G4VAQ7_SCHMA Loading...

Smp_200530

AlphaFold DB , UniProt , Accession G4VAQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 aa.

						>G4VAQ7_SCHMA|G4VAQ7
MKIYFILLIVLYLSVLSSGHMDDDIYQSEHGLYLTYPYMSDDHMIDFLDSKAKHSALETKQRWYPNNLENLDKNKVFYVHRRRFTRPYGR
					

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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	61.3	Low	80.1	Confident	197 Å²	197	129.5 Å²	129.5	97%	0.97	63%	0.629	S	S	*	*				0	-49	0	-61.2	-51.7	-129.6	0	0	113.6	I3 Y4	M1-I3 PolarHBondContact O-N 2.72Å; M1-Y4 PolarHBondContact O-N 2.69Å
2	K	70.2	Confident	80.3	Confident	187 Å²	187	130.8 Å²	130.8	81%	0.813	62%	0.624	S	S	*	*	H	α-helix	trans	-60.8	-34.9	-175	-62.7	-178.2	179.7	179.8	0	115	F5	K2-F5 PolarHBondContact O-N 2.67Å
3	I	79.5	Confident	80.2	Confident	133 Å²	133	128.6 Å²	128.6	68%	0.682	62%	0.617	S	S	*	*	H	α-helix	trans	-69	-40.8	-177.7	-61.6	169	0	0	0	111.9	M1 F5 I6 L7	M1-I3 PolarHBondContact O-N 2.72Å; I3-F5 VanDerWaalsContact C-N 3.26Å; I3-F5 PolarHBondContact O-N 2.81Å; I3-I6 PolarHBondContact O-N 3.23Å; I3-L7 PolarHBondContact O-N 3.02Å
4	Y	81.3	Confident	79.8	Confident	176 Å²	176	123.1 Å²	123.1	69%	0.69	60%	0.599	S	S	*	*	H	α-helix	trans	-63.9	-32.4	179.6	-61.3	-66	0	0	0	112.6	M1 L7 L8	M1-Y4 PolarHBondContact O-N 2.69Å; Y4-L7 PolarHBondContact O-N 3.07Å; Y4-L8 PolarHBondContact O-N 3.38Å; Y4-L8 VanDerWaalsContact O-N 3.1Å
5	F	78.9	Confident	79.4	Confident	142 Å²	142	121.1 Å²	121.1	62%	0.623	60%	0.597	S	S	*	*	H	α-helix	trans	-66.4	-42.8	178	-173.7	-102.4	0	0	0	112.1	K2 I3 L7 L8 I9	K2-F5 PolarHBondContact O-N 2.67Å; I3-F5 VanDerWaalsContact C-N 3.26Å; I3-F5 PolarHBondContact O-N 2.81Å; F5-L7 VanDerWaalsContact C-N 3.31Å; F5-L7 PolarHBondContact O-N 3.06Å; F5-L8 PolarHBondContact O-N 2.89Å; F5-I9 HydrophobicContact CD1-CD1 3.75Å; F5-I9 HydrophobicContact CE1-CD1 3.38Å; F5-I9 HydrophobicContact CE1-CG1 4.44Å; F5-I9 HydrophobicContact CZ-CD1 3.94Å; F5-I9 WeakPolarHBondContact O-CG1 3.46Å; F5-I9 PolarHBondContact O-N 3.45Å
6	I	85	Confident	78.5	Confident	108 Å²	108	118.9 Å²	118.9	55%	0.554	59%	0.588	S	S	*	*	H	α-helix	trans	-64.2	-41	176.8	-62.1	169.1	0	0	0	110.2	I3 L8 I9 V10	I3-I6 PolarHBondContact O-N 3.23Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 3.15Å; I6-I9 PolarHBondContact O-N 3.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.15Å; I6-V10 PolarHBondContact O-N 3.22Å
7	L	84.9	Confident	77.5	Confident	99 Å²	99	116 Å²	116	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-63.3	-38.5	-179.8	-144.6	153.1	0	0	0	111.9	I3 Y4 F5 V10 L11	I3-L7 PolarHBondContact O-N 3.02Å; Y4-L7 PolarHBondContact O-N 3.07Å; F5-L7 VanDerWaalsContact C-N 3.31Å; F5-L7 PolarHBondContact O-N 3.06Å; L7-V10 PolarHBondContact O-N 3.29Å; L7-L11 HydrophobicContact CD2-CD1 3.86Å; L7-L11 PolarHBondContact O-N 3.47Å; L7-L11 VanDerWaalsContact O-N 3.08Å
8	L	84.5	Confident	76.3	Confident	119 Å²	119	113.8 Å²	113.8	62%	0.623	58%	0.579	S	S	*	*	H	α-helix	trans	-65.9	-40.2	175.5	-168.9	149.4	0	0	0	112.3	Y4 F5 I6 L11 Y12	Y4-L8 PolarHBondContact O-N 3.38Å; Y4-L8 VanDerWaalsContact O-N 3.1Å; F5-L8 PolarHBondContact O-N 2.89Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.05Å; L8-Y12 WeakPolarHBondContact O-CB 3.47Å; L8-Y12 PolarHBondContact O-N 3.35Å
9	I	85.3	Confident	74.9	Confident	73 Å²	73	110.5 Å²	110.5	37%	0.374	58%	0.576	S	S	.	*	H	α-helix	trans	-64.1	-44.4	177.2	-68.1	168	0	0	0	111	F5 I6 Y12 L13	F5-I9 HydrophobicContact CD1-CD1 3.75Å; F5-I9 HydrophobicContact CE1-CD1 3.38Å; F5-I9 HydrophobicContact CE1-CG1 4.44Å; F5-I9 HydrophobicContact CZ-CD1 3.94Å; F5-I9 WeakPolarHBondContact O-CG1 3.46Å; F5-I9 PolarHBondContact O-N 3.45Å; I6-I9 PolarHBondContact O-N 3.41Å; I9-Y12 PolarHBondContact O-N 3.24Å; I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 WeakPolarHBondContact O-CG 3.29Å; I9-L13 PolarHBondContact O-N 3.31Å
10	V	86.4	Confident	73.5	Confident	92 Å²	92	111.8 Å²	111.8	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-63.2	-43.4	178.7	174.2	0	0	0	0	111	I6 L7 L13 S14	I6-V10 WeakPolarHBondContact O-CG2 3.15Å; I6-V10 PolarHBondContact O-N 3.22Å; L7-V10 PolarHBondContact O-N 3.29Å; V10-L13 PolarHBondContact O-N 3.36Å; V10-S14 PolarHBondContact O-N 3.41Å; V10-S14 PolarHBondContact O-OG 3.38Å
11	L	83.8	Confident	71.9	Confident	98 Å²	98	112.9 Å²	112.9	51%	0.513	58%	0.583	S	S	.	*	H	α-helix	trans	-60.8	-46.6	174.9	-95.4	160.8	0	0	0	112	L7 L8 L13 S14 V15	L7-L11 HydrophobicContact CD2-CD1 3.86Å; L7-L11 PolarHBondContact O-N 3.47Å; L7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.05Å; L11-L13 PolarHBondContact O-N 2.74Å; L11-S14 WeakPolarHBondContact CA-OG 3.48Å; L11-S14 PolarHBondContact O-N 2.99Å; L11-S14 PolarHBondContact O-OG 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.41Å; L11-V15 PolarHBondContact O-N 3.44Å
12	Y	82.2	Confident	70.7	Confident	146 Å²	146	110.4 Å²	110.4	57%	0.573	57%	0.574	S	S	*	*	H	α-helix	trans	-59	-45.7	178.6	179.9	-101.6	0	0	0	112.3	L8 I9 S14 V15 L16	L8-Y12 WeakPolarHBondContact O-CB 3.47Å; L8-Y12 PolarHBondContact O-N 3.35Å; I9-Y12 PolarHBondContact O-N 3.24Å; Y12-S14 VanDerWaalsContact C-N 3.35Å; Y12-S14 PolarHBondContact O-N 3.32Å; Y12-V15 PolarHBondContact O-N 3.48Å; Y12-L16 HydrophobicContact CE1-CD1 4.29Å; Y12-L16 HydrophobicContact CE2-CD1 4.38Å; Y12-L16 PolarHBondContact O-N 3.41Å
13	L	78.7	Confident	69.3	Low	102 Å²	102	108.1 Å²	108.1	53%	0.534	57%	0.571	S	S	.	*	H	α-helix	trans	-64.8	-37.8	176.9	-70.6	172.2	0	0	0	112.3	I9 V10 L11 L16 S17	I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 WeakPolarHBondContact O-CG 3.29Å; I9-L13 PolarHBondContact O-N 3.31Å; V10-L13 PolarHBondContact O-N 3.36Å; L11-L13 PolarHBondContact O-N 2.74Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 2.95Å
14	S	74.8	Confident	67.3	Low	52 Å²	52	106.8 Å²	106.8	36%	0.364	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-44.2	177.2	68.2	0	0	0	0	112.2	V10 L11 Y12 S17 S18	V10-S14 PolarHBondContact O-N 3.41Å; V10-S14 PolarHBondContact O-OG 3.38Å; L11-S14 WeakPolarHBondContact CA-OG 3.48Å; L11-S14 PolarHBondContact O-N 2.99Å; L11-S14 PolarHBondContact O-OG 3.2Å; Y12-S14 VanDerWaalsContact C-N 3.35Å; Y12-S14 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-N 3.43Å; S14-S17 PolarHBondContact O-OG 3.44Å; S14-S18 PolarHBondContact O-N 3.08Å; S14-S18 PolarHBondContact O-OG 3.07Å
15	V	74.3	Confident	65.4	Low	93 Å²	93	105.5 Å²	105.5	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-64.2	-40.8	176.8	174.7	0	0	0	0	111.3	L11 Y12 S17 S18 G19	L11-V15 WeakPolarHBondContact O-CG2 3.41Å; L11-V15 PolarHBondContact O-N 3.44Å; Y12-V15 PolarHBondContact O-N 3.48Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.01Å; V15-S18 WeakPolarHBondContact CA-OG 3.26Å; V15-S18 PolarHBondContact O-N 3.48Å; V15-S18 PolarHBondContact O-OG 3.33Å; V15-G19 PolarHBondContact O-N 3.42Å
16	L	65.2	Low	63.3	Low	86 Å²	86	109.4 Å²	109.4	45%	0.45	58%	0.581	S	S	.	*	H	α-helix	trans	-64.4	-37	175.8	-137	86.9	0	0	0	111.7	Y12 L13 H20	Y12-L16 HydrophobicContact CE1-CD1 4.29Å; Y12-L16 HydrophobicContact CE2-CD1 4.38Å; Y12-L16 PolarHBondContact O-N 3.41Å; L13-L16 PolarHBondContact O-N 2.85Å; L16-H20 PolarHBondContact O-N 3.4Å
17	S	61.2	Low	61	Low	69 Å²	69	111.2 Å²	111.2	48%	0.483	59%	0.586	S	S	.	*	H	α-helix	trans	-72.1	-38.3	177.6	82.8	0	0	0	0	112.4	L13 S14 V15 G19 H20 M21	L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 2.95Å; S14-S17 PolarHBondContact O-N 3.43Å; S14-S17 PolarHBondContact O-OG 3.44Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.01Å; S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 3.1Å; S17-H20 PolarHBondContact O-N 3.18Å; S17-M21 WeakPolarHBondContact O-CB 3.49Å; S17-M21 WeakPolarHBondContact O-CG 3.42Å; S17-M21 PolarHBondContact O-N 2.86Å
18	S	56.7	Low	58.6	Low	76 Å²	76	110.2 Å²	110.2	53%	0.531	59%	0.588	S	S	.	*	H	α-helix	trans	-72	-26.1	175.7	56.4	0	0	0	0	112.5	S14 V15 H20	S14-S18 PolarHBondContact O-N 3.08Å; S14-S18 PolarHBondContact O-OG 3.07Å; V15-S18 WeakPolarHBondContact CA-OG 3.26Å; V15-S18 PolarHBondContact O-N 3.48Å; V15-S18 PolarHBondContact O-OG 3.33Å; S18-H20 VanDerWaalsContact C-N 3.31Å
19	G	49.2	Very low	56.4	Low	52 Å²	52	112 Å²	112	54%	0.536	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-8.5	177	0	0	0	0	0	114.9	V15 S17	V15-G19 PolarHBondContact O-N 3.42Å; S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 3.1Å
20	H	46.7	Very low	54.2	Low	135 Å²	135	117 Å²	117	63%	0.625	62%	0.615	S	S	*	*	S	Bend	trans	-119.2	1.4	179.6	-90.4	-50	0	0	0	114	L16 S17 S18	L16-H20 PolarHBondContact O-N 3.4Å; S17-H20 PolarHBondContact O-N 3.18Å; S18-H20 VanDerWaalsContact C-N 3.31Å
21	M	39	Very low	51.8	Low	135 Å²	135	114.3 Å²	114.3	67%	0.665	61%	0.605	S	S	*	*	S	Bend	trans	-105.5	6.1	-175.8	-76.8	-93.3	152	0	0	114.5	S17	S17-M21 WeakPolarHBondContact O-CB 3.49Å; S17-M21 WeakPolarHBondContact O-CG 3.42Å; S17-M21 PolarHBondContact O-N 2.86Å
22	D	37.8	Very low	49.7	Very low	146 Å²	146	117.1 Å²	117.1	78%	0.781	62%	0.62	S	S	*	*	S	Bend	trans	-112.9	-2.5	171.8	-78.1	-28.4	0	0	0	113.8
23	D	39.3	Very low	47.7	Very low	139 Å²	139	117.1 Å²	117.1	74%	0.743	62%	0.62	S	S	*	*	S	Bend	trans	-89.3	-9.6	172.4	-77.8	-26.6	0	0	0	112.6	I25	D23-I25 PolarHBondContact O-N 3.49Å
24	D	38.7	Very low	46	Very low	104 Å²	104	120.7 Å²	120.7	56%	0.556	64%	0.639	S	S	*	*	S	Bend	trans	-81.4	104.1	171.7	-78.5	-25.1	0	0	0	109.4
25	I	40.8	Very low	44.7	Very low	149 Å²	149	124 Å²	124	76%	0.764	66%	0.657	S	S	*	*	S	Bend	trans	79.9	41.6	148.7	-41.2	155	0	0	0	114.6	D23	D23-I25 PolarHBondContact O-N 3.49Å
26	Y	34	Very low	43.3	Very low	225 Å²	225	127.9 Å²	127.9	88%	0.882	66%	0.663	S	S	*	*			trans	-122.5	31.7	148.8	-87.5	-83.4	0	0	0	111.9	S28	Y26-S28 PolarHBondContact O-N 3.29Å
27	Q	37.9	Very low	42.4	Very low	145 Å²	145	129.1 Å²	129.1	68%	0.678	68%	0.675	S	S	*	*			trans	-67.2	77.9	161.3	-162.8	176.8	8.6	0	0	108	E29	Q27-E29 PolarHBondContact O-N 3.48Å
28	S	34.1	Very low	41.7	Very low	78 Å²	78	137 Å²	137	55%	0.545	70%	0.696	S	S	.	*			trans	-47.2	134.8	163.7	70.5	0	0	0	0	107	Y26 H30	Y26-S28 PolarHBondContact O-N 3.29Å; S28-H30 PolarHBondContact O-N 2.85Å
29	E	38.2	Very low	41.6	Very low	156 Å²	156	137.2 Å²	137.2	73%	0.729	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	32.5	-177.3	-60.2	-177.2	128.2	0	0	113.3	Q27	Q27-E29 PolarHBondContact O-N 3.48Å
30	H	39.6	Very low	41.9	Very low	180 Å²	180	137.7 Å²	137.7	83%	0.833	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	3.8	-177.2	-68.8	-2.8	0	0	0	113.1	S28	S28-H30 PolarHBondContact O-N 2.85Å
31	G	34.6	Very low	42.4	Very low	35 Å²	35	137.2 Å²	137.2	36%	0.361	69%	0.687	S	S	.	*	S	Bend	trans	-142.3	128.7	174.5	0	0	0	0	0	111.2
32	L	41.7	Very low	43.6	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	69%	0.685	S	S	*	*	S	Bend	trans	94.3	19.5	163.9	-58.1	131.1	0	0	0	119.2
33	Y	38.2	Very low	44.7	Very low	145 Å²	145	134.4 Å²	134.4	57%	0.569	67%	0.671	S	S	*	*			trans	-89.3	137.9	153.2	-70.8	-77.5	0	0	0	109.2	T35	Y33-T35 PolarHBondContact O-N 2.84Å
34	L	44.5	Very low	45.7	Very low	178 Å²	178	132.3 Å²	132.3	93%	0.932	66%	0.658	S	S	*	*			trans	-58.5	82.3	154.1	-94.7	109.2	0	0	0	106.4	Y36	L34-Y36 PolarHBondContact O-N 3.3Å
35	T	46.4	Very low	47	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	65%	0.654	S	S	*	*			trans	-70.1	117.1	174.6	39.9	0	0	0	0	106.3	Y33	Y33-T35 PolarHBondContact O-N 2.84Å
36	Y	45.7	Very low	48.2	Very low	175 Å²	175	129.3 Å²	129.3	69%	0.686	64%	0.643	S	S	*	*			trans	-46.6	132.1	173.9	-87	-91.9	0	0	0	109.1	L34 Y38	L34-Y36 PolarHBondContact O-N 3.3Å; Y36-Y38 PolarHBondContact O-N 2.87Å
37	P	45.2	Very low	49.8	Very low	111 Å²	111	123 Å²	123	72%	0.721	62%	0.62	S	S	*	*	S	Bend	trans	-66.8	111.5	179.3	28	-30.5	0	0	0	107.1
38	Y	47.9	Very low	51.2	Low	234 Å²	234	120.6 Å²	120.6	92%	0.918	61%	0.612	S	S	*	*			trans	65.4	82	178.8	-58.2	-87.9	0	0	0	114.6	Y36	Y36-Y38 PolarHBondContact O-N 2.87Å
39	M	53.5	Low	52.8	Low	81 Å²	81	120.8 Å²	120.8	40%	0.399	61%	0.606	S	S	.	*			trans	-91	124.2	163.9	-147.6	154.5	-165.4	0	0	107.6	H43 F47	M39-H43 HydrophobicContact CB-CB 4.42Å; M39-H43 HydrophobicContact CE-CB 3.8Å; M39-H43 WeakPolarHBondContact CE-O 3.35Å; M39-H43 HydrophobicContact CG-CB 3.26Å; M39-H43 HydrophobicContact SD-CB 4.33Å; M39-F47 HydrophobicContact CE-CB 3.81Å; M39-F47 HydrophobicContact CE-CD2 4.44Å; M39-F47 HydrophobicContact CE-CG 4.37Å; M39-F47 HydrophobicContact SD-CB 4.45Å
40	S	55.7	Low	53.9	Low	62 Å²	62	115.7 Å²	115.7	43%	0.434	59%	0.588	S	S	.	*			trans	-64.4	157.4	170.2	52.8	0	0	0	0	110.1	D42 H43 M44	S40-D42 PolarHBondContact O-N 3.49Å; S40-D42 VanDerWaalsContact O-N 3.17Å; S40-H43 WeakPolarHBondContact O-CA 3.31Å; S40-H43 PolarHBondContact O-N 3.37Å; S40-M44 PolarHBondContact O-N 3.41Å
41	D	58.4	Low	54.9	Low	126 Å²	126	111.6 Å²	111.6	67%	0.674	57%	0.568	S	S	*	*	H	α-helix	trans	-52.3	-39.7	178.2	-69.4	-23	0	0	0	111.6	H43 M44 I45	D41-H43 PolarHBondContact O-N 3.13Å; D41-M44 PolarHBondContact O-N 3.48Å; D41-I45 WeakPolarHBondContact O-CG1 3.37Å; D41-I45 PolarHBondContact O-N 3.45Å
42	D	62.5	Low	56.2	Low	117 Å²	117	113.9 Å²	113.9	63%	0.626	58%	0.584	S	S	*	*	H	α-helix	trans	-59.3	-43.6	175	-64.6	-24.1	0	0	0	112.4	S40 I45 D46	S40-D42 PolarHBondContact O-N 3.49Å; S40-D42 VanDerWaalsContact O-N 3.17Å; D42-I45 PolarHBondContact O-N 3.49Å; D42-D46 PolarHBondContact O-N 2.92Å
43	H	61.3	Low	57.1	Low	104 Å²	104	113.9 Å²	113.9	48%	0.481	58%	0.577	S	S	.	*	H	α-helix	trans	-70.6	-33.3	177.6	-85.5	-14.3	0	0	0	112.6	M39 S40 D41 I45 D46 F47	M39-H43 HydrophobicContact CB-CB 4.42Å; M39-H43 HydrophobicContact CE-CB 3.8Å; M39-H43 WeakPolarHBondContact CE-O 3.35Å; M39-H43 HydrophobicContact CG-CB 3.26Å; M39-H43 HydrophobicContact SD-CB 4.33Å; S40-H43 WeakPolarHBondContact O-CA 3.31Å; S40-H43 PolarHBondContact O-N 3.37Å; D41-H43 PolarHBondContact O-N 3.13Å; H43-I45 VanDerWaalsContact C-N 3.32Å; H43-D46 IonicContact ND1-OD2 3.93Å; H43-D46 PolarHBondContact O-N 3.3Å; H43-F47 WeakPolarHBondContact O-CB 3.42Å; H43-F47 PolarHBondContact O-N 3.38Å
44	M	60.5	Low	57.8	Low	95 Å²	95	113.7 Å²	113.7	47%	0.468	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-42.4	173.6	-172.4	-171.6	71.1	0	0	110.6	S40 D41 F47 L48	S40-M44 PolarHBondContact O-N 3.41Å; D41-M44 PolarHBondContact O-N 3.48Å; M44-F47 PolarHBondContact O-N 3.42Å; M44-L48 HydrophobicContact CE-CD1 4.43Å; M44-L48 HydrophobicContact CG-CD1 4.18Å; M44-L48 WeakPolarHBondContact O-CB 3.41Å; M44-L48 VanDerWaalsContact O-CG 3.27Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 3.04Å
45	I	66.9	Low	57.9	Low	92 Å²	92	109.5 Å²	109.5	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-61.8	-48.9	175.7	-66.2	165.2	0	0	0	110	D41 D42 H43 F47 L48 D49	D41-I45 WeakPolarHBondContact O-CG1 3.37Å; D41-I45 PolarHBondContact O-N 3.45Å; D42-I45 PolarHBondContact O-N 3.49Å; H43-I45 VanDerWaalsContact C-N 3.32Å; I45-F47 VanDerWaalsContact C-N 3.29Å; I45-F47 PolarHBondContact O-N 3.48Å; I45-L48 PolarHBondContact O-N 2.94Å; I45-D49 WeakPolarHBondContact O-CB 3.16Å; I45-D49 PolarHBondContact O-N 3.49Å
46	D	66	Low	58.2	Low	99 Å²	99	108.4 Å²	108.4	53%	0.529	57%	0.57	S	S	.	*	H	α-helix	trans	-58.5	-40.2	176.6	-75.1	-22.1	0	0	0	112.3	D42 H43 S50	D42-D46 PolarHBondContact O-N 2.92Å; H43-D46 IonicContact ND1-OD2 3.93Å; H43-D46 PolarHBondContact O-N 3.3Å; D46-S50 VanDerWaalsContact O-CB 3.26Å; D46-S50 WeakPolarHBondContact O-CB 3.34Å; D46-S50 PolarHBondContact O-N 2.95Å; D46-S50 PolarHBondContact O-OG 2.93Å
47	F	66.1	Low	58.2	Low	91 Å²	91	105.6 Å²	105.6	40%	0.399	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-46.6	177.6	-178.6	-100.2	0	0	0	111.4	M39 H43 M44 I45 S50 K51	M39-F47 HydrophobicContact CE-CB 3.81Å; M39-F47 HydrophobicContact CE-CD2 4.44Å; M39-F47 HydrophobicContact CE-CG 4.37Å; M39-F47 HydrophobicContact SD-CB 4.45Å; H43-F47 WeakPolarHBondContact O-CB 3.42Å; H43-F47 PolarHBondContact O-N 3.38Å; M44-F47 PolarHBondContact O-N 3.42Å; I45-F47 VanDerWaalsContact C-N 3.29Å; I45-F47 PolarHBondContact O-N 3.48Å; F47-S50 PolarHBondContact O-N 3.22Å; F47-S50 PolarHBondContact O-OG 3.48Å; F47-K51 HydrophobicContact CE1-CD 4.08Å; F47-K51 HydrophobicContact CZ-CD 4.37Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 PolarHBondContact O-N 3.2Å
48	L	67.3	Low	58.3	Low	96 Å²	96	109.2 Å²	109.2	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-62.8	-43.2	177.3	-70.2	172.1	0	0	0	111.3	M44 I45 S50 K51 A52	M44-L48 HydrophobicContact CE-CD1 4.43Å; M44-L48 HydrophobicContact CG-CD1 4.18Å; M44-L48 WeakPolarHBondContact O-CB 3.41Å; M44-L48 VanDerWaalsContact O-CG 3.27Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 3.04Å; I45-L48 PolarHBondContact O-N 2.94Å; L48-S50 PolarHBondContact O-N 3.42Å; L48-K51 PolarHBondContact O-N 3.04Å; L48-A52 VanDerWaalsContact O-CB 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.67Å
49	D	67.5	Low	58.2	Low	81 Å²	81	103 Å²	103	43%	0.433	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-41.4	175.3	-111.4	32.5	0	0	0	111.9	I45 A52 K53	I45-D49 WeakPolarHBondContact O-CB 3.16Å; I45-D49 PolarHBondContact O-N 3.49Å; D49-A52 PolarHBondContact O-N 2.96Å; D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 WeakPolarHBondContact O-CD 3.37Å; D49-K53 VanDerWaalsContact O-CG 3.29Å; D49-K53 WeakPolarHBondContact O-CG 3.27Å; D49-K53 PolarHBondContact O-N 2.95Å; D49-K53 IonicContact OD2-NZ 3.35Å; D49-K53 PolarHBondContact OD2-NZ 3.33Å
50	S	62.7	Low	57.8	Low	50 Å²	50	108.6 Å²	108.6	35%	0.35	58%	0.582	S	S	.	*	H	α-helix	trans	-66.3	-40.1	176.6	77.1	0	0	0	0	111.8	D46 F47 L48 K53 H54	D46-S50 VanDerWaalsContact O-CB 3.26Å; D46-S50 WeakPolarHBondContact O-CB 3.34Å; D46-S50 PolarHBondContact O-N 2.95Å; D46-S50 PolarHBondContact O-OG 2.93Å; F47-S50 PolarHBondContact O-N 3.22Å; F47-S50 PolarHBondContact O-OG 3.48Å; L48-S50 PolarHBondContact O-N 3.42Å; S50-K53 PolarHBondContact O-N 3.34Å; S50-H54 PolarHBondContact O-CD2 3.43Å; S50-H54 PolarHBondContact O-N 3.32Å
51	K	61.1	Low	57.2	Low	93 Å²	93	114.8 Å²	114.8	40%	0.404	60%	0.604	S	S	.	*	H	α-helix	trans	-72.4	-32.3	178.8	-160	-179.5	-177.5	-170.9	0	111.6	F47 L48 H54	F47-K51 HydrophobicContact CE1-CD 4.08Å; F47-K51 HydrophobicContact CZ-CD 4.37Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 PolarHBondContact O-N 3.2Å; L48-K51 PolarHBondContact O-N 3.04Å; K51-H54 CarbonylContact O-C 3.43Å
52	A	60.2	Low	56.4	Low	84 Å²	84	119.5 Å²	119.5	69%	0.694	61%	0.613	S	S	*	*	H	α-helix	trans	-70.5	-34.2	173.4	0	0	0	0	0	112.5	L48 D49	L48-A52 VanDerWaalsContact O-CB 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.67Å; D49-A52 PolarHBondContact O-N 2.96Å
53	K	61.5	Low	55.3	Low	156 Å²	156	124.2 Å²	124.2	68%	0.678	62%	0.622	S	S	*	*	H	α-helix	trans	-74.2	-27.6	175.1	-73.6	166	-174.1	155.5	0	112.8	D49 S50	D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 WeakPolarHBondContact O-CD 3.37Å; D49-K53 VanDerWaalsContact O-CG 3.29Å; D49-K53 WeakPolarHBondContact O-CG 3.27Å; D49-K53 PolarHBondContact O-N 2.95Å; D49-K53 IonicContact OD2-NZ 3.35Å; D49-K53 PolarHBondContact OD2-NZ 3.33Å; S50-K53 PolarHBondContact O-N 3.34Å
54	H	52.6	Low	54.3	Low	141 Å²	141	130.3 Å²	130.3	65%	0.653	64%	0.642	S	S	*	*	S	Bend	trans	-102.1	89.1	174.4	-66.7	-62.2	0	0	0	110.3	S50 K51 A56	S50-H54 PolarHBondContact O-CD2 3.43Å; S50-H54 PolarHBondContact O-N 3.32Å; K51-H54 CarbonylContact O-C 3.43Å; H54-A56 PolarHBondContact O-N 2.87Å
55	S	46.9	Very low	53.3	Low	90 Å²	90	130.3 Å²	130.3	63%	0.629	65%	0.649	S	S	*	*			trans	-45.4	120.3	161.3	174.6	0	0	0	0	107.6	L57	S55-L57 PolarHBondContact O-N 3.22Å
56	A	52.3	Low	51.9	Low	98 Å²	98	132.3 Å²	132.3	81%	0.81	66%	0.661	S	S	*	*			trans	-65.6	76.9	175.6	0	0	0	0	0	107.5	H54 E58	H54-A56 PolarHBondContact O-N 2.87Å; A56-E58 VanDerWaalsContact C-N 3.25Å; A56-E58 PolarHBondContact O-N 3Å
57	L	45.9	Very low	50.7	Low	116 Å²	116	131.9 Å²	131.9	61%	0.607	66%	0.658	S	S	*	*			trans	-74.3	84.2	-169.5	-139.8	125.8	0	0	0	107.5	S55 T59	S55-L57 PolarHBondContact O-N 3.22Å; L57-T59 WeakPolarHBondContact O-CB 3.48Å; L57-T59 PolarHBondContact O-N 2.92Å; L57-T59 PolarHBondContact O-OG1 3.48Å
58	E	46.9	Very low	50	Low	187 Å²	187	134.6 Å²	134.6	87%	0.874	68%	0.676	S	S	*	*	S	Bend	trans	51.3	4.2	138.6	-68.6	-178.9	147.8	0	0	119.6	A56	A56-E58 VanDerWaalsContact C-N 3.25Å; A56-E58 PolarHBondContact O-N 3Å
59	T	45.7	Very low	49.3	Very low	105 Å²	105	137.4 Å²	137.4	64%	0.644	69%	0.687	S	S	*	*			trans	-130.4	1.7	-159.6	54.4	0	0	0	0	116.4	L57	L57-T59 WeakPolarHBondContact O-CB 3.48Å; L57-T59 PolarHBondContact O-N 2.92Å; L57-T59 PolarHBondContact O-OG1 3.48Å
60	K	46	Very low	48.4	Very low	197 Å²	197	137.3 Å²	137.3	86%	0.857	69%	0.686	S	S	*	*	S	Bend	trans	-127.9	3.1	180	-75.2	-170.7	179.3	178.6	0	117.6	R62	K60-R62 PolarHBondContact O-N 3.47Å
61	Q	43.7	Very low	47.7	Very low	193 Å²	193	141.5 Å²	141.5	90%	0.902	70%	0.704	S	S	*	*			trans	-83.4	58.5	159.7	-73.7	-176.1	-13.1	0	0	110	W63	Q61-W63 PolarHBondContact O-N 3.46Å
62	R	40.4	Very low	47.2	Very low	225 Å²	225	142.4 Å²	142.4	85%	0.849	71%	0.714	S	S	*	*			trans	-69.6	88.8	155	-79.7	-174	-177.4	-179.1	0.8	105.8	K60 Y64	K60-R62 PolarHBondContact O-N 3.47Å; R62-Y64 PolarHBondContact O-N 3.43Å
63	W	38.9	Very low	46.6	Very low	216 Å²	216	145.5 Å²	145.5	82%	0.818	71%	0.711	S	S	*	*			trans	5.6	105.4	136.9	-99.8	49.6	0	0	0	111.8	Q61 P65	Q61-W63 PolarHBondContact O-N 3.46Å; W63-P65 WeakPolarHBondContact O-CD 3.33Å
64	Y	41.2	Very low	45.8	Very low	231 Å²	231	144.2 Å²	144.2	91%	0.906	71%	0.712	S	S	*	*			trans	-65.5	108.5	155.9	-78.7	-86.3	0	0	0	105.9	R62 N66	R62-Y64 PolarHBondContact O-N 3.43Å; Y64-N66 PolarHBondContact O-N 3.22Å
65	P	39.8	Very low	45.2	Very low	96 Å²	96	145.5 Å²	145.5	62%	0.623	72%	0.715	S	S	*	*			trans	-77.4	126.4	177.3	30.6	-23	0	0	0	107.4	W63 N67	W63-P65 WeakPolarHBondContact O-CD 3.33Å; P65-N67 PolarHBondContact O-N 2.73Å
66	N	37.4	Very low	45	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	71%	0.71	S	S	*	*			trans	25.2	99.4	143.7	-64.3	-21.2	0	0	0	115.9	Y64	Y64-N66 PolarHBondContact O-N 3.22Å
67	N	41.5	Very low	44.4	Very low	89 Å²	89	148.7 Å²	148.7	48%	0.476	71%	0.707	S	S	.	*			trans	-137.3	77	149.9	-124.1	-15.2	0	0	0	109	P65 E69 N70 L71	P65-N67 PolarHBondContact O-N 2.73Å; N67-E69 PolarHBondContact O-N 3.44Å; N67-E69 VanDerWaalsContact O-N 3.13Å; N67-N70 HydrophobicContact CB-CB 4.29Å; N67-N70 PolarHBondContact ND2-ND2 2.97Å; N67-N70 PolarHBondContact O-N 2.91Å; N67-L71 PolarHBondContact O-N 3.21Å
68	L	50.2	Low	44.3	Very low	148 Å²	148	153 Å²	153	78%	0.775	72%	0.717	S	S	*	*	H	α-helix	trans	-52.5	-25.9	169.2	-85	151.2	0	0	0	111.3	N70	L68-N70 VanDerWaalsContact C-N 3.28Å; L68-N70 PolarHBondContact O-N 3.17Å
69	E	52	Low	44.2	Very low	156 Å²	156	149.2 Å²	149.2	73%	0.729	71%	0.706	S	S	*	*	H	α-helix	trans	-71.4	-13.5	174.6	-67.3	-174	161.5	0	0	114.9	N67	N67-E69 PolarHBondContact O-N 3.44Å; N67-E69 VanDerWaalsContact O-N 3.13Å
70	N	48.8	Very low	43.8	Very low	78 Å²	78	153.1 Å²	153.1	42%	0.417	72%	0.717	S	S	.	*	H	α-helix	trans	-109.2	-7.8	177.5	-75.9	-24.9	0	0	0	114	N67 L68 D72 K73	N67-N70 HydrophobicContact CB-CB 4.29Å; N67-N70 PolarHBondContact ND2-ND2 2.97Å; N67-N70 PolarHBondContact O-N 2.91Å; L68-N70 VanDerWaalsContact C-N 3.28Å; L68-N70 PolarHBondContact O-N 3.17Å; N70-D72 VanDerWaalsContact C-N 3.32Å; N70-D72 PolarHBondContact O-N 2.67Å; N70-K73 PolarHBondContact O-N 3.32Å
71	L	49	Very low	43.6	Very low	138 Å²	138	153.8 Å²	153.8	72%	0.723	71%	0.714	S	S	*	*	H	α-helix	trans	-66.9	-34.9	178.2	-118.7	93.6	0	0	0	112.1	N67 K73	N67-L71 PolarHBondContact O-N 3.21Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 2.76Å
72	D	50.5	Low	43.5	Very low	113 Å²	113	154.3 Å²	154.3	60%	0.604	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-12.7	-177	-130	-19.2	0	0	0	113.3	N70 K75	N70-D72 VanDerWaalsContact C-N 3.32Å; N70-D72 PolarHBondContact O-N 2.67Å; D72-K75 WeakPolarHBondContact OD1-CE 3.4Å; D72-K75 IonicContact OD1-NZ 2.8Å; D72-K75 PolarHBondContact OD1-NZ 2.8Å
73	K	47.6	Very low	43.1	Very low	148 Å²	148	153.8 Å²	153.8	64%	0.643	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-12.6	178.7	-68.5	177.8	-176.7	165.9	0	113.5	N70 L71 K75	N70-K73 PolarHBondContact O-N 3.32Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 2.76Å; K73-K75 VanDerWaalsContact C-N 3.35Å; K73-K75 PolarHBondContact O-N 2.8Å
74	N	43.8	Very low	43.3	Very low	130 Å²	130	153.6 Å²	153.6	70%	0.695	71%	0.711	S	S	*	*			trans	-96.1	38.3	173.4	-76.7	-7.9	0	0	0	112.7	V76	N74-V76 PolarHBondContact O-N 3Å
75	K	40.1	Very low	43.1	Very low	167 Å²	167	148.4 Å²	148.4	73%	0.726	70%	0.703	S	S	*	*			trans	-66.6	34.7	160.4	-80.3	178	177.2	138.9	0	112.6	D72 K73	D72-K75 WeakPolarHBondContact OD1-CE 3.4Å; D72-K75 IonicContact OD1-NZ 2.8Å; D72-K75 PolarHBondContact OD1-NZ 2.8Å; K73-K75 VanDerWaalsContact C-N 3.35Å; K73-K75 PolarHBondContact O-N 2.8Å
76	V	42.6	Very low	43.4	Very low	86 Å²	86	155.1 Å²	155.1	52%	0.521	72%	0.716	S	S	.	*			trans	-114.1	81.9	-159.2	167.2	0	0	0	0	106.7	N74	N74-V76 PolarHBondContact O-N 3Å
77	F	39.7	Very low	43.8	Very low	170 Å²	170	154 Å²	154	75%	0.746	72%	0.716	S	S	*	*			trans	67.6	136.1	151.2	-40.6	-82.3	0	0	0	116.1
78	Y	45.1	Very low	43.9	Very low	207 Å²	207	160.8 Å²	160.8	81%	0.812	74%	0.737	S	S	*	*				-164.9	115.5	54.5	-124.9	-96.3	0	0	0	109.8
79	V	44.8	Very low	43.5	Very low	107 Å²	107	157.6 Å²	157.6	65%	0.648	74%	0.74	S	S	*	*				60.9	98.5	128.9	-172.6	0	0	0	0	118.8	R81	V79-R81 PolarHBondContact O-N 3.47Å
80	H	37.4	Very low	42.7	Very low	186 Å²	186	165.6 Å²	165.6	86%	0.861	76%	0.763	S	S	*	*			trans	-26.7	125.2	136.3	-84.1	-56	0	0	0	114.5
81	R	41.2	Very low	42.4	Very low	212 Å²	212	170 Å²	170	80%	0.8	78%	0.78	S	S	*	*			trans	171.8	143.7	140.4	-100.3	162.6	-172.4	-150.4	5.4	108.4	V79	V79-R81 PolarHBondContact O-N 3.47Å
82	R	41	Very low	42	Very low	203 Å²	203	171.6 Å²	171.6	77%	0.766	78%	0.783	S	S	*	*			cis	-172.3	132.7	-14.8	-118.2	-177.4	-172.6	-173.3	-0.1	101.7
83	R	33.7	Very low	41.5	Very low	215 Å²	215	174.9 Å²	174.9	81%	0.811	79%	0.793	S	S	*	*			trans	28.9	110.1	148.1	-63.8	179.6	176.1	-162.5	-2.8	117.6
84	F	41.2	Very low	41.2	Very low	212 Å²	212	176.5 Å²	176.5	93%	0.93	80%	0.802	S	S	*	*				-140.9	81.5	128.7	-82.9	-73.5	0	0	0	109.6	R86	F84-R86 PolarHBondContact O-N 3.43Å
85	T	37.6	Very low	41	Very low	122 Å²	122	179.4 Å²	179.4	75%	0.748	81%	0.809	S	S	*	*			trans	-64.4	113.9	147.3	45.9	0	0	0	0	107.6
86	R	46.2	Very low	41.1	Very low	237 Å²	237	180.2 Å²	180.2	89%	0.894	81%	0.814	S	S	*	*			trans	-172.1	152.1	136.5	-102.2	173.6	-170.2	-153.2	3.2	111.4	F84	F84-R86 PolarHBondContact O-N 3.43Å
87	P	46.3	Very low	41	Very low	110 Å²	110	186.9 Å²	186.9	71%	0.714	84%	0.835	S	S	*	*			trans	-90.9	166.9	-137.6	36.5	-38.3	0	0	0	112.7	G89	P87-G89 PolarHBondContact O-N 3.42Å
88	Y	42.5	Very low	41.1	Very low	232 Å²	232	188.2 Å²	188.2	91%	0.91	84%	0.842	S	S	*	*			trans	-28.8	115.5	164.2	-65.1	-83.9	0	0	0	113	R90	Y88-R90 PolarHBondContact O-N 3.2Å
89	G	41.9	Very low	40.7	Very low	81 Å²	81	186.7 Å²	186.7	84%	0.835	85%	0.845	S	S	*	*			trans	-79.3	104.9	165.4	0	0	0	0	0	110.1	P87	P87-G89 PolarHBondContact O-N 3.42Å
90	R	35.3	Very low	40.4	Very low	323 Å²	323	193.9 Å²	193.9	100%	1.219	86%	0.863	S	S	*	*			trans	-135.2	0	136.9	-90.8	-167.5	179.6	179.2	1	107.2	Y88	Y88-R90 PolarHBondContact O-N 3.2Å

Retrieved 90 of 90 residues in 114.1 ms (Link to these results)

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