarHBondContact N-O 3.03Å; S31-A35 WeakPolarHBondContact OG-CB 3.33Å; S31-A35 PolarHBondContact OG-N 3.16Å; A35-L47 CarbonylContact C-O 3.53Å; A35-L47 VanDerWaalsContact CA-O 3.26Å; A35-L47 WeakPolarHBondContact CA-O 3.48Å
36	M	95.9	Very high	92	Very high	75 Å²	75	83.8 Å²	83.8	37%	0.369	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.7	169.3	-178.8	-177.6	-70.4	0	0	108.8	F28 I30 S46 L47	F28-M36 HydrophobicContact CB-CG 4.13Å; F28-M36 HydrophobicContact CD2-CE 4.26Å; F28-M36 HydrophobicContact CD2-CG 3.93Å; F28-M36 HydrophobicContact CD2-SD 4.42Å; F28-M36 HydrophobicContact CE2-CE 4.19Å; F28-M36 HydrophobicContact CG-CG 4.2Å; F28-M36 HydrophobicContact CG-SD 4.48Å; I30-M36 HydrophobicContact CD1-CB 3.82Å; I30-M36 HydrophobicContact CD1-CE 4.22Å; I30-M36 HydrophobicContact CD1-CG 4.03Å; M36-S46 CarbonylContact O-C 3.57Å; M36-S46 WeakPolarHBondContact O-CA 3.41Å; M36-L47 PolarHBondContact N-O 2.66Å; M36-L47 PolarHBondContact O-N 3.41Å
37	I	95.5	Very high	92.6	Very high	34 Å²	34	83.4 Å²	83.4	17%	0.174	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.6	-177.2	-55.6	172.9	0	0	0	108.4	F28 V29 T39 K44 M45	F28-I37 CarbonylContact C-O 3.49Å; F28-I37 WeakPolarHBondContact CA-O 3.46Å; F28-I37 WeakPolarHBondContact CB-O 3.3Å; V29-I37 HydrophobicContact CG2-CB 3.87Å; V29-I37 HydrophobicContact CG2-CG2 4.48Å; V29-I37 PolarHBondContact N-O 3.11Å; V29-I37 PolarHBondContact O-N 2.91Å; I37-T39 HydrophobicContact CG2-CG2 4.22Å; I37-K44 HydrophobicContact CG2-CG 4.29Å; I37-M45 CarbonylContact C-O 3.57Å; I37-M45 WeakPolarHBondContact CA-O 3.44Å
38	I	94.2	Very high	92.8	Very high	40 Å²	40	80.1 Å²	80.1	21%	0.205	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132	170.6	-62.6	162.9	0	0	0	106.9	L26 F28 M45	L26-I38 HydrophobicContact CB-CG2 3.74Å; L26-I38 HydrophobicContact CD1-CG2 3.85Å; L26-I38 HydrophobicContact CG-CG2 4.37Å; F28-I38 HydrophobicContact CB-CG1 3.68Å; I38-M45 HydrophobicContact CB-CB 4.34Å; I38-M45 HydrophobicContact CB-CE 4.45Å; I38-M45 HydrophobicContact CG2-CE 4.09Å; I38-M45 PolarHBondContact N-O 2.91Å; I38-M45 PolarHBondContact O-N 3.33Å; I38-M45 VanDerWaalsContact O-O 3.05Å
39	T	88.6	Confident	92.8	Very high	83 Å²	83	79.3 Å²	79.3	51%	0.509	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.9	174	50.1	0	0	0	0	108.1	I37 K44	I37-T39 HydrophobicContact CG2-CG2 4.22Å; T39-K44 HydrophobicContact CG2-CB 4.5Å; T39-K44 HydrophobicContact CG2-CD 4.4Å; T39-K44 HydrophobicContact CG2-CG 4.1Å
40	D	85.4	Confident	92.6	Very high	61 Å²	61	78.6 Å²	78.6	33%	0.326	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	106.8	175	-176.1	13.8	0	0	0	108.3	L26 E42 E43	L26-D40 HydrophobicContact CD2-CB 4.08Å; D40-E42 PolarHBondContact O-N 3.23Å; D40-E43 PolarHBondContact N-O 2.87Å; D40-E43 WeakPolarHBondContact O-CA 3.3Å; D40-E43 PolarHBondContact O-N 2.96Å
41	H	83.8	Confident	92.6	Very high	189 Å²	189	76.9 Å²	76.9	88%	0.875	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.2	-101.1	-176.9	-61.8	-67.6	0	0	0	113.9
42	E	86.1	Confident	92.7	Very high	141 Å²	141	77.3 Å²	77.3	66%	0.659	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.3	-174.9	-61.6	-174.2	159.3	0	0	113.4	D40 I58	D40-E42 PolarHBondContact O-N 3.23Å; E42-I58 HydrophobicContact CB-CD1 3.91Å; E42-I58 HydrophobicContact CB-CG1 3.99Å; E42-I58 HydrophobicContact CG-CD1 3.86Å; E42-I58 HydrophobicContact CG-CG1 4.41Å; E42-I58 WeakPolarHBondContact OE2-CD1 3.36Å
43	E	89.8	Confident	92.8	Very high	87 Å²	87	68.9 Å²	68.9	41%	0.407	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.4	-178.7	-63.1	-170.3	172.8	0	0	112	D40 H55 K56 D57	D40-E43 PolarHBondContact N-O 2.87Å; D40-E43 WeakPolarHBondContact O-CA 3.3Å; D40-E43 PolarHBondContact O-N 2.96Å; E43-H55 IonicContact OE2-NE2 3.57Å; E43-H55 PolarHBondContact OE2-NE2 3.34Å; E43-K56 CarbonylContact C-O 3.46Å; E43-K56 WeakPolarHBondContact CA-O 3.4Å; E43-D57 HydrophobicContact CG-CB 4.35Å
44	K	93.2	Very high	93	Very high	95 Å²	95	65.8 Å²	65.8	41%	0.413	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.8	172.3	-178.3	173.8	-177.8	173.5	0	109.3	I37 T39 K56	I37-K44 HydrophobicContact CG2-CG 4.29Å; T39-K44 HydrophobicContact CG2-CB 4.5Å; T39-K44 HydrophobicContact CG2-CD 4.4Å; T39-K44 HydrophobicContact CG2-CG 4.1Å; K44-K56 PolarHBondContact N-O 3.3Å; K44-K56 PolarHBondContact O-N 3.06Å
45	M	95.2	Very high	93.2	Very high	57 Å²	57	66.1 Å²	66.1	28%	0.281	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	169.1	-68.6	178.8	-81.7	0	0	109.3	L26 I37 I38 T54	L26-M45 HydrophobicContact CD1-CE 4.38Å; I37-M45 CarbonylContact C-O 3.57Å; I37-M45 WeakPolarHBondContact CA-O 3.44Å; I38-M45 HydrophobicContact CB-CB 4.34Å; I38-M45 HydrophobicContact CB-CE 4.45Å; I38-M45 HydrophobicContact CG2-CE 4.09Å; I38-M45 PolarHBondContact N-O 2.91Å; I38-M45 PolarHBondContact O-N 3.33Å; I38-M45 VanDerWaalsContact O-O 3.05Å; M45-T54 CarbonylContact C-O 3.51Å; M45-T54 WeakPolarHBondContact CA-O 3.48Å
46	S	96.4	Very high	93.2	Very high	26 Å²	26	70.5 Å²	70.5	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.8	169.4	65	0	0	0	0	111.3	M36 L53 T54	M36-S46 CarbonylContact O-C 3.57Å; M36-S46 WeakPolarHBondContact O-CA 3.41Å; S46-L53 CarbonylContact O-C 3.57Å; S46-T54 PolarHBondContact N-O 3.23Å; S46-T54 PolarHBondContact O-N 2.82Å
47	L	96.5	Very high	93	Very high	55 Å²	55	69 Å²	69	29%	0.288	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.3	171.5	-175.2	66.2	0	0	0	108.5	A35 M36 L51 L53	A35-L47 CarbonylContact C-O 3.53Å; A35-L47 VanDerWaalsContact CA-O 3.26Å; A35-L47 WeakPolarHBondContact CA-O 3.48Å; M36-L47 PolarHBondContact N-O 2.66Å; M36-L47 PolarHBondContact O-N 3.41Å; L47-L51 HydrophobicContact CD1-CB 4.48Å; L47-L51 HydrophobicContact CD2-CD2 4.39Å; L47-L53 HydrophobicContact CD1-CB 4.11Å
48	S	95.3	Very high	92.8	Very high	28 Å²	28	71.7 Å²	71.7	20%	0.196	37%	0.371	C	S	.	.			trans	-75.9	170.1	177.5	60.4	0	0	0	0	112.4	D50 L51 L52	S48-D50 WeakPolarHBondContact CB-OD1 3.21Å; S48-D50 PolarHBondContact O-N 2.96Å; S48-D50 PolarHBondContact OG-OD1 2.94Å; S48-L51 WeakPolarHBondContact O-CA 3.33Å; S48-L51 PolarHBondContact O-N 2.89Å; S48-L52 PolarHBondContact N-O 2.96Å; S48-L52 WeakPolarHBondContact OG-CA 3.07Å; S48-L52 VanDerWaalsContact OG-CB 3.24Å; S48-L52 WeakPolarHBondContact OG-CB 3.32Å; S48-L52 PolarHBondContact OG-N 3.28Å; S48-L52 PolarHBondContact OG-O 3.01Å
49	S	92.8	Very high	92.7	Very high	99 Å²	99	74.4 Å²	74.4	69%	0.692	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.1	176.1	57.6	0	0	0	0	113.7	L51	S49-L51 PolarHBondContact O-N 3.49Å
50	D	92.5	Very high	92.9	Very high	77 Å²	77	71.4 Å²	71.4	41%	0.412	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	11.1	173.4	70.8	-45.9	0	0	0	113.3	S48 L52 K67	S48-D50 WeakPolarHBondContact CB-OD1 3.21Å; S48-D50 PolarHBondContact O-N 2.96Å; S48-D50 PolarHBondContact OG-OD1 2.94Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.22Å; D50-K67 VanDerWaalsContact O-CG 3.32Å; D50-K67 WeakPolarHBondContact O-CG 3.16Å
51	L	94.7	Very high	93.5	Very high	63 Å²	63	70.2 Å²	70.2	33%	0.33	36%	0.363	S	S	.	.			trans	63.8	31.9	179.2	-50.5	175.1	0	0	0	113.4	L47 S48 S49 L53 L66 R68	L47-L51 HydrophobicContact CD1-CB 4.48Å; L47-L51 HydrophobicContact CD2-CD2 4.39Å; S48-L51 WeakPolarHBondContact O-CA 3.33Å; S48-L51 PolarHBondContact O-N 2.89Å; S49-L51 PolarHBondContact O-N 3.49Å; L51-L53 PolarHBondContact O-N 3.42Å; L51-L66 HydrophobicContact CB-CB 4.34Å; L51-L66 WeakPolarHBondContact CB-O 3.25Å; L51-L66 WeakPolarHBondContact CD1-O 3.5Å; L51-L66 CarbonylContact O-C 3.55Å; L51-L66 WeakPolarHBondContact O-CA 3.46Å; L51-L66 VanDerWaalsContact O-CB 3.25Å; L51-L66 WeakPolarHBondContact O-CB 3.21Å; L51-L66 PolarHBondContact O-N 2.88Å; L51-R68 HydrophobicContact CD1-CG 4.41Å
52	L	96.1	Very high	94.1	Very high	43 Å²	43	62.3 Å²	62.3	23%	0.225	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	107.7	167.9	-173	70.1	0	0	0	108.6	S48 D50 T54 K63 D65	S48-L52 PolarHBondContact N-O 2.96Å; S48-L52 WeakPolarHBondContact OG-CA 3.07Å; S48-L52 VanDerWaalsContact OG-CB 3.24Å; S48-L52 WeakPolarHBondContact OG-CB 3.32Å; S48-L52 PolarHBondContact OG-N 3.28Å; S48-L52 PolarHBondContact OG-O 3.01Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.22Å; L52-T54 PolarHBondContact O-N 3.47Å; L52-K63 HydrophobicContact CD1-CB 4.33Å; L52-K63 HydrophobicContact CD2-CD 4.43Å; L52-D65 HydrophobicContact CD1-CB 4.39Å
53	L	97	Very high	94.6	Very high	50 Å²	50	59.8 Å²	59.8	26%	0.262	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.5	172.1	179.7	66.3	0	0	0	108.5	S46 L47 L51 K63 I64 L66	S46-L53 CarbonylContact O-C 3.57Å; L47-L53 HydrophobicContact CD1-CB 4.11Å; L51-L53 PolarHBondContact O-N 3.42Å; L53-K63 CarbonylContact O-C 3.57Å; L53-K63 VanDerWaalsContact O-CA 3.26Å; L53-K63 WeakPolarHBondContact O-CA 3.09Å; L53-I64 PolarHBondContact N-O 3.19Å; L53-I64 PolarHBondContact O-N 2.95Å; L53-L66 HydrophobicContact CB-CD1 3.78Å; L53-L66 HydrophobicContact CB-CG 4.29Å; L53-L66 HydrophobicContact CD2-CD1 4.12Å
54	T	96.9	Very high	94.9	Very high	26 Å²	26	58 Å²	58	16%	0.16	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.6	169.4	-57.7	0	0	0	0	108.2	M45 S46 L52 T61 T62 K63	M45-T54 CarbonylContact C-O 3.51Å; M45-T54 WeakPolarHBondContact CA-O 3.48Å; S46-T54 PolarHBondContact N-O 3.23Å; S46-T54 PolarHBondContact O-N 2.82Å; L52-T54 PolarHBondContact O-N 3.47Å; T54-T61 HydrophobicContact CG2-CG2 3.88Å; T54-T62 CarbonylContact C-O 3.57Å; T54-T62 WeakPolarHBondContact CA-O 3.12Å; T54-K63 HydrophobicContact CG2-CG 4.13Å
55	H	96.1	Very high	95	Very high	48 Å²	48	55.2 Å²	55.2	22%	0.222	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.3	167.3	179.5	-127.4	0	0	0	108.3	E43 T61 T62	E43-H55 IonicContact OE2-NE2 3.57Å; E43-H55 PolarHBondContact OE2-NE2 3.34Å; H55-T61 CarbonylContact O-C 3.51Å; H55-T61 WeakPolarHBondContact O-CA 3.29Å; H55-T62 PolarHBondContact N-O 3.44Å; H55-T62 PolarHBondContact O-N 2.89Å
56	K	94.7	Very high	95	Very high	103 Å²	103	56.2 Å²	56.2	45%	0.448	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.1	179.1	177.6	179.7	179	-170.5	0	108.9	E43 K44 C60	E43-K56 CarbonylContact C-O 3.46Å; E43-K56 WeakPolarHBondContact CA-O 3.4Å; K44-K56 PolarHBondContact N-O 3.3Å; K44-K56 PolarHBondContact O-N 3.06Å; K56-C60 WeakPolarHBondContact CA-O 3.3Å
57	D	92.5	Very high	94.9	Very high	43 Å²	43	59.7 Å²	59.7	23%	0.23	32%	0.315	C	S	.	.			trans	-108	-168.8	167.8	63.7	56.9	0	0	0	109.6	E43 L59 C60	E43-D57 HydrophobicContact CG-CB 4.35Å; D57-L59 VanDerWaalsContact C-N 3.29Å; D57-L59 PolarHBondContact O-N 2.88Å; D57-L59 WeakPolarHBondContact OD1-CA 3.26Å; D57-L59 PolarHBondContact OD1-N 3Å; D57-C60 PolarHBondContact N-O 2.82Å; D57-C60 PolarHBondContact OD1-N 2.95Å
58	I	90.8	Very high	94.7	Very high	91 Å²	91	67.3 Å²	67.3	47%	0.467	34%	0.339	S	S	.	.	S	Bend	trans	-59.5	-40.4	179.9	-69.4	175.7	0	0	0	112.4	E42	E42-I58 HydrophobicContact CB-CD1 3.91Å; E42-I58 HydrophobicContact CB-CG1 3.99Å; E42-I58 HydrophobicContact CG-CD1 3.86Å; E42-I58 HydrophobicContact CG-CG1 4.41Å; E42-I58 WeakPolarHBondContact OE2-CD1 3.36Å
59	L	91.6	Very high	94.7	Very high	98 Å²	98	69.4 Å²	69.4	51%	0.513	35%	0.353	S	S	.	.	S	Bend	trans	-99.3	-40.9	-169.4	-62.1	178	0	0	0	111.2	D57 C87 K88	D57-L59 VanDerWaalsContact C-N 3.29Å; D57-L59 PolarHBondContact O-N 2.88Å; D57-L59 WeakPolarHBondContact OD1-CA 3.26Å; D57-L59 PolarHBondContact OD1-N 3Å; L59-C87 CarbonylContact O-C 3.51Å; L59-C87 VanDerWaalsContact O-CA 3.31Å; L59-C87 WeakPolarHBondContact O-CA 3.38Å; L59-K88 PolarHBondContact O-N 3.46Å
60	C	94.2	Very high	94.8	Very high	19 Å²	19	68.5 Å²	68.5	13%	0.128	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.9	-164.9	-62.8	0	0	0	0	112.4	K56 D57 H86 C87	K56-C60 WeakPolarHBondContact CA-O 3.3Å; D57-C60 PolarHBondContact N-O 2.82Å; D57-C60 PolarHBondContact OD1-N 2.95Å; C60-H86 CarbonylContact C-O 3.49Å; C60-H86 WeakPolarHBondContact CA-O 3.31Å; C60-C87 HydrophobicContact CB-CB 4.16Å; C60-C87 WeakPolarHBondContact CB-SG 3.07Å; C60-C87 WeakPolarHBondContact SG-CB 3.1Å; C60-C87 CovalentContact SG-SG 2.04Å; C60-C87 PolarHBondContact SG-SG 3.36Å
61	T	96.2	Very high	95.1	Very high	37 Å²	37	73.1 Å²	73.1	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.3	164.1	-60.8	0	0	0	0	107.8	T54 H55 K63 Q85 H86	T54-T61 HydrophobicContact CG2-CG2 3.88Å; H55-T61 CarbonylContact O-C 3.51Å; H55-T61 WeakPolarHBondContact O-CA 3.29Å; T61-K63 HydrophobicContact CG2-CG 4.48Å; T61-Q85 CarbonylContact O-C 3.58Å; T61-Q85 WeakPolarHBondContact O-CA 3.2Å; T61-H86 PolarHBondContact N-O 2.47Å; T61-H86 PolarHBondContact O-N 2.75Å
62	T	96.7	Very high	95.2	Very high	22 Å²	22	73.5 Å²	73.5	14%	0.135	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.8	176.6	-58.9	0	0	0	0	109.1	T54 H55 I64 V83 F84	T54-T62 CarbonylContact C-O 3.57Å; T54-T62 WeakPolarHBondContact CA-O 3.12Å; H55-T62 PolarHBondContact N-O 3.44Å; H55-T62 PolarHBondContact O-N 2.89Å; T62-I64 HydrophobicContact CG2-CD1 4.46Å; T62-I64 HydrophobicContact CG2-CG1 4.13Å; T62-V83 HydrophobicContact CG2-CG1 3.88Å; T62-F84 CarbonylContact C-O 3.51Å; T62-F84 WeakPolarHBondContact CA-O 3.42Å
63	K	97.3	Very high	95.3	Very high	88 Å²	88	73.1 Å²	73.1	38%	0.383	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.5	175.1	-59.5	-177.7	177.6	-179.2	0	109.7	L52 L53 T54 T61 V83 F84	L52-K63 HydrophobicContact CD1-CB 4.33Å; L52-K63 HydrophobicContact CD2-CD 4.43Å; L53-K63 CarbonylContact O-C 3.57Å; L53-K63 VanDerWaalsContact O-CA 3.26Å; L53-K63 WeakPolarHBondContact O-CA 3.09Å; T54-K63 HydrophobicContact CG2-CG 4.13Å; T61-K63 HydrophobicContact CG2-CG 4.48Å; K63-V83 CarbonylContact O-C 3.57Å; K63-V83 WeakPolarHBondContact O-CA 3.24Å; K63-F84 HydrophobicContact CB-CB 4.31Å; K63-F84 PolarHBondContact N-O 2.86Å; K63-F84 PolarHBondContact O-N 3.3Å
64	I	96.8	Very high	95.3	Very high	50 Å²	50	75.9 Å²	75.9	26%	0.256	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.7	179.1	-50.6	179.5	0	0	0	108.2	L53 T62 L66 R81 V83	L53-I64 PolarHBondContact N-O 3.19Å; L53-I64 PolarHBondContact O-N 2.95Å; T62-I64 HydrophobicContact CG2-CD1 4.46Å; T62-I64 HydrophobicContact CG2-CG1 4.13Å; I64-L66 HydrophobicContact CB-CD2 4.47Å; I64-L66 HydrophobicContact CG2-CD2 3.64Å; I64-L66 HydrophobicContact CG2-CG 4.22Å; I64-L66 PolarHBondContact O-N 2.82Å; I64-R81 HydrophobicContact CG2-CB 4.43Å; I64-V83 HydrophobicContact CG1-CG1 4.3Å; I64-V83 HydrophobicContact CG1-CG2 4.27Å; I64-V83 HydrophobicContact CG2-CG2 4.38Å
65	D	95	Very high	95.4	Very high	36 Å²	36	83.7 Å²	83.7	19%	0.193	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	108.6	173.1	-172.7	-19.4	0	0	0	109.3	L52 K67 R81 K82	L52-D65 HydrophobicContact CD1-CB 4.39Å; D65-K67 WeakPolarHBondContact OD1-CB 3.37Å; D65-K67 VanDerWaalsContact OD1-CD 3.3Å; D65-K67 WeakPolarHBondContact OD1-CD 3.36Å; D65-K67 WeakPolarHBondContact OD1-CG 3.26Å; D65-K67 PolarHBondContact OD1-N 3.49Å; D65-K67 IonicContact OD2-NZ 2.96Å; D65-R81 VanDerWaalsContact O-CB 3.29Å; D65-R81 WeakPolarHBondContact O-CB 3.44Å; D65-R81 WeakPolarHBondContact O-CD 3.34Å; D65-R81 WeakPolarHBondContact O-CG 3.08Å; D65-K82 PolarHBondContact N-O 2.83Å
66	L	94.2	Very high	95.5	Very high	78 Å²	78	84.4 Å²	84.4	41%	0.408	43%	0.431	S	S	.	.			trans	-106.7	28.8	177	-55.4	178.7	0	0	0	112.1	L51 L53 I64	L51-L66 HydrophobicContact CB-CB 4.34Å; L51-L66 WeakPolarHBondContact CB-O 3.25Å; L51-L66 WeakPolarHBondContact CD1-O 3.5Å; L51-L66 CarbonylContact O-C 3.55Å; L51-L66 WeakPolarHBondContact O-CA 3.46Å; L51-L66 VanDerWaalsContact O-CB 3.25Å; L51-L66 WeakPolarHBondContact O-CB 3.21Å; L51-L66 PolarHBondContact O-N 2.88Å; L53-L66 HydrophobicContact CB-CD1 3.78Å; L53-L66 HydrophobicContact CB-CG 4.29Å; L53-L66 HydrophobicContact CD2-CD1 4.12Å; I64-L66 HydrophobicContact CB-CD2 4.47Å; I64-L66 HydrophobicContact CG2-CD2 3.64Å; I64-L66 HydrophobicContact CG2-CG 4.22Å; I64-L66 PolarHBondContact O-N 2.82Å
67	K	94.4	Very high	95.5	Very high	99 Å²	99	89 Å²	89	43%	0.43	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-50.2	157.7	171.9	-79.9	168.6	-169.3	162.9	0	111.7	D50 D65 R81	D50-K67 VanDerWaalsContact O-CG 3.32Å; D50-K67 WeakPolarHBondContact O-CG 3.16Å; D65-K67 WeakPolarHBondContact OD1-CB 3.37Å; D65-K67 VanDerWaalsContact OD1-CD 3.3Å; D65-K67 WeakPolarHBondContact OD1-CD 3.36Å; D65-K67 WeakPolarHBondContact OD1-CG 3.26Å; D65-K67 PolarHBondContact OD1-N 3.49Å; D65-K67 IonicContact OD2-NZ 2.96Å; K67-R81 VanDerWaalsContact O-CZ 3.3Å; K67-R81 PolarHBondContact O-NH2 2.77Å
68	R	92.8	Very high	95.7	Very high	215 Å²	215	90.8 Å²	90.8	81%	0.811	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-57.5	142.6	174.9	-67.3	-173.8	179.8	-176.5	0.3	110.3	L51	L51-R68 HydrophobicContact CD1-CG 4.41Å
69	P	95.3	Very high	95.8	Very high	73 Å²	73	89.1 Å²	89.1	47%	0.474	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56.5	142.8	173.5	-25	35	0	0	0	112.4	E73 I74	P69-E73 VanDerWaalsContact CA-OE2 3.3Å; P69-E73 WeakPolarHBondContact CA-OE2 3.36Å; P69-E73 HydrophobicContact CB-CB 4.07Å; P69-I74 HydrophobicContact CB-CD1 4.46Å; P69-I74 HydrophobicContact CB-CG1 3.81Å
70	T	95.5	Very high	96	Very high	79 Å²	79	93.8 Å²	93.8	49%	0.485	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-72.4	162.7	168.6	64	0	0	0	0	110.8	A72 E73 I74	T70-A72 PolarHBondContact O-N 2.8Å; T70-E73 PolarHBondContact N-OE2 2.83Å; T70-E73 PolarHBondContact O-N 2.8Å; T70-E73 WeakPolarHBondContact OG1-CG 3.33Å; T70-E73 PolarHBondContact OG1-N 2.81Å; T70-E73 PolarHBondContact OG1-OE2 2.86Å; T70-I74 WeakPolarHBondContact O-CG1 3.45Å; T70-I74 PolarHBondContact O-N 2.9Å
71	E	97.7	Very high	95.9	Very high	174 Å²	174	97 Å²	97	81%	0.813	50%	0.497	S	S	*	.	H	α-helix	trans	-56.1	-37.6	176.7	-65.6	-179.8	178.2	0	0	112.9	I74 K75	E71-I74 PolarHBondContact O-N 2.86Å; E71-K75 WeakPolarHBondContact O-CB 3.35Å; E71-K75 PolarHBondContact O-N 2.96Å
72	A	97.6	Very high	95.8	Very high	71 Å²	71	102.1 Å²	102.1	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-43.3	175.8	0	0	0	0	0	111.9	T70 K75 A76	T70-A72 PolarHBondContact O-N 2.8Å; A72-K75 PolarHBondContact O-N 2.77Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 2.77Å
73	E	97.8	Very high	95.7	Very high	35 Å²	35	105.3 Å²	105.3	16%	0.164	54%	0.536	C	S	.	.	H	α-helix	trans	-65	-39.4	175.8	-70	175.2	135	0	0	111.7	P69 T70 A76 K77 S78 R81	P69-E73 VanDerWaalsContact CA-OE2 3.3Å; P69-E73 WeakPolarHBondContact CA-OE2 3.36Å; P69-E73 HydrophobicContact CB-CB 4.07Å; T70-E73 PolarHBondContact N-OE2 2.83Å; T70-E73 PolarHBondContact O-N 2.8Å; T70-E73 WeakPolarHBondContact OG1-CG 3.33Å; T70-E73 PolarHBondContact OG1-N 2.81Å; T70-E73 PolarHBondContact OG1-OE2 2.86Å; E73-A76 CarbonylContact O-C 3.6Å; E73-A76 PolarHBondContact O-N 3.2Å; E73-K77 WeakPolarHBondContact O-CA 3.4Å; E73-K77 PolarHBondContact O-N 2.85Å; E73-S78 WeakPolarHBondContact CA-O 3.44Å; E73-S78 PolarHBondContact O-N 3.4Å; E73-S78 VanDerWaalsContact O-N 3.16Å; E73-R81 IonicContact OE1-CZ 3.92Å; E73-R81 IonicContact OE1-NH1 3.47Å; E73-R81 PolarHBondContact OE1-NH1 2.75Å; E73-R81 IonicContact OE2-CZ 3.77Å; E73-R81 IonicContact OE2-NH1 3.01Å; E73-R81 PolarHBondContact OE2-NH1 2.85Å; E73-R81 IonicContact OE2-NH2 3.73Å
74	I	97.9	Very high	95.6	Very high	108 Å²	108	106.8 Å²	106.8	55%	0.554	54%	0.542	S	S	*	.	H	α-helix	trans	-62	-47.6	175.8	-65.3	168.2	0	0	0	110.1	P69 T70 E71 A76 K77	P69-I74 HydrophobicContact CB-CD1 4.46Å; P69-I74 HydrophobicContact CB-CG1 3.81Å; T70-I74 WeakPolarHBondContact O-CG1 3.45Å; T70-I74 PolarHBondContact O-N 2.9Å; E71-I74 PolarHBondContact O-N 2.86Å; I74-A76 PolarHBondContact O-N 2.78Å; I74-K77 PolarHBondContact O-N 2.77Å; I74-K77 VanDerWaalsContact O-N 3.11Å
75	K	98.1	Very high	95.5	Very high	191 Å²	191	110.1 Å²	110.1	83%	0.83	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-41.1	178.7	-174.8	178	179.2	179.7	0	112.2	E71 A72 K77	E71-K75 WeakPolarHBondContact O-CB 3.35Å; E71-K75 PolarHBondContact O-N 2.96Å; A72-K75 PolarHBondContact O-N 2.77Å; K75-K77 PolarHBondContact O-N 2.71Å
76	A	97.7	Very high	95.5	Very high	62 Å²	62	114.6 Å²	114.6	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-76.3	-8.6	176.8	0	0	0	0	0	113.3	A72 E73 I74 S78	A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 2.77Å; E73-A76 CarbonylContact O-C 3.6Å; E73-A76 PolarHBondContact O-N 3.2Å; I74-A76 PolarHBondContact O-N 2.78Å; A76-S78 PolarHBondContact O-N 2.79Å; A76-S78 PolarHBondContact O-OG 3.12Å
77	K	96	Very high	95.5	Very high	201 Å²	201	111.9 Å²	111.9	87%	0.874	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.5	27.3	-171.7	-59	-176.9	177.4	-179.6	0	113.1	E73 I74 K75	E73-K77 WeakPolarHBondContact O-CA 3.4Å; E73-K77 PolarHBondContact O-N 2.85Å; I74-K77 PolarHBondContact O-N 2.77Å; I74-K77 VanDerWaalsContact O-N 3.11Å; K75-K77 PolarHBondContact O-N 2.71Å
78	S	96.1	Very high	95	Very high	79 Å²	79	113.6 Å²	113.6	55%	0.552	57%	0.571	S	S	*	*			trans	-162.4	158.3	-172.4	58	0	0	0	0	110.3	E73 A76	E73-S78 WeakPolarHBondContact CA-O 3.44Å; E73-S78 PolarHBondContact O-N 3.4Å; E73-S78 VanDerWaalsContact O-N 3.16Å; A76-S78 PolarHBondContact O-N 2.79Å; A76-S78 PolarHBondContact O-OG 3.12Å
79	G	94.1	Very high	94.1	Very high	56 Å²	56	110.2 Å²	110.2	58%	0.577	57%	0.569	S	S	*	*			trans	-173	-178.2	-177.8	0	0	0	0	0	111
80	K	94.4	Very high	92.2	Very high	196 Å²	196	113.6 Å²	113.6	85%	0.852	58%	0.579	S	S	*	*			trans	-131.7	135.7	175.9	-66.7	-176	-178.2	-178.9	0	109.2
81	R	93.3	Very high	90	Very high	87 Å²	87	115.2 Å²	115.2	33%	0.328	59%	0.589	S	S	.	*			trans	-103.3	148.9	172.1	-62.4	-50.5	-168.9	-149.9	-2	110.3	I64 D65 K67 E73	I64-R81 HydrophobicContact CG2-CB 4.43Å; D65-R81 VanDerWaalsContact O-CB 3.29Å; D65-R81 WeakPolarHBondContact O-CB 3.44Å; D65-R81 WeakPolarHBondContact O-CD 3.34Å; D65-R81 WeakPolarHBondContact O-CG 3.08Å; K67-R81 VanDerWaalsContact O-CZ 3.3Å; K67-R81 PolarHBondContact O-NH2 2.77Å; E73-R81 IonicContact OE1-CZ 3.92Å; E73-R81 IonicContact OE1-NH1 3.47Å; E73-R81 PolarHBondContact OE1-NH1 2.75Å; E73-R81 IonicContact OE2-CZ 3.77Å; E73-R81 IonicContact OE2-NH1 3.01Å; E73-R81 PolarHBondContact OE2-NH1 2.85Å; E73-R81 IonicContact OE2-NH2 3.73Å
82	K	93.2	Very high	87.5	Confident	145 Å²	145	116.8 Å²	116.8	63%	0.63	59%	0.593	S	S	*	*			trans	-80.1	128.7	174.2	-65.2	-177.1	-177.4	176.9	0	108.5	D65 F84	D65-K82 PolarHBondContact N-O 2.83Å; K82-F84 HydrophobicContact CB-CD2 4.37Å; K82-F84 HydrophobicContact CB-CE2 3.58Å; K82-F84 HydrophobicContact CB-CZ 3.87Å; K82-F84 HydrophobicContact CD-CE2 4.3Å; K82-F84 HydrophobicContact CD-CZ 3.86Å; K82-F84 HydrophobicContact CG-CZ 4.47Å
83	V	94.2	Very high	84.8	Confident	88 Å²	88	121 Å²	121	53%	0.533	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	125.1	171.7	-177.1	0	0	0	0	107.1	T62 K63 I64	T62-V83 HydrophobicContact CG2-CG1 3.88Å; K63-V83 CarbonylContact O-C 3.57Å; K63-V83 WeakPolarHBondContact O-CA 3.24Å; I64-V83 HydrophobicContact CG1-CG1 4.3Å; I64-V83 HydrophobicContact CG1-CG2 4.27Å; I64-V83 HydrophobicContact CG2-CG2 4.38Å
84	F	95.1	Very high	81.9	Confident	119 Å²	119	126.6 Å²	126.6	52%	0.522	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.5	117.9	174.6	-55.8	-89.6	0	0	0	108	T62 K63 K82	T62-F84 CarbonylContact C-O 3.51Å; T62-F84 WeakPolarHBondContact CA-O 3.42Å; K63-F84 HydrophobicContact CB-CB 4.31Å; K63-F84 PolarHBondContact N-O 2.86Å; K63-F84 PolarHBondContact O-N 3.3Å; K82-F84 HydrophobicContact CB-CD2 4.37Å; K82-F84 HydrophobicContact CB-CE2 3.58Å; K82-F84 HydrophobicContact CB-CZ 3.87Å; K82-F84 HydrophobicContact CD-CE2 4.3Å; K82-F84 HydrophobicContact CD-CZ 3.86Å; K82-F84 HydrophobicContact CG-CZ 4.47Å
85	Q	95.4	Very high	79	Confident	120 Å²	120	131 Å²	131	56%	0.561	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.2	137	177.9	-170.2	170	26.6	0	0	109.1	T61	T61-Q85 CarbonylContact O-C 3.58Å; T61-Q85 WeakPolarHBondContact O-CA 3.2Å
86	H	94.8	Very high	76.4	Confident	131 Å²	131	126.4 Å²	126.4	61%	0.606	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.6	114.4	174	-178.7	64.4	0	0	0	109.1	C60 T61	C60-H86 CarbonylContact C-O 3.49Å; C60-H86 WeakPolarHBondContact CA-O 3.31Å; T61-H86 PolarHBondContact N-O 2.47Å; T61-H86 PolarHBondContact O-N 2.75Å
87	C	94.3	Very high	73.7	Confident	21 Å²	21	135 Å²	135	14%	0.142	65%	0.654	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.9	136.5	179.9	-61.5	0	0	0	0	111.2	L59 C60 N89 E90	L59-C87 CarbonylContact O-C 3.51Å; L59-C87 VanDerWaalsContact O-CA 3.31Å; L59-C87 WeakPolarHBondContact O-CA 3.38Å; C60-C87 HydrophobicContact CB-CB 4.16Å; C60-C87 WeakPolarHBondContact CB-SG 3.07Å; C60-C87 WeakPolarHBondContact SG-CB 3.1Å; C60-C87 CovalentContact SG-SG 2.04Å; C60-C87 PolarHBondContact SG-SG 3.36Å; C87-N89 PolarHBondContact O-N 3.44Å; C87-E90 PolarHBondContact O-N 2.04Å
88	K	83.3	Confident	71.2	Confident	134 Å²	134	135 Å²	135	58%	0.583	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	124.5	168.6	-64.5	175.7	-177.1	167.5	0	107.3	L59	L59-K88 PolarHBondContact O-N 3.46Å
89	N	73.3	Confident	68.6	Low	144 Å²	144	140 Å²	140	77%	0.77	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.2	15.5	-176.1	-52.6	-18	0	0	0	117.7	C87 T91	C87-N89 PolarHBondContact O-N 3.44Å; N89-T91 PolarHBondContact O-N 3.23Å; N89-T91 PolarHBondContact O-OG1 2.75Å
90	E	57.2	Low	66.4	Low	145 Å²	145	143.6 Å²	143.6	68%	0.678	68%	0.679	S	S	*	*			trans	-67.8	78.1	154.1	-75.7	-173.8	-172.2	0	0	110	C87 K92	C87-E90 PolarHBondContact O-N 2.04Å; E90-K92 PolarHBondContact O-N 3.08Å; E90-K92 VanDerWaalsContact O-N 3.08Å
91	T	48.5	Very low	63.9	Low	113 Å²	113	139.6 Å²	139.6	69%	0.693	67%	0.673	S	S	*	*			trans	-71.7	97.6	172.9	-42.8	0	0	0	0	107.1	N89 I93	N89-T91 PolarHBondContact O-N 3.23Å; N89-T91 PolarHBondContact O-OG1 2.75Å; T91-I93 PolarHBondContact O-N 3.35Å
92	K	45.1	Very low	61.9	Low	206 Å²	206	145.4 Å²	145.4	90%	0.896	70%	0.701	S	S	*	*			trans	22.1	90.1	161.3	-62	-180	-178.1	178.4	0	115.6	E90	E90-K92 PolarHBondContact O-N 3.08Å; E90-K92 VanDerWaalsContact O-N 3.08Å
93	I	41	Very low	59.9	Low	159 Å²	159	147.6 Å²	147.6	82%	0.815	71%	0.71	S	S	*	*			trans	-110.8	135.5	157.8	-57.1	178.4	0	0	0	107.8	T91	T91-I93 PolarHBondContact O-N 3.35Å
94	E	37	Very low	57.6	Low	154 Å²	154	148.8 Å²	148.8	72%	0.72	72%	0.722	S	S	*	*			trans	87	115.5	176.3	-75	-163.1	119.8	0	0	119.8	P96	E94-P96 WeakPolarHBondContact OE1-CD 3.44Å
95	K	37.3	Very low	55.6	Low	201 Å²	201	149.6 Å²	149.6	87%	0.874	74%	0.737	S	S	*	*				-139.8	129.1	84.5	-91	173.6	-178	173.8	0	111
96	P	43.5	Very low	52.9	Low	93 Å²	93	153.7 Å²	153.7	60%	0.604	75%	0.753	S	S	*	*			trans	-64.8	134.8	167.6	-12.1	26.4	0	0	0	109.3	E94 K98	E94-P96 WeakPolarHBondContact OE1-CD 3.44Å; P96-K98 PolarHBondContact O-N 3.32Å
97	R	40.9	Very low	51	Low	244 Å²	244	160.5 Å²	160.5	92%	0.921	78%	0.781	S	S	*	*			trans	-55.7	111.2	167.5	-94.4	-176.8	177.4	-176.8	-0.6	108.1	E99	R97-E99 PolarHBondContact O-N 3.4Å
98	K	44.1	Very low	48.9	Very low	200 Å²	200	167.5 Å²	167.5	87%	0.87	81%	0.813	S	S	*	*			trans	-66.4	113.2	161.2	-70.8	-172.4	177.4	-174.9	0	107.1	P96 V100	P96-K98 PolarHBondContact O-N 3.32Å; K98-V100 PolarHBondContact O-N 3.02Å
99	E	39.5	Very low	47.1	Very low	184 Å²	184	169.3 Å²	169.3	86%	0.86	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-56.4	129.2	169.2	-69.5	-176.5	150.1	0	0	109.5	R97 P101	R97-E99 PolarHBondContact O-N 3.4Å; E99-P101 WeakPolarHBondContact O-CD 3.38Å
100	V	49.6	Very low	45.6	Very low	131 Å²	131	170.7 Å²	170.7	79%	0.794	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73	120.2	175.7	176	0	0	0	0	107.8	K98 K102	K98-V100 PolarHBondContact O-N 3.02Å; V100-K102 PolarHBondContact O-N 3.24Å
101	P	40.2	Very low	44.9	Very low	113 Å²	113	172.2 Å²	172.2	73%	0.734	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-68.4	120.5	177.3	23.7	-28.5	0	0	0	109.9	E99 K103	E99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-K103 PolarHBondContact O-N 3.19Å
102	K	52.8	Low	44.7	Very low	209 Å²	209	175.9 Å²	175.9	91%	0.909	85%	0.846	S	S	*	*			trans	-62.8	104.5	167	-76.6	-179	179.8	178.2	0	108.2	V100 S104	V100-K102 PolarHBondContact O-N 3.24Å; K102-S104 PolarHBondContact O-N 3.21Å
103	K	51.6	Low	44.7	Very low	190 Å²	190	173.9 Å²	173.9	83%	0.826	84%	0.842	S	S	*	*			trans	-56.6	119.1	169.7	-78.6	-178.7	175.4	179.2	0	109.2	P101 V105	P101-K103 PolarHBondContact O-N 3.19Å; K103-V105 PolarHBondContact O-N 3.02Å
104	S	45.4	Very low	44.9	Very low	113 Å²	113	174.9 Å²	174.9	79%	0.79	84%	0.844	S	S	*	*			trans	-61.2	107.7	159.5	50	0	0	0	0	108.8	K102 K106	K102-S104 PolarHBondContact O-N 3.21Å; S104-K106 PolarHBondContact O-N 3.19Å
105	V	52.8	Low	45.6	Very low	137 Å²	137	176.5 Å²	176.5	83%	0.83	85%	0.854	S	S	*	*			trans	-78.6	106	168.5	177	0	0	0	0	107.1	K103	K103-V105 PolarHBondContact O-N 3.02Å
106	K	39.1	Very low	46.2	Very low	205 Å²	205	174.5 Å²	174.5	89%	0.891	85%	0.852	S	S	*	*			trans	-79.9	121.3	160.7	-89.3	-177.4	173.5	-178.8	0	108.2	S104	S104-K106 PolarHBondContact O-N 3.19Å
107	K	55.3	Low	46.5	Very low	275 Å²	275	181.9 Å²	181.9	100%	1.196	88%	0.875	S	S	*	*			trans	-150.9	0	140.5	-149.9	177.4	-174.2	-177.6	0	108.9

Retrieved 107 of 107 residues in 59.5 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).