A0A3Q0KLH1_SCHMA Loading...

Short neuropeptide F

AlphaFold DB , UniProt , Accession A0A3Q0KLH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 78 aa.

						>A0A3Q0KLH1_SCHMA|A0A3Q0KLH1
MRFLQILMILVLLSVSSVLPVQSGRMLDLIQRQRILAPNELELDDTLEFQKLLYRPRTAQDPREGYPRFYGSLMRYGR
					

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(Predicted Aligned Error values between residue pairs)

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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	67.8	Low	84.4	Confident	196 Å²	196	128.8 Å²	128.8	97%	0.966	62%	0.623	S	S	*	*				0	-61.4	0	-61	-58.6	-168.2	0	0	112.6	F3 L4	M1-F3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 3.13Å
2	R	81.3	Confident	84.5	Confident	209 Å²	209	127.9 Å²	127.9	79%	0.789	62%	0.623	S	S	*	*	H	α-helix	trans	-60.8	-36.5	-176.4	-64.7	-176.2	179.3	172.9	-0.3	114.8	L4 Q5 I6	R2-L4 PolarHBondContact O-N 3.26Å; R2-Q5 PolarHBondContact O-N 3.39Å; R2-I6 WeakPolarHBondContact O-CG1 3.42Å; R2-I6 PolarHBondContact O-N 2.98Å; R2-I6 VanDerWaalsContact O-N 3.13Å
3	F	82.3	Confident	84.2	Confident	159 Å²	159	126.8 Å²	126.8	70%	0.697	62%	0.62	S	S	*	*	H	α-helix	trans	-61.1	-43.2	179.3	-176.3	-98.3	0	0	0	113.1	M1 Q5 I6 L7	M1-F3 PolarHBondContact O-N 3.32Å; F3-Q5 VanDerWaalsContact C-N 3.3Å; F3-Q5 PolarHBondContact O-N 3.46Å; F3-I6 PolarHBondContact O-N 3.3Å; F3-L7 PolarHBondContact O-N 2.97Å
4	L	87.4	Confident	83.8	Confident	112 Å²	112	121.7 Å²	121.7	59%	0.586	60%	0.604	S	S	*	*	H	α-helix	trans	-62.1	-37	177.1	-86.5	151.7	0	0	0	112.1	M1 R2 L7 M8	M1-L4 PolarHBondContact O-N 3.13Å; R2-L4 PolarHBondContact O-N 3.26Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-M8 WeakPolarHBondContact O-CG 3.27Å; L4-M8 PolarHBondContact O-N 3.24Å
5	Q	85.5	Confident	83	Confident	122 Å²	122	118.7 Å²	118.7	57%	0.57	60%	0.595	S	S	*	*	H	α-helix	trans	-66.3	-44	176.4	-68.1	173.9	-35.4	0	0	111.6	R2 F3 L7 M8 I9	R2-Q5 PolarHBondContact O-N 3.39Å; F3-Q5 VanDerWaalsContact C-N 3.3Å; F3-Q5 PolarHBondContact O-N 3.46Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.47Å; Q5-M8 PolarHBondContact O-N 3.34Å; Q5-I9 WeakPolarHBondContact O-CD1 3.45Å; Q5-I9 VanDerWaalsContact O-CG1 3.27Å; Q5-I9 WeakPolarHBondContact O-CG1 3.35Å; Q5-I9 PolarHBondContact O-N 2.96Å
6	I	88	Confident	82.2	Confident	108 Å²	108	116.3 Å²	116.3	55%	0.554	59%	0.592	S	S	*	*	H	α-helix	trans	-62	-42.9	176.8	-63.2	165.6	0	0	0	110.3	R2 F3 I9 L10	R2-I6 WeakPolarHBondContact O-CG1 3.42Å; R2-I6 PolarHBondContact O-N 2.98Å; R2-I6 VanDerWaalsContact O-N 3.13Å; F3-I6 PolarHBondContact O-N 3.3Å; I6-I9 PolarHBondContact O-N 3.45Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 PolarHBondContact O-N 3.34Å
7	L	90.1	Very high	81.1	Confident	89 Å²	89	113.6 Å²	113.6	47%	0.466	59%	0.587	S	S	.	*	H	α-helix	trans	-61.5	-45.7	176.4	-173.2	71.5	0	0	0	111.7	F3 L4 Q5 I9 L10 V11	F3-L7 PolarHBondContact O-N 2.97Å; L4-L7 PolarHBondContact O-N 3.44Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.47Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 3Å; L7-L10 PolarHBondContact O-N 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 3.45Å
8	M	87.4	Confident	79.9	Confident	127 Å²	127	111.6 Å²	111.6	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-60.2	-43.5	176.6	-79	-164.1	78.6	0	0	112.1	L4 Q5 L10 V11 L12	L4-M8 WeakPolarHBondContact O-CG 3.27Å; L4-M8 PolarHBondContact O-N 3.24Å; Q5-M8 PolarHBondContact O-N 3.34Å; M8-L10 VanDerWaalsContact C-N 3.31Å; M8-L10 PolarHBondContact O-N 2.89Å; M8-V11 PolarHBondContact O-N 3.33Å; M8-L12 WeakPolarHBondContact O-CD1 3.46Å; M8-L12 PolarHBondContact O-N 2.99Å
9	I	86.9	Confident	78.7	Confident	102 Å²	102	111.2 Å²	111.2	52%	0.523	58%	0.578	S	S	.	*	H	α-helix	trans	-61.8	-42.1	177.8	-68.1	163.6	0	0	0	110.6	Q5 I6 L7 V11 L12 L13	Q5-I9 WeakPolarHBondContact O-CD1 3.45Å; Q5-I9 VanDerWaalsContact O-CG1 3.27Å; Q5-I9 WeakPolarHBondContact O-CG1 3.35Å; Q5-I9 PolarHBondContact O-N 2.96Å; I6-I9 PolarHBondContact O-N 3.45Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 3Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 3.05Å; I9-L12 PolarHBondContact O-N 2.91Å; I9-L13 HydrophobicContact CG2-CD1 3.77Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 3.27Å
10	L	87.8	Confident	77.7	Confident	114 Å²	114	109.5 Å²	109.5	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-66.5	-37	179.9	-159	142.7	0	0	0	112	I6 L7 M8 S14	I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.25Å; M8-L10 VanDerWaalsContact C-N 3.31Å; M8-L10 PolarHBondContact O-N 2.89Å; L10-S14 PolarHBondContact O-N 3.08Å
11	V	84.4	Confident	76.8	Confident	79 Å²	79	108.8 Å²	108.8	48%	0.479	57%	0.574	S	S	.	*	H	α-helix	trans	-67.8	-41.6	172.7	174.3	0	0	0	0	111.5	L7 M8 I9 L13 S14 V15	L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 3.45Å; M8-V11 PolarHBondContact O-N 3.33Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 3.05Å; V11-L13 VanDerWaalsContact C-N 3.35Å; V11-L13 PolarHBondContact O-N 3.48Å; V11-S14 PolarHBondContact O-N 3.32Å; V11-S14 PolarHBondContact O-OG 3.48Å; V11-V15 WeakPolarHBondContact O-CG2 3.35Å; V11-V15 PolarHBondContact O-N 2.92Å
12	L	84.6	Confident	76.3	Confident	118 Å²	118	105.4 Å²	105.4	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-63.1	-41.1	175.8	-99.6	121.4	0	0	0	112.1	M8 I9 V15 S16	M8-L12 WeakPolarHBondContact O-CD1 3.46Å; M8-L12 PolarHBondContact O-N 2.99Å; I9-L12 PolarHBondContact O-N 2.91Å; L12-V15 PolarHBondContact O-N 2.93Å; L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 3.48Å
13	L	81.6	Confident	75.2	Confident	113 Å²	113	98.2 Å²	98.2	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-64.3	-39.3	175.8	-83.5	157.3	0	0	0	112.3	I9 V11 S17	I9-L13 HydrophobicContact CG2-CD1 3.77Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 3.27Å; V11-L13 VanDerWaalsContact C-N 3.35Å; V11-L13 PolarHBondContact O-N 3.48Å; L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 2.85Å; L13-S17 PolarHBondContact O-OG 3.13Å
14	S	78	Confident	74.2	Confident	56 Å²	56	92.5 Å²	92.5	39%	0.392	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-41.7	178.2	68.5	0	0	0	0	111.5	L10 V11 S17 V18	L10-S14 PolarHBondContact O-N 3.08Å; V11-S14 PolarHBondContact O-N 3.32Å; V11-S14 PolarHBondContact O-OG 3.48Å; S14-S17 PolarHBondContact O-N 3.44Å; S14-S17 PolarHBondContact O-OG 3.17Å; S14-S17 VanDerWaalsContact O-OG 3.08Å; S14-V18 WeakPolarHBondContact O-CG2 3.35Å; S14-V18 PolarHBondContact O-N 3.04Å; S14-V18 VanDerWaalsContact O-N 3.17Å
15	V	71.7	Confident	72.8	Confident	77 Å²	77	96 Å²	96	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175.7	176.3	0	0	0	0	111	V11 L12 S17 V18 L19	V11-V15 WeakPolarHBondContact O-CG2 3.35Å; V11-V15 PolarHBondContact O-N 2.92Å; L12-V15 PolarHBondContact O-N 2.93Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.36Å; V15-V18 PolarHBondContact O-N 3.07Å; V15-L19 HydrophobicContact CG1-CD1 3.76Å; V15-L19 HydrophobicContact CG1-CG 4.32Å; V15-L19 WeakPolarHBondContact O-CD1 3.21Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 3.36Å; V15-L19 VanDerWaalsContact O-N 3.13Å
16	S	69.8	Low	71.5	Confident	79 Å²	79	96 Å²	96	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-66.6	-28.6	180	-172.3	0	0	0	0	114	L12 P20	L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 3.48Å; S16-P20 WeakPolarHBondContact O-CD 3.06Å
17	S	64.5	Low	70.2	Confident	72 Å²	72	95.8 Å²	95.8	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-85.3	-25.5	178.5	52.7	0	0	0	0	113.1	L13 S14 V15 P20	L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 2.85Å; L13-S17 PolarHBondContact O-OG 3.13Å; S14-S17 PolarHBondContact O-N 3.44Å; S14-S17 PolarHBondContact O-OG 3.17Å; S14-S17 VanDerWaalsContact O-OG 3.08Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.36Å; S17-P20 WeakPolarHBondContact O-CD 3.46Å
18	V	59.8	Low	68.9	Low	77 Å²	77	94.8 Å²	94.8	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-83.1	-32.9	178.6	174.9	0	0	0	0	112.6	S14 V15 V21 Q22	S14-V18 WeakPolarHBondContact O-CG2 3.35Å; S14-V18 PolarHBondContact O-N 3.04Å; S14-V18 VanDerWaalsContact O-N 3.17Å; V15-V18 PolarHBondContact O-N 3.07Å; V18-V21 PolarHBondContact O-N 3.38Å; V18-Q22 PolarHBondContact O-N 3.18Å
19	L	56.1	Low	67.5	Low	103 Å²	103	93.8 Å²	93.8	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-55.4	-46.4	177.7	-77.4	162.3	0	0	0	115	V15 V21 Q22 S23	V15-L19 HydrophobicContact CG1-CD1 3.76Å; V15-L19 HydrophobicContact CG1-CG 4.32Å; V15-L19 WeakPolarHBondContact O-CD1 3.21Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 3.36Å; V15-L19 VanDerWaalsContact O-N 3.13Å; L19-V21 VanDerWaalsContact C-N 3.3Å; L19-V21 PolarHBondContact O-N 3.18Å; L19-Q22 PolarHBondContact O-N 3.37Å; L19-S23 PolarHBondContact O-N 3.5Å; L19-S23 PolarHBondContact O-OG 3.33Å
20	P	59.1	Low	66.2	Low	77 Å²	77	93.6 Å²	93.6	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-71.4	-21.7	-178.8	25.8	-33.8	0	0	0	113.7	S16 S17 S23 G24	S16-P20 WeakPolarHBondContact O-CD 3.06Å; S17-P20 WeakPolarHBondContact O-CD 3.46Å; P20-S23 PolarHBondContact O-OG 3.29Å; P20-G24 PolarHBondContact O-N 3.34Å
21	V	58.8	Low	64.9	Low	95 Å²	95	95 Å²	95	58%	0.576	53%	0.525	S	S	*	.	H	α-helix	trans	-78.3	-31.8	177.5	-177.8	0	0	0	0	111.2	V18 L19	V18-V21 PolarHBondContact O-N 3.38Å; L19-V21 VanDerWaalsContact C-N 3.3Å; L19-V21 PolarHBondContact O-N 3.18Å
22	Q	57.7	Low	63.7	Low	125 Å²	125	100.1 Å²	100.1	58%	0.584	54%	0.535	S	S	*	.	H	α-helix	trans	-76.2	-38	175.2	-71.9	-173.8	-18.1	0	0	112.4	V18 L19 R25 M26	V18-Q22 PolarHBondContact O-N 3.18Å; L19-Q22 PolarHBondContact O-N 3.37Å; Q22-R25 PolarHBondContact O-N 2.94Å; Q22-M26 PolarHBondContact O-N 3.35Å
23	S	57.9	Low	62.4	Low	58 Å²	58	101.5 Å²	101.5	41%	0.406	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-36.2	178.5	63.8	0	0	0	0	112.6	L19 P20 R25 M26 L27	L19-S23 PolarHBondContact O-N 3.5Å; L19-S23 PolarHBondContact O-OG 3.33Å; P20-S23 PolarHBondContact O-OG 3.29Å; S23-R25 PolarHBondContact O-N 3.47Å; S23-M26 PolarHBondContact O-N 2.84Å; S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 3.31Å
24	G	61	Low	61.1	Low	40 Å²	40	106.8 Å²	106.8	41%	0.412	55%	0.551	S	S	.	*	H	α-helix	trans	-62.4	-39.7	174.3	0	0	0	0	0	113.1	P20 D28	P20-G24 PolarHBondContact O-N 3.34Å; G24-D28 PolarHBondContact O-N 3.32Å
25	R	58.4	Low	60	Low	186 Å²	186	111.3 Å²	111.3	70%	0.702	57%	0.569	S	S	*	*	H	α-helix	trans	-72.6	-37	174.4	-73.5	-172.1	176.6	-178.9	0.3	112.7	Q22 S23 L27 D28 L29	Q22-R25 PolarHBondContact O-N 2.94Å; S23-R25 PolarHBondContact O-N 3.47Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-D28 PolarHBondContact O-N 2.81Å; R25-L29 WeakPolarHBondContact O-CB 3.37Å; R25-L29 VanDerWaalsContact O-CG 3.24Å; R25-L29 WeakPolarHBondContact O-CG 3.31Å; R25-L29 PolarHBondContact O-N 3.38Å
26	M	57.9	Low	59	Low	120 Å²	120	114 Å²	114	59%	0.591	58%	0.58	S	S	*	*	H	α-helix	trans	-64	-40.6	172.7	-87.8	-175.8	80.8	0	0	111.4	Q22 S23 L29 I30	Q22-M26 PolarHBondContact O-N 3.35Å; S23-M26 PolarHBondContact O-N 2.84Å; M26-L29 PolarHBondContact O-N 3.02Å; M26-I30 WeakPolarHBondContact O-CB 3.41Å; M26-I30 WeakPolarHBondContact O-CD1 3.38Å; M26-I30 WeakPolarHBondContact O-CG1 3.16Å; M26-I30 PolarHBondContact O-N 2.95Å
27	L	60.1	Low	58.2	Low	104 Å²	104	112.4 Å²	112.4	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-66.8	-40.3	176.7	-75.1	167.8	0	0	0	112.1	S23 R25 L29 I30 Q31	S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 3.31Å; R25-L27 VanDerWaalsContact C-N 3.34Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-Q31 VanDerWaalsContact O-CB 3.31Å; L27-Q31 WeakPolarHBondContact O-CB 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.41Å; L27-Q31 PolarHBondContact O-N 2.95Å
28	D	62.7	Low	57.8	Low	69 Å²	69	114.3 Å²	114.3	37%	0.369	58%	0.582	S	S	.	*	H	α-helix	trans	-64	-39.2	173.2	-171.6	25.8	0	0	0	111.3	G24 R25 R32	G24-D28 PolarHBondContact O-N 3.32Å; R25-D28 PolarHBondContact O-N 2.81Å; D28-R32 WeakPolarHBondContact O-CB 3.24Å; D28-R32 VanDerWaalsContact O-CG 3.24Å; D28-R32 WeakPolarHBondContact O-CG 3.4Å; D28-R32 PolarHBondContact O-N 2.82Å; D28-R32 IonicContact OD1-CZ 3.71Å; D28-R32 IonicContact OD1-NE 3.04Å; D28-R32 PolarHBondContact OD1-NE 3.38Å; D28-R32 IonicContact OD1-NH2 3.49Å; D28-R32 PolarHBondContact OD1-NH2 2.78Å; D28-R32 IonicContact OD2-CZ 3.47Å; D28-R32 IonicContact OD2-NE 3.46Å; D28-R32 PolarHBondContact OD2-NE 3.31Å; D28-R32 IonicContact OD2-NH2 2.89Å; D28-R32 PolarHBondContact OD2-NH2 3.05Å
29	L	59.5	Low	57.5	Low	106 Å²	106	117.6 Å²	117.6	56%	0.555	60%	0.597	S	S	*	*	H	α-helix	trans	-67.4	-40.9	174.6	-72.6	169.7	0	0	0	112.8	R25 M26 L27 R32 Q33	R25-L29 WeakPolarHBondContact O-CB 3.37Å; R25-L29 VanDerWaalsContact O-CG 3.24Å; R25-L29 WeakPolarHBondContact O-CG 3.31Å; R25-L29 PolarHBondContact O-N 3.38Å; M26-L29 PolarHBondContact O-N 3.02Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L29-R32 PolarHBondContact O-N 2.87Å; L29-Q33 WeakPolarHBondContact O-CB 3.4Å; L29-Q33 WeakPolarHBondContact O-CG 3.47Å; L29-Q33 PolarHBondContact O-N 3.13Å
30	I	59.3	Low	57.2	Low	97 Å²	97	119.2 Å²	119.2	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-69.3	-38.8	177.3	-68.7	163.2	0	0	0	110.5	M26 L27 R32 Q33	M26-I30 WeakPolarHBondContact O-CB 3.41Å; M26-I30 WeakPolarHBondContact O-CD1 3.38Å; M26-I30 WeakPolarHBondContact O-CG1 3.16Å; M26-I30 PolarHBondContact O-N 2.95Å; L27-I30 PolarHBondContact O-N 3.47Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-Q33 CarbonylContact O-C 3.47Å; I30-Q33 PolarHBondContact O-N 3.08Å
31	Q	60.2	Low	56.8	Low	145 Å²	145	122.2 Å²	122.2	68%	0.678	61%	0.613	S	S	*	*	H	α-helix	trans	-65.2	-36.9	173.7	-81.4	-174.7	-18.4	0	0	112.2	L27 R34	L27-Q31 VanDerWaalsContact O-CB 3.31Å; L27-Q31 WeakPolarHBondContact O-CB 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.41Å; L27-Q31 PolarHBondContact O-N 2.95Å; Q31-R34 WeakPolarHBondContact O-CB 3.34Å; Q31-R34 PolarHBondContact O-N 3.25Å
32	R	58.6	Low	56.4	Low	185 Å²	185	125.3 Å²	125.3	70%	0.698	62%	0.621	S	S	*	*	H	α-helix	trans	-74	-26.3	173.2	-71.7	175.8	-163.7	-152.5	8.6	113.2	D28 L29 I30 R34	D28-R32 WeakPolarHBondContact O-CB 3.24Å; D28-R32 VanDerWaalsContact O-CG 3.24Å; D28-R32 WeakPolarHBondContact O-CG 3.4Å; D28-R32 PolarHBondContact O-N 2.82Å; D28-R32 IonicContact OD1-CZ 3.71Å; D28-R32 IonicContact OD1-NE 3.04Å; D28-R32 PolarHBondContact OD1-NE 3.38Å; D28-R32 IonicContact OD1-NH2 3.49Å; D28-R32 PolarHBondContact OD1-NH2 2.78Å; D28-R32 IonicContact OD2-CZ 3.47Å; D28-R32 IonicContact OD2-NE 3.46Å; D28-R32 PolarHBondContact OD2-NE 3.31Å; D28-R32 IonicContact OD2-NH2 2.89Å; D28-R32 PolarHBondContact OD2-NH2 3.05Å; L29-R32 PolarHBondContact O-N 2.87Å; I30-R32 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 2.91Å; R32-R34 VanDerWaalsContact O-N 3.13Å
33	Q	58.5	Low	56.3	Low	147 Å²	147	124.1 Å²	124.1	69%	0.687	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	24.5	168.5	-75.8	-175.1	-7.2	0	0	112.5	L29 I30 I35	L29-Q33 WeakPolarHBondContact O-CB 3.4Å; L29-Q33 WeakPolarHBondContact O-CG 3.47Å; L29-Q33 PolarHBondContact O-N 3.13Å; I30-Q33 CarbonylContact O-C 3.47Å; I30-Q33 PolarHBondContact O-N 3.08Å; Q33-I35 PolarHBondContact O-N 2.89Å
34	R	54.6	Low	56.2	Low	225 Å²	225	128.2 Å²	128.2	85%	0.849	64%	0.636	S	S	*	*			trans	-43.4	107.3	172.9	-148.3	-178	-167.7	-173.6	3.2	107.9	Q31 R32 L36	Q31-R34 WeakPolarHBondContact O-CB 3.34Å; Q31-R34 PolarHBondContact O-N 3.25Å; R32-R34 PolarHBondContact O-N 2.91Å; R32-R34 VanDerWaalsContact O-N 3.13Å; R34-L36 PolarHBondContact O-N 2.84Å
35	I	54.6	Low	56	Low	151 Å²	151	130.7 Å²	130.7	77%	0.774	64%	0.64	S	S	*	*			trans	-48.9	112.2	-172.4	-66.1	152.3	0	0	0	106.8	Q33 A37	Q33-I35 PolarHBondContact O-N 2.89Å; I35-A37 PolarHBondContact O-N 3.49Å; I35-A37 VanDerWaalsContact O-N 3.08Å
36	L	50.6	Low	55.9	Low	132 Å²	132	126.8 Å²	126.8	69%	0.691	64%	0.637	S	S	*	*			trans	-47.5	119.3	163.7	-81.8	149.6	0	0	0	105.7	R34	R34-L36 PolarHBondContact O-N 2.84Å
37	A	53.2	Low	55.8	Low	46 Å²	46	126.3 Å²	126.3	38%	0.38	64%	0.636	S	S	.	*			trans	-54.8	137.7	-178.3	0	0	0	0	0	107.8	I35 N39 E40	I35-A37 PolarHBondContact O-N 3.49Å; I35-A37 VanDerWaalsContact O-N 3.08Å; A37-N39 PolarHBondContact O-N 3.46Å; A37-E40 PolarHBondContact O-N 3.04Å
38	P	54.9	Low	55.6	Low	112 Å²	112	125.2 Å²	125.2	73%	0.727	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-6.6	179.2	23.4	-32.6	0	0	0	113.5
39	N	54	Low	55.3	Low	146 Å²	146	127.2 Å²	127.2	78%	0.781	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-3.4	174.8	-79.4	8	0	0	0	114.8	A37	A37-N39 PolarHBondContact O-N 3.46Å
40	E	49.6	Very low	55.2	Low	138 Å²	138	128.5 Å²	128.5	65%	0.645	64%	0.637	S	S	*	*	S	Bend	trans	-96.4	1	170.6	-67.7	-176.6	174.4	0	0	112	A37 E42	A37-E40 PolarHBondContact O-N 3.04Å; E40-E42 PolarHBondContact O-N 3.07Å; E40-E42 VanDerWaalsContact O-N 3.07Å
41	L	50.6	Low	55.2	Low	140 Å²	140	130 Å²	130	73%	0.733	64%	0.64	S	S	*	*			trans	-83.3	46.5	170.1	-132.1	100	0	0	0	110.2	L43	L41-L43 PolarHBondContact O-N 2.92Å; L41-L43 VanDerWaalsContact O-N 3.16Å
42	E	51	Low	55	Low	159 Å²	159	129.6 Å²	129.6	74%	0.743	64%	0.642	S	S	*	*			trans	-62.5	119.2	163.5	-73.3	-170.1	160.7	0	0	106.4	E40 D44	E40-E42 PolarHBondContact O-N 3.07Å; E40-E42 VanDerWaalsContact O-N 3.07Å; E42-D44 PolarHBondContact O-N 3.14Å
43	L	55.7	Low	55.1	Low	100 Å²	100	127.4 Å²	127.4	52%	0.524	64%	0.643	S	S	.	*			trans	-69.1	69.2	-177.2	-159.2	79.6	0	0	0	108.7	L41 D45 F49	L41-L43 PolarHBondContact O-N 2.92Å; L41-L43 VanDerWaalsContact O-N 3.16Å; L43-D45 PolarHBondContact O-N 2.97Å; L43-F49 HydrophobicContact CD1-CD2 3.67Å; L43-F49 HydrophobicContact CD1-CE2 3.27Å; L43-F49 HydrophobicContact CD1-CZ 4.09Å; L43-F49 HydrophobicContact CD2-CD2 4.27Å; L43-F49 HydrophobicContact CG-CD2 4.17Å; L43-F49 HydrophobicContact CG-CE2 4.26Å
44	D	55.9	Low	54.9	Low	145 Å²	145	129.5 Å²	129.5	78%	0.775	65%	0.646	S	S	*	*			trans	-68.9	-4	-166	-142	12.1	0	0	0	113	E42	E42-D44 PolarHBondContact O-N 3.14Å
45	D	55.7	Low	54.9	Low	91 Å²	91	129.7 Å²	129.7	49%	0.487	65%	0.646	S	S	.	*			trans	-142.8	95.6	171.2	-87.8	-48.6	0	0	0	111.7	L43 L47 E48	L43-D45 PolarHBondContact O-N 2.97Å; D45-L47 HydrophobicContact CB-CB 4.46Å; D45-L47 PolarHBondContact O-N 3.33Å; D45-E48 HydrophobicContact CB-CB 3.95Å; D45-E48 HydrophobicContact CB-CG 3.67Å; D45-E48 PolarHBondContact O-N 3.25Å
46	T	56.4	Low	55	Low	104 Å²	104	127.6 Å²	127.6	64%	0.638	64%	0.643	S	S	*	*	H	α-helix	trans	-53.8	-23.5	162.6	-44.2	0	0	0	0	110.8	Q50	T46-Q50 PolarHBondContact O-N 2.74Å
47	L	56.6	Low	55.1	Low	110 Å²	110	132.5 Å²	132.5	58%	0.576	65%	0.652	S	S	*	*	H	α-helix	trans	-68.8	-35.5	175.8	-123	118.4	0	0	0	113.7	D45 Q50 K51	D45-L47 HydrophobicContact CB-CB 4.46Å; D45-L47 PolarHBondContact O-N 3.33Å; L47-Q50 PolarHBondContact O-N 3.36Å; L47-K51 PolarHBondContact O-N 3.23Å
48	E	56.6	Low	54.8	Low	81 Å²	81	136.5 Å²	136.5	38%	0.379	67%	0.672	S	S	.	*	H	α-helix	trans	-72.8	-32.5	178.1	-75.2	-66.8	127.7	0	0	111.2	D45 K51 L52	D45-E48 HydrophobicContact CB-CB 3.95Å; D45-E48 HydrophobicContact CB-CG 3.67Å; D45-E48 PolarHBondContact O-N 3.25Å; E48-K51 PolarHBondContact O-N 3.42Å; E48-K51 IonicContact OE1-NZ 2.71Å; E48-K51 PolarHBondContact OE1-NZ 3.42Å; E48-L52 PolarHBondContact O-N 3.36Å
49	F	56.1	Low	54.4	Low	111 Å²	111	135.1 Å²	135.1	49%	0.487	67%	0.67	S	S	.	*	H	α-helix	trans	-66.4	-35.7	171.3	-101.9	-96	0	0	0	112.9	L43 L52 L53	L43-F49 HydrophobicContact CD1-CD2 3.67Å; L43-F49 HydrophobicContact CD1-CE2 3.27Å; L43-F49 HydrophobicContact CD1-CZ 4.09Å; L43-F49 HydrophobicContact CD2-CD2 4.27Å; L43-F49 HydrophobicContact CG-CD2 4.17Å; L43-F49 HydrophobicContact CG-CE2 4.26Å; F49-L52 PolarHBondContact O-N 3.16Å; F49-L53 PolarHBondContact O-N 3.26Å
50	Q	56.7	Low	53.9	Low	134 Å²	134	137.2 Å²	137.2	63%	0.626	68%	0.675	S	S	*	*	H	α-helix	trans	-67.2	-35.8	174.9	-87.3	-174.7	1.6	0	0	112.6	T46 L47 L52 L53 Y54	T46-Q50 PolarHBondContact O-N 2.74Å; L47-Q50 PolarHBondContact O-N 3.36Å; Q50-L52 VanDerWaalsContact C-N 3.31Å; Q50-L52 PolarHBondContact O-N 3.35Å; Q50-L53 PolarHBondContact O-N 3.36Å; Q50-Y54 WeakPolarHBondContact O-CB 3.2Å; Q50-Y54 PolarHBondContact O-N 3.32Å
51	K	58.8	Low	53.8	Low	128 Å²	128	137 Å²	137	56%	0.557	68%	0.678	S	S	*	*	H	α-helix	trans	-64.7	-33.7	176.6	-70.5	176.4	-170.7	165.4	0	112.8	L47 E48	L47-K51 PolarHBondContact O-N 3.23Å; E48-K51 PolarHBondContact O-N 3.42Å; E48-K51 IonicContact OE1-NZ 2.71Å; E48-K51 PolarHBondContact OE1-NZ 3.42Å
52	L	56.5	Low	53.9	Low	137 Å²	137	136.4 Å²	136.4	72%	0.717	68%	0.683	S	S	*	*	H	α-helix	trans	-73.5	-27.3	176.7	-73.9	164.6	0	0	0	113.1	E48 F49 Q50	E48-L52 PolarHBondContact O-N 3.36Å; F49-L52 PolarHBondContact O-N 3.16Å; Q50-L52 VanDerWaalsContact C-N 3.31Å; Q50-L52 PolarHBondContact O-N 3.35Å
53	L	59.7	Low	53.9	Low	139 Å²	139	140 Å²	140	73%	0.728	69%	0.69	S	S	*	*	H	α-helix	trans	-92.7	-14.3	179.2	-76.1	157.5	0	0	0	113.2	F49 Q50 R55	F49-L53 PolarHBondContact O-N 3.26Å; Q50-L53 PolarHBondContact O-N 3.36Å; L53-R55 VanDerWaalsContact C-N 3.31Å; L53-R55 PolarHBondContact O-N 2.99Å
54	Y	54.6	Low	53.4	Low	191 Å²	191	143.4 Å²	143.4	75%	0.749	70%	0.703	S	S	*	*			trans	-76.9	80.7	178.1	-144.8	-89.6	0	0	0	110.9	Q50 P56	Q50-Y54 WeakPolarHBondContact O-CB 3.2Å; Q50-Y54 PolarHBondContact O-N 3.32Å; Y54-P56 WeakPolarHBondContact O-CD 3.42Å
55	R	55.4	Low	52.6	Low	228 Å²	228	139.8 Å²	139.8	86%	0.86	70%	0.7	S	S	*	*			trans	-82.1	108	168.8	-164.7	178.7	-157.4	170.3	5.8	108.6	L53 R57	L53-R55 VanDerWaalsContact C-N 3.31Å; L53-R55 PolarHBondContact O-N 2.99Å; R55-R57 PolarHBondContact O-N 3.04Å; R55-R57 VanDerWaalsContact O-N 3.14Å
56	P	55.8	Low	52	Low	107 Å²	107	145.8 Å²	145.8	70%	0.695	72%	0.717	S	S	*	*			trans	-62.8	120.5	176.4	23.9	-30.8	0	0	0	109.4	Y54 T58	Y54-P56 WeakPolarHBondContact O-CD 3.42Å; P56-T58 PolarHBondContact O-N 2.97Å
57	R	53.5	Low	51.8	Low	236 Å²	236	145.8 Å²	145.8	89%	0.891	72%	0.719	S	S	*	*			trans	-75.3	99.7	171.4	-73	-177.9	175.1	176.4	-1.3	108.1	R55	R55-R57 PolarHBondContact O-N 3.04Å; R55-R57 VanDerWaalsContact O-N 3.14Å
58	T	47	Very low	51.3	Low	130 Å²	130	151.6 Å²	151.6	80%	0.798	73%	0.733	S	S	*	*			trans	58.3	108.3	163.3	28.9	0	0	0	0	116.7	P56	P56-T58 PolarHBondContact O-N 2.97Å
59	A	45.6	Very low	50.9	Low	83 Å²	83	155.5 Å²	155.5	69%	0.686	75%	0.749	S	S	*	*				87.1	102.1	71.4	0	0	0	0	0	113.4
60	Q	45.3	Very low	50.3	Low	189 Å²	189	162 Å²	162	88%	0.883	77%	0.773	S	S	*	*			trans	176.8	85	160.4	-100.4	157.9	44.6	0	0	109.7
61	D	47.4	Very low	49.6	Very low	133 Å²	133	159.1 Å²	159.1	71%	0.711	78%	0.778	S	S	*	*			trans	178.4	123.5	131.4	-103.9	-37.6	0	0	0	111.6	R63	D61-R63 PolarHBondContact O-N 2.89Å
62	P	50.8	Low	48.9	Very low	128 Å²	128	157.5 Å²	157.5	83%	0.831	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	11	-174.5	33.2	-34.8	0	0	0	114.1
63	R	52.3	Low	48.6	Very low	236 Å²	236	158.6 Å²	158.6	89%	0.891	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-11.9	-176	-71.6	-173	175.6	-173.6	0.2	114.8	D61	D61-R63 PolarHBondContact O-N 2.89Å
64	E	44.6	Very low	48	Very low	170 Å²	170	161.3 Å²	161.3	79%	0.794	80%	0.8	S	S	*	*	S	Bend	trans	-99.2	98.4	172.6	-74.5	-176.7	165.2	0	0	108.7	Y66	E64-Y66 PolarHBondContact O-N 3.06Å
65	G	40.2	Very low	47.6	Very low	69 Å²	69	161.7 Å²	161.7	71%	0.711	80%	0.8	S	S	*	*			trans	-52	117.5	172.6	0	0	0	0	0	109.3	P67	G65-P67 VanDerWaalsContact O-CD 3.26Å; G65-P67 WeakPolarHBondContact O-CD 3.26Å
66	Y	42.7	Very low	47.2	Very low	217 Å²	217	161.3 Å²	161.3	85%	0.851	80%	0.8	S	S	*	*			trans	-35.6	112.5	167.1	-85	-94.5	0	0	0	109.6	E64 R68	E64-Y66 PolarHBondContact O-N 3.06Å; Y66-R68 VanDerWaalsContact C-N 3.32Å; Y66-R68 PolarHBondContact O-N 2.76Å
67	P	50.7	Low	46.7	Very low	105 Å²	105	159.8 Å²	159.8	68%	0.682	80%	0.804	S	S	*	*			trans	-65.7	105.9	165	-7.9	23.1	0	0	0	104.9	G65 F69	G65-P67 VanDerWaalsContact O-CD 3.26Å; G65-P67 WeakPolarHBondContact O-CD 3.26Å; P67-F69 HydrophobicContact CB-CD2 3.8Å; P67-F69 HydrophobicContact CB-CE2 4.49Å; P67-F69 PolarHBondContact O-N 2.71Å
68	R	46.5	Very low	46	Very low	231 Å²	231	164.2 Å²	164.2	87%	0.872	82%	0.821	S	S	*	*			trans	-59.9	77.9	164.2	-70.9	177.7	174.6	177.6	-2	108.2	Y66	Y66-R68 VanDerWaalsContact C-N 3.32Å; Y66-R68 PolarHBondContact O-N 2.76Å
69	F	48	Very low	46	Very low	164 Å²	164	165.9 Å²	165.9	72%	0.719	82%	0.822	S	S	*	*			trans	-134.4	45.2	172.8	-72.1	-75.3	0	0	0	111.2	P67 G71	P67-F69 HydrophobicContact CB-CD2 3.8Å; P67-F69 HydrophobicContact CB-CE2 4.49Å; P67-F69 PolarHBondContact O-N 2.71Å; F69-G71 PolarHBondContact O-N 3.24Å
70	Y	44.4	Very low	46	Very low	248 Å²	248	170.3 Å²	170.3	97%	0.973	83%	0.829	S	S	*	*	S	Bend	trans	-73	97.9	139.1	-91.1	-89.1	0	0	0	107
71	G	41.3	Very low	46	Very low	72 Å²	72	169.2 Å²	169.2	74%	0.742	83%	0.826	S	S	*	*	S	Bend	trans	132.3	62.3	168.2	0	0	0	0	0	114.8	F69	F69-G71 PolarHBondContact O-N 3.24Å
72	S	44.4	Very low	46	Very low	94 Å²	94	171.4 Å²	171.4	66%	0.657	83%	0.833	S	S	*	*	S	Bend	trans	-163.8	26.3	163.6	-162.5	0	0	0	0	116.1
73	L	51.1	Low	45.7	Very low	160 Å²	160	174.1 Å²	174.1	84%	0.838	83%	0.833	S	S	*	*	S	Bend	trans	-131.4	13.7	-175.2	-80.5	168.7	0	0	0	116.9
74	M	45.7	Very low	45.2	Very low	196 Å²	196	169.9 Å²	169.9	97%	0.966	83%	0.829	S	S	*	*	S	Bend	trans	-113.1	18.3	170.2	-75.3	-153.1	170.3	0	0	114.2
75	R	47	Very low	45.3	Very low	199 Å²	199	169.9 Å²	169.9	75%	0.751	83%	0.831	S	S	*	*	S	Bend	trans	-132.3	124.8	173.3	-102.5	-178.9	173.9	-170	-1	106.4
76	Y	46	Very low	45.6	Very low	220 Å²	220	177.7 Å²	177.7	86%	0.863	84%	0.841	S	S	*	*			trans	75.1	112.1	178.2	-45.5	-80	0	0	0	112.5
77	G	45.7	Very low	45.9	Very low	75 Å²	75	174.4 Å²	174.4	77%	0.773	84%	0.84	S	S	*	*			cis	145.6	133.1	12.5	0	0	0	0	0	108.8
78	R	39.9	Very low	45.5	Very low	329 Å²	329	180.7 Å²	180.7	100%	1.242	85%	0.854	S	S	*	*			trans	-163.6	0	134.1	-114.3	-177.4	-176.3	-179.4	2.4	108.6

Retrieved 78 of 78 residues in 78.8 ms (Link to these results)

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