A0A3Q7K6P6_SCHMA Loading...

Smp_201260

AlphaFold DB , UniProt , Accession A0A3Q7K6P6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 aa.

						>A0A3Q7K6P6_SCHMA|A0A3Q7K6P6
MLKYHIHTNVFCQALFHLPTFDFLELCSIYQAQNLCSCSESHFISFNGVIHLKLCRYKSSNFTEVDNCRDIEHPCDPDGTYV
					

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	29.8	Very low	29.3	Very low	231 Å²	231	106.7 Å²	106.7	100%	1.138	53%	0.534	S	S	*	.				0	124.3	0	-79.6	177	-173	0	0	108
2	L	27.8	Very low	28.8	Very low	71 Å²	71	104.5 Å²	104.5	37%	0.372	53%	0.534	S	S	.	.			trans	-76.8	139.6	170.4	-86.5	98.6	0	0	0	109.2	Y4 R56	L2-Y4 HydrophobicContact CB-CE2 3.96Å; L2-R56 HydrophobicContact CD2-CG 4.19Å
3	K	29.5	Very low	28.3	Very low	108 Å²	108	111.2 Å²	111.2	47%	0.47	56%	0.562	S	S	.	*			trans	-117	142	173.8	-67.8	-170	176.3	-177.4	0	108.6	S37 F62	K3-S37 VanDerWaalsContact CA-OG 3.28Å; K3-S37 WeakPolarHBondContact CA-OG 3.19Å; K3-S37 VanDerWaalsContact CB-OG 3.24Å; K3-S37 WeakPolarHBondContact CB-OG 3.22Å; K3-S37 VanDerWaalsContact CG-OG 3.29Å; K3-S37 WeakPolarHBondContact CG-OG 3.36Å; K3-F62 HydrophobicContact CB-CE1 3.44Å; K3-F62 VanDerWaalsContact CB-CE1 3.44Å; K3-F62 HydrophobicContact CB-CZ 3.58Å; K3-F62 HydrophobicContact CD-CZ 4Å; K3-F62 HydrophobicContact CG-CZ 4.44Å
4	Y	29.6	Very low	28.3	Very low	32 Å²	32	106.1 Å²	106.1	13%	0.125	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	157.9	-178.1	-63.3	-117.8	0	0	0	108.3	L2 N34 L35 C38 C55 R56	L2-Y4 HydrophobicContact CB-CE2 3.96Å; Y4-N34 HydrophobicContact CD2-CB 4.11Å; Y4-N34 WeakPolarHBondContact CD2-O 3.48Å; Y4-N34 HydrophobicContact CE2-CB 3.48Å; Y4-N34 VanDerWaalsContact CE2-CB 3.48Å; Y4-L35 VanDerWaalsContact CB-CD2 3.42Å; Y4-L35 HydrophobicContact CD1-CD2 3.28Å; Y4-L35 HydrophobicContact CD1-CG 3.77Å; Y4-L35 HydrophobicContact CD2-CD2 4.35Å; Y4-L35 HydrophobicContact CD2-CG 4.19Å; Y4-L35 HydrophobicContact CE1-CD2 4.1Å; Y4-L35 HydrophobicContact CE1-CG 4.23Å; Y4-L35 HydrophobicContact CG-CD2 3.45Å; Y4-L35 VanDerWaalsContact CG-CD2 3.45Å; Y4-L35 HydrophobicContact CG-CG 3.77Å; Y4-C38 WeakPolarHBondContact O-CA 3.06Å; Y4-C38 PolarHBondContact O-SG 3.47Å; Y4-C55 VanDerWaalsContact CD1-O 3.25Å; Y4-C55 WeakPolarHBondContact CD1-O 3.12Å; Y4-R56 HydrophobicContact CD1-CB 3.9Å; Y4-R56 HydrophobicContact CD1-CG 4.25Å; Y4-R56 VanDerWaalsContact CE1-CA 3.46Å; Y4-R56 HydrophobicContact CE1-CB 3.42Å; Y4-R56 VanDerWaalsContact CE1-CB 3.42Å; Y4-R56 HydrophobicContact CE1-CG 3.54Å
5	H	34	Very low	28.4	Very low	41 Å²	41	104.7 Å²	104.7	19%	0.19	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.2	175.5	-85.5	-104.2	0	0	0	110.7	S39 Y57 F62	H5-S39 PolarHBondContact CE1-OG 3.46Å; H5-S39 VanDerWaalsContact CE1-OG 3.23Å; H5-Y57 HydrophobicContact CB-CD2 4.47Å; H5-Y57 HydrophobicContact CB-CE2 3.84Å; H5-Y57 VanDerWaalsContact O-CE2 3.23Å; H5-Y57 WeakPolarHBondContact O-CE2 2.87Å; H5-F62 HydrophobicContact CB-CD1 4.36Å; H5-F62 HydrophobicContact CB-CG 4.47Å; H5-F62 AromaticContact CD2-CD1 3.14Å; H5-F62 WeakPolarHBondContact CD2-CD1 3.38Å; H5-F62 AromaticContact CD2-CD2 3.63Å; H5-F62 AromaticContact CD2-CE1 3.13Å; H5-F62 WeakPolarHBondContact CD2-CE1 3.46Å; H5-F62 AromaticContact CD2-CE2 3.61Å; H5-F62 AromaticContact CD2-CG 3.38Å; H5-F62 WeakPolarHBondContact CD2-CG 3.23Å; H5-F62 AromaticContact CD2-CZ 3.36Å; H5-F62 WeakPolarHBondContact CD2-CZ 3.44Å; H5-F62 AromaticContact CG-CD1 3.94Å; H5-F62 AromaticContact CG-CG 3.92Å; H5-F62 AromaticContact NE2-CD1 3.87Å; H5-F62 AromaticContact NE2-CD2 3.58Å; H5-F62 AromaticContact NE2-CE1 3.55Å; H5-F62 AromaticContact NE2-CE2 3.22Å; H5-F62 WeakPolarHBondContact NE2-CE2 3.26Å; H5-F62 AromaticContact NE2-CG 3.87Å; H5-F62 AromaticContact NE2-CZ 3.19Å; H5-F62 WeakPolarHBondContact NE2-CZ 3.37Å
6	I	36	Very low	28.9	Very low	34 Å²	34	103.4 Å²	103.4	17%	0.174	53%	0.528	C	S	.	.			trans	-115.5	131.9	-173.8	-58.3	-173.6	0	0	0	109.5	S41 L54	I6-S41 WeakPolarHBondContact CD1-OG 3.35Å; I6-L54 HydrophobicContact CD1-CD2 4.32Å
7	H	31.7	Very low	29.5	Very low	139 Å²	139	106.7 Å²	106.7	64%	0.644	54%	0.54	S	S	*	.			trans	-105.2	122.4	173.4	-84.2	-131.2	0	0	0	109.7	Y57	H7-Y57 PolarHBondContact CD2-OH 2.93Å; H7-Y57 PolarHBondContact NE2-OH 2.93Å
8	T	31.6	Very low	30.1	Very low	87 Å²	87	102.6 Å²	102.6	53%	0.534	52%	0.52	S	S	.	.			trans	-83.9	123.1	172.8	49.4	0	0	0	0	110.5	H42	T8-H42 HydrophobicContact CG2-CB 3.37Å
9	N	24.9	Very low	30.5	Very low	139 Å²	139	101.2 Å²	101.2	74%	0.743	52%	0.518	S	S	*	.			trans	-83.2	127.4	163.9	167.3	-1	0	0	0	107.6	F11	N9-F11 PolarHBondContact O-N 3.47Å; N9-F11 VanDerWaalsContact O-N 3.07Å
10	V	24.6	Very low	31.1	Very low	119 Å²	119	101.3 Å²	101.3	72%	0.721	52%	0.524	S	S	*	.	S	Bend	trans	-49.4	103.9	172.4	-180	0	0	0	0	111.1
11	F	23.1	Very low	31.3	Very low	173 Å²	173	104.3 Å²	104.3	76%	0.759	53%	0.534	S	S	*	.			trans	173.4	135.9	137.5	-114.8	-102.7	0	0	0	109.8	N9 I44	N9-F11 PolarHBondContact O-N 3.47Å; N9-F11 VanDerWaalsContact O-N 3.07Å; F11-I44 WeakPolarHBondContact O-CD1 3.23Å
12	C	22.4	Very low	32.1	Very low	80 Å²	80	95.9 Å²	95.9	54%	0.541	49%	0.493	S	S	.	.			trans	81.4	90.4	178.6	-60.5	0	0	0	0	117.2	A14 I44	C12-A14 PolarHBondContact O-N 2.88Å; C12-I44 HydrophobicContact CB-CG2 4.3Å
13	Q	23.2	Very low	33.1	Very low	192 Å²	192	93.9 Å²	93.9	90%	0.897	48%	0.482	S	S	*	.			trans	-71.6	75.7	173	-70.4	172	-49.9	0	0	112.9	L15	Q13-L15 HydrophobicContact CB-CD1 4.39Å; Q13-L15 HydrophobicContact CG-CD1 4.38Å
14	A	27.9	Very low	34.2	Very low	40 Å²	40	92.9 Å²	92.9	33%	0.331	48%	0.481	S	S	.	.			trans	-116.2	67.4	150.8	0	0	0	0	0	107.4	C12 F16	C12-A14 PolarHBondContact O-N 2.88Å; A14-F16 HydrophobicContact CB-CD2 4.3Å; A14-F16 HydrophobicContact CB-CE2 3.93Å; A14-F16 WeakPolarHBondContact O-CD2 3.17Å; A14-F16 PolarHBondContact O-N 3.02Å
15	L	30.3	Very low	35.2	Very low	85 Å²	85	97.3 Å²	97.3	45%	0.445	50%	0.503	S	S	.	.			trans	-65.9	88.4	171.7	-81.4	85.5	0	0	0	108.2	Q13 H17 H42	Q13-L15 HydrophobicContact CB-CD1 4.39Å; Q13-L15 HydrophobicContact CG-CD1 4.38Å; L15-H17 PolarHBondContact O-N 2.98Å; L15-H17 VanDerWaalsContact O-N 3.11Å; L15-H42 VanDerWaalsContact CD2-CE1 3.41Å; L15-H42 WeakPolarHBondContact CD2-CE1 3.49Å; L15-H42 WeakPolarHBondContact CD2-ND1 3.29Å
16	F	36.5	Very low	36	Very low	83 Å²	83	95.9 Å²	95.9	36%	0.364	50%	0.497	S	S	.	.			trans	-69.9	107.5	163	-70.6	-83	0	0	0	107.1	A14 L18 D78	A14-F16 HydrophobicContact CB-CD2 4.3Å; A14-F16 HydrophobicContact CB-CE2 3.93Å; A14-F16 WeakPolarHBondContact O-CD2 3.17Å; A14-F16 PolarHBondContact O-N 3.02Å; F16-L18 PolarHBondContact O-N 3.15Å; F16-D78 WeakPolarHBondContact CZ-O 3.07Å
17	H	38.9	Very low	36.7	Very low	160 Å²	160	94.5 Å²	94.5	74%	0.741	49%	0.49	S	S	*	.			trans	-68.2	93.5	159.4	-69.1	74.9	0	0	0	105.2	L15 P19	L15-H17 PolarHBondContact O-N 2.98Å; L15-H17 VanDerWaalsContact O-N 3.11Å; H17-P19 WeakPolarHBondContact O-CD 3.09Å
18	L	39.3	Very low	37.7	Very low	32 Å²	32	91.4 Å²	91.4	17%	0.168	48%	0.484	C	S	.	.			trans	-62.3	125	166.9	-71.4	-179.2	0	0	0	107	F16 T20 D22 F43 Y81	F16-L18 PolarHBondContact O-N 3.15Å; L18-T20 PolarHBondContact O-N 2.54Å; L18-D22 HydrophobicContact CB-CB 4.14Å; L18-D22 HydrophobicContact CD1-CB 4.26Å; L18-D22 HydrophobicContact CD2-CB 4.04Å; L18-D22 HydrophobicContact CG-CB 4.37Å; L18-F43 HydrophobicContact CB-CE2 4.12Å; L18-F43 HydrophobicContact CD1-CD1 4.22Å; L18-F43 HydrophobicContact CD1-CD2 3.85Å; L18-F43 HydrophobicContact CD1-CE1 3.74Å; L18-F43 HydrophobicContact CD1-CE2 3.33Å; L18-F43 HydrophobicContact CD1-CG 4.3Å; L18-F43 HydrophobicContact CD1-CZ 3.28Å; L18-F43 HydrophobicContact CG-CD2 3.94Å; L18-F43 HydrophobicContact CG-CE2 3.67Å; L18-F43 HydrophobicContact CG-CZ 4.16Å; L18-Y81 HydrophobicContact CD1-CE2 4.06Å; L18-Y81 WeakPolarHBondContact CD1-OH 3.44Å; L18-Y81 HydrophobicContact CD2-CE2 3.69Å
19	P	37.8	Very low	38.6	Very low	76 Å²	76	92 Å²	92	49%	0.494	48%	0.483	S	S	.	.			trans	-52.6	141.3	165.1	21.9	-28.6	0	0	0	107.8	H17 F21 D22	H17-P19 WeakPolarHBondContact O-CD 3.09Å; P19-F21 PolarHBondContact O-N 3.34Å; P19-D22 WeakPolarHBondContact CD-OD2 3.48Å; P19-D22 WeakPolarHBondContact CG-OD2 3.27Å; P19-D22 PolarHBondContact O-N 3.21Å
20	T	42.7	Very low	39.8	Very low	104 Å²	104	88.4 Å²	88.4	64%	0.638	46%	0.459	S	S	*	.	H	α-helix	trans	-45.4	-28.7	-172.1	-49.4	0	0	0	0	114.3	L18 L24	L18-T20 PolarHBondContact O-N 2.54Å; T20-L24 HydrophobicContact CG2-CD1 4.38Å; T20-L24 WeakPolarHBondContact O-CG 3.12Å; T20-L24 PolarHBondContact O-N 2.84Å; T20-L24 VanDerWaalsContact O-N 3.15Å
21	F	36.2	Very low	40.9	Very low	165 Å²	165	91.3 Å²	91.3	72%	0.724	47%	0.465	S	S	*	.	H	α-helix	trans	-60.5	-50.1	176	-67	-78.3	0	0	0	113.4	P19 F23 L24 E25	P19-F21 PolarHBondContact O-N 3.34Å; F21-F23 VanDerWaalsContact C-N 3.25Å; F21-F23 PolarHBondContact O-N 2.73Å; F21-L24 PolarHBondContact O-N 3.38Å; F21-L24 VanDerWaalsContact O-N 3.1Å; F21-E25 PolarHBondContact O-N 3.32Å
22	D	45.9	Very low	42	Very low	54 Å²	54	83.6 Å²	83.6	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-32.3	-176.9	-56.5	-17.4	0	0	0	110.8	L18 P19 E25 L26 Y81	L18-D22 HydrophobicContact CB-CB 4.14Å; L18-D22 HydrophobicContact CD1-CB 4.26Å; L18-D22 HydrophobicContact CD2-CB 4.04Å; L18-D22 HydrophobicContact CG-CB 4.37Å; P19-D22 WeakPolarHBondContact CD-OD2 3.48Å; P19-D22 WeakPolarHBondContact CG-OD2 3.27Å; P19-D22 PolarHBondContact O-N 3.21Å; D22-E25 PolarHBondContact O-N 2.05Å; D22-L26 VanDerWaalsContact O-CB 3.26Å; D22-L26 WeakPolarHBondContact O-CB 3.49Å; D22-L26 PolarHBondContact O-N 2.74Å; D22-Y81 HydrophobicContact CB-CE2 4.19Å
23	F	49.6	Very low	43.2	Very low	29 Å²	29	86.8 Å²	86.8	13%	0.127	44%	0.44	C	S	.	.	H	α-helix	trans	-66.1	-42	173.7	-178.8	-113.7	0	0	0	112.2	F21 L26 C27 C38 S41 F43	F21-F23 VanDerWaalsContact C-N 3.25Å; F21-F23 PolarHBondContact O-N 2.73Å; F23-L26 PolarHBondContact O-N 3.21Å; F23-C27 WeakPolarHBondContact O-CB 3.38Å; F23-C27 PolarHBondContact O-N 3Å; F23-C38 HydrophobicContact CZ-CB 4.13Å; F23-S41 WeakPolarHBondContact CE2-OG 3.24Å; F23-S41 VanDerWaalsContact CZ-OG 3.3Å; F23-S41 WeakPolarHBondContact CZ-OG 3.28Å; F23-F43 HydrophobicContact CD2-CZ 4Å
24	L	51.5	Low	43.9	Very low	87 Å²	87	82.2 Å²	82.2	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-38.3	176.6	-73.1	173.4	0	0	0	111.9	T20 F21 C27 S28 C36	T20-L24 HydrophobicContact CG2-CD1 4.38Å; T20-L24 WeakPolarHBondContact O-CG 3.12Å; T20-L24 PolarHBondContact O-N 2.84Å; T20-L24 VanDerWaalsContact O-N 3.15Å; F21-L24 PolarHBondContact O-N 3.38Å; F21-L24 VanDerWaalsContact O-N 3.1Å; L24-C27 WeakPolarHBondContact O-CB 3.14Å; L24-C27 PolarHBondContact O-N 3.03Å; L24-S28 PolarHBondContact O-N 3.03Å; L24-C36 HydrophobicContact CD2-CB 3.83Å
25	E	51	Low	44.5	Very low	124 Å²	124	81.2 Å²	81.2	58%	0.579	41%	0.411	S	S	*	.	H	α-helix	trans	-64.8	-47.1	174.9	-175.7	165.3	-167.5	0	0	111.1	F21 D22 C27 S28 I29	F21-E25 PolarHBondContact O-N 3.32Å; D22-E25 PolarHBondContact O-N 2.05Å; E25-C27 VanDerWaalsContact C-N 3.32Å; E25-C27 PolarHBondContact O-N 2.92Å; E25-S28 CarbonylContact O-C 3.57Å; E25-S28 WeakPolarHBondContact O-CA 3.17Å; E25-S28 VanDerWaalsContact O-CB 3.23Å; E25-S28 WeakPolarHBondContact O-CB 3.37Å; E25-S28 PolarHBondContact O-N 2.75Å; E25-I29 HydrophobicContact CG-CD1 4.12Å; E25-I29 WeakPolarHBondContact O-CG1 3.11Å; E25-I29 PolarHBondContact O-N 3.3Å
26	L	51.5	Low	44.7	Very low	12 Å²	12	79 Å²	79	6%	0.063	40%	0.402	C	S	.	.	H	α-helix	trans	-62.1	-41.7	176.2	-167	129.4	0	0	0	111.7	D22 F23 S28 I29 Y30 L52 Y81	D22-L26 VanDerWaalsContact O-CB 3.26Å; D22-L26 WeakPolarHBondContact O-CB 3.49Å; D22-L26 PolarHBondContact O-N 2.74Å; F23-L26 PolarHBondContact O-N 3.21Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.1Å; L26-I29 PolarHBondContact O-N 2.87Å; L26-Y30 HydrophobicContact CD1-CE2 4.15Å; L26-Y30 HydrophobicContact CD2-CD2 3.75Å; L26-Y30 HydrophobicContact CD2-CE2 3.97Å; L26-Y30 HydrophobicContact CG-CD2 3.77Å; L26-Y30 HydrophobicContact CG-CE2 3.76Å; L26-Y30 VanDerWaalsContact O-CD2 3.23Å; L26-Y30 WeakPolarHBondContact O-CD2 3.35Å; L26-Y30 PolarHBondContact O-N 2.99Å; L26-L52 HydrophobicContact CD1-CD1 4.45Å; L26-L52 HydrophobicContact CD2-CD1 3.57Å; L26-Y81 HydrophobicContact CD1-CD1 4.29Å; L26-Y81 HydrophobicContact CD1-CE1 3.29Å; L26-Y81 WeakPolarHBondContact CD1-OH 3.39Å
27	C	51.3	Low	44.7	Very low	4 Å²	4	77.3 Å²	77.3	3%	0.027	40%	0.401	C	S	.	.	H	α-helix	trans	-50.9	-44.9	167.5	-109.8	0	0	0	0	112.4	F23 L24 E25 Q31 A32 C36	F23-C27 WeakPolarHBondContact O-CB 3.38Å; F23-C27 PolarHBondContact O-N 3Å; L24-C27 WeakPolarHBondContact O-CB 3.14Å; L24-C27 PolarHBondContact O-N 3.03Å; E25-C27 VanDerWaalsContact C-N 3.32Å; E25-C27 PolarHBondContact O-N 2.92Å; C27-Q31 PolarHBondContact O-N 3.04Å; C27-A32 WeakPolarHBondContact O-CA 3.33Å; C27-A32 WeakPolarHBondContact O-CB 3.38Å; C27-A32 PolarHBondContact O-N 2.99Å; C27-C36 HydrophobicContact CB-CB 4.35Å; C27-C36 WeakPolarHBondContact CB-SG 3.38Å; C27-C36 WeakPolarHBondContact SG-CA 3.13Å; C27-C36 WeakPolarHBondContact SG-CB 3.14Å; C27-C36 CovalentContact SG-SG 2.05Å; C27-C36 PolarHBondContact SG-SG 3.41Å
28	S	51	Low	44.4	Very low	75 Å²	75	70.3 Å²	70.3	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-48	179.5	-169.9	0	0	0	0	111.4	L24 E25 L26 Y30 Q31	L24-S28 PolarHBondContact O-N 3.03Å; E25-S28 CarbonylContact O-C 3.57Å; E25-S28 WeakPolarHBondContact O-CA 3.17Å; E25-S28 VanDerWaalsContact O-CB 3.23Å; E25-S28 WeakPolarHBondContact O-CB 3.37Å; E25-S28 PolarHBondContact O-N 2.75Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.1Å; S28-Y30 VanDerWaalsContact C-N 3.26Å; S28-Y30 PolarHBondContact O-N 2.76Å; S28-Q31 PolarHBondContact O-N 3.38Å
29	I	51.1	Low	44.1	Very low	99 Å²	99	72.4 Å²	72.4	51%	0.508	39%	0.387	S	S	.	.	H	α-helix	trans	-54.8	-44.8	178.4	-68.8	167.5	0	0	0	110.5	E25 L26 Q31	E25-I29 HydrophobicContact CG-CD1 4.12Å; E25-I29 WeakPolarHBondContact O-CG1 3.11Å; E25-I29 PolarHBondContact O-N 3.3Å; L26-I29 PolarHBondContact O-N 2.87Å; I29-Q31 VanDerWaalsContact C-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.41Å
30	Y	49.7	Very low	44.1	Very low	63 Å²	63	76.1 Å²	76.1	25%	0.247	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	8.6	-179.3	-71.4	-68.2	0	0	0	114.7	L26 S28 A32 L52 I71 H73	L26-Y30 HydrophobicContact CD1-CE2 4.15Å; L26-Y30 HydrophobicContact CD2-CD2 3.75Å; L26-Y30 HydrophobicContact CD2-CE2 3.97Å; L26-Y30 HydrophobicContact CG-CD2 3.77Å; L26-Y30 HydrophobicContact CG-CE2 3.76Å; L26-Y30 VanDerWaalsContact O-CD2 3.23Å; L26-Y30 WeakPolarHBondContact O-CD2 3.35Å; L26-Y30 PolarHBondContact O-N 2.99Å; S28-Y30 VanDerWaalsContact C-N 3.26Å; S28-Y30 PolarHBondContact O-N 2.76Å; Y30-A32 PolarHBondContact O-N 3.28Å; Y30-L52 HydrophobicContact CE2-CD1 4.41Å; Y30-I71 HydrophobicContact CD1-CD1 3.74Å; Y30-I71 HydrophobicContact CD1-CG2 4.01Å; Y30-I71 HydrophobicContact CE1-CD1 4.18Å; Y30-I71 HydrophobicContact CE1-CG2 3.38Å; Y30-I71 HydrophobicContact CE2-CG2 4.18Å; Y30-I71 HydrophobicContact CG-CD1 4.06Å; Y30-I71 VanDerWaalsContact CZ-CG2 3.48Å; Y30-H73 AromaticContact CZ-ND1 3.96Å; Y30-H73 WeakPolarHBondContact OH-CB 3.21Å; Y30-H73 PolarHBondContact OH-ND1 3.35Å
31	Q	48.5	Very low	44.1	Very low	180 Å²	180	72 Å²	72	84%	0.841	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	32.4	-173.7	-59.4	-174.7	-16.3	0	0	112.2	C27 S28 I29 Q33	C27-Q31 PolarHBondContact O-N 3.04Å; S28-Q31 PolarHBondContact O-N 3.38Å; I29-Q31 VanDerWaalsContact C-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.41Å; Q31-Q33 VanDerWaalsContact C-N 3.3Å; Q31-Q33 PolarHBondContact O-N 3.37Å
32	A	46.7	Very low	44.3	Very low	11 Å²	11	67.1 Å²	67.1	9%	0.091	35%	0.352	C	S	.	.			trans	-95.5	31.5	-171.6	0	0	0	0	0	110.7	C27 Y30 N34 L35	C27-A32 WeakPolarHBondContact O-CA 3.33Å; C27-A32 WeakPolarHBondContact O-CB 3.38Å; C27-A32 PolarHBondContact O-N 2.99Å; Y30-A32 PolarHBondContact O-N 3.28Å; A32-N34 PolarHBondContact O-N 3.08Å; A32-L35 HydrophobicContact CB-CB 4.19Å; A32-L35 HydrophobicContact CB-CD1 3.27Å; A32-L35 HydrophobicContact CB-CG 4.28Å; A32-L35 WeakPolarHBondContact O-CA 3.23Å; A32-L35 VanDerWaalsContact O-CB 3.23Å; A32-L35 WeakPolarHBondContact O-CB 3.36Å; A32-L35 PolarHBondContact O-N 3.05Å
33	Q	46.2	Very low	44.3	Very low	147 Å²	147	64.9 Å²	64.9	69%	0.687	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-55.1	-32.5	-174.4	-67.6	180	-4.1	0	0	113.4	Q31 L35 C36	Q31-Q33 VanDerWaalsContact C-N 3.3Å; Q31-Q33 PolarHBondContact O-N 3.37Å; Q33-L35 VanDerWaalsContact C-N 3.26Å; Q33-L35 PolarHBondContact O-N 2.77Å; Q33-C36 PolarHBondContact O-N 3.27Å; Q33-C36 PolarHBondContact O-SG 3.3Å; Q33-C36 VanDerWaalsContact O-SG 3.38Å
34	N	38.7	Very low	43.9	Very low	96 Å²	96	66.3 Å²	66.3	51%	0.513	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-71.9	-19.8	176.2	-61.6	-42.2	0	0	0	113.2	Y4 A32 C36	Y4-N34 HydrophobicContact CD2-CB 4.11Å; Y4-N34 WeakPolarHBondContact CD2-O 3.48Å; Y4-N34 HydrophobicContact CE2-CB 3.48Å; Y4-N34 VanDerWaalsContact CE2-CB 3.48Å; A32-N34 PolarHBondContact O-N 3.08Å; N34-C36 VanDerWaalsContact C-N 3.31Å
35	L	41.1	Very low	43.5	Very low	19 Å²	19	63.4 Å²	63.4	10%	0.099	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-78.9	-13.9	175.6	-68.5	141.6	0	0	0	112.1	Y4 A32 Q33 S37 C38 L54	Y4-L35 VanDerWaalsContact CB-CD2 3.42Å; Y4-L35 HydrophobicContact CD1-CD2 3.28Å; Y4-L35 HydrophobicContact CD1-CG 3.77Å; Y4-L35 HydrophobicContact CD2-CD2 4.35Å; Y4-L35 HydrophobicContact CD2-CG 4.19Å; Y4-L35 HydrophobicContact CE1-CD2 4.1Å; Y4-L35 HydrophobicContact CE1-CG 4.23Å; Y4-L35 HydrophobicContact CG-CD2 3.45Å; Y4-L35 VanDerWaalsContact CG-CD2 3.45Å; Y4-L35 HydrophobicContact CG-CG 3.77Å; A32-L35 HydrophobicContact CB-CB 4.19Å; A32-L35 HydrophobicContact CB-CD1 3.27Å; A32-L35 HydrophobicContact CB-CG 4.28Å; A32-L35 WeakPolarHBondContact O-CA 3.23Å; A32-L35 VanDerWaalsContact O-CB 3.23Å; A32-L35 WeakPolarHBondContact O-CB 3.36Å; A32-L35 PolarHBondContact O-N 3.05Å; Q33-L35 VanDerWaalsContact C-N 3.26Å; Q33-L35 PolarHBondContact O-N 2.77Å; L35-S37 PolarHBondContact O-N 3.23Å; L35-C38 WeakPolarHBondContact O-CB 3.25Å; L35-C38 PolarHBondContact O-N 2.88Å; L35-C38 PolarHBondContact O-SG 2.76Å; L35-L54 HydrophobicContact CD1-CB 4.36Å; L35-L54 HydrophobicContact CD1-CD1 3.88Å; L35-L54 HydrophobicContact CD1-CD2 4.36Å; L35-L54 HydrophobicContact CD1-CG 4.43Å; L35-L54 HydrophobicContact CD2-CB 3.91Å; L35-L54 HydrophobicContact CD2-CD2 3.92Å; L35-L54 HydrophobicContact CD2-CG 4.34Å
36	C	34.2	Very low	43.3	Very low	40 Å²	40	63.9 Å²	63.9	27%	0.27	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-75.7	3.6	-175	-40.4	0	0	0	0	114.4	L24 C27 Q33 N34 C38	L24-C36 HydrophobicContact CD2-CB 3.83Å; C27-C36 HydrophobicContact CB-CB 4.35Å; C27-C36 WeakPolarHBondContact CB-SG 3.38Å; C27-C36 WeakPolarHBondContact SG-CA 3.13Å; C27-C36 WeakPolarHBondContact SG-CB 3.14Å; C27-C36 CovalentContact SG-SG 2.05Å; C27-C36 PolarHBondContact SG-SG 3.41Å; Q33-C36 PolarHBondContact O-N 3.27Å; Q33-C36 PolarHBondContact O-SG 3.3Å; Q33-C36 VanDerWaalsContact O-SG 3.38Å; N34-C36 VanDerWaalsContact C-N 3.31Å; C36-C38 VanDerWaalsContact C-N 3.33Å
37	S	35	Very low	43.8	Very low	47 Å²	47	70.6 Å²	70.6	33%	0.329	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-86.4	-3.1	166.3	71.8	0	0	0	0	113.5	K3 L35 S39	K3-S37 VanDerWaalsContact CA-OG 3.28Å; K3-S37 WeakPolarHBondContact CA-OG 3.19Å; K3-S37 VanDerWaalsContact CB-OG 3.24Å; K3-S37 WeakPolarHBondContact CB-OG 3.22Å; K3-S37 VanDerWaalsContact CG-OG 3.29Å; K3-S37 WeakPolarHBondContact CG-OG 3.36Å; L35-S37 PolarHBondContact O-N 3.23Å; S37-S39 PolarHBondContact O-N 3.4Å
38	C	34.3	Very low	44.1	Very low	13 Å²	13	71.1 Å²	71.1	9%	0.088	38%	0.378	C	S	.	.			trans	-64.8	118.5	179.8	-66.7	0	0	0	0	109.2	Y4 F23 L35 C36 E40	Y4-C38 WeakPolarHBondContact O-CA 3.06Å; Y4-C38 PolarHBondContact O-SG 3.47Å; F23-C38 HydrophobicContact CZ-CB 4.13Å; L35-C38 WeakPolarHBondContact O-CB 3.25Å; L35-C38 PolarHBondContact O-N 2.88Å; L35-C38 PolarHBondContact O-SG 2.76Å; C36-C38 VanDerWaalsContact C-N 3.33Å; C38-E40 PolarHBondContact O-N 2.78Å
39	S	33	Very low	44.5	Very low	76 Å²	76	69.5 Å²	69.5	53%	0.531	37%	0.365	S	S	.	.	S	Bend	trans	-70	123	162.8	57.4	0	0	0	0	108.4	H5 S37	H5-S39 PolarHBondContact CE1-OG 3.46Å; H5-S39 VanDerWaalsContact CE1-OG 3.23Å; S37-S39 PolarHBondContact O-N 3.4Å
40	E	36.9	Very low	45.1	Very low	153 Å²	153	65 Å²	65	72%	0.715	34%	0.342	S	S	*	.			trans	58.5	100	169.5	-62.2	178.2	-176.8	0	0	114.5	C38	C38-E40 PolarHBondContact O-N 2.78Å
41	S	42.3	Very low	45.6	Very low	17 Å²	17	65.8 Å²	65.8	12%	0.119	35%	0.347	C	S	.	.			trans	-95.4	124.7	168.8	-59.2	0	0	0	0	108.1	I6 F23 F43	I6-S41 WeakPolarHBondContact CD1-OG 3.35Å; F23-S41 WeakPolarHBondContact CE2-OG 3.24Å; F23-S41 VanDerWaalsContact CZ-OG 3.3Å; F23-S41 WeakPolarHBondContact CZ-OG 3.28Å; S41-F43 VanDerWaalsContact CB-CZ 3.48Å; S41-F43 WeakPolarHBondContact O-CD2 3.42Å; S41-F43 WeakPolarHBondContact O-CE2 3.41Å
42	H	40.9	Very low	46.3	Very low	63 Å²	63	57.7 Å²	57.7	29%	0.292	31%	0.31	S	S	.	.			trans	-101.4	128.6	172.1	-61.1	-76.7	0	0	0	108.5	T8 L15	T8-H42 HydrophobicContact CG2-CB 3.37Å; L15-H42 VanDerWaalsContact CD2-CE1 3.41Å; L15-H42 WeakPolarHBondContact CD2-CE1 3.49Å; L15-H42 WeakPolarHBondContact CD2-ND1 3.29Å
43	F	45.8	Very low	46.9	Very low	8 Å²	8	62.2 Å²	62.2	4%	0.035	33%	0.327	C	S	.	.			trans	-104.5	144.3	-177.5	-55.2	-91.6	0	0	0	108.8	L18 F23 S41 I50 L52	L18-F43 HydrophobicContact CB-CE2 4.12Å; L18-F43 HydrophobicContact CD1-CD1 4.22Å; L18-F43 HydrophobicContact CD1-CD2 3.85Å; L18-F43 HydrophobicContact CD1-CE1 3.74Å; L18-F43 HydrophobicContact CD1-CE2 3.33Å; L18-F43 HydrophobicContact CD1-CG 4.3Å; L18-F43 HydrophobicContact CD1-CZ 3.28Å; L18-F43 HydrophobicContact CG-CD2 3.94Å; L18-F43 HydrophobicContact CG-CE2 3.67Å; L18-F43 HydrophobicContact CG-CZ 4.16Å; F23-F43 HydrophobicContact CD2-CZ 4Å; S41-F43 VanDerWaalsContact CB-CZ 3.48Å; S41-F43 WeakPolarHBondContact O-CD2 3.42Å; S41-F43 WeakPolarHBondContact O-CE2 3.41Å; F43-I50 HydrophobicContact CB-CG2 4.24Å; F43-I50 HydrophobicContact CD1-CG2 3.79Å; F43-I50 HydrophobicContact CG-CG2 4.49Å; F43-L52 HydrophobicContact CD1-CD2 3.25Å; F43-L52 HydrophobicContact CE1-CD2 3.3Å; F43-L52 HydrophobicContact CG-CD2 4.49Å
44	I	42.3	Very low	47.6	Very low	58 Å²	58	56.3 Å²	56.3	30%	0.297	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.3	165.9	-58.9	170.8	0	0	0	105.5	F11 C12 H51	F11-I44 WeakPolarHBondContact O-CD1 3.23Å; C12-I44 HydrophobicContact CB-CG2 4.3Å; I44-H51 PolarHBondContact O-N 2.86Å
45	S	43	Very low	48.3	Very low	26 Å²	26	52.2 Å²	52.2	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.5	163.8	174	0	0	0	0	107.6	V49 C75	S45-V49 WeakPolarHBondContact CA-O 3.39Å; S45-C75 PolarHBondContact OG-SG 3.4Å; S45-C75 VanDerWaalsContact OG-SG 3.33Å
46	F	46.1	Very low	48.8	Very low	134 Å²	134	56.2 Å²	56.2	59%	0.588	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.4	171.5	-171.8	-98.3	0	0	0	108.7	G48 V49	F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 3.34Å; F46-V49 PolarHBondContact N-O 3.31Å; F46-V49 PolarHBondContact O-N 3Å
47	N	61.9	Low	49.7	Very low	153 Å²	153	54.5 Å²	54.5	82%	0.818	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.9	175	-159.1	48.7	0	0	0	114.3
48	G	58.2	Low	50.7	Low	16 Å²	16	58.7 Å²	58.7	17%	0.165	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	20.6	-178.5	0	0	0	0	0	114.1	F46 P74 C75	F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 3.34Å; G48-P74 CarbonylContact O-C 3.58Å; G48-P74 WeakPolarHBondContact O-CA 3.37Å; G48-C75 CarbonylContact C-O 3.39Å; G48-C75 WeakPolarHBondContact CA-O 3.46Å; G48-C75 PolarHBondContact O-N 2.05Å
49	V	58.7	Low	51.8	Low	40 Å²	40	59.8 Å²	59.8	24%	0.242	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	174.7	-175.9	0	0	0	0	109.6	S45 F46 H51 E72 H73	S45-V49 WeakPolarHBondContact CA-O 3.39Å; F46-V49 PolarHBondContact N-O 3.31Å; F46-V49 PolarHBondContact O-N 3Å; V49-H51 PolarHBondContact O-CD2 3.49Å; V49-E72 HydrophobicContact CG1-CB 3.74Å; V49-E72 HydrophobicContact CG1-CG 4.35Å; V49-H73 CarbonylContact C-O 3.59Å; V49-H73 WeakPolarHBondContact CA-O 3.41Å
50	I	64.3	Low	53.1	Low	6 Å²	6	61 Å²	61	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.7	169.5	-60.5	175.2	0	0	0	107.8	F43 L52 E72 H73 C75 Y81	F43-I50 HydrophobicContact CB-CG2 4.24Å; F43-I50 HydrophobicContact CD1-CG2 3.79Å; F43-I50 HydrophobicContact CG-CG2 4.49Å; I50-L52 HydrophobicContact CG2-CD2 3.76Å; I50-L52 HydrophobicContact CG2-CG 3.97Å; I50-E72 CarbonylContact O-C 3.54Å; I50-E72 WeakPolarHBondContact O-CA 3.06Å; I50-H73 HydrophobicContact CB-CB 4.47Å; I50-H73 PolarHBondContact N-O 2.86Å; I50-H73 PolarHBondContact O-N 2.97Å; I50-C75 HydrophobicContact CD1-CB 3.73Å; I50-C75 HydrophobicContact CG1-CB 3.79Å; I50-Y81 HydrophobicContact CD1-CD1 4.31Å; I50-Y81 HydrophobicContact CD1-CE1 3.52Å
51	H	59.6	Low	54.2	Low	78 Å²	78	58.1 Å²	58.1	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.6	171.9	-62.3	-97.6	0	0	0	109.7	I44 V49 E72	I44-H51 PolarHBondContact O-N 2.86Å; V49-H51 PolarHBondContact O-CD2 3.49Å; H51-E72 IonicContact CE1-OE1 3.05Å; H51-E72 PolarHBondContact CE1-OE1 3.33Å; H51-E72 IonicContact CE1-OE2 3.99Å; H51-E72 WeakPolarHBondContact ND1-CG 3.3Å; H51-E72 IonicContact ND1-OE1 3.99Å; H51-E72 PolarHBondContact ND1-OE1 2.84Å
52	L	63.8	Low	54.5	Low	11 Å²	11	60 Å²	60	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.3	179.2	-57	169.7	0	0	0	108.7	L26 Y30 F43 I50 D70 I71	L26-L52 HydrophobicContact CD1-CD1 4.45Å; L26-L52 HydrophobicContact CD2-CD1 3.57Å; Y30-L52 HydrophobicContact CE2-CD1 4.41Å; F43-L52 HydrophobicContact CD1-CD2 3.25Å; F43-L52 HydrophobicContact CE1-CD2 3.3Å; F43-L52 HydrophobicContact CG-CD2 4.49Å; I50-L52 HydrophobicContact CG2-CD2 3.76Å; I50-L52 HydrophobicContact CG2-CG 3.97Å; L52-D70 CarbonylContact O-C 3.52Å; L52-D70 WeakPolarHBondContact O-CA 3.41Å; L52-I71 HydrophobicContact CB-CB 4.13Å; L52-I71 HydrophobicContact CD1-CB 4.36Å; L52-I71 HydrophobicContact CD1-CG2 4.23Å; L52-I71 PolarHBondContact N-O 2.87Å; L52-I71 PolarHBondContact O-N 2.87Å
53	K	59.6	Low	55.1	Low	105 Å²	105	61.6 Å²	61.6	46%	0.457	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.2	169	-169.9	164.1	-169	156.9	0	109.8	C68 D70	K53-C68 HydrophobicContact CG-CB 4.47Å; K53-D70 WeakPolarHBondContact CD-OD1 2.96Å; K53-D70 WeakPolarHBondContact CG-OD1 3.41Å; K53-D70 IonicContact NZ-OD1 3.74Å
54	L	60.5	Low	55.4	Low	24 Å²	24	66.7 Å²	66.7	13%	0.126	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.1	-177.4	-58.5	172.5	0	0	0	108.9	I6 L35 C68 R69 I71	I6-L54 HydrophobicContact CD1-CD2 4.32Å; L35-L54 HydrophobicContact CD1-CB 4.36Å; L35-L54 HydrophobicContact CD1-CD1 3.88Å; L35-L54 HydrophobicContact CD1-CD2 4.36Å; L35-L54 HydrophobicContact CD1-CG 4.43Å; L35-L54 HydrophobicContact CD2-CB 3.91Å; L35-L54 HydrophobicContact CD2-CD2 3.92Å; L35-L54 HydrophobicContact CD2-CG 4.34Å; L54-C68 CarbonylContact O-C 3.59Å; L54-C68 VanDerWaalsContact O-CA 3.27Å; L54-C68 WeakPolarHBondContact O-CA 2.99Å; L54-R69 PolarHBondContact N-O 3.01Å; L54-R69 PolarHBondContact O-N 3.1Å; L54-I71 HydrophobicContact CD1-CD1 3.34Å; L54-I71 HydrophobicContact CD1-CG1 4.02Å; L54-I71 HydrophobicContact CG-CD1 4.48Å
55	C	52.1	Low	56.2	Low	10 Å²	10	67.3 Å²	67.3	7%	0.068	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.9	-178.9	-68	0	0	0	0	111.2	Y4 Y57 V65 N67 C68	Y4-C55 VanDerWaalsContact CD1-O 3.25Å; Y4-C55 WeakPolarHBondContact CD1-O 3.12Å; C55-Y57 HydrophobicContact CB-CE2 3.97Å; C55-Y57 WeakPolarHBondContact O-CD2 3.23Å; C55-Y57 WeakPolarHBondContact O-CE2 3.17Å; C55-V65 HydrophobicContact CB-CG1 4.19Å; C55-N67 CarbonylContact C-O 3.54Å; C55-N67 WeakPolarHBondContact CA-O 3.44Å; C55-C68 HydrophobicContact CB-CB 4.18Å; C55-C68 WeakPolarHBondContact CB-SG 3.47Å; C55-C68 WeakPolarHBondContact SG-CB 3.39Å; C55-C68 CovalentContact SG-SG 2.05Å; C55-C68 PolarHBondContact SG-SG 2.92Å
56	R	52.7	Low	57	Low	102 Å²	102	69.7 Å²	69.7	39%	0.385	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.6	169.1	-172.1	175.6	-176.8	176.8	2.1	109.4	L2 Y4 V65 D66 N67	L2-R56 HydrophobicContact CD2-CG 4.19Å; Y4-R56 HydrophobicContact CD1-CB 3.9Å; Y4-R56 HydrophobicContact CD1-CG 4.25Å; Y4-R56 VanDerWaalsContact CE1-CA 3.46Å; Y4-R56 HydrophobicContact CE1-CB 3.42Å; Y4-R56 VanDerWaalsContact CE1-CB 3.42Å; Y4-R56 HydrophobicContact CE1-CG 3.54Å; R56-V65 CarbonylContact O-C 3.52Å; R56-D66 HydrophobicContact CB-CB 4.22Å; R56-D66 WeakPolarHBondContact CD-OD2 3.13Å; R56-D66 HydrophobicContact CG-CB 4.11Å; R56-D66 IonicContact NE-OD2 3.08Å; R56-D66 PolarHBondContact O-N 3.47Å; R56-N67 WeakPolarHBondContact CB-O 3.37Å; R56-N67 PolarHBondContact N-O 3.15Å; R56-N67 PolarHBondContact O-N 3.32Å
57	Y	52.6	Low	57.5	Low	5 Å²	5	68.7 Å²	68.7	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.4	174.3	-67.7	-100.9	0	0	0	110.1	H5 H7 C55 S59 F62 E64 V65	H5-Y57 HydrophobicContact CB-CD2 4.47Å; H5-Y57 HydrophobicContact CB-CE2 3.84Å; H5-Y57 VanDerWaalsContact O-CE2 3.23Å; H5-Y57 WeakPolarHBondContact O-CE2 2.87Å; H7-Y57 PolarHBondContact CD2-OH 2.93Å; H7-Y57 PolarHBondContact NE2-OH 2.93Å; C55-Y57 HydrophobicContact CB-CE2 3.97Å; C55-Y57 WeakPolarHBondContact O-CD2 3.23Å; C55-Y57 WeakPolarHBondContact O-CE2 3.17Å; Y57-S59 PolarHBondContact O-N 3.07Å; Y57-F62 VanDerWaalsContact CD1-C 3.42Å; Y57-F62 VanDerWaalsContact CD1-CA 3.45Å; Y57-F62 HydrophobicContact CD1-CB 4.03Å; Y57-F62 WeakPolarHBondContact CD1-O 3.2Å; Y57-F62 HydrophobicContact CD2-CD1 4.39Å; Y57-F62 HydrophobicContact CE1-CB 4.16Å; Y57-F62 WeakPolarHBondContact CE1-O 3.26Å; Y57-F62 HydrophobicContact CG-CB 4.4Å; Y57-F62 HydrophobicContact CG-CD1 4.17Å; Y57-E64 CarbonylContact C-O 3.58Å; Y57-E64 VanDerWaalsContact CA-O 3.26Å; Y57-E64 WeakPolarHBondContact CA-O 3.35Å; Y57-V65 HydrophobicContact CD1-CG2 4.04Å; Y57-V65 HydrophobicContact CE1-CG2 3.55Å
58	K	57.1	Low	57.4	Low	135 Å²	135	63.4 Å²	63.4	59%	0.587	34%	0.336	S	S	*	.	S	Bend	trans	-70.2	-25.8	177.6	-65.9	-172.6	179	177.1	0	112	E64 D66	K58-E64 HydrophobicContact CB-CB 4.35Å; K58-E64 PolarHBondContact N-O 2.9Å; K58-D66 HydrophobicContact CD-CB 4.48Å; K58-D66 WeakPolarHBondContact CE-OD1 3.46Å; K58-D66 HydrophobicContact CG-CB 3.52Å
59	S	56.8	Low	57.4	Low	36 Å²	36	71.1 Å²	71.1	25%	0.252	36%	0.36	S	S	.	.	S	Bend	trans	-134	150.7	-169.1	52.3	0	0	0	0	111.1	Y57 N61 F62	Y57-S59 PolarHBondContact O-N 3.07Å; S59-N61 WeakPolarHBondContact CB-OD1 3.39Å; S59-N61 PolarHBondContact O-N 3.46Å; S59-N61 PolarHBondContact OG-OD1 3.02Å; S59-F62 PolarHBondContact O-N 3.24Å
60	S	59.1	Low	57.9	Low	102 Å²	102	74 Å²	74	71%	0.713	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-4.9	178.5	55.1	0	0	0	0	114.2	F62	S60-F62 WeakPolarHBondContact O-CE2 3.2Å; S60-F62 WeakPolarHBondContact O-CZ 3.14Å
61	N	60.3	Low	57.9	Low	92 Å²	92	74.6 Å²	74.6	49%	0.492	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.6	173.7	71.6	-14.1	0	0	0	112.6	S59 T63	S59-N61 WeakPolarHBondContact CB-OD1 3.39Å; S59-N61 PolarHBondContact O-N 3.46Å; S59-N61 PolarHBondContact OG-OD1 3.02Å; N61-T63 HydrophobicContact CB-CG2 4.42Å; N61-T63 VanDerWaalsContact CG-OG1 3.29Å; N61-T63 PolarHBondContact ND2-OG1 2.75Å; N61-T63 PolarHBondContact O-N 3.21Å; N61-T63 VanDerWaalsContact O-N 3.15Å; N61-T63 PolarHBondContact OD1-N 2.85Å; N61-T63 PolarHBondContact OD1-OG1 3.44Å
62	F	49.3	Very low	58.3	Low	56 Å²	56	76.8 Å²	76.8	25%	0.246	39%	0.388	C	S	.	.	S	Bend	trans	59.5	25.4	175	-43.7	-64.6	0	0	0	114.9	K3 H5 Y57 S59 S60	K3-F62 HydrophobicContact CB-CE1 3.44Å; K3-F62 VanDerWaalsContact CB-CE1 3.44Å; K3-F62 HydrophobicContact CB-CZ 3.58Å; K3-F62 HydrophobicContact CD-CZ 4Å; K3-F62 HydrophobicContact CG-CZ 4.44Å; H5-F62 HydrophobicContact CB-CD1 4.36Å; H5-F62 HydrophobicContact CB-CG 4.47Å; H5-F62 AromaticContact CD2-CD1 3.14Å; H5-F62 WeakPolarHBondContact CD2-CD1 3.38Å; H5-F62 AromaticContact CD2-CD2 3.63Å; H5-F62 AromaticContact CD2-CE1 3.13Å; H5-F62 WeakPolarHBondContact CD2-CE1 3.46Å; H5-F62 AromaticContact CD2-CE2 3.61Å; H5-F62 AromaticContact CD2-CG 3.38Å; H5-F62 WeakPolarHBondContact CD2-CG 3.23Å; H5-F62 AromaticContact CD2-CZ 3.36Å; H5-F62 WeakPolarHBondContact CD2-CZ 3.44Å; H5-F62 AromaticContact CG-CD1 3.94Å; H5-F62 AromaticContact CG-CG 3.92Å; H5-F62 AromaticContact NE2-CD1 3.87Å; H5-F62 AromaticContact NE2-CD2 3.58Å; H5-F62 AromaticContact NE2-CE1 3.55Å; H5-F62 AromaticContact NE2-CE2 3.22Å; H5-F62 WeakPolarHBondContact NE2-CE2 3.26Å; H5-F62 AromaticContact NE2-CG 3.87Å; H5-F62 AromaticContact NE2-CZ 3.19Å; H5-F62 WeakPolarHBondContact NE2-CZ 3.37Å; Y57-F62 VanDerWaalsContact CD1-C 3.42Å; Y57-F62 VanDerWaalsContact CD1-CA 3.45Å; Y57-F62 HydrophobicContact CD1-CB 4.03Å; Y57-F62 WeakPolarHBondContact CD1-O 3.2Å; Y57-F62 HydrophobicContact CD2-CD1 4.39Å; Y57-F62 HydrophobicContact CE1-CB 4.16Å; Y57-F62 WeakPolarHBondContact CE1-O 3.26Å; Y57-F62 HydrophobicContact CG-CB 4.4Å; Y57-F62 HydrophobicContact CG-CD1 4.17Å; S59-F62 PolarHBondContact O-N 3.24Å; S60-F62 WeakPolarHBondContact O-CE2 3.2Å; S60-F62 WeakPolarHBondContact O-CZ 3.14Å
63	T	53	Low	58.2	Low	96 Å²	96	78.1 Å²	78.1	59%	0.589	39%	0.393	S	S	*	.			trans	-93.2	-25.8	179.6	59.2	0	0	0	0	113.2	N61	N61-T63 HydrophobicContact CB-CG2 4.42Å; N61-T63 VanDerWaalsContact CG-OG1 3.29Å; N61-T63 PolarHBondContact ND2-OG1 2.75Å; N61-T63 PolarHBondContact O-N 3.21Å; N61-T63 VanDerWaalsContact O-N 3.15Å; N61-T63 PolarHBondContact OD1-N 2.85Å; N61-T63 PolarHBondContact OD1-OG1 3.44Å
64	E	53.4	Low	58.2	Low	115 Å²	115	77.1 Å²	77.1	54%	0.537	40%	0.398	S	S	.	.	S	Bend	trans	-118.7	112	-176.6	-71.3	-173.9	-170.2	0	0	111.3	Y57 K58	Y57-E64 CarbonylContact C-O 3.58Å; Y57-E64 VanDerWaalsContact CA-O 3.26Å; Y57-E64 WeakPolarHBondContact CA-O 3.35Å; K58-E64 HydrophobicContact CB-CB 4.35Å; K58-E64 PolarHBondContact N-O 2.9Å
65	V	59.3	Low	57.9	Low	72 Å²	72	76.3 Å²	76.3	44%	0.436	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.2	173.6	178.5	0	0	0	0	109.2	C55 R56 Y57 C68	C55-V65 HydrophobicContact CB-CG1 4.19Å; R56-V65 CarbonylContact O-C 3.52Å; Y57-V65 HydrophobicContact CD1-CG2 4.04Å; Y57-V65 HydrophobicContact CE1-CG2 3.55Å; V65-C68 WeakPolarHBondContact CG1-SG 3.4Å
66	D	58.4	Low	58	Low	76 Å²	76	79.1 Å²	79.1	41%	0.406	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-55.5	174.7	-169.5	35.4	0	0	0	111.2	R56 K58	R56-D66 HydrophobicContact CB-CB 4.22Å; R56-D66 WeakPolarHBondContact CD-OD2 3.13Å; R56-D66 HydrophobicContact CG-CB 4.11Å; R56-D66 IonicContact NE-OD2 3.08Å; R56-D66 PolarHBondContact O-N 3.47Å; K58-D66 HydrophobicContact CD-CB 4.48Å; K58-D66 WeakPolarHBondContact CE-OD1 3.46Å; K58-D66 HydrophobicContact CG-CB 3.52Å
67	N	56.4	Low	58.1	Low	112 Å²	112	79.9 Å²	79.9	60%	0.599	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.7	146.6	-178.2	-168.6	11	0	0	0	109.6	C55 R56	C55-N67 CarbonylContact C-O 3.54Å; C55-N67 WeakPolarHBondContact CA-O 3.44Å; R56-N67 WeakPolarHBondContact CB-O 3.37Å; R56-N67 PolarHBondContact N-O 3.15Å; R56-N67 PolarHBondContact O-N 3.32Å
68	C	60.6	Low	58.2	Low	43 Å²	43	84.6 Å²	84.6	29%	0.291	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.1	171.8	-61.3	0	0	0	0	110.1	K53 L54 C55 V65	K53-C68 HydrophobicContact CG-CB 4.47Å; L54-C68 CarbonylContact O-C 3.59Å; L54-C68 VanDerWaalsContact O-CA 3.27Å; L54-C68 WeakPolarHBondContact O-CA 2.99Å; C55-C68 HydrophobicContact CB-CB 4.18Å; C55-C68 WeakPolarHBondContact CB-SG 3.47Å; C55-C68 WeakPolarHBondContact SG-CB 3.39Å; C55-C68 CovalentContact SG-SG 2.05Å; C55-C68 PolarHBondContact SG-SG 2.92Å; V65-C68 WeakPolarHBondContact CG1-SG 3.4Å
69	R	58.9	Low	57.7	Low	177 Å²	177	78.8 Å²	78.8	67%	0.668	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.7	170.4	178.9	177.1	178.1	-172.9	0.8	109.3	L54 I71	L54-R69 PolarHBondContact N-O 3.01Å; L54-R69 PolarHBondContact O-N 3.1Å; R69-I71 HydrophobicContact CG-CG1 4.39Å
70	D	68.3	Low	57.1	Low	102 Å²	102	80.4 Å²	80.4	55%	0.545	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.3	168.8	-55.3	-66.7	0	0	0	109	L52 K53	L52-D70 CarbonylContact O-C 3.52Å; L52-D70 WeakPolarHBondContact O-CA 3.41Å; K53-D70 WeakPolarHBondContact CD-OD1 2.96Å; K53-D70 WeakPolarHBondContact CG-OD1 3.41Å; K53-D70 IonicContact NZ-OD1 3.74Å
71	I	64.3	Low	56.5	Low	17 Å²	17	78.7 Å²	78.7	9%	0.087	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.1	173.7	-59.9	-169.4	0	0	0	107.2	Y30 L52 L54 R69	Y30-I71 HydrophobicContact CD1-CD1 3.74Å; Y30-I71 HydrophobicContact CD1-CG2 4.01Å; Y30-I71 HydrophobicContact CE1-CD1 4.18Å; Y30-I71 HydrophobicContact CE1-CG2 3.38Å; Y30-I71 HydrophobicContact CE2-CG2 4.18Å; Y30-I71 HydrophobicContact CG-CD1 4.06Å; Y30-I71 VanDerWaalsContact CZ-CG2 3.48Å; L52-I71 HydrophobicContact CB-CB 4.13Å; L52-I71 HydrophobicContact CD1-CB 4.36Å; L52-I71 HydrophobicContact CD1-CG2 4.23Å; L52-I71 PolarHBondContact N-O 2.87Å; L52-I71 PolarHBondContact O-N 2.87Å; L54-I71 HydrophobicContact CD1-CD1 3.34Å; L54-I71 HydrophobicContact CD1-CG1 4.02Å; L54-I71 HydrophobicContact CG-CD1 4.48Å; R69-I71 HydrophobicContact CG-CG1 4.39Å
72	E	68.6	Low	55.8	Low	125 Å²	125	81.8 Å²	81.8	58%	0.584	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.1	174.5	-61.6	-171.5	170.9	0	0	107.5	V49 I50 H51	V49-E72 HydrophobicContact CG1-CB 3.74Å; V49-E72 HydrophobicContact CG1-CG 4.35Å; I50-E72 CarbonylContact O-C 3.54Å; I50-E72 WeakPolarHBondContact O-CA 3.06Å; H51-E72 IonicContact CE1-OE1 3.05Å; H51-E72 PolarHBondContact CE1-OE1 3.33Å; H51-E72 IonicContact CE1-OE2 3.99Å; H51-E72 WeakPolarHBondContact ND1-CG 3.3Å; H51-E72 IonicContact ND1-OE1 3.99Å; H51-E72 PolarHBondContact ND1-OE1 2.84Å
73	H	61	Low	56.1	Low	38 Å²	38	83.1 Å²	83.1	18%	0.176	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.7	176	-158	44.8	0	0	0	110.2	Y30 V49 I50 C75 Y81	Y30-H73 AromaticContact CZ-ND1 3.96Å; Y30-H73 WeakPolarHBondContact OH-CB 3.21Å; Y30-H73 PolarHBondContact OH-ND1 3.35Å; V49-H73 CarbonylContact C-O 3.59Å; V49-H73 WeakPolarHBondContact CA-O 3.41Å; I50-H73 HydrophobicContact CB-CB 4.47Å; I50-H73 PolarHBondContact N-O 2.86Å; I50-H73 PolarHBondContact O-N 2.97Å; H73-C75 PolarHBondContact O-N 2.86Å; H73-Y81 AromaticContact CD2-CD1 3.89Å
74	P	60	Low	56.3	Low	84 Å²	84	82.4 Å²	82.4	55%	0.545	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	138.3	170	-19.8	32.1	0	0	0	110	G48	G48-P74 CarbonylContact O-C 3.58Å; G48-P74 WeakPolarHBondContact O-CA 3.37Å
75	C	54.6	Low	56.4	Low	8 Å²	8	80.6 Å²	80.6	5%	0.054	44%	0.436	C	S	.	.			trans	-136.7	162.8	168.6	69.5	0	0	0	0	108.4	S45 G48 I50 H73 T80	S45-C75 PolarHBondContact OG-SG 3.4Å; S45-C75 VanDerWaalsContact OG-SG 3.33Å; G48-C75 CarbonylContact C-O 3.39Å; G48-C75 WeakPolarHBondContact CA-O 3.46Å; G48-C75 PolarHBondContact O-N 2.05Å; I50-C75 HydrophobicContact CD1-CB 3.73Å; I50-C75 HydrophobicContact CG1-CB 3.79Å; H73-C75 PolarHBondContact O-N 2.86Å; C75-T80 WeakPolarHBondContact CB-O 3.4Å
76	D	53.2	Low	56.2	Low	68 Å²	68	81.1 Å²	81.1	36%	0.364	44%	0.436	S	S	.	.			trans	-63	156.8	168.6	-74.6	-47.2	0	0	0	110.6	D78 G79 T80	D76-D78 WeakPolarHBondContact CB-OD1 3.48Å; D76-D78 PolarHBondContact O-N 2.92Å; D76-D78 VanDerWaalsContact O-N 3.12Å; D76-G79 WeakPolarHBondContact O-CA 3.48Å; D76-G79 PolarHBondContact O-N 2.79Å; D76-T80 PolarHBondContact N-O 3.12Å; D76-T80 PolarHBondContact OD2-OG1 2.94Å
77	P	55.7	Low	56.1	Low	119 Å²	119	81.4 Å²	81.4	77%	0.773	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.9	-178.5	-24.9	34.4	0	0	0	114.5	G79	P77-G79 VanDerWaalsContact C-N 3.31Å
78	D	55.2	Low	56.1	Low	104 Å²	104	79.3 Å²	79.3	56%	0.556	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.3	174.9	63.3	-13.8	0	0	0	113.4	F16 D76 T80	F16-D78 WeakPolarHBondContact CZ-O 3.07Å; D76-D78 WeakPolarHBondContact CB-OD1 3.48Å; D76-D78 PolarHBondContact O-N 2.92Å; D76-D78 VanDerWaalsContact O-N 3.12Å; D78-T80 PolarHBondContact OD1-N 3.11Å; D78-T80 PolarHBondContact OD1-OG1 3.37Å
79	G	46.1	Very low	55.8	Low	12 Å²	12	81.9 Å²	81.9	12%	0.124	44%	0.437	C	S	.	.	S	Bend	trans	91.1	7.5	176.9	0	0	0	0	0	114.5	D76 P77	D76-G79 WeakPolarHBondContact O-CA 3.48Å; D76-G79 PolarHBondContact O-N 2.79Å; P77-G79 VanDerWaalsContact C-N 3.31Å
80	T	44.5	Very low	55.5	Low	70 Å²	70	74.6 Å²	74.6	43%	0.429	42%	0.419	S	S	.	.			trans	-77.7	145.9	172.5	48.2	0	0	0	0	112	C75 D76 D78	C75-T80 WeakPolarHBondContact CB-O 3.4Å; D76-T80 PolarHBondContact N-O 3.12Å; D76-T80 PolarHBondContact OD2-OG1 2.94Å; D78-T80 PolarHBondContact OD1-N 3.11Å; D78-T80 PolarHBondContact OD1-OG1 3.37Å
81	Y	46.1	Very low	54.5	Low	66 Å²	66	72.3 Å²	72.3	26%	0.259	41%	0.409	S	S	.	.			trans	-74.4	142.5	175.7	-67.7	-79.1	0	0	0	110.9	L18 D22 L26 I50 H73	L18-Y81 HydrophobicContact CD1-CE2 4.06Å; L18-Y81 WeakPolarHBondContact CD1-OH 3.44Å; L18-Y81 HydrophobicContact CD2-CE2 3.69Å; D22-Y81 HydrophobicContact CB-CE2 4.19Å; L26-Y81 HydrophobicContact CD1-CD1 4.29Å; L26-Y81 HydrophobicContact CD1-CE1 3.29Å; L26-Y81 WeakPolarHBondContact CD1-OH 3.39Å; I50-Y81 HydrophobicContact CD1-CD1 4.31Å; I50-Y81 HydrophobicContact CD1-CE1 3.52Å; H73-Y81 AromaticContact CD2-CD1 3.89Å
82	V	44.5	Very low	53.6	Low	157 Å²	157	77.4 Å²	77.4	95%	0.952	44%	0.438	S	S	*	.			trans	-92.3	0	172.5	-170.1	0	0	0	0	110.5

Retrieved 82 of 82 residues in 78.7 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).