A0A5K4F9F4_SCHMA Loading...

ABC transporter

AlphaFold DB , UniProt , Accession A0A5K4F9F4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 aa.

						>A0A5K4F9F4_SCHMA|A0A5K4F9F4
MITYVGVFSCLVTFLPFVHMVTLEQAMSDPDKYIRYDTGDFNIGMHVGLSLLINYGILSTAVLFIVIVSKALGYKRKRHG
					

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	59.8	Low	79.7	Confident	190 Å²	190	111.9 Å²	111.9	94%	0.936	61%	0.608	S	S	*	*				0	-54.8	0	-70.3	-177.5	69.6	0	0	111.8	T3 Y4 V5	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.16Å; M1-Y4 PolarHBondContact O-N 3.44Å; M1-Y4 VanDerWaalsContact O-N 3.09Å; M1-V5 PolarHBondContact O-N 3.23Å
2	I	73.4	Confident	80.3	Confident	152 Å²	152	109.6 Å²	109.6	78%	0.779	60%	0.599	S	S	*	*	H	α-helix	trans	-54.3	-39.5	178.1	-64.3	166.4	0	0	0	112.8	Y4 V5 G6	I2-Y4 PolarHBondContact O-N 3.13Å; I2-V5 PolarHBondContact O-N 3.27Å; I2-G6 PolarHBondContact O-N 2.99Å
3	T	74.9	Confident	80.8	Confident	104 Å²	104	106.8 Å²	106.8	64%	0.638	59%	0.588	S	S	*	*	H	α-helix	trans	-58.4	-44.4	176.1	45	0	0	0	0	113.2	M1 G6 V7	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.16Å; T3-G6 PolarHBondContact O-N 3.43Å; T3-V7 VanDerWaalsContact O-CG2 3.31Å; T3-V7 WeakPolarHBondContact O-CG2 3.36Å; T3-V7 PolarHBondContact O-N 3.35Å
4	Y	82.3	Confident	80.9	Confident	184 Å²	184	108.4 Å²	108.4	72%	0.722	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	-40.5	177.8	-68	-79.3	0	0	0	112.1	M1 I2 G6 V7 F8	M1-Y4 PolarHBondContact O-N 3.44Å; M1-Y4 VanDerWaalsContact O-N 3.09Å; I2-Y4 PolarHBondContact O-N 3.13Å; Y4-G6 VanDerWaalsContact C-N 3.33Å; Y4-V7 PolarHBondContact O-N 3.31Å; Y4-F8 VanDerWaalsContact O-CB 3.27Å; Y4-F8 WeakPolarHBondContact O-CB 3.39Å; Y4-F8 PolarHBondContact O-N 2.93Å
5	V	81.8	Confident	80.8	Confident	99 Å²	99	108.9 Å²	108.9	60%	0.6	59%	0.588	S	S	*	*	H	α-helix	trans	-63.7	-41.9	176.7	179.7	0	0	0	0	110.5	M1 I2 F8 S9	M1-V5 PolarHBondContact O-N 3.23Å; I2-V5 PolarHBondContact O-N 3.27Å; V5-F8 PolarHBondContact O-N 2.86Å; V5-S9 VanDerWaalsContact O-CB 3.27Å; V5-S9 WeakPolarHBondContact O-CB 3.39Å; V5-S9 PolarHBondContact O-N 2.87Å
6	G	81.8	Confident	80.6	Confident	42 Å²	42	108.6 Å²	108.6	43%	0.433	59%	0.593	S	S	.	*	H	α-helix	trans	-62.7	-46	175.5	0	0	0	0	0	112.8	I2 T3 Y4 S9 C10	I2-G6 PolarHBondContact O-N 2.99Å; T3-G6 PolarHBondContact O-N 3.43Å; Y4-G6 VanDerWaalsContact C-N 3.33Å; G6-S9 PolarHBondContact O-N 3.49Å; G6-C10 VanDerWaalsContact O-CB 3.27Å; G6-C10 WeakPolarHBondContact O-CB 3.38Å; G6-C10 PolarHBondContact O-N 3.5Å
7	V	84.5	Confident	80.4	Confident	91 Å²	91	112.1 Å²	112.1	55%	0.552	60%	0.602	S	S	*	*	H	α-helix	trans	-63.1	-43.9	176	173.7	0	0	0	0	111	T3 Y4 C10 L11	T3-V7 VanDerWaalsContact O-CG2 3.31Å; T3-V7 WeakPolarHBondContact O-CG2 3.36Å; T3-V7 PolarHBondContact O-N 3.35Å; Y4-V7 PolarHBondContact O-N 3.31Å; V7-C10 WeakPolarHBondContact O-CB 3.38Å; V7-C10 PolarHBondContact O-N 2.78Å; V7-L11 HydrophobicContact CG1-CD1 4.1Å; V7-L11 WeakPolarHBondContact O-CG 3.43Å; V7-L11 PolarHBondContact O-N 2.88Å
8	F	84.6	Confident	80	Confident	140 Å²	140	111.9 Å²	111.9	61%	0.614	61%	0.605	S	S	*	*	H	α-helix	trans	-63.7	-45.7	178.3	-174.5	-97.9	0	0	0	112	Y4 V5 C10 L11 V12	Y4-F8 VanDerWaalsContact O-CB 3.27Å; Y4-F8 WeakPolarHBondContact O-CB 3.39Å; Y4-F8 PolarHBondContact O-N 2.93Å; V5-F8 PolarHBondContact O-N 2.86Å; F8-C10 VanDerWaalsContact C-N 3.33Å; F8-C10 PolarHBondContact O-N 3.29Å; F8-L11 PolarHBondContact O-N 3.01Å; F8-V12 HydrophobicContact CD1-CG2 4.19Å; F8-V12 HydrophobicContact CE1-CG2 3.8Å; F8-V12 HydrophobicContact CE2-CG2 4.43Å; F8-V12 HydrophobicContact CZ-CG2 3.94Å; F8-V12 WeakPolarHBondContact O-CG2 3.38Å; F8-V12 PolarHBondContact O-N 3.43Å
9	S	84.2	Confident	79.5	Confident	66 Å²	66	114.9 Å²	114.9	46%	0.462	61%	0.614	S	S	.	*	H	α-helix	trans	-62.6	-40.5	176.8	-179.6	0	0	0	0	111.8	V5 G6 V12 T13	V5-S9 VanDerWaalsContact O-CB 3.27Å; V5-S9 WeakPolarHBondContact O-CB 3.39Å; V5-S9 PolarHBondContact O-N 2.87Å; G6-S9 PolarHBondContact O-N 3.49Å; S9-V12 PolarHBondContact O-N 2.82Å; S9-T13 WeakPolarHBondContact O-CB 3.33Å; S9-T13 WeakPolarHBondContact O-CG2 3.47Å; S9-T13 PolarHBondContact O-N 3.25Å; S9-T13 PolarHBondContact O-OG1 2.9Å
10	C	84.9	Confident	79.1	Confident	62 Å²	62	118.1 Å²	118.1	42%	0.419	63%	0.627	S	S	.	*	H	α-helix	trans	-60.1	-49.5	173.4	-165.4	0	0	0	0	110.9	G6 V7 F8 V12 T13 F14	G6-C10 VanDerWaalsContact O-CB 3.27Å; G6-C10 WeakPolarHBondContact O-CB 3.38Å; G6-C10 PolarHBondContact O-N 3.5Å; V7-C10 WeakPolarHBondContact O-CB 3.38Å; V7-C10 PolarHBondContact O-N 2.78Å; F8-C10 VanDerWaalsContact C-N 3.33Å; F8-C10 PolarHBondContact O-N 3.29Å; C10-V12 PolarHBondContact O-N 2.9Å; C10-T13 WeakPolarHBondContact CA-OG1 3.22Å; C10-T13 PolarHBondContact O-N 3.4Å; C10-T13 PolarHBondContact O-OG1 3.42Å; C10-F14 VanDerWaalsContact O-CD2 3.22Å; C10-F14 WeakPolarHBondContact O-CD2 3.47Å; C10-F14 PolarHBondContact O-N 3.26Å; C10-F14 VanDerWaalsContact SG-CD2 3.51Å; C10-F14 VanDerWaalsContact SG-CE2 3.54Å
11	L	84.8	Confident	79	Confident	101 Å²	101	114.3 Å²	114.3	53%	0.529	61%	0.609	S	S	.	*	H	α-helix	trans	-57.7	-47.7	178.1	-72.9	168.5	0	0	0	112.3	V7 F8 T13 F14 L15	V7-L11 HydrophobicContact CG1-CD1 4.1Å; V7-L11 WeakPolarHBondContact O-CG 3.43Å; V7-L11 PolarHBondContact O-N 2.88Å; F8-L11 PolarHBondContact O-N 3.01Å; L11-T13 VanDerWaalsContact C-N 3.35Å; L11-T13 PolarHBondContact O-N 2.91Å; L11-F14 PolarHBondContact O-N 3.38Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 VanDerWaalsContact O-CD1 3.23Å; L11-L15 WeakPolarHBondContact O-CD1 3.3Å; L11-L15 PolarHBondContact O-N 3.46Å
12	V	86.9	Confident	80	Confident	84 Å²	84	109.1 Å²	109.1	51%	0.509	59%	0.588	S	S	.	*	H	α-helix	trans	-65.3	-37.9	-178.9	174.3	0	0	0	0	112	F8 S9 C10 P16	F8-V12 HydrophobicContact CD1-CG2 4.19Å; F8-V12 HydrophobicContact CE1-CG2 3.8Å; F8-V12 HydrophobicContact CE2-CG2 4.43Å; F8-V12 HydrophobicContact CZ-CG2 3.94Å; F8-V12 WeakPolarHBondContact O-CG2 3.38Å; F8-V12 PolarHBondContact O-N 3.43Å; S9-V12 PolarHBondContact O-N 2.82Å; C10-V12 PolarHBondContact O-N 2.9Å; V12-P16 WeakPolarHBondContact O-CD 3.34Å
13	T	86	Confident	80.2	Confident	74 Å²	74	106.7 Å²	106.7	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-73.8	-35	-179.7	47.3	0	0	0	0	113.1	S9 C10 L11 P16 F17	S9-T13 WeakPolarHBondContact O-CB 3.33Å; S9-T13 WeakPolarHBondContact O-CG2 3.47Å; S9-T13 PolarHBondContact O-N 3.25Å; S9-T13 PolarHBondContact O-OG1 2.9Å; C10-T13 WeakPolarHBondContact CA-OG1 3.22Å; C10-T13 PolarHBondContact O-N 3.4Å; C10-T13 PolarHBondContact O-OG1 3.42Å; L11-T13 VanDerWaalsContact C-N 3.35Å; L11-T13 PolarHBondContact O-N 2.91Å; T13-P16 WeakPolarHBondContact O-CD 3.29Å; T13-F17 WeakPolarHBondContact O-CD2 3.36Å; T13-F17 WeakPolarHBondContact O-CE2 3.34Å
14	F	82.7	Confident	80.5	Confident	129 Å²	129	109.7 Å²	109.7	57%	0.566	58%	0.583	S	S	*	*	H	α-helix	trans	-87.4	-21.5	179.7	-74.3	-74.2	0	0	0	114.1	C10 L11 P16 F17	C10-F14 VanDerWaalsContact O-CD2 3.22Å; C10-F14 WeakPolarHBondContact O-CD2 3.47Å; C10-F14 PolarHBondContact O-N 3.26Å; C10-F14 VanDerWaalsContact SG-CD2 3.51Å; C10-F14 VanDerWaalsContact SG-CE2 3.54Å; L11-F14 PolarHBondContact O-N 3.38Å; F14-P16 VanDerWaalsContact C-CD 3.45Å; F14-F17 WeakPolarHBondContact O-CB 3.27Å; F14-F17 PolarHBondContact O-N 2.97Å
15	L	79.6	Confident	80.4	Confident	115 Å²	115	106.2 Å²	106.2	60%	0.602	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-47.4	-47.7	177	-124.4	81.8	0	0	0	114.7	L11 F17 V18	L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 VanDerWaalsContact O-CD1 3.23Å; L11-L15 WeakPolarHBondContact O-CD1 3.3Å; L11-L15 PolarHBondContact O-N 3.46Å; L15-F17 PolarHBondContact O-N 3.25Å; L15-V18 WeakPolarHBondContact O-CB 3.34Å; L15-V18 PolarHBondContact O-N 3.48Å; L15-V18 VanDerWaalsContact O-N 3.11Å
16	P	77.3	Confident	80.3	Confident	104 Å²	104	101.9 Å²	101.9	68%	0.675	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-68.7	-15.2	-178	26.4	-35.4	0	0	0	114	V12 T13 F14 V18	V12-P16 WeakPolarHBondContact O-CD 3.34Å; T13-P16 WeakPolarHBondContact O-CD 3.29Å; F14-P16 VanDerWaalsContact C-CD 3.45Å; P16-V18 VanDerWaalsContact C-N 3.34Å
17	F	77.3	Confident	80.2	Confident	168 Å²	168	105.6 Å²	105.6	74%	0.737	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-84.9	-10.9	175.6	-63.6	-85.6	0	0	0	112.7	T13 F14 L15 H19	T13-F17 WeakPolarHBondContact O-CD2 3.36Å; T13-F17 WeakPolarHBondContact O-CE2 3.34Å; F14-F17 WeakPolarHBondContact O-CB 3.27Å; F14-F17 PolarHBondContact O-N 2.97Å; L15-F17 PolarHBondContact O-N 3.25Å; F17-H19 PolarHBondContact O-N 2.87Å; F17-H19 VanDerWaalsContact O-N 3.1Å
18	V	73.2	Confident	80.2	Confident	109 Å²	109	105.8 Å²	105.8	66%	0.661	56%	0.561	S	S	*	*			trans	-79.5	96.3	176.9	-176.2	0	0	0	0	108.5	L15 P16 M20	L15-V18 WeakPolarHBondContact O-CB 3.34Å; L15-V18 PolarHBondContact O-N 3.48Å; L15-V18 VanDerWaalsContact O-N 3.11Å; P16-V18 VanDerWaalsContact C-N 3.34Å; V18-M20 PolarHBondContact O-N 2.74Å; V18-M20 VanDerWaalsContact O-N 3.11Å
19	H	69.8	Low	80.1	Confident	170 Å²	170	102.5 Å²	102.5	79%	0.787	55%	0.55	S	S	*	.			trans	-77.1	97.1	172.6	-147.2	-72	0	0	0	108.8	F17 V21	F17-H19 PolarHBondContact O-N 2.87Å; F17-H19 VanDerWaalsContact O-N 3.1Å; H19-V21 PolarHBondContact O-N 3.35Å
20	M	72.6	Confident	79.8	Confident	177 Å²	177	102.5 Å²	102.5	87%	0.872	55%	0.548	S	S	*	.			trans	-70.4	126.1	171.4	-172.1	175.5	-179.3	0	0	108.4	V18	V18-M20 PolarHBondContact O-N 2.74Å; V18-M20 VanDerWaalsContact O-N 3.11Å
21	V	77.5	Confident	79.5	Confident	39 Å²	39	105.8 Å²	105.8	24%	0.236	56%	0.561	C	S	.	*			trans	-115.8	139.5	175.6	-174.6	0	0	0	0	107.2	H19 Q25 A26 Y33	H19-V21 PolarHBondContact O-N 3.35Å; V21-Q25 HydrophobicContact CG1-CB 3.72Å; V21-Q25 HydrophobicContact CG1-CG 3.78Å; V21-A26 HydrophobicContact CG1-CB 4.44Å; V21-Y33 HydrophobicContact CB-CE1 4.27Å; V21-Y33 HydrophobicContact CG1-CD1 4.39Å; V21-Y33 HydrophobicContact CG1-CE1 3.98Å; V21-Y33 HydrophobicContact CG1-CE2 4.45Å; V21-Y33 HydrophobicContact CG2-CD1 4.26Å; V21-Y33 HydrophobicContact CG2-CE1 3.72Å
22	T	80.1	Confident	79.3	Confident	82 Å²	82	107.6 Å²	107.6	50%	0.503	57%	0.565	S	S	.	*			trans	-69.8	153.1	175.6	61.4	0	0	0	0	109.7	E24 Q25 A26	T22-E24 PolarHBondContact O-N 2.91Å; T22-Q25 PolarHBondContact O-N 3.48Å; T22-Q25 VanDerWaalsContact O-N 3.15Å; T22-Q25 VanDerWaalsContact OG1-CB 3.31Å; T22-Q25 WeakPolarHBondContact OG1-CB 3.49Å; T22-Q25 PolarHBondContact OG1-N 3Å; T22-A26 WeakPolarHBondContact O-CB 3.1Å; T22-A26 PolarHBondContact O-N 3.47Å
23	L	78.4	Confident	78.9	Confident	100 Å²	100	106.1 Å²	106.1	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-56.8	-40.6	176.4	-178.6	63.2	0	0	0	111.4	Q25 A26 M27 Y36	L23-Q25 PolarHBondContact O-N 3.32Å; L23-A26 WeakPolarHBondContact O-CB 3.43Å; L23-A26 PolarHBondContact O-N 2.95Å; L23-A26 VanDerWaalsContact O-N 3.17Å; L23-M27 HydrophobicContact CD1-CG 4.4Å; L23-M27 HydrophobicContact CG-CG 4.5Å; L23-M27 HydrophobicContact CG-SD 4.3Å; L23-M27 WeakPolarHBondContact O-CB 3.4Å; L23-M27 WeakPolarHBondContact O-CG 3.31Å; L23-M27 PolarHBondContact O-N 3.4Å; L23-Y36 HydrophobicContact CD1-CD2 3.94Å; L23-Y36 HydrophobicContact CD1-CG 4.07Å
24	E	79.5	Confident	78.2	Confident	168 Å²	168	109.7 Å²	109.7	79%	0.785	57%	0.565	S	S	*	*	H	α-helix	trans	-59.1	-45.5	177.1	-173.2	-179.1	175.9	0	0	112.1	T22 A26 M27 S28	T22-E24 PolarHBondContact O-N 2.91Å; E24-A26 VanDerWaalsContact C-N 3.33Å; E24-M27 PolarHBondContact O-N 3.34Å; E24-S28 PolarHBondContact O-N 2.85Å
25	Q	80.8	Confident	77.6	Confident	110 Å²	110	112.4 Å²	112.4	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-73.8	-25.7	177.6	-174	159	0.3	0	0	112.7	V21 T22 L23 S28 Y33	V21-Q25 HydrophobicContact CG1-CB 3.72Å; V21-Q25 HydrophobicContact CG1-CG 3.78Å; T22-Q25 PolarHBondContact O-N 3.48Å; T22-Q25 VanDerWaalsContact O-N 3.15Å; T22-Q25 VanDerWaalsContact OG1-CB 3.31Å; T22-Q25 WeakPolarHBondContact OG1-CB 3.49Å; T22-Q25 PolarHBondContact OG1-N 3Å; L23-Q25 PolarHBondContact O-N 3.32Å; Q25-S28 PolarHBondContact O-OG 3.47Å; Q25-Y33 VanDerWaalsContact O-CE2 3.3Å; Q25-Y33 WeakPolarHBondContact O-CE2 3.35Å
26	A	80.2	Confident	77	Confident	9 Å²	9	114.5 Å²	114.5	7%	0.074	57%	0.573	C	S	.	*	H	α-helix	trans	-71	-34.8	171.7	0	0	0	0	0	112	V21 T22 L23 E24 D29 Y33	V21-A26 HydrophobicContact CG1-CB 4.44Å; T22-A26 WeakPolarHBondContact O-CB 3.1Å; T22-A26 PolarHBondContact O-N 3.47Å; L23-A26 WeakPolarHBondContact O-CB 3.43Å; L23-A26 PolarHBondContact O-N 2.95Å; L23-A26 VanDerWaalsContact O-N 3.17Å; E24-A26 VanDerWaalsContact C-N 3.33Å; A26-D29 CarbonylContact O-C 3.53Å; A26-Y33 VanDerWaalsContact CA-CD2 3.44Å; A26-Y33 HydrophobicContact CB-CD2 4.17Å; A26-Y33 HydrophobicContact CB-CG 4.1Å
27	M	79.5	Confident	76.7	Confident	120 Å²	120	116.2 Å²	116.2	59%	0.591	58%	0.576	S	S	*	*	H	α-helix	trans	-76	-22.6	178.8	-76.5	-173.9	52.2	0	0	113.9	L23 E24 D29	L23-M27 HydrophobicContact CD1-CG 4.4Å; L23-M27 HydrophobicContact CG-CG 4.5Å; L23-M27 HydrophobicContact CG-SD 4.3Å; L23-M27 WeakPolarHBondContact O-CB 3.4Å; L23-M27 WeakPolarHBondContact O-CG 3.31Å; L23-M27 PolarHBondContact O-N 3.4Å; E24-M27 PolarHBondContact O-N 3.34Å; M27-D29 VanDerWaalsContact C-N 3.3Å
28	S	83.6	Confident	76.6	Confident	94 Å²	94	113.8 Å²	113.8	66%	0.657	58%	0.575	S	S	*	*	H	α-helix	trans	-73.8	-22.1	177.7	65.2	0	0	0	0	113.5	E24 Q25	E24-S28 PolarHBondContact O-N 2.85Å; Q25-S28 PolarHBondContact O-OG 3.47Å
29	D	83.5	Confident	77	Confident	72 Å²	72	110.8 Å²	110.8	39%	0.385	57%	0.566	S	S	.	*	S	Bend	trans	-139	72.7	176.5	-168.9	-0.9	0	0	0	110.7	A26 M27 D31 K32 Y33	A26-D29 CarbonylContact O-C 3.53Å; M27-D29 VanDerWaalsContact C-N 3.3Å; D29-D31 PolarHBondContact O-N 3.31Å; D29-D31 VanDerWaalsContact O-N 3.16Å; D29-K32 HydrophobicContact CB-CB 4.21Å; D29-K32 PolarHBondContact O-N 2.91Å; D29-K32 VanDerWaalsContact O-N 3.09Å; D29-K32 WeakPolarHBondContact OD2-CB 3.31Å; D29-K32 WeakPolarHBondContact OD2-CD 3.24Å; D29-Y33 HydrophobicContact CB-CD2 4.38Å; D29-Y33 HydrophobicContact CB-CE2 4.12Å; D29-Y33 VanDerWaalsContact O-CD2 3.24Å; D29-Y33 WeakPolarHBondContact O-CD2 3.43Å; D29-Y33 PolarHBondContact O-N 3.48Å
30	P	76.7	Confident	77.7	Confident	66 Å²	66	110.5 Å²	110.5	43%	0.429	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-14.4	-168.7	28.1	-35.8	0	0	0	114.3
31	D	80.1	Confident	78.4	Confident	130 Å²	130	109 Å²	109	70%	0.695	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-20.5	176	-68.2	-30.7	0	0	0	112	D29 R35	D29-D31 PolarHBondContact O-N 3.31Å; D29-D31 VanDerWaalsContact O-N 3.16Å; D31-R35 IonicContact OD1-CZ 3.99Å; D31-R35 IonicContact OD1-NH2 2.91Å; D31-R35 PolarHBondContact OD1-NH2 3.49Å
32	K	81	Confident	79	Confident	139 Å²	139	111.4 Å²	111.4	60%	0.604	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-33.7	176.5	-176.8	177.4	178	-170.3	0	113.2	D29	D29-K32 HydrophobicContact CB-CB 4.21Å; D29-K32 PolarHBondContact O-N 2.91Å; D29-K32 VanDerWaalsContact O-N 3.09Å; D29-K32 WeakPolarHBondContact OD2-CB 3.31Å; D29-K32 WeakPolarHBondContact OD2-CD 3.24Å
33	Y	77.5	Confident	79.6	Confident	54 Å²	54	112.9 Å²	112.9	21%	0.212	58%	0.575	C	S	.	*	S	Bend	trans	-107.7	158.1	-173	-57.1	-71.2	0	0	0	112.4	V21 Q25 A26 D29 R35	V21-Y33 HydrophobicContact CB-CE1 4.27Å; V21-Y33 HydrophobicContact CG1-CD1 4.39Å; V21-Y33 HydrophobicContact CG1-CE1 3.98Å; V21-Y33 HydrophobicContact CG1-CE2 4.45Å; V21-Y33 HydrophobicContact CG2-CD1 4.26Å; V21-Y33 HydrophobicContact CG2-CE1 3.72Å; Q25-Y33 VanDerWaalsContact O-CE2 3.3Å; Q25-Y33 WeakPolarHBondContact O-CE2 3.35Å; A26-Y33 VanDerWaalsContact CA-CD2 3.44Å; A26-Y33 HydrophobicContact CB-CD2 4.17Å; A26-Y33 HydrophobicContact CB-CG 4.1Å; D29-Y33 HydrophobicContact CB-CD2 4.38Å; D29-Y33 HydrophobicContact CB-CE2 4.12Å; D29-Y33 VanDerWaalsContact O-CD2 3.24Å; D29-Y33 WeakPolarHBondContact O-CD2 3.43Å; D29-Y33 PolarHBondContact O-N 3.48Å; Y33-R35 PolarHBondContact O-N 3Å; Y33-R35 VanDerWaalsContact O-N 3.12Å
34	I	71.8	Confident	80.4	Confident	148 Å²	148	110.3 Å²	110.3	76%	0.759	57%	0.572	S	S	*	*			trans	-58.9	121.1	174.4	-61.7	173.1	0	0	0	107.6	Y36	I34-Y36 WeakPolarHBondContact O-CD2 3.32Å; I34-Y36 PolarHBondContact O-N 2.81Å
35	R	69.1	Low	81.1	Confident	187 Å²	187	106.6 Å²	106.6	71%	0.706	56%	0.556	S	S	*	*			trans	-62.5	107.3	178.3	-67.7	-178.5	175.5	-173.4	-2.1	108.8	D31 Y33	D31-R35 IonicContact OD1-CZ 3.99Å; D31-R35 IonicContact OD1-NH2 2.91Å; D31-R35 PolarHBondContact OD1-NH2 3.49Å; Y33-R35 PolarHBondContact O-N 3Å; Y33-R35 VanDerWaalsContact O-N 3.12Å
36	Y	66.8	Low	81.7	Confident	158 Å²	158	105 Å²	105	62%	0.62	55%	0.548	S	S	*	.			trans	-70.5	129.7	166.9	-74.9	-84.7	0	0	0	108.1	L23 I34 T38	L23-Y36 HydrophobicContact CD1-CD2 3.94Å; L23-Y36 HydrophobicContact CD1-CG 4.07Å; I34-Y36 WeakPolarHBondContact O-CD2 3.32Å; I34-Y36 PolarHBondContact O-N 2.81Å; Y36-T38 PolarHBondContact O-N 2.9Å
37	D	71.2	Confident	82.5	Confident	140 Å²	140	108 Å²	108	75%	0.749	57%	0.566	S	S	*	*			trans	-65.9	116.3	169.2	-172.1	-0.3	0	0	0	108.1	G39	D37-G39 VanDerWaalsContact C-N 3.32Å; D37-G39 PolarHBondContact OD1-N 3.47Å
38	T	76.5	Confident	83.3	Confident	117 Å²	117	104.1 Å²	104.1	72%	0.718	56%	0.557	S	S	*	*			trans	-94.7	9.2	177.2	62.2	0	0	0	0	112	Y36	Y36-T38 PolarHBondContact O-N 2.9Å
39	G	80.7	Confident	83.9	Confident	46 Å²	46	103.6 Å²	103.6	47%	0.474	55%	0.546	S	S	.	.	S	Bend	trans	-65	161.3	174.9	0	0	0	0	0	112.7	D37 F41	D37-G39 VanDerWaalsContact C-N 3.32Å; D37-G39 PolarHBondContact OD1-N 3.47Å; G39-F41 PolarHBondContact O-N 3.34Å
40	D	85.7	Confident	84.5	Confident	165 Å²	165	103.8 Å²	103.8	88%	0.882	55%	0.553	S	S	*	*			trans	-60.8	136.9	174.9	-69.8	-38.9	0	0	0	110.9	N42	D40-N42 PolarHBondContact O-N 2.94Å
41	F	86	Confident	85.5	Confident	144 Å²	144	104.8 Å²	104.8	63%	0.632	55%	0.554	S	S	*	*			trans	-60.3	110.5	179	178.4	-98.8	0	0	0	111	G39 I43 H46	G39-F41 PolarHBondContact O-N 3.34Å; F41-I43 HydrophobicContact CD1-CB 4.45Å; F41-I43 HydrophobicContact CE1-CB 3.92Å; F41-I43 HydrophobicContact CE1-CD1 3.69Å; F41-I43 HydrophobicContact CE1-CG1 4.41Å; F41-I43 HydrophobicContact CZ-CD1 4.11Å; F41-I43 PolarHBondContact O-N 2.91Å; F41-H46 AromaticContact CD2-CD2 3.49Å; F41-H46 VanDerWaalsContact CD2-CD2 3.49Å; F41-H46 WeakPolarHBondContact CD2-CD2 3.49Å; F41-H46 AromaticContact CD2-NE2 3.48Å; F41-H46 WeakPolarHBondContact CD2-NE2 3.44Å; F41-H46 HydrophobicContact CE2-CB 4.43Å; F41-H46 AromaticContact CE2-CD2 3.08Å; F41-H46 WeakPolarHBondContact CE2-CD2 3.31Å; F41-H46 AromaticContact CE2-CG 3.74Å; F41-H46 AromaticContact CE2-NE2 3.4Å; F41-H46 WeakPolarHBondContact CE2-NE2 3.42Å; F41-H46 HydrophobicContact CZ-CB 4.32Å; F41-H46 AromaticContact CZ-CD2 3.63Å
42	N	90.2	Very high	86.4	Confident	90 Å²	90	104.5 Å²	104.5	48%	0.481	55%	0.552	S	S	.	*			trans	-94.2	94.3	178.1	-172	-28.6	0	0	0	110.4	D40 G44 M45 H46	D40-N42 PolarHBondContact O-N 2.94Å; N42-G44 PolarHBondContact O-N 3.32Å; N42-G44 PolarHBondContact OD1-N 3.42Å; N42-G44 VanDerWaalsContact OD1-N 3.12Å; N42-M45 HydrophobicContact CB-CB 3.93Å; N42-M45 WeakPolarHBondContact O-CB 3.32Å; N42-M45 PolarHBondContact O-N 2.86Å; N42-M45 VanDerWaalsContact O-N 3.11Å; N42-M45 PolarHBondContact OD1-N 2.92Å; N42-M45 VanDerWaalsContact OD1-N 3.1Å; N42-H46 PolarHBondContact O-CD2 3.33Å; N42-H46 PolarHBondContact O-N 2.97Å; N42-H46 VanDerWaalsContact O-N 3.1Å
43	I	93.3	Very high	87.2	Confident	114 Å²	114	102.8 Å²	102.8	59%	0.585	55%	0.548	S	S	*	.	H	α-helix	trans	-52	-39.9	179.2	-173	70.3	0	0	0	112.5	F41 H46 V47	F41-I43 HydrophobicContact CD1-CB 4.45Å; F41-I43 HydrophobicContact CE1-CB 3.92Å; F41-I43 HydrophobicContact CE1-CD1 3.69Å; F41-I43 HydrophobicContact CE1-CG1 4.41Å; F41-I43 HydrophobicContact CZ-CD1 4.11Å; F41-I43 PolarHBondContact O-N 2.91Å; I43-H46 PolarHBondContact O-N 3.24Å; I43-V47 HydrophobicContact CD1-CG2 4.39Å; I43-V47 HydrophobicContact CG1-CG2 4.37Å; I43-V47 WeakPolarHBondContact O-CB 3.48Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.26Å; I43-V47 PolarHBondContact O-N 2.87Å
44	G	94.1	Very high	88.1	Confident	45 Å²	45	104.3 Å²	104.3	46%	0.464	56%	0.56	S	S	.	*	H	α-helix	trans	-65.5	-43.1	-179	0	0	0	0	0	112	N42 G48	N42-G44 PolarHBondContact O-N 3.32Å; N42-G44 PolarHBondContact OD1-N 3.42Å; N42-G44 VanDerWaalsContact OD1-N 3.12Å; G44-G48 PolarHBondContact O-N 3.26Å
45	M	94.2	Very high	89.3	Confident	90 Å²	90	104.5 Å²	104.5	44%	0.443	55%	0.552	S	S	.	*	H	α-helix	trans	-61.9	-46.8	175.8	-177.2	-179.4	73.1	0	0	111.4	N42 G48 L49	N42-M45 HydrophobicContact CB-CB 3.93Å; N42-M45 WeakPolarHBondContact O-CB 3.32Å; N42-M45 PolarHBondContact O-N 2.86Å; N42-M45 VanDerWaalsContact O-N 3.11Å; N42-M45 PolarHBondContact OD1-N 2.92Å; N42-M45 VanDerWaalsContact OD1-N 3.1Å; M45-G48 PolarHBondContact O-N 3.29Å; M45-L49 HydrophobicContact CG-CD1 3.98Å; M45-L49 WeakPolarHBondContact O-CB 3.39Å; M45-L49 WeakPolarHBondContact O-CG 3.22Å; M45-L49 PolarHBondContact O-N 3.44Å
46	H	93.4	Very high	90.7	Very high	76 Å²	76	97.1 Å²	97.1	35%	0.352	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-41.8	-179.3	-74.9	-70.4	0	0	0	112.5	F41 N42 I43 S50	F41-H46 AromaticContact CD2-CD2 3.49Å; F41-H46 VanDerWaalsContact CD2-CD2 3.49Å; F41-H46 WeakPolarHBondContact CD2-CD2 3.49Å; F41-H46 AromaticContact CD2-NE2 3.48Å; F41-H46 WeakPolarHBondContact CD2-NE2 3.44Å; F41-H46 HydrophobicContact CE2-CB 4.43Å; F41-H46 AromaticContact CE2-CD2 3.08Å; F41-H46 WeakPolarHBondContact CE2-CD2 3.31Å; F41-H46 AromaticContact CE2-CG 3.74Å; F41-H46 AromaticContact CE2-NE2 3.4Å; F41-H46 WeakPolarHBondContact CE2-NE2 3.42Å; F41-H46 HydrophobicContact CZ-CB 4.32Å; F41-H46 AromaticContact CZ-CD2 3.63Å; N42-H46 PolarHBondContact O-CD2 3.33Å; N42-H46 PolarHBondContact O-N 2.97Å; N42-H46 VanDerWaalsContact O-N 3.1Å; I43-H46 PolarHBondContact O-N 3.24Å; H46-S50 VanDerWaalsContact O-CB 3.26Å; H46-S50 WeakPolarHBondContact O-CB 3.17Å; H46-S50 PolarHBondContact O-N 2.9Å; H46-S50 PolarHBondContact O-OG 2.95Å
47	V	96.8	Very high	92.2	Very high	73 Å²	73	95 Å²	95	44%	0.442	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-46.6	174.6	171.9	0	0	0	0	110.3	I43 L49 S50 L51	I43-V47 HydrophobicContact CD1-CG2 4.39Å; I43-V47 HydrophobicContact CG1-CG2 4.37Å; I43-V47 WeakPolarHBondContact O-CB 3.48Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.26Å; I43-V47 PolarHBondContact O-N 2.87Å; V47-L49 PolarHBondContact O-N 3.49Å; V47-S50 PolarHBondContact O-N 2.9Å; V47-L51 HydrophobicContact CG1-CD1 3.91Å; V47-L51 HydrophobicContact CG1-CG 4.33Å; V47-L51 WeakPolarHBondContact O-CB 3.45Å; V47-L51 VanDerWaalsContact O-CG 3.3Å; V47-L51 WeakPolarHBondContact O-CG 3.3Å; V47-L51 PolarHBondContact O-N 2.69Å
48	G	96.9	Very high	93.5	Very high	39 Å²	39	92.5 Å²	92.5	40%	0.402	52%	0.519	S	S	.	.	H	α-helix	trans	-58.1	-48.8	177.8	0	0	0	0	0	112.7	G44 M45 L51 L52	G44-G48 PolarHBondContact O-N 3.26Å; M45-G48 PolarHBondContact O-N 3.29Å; G48-L51 PolarHBondContact O-N 2.9Å; G48-L52 WeakPolarHBondContact O-CB 3.27Å; G48-L52 PolarHBondContact O-N 2.76Å
49	L	96.1	Very high	94.4	Very high	83 Å²	83	90 Å²	90	44%	0.435	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.5	-76.9	170.9	0	0	0	111.9	M45 V47 L51 L52 I53	M45-L49 HydrophobicContact CG-CD1 3.98Å; M45-L49 WeakPolarHBondContact O-CB 3.39Å; M45-L49 WeakPolarHBondContact O-CG 3.22Å; M45-L49 PolarHBondContact O-N 3.44Å; V47-L49 PolarHBondContact O-N 3.49Å; L49-L51 PolarHBondContact O-N 3.48Å; L49-L52 PolarHBondContact O-N 2.99Å; L49-I53 WeakPolarHBondContact O-CB 3.27Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.28Å
50	S	97	Very high	95.2	Very high	75 Å²	75	92.3 Å²	92.3	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-44.1	179.2	-59.8	0	0	0	0	111.7	H46 V47 N54	H46-S50 VanDerWaalsContact O-CB 3.26Å; H46-S50 WeakPolarHBondContact O-CB 3.17Å; H46-S50 PolarHBondContact O-N 2.9Å; H46-S50 PolarHBondContact O-OG 2.95Å; V47-S50 PolarHBondContact O-N 2.9Å; S50-N54 WeakPolarHBondContact O-CB 3.34Å; S50-N54 PolarHBondContact O-N 2.93Å
51	L	97.5	Very high	95.8	Very high	88 Å²	88	86.8 Å²	86.8	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-64.2	-45.7	175.3	-68.6	174.1	0	0	0	111.2	V47 G48 L49 I53 N54 Y55	V47-L51 HydrophobicContact CG1-CD1 3.91Å; V47-L51 HydrophobicContact CG1-CG 4.33Å; V47-L51 WeakPolarHBondContact O-CB 3.45Å; V47-L51 VanDerWaalsContact O-CG 3.3Å; V47-L51 WeakPolarHBondContact O-CG 3.3Å; V47-L51 PolarHBondContact O-N 2.69Å; G48-L51 PolarHBondContact O-N 2.9Å; L49-L51 PolarHBondContact O-N 3.48Å; L51-I53 PolarHBondContact O-N 3.38Å; L51-N54 PolarHBondContact O-N 3.46Å; L51-Y55 HydrophobicContact CB-CD2 4.36Å; L51-Y55 HydrophobicContact CD2-CD2 4.44Å; L51-Y55 HydrophobicContact CD2-CE2 4Å; L51-Y55 WeakPolarHBondContact O-CB 3.27Å; L51-Y55 VanDerWaalsContact O-CD2 3.32Å; L51-Y55 WeakPolarHBondContact O-CD2 3.48Å; L51-Y55 PolarHBondContact O-N 3.37Å
52	L	97.9	Very high	96.3	Very high	123 Å²	123	84.1 Å²	84.1	64%	0.644	48%	0.484	S	S	*	.	H	α-helix	trans	-59.4	-47.3	179.5	-179.3	64.2	0	0	0	111.6	G48 L49 G56	G48-L52 WeakPolarHBondContact O-CB 3.27Å; G48-L52 PolarHBondContact O-N 2.76Å; L49-L52 PolarHBondContact O-N 2.99Å; L52-G56 WeakPolarHBondContact O-CA 3.08Å; L52-G56 PolarHBondContact O-N 3.46Å
53	I	97.8	Very high	96.6	Very high	104 Å²	104	84.5 Å²	84.5	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-49.3	177.8	-67.6	166.3	0	0	0	110	L49 L51 G56 I57	L49-I53 WeakPolarHBondContact O-CB 3.27Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.28Å; L51-I53 PolarHBondContact O-N 3.38Å; I53-G56 PolarHBondContact O-N 2.85Å; I53-I57 HydrophobicContact CG2-CD1 3.82Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.49Å; I53-I57 PolarHBondContact O-N 3.42Å
54	N	97.5	Very high	96.8	Very high	86 Å²	86	85.5 Å²	85.5	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-51.9	-176.3	-173.3	49	0	0	0	112	S50 L51 G56 I57 L58	S50-N54 WeakPolarHBondContact O-CB 3.34Å; S50-N54 PolarHBondContact O-N 2.93Å; L51-N54 PolarHBondContact O-N 3.46Å; N54-G56 VanDerWaalsContact C-N 3.32Å; N54-G56 PolarHBondContact O-N 3.37Å; N54-I57 PolarHBondContact O-N 2.93Å; N54-L58 WeakPolarHBondContact O-CB 3.28Å; N54-L58 WeakPolarHBondContact O-CG 3.4Å; N54-L58 PolarHBondContact O-N 3.26Å
55	Y	97.6	Very high	96.9	Very high	152 Å²	152	88.2 Å²	88.2	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-68.3	-32	177.5	-78.3	-71.5	0	0	0	112.5	L51 L58 S59	L51-Y55 HydrophobicContact CB-CD2 4.36Å; L51-Y55 HydrophobicContact CD2-CD2 4.44Å; L51-Y55 HydrophobicContact CD2-CE2 4Å; L51-Y55 WeakPolarHBondContact O-CB 3.27Å; L51-Y55 VanDerWaalsContact O-CD2 3.32Å; L51-Y55 WeakPolarHBondContact O-CD2 3.48Å; L51-Y55 PolarHBondContact O-N 3.37Å; Y55-L58 PolarHBondContact O-N 2.85Å; Y55-S59 WeakPolarHBondContact O-CB 3.4Å; Y55-S59 PolarHBondContact O-N 3.39Å
56	G	98	Very high	97	Very high	32 Å²	32	87.1 Å²	87.1	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-60.9	-47.6	173.7	0	0	0	0	0	112.1	L52 I53 N54 T60	L52-G56 WeakPolarHBondContact O-CA 3.08Å; L52-G56 PolarHBondContact O-N 3.46Å; I53-G56 PolarHBondContact O-N 2.85Å; N54-G56 VanDerWaalsContact C-N 3.32Å; N54-G56 PolarHBondContact O-N 3.37Å; G56-T60 WeakPolarHBondContact O-CB 3.43Å; G56-T60 PolarHBondContact O-N 2.91Å; G56-T60 PolarHBondContact O-OG1 3.1Å
57	I	98.1	Very high	97.1	Very high	112 Å²	112	88.7 Å²	88.7	57%	0.574	50%	0.496	S	S	*	.	H	α-helix	trans	-64.1	-48.7	176.6	-66.8	167.7	0	0	0	110.5	I53 N54 S59 T60 A61	I53-I57 HydrophobicContact CG2-CD1 3.82Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.49Å; I53-I57 PolarHBondContact O-N 3.42Å; N54-I57 PolarHBondContact O-N 2.93Å; I57-S59 PolarHBondContact O-N 3.24Å; I57-T60 PolarHBondContact O-N 3.12Å; I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 3.39Å
58	L	97.4	Very high	97	Very high	89 Å²	89	87.7 Å²	87.7	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-46.2	179.9	-73.2	171.8	0	0	0	112	N54 Y55 T60 A61 V62	N54-L58 WeakPolarHBondContact O-CB 3.28Å; N54-L58 WeakPolarHBondContact O-CG 3.4Å; N54-L58 PolarHBondContact O-N 3.26Å; Y55-L58 PolarHBondContact O-N 2.85Å; L58-T60 PolarHBondContact O-N 2.9Å; L58-A61 PolarHBondContact O-N 2.97Å; L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 3.1Å
59	S	97	Very high	96.7	Very high	65 Å²	65	89.2 Å²	89.2	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-60.3	-45.9	177.7	-178	0	0	0	0	111.2	Y55 I57 A61 V62 L63	Y55-S59 WeakPolarHBondContact O-CB 3.4Å; Y55-S59 PolarHBondContact O-N 3.39Å; I57-S59 PolarHBondContact O-N 3.24Å; S59-A61 PolarHBondContact O-N 3.09Å; S59-V62 PolarHBondContact O-N 3.11Å; S59-L63 WeakPolarHBondContact O-CB 3.38Å; S59-L63 WeakPolarHBondContact O-CG 3.38Å; S59-L63 PolarHBondContact O-N 3.12Å
60	T	97.7	Very high	96.5	Very high	94 Å²	94	92.7 Å²	92.7	58%	0.577	51%	0.507	S	S	*	.	H	α-helix	trans	-61.2	-44.9	177.2	-55.9	0	0	0	0	111.5	G56 I57 L58 L63 F64	G56-T60 WeakPolarHBondContact O-CB 3.43Å; G56-T60 PolarHBondContact O-N 2.91Å; G56-T60 PolarHBondContact O-OG1 3.1Å; I57-T60 PolarHBondContact O-N 3.12Å; L58-T60 PolarHBondContact O-N 2.9Å; T60-L63 PolarHBondContact O-N 3.21Å; T60-F64 VanDerWaalsContact O-CB 3.29Å; T60-F64 WeakPolarHBondContact O-CB 3.34Å; T60-F64 PolarHBondContact O-N 3.41Å
61	A	96.8	Very high	96.2	Very high	48 Å²	48	92.4 Å²	92.4	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-45.6	177.8	0	0	0	0	0	112	I57 L58 S59 F64 I65	I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 3.39Å; L58-A61 PolarHBondContact O-N 2.97Å; S59-A61 PolarHBondContact O-N 3.09Å; A61-F64 PolarHBondContact O-N 3.21Å; A61-I65 VanDerWaalsContact O-CG1 3.27Å; A61-I65 WeakPolarHBondContact O-CG1 3.37Å; A61-I65 PolarHBondContact O-N 3.46Å
62	V	97.3	Very high	95.8	Very high	88 Å²	88	94.2 Å²	94.2	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-46.9	177.6	171.2	0	0	0	0	111.1	L58 S59 F64 I65 V66	L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 3.1Å; S59-V62 PolarHBondContact O-N 3.11Å; V62-F64 VanDerWaalsContact C-N 3.31Å; V62-F64 PolarHBondContact O-N 3.02Å; V62-I65 PolarHBondContact O-N 3Å; V62-V66 HydrophobicContact CG1-CG2 4.43Å; V62-V66 WeakPolarHBondContact O-CG2 3.44Å; V62-V66 PolarHBondContact O-N 3.11Å
63	L	97.1	Very high	94.5	Very high	99 Å²	99	90.7 Å²	90.7	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-58.5	-45.2	176.6	-79.3	167.8	0	0	0	111.5	S59 T60 I65 V66 I67	S59-L63 WeakPolarHBondContact O-CB 3.38Å; S59-L63 WeakPolarHBondContact O-CG 3.38Å; S59-L63 PolarHBondContact O-N 3.12Å; T60-L63 PolarHBondContact O-N 3.21Å; L63-I65 PolarHBondContact O-N 3.47Å; L63-V66 PolarHBondContact O-N 3.18Å; L63-I67 WeakPolarHBondContact O-CB 3.5Å; L63-I67 WeakPolarHBondContact O-CD1 3.36Å; L63-I67 WeakPolarHBondContact O-CG1 3.23Å; L63-I67 PolarHBondContact O-N 2.95Å
64	F	97.2	Very high	92.7	Very high	135 Å²	135	95.8 Å²	95.8	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-59	-47.6	176.9	-179.5	-101	0	0	0	111.7	T60 A61 V62 V66 I67 V68	T60-F64 VanDerWaalsContact O-CB 3.29Å; T60-F64 WeakPolarHBondContact O-CB 3.34Å; T60-F64 PolarHBondContact O-N 3.41Å; A61-F64 PolarHBondContact O-N 3.21Å; V62-F64 VanDerWaalsContact C-N 3.31Å; V62-F64 PolarHBondContact O-N 3.02Å; F64-V66 VanDerWaalsContact C-N 3.34Å; F64-V66 PolarHBondContact O-N 3.47Å; F64-I67 PolarHBondContact O-N 2.99Å; F64-V68 HydrophobicContact CD1-CG2 4.24Å; F64-V68 HydrophobicContact CD2-CG2 4.36Å; F64-V68 HydrophobicContact CE1-CG2 3.83Å; F64-V68 HydrophobicContact CE2-CG2 3.97Å; F64-V68 HydrophobicContact CG-CG2 4.49Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 WeakPolarHBondContact O-CB 3.4Å; F64-V68 WeakPolarHBondContact O-CG2 3.24Å; F64-V68 PolarHBondContact O-N 3.46Å
65	I	95.6	Very high	90.8	Very high	101 Å²	101	100.9 Å²	100.9	52%	0.518	54%	0.544	S	S	.	.	H	α-helix	trans	-58.2	-47.7	176	-67.8	163.7	0	0	0	110.3	A61 V62 L63 I67 V68 S69	A61-I65 VanDerWaalsContact O-CG1 3.27Å; A61-I65 WeakPolarHBondContact O-CG1 3.37Å; A61-I65 PolarHBondContact O-N 3.46Å; V62-I65 PolarHBondContact O-N 3Å; L63-I65 PolarHBondContact O-N 3.47Å; I65-I67 VanDerWaalsContact C-N 3.33Å; I65-I67 PolarHBondContact O-N 3.09Å; I65-V68 PolarHBondContact O-N 3.16Å; I65-S69 VanDerWaalsContact O-CB 3.3Å; I65-S69 WeakPolarHBondContact O-CB 3.44Å; I65-S69 PolarHBondContact O-N 3.21Å; I65-S69 PolarHBondContact O-OG 3.1Å
66	V	96	Very high	88.9	Confident	67 Å²	67	104.7 Å²	104.7	41%	0.406	56%	0.557	S	S	.	*	H	α-helix	trans	-60.1	-43.5	179.2	170.5	0	0	0	0	111.5	V62 L63 F64 K70	V62-V66 HydrophobicContact CG1-CG2 4.43Å; V62-V66 WeakPolarHBondContact O-CG2 3.44Å; V62-V66 PolarHBondContact O-N 3.11Å; L63-V66 PolarHBondContact O-N 3.18Å; F64-V66 VanDerWaalsContact C-N 3.34Å; F64-V66 PolarHBondContact O-N 3.47Å; V66-K70 HydrophobicContact CG1-CD 4.36Å; V66-K70 WeakPolarHBondContact O-CB 3.37Å; V66-K70 WeakPolarHBondContact O-CG 3.3Å; V66-K70 PolarHBondContact O-N 3.47Å
67	I	95.5	Very high	86.8	Confident	109 Å²	109	112.7 Å²	112.7	56%	0.559	58%	0.583	S	S	*	*	H	α-helix	trans	-61.9	-49.5	177.6	-70	163.8	0	0	0	110.2	L63 F64 I65 K70 A71	L63-I67 WeakPolarHBondContact O-CB 3.5Å; L63-I67 WeakPolarHBondContact O-CD1 3.36Å; L63-I67 WeakPolarHBondContact O-CG1 3.23Å; L63-I67 PolarHBondContact O-N 2.95Å; F64-I67 PolarHBondContact O-N 2.99Å; I65-I67 VanDerWaalsContact C-N 3.33Å; I65-I67 PolarHBondContact O-N 3.09Å; I67-K70 PolarHBondContact O-N 3Å; I67-A71 WeakPolarHBondContact O-CB 3.34Å; I67-A71 PolarHBondContact O-N 2.96Å
68	V	94.5	Very high	84.9	Confident	52 Å²	52	118.6 Å²	118.6	32%	0.315	60%	0.598	S	S	.	*	H	α-helix	trans	-64.2	-44.5	180	170.9	0	0	0	0	111.3	F64 I65 K70 A71 L72	F64-V68 HydrophobicContact CD1-CG2 4.24Å; F64-V68 HydrophobicContact CD2-CG2 4.36Å; F64-V68 HydrophobicContact CE1-CG2 3.83Å; F64-V68 HydrophobicContact CE2-CG2 3.97Å; F64-V68 HydrophobicContact CG-CG2 4.49Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 WeakPolarHBondContact O-CB 3.4Å; F64-V68 WeakPolarHBondContact O-CG2 3.24Å; F64-V68 PolarHBondContact O-N 3.46Å; I65-V68 PolarHBondContact O-N 3.16Å; V68-K70 VanDerWaalsContact C-N 3.33Å; V68-K70 PolarHBondContact O-N 3.11Å; V68-A71 PolarHBondContact O-N 3.44Å; V68-L72 HydrophobicContact CG1-CD1 3.59Å; V68-L72 HydrophobicContact CG1-CG 4.32Å; V68-L72 WeakPolarHBondContact O-CB 3.47Å; V68-L72 WeakPolarHBondContact O-CG 3.5Å; V68-L72 PolarHBondContact O-N 2.99Å
69	S	92.5	Very high	82.6	Confident	72 Å²	72	123.8 Å²	123.8	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-61	-40.8	176	-65.5	0	0	0	0	111.8	I65 G73	I65-S69 VanDerWaalsContact O-CB 3.3Å; I65-S69 WeakPolarHBondContact O-CB 3.44Å; I65-S69 PolarHBondContact O-N 3.21Å; I65-S69 PolarHBondContact O-OG 3.1Å; S69-G73 WeakPolarHBondContact O-CA 3.47Å; S69-G73 PolarHBondContact O-N 3.17Å
70	K	91.2	Very high	80.1	Confident	156 Å²	156	127.6 Å²	127.6	68%	0.678	67%	0.669	S	S	*	*	H	α-helix	trans	-66.6	-43.6	174.2	-78.8	-174.7	172.9	-176.3	0	111.7	V66 I67 V68 L72 G73 Y74	V66-K70 HydrophobicContact CG1-CD 4.36Å; V66-K70 WeakPolarHBondContact O-CB 3.37Å; V66-K70 WeakPolarHBondContact O-CG 3.3Å; V66-K70 PolarHBondContact O-N 3.47Å; I67-K70 PolarHBondContact O-N 3Å; V68-K70 VanDerWaalsContact C-N 3.33Å; V68-K70 PolarHBondContact O-N 3.11Å; K70-L72 PolarHBondContact O-N 3.21Å; K70-G73 PolarHBondContact O-N 2.86Å; K70-Y74 WeakPolarHBondContact O-CB 3.31Å; K70-Y74 PolarHBondContact O-N 3.29Å
71	A	90.5	Very high	79.3	Confident	69 Å²	69	129.3 Å²	129.3	57%	0.57	67%	0.674	S	S	*	*	H	α-helix	trans	-63.4	-41.5	179.4	0	0	0	0	0	112.6	I67 V68	I67-A71 WeakPolarHBondContact O-CB 3.34Å; I67-A71 PolarHBondContact O-N 2.96Å; V68-A71 PolarHBondContact O-N 3.44Å
72	L	88.6	Confident	78.3	Confident	126 Å²	126	133.6 Å²	133.6	66%	0.66	69%	0.688	S	S	*	*	H	α-helix	trans	-75.9	-41.9	176.9	-68.4	166.9	0	0	0	112	V68 K70 Y74 K75	V68-L72 HydrophobicContact CG1-CD1 3.59Å; V68-L72 HydrophobicContact CG1-CG 4.32Å; V68-L72 WeakPolarHBondContact O-CB 3.47Å; V68-L72 WeakPolarHBondContact O-CG 3.5Å; V68-L72 PolarHBondContact O-N 2.99Å; K70-L72 PolarHBondContact O-N 3.21Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 PolarHBondContact O-N 2.88Å; L72-K75 PolarHBondContact O-N 3.31Å
73	G	71.3	Confident	77.3	Confident	49 Å²	49	136.1 Å²	136.1	51%	0.505	70%	0.697	S	S	.	*	H	α-helix	trans	-68.7	-27.3	-178.1	0	0	0	0	0	113.9	S69 K70 K75 R76	S69-G73 WeakPolarHBondContact O-CA 3.47Å; S69-G73 PolarHBondContact O-N 3.17Å; K70-G73 PolarHBondContact O-N 2.86Å; G73-K75 PolarHBondContact O-N 3.23Å; G73-K75 VanDerWaalsContact O-N 3.13Å; G73-R76 PolarHBondContact O-N 3.45Å; G73-R76 VanDerWaalsContact O-N 3.16Å
74	Y	58.9	Low	76.1	Confident	210 Å²	210	138.3 Å²	138.3	82%	0.824	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-62.5	-20.3	177.3	-154.9	-97.2	0	0	0	112.8	K70 L72 R76	K70-Y74 WeakPolarHBondContact O-CB 3.31Å; K70-Y74 PolarHBondContact O-N 3.29Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 PolarHBondContact O-N 2.88Å; Y74-R76 PolarHBondContact O-N 3.15Å
75	K	59	Low	74.8	Confident	194 Å²	194	138.5 Å²	138.5	84%	0.843	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-70.7	-11	176.6	-71.9	-159.2	176.8	-170.1	0	114.7	L72 G73	L72-K75 PolarHBondContact O-N 3.31Å; G73-K75 PolarHBondContact O-N 3.23Å; G73-K75 VanDerWaalsContact O-N 3.13Å
76	R	56.3	Low	73.4	Confident	232 Å²	232	141 Å²	141	88%	0.875	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-98.6	8.7	-169.6	-148.9	179.2	172	172.7	-1.3	117.1	G73 Y74	G73-R76 PolarHBondContact O-N 3.45Å; G73-R76 VanDerWaalsContact O-N 3.16Å; Y74-R76 PolarHBondContact O-N 3.15Å
77	K	55.2	Low	71.8	Confident	200 Å²	200	146.3 Å²	146.3	87%	0.87	75%	0.751	S	S	*	*	S	Bend	trans	-143.7	75.7	175.3	-83.5	-169	173.3	-178.2	0	114.1
78	R	57.1	Low	70	Confident	236 Å²	236	149.2 Å²	149.2	89%	0.891	77%	0.766	S	S	*	*			trans	-158.9	60.7	153.7	-122.1	-176	-173.1	-172.5	2.4	111.5
79	H	49.8	Very low	67.9	Low	197 Å²	197	157.3 Å²	157.3	91%	0.912	80%	0.803	S	S	*	*			trans	-133	78.3	153.6	-77.9	93.9	0	0	0	105.2
80	G	45	Very low	65.7	Low	146 Å²	146	165 Å²	165	100%	1.505	83%	0.83	S	S	*	*			trans	-86	0	140.4	0	0	0	0	0	107

Retrieved 80 of 80 residues in 55.4 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).