A0A5K4FEG2_SCHMA Loading...

MYND-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 aa.

						>A0A5K4FEG2_SCHMA|A0A5K4FEG2
MLYAIEKYRNQRINENEPDAITCNPAKPDPKVQLYLTLSMLNYILERKQESIQYLIEAKVAAEFMVQHPKITANINLMERALGEKK
					

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	59.9	Low	68.3	Low	151 Å²	151	114.1 Å²	114.1	74%	0.744	54%	0.538	S	S	*	.				0	-51.6	0	-147.5	163.7	-163.6	0	0	111.5	Y3 A4 I5 Y43 A81	M1-Y3 PolarHBondContact O-N 3.12Å; M1-A4 PolarHBondContact O-N 2.84Å; M1-A4 VanDerWaalsContact O-N 3.16Å; M1-I5 PolarHBondContact O-N 3Å; M1-Y43 WeakPolarHBondContact CE-OH 3.36Å; M1-A81 HydrophobicContact CE-CB 4.42Å
2	L	68.8	Low	68	Low	134 Å²	134	110.7 Å²	110.7	70%	0.702	52%	0.517	S	S	*	.	H	α-helix	trans	-52.3	-46.9	177.9	-69.4	165.6	0	0	0	114.5	A4 I5 E6	L2-A4 VanDerWaalsContact C-N 3.26Å; L2-A4 PolarHBondContact O-N 3.16Å; L2-I5 WeakPolarHBondContact O-CB 3.44Å; L2-I5 PolarHBondContact O-N 3.26Å; L2-E6 PolarHBondContact O-N 3.07Å
3	Y	70.7	Confident	67.5	Low	177 Å²	177	109.3 Å²	109.3	69%	0.694	51%	0.513	S	S	*	.	H	α-helix	trans	-57.5	-35.8	179.3	-177.2	-105.4	0	0	0	114	M1 K7	M1-Y3 PolarHBondContact O-N 3.12Å; Y3-K7 WeakPolarHBondContact O-CB 3.33Å; Y3-K7 PolarHBondContact O-N 3.21Å
4	A	68.5	Low	66.9	Low	57 Å²	57	111.6 Å²	111.6	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-69.9	-37.2	178.4	0	0	0	0	0	111.5	M1 L2 Y8	M1-A4 PolarHBondContact O-N 2.84Å; M1-A4 VanDerWaalsContact O-N 3.16Å; L2-A4 VanDerWaalsContact C-N 3.26Å; L2-A4 PolarHBondContact O-N 3.16Å; A4-Y8 VanDerWaalsContact O-CB 3.28Å; A4-Y8 WeakPolarHBondContact O-CB 3.49Å; A4-Y8 PolarHBondContact O-N 3.34Å
5	I	68.6	Low	66.5	Low	82 Å²	82	111.9 Å²	111.9	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-67.4	-44.3	176.8	-60.7	170.9	0	0	0	109.9	M1 L2 Y8 R9	M1-I5 PolarHBondContact O-N 3Å; L2-I5 WeakPolarHBondContact O-CB 3.44Å; L2-I5 PolarHBondContact O-N 3.26Å; I5-Y8 PolarHBondContact O-N 3.38Å; I5-R9 WeakPolarHBondContact O-CB 3.33Å; I5-R9 PolarHBondContact O-N 3.45Å
6	E	70.3	Confident	66	Low	116 Å²	116	111.3 Å²	111.3	54%	0.542	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-45.7	177.5	-72.9	178.7	162.2	0	0	112.2	L2 Y8 R9 N10	L2-E6 PolarHBondContact O-N 3.07Å; E6-Y8 VanDerWaalsContact C-N 3.32Å; E6-Y8 PolarHBondContact O-N 3.38Å; E6-R9 WeakPolarHBondContact O-CB 3.44Å; E6-R9 PolarHBondContact O-N 3.38Å; E6-N10 PolarHBondContact O-N 2.93Å
7	K	75.4	Confident	65.2	Low	113 Å²	113	115.2 Å²	115.2	49%	0.491	55%	0.55	S	S	.	*	H	α-helix	trans	-59.4	-44.4	175.9	-174.1	176.7	179.8	179.7	0	111.4	Y3 N10 Q11	Y3-K7 WeakPolarHBondContact O-CB 3.33Å; Y3-K7 PolarHBondContact O-N 3.21Å; K7-N10 PolarHBondContact O-N 3.35Å; K7-Q11 WeakPolarHBondContact O-CG 3.4Å; K7-Q11 PolarHBondContact O-N 2.97Å; K7-Q11 VanDerWaalsContact O-N 3.07Å
8	Y	67.3	Low	64.2	Low	52 Å²	52	115.2 Å²	115.2	20%	0.204	56%	0.561	C	S	.	*	H	α-helix	trans	-63.4	-41.3	177	176.7	-97.6	0	0	0	112.1	A4 I5 E6 Q11 R12 N74 L77	A4-Y8 VanDerWaalsContact O-CB 3.28Å; A4-Y8 WeakPolarHBondContact O-CB 3.49Å; A4-Y8 PolarHBondContact O-N 3.34Å; I5-Y8 PolarHBondContact O-N 3.38Å; E6-Y8 VanDerWaalsContact C-N 3.32Å; E6-Y8 PolarHBondContact O-N 3.38Å; Y8-Q11 PolarHBondContact O-N 2.94Å; Y8-R12 HydrophobicContact CE1-CG 4.1Å; Y8-R12 HydrophobicContact CE2-CG 4.39Å; Y8-R12 PolarHBondContact O-N 3.03Å; Y8-R12 WeakPolarHBondContact OH-CD 3.43Å; Y8-R12 PolarHBondContact OH-NE 2.87Å; Y8-R12 PolarHBondContact OH-NH1 3.42Å; Y8-N74 WeakPolarHBondContact CE2-OD1 3.39Å; Y8-N74 VanDerWaalsContact CZ-OD1 3.3Å; Y8-N74 PolarHBondContact OH-ND2 3.44Å; Y8-N74 PolarHBondContact OH-OD1 3.2Å; Y8-L77 HydrophobicContact CD1-CD2 4.34Å; Y8-L77 HydrophobicContact CD2-CD2 4.27Å; Y8-L77 HydrophobicContact CE1-CD2 4.37Å; Y8-L77 HydrophobicContact CE2-CD2 4.3Å; Y8-L77 HydrophobicContact CG-CD2 4.29Å
9	R	65.8	Low	63.1	Low	171 Å²	171	116.4 Å²	116.4	65%	0.645	57%	0.57	S	S	*	*	H	α-helix	trans	-60.4	-47.3	175.7	-174.3	-179.8	179.6	-177.7	0.1	111.5	I5 E6 Q11 R12 I13	I5-R9 WeakPolarHBondContact O-CB 3.33Å; I5-R9 PolarHBondContact O-N 3.45Å; E6-R9 WeakPolarHBondContact O-CB 3.44Å; E6-R9 PolarHBondContact O-N 3.38Å; R9-Q11 VanDerWaalsContact C-N 3.32Å; R9-Q11 PolarHBondContact O-N 2.81Å; R9-R12 PolarHBondContact O-N 3.38Å; R9-I13 HydrophobicContact CG-CD1 3.94Å; R9-I13 WeakPolarHBondContact O-CG1 3.36Å; R9-I13 PolarHBondContact O-N 3.09Å
10	N	67.6	Low	62.2	Low	97 Å²	97	114.6 Å²	114.6	52%	0.519	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-39.1	179.6	-68.8	-16.7	0	0	0	111.9	E6 K7 I13 N14	E6-N10 PolarHBondContact O-N 2.93Å; K7-N10 PolarHBondContact O-N 3.35Å; N10-I13 PolarHBondContact O-N 3.35Å; N10-N14 PolarHBondContact O-N 3.2Å
11	Q	68.7	Low	61.5	Low	105 Å²	105	117.5 Å²	117.5	49%	0.491	59%	0.59	S	S	.	*	H	α-helix	trans	-63.8	-41.1	175.1	-73.8	176.8	-28.7	0	0	112.4	K7 Y8 R9 E15	K7-Q11 WeakPolarHBondContact O-CG 3.4Å; K7-Q11 PolarHBondContact O-N 2.97Å; K7-Q11 VanDerWaalsContact O-N 3.07Å; Y8-Q11 PolarHBondContact O-N 2.94Å; R9-Q11 VanDerWaalsContact C-N 3.32Å; R9-Q11 PolarHBondContact O-N 2.81Å; Q11-E15 WeakPolarHBondContact O-CG 3.32Å
12	R	64.3	Low	60.7	Low	73 Å²	73	114.5 Å²	114.5	28%	0.275	58%	0.581	S	S	.	*	H	α-helix	trans	-70.9	-33.4	178.7	-70.9	-156.8	106	175.4	-2.7	114	Y8 R9 N14 E15 N16	Y8-R12 HydrophobicContact CE1-CG 4.1Å; Y8-R12 HydrophobicContact CE2-CG 4.39Å; Y8-R12 PolarHBondContact O-N 3.03Å; Y8-R12 WeakPolarHBondContact OH-CD 3.43Å; Y8-R12 PolarHBondContact OH-NE 2.87Å; Y8-R12 PolarHBondContact OH-NH1 3.42Å; R9-R12 PolarHBondContact O-N 3.38Å; R12-N14 VanDerWaalsContact C-N 3.32Å; R12-E15 PolarHBondContact O-N 3.38Å; R12-N16 PolarHBondContact O-ND2 3.47Å
13	I	61.1	Low	59.5	Low	93 Å²	93	114.4 Å²	114.4	48%	0.477	59%	0.59	S	S	.	*	H	α-helix	trans	-63.7	-43.2	178.5	-69.9	166.5	0	0	0	109.6	R9 N10 E15	R9-I13 HydrophobicContact CG-CD1 3.94Å; R9-I13 WeakPolarHBondContact O-CG1 3.36Å; R9-I13 PolarHBondContact O-N 3.09Å; N10-I13 PolarHBondContact O-N 3.35Å; I13-E15 VanDerWaalsContact C-N 3.26Å; I13-E15 PolarHBondContact O-N 3Å
14	N	59.6	Low	58.3	Low	142 Å²	142	109.5 Å²	109.5	76%	0.759	58%	0.575	S	S	*	*	H	α-helix	trans	-68.8	-19	-179.2	-70.6	-8.6	0	0	0	114.4	N10 R12	N10-N14 PolarHBondContact O-N 3.2Å; R12-N14 VanDerWaalsContact C-N 3.32Å
15	E	61.4	Low	57.4	Low	115 Å²	115	112.4 Å²	112.4	54%	0.537	59%	0.59	S	S	.	*	H	α-helix	trans	-100.4	-6.6	-175	-71.4	-179.2	170.3	0	0	114.6	Q11 R12 I13 K70	Q11-E15 WeakPolarHBondContact O-CG 3.32Å; R12-E15 PolarHBondContact O-N 3.38Å; I13-E15 VanDerWaalsContact C-N 3.26Å; I13-E15 PolarHBondContact O-N 3Å; E15-K70 WeakPolarHBondContact OE2-CE 3.43Å; E15-K70 IonicContact OE2-NZ 2.63Å; E15-K70 PolarHBondContact OE2-NZ 3.5Å
16	N	58.6	Low	56.9	Low	103 Å²	103	111.5 Å²	111.5	55%	0.551	60%	0.595	S	S	*	*			trans	-116.5	9.6	-167.6	-73.4	-38.1	0	0	0	115.8	R12	R12-N16 PolarHBondContact O-ND2 3.47Å
17	E	52	Low	56.5	Low	178 Å²	178	108.8 Å²	108.8	83%	0.832	58%	0.581	S	S	*	*	S	Bend	trans	-89.4	129.4	166.1	-69.7	-174.1	154.5	0	0	109.7
18	P	46.6	Very low	56.2	Low	115 Å²	115	104.5 Å²	104.5	75%	0.747	56%	0.564	S	S	*	*	S	Bend	cis	-126.7	119.1	-39.6	32.2	-14.7	0	0	0	110.1
19	D	44.6	Very low	56.8	Low	138 Å²	138	105.1 Å²	105.1	74%	0.738	57%	0.572	S	S	*	*			trans	-141.8	88.2	173.7	-112	-15.3	0	0	0	112.8	I21 K27	D19-I21 PolarHBondContact O-N 3.23Å; D19-K27 PolarHBondContact O-NZ 3.05Å
20	A	44.6	Very low	57.7	Low	79 Å²	79	101.3 Å²	101.3	65%	0.653	57%	0.569	S	S	*	*			trans	-44.6	131	176.2	0	0	0	0	0	113.4	T22 K27	A20-T22 PolarHBondContact O-N 3.43Å; A20-T22 PolarHBondContact O-OG1 2.96Å; A20-K27 PolarHBondContact O-NZ 3.4Å
21	I	47.4	Very low	58.7	Low	176 Å²	176	102.3 Å²	102.3	90%	0.903	57%	0.568	S	S	*	*	S	Bend	trans	24.9	66.4	140.3	-38.7	176.3	0	0	0	115.4	D19	D19-I21 PolarHBondContact O-N 3.23Å
22	T	43	Very low	59.6	Low	88 Å²	88	97.3 Å²	97.3	54%	0.54	55%	0.545	S	S	.	.			trans	-134.5	130.4	169.2	35.1	0	0	0	0	106.3	A20 N24 K27	A20-T22 PolarHBondContact O-N 3.43Å; A20-T22 PolarHBondContact O-OG1 2.96Å; T22-N24 PolarHBondContact O-N 3.06Å; T22-K27 VanDerWaalsContact O-CD 3.29Å; T22-K27 WeakPolarHBondContact O-CD 3.48Å; T22-K27 PolarHBondContact OG1-NZ 3.03Å
23	C	43.3	Very low	60.8	Low	132 Å²	132	97.2 Å²	97.2	89%	0.892	55%	0.548	S	S	*	.			trans	-63.5	72.3	171.7	-85.8	0	0	0	0	109.7
24	N	45	Very low	62.3	Low	74 Å²	74	97.7 Å²	97.7	40%	0.396	55%	0.551	S	S	.	*			trans	-79.7	127.8	168	-167.2	-16.4	0	0	0	105.9	T22 A26 K27	T22-N24 PolarHBondContact O-N 3.06Å; N24-A26 PolarHBondContact O-N 3.36Å; N24-A26 WeakPolarHBondContact OD1-CB 3.47Å; N24-A26 PolarHBondContact OD1-N 3.22Å; N24-K27 HydrophobicContact CB-CB 4.13Å; N24-K27 HydrophobicContact CB-CD 3.85Å; N24-K27 HydrophobicContact CB-CG 3.86Å; N24-K27 WeakPolarHBondContact O-CA 3.5Å; N24-K27 WeakPolarHBondContact O-CB 3.39Å; N24-K27 PolarHBondContact O-N 2.88Å
25	P	50.9	Low	63.9	Low	119 Å²	119	93.2 Å²	93.2	77%	0.773	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.6	170.9	22.6	-33	0	0	0	112.8
26	A	58	Low	65.4	Low	63 Å²	63	87.9 Å²	87.9	52%	0.521	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.2	168.7	0	0	0	0	0	114.5	N24 H68	N24-A26 PolarHBondContact O-N 3.36Å; N24-A26 WeakPolarHBondContact OD1-CB 3.47Å; N24-A26 PolarHBondContact OD1-N 3.22Å; A26-H68 PolarHBondContact O-CD2 3.36Å; A26-H68 PolarHBondContact O-NE2 3.43Å
27	K	61	Low	67.1	Low	58 Å²	58	86.6 Å²	86.6	25%	0.252	50%	0.495	S	S	.	.	S	Bend	trans	-95.3	133.6	178	-75.8	173.4	-176	178.5	0	108.9	D19 A20 T22 N24	D19-K27 PolarHBondContact O-NZ 3.05Å; A20-K27 PolarHBondContact O-NZ 3.4Å; T22-K27 VanDerWaalsContact O-CD 3.29Å; T22-K27 WeakPolarHBondContact O-CD 3.48Å; T22-K27 PolarHBondContact OG1-NZ 3.03Å; N24-K27 HydrophobicContact CB-CB 4.13Å; N24-K27 HydrophobicContact CB-CD 3.85Å; N24-K27 HydrophobicContact CB-CG 3.86Å; N24-K27 WeakPolarHBondContact O-CA 3.5Å; N24-K27 WeakPolarHBondContact O-CB 3.39Å; N24-K27 PolarHBondContact O-N 2.88Å
28	P	69.9	Low	69.1	Low	23 Å²	23	80.3 Å²	80.3	15%	0.149	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-64.7	148.2	-177.6	5.1	-1.7	0	0	0	111.4	Q33 H68 I71	P28-Q33 HydrophobicContact CB-CG 3.9Å; P28-Q33 VanDerWaalsContact CD-NE2 3.26Å; P28-Q33 HydrophobicContact CG-CG 4.04Å; P28-Q33 PolarHBondContact O-NE2 3.41Å; P28-H68 HydrophobicContact CB-CB 4.36Å; P28-I71 HydrophobicContact CB-CD1 3.6Å; P28-I71 HydrophobicContact CB-CG1 3.47Å; P28-I71 VanDerWaalsContact CB-CG1 3.47Å; P28-I71 HydrophobicContact CG-CD1 4.12Å; P28-I71 HydrophobicContact CG-CG1 4.15Å
29	D	79.7	Confident	71.3	Confident	66 Å²	66	74.8 Å²	74.8	35%	0.353	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-49.1	121.8	177.6	-174.7	-47.6	0	0	0	110.3	K31 V32 Q33 M65	D29-K31 PolarHBondContact O-N 3.39Å; D29-K31 VanDerWaalsContact O-N 3.12Å; D29-K31 WeakPolarHBondContact OD1-CA 3.45Å; D29-K31 WeakPolarHBondContact OD1-CB 3.44Å; D29-K31 PolarHBondContact OD1-N 3.27Å; D29-V32 HydrophobicContact CB-CB 4.3Å; D29-V32 HydrophobicContact CB-CG2 3.82Å; D29-V32 PolarHBondContact O-N 3.07Å; D29-Q33 PolarHBondContact O-N 3.16Å; D29-M65 HydrophobicContact CB-CB 4.09Å; D29-M65 HydrophobicContact CB-SD 4.2Å
30	P	84.6	Confident	73.7	Confident	91 Å²	91	69.8 Å²	69.8	59%	0.591	40%	0.403	S	S	*	.	H	α-helix	trans	-54.5	-31.8	-178	-27.1	34.6	0	0	0	113.6	Q33 L34	P30-Q33 PolarHBondContact O-N 3.35Å; P30-L34 WeakPolarHBondContact O-CB 3.26Å; P30-L34 PolarHBondContact O-N 2.96Å
31	K	87.6	Confident	76.1	Confident	117 Å²	117	70.2 Å²	70.2	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-45.5	178	-166.8	-176	-171.8	-171.2	0	111	D29 Q33 L34 Y35	D29-K31 PolarHBondContact O-N 3.39Å; D29-K31 VanDerWaalsContact O-N 3.12Å; D29-K31 WeakPolarHBondContact OD1-CA 3.45Å; D29-K31 WeakPolarHBondContact OD1-CB 3.44Å; D29-K31 PolarHBondContact OD1-N 3.27Å; K31-Q33 VanDerWaalsContact C-N 3.33Å; K31-L34 PolarHBondContact O-N 3.41Å; K31-Y35 HydrophobicContact CD-CE2 3.99Å; K31-Y35 WeakPolarHBondContact CE-OH 3.28Å; K31-Y35 HydrophobicContact CG-CD2 4.05Å; K31-Y35 HydrophobicContact CG-CE2 3.55Å; K31-Y35 VanDerWaalsContact O-CD2 3.28Å; K31-Y35 WeakPolarHBondContact O-CD2 3.42Å; K31-Y35 PolarHBondContact O-N 2.96Å
32	V	89.6	Confident	78.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-41.7	177.4	-174.8	0	0	0	0	110.5	D29 L34 Y35 L36 A61 A62 M65 I71	D29-V32 HydrophobicContact CB-CB 4.3Å; D29-V32 HydrophobicContact CB-CG2 3.82Å; D29-V32 PolarHBondContact O-N 3.07Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 2.97Å; V32-Y35 PolarHBondContact O-N 3.48Å; V32-L36 HydrophobicContact CG1-CD1 4.23Å; V32-L36 WeakPolarHBondContact O-CB 3.37Å; V32-L36 WeakPolarHBondContact O-CG 3.49Å; V32-L36 PolarHBondContact O-N 3.01Å; V32-A61 VanDerWaalsContact CG2-C 3.49Å; V32-A61 HydrophobicContact CG2-CB 3.56Å; V32-A62 HydrophobicContact CG1-CB 4.03Å; V32-M65 HydrophobicContact CB-SD 4.15Å; V32-M65 HydrophobicContact CG1-SD 4.2Å; V32-M65 HydrophobicContact CG2-CG 4.39Å; V32-M65 HydrophobicContact CG2-SD 3.81Å; V32-I71 HydrophobicContact CG1-CD1 4.14Å; V32-I71 HydrophobicContact CG1-CG1 4.5Å; V32-I71 HydrophobicContact CG1-CG2 3.57Å
33	Q	89	Confident	80.8	Confident	72 Å²	72	61.5 Å²	61.5	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-43.5	175.3	-66.4	-173.1	28.1	0	0	112.1	P28 D29 P30 K31 T37 I71	P28-Q33 HydrophobicContact CB-CG 3.9Å; P28-Q33 VanDerWaalsContact CD-NE2 3.26Å; P28-Q33 HydrophobicContact CG-CG 4.04Å; P28-Q33 PolarHBondContact O-NE2 3.41Å; D29-Q33 PolarHBondContact O-N 3.16Å; P30-Q33 PolarHBondContact O-N 3.35Å; K31-Q33 VanDerWaalsContact C-N 3.33Å; Q33-T37 WeakPolarHBondContact O-CB 3.36Å; Q33-T37 PolarHBondContact O-N 3.48Å; Q33-T37 PolarHBondContact O-OG1 2.87Å; Q33-I71 HydrophobicContact CG-CD1 4.15Å
34	L	91.3	Very high	83.3	Confident	102 Å²	102	60.9 Å²	60.9	53%	0.534	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-50.2	179.3	-179.3	61.6	0	0	0	110.9	P30 K31 V32 L36 T37 L38	P30-L34 WeakPolarHBondContact O-CB 3.26Å; P30-L34 PolarHBondContact O-N 2.96Å; K31-L34 PolarHBondContact O-N 3.41Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 2.97Å; L34-L36 PolarHBondContact O-N 2.97Å; L34-T37 WeakPolarHBondContact O-CB 3.02Å; L34-T37 PolarHBondContact O-N 3.37Å; L34-T37 VanDerWaalsContact O-N 3.17Å; L34-L38 HydrophobicContact CD1-CD1 4.27Å; L34-L38 HydrophobicContact CD1-CG 4.36Å; L34-L38 HydrophobicContact CG-CD1 4.07Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.31Å
35	Y	93.8	Very high	85.7	Confident	49 Å²	49	61.5 Å²	61.5	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-41.4	178.7	-68.6	-43.6	0	0	0	112.9	K31 V32 T37 L38 S39 Y54 E57 A61	K31-Y35 HydrophobicContact CD-CE2 3.99Å; K31-Y35 WeakPolarHBondContact CE-OH 3.28Å; K31-Y35 HydrophobicContact CG-CD2 4.05Å; K31-Y35 HydrophobicContact CG-CE2 3.55Å; K31-Y35 VanDerWaalsContact O-CD2 3.28Å; K31-Y35 WeakPolarHBondContact O-CD2 3.42Å; K31-Y35 PolarHBondContact O-N 2.96Å; V32-Y35 PolarHBondContact O-N 3.48Å; Y35-T37 VanDerWaalsContact C-N 3.33Å; Y35-T37 PolarHBondContact O-N 3.37Å; Y35-L38 PolarHBondContact O-N 3.45Å; Y35-S39 WeakPolarHBondContact O-CB 3.09Å; Y35-S39 PolarHBondContact O-N 2.91Å; Y35-Y54 AromaticContact CD1-CD1 3.99Å; Y35-Y54 HydrophobicContact CD1-CD1 3.99Å; Y35-E57 HydrophobicContact CD1-CB 4.02Å; Y35-E57 WeakPolarHBondContact CD1-OE2 3.34Å; Y35-E57 HydrophobicContact CD2-CB 3.94Å; Y35-E57 HydrophobicContact CE1-CB 4.1Å; Y35-E57 WeakPolarHBondContact CE1-OE2 3.49Å; Y35-E57 HydrophobicContact CE2-CB 3.99Å; Y35-E57 HydrophobicContact CG-CB 3.95Å; Y35-A61 HydrophobicContact CD2-CB 4.15Å; Y35-A61 HydrophobicContact CE2-CB 4.28Å
36	L	93.4	Very high	87.7	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-41.7	173.8	-78.7	173.9	0	0	0	112.2	V32 L34 L38 S39 M40 L55 A58 I71 N74 I75	V32-L36 HydrophobicContact CG1-CD1 4.23Å; V32-L36 WeakPolarHBondContact O-CB 3.37Å; V32-L36 WeakPolarHBondContact O-CG 3.49Å; V32-L36 PolarHBondContact O-N 3.01Å; L34-L36 PolarHBondContact O-N 2.97Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-S39 PolarHBondContact O-N 2.83Å; L36-M40 WeakPolarHBondContact O-CB 3.34Å; L36-M40 VanDerWaalsContact O-CG 3.27Å; L36-M40 WeakPolarHBondContact O-CG 3.37Å; L36-M40 PolarHBondContact O-N 3.33Å; L36-L55 HydrophobicContact CD2-CD1 4.28Å; L36-A58 HydrophobicContact CD2-CB 3.86Å; L36-A58 HydrophobicContact CG-CB 3.81Å; L36-I71 HydrophobicContact CD1-CB 4.49Å; L36-I71 HydrophobicContact CD1-CD1 3.71Å; L36-I71 HydrophobicContact CD1-CG2 3.93Å; L36-N74 HydrophobicContact CD1-CB 3.76Å; L36-N74 HydrophobicContact CD2-CB 4.33Å; L36-I75 HydrophobicContact CD1-CG1 4.4Å; L36-I75 HydrophobicContact CD2-CG1 3.84Å
37	T	93.1	Very high	89.3	Confident	76 Å²	76	67.9 Å²	67.9	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-43.1	177.6	-56.7	0	0	0	0	110.8	Q33 L34 Y35 M40 L41	Q33-T37 WeakPolarHBondContact O-CB 3.36Å; Q33-T37 PolarHBondContact O-N 3.48Å; Q33-T37 PolarHBondContact O-OG1 2.87Å; L34-T37 WeakPolarHBondContact O-CB 3.02Å; L34-T37 PolarHBondContact O-N 3.37Å; L34-T37 VanDerWaalsContact O-N 3.17Å; Y35-T37 VanDerWaalsContact C-N 3.33Å; Y35-T37 PolarHBondContact O-N 3.37Å; T37-M40 PolarHBondContact O-N 3.17Å; T37-L41 VanDerWaalsContact O-CB 3.32Å; T37-L41 WeakPolarHBondContact O-CB 3.46Å; T37-L41 PolarHBondContact O-N 3.32Å
38	L	94.6	Very high	90.8	Very high	46 Å²	46	71.2 Å²	71.2	24%	0.241	35%	0.348	C	S	.	.	H	α-helix	trans	-65	-40.9	175.9	-71.6	171.2	0	0	0	111.9	L34 Y35 L36 L41 N42 Y54	L34-L38 HydrophobicContact CD1-CD1 4.27Å; L34-L38 HydrophobicContact CD1-CG 4.36Å; L34-L38 HydrophobicContact CG-CD1 4.07Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.31Å; Y35-L38 PolarHBondContact O-N 3.45Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L38-L41 PolarHBondContact O-N 3.29Å; L38-N42 WeakPolarHBondContact O-CB 3.47Å; L38-N42 PolarHBondContact O-N 3.48Å; L38-N42 PolarHBondContact O-ND2 2.75Å; L38-Y54 HydrophobicContact CB-CD1 4Å; L38-Y54 HydrophobicContact CB-CD2 3.75Å; L38-Y54 HydrophobicContact CB-CE1 4.31Å; L38-Y54 HydrophobicContact CB-CE2 4.07Å; L38-Y54 HydrophobicContact CB-CG 3.71Å; L38-Y54 HydrophobicContact CD1-CD1 4Å; L38-Y54 HydrophobicContact CD1-CE1 3.72Å
39	S	94	Very high	92	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.9	-47.7	175.6	-178.3	0	0	0	0	111.2	Y35 L36 N42 Y43 S51 M78	Y35-S39 WeakPolarHBondContact O-CB 3.09Å; Y35-S39 PolarHBondContact O-N 2.91Å; L36-S39 PolarHBondContact O-N 2.83Å; S39-N42 PolarHBondContact O-N 3.01Å; S39-Y43 WeakPolarHBondContact O-CB 3.47Å; S39-Y43 PolarHBondContact O-N 3.01Å; S39-S51 WeakPolarHBondContact CB-O 3.49Å; S39-S51 WeakPolarHBondContact O-CB 3.36Å; S39-S51 PolarHBondContact O-OG 2.94Å; S39-S51 PolarHBondContact OG-O 3.02Å; S39-M78 WeakPolarHBondContact OG-CE 3.49Å
40	M	94	Very high	92.7	Very high	32 Å²	32	77.5 Å²	77.5	16%	0.158	37%	0.374	C	S	.	.	H	α-helix	trans	-62.1	-43	176	-72.2	174	-179.4	0	0	112.4	L36 T37 Y43 I44 N74 L77 M78	L36-M40 WeakPolarHBondContact O-CB 3.34Å; L36-M40 VanDerWaalsContact O-CG 3.27Å; L36-M40 WeakPolarHBondContact O-CG 3.37Å; L36-M40 PolarHBondContact O-N 3.33Å; T37-M40 PolarHBondContact O-N 3.17Å; M40-Y43 WeakPolarHBondContact O-CB 3.35Å; M40-Y43 PolarHBondContact O-N 3.49Å; M40-I44 WeakPolarHBondContact O-CG1 3.27Å; M40-I44 PolarHBondContact O-N 2.93Å; M40-I44 VanDerWaalsContact O-N 3.09Å; M40-N74 HydrophobicContact CE-CB 3.68Å; M40-L77 HydrophobicContact CE-CD2 4.4Å; M40-M78 HydrophobicContact CB-SD 4.19Å; M40-M78 HydrophobicContact CE-CG 4.09Å; M40-M78 HydrophobicContact CE-SD 4.4Å; M40-M78 HydrophobicContact CG-CG 3.97Å; M40-M78 HydrophobicContact CG-SD 3.37Å; M40-M78 WeakPolarHBondContact CG-SD 3.49Å
41	L	95.6	Very high	93.2	Very high	88 Å²	88	73.1 Å²	73.1	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-47.3	178.8	-179.9	63.7	0	0	0	111.3	T37 L38 Y43 I44 L45	T37-L41 VanDerWaalsContact O-CB 3.32Å; T37-L41 WeakPolarHBondContact O-CB 3.46Å; T37-L41 PolarHBondContact O-N 3.32Å; L38-L41 PolarHBondContact O-N 3.29Å; L41-Y43 VanDerWaalsContact C-N 3.26Å; L41-Y43 PolarHBondContact O-N 2.99Å; L41-I44 PolarHBondContact O-N 3.45Å; L41-L45 HydrophobicContact CD1-CD1 4.19Å; L41-L45 HydrophobicContact CD1-CG 4.42Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 2.92Å
42	N	95.4	Very high	93.5	Very high	13 Å²	13	69 Å²	69	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-32.2	178.3	-78.1	-73.2	0	0	0	112	L38 S39 L45 E46 R47 E50 Y54	L38-N42 WeakPolarHBondContact O-CB 3.47Å; L38-N42 PolarHBondContact O-N 3.48Å; L38-N42 PolarHBondContact O-ND2 2.75Å; S39-N42 PolarHBondContact O-N 3.01Å; N42-L45 CarbonylContact O-C 3.57Å; N42-L45 PolarHBondContact O-N 2.75Å; N42-E46 PolarHBondContact O-N 3.13Å; N42-R47 HydrophobicContact CB-CB 4.06Å; N42-R47 WeakPolarHBondContact O-CA 3.49Å; N42-R47 WeakPolarHBondContact O-CB 3.46Å; N42-R47 PolarHBondContact O-N 2.82Å; N42-R47 WeakPolarHBondContact OD1-CD 3.47Å; N42-E50 HydrophobicContact CB-CB 4.07Å; N42-Y54 WeakPolarHBondContact ND2-CD2 3.11Å; N42-Y54 VanDerWaalsContact ND2-CE2 3.33Å; N42-Y54 WeakPolarHBondContact ND2-CE2 3.28Å
43	Y	94.3	Very high	93.8	Very high	68 Å²	68	73.2 Å²	73.2	27%	0.267	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-47.7	171.9	-179.2	-98.9	0	0	0	112.3	M1 S39 M40 L41 L45 E46 S51 M78 A81 L82	M1-Y43 WeakPolarHBondContact CE-OH 3.36Å; S39-Y43 WeakPolarHBondContact O-CB 3.47Å; S39-Y43 PolarHBondContact O-N 3.01Å; M40-Y43 WeakPolarHBondContact O-CB 3.35Å; M40-Y43 PolarHBondContact O-N 3.49Å; L41-Y43 VanDerWaalsContact C-N 3.26Å; L41-Y43 PolarHBondContact O-N 2.99Å; Y43-L45 VanDerWaalsContact C-N 3.26Å; Y43-L45 PolarHBondContact O-N 2.91Å; Y43-E46 PolarHBondContact O-N 3.15Å; Y43-E46 VanDerWaalsContact O-N 3.07Å; Y43-S51 WeakPolarHBondContact CB-OG 3.49Å; Y43-M78 HydrophobicContact CD2-CE 4.49Å; Y43-M78 HydrophobicContact CG-CE 4.18Å; Y43-A81 HydrophobicContact CD2-CB 4.39Å; Y43-A81 HydrophobicContact CE1-CB 4.09Å; Y43-A81 HydrophobicContact CE2-CB 3.89Å; Y43-A81 VanDerWaalsContact CE2-O 3.26Å; Y43-A81 WeakPolarHBondContact CE2-O 3.33Å; Y43-A81 PolarHBondContact OH-O 2.72Å; Y43-L82 HydrophobicContact CD2-CD2 3.7Å; Y43-L82 HydrophobicContact CD2-CG 4.2Å; Y43-L82 HydrophobicContact CE2-CD2 4.19Å
44	I	94.3	Very high	94.2	Very high	120 Å²	120	73.1 Å²	73.1	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-35	178.1	-67.8	167.6	0	0	0	111.3	M40 L41 E46	M40-I44 WeakPolarHBondContact O-CG1 3.27Å; M40-I44 PolarHBondContact O-N 2.93Å; M40-I44 VanDerWaalsContact O-N 3.09Å; L41-I44 PolarHBondContact O-N 3.45Å; I44-E46 PolarHBondContact O-N 3.31Å
45	L	94.8	Very high	94.4	Very high	87 Å²	87	68.2 Å²	68.2	46%	0.455	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	9	176.9	-64.1	175.6	0	0	0	113.7	L41 N42 Y43 R47	L41-L45 HydrophobicContact CD1-CD1 4.19Å; L41-L45 HydrophobicContact CD1-CG 4.42Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 2.92Å; N42-L45 CarbonylContact O-C 3.57Å; N42-L45 PolarHBondContact O-N 2.75Å; Y43-L45 VanDerWaalsContact C-N 3.26Å; Y43-L45 PolarHBondContact O-N 2.91Å; L45-R47 HydrophobicContact CB-CG 4.29Å; L45-R47 PolarHBondContact O-N 3.4Å; L45-R47 VanDerWaalsContact O-N 3.12Å
46	E	93	Very high	94.4	Very high	180 Å²	180	69.7 Å²	69.7	84%	0.841	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	19.1	-178.9	-55.1	-175.2	168.6	0	0	114.5	N42 Y43 I44 K48	N42-E46 PolarHBondContact O-N 3.13Å; Y43-E46 PolarHBondContact O-N 3.15Å; Y43-E46 VanDerWaalsContact O-N 3.07Å; I44-E46 PolarHBondContact O-N 3.31Å; E46-K48 PolarHBondContact O-N 3.02Å; E46-K48 VanDerWaalsContact O-N 3.16Å
47	R	93.4	Very high	94.5	Very high	135 Å²	135	72.1 Å²	72.1	51%	0.509	34%	0.341	S	S	.	.			trans	-88.4	72.7	175.9	-67.2	-178.8	-170.9	178.6	-0.1	110.4	N42 L45 Q49 E50 S51	N42-R47 HydrophobicContact CB-CB 4.06Å; N42-R47 WeakPolarHBondContact O-CA 3.49Å; N42-R47 WeakPolarHBondContact O-CB 3.46Å; N42-R47 PolarHBondContact O-N 2.82Å; N42-R47 WeakPolarHBondContact OD1-CD 3.47Å; L45-R47 HydrophobicContact CB-CG 4.29Å; L45-R47 PolarHBondContact O-N 3.4Å; L45-R47 VanDerWaalsContact O-N 3.12Å; R47-Q49 PolarHBondContact O-N 3.4Å; R47-E50 HydrophobicContact CB-CB 4.32Å; R47-E50 WeakPolarHBondContact CB-OE2 3.47Å; R47-E50 PolarHBondContact O-N 3.37Å; R47-S51 WeakPolarHBondContact O-CB 3.36Å; R47-S51 PolarHBondContact O-N 2.54Å
48	K	91.8	Very high	94.5	Very high	128 Å²	128	68.5 Å²	68.5	56%	0.557	32%	0.319	S	S	*	.	H	α-helix	trans	-60.1	-41.9	-169.9	-171.3	176.3	-179.4	178.2	0	113.1	E46 S51 I52 L82	E46-K48 PolarHBondContact O-N 3.02Å; E46-K48 VanDerWaalsContact O-N 3.16Å; K48-S51 WeakPolarHBondContact O-CB 3.41Å; K48-S51 PolarHBondContact O-N 3.07Å; K48-I52 HydrophobicContact CG-CD1 4Å; K48-I52 WeakPolarHBondContact O-CG1 2.95Å; K48-I52 PolarHBondContact O-N 2.63Å; K48-L82 HydrophobicContact CG-CD2 4.04Å
49	Q	93.9	Very high	94.4	Very high	135 Å²	135	69 Å²	69	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-65.9	-44.8	-176.1	-173.6	62.7	22.2	0	0	111.5	R47 S51 I52 Q53	R47-Q49 PolarHBondContact O-N 3.4Å; Q49-S51 VanDerWaalsContact C-N 3.34Å; Q49-I52 PolarHBondContact O-N 3.17Å; Q49-Q53 WeakPolarHBondContact O-CB 3.49Å; Q49-Q53 PolarHBondContact O-N 2.9Å
50	E	94.9	Very high	94.3	Very high	86 Å²	86	72.4 Å²	72.4	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-66.5	-38.9	176.9	-62.4	89.8	151	0	0	111	N42 R47 I52 Q53 Y54	N42-E50 HydrophobicContact CB-CB 4.07Å; R47-E50 HydrophobicContact CB-CB 4.32Å; R47-E50 WeakPolarHBondContact CB-OE2 3.47Å; R47-E50 PolarHBondContact O-N 3.37Å; E50-I52 PolarHBondContact O-N 3.46Å; E50-Q53 PolarHBondContact O-N 3.05Å; E50-Y54 HydrophobicContact CB-CE2 4.45Å; E50-Y54 WeakPolarHBondContact O-CD2 3.45Å; E50-Y54 PolarHBondContact O-N 2.78Å
51	S	95	Very high	94.1	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-44.5	175.2	-174.8	0	0	0	0	112.3	S39 Y43 R47 K48 Q49 L55 M78	S39-S51 WeakPolarHBondContact CB-O 3.49Å; S39-S51 WeakPolarHBondContact O-CB 3.36Å; S39-S51 PolarHBondContact O-OG 2.94Å; S39-S51 PolarHBondContact OG-O 3.02Å; Y43-S51 WeakPolarHBondContact CB-OG 3.49Å; R47-S51 WeakPolarHBondContact O-CB 3.36Å; R47-S51 PolarHBondContact O-N 2.54Å; K48-S51 WeakPolarHBondContact O-CB 3.41Å; K48-S51 PolarHBondContact O-N 3.07Å; Q49-S51 VanDerWaalsContact C-N 3.34Å; S51-L55 WeakPolarHBondContact O-CB 3.1Å; S51-L55 PolarHBondContact O-N 3.43Å; S51-M78 WeakPolarHBondContact OG-CE 3.34Å
52	I	95.1	Very high	93.8	Very high	31 Å²	31	68.1 Å²	68.1	16%	0.159	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-47.5	175.1	-68.8	165.3	0	0	0	110.4	K48 Q49 E50 Y54 L55 I56 L82 E84	K48-I52 HydrophobicContact CG-CD1 4Å; K48-I52 WeakPolarHBondContact O-CG1 2.95Å; K48-I52 PolarHBondContact O-N 2.63Å; Q49-I52 PolarHBondContact O-N 3.17Å; E50-I52 PolarHBondContact O-N 3.46Å; I52-Y54 VanDerWaalsContact C-N 3.34Å; I52-Y54 PolarHBondContact O-N 3.12Å; I52-L55 WeakPolarHBondContact O-CB 3.32Å; I52-L55 PolarHBondContact O-N 3.47Å; I52-I56 HydrophobicContact CG2-CD1 3.86Å; I52-I56 HydrophobicContact CG2-CG1 4.42Å; I52-I56 WeakPolarHBondContact O-CG1 3.29Å; I52-I56 PolarHBondContact O-N 2.89Å; I52-L82 HydrophobicContact CG1-CD1 3.93Å; I52-L82 HydrophobicContact CG1-CD2 4.12Å; I52-L82 HydrophobicContact CG1-CG 4.48Å; I52-E84 WeakPolarHBondContact CG2-OE1 3.06Å
53	Q	96.1	Very high	93.4	Very high	87 Å²	87	74.6 Å²	74.6	41%	0.407	35%	0.352	S	S	.	.	H	α-helix	trans	-55.6	-49.1	179.9	-178.6	60.2	33.5	0	0	111.5	Q49 E50 L55 I56 E57	Q49-Q53 WeakPolarHBondContact O-CB 3.49Å; Q49-Q53 PolarHBondContact O-N 2.9Å; E50-Q53 PolarHBondContact O-N 3.05Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-L55 PolarHBondContact O-N 3.28Å; Q53-I56 PolarHBondContact O-N 3.44Å; Q53-E57 PolarHBondContact NE2-OE1 2.94Å; Q53-E57 WeakPolarHBondContact O-CG 3.33Å; Q53-E57 PolarHBondContact O-N 3.4Å
54	Y	96.4	Very high	92.9	Very high	70 Å²	70	79.5 Å²	79.5	28%	0.275	38%	0.375	S	S	.	.	H	α-helix	trans	-69.4	-28.8	177.7	-71.2	-56.1	0	0	0	113.4	Y35 L38 N42 E50 I52 A58	Y35-Y54 AromaticContact CD1-CD1 3.99Å; Y35-Y54 HydrophobicContact CD1-CD1 3.99Å; L38-Y54 HydrophobicContact CB-CD1 4Å; L38-Y54 HydrophobicContact CB-CD2 3.75Å; L38-Y54 HydrophobicContact CB-CE1 4.31Å; L38-Y54 HydrophobicContact CB-CE2 4.07Å; L38-Y54 HydrophobicContact CB-CG 3.71Å; L38-Y54 HydrophobicContact CD1-CD1 4Å; L38-Y54 HydrophobicContact CD1-CE1 3.72Å; N42-Y54 WeakPolarHBondContact ND2-CD2 3.11Å; N42-Y54 VanDerWaalsContact ND2-CE2 3.33Å; N42-Y54 WeakPolarHBondContact ND2-CE2 3.28Å; E50-Y54 HydrophobicContact CB-CE2 4.45Å; E50-Y54 WeakPolarHBondContact O-CD2 3.45Å; E50-Y54 PolarHBondContact O-N 2.78Å; I52-Y54 VanDerWaalsContact C-N 3.34Å; I52-Y54 PolarHBondContact O-N 3.12Å; Y54-A58 VanDerWaalsContact O-CB 3.32Å; Y54-A58 WeakPolarHBondContact O-CB 3.44Å; Y54-A58 PolarHBondContact O-N 2.94Å
55	L	95.3	Very high	92.3	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-42.4	172.7	-178.7	59.2	0	0	0	111.1	L36 S51 I52 Q53 A58 K59 I75 M78 E79 L82	L36-L55 HydrophobicContact CD2-CD1 4.28Å; S51-L55 WeakPolarHBondContact O-CB 3.1Å; S51-L55 PolarHBondContact O-N 3.43Å; I52-L55 WeakPolarHBondContact O-CB 3.32Å; I52-L55 PolarHBondContact O-N 3.47Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-L55 PolarHBondContact O-N 3.28Å; L55-A58 WeakPolarHBondContact O-CB 3.49Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-K59 HydrophobicContact CD1-CD 4.46Å; L55-K59 HydrophobicContact CD1-CG 4.46Å; L55-K59 HydrophobicContact CG-CD 4.23Å; L55-K59 WeakPolarHBondContact O-CG 3.47Å; L55-K59 PolarHBondContact O-N 3.05Å; L55-I75 HydrophobicContact CD1-CG2 4.43Å; L55-M78 HydrophobicContact CD1-CB 3.71Å; L55-M78 HydrophobicContact CD1-CG 4.45Å; L55-M78 HydrophobicContact CD2-CB 4Å; L55-M78 HydrophobicContact CG-CB 4.44Å; L55-E79 HydrophobicContact CD2-CG 4.03Å; L55-L82 HydrophobicContact CB-CD1 4.49Å; L55-L82 HydrophobicContact CD2-CD1 3.8Å
56	I	95	Very high	91.5	Very high	79 Å²	79	76.7 Å²	76.7	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-47.6	175.9	-66.2	167.3	0	0	0	109.8	I52 Q53 A58 K59 V60	I52-I56 HydrophobicContact CG2-CD1 3.86Å; I52-I56 HydrophobicContact CG2-CG1 4.42Å; I52-I56 WeakPolarHBondContact O-CG1 3.29Å; I52-I56 PolarHBondContact O-N 2.89Å; Q53-I56 PolarHBondContact O-N 3.44Å; I56-A58 VanDerWaalsContact C-N 3.31Å; I56-A58 PolarHBondContact O-N 3.07Å; I56-K59 PolarHBondContact O-N 2.7Å; I56-K59 VanDerWaalsContact O-N 3.15Å; I56-V60 HydrophobicContact CG2-CG2 4.48Å; I56-V60 WeakPolarHBondContact O-CG2 3.44Å; I56-V60 PolarHBondContact O-N 2.82Å
57	E	94.1	Very high	90.8	Very high	54 Å²	54	76.6 Å²	76.6	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-39.3	177	-71.2	174.9	-157.9	0	0	112.4	Y35 Q53 A61	Y35-E57 HydrophobicContact CD1-CB 4.02Å; Y35-E57 WeakPolarHBondContact CD1-OE2 3.34Å; Y35-E57 HydrophobicContact CD2-CB 3.94Å; Y35-E57 HydrophobicContact CE1-CB 4.1Å; Y35-E57 WeakPolarHBondContact CE1-OE2 3.49Å; Y35-E57 HydrophobicContact CE2-CB 3.99Å; Y35-E57 HydrophobicContact CG-CB 3.95Å; Q53-E57 PolarHBondContact NE2-OE1 2.94Å; Q53-E57 WeakPolarHBondContact O-CG 3.33Å; Q53-E57 PolarHBondContact O-N 3.4Å; E57-A61 VanDerWaalsContact O-CB 3.29Å; E57-A61 WeakPolarHBondContact O-CB 3.41Å; E57-A61 PolarHBondContact O-N 3.3Å
58	A	93.1	Very high	90.3	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-42.7	173.7	0	0	0	0	0	112.3	L36 Y54 L55 I56 A61 A62	L36-A58 HydrophobicContact CD2-CB 3.86Å; L36-A58 HydrophobicContact CG-CB 3.81Å; Y54-A58 VanDerWaalsContact O-CB 3.32Å; Y54-A58 WeakPolarHBondContact O-CB 3.44Å; Y54-A58 PolarHBondContact O-N 2.94Å; L55-A58 WeakPolarHBondContact O-CB 3.49Å; L55-A58 PolarHBondContact O-N 2.92Å; I56-A58 VanDerWaalsContact C-N 3.31Å; I56-A58 PolarHBondContact O-N 3.07Å; A58-A61 PolarHBondContact O-N 2.9Å; A58-A62 WeakPolarHBondContact O-CB 3.29Å; A58-A62 PolarHBondContact O-N 2.92Å
59	K	92.8	Very high	90	Very high	55 Å²	55	70.2 Å²	70.2	24%	0.239	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-47.4	179	-73.8	173.4	66.1	161.6	0	111.4	L55 I56 A61 A62 E63 I75 E79	L55-K59 HydrophobicContact CD1-CD 4.46Å; L55-K59 HydrophobicContact CD1-CG 4.46Å; L55-K59 HydrophobicContact CG-CD 4.23Å; L55-K59 WeakPolarHBondContact O-CG 3.47Å; L55-K59 PolarHBondContact O-N 3.05Å; I56-K59 PolarHBondContact O-N 2.7Å; I56-K59 VanDerWaalsContact O-N 3.15Å; K59-A61 VanDerWaalsContact C-N 3.32Å; K59-A61 PolarHBondContact O-N 3.42Å; K59-A62 WeakPolarHBondContact O-CB 3.46Å; K59-A62 PolarHBondContact O-N 2.98Å; K59-A62 VanDerWaalsContact O-N 3.09Å; K59-E63 WeakPolarHBondContact O-CG 3.41Å; K59-E63 PolarHBondContact O-N 2.93Å; K59-E63 VanDerWaalsContact O-N 3.12Å; K59-I75 HydrophobicContact CD-CG2 4.15Å; K59-I75 HydrophobicContact CG-CD1 4.32Å; K59-I75 HydrophobicContact CG-CG1 4.5Å; K59-I75 HydrophobicContact CG-CG2 3.9Å; K59-E79 IonicContact NZ-OE1 2.67Å; K59-E79 PolarHBondContact NZ-OE1 3.49Å
60	V	92.5	Very high	89.6	Confident	73 Å²	73	67.5 Å²	67.5	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-58.2	-46.7	175.4	173.7	0	0	0	0	110.1	I56 A62 E63 F64	I56-V60 HydrophobicContact CG2-CG2 4.48Å; I56-V60 WeakPolarHBondContact O-CG2 3.44Å; I56-V60 PolarHBondContact O-N 2.82Å; V60-A62 VanDerWaalsContact C-N 3.31Å; V60-A62 PolarHBondContact O-N 2.9Å; V60-E63 PolarHBondContact O-N 3.03Å; V60-F64 HydrophobicContact CG1-CE2 4.1Å; V60-F64 WeakPolarHBondContact O-CD2 3.4Å; V60-F64 VanDerWaalsContact O-CE2 3.26Å; V60-F64 WeakPolarHBondContact O-CE2 3.38Å
61	A	89.3	Confident	89.2	Confident	11 Å²	11	63.5 Å²	63.5	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-33.6	177.4	0	0	0	0	0	112.5	V32 Y35 E57 A58 K59 E63 F64	V32-A61 VanDerWaalsContact CG2-C 3.49Å; V32-A61 HydrophobicContact CG2-CB 3.56Å; Y35-A61 HydrophobicContact CD2-CB 4.15Å; Y35-A61 HydrophobicContact CE2-CB 4.28Å; E57-A61 VanDerWaalsContact O-CB 3.29Å; E57-A61 WeakPolarHBondContact O-CB 3.41Å; E57-A61 PolarHBondContact O-N 3.3Å; A58-A61 PolarHBondContact O-N 2.9Å; K59-A61 VanDerWaalsContact C-N 3.32Å; K59-A61 PolarHBondContact O-N 3.42Å; A61-E63 VanDerWaalsContact C-N 3.29Å; A61-E63 PolarHBondContact O-N 3.5Å; A61-F64 PolarHBondContact O-N 2.95Å
62	A	89.2	Confident	88.9	Confident	19 Å²	19	66.6 Å²	66.6	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-26.7	179	0	0	0	0	0	113.1	V32 A58 K59 V60 F64 M65 I71 I75	V32-A62 HydrophobicContact CG1-CB 4.03Å; A58-A62 WeakPolarHBondContact O-CB 3.29Å; A58-A62 PolarHBondContact O-N 2.92Å; K59-A62 WeakPolarHBondContact O-CB 3.46Å; K59-A62 PolarHBondContact O-N 2.98Å; K59-A62 VanDerWaalsContact O-N 3.09Å; V60-A62 VanDerWaalsContact C-N 3.31Å; V60-A62 PolarHBondContact O-N 2.9Å; A62-F64 PolarHBondContact O-N 3.49Å; A62-M65 HydrophobicContact CB-CE 4.32Å; A62-M65 WeakPolarHBondContact O-CG 3.48Å; A62-M65 PolarHBondContact O-N 3.12Å; A62-I71 HydrophobicContact CB-CG2 4.27Å; A62-I75 HydrophobicContact CB-CD1 3.85Å
63	E	87.8	Confident	88.7	Confident	149 Å²	149	67.5 Å²	67.5	70%	0.696	35%	0.35	S	S	*	.	H	α-helix	trans	-65.3	-25.2	176.5	-72.1	171.3	-174.2	0	0	113	K59 V60 A61	K59-E63 WeakPolarHBondContact O-CG 3.41Å; K59-E63 PolarHBondContact O-N 2.93Å; K59-E63 VanDerWaalsContact O-N 3.12Å; V60-E63 PolarHBondContact O-N 3.03Å; A61-E63 VanDerWaalsContact C-N 3.29Å; A61-E63 PolarHBondContact O-N 3.5Å
64	F	84	Confident	88.4	Confident	171 Å²	171	63.6 Å²	63.6	75%	0.75	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.9	-178	-60.2	-78.7	0	0	0	114.1	V60 A61 A62	V60-F64 HydrophobicContact CG1-CE2 4.1Å; V60-F64 WeakPolarHBondContact O-CD2 3.4Å; V60-F64 VanDerWaalsContact O-CE2 3.26Å; V60-F64 WeakPolarHBondContact O-CE2 3.38Å; A61-F64 PolarHBondContact O-N 2.95Å; A62-F64 PolarHBondContact O-N 3.49Å
65	M	79.9	Confident	88.3	Confident	30 Å²	30	61.2 Å²	61.2	15%	0.148	32%	0.324	C	S	.	.	S	Bend	trans	-100	162.2	179.5	66.5	165.1	-147.1	0	0	112	D29 V32 A62 Q67 H68 I71	D29-M65 HydrophobicContact CB-CB 4.09Å; D29-M65 HydrophobicContact CB-SD 4.2Å; V32-M65 HydrophobicContact CB-SD 4.15Å; V32-M65 HydrophobicContact CG1-SD 4.2Å; V32-M65 HydrophobicContact CG2-CG 4.39Å; V32-M65 HydrophobicContact CG2-SD 3.81Å; A62-M65 HydrophobicContact CB-CE 4.32Å; A62-M65 WeakPolarHBondContact O-CG 3.48Å; A62-M65 PolarHBondContact O-N 3.12Å; M65-Q67 PolarHBondContact O-N 3.03Å; M65-H68 HydrophobicContact CE-CB 3.96Å; M65-I71 HydrophobicContact CE-CB 3.63Å; M65-I71 HydrophobicContact CE-CG1 3.83Å; M65-I71 HydrophobicContact CE-CG2 3.46Å; M65-I71 VanDerWaalsContact CE-CG2 3.46Å; M65-I71 HydrophobicContact SD-CG1 4.32Å; M65-I71 HydrophobicContact SD-CG2 4.33Å
66	V	78.7	Confident	88.1	Confident	118 Å²	118	64.7 Å²	64.7	72%	0.715	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-60.2	132	166	179.9	0	0	0	0	108.7	H68	V66-H68 PolarHBondContact O-N 2.89Å; V66-H68 VanDerWaalsContact O-N 3.12Å
67	Q	78.8	Confident	88	Confident	177 Å²	177	63.9 Å²	63.9	83%	0.827	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-54.3	121.6	180	-71.6	-173	1.4	0	0	110.7	M65	M65-Q67 PolarHBondContact O-N 3.03Å
68	H	82.8	Confident	87.9	Confident	28 Å²	28	61.5 Å²	61.5	13%	0.13	33%	0.328	C	S	.	.			trans	-118.6	119.9	179.8	-172.1	-76.7	0	0	0	109.6	A26 P28 M65 V66 K70 I71 T72	A26-H68 PolarHBondContact O-CD2 3.36Å; A26-H68 PolarHBondContact O-NE2 3.43Å; P28-H68 HydrophobicContact CB-CB 4.36Å; M65-H68 HydrophobicContact CE-CB 3.96Å; V66-H68 PolarHBondContact O-N 2.89Å; V66-H68 VanDerWaalsContact O-N 3.12Å; H68-K70 VanDerWaalsContact C-N 3.26Å; H68-K70 PolarHBondContact ND1-N 3.4Å; H68-K70 PolarHBondContact O-N 3.43Å; H68-K70 VanDerWaalsContact O-N 3.12Å; H68-I71 HydrophobicContact CB-CB 4.3Å; H68-I71 HydrophobicContact CB-CG1 3.98Å; H68-I71 WeakPolarHBondContact O-CB 3.48Å; H68-I71 PolarHBondContact O-N 2.97Å; H68-T72 PolarHBondContact O-N 3.34Å; H68-T72 VanDerWaalsContact O-N 3.17Å; H68-T72 PolarHBondContact O-OG1 3.11Å
69	P	85.1	Confident	87.9	Confident	101 Å²	101	63.5 Å²	63.5	66%	0.656	34%	0.337	S	S	*	.	H	α-helix	trans	-58.2	-36	-170	21.2	-32.8	0	0	0	113.1	I71 T72 A73	P69-I71 PolarHBondContact O-N 3.29Å; P69-T72 PolarHBondContact O-N 3.17Å; P69-A73 WeakPolarHBondContact O-CB 3.47Å; P69-A73 PolarHBondContact O-N 3.42Å
70	K	84.9	Confident	87.9	Confident	78 Å²	78	70.9 Å²	70.9	34%	0.339	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-34.8	176.3	-55.5	-172.7	-168.8	-172.6	0	113	E15 H68 N74	E15-K70 WeakPolarHBondContact OE2-CE 3.43Å; E15-K70 IonicContact OE2-NZ 2.63Å; E15-K70 PolarHBondContact OE2-NZ 3.5Å; H68-K70 VanDerWaalsContact C-N 3.26Å; H68-K70 PolarHBondContact ND1-N 3.4Å; H68-K70 PolarHBondContact O-N 3.43Å; H68-K70 VanDerWaalsContact O-N 3.12Å; K70-N74 WeakPolarHBondContact O-CB 3.25Å; K70-N74 PolarHBondContact O-N 2.96Å; K70-N74 PolarHBondContact O-ND2 3.35Å; K70-N74 PolarHBondContact O-OD1 3.4Å; K70-N74 VanDerWaalsContact O-OD1 3.12Å
71	I	88	Confident	87.8	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-70.5	-45.1	179.1	-64.9	-62.9	0	0	0	109.5	P28 V32 Q33 L36 A62 M65 H68 P69 A73 N74 I75	P28-I71 HydrophobicContact CB-CD1 3.6Å; P28-I71 HydrophobicContact CB-CG1 3.47Å; P28-I71 VanDerWaalsContact CB-CG1 3.47Å; P28-I71 HydrophobicContact CG-CD1 4.12Å; P28-I71 HydrophobicContact CG-CG1 4.15Å; V32-I71 HydrophobicContact CG1-CD1 4.14Å; V32-I71 HydrophobicContact CG1-CG1 4.5Å; V32-I71 HydrophobicContact CG1-CG2 3.57Å; Q33-I71 HydrophobicContact CG-CD1 4.15Å; L36-I71 HydrophobicContact CD1-CB 4.49Å; L36-I71 HydrophobicContact CD1-CD1 3.71Å; L36-I71 HydrophobicContact CD1-CG2 3.93Å; A62-I71 HydrophobicContact CB-CG2 4.27Å; M65-I71 HydrophobicContact CE-CB 3.63Å; M65-I71 HydrophobicContact CE-CG1 3.83Å; M65-I71 HydrophobicContact CE-CG2 3.46Å; M65-I71 VanDerWaalsContact CE-CG2 3.46Å; M65-I71 HydrophobicContact SD-CG1 4.32Å; M65-I71 HydrophobicContact SD-CG2 4.33Å; H68-I71 HydrophobicContact CB-CB 4.3Å; H68-I71 HydrophobicContact CB-CG1 3.98Å; H68-I71 WeakPolarHBondContact O-CB 3.48Å; H68-I71 PolarHBondContact O-N 2.97Å; P69-I71 PolarHBondContact O-N 3.29Å; I71-A73 VanDerWaalsContact C-N 3.32Å; I71-A73 PolarHBondContact O-N 3.09Å; I71-N74 WeakPolarHBondContact O-CB 3.42Å; I71-N74 PolarHBondContact O-N 3.32Å; I71-N74 VanDerWaalsContact O-N 3.11Å; I71-I75 HydrophobicContact CG2-CD1 3.88Å; I71-I75 HydrophobicContact CG2-CG1 4.43Å; I71-I75 WeakPolarHBondContact O-CG1 3.49Å; I71-I75 PolarHBondContact O-N 2.94Å
72	T	88.8	Confident	87.9	Confident	64 Å²	64	68.5 Å²	68.5	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-58.1	-44.8	174.8	-49.3	0	0	0	0	111.6	H68 P69 N74 I75 N76	H68-T72 PolarHBondContact O-N 3.34Å; H68-T72 VanDerWaalsContact O-N 3.17Å; H68-T72 PolarHBondContact O-OG1 3.11Å; P69-T72 PolarHBondContact O-N 3.17Å; T72-N74 VanDerWaalsContact C-N 3.31Å; T72-N74 PolarHBondContact O-N 3.41Å; T72-I75 PolarHBondContact O-N 3.12Å; T72-N76 WeakPolarHBondContact O-CB 3.46Å; T72-N76 VanDerWaalsContact O-CG 3.25Å; T72-N76 PolarHBondContact O-N 3.15Å; T72-N76 PolarHBondContact O-ND2 3.04Å
73	A	89.8	Confident	87.7	Confident	51 Å²	51	70.4 Å²	70.4	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-39.4	175.8	0	0	0	0	0	112.5	P69 I71 L77	P69-A73 WeakPolarHBondContact O-CB 3.47Å; P69-A73 PolarHBondContact O-N 3.42Å; I71-A73 VanDerWaalsContact C-N 3.32Å; I71-A73 PolarHBondContact O-N 3.09Å; A73-L77 WeakPolarHBondContact O-CB 3.45Å; A73-L77 PolarHBondContact O-N 2.82Å
74	N	91.1	Very high	86.5	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.027	35%	0.352	C	S	.	.	H	α-helix	trans	-70.7	-40.5	179.5	-69.6	-2.3	0	0	0	112.9	Y8 L36 M40 K70 I71 T72 L77 M78	Y8-N74 WeakPolarHBondContact CE2-OD1 3.39Å; Y8-N74 VanDerWaalsContact CZ-OD1 3.3Å; Y8-N74 PolarHBondContact OH-ND2 3.44Å; Y8-N74 PolarHBondContact OH-OD1 3.2Å; L36-N74 HydrophobicContact CD1-CB 3.76Å; L36-N74 HydrophobicContact CD2-CB 4.33Å; M40-N74 HydrophobicContact CE-CB 3.68Å; K70-N74 WeakPolarHBondContact O-CB 3.25Å; K70-N74 PolarHBondContact O-N 2.96Å; K70-N74 PolarHBondContact O-ND2 3.35Å; K70-N74 PolarHBondContact O-OD1 3.4Å; K70-N74 VanDerWaalsContact O-OD1 3.12Å; I71-N74 WeakPolarHBondContact O-CB 3.42Å; I71-N74 PolarHBondContact O-N 3.32Å; I71-N74 VanDerWaalsContact O-N 3.11Å; T72-N74 VanDerWaalsContact C-N 3.31Å; T72-N74 PolarHBondContact O-N 3.41Å; N74-L77 PolarHBondContact O-N 3.42Å; N74-M78 WeakPolarHBondContact O-CG 3.42Å; N74-M78 PolarHBondContact O-N 3.2Å
75	I	92.5	Very high	84.9	Confident	20 Å²	20	67.7 Å²	67.7	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-51	173.6	-69.3	169.1	0	0	0	109.2	L36 L55 K59 A62 I71 T72 L77 M78 E79	L36-I75 HydrophobicContact CD1-CG1 4.4Å; L36-I75 HydrophobicContact CD2-CG1 3.84Å; L55-I75 HydrophobicContact CD1-CG2 4.43Å; K59-I75 HydrophobicContact CD-CG2 4.15Å; K59-I75 HydrophobicContact CG-CD1 4.32Å; K59-I75 HydrophobicContact CG-CG1 4.5Å; K59-I75 HydrophobicContact CG-CG2 3.9Å; A62-I75 HydrophobicContact CB-CD1 3.85Å; I71-I75 HydrophobicContact CG2-CD1 3.88Å; I71-I75 HydrophobicContact CG2-CG1 4.43Å; I71-I75 WeakPolarHBondContact O-CG1 3.49Å; I71-I75 PolarHBondContact O-N 2.94Å; T72-I75 PolarHBondContact O-N 3.12Å; I75-L77 VanDerWaalsContact C-N 3.28Å; I75-L77 PolarHBondContact O-N 3.03Å; I75-M78 PolarHBondContact O-N 3.38Å; I75-M78 VanDerWaalsContact O-N 3.07Å; I75-E79 HydrophobicContact CG2-CG 4.34Å; I75-E79 WeakPolarHBondContact O-CG 3.47Å; I75-E79 PolarHBondContact O-N 3.38Å
76	N	92.2	Very high	83.2	Confident	72 Å²	72	78.7 Å²	78.7	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-36.9	178.7	-70.6	-21	0	0	0	112.7	T72 R80	T72-N76 WeakPolarHBondContact O-CB 3.46Å; T72-N76 VanDerWaalsContact O-CG 3.25Å; T72-N76 PolarHBondContact O-N 3.15Å; T72-N76 PolarHBondContact O-ND2 3.04Å; N76-R80 WeakPolarHBondContact O-CB 3.19Å; N76-R80 VanDerWaalsContact O-CG 3.25Å; N76-R80 WeakPolarHBondContact O-CG 3.43Å; N76-R80 PolarHBondContact O-N 2.75Å; N76-R80 VanDerWaalsContact O-N 3.17Å
77	L	92.3	Very high	83.4	Confident	62 Å²	62	76.7 Å²	76.7	33%	0.325	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-45.9	175.1	179.2	66.4	0	0	0	110.8	Y8 M40 A73 N74 I75 R80 A81	Y8-L77 HydrophobicContact CD1-CD2 4.34Å; Y8-L77 HydrophobicContact CD2-CD2 4.27Å; Y8-L77 HydrophobicContact CE1-CD2 4.37Å; Y8-L77 HydrophobicContact CE2-CD2 4.3Å; Y8-L77 HydrophobicContact CG-CD2 4.29Å; M40-L77 HydrophobicContact CE-CD2 4.4Å; A73-L77 WeakPolarHBondContact O-CB 3.45Å; A73-L77 PolarHBondContact O-N 2.82Å; N74-L77 PolarHBondContact O-N 3.42Å; I75-L77 VanDerWaalsContact C-N 3.28Å; I75-L77 PolarHBondContact O-N 3.03Å; L77-R80 PolarHBondContact O-N 2.67Å; L77-A81 WeakPolarHBondContact O-CB 3.21Å; L77-A81 PolarHBondContact O-N 3.18Å
78	M	93.2	Very high	83.7	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-67.8	-42.1	-179.7	-75.4	-50.2	-59.2	0	0	112.8	S39 M40 Y43 S51 L55 N74 I75 R80 A81 L82	S39-M78 WeakPolarHBondContact OG-CE 3.49Å; M40-M78 HydrophobicContact CB-SD 4.19Å; M40-M78 HydrophobicContact CE-CG 4.09Å; M40-M78 HydrophobicContact CE-SD 4.4Å; M40-M78 HydrophobicContact CG-CG 3.97Å; M40-M78 HydrophobicContact CG-SD 3.37Å; M40-M78 WeakPolarHBondContact CG-SD 3.49Å; Y43-M78 HydrophobicContact CD2-CE 4.49Å; Y43-M78 HydrophobicContact CG-CE 4.18Å; S51-M78 WeakPolarHBondContact OG-CE 3.34Å; L55-M78 HydrophobicContact CD1-CB 3.71Å; L55-M78 HydrophobicContact CD1-CG 4.45Å; L55-M78 HydrophobicContact CD2-CB 4Å; L55-M78 HydrophobicContact CG-CB 4.44Å; N74-M78 WeakPolarHBondContact O-CG 3.42Å; N74-M78 PolarHBondContact O-N 3.2Å; I75-M78 PolarHBondContact O-N 3.38Å; I75-M78 VanDerWaalsContact O-N 3.07Å; M78-R80 VanDerWaalsContact C-N 3.31Å; M78-R80 PolarHBondContact O-N 3.29Å; M78-A81 PolarHBondContact O-N 3.12Å; M78-A81 VanDerWaalsContact O-N 3.13Å; M78-L82 HydrophobicContact CE-CD1 4.05Å; M78-L82 HydrophobicContact CE-CG 4.29Å; M78-L82 WeakPolarHBondContact O-CB 3.26Å; M78-L82 PolarHBondContact O-N 3.44Å
79	E	93.4	Very high	83.7	Confident	42 Å²	42	73.8 Å²	73.8	20%	0.196	38%	0.379	C	S	.	.	H	α-helix	trans	-57.4	-45.3	174.5	-72.4	178.9	156.1	0	0	111.2	L55 K59 I75 A81 G83 E84	L55-E79 HydrophobicContact CD2-CG 4.03Å; K59-E79 IonicContact NZ-OE1 2.67Å; K59-E79 PolarHBondContact NZ-OE1 3.49Å; I75-E79 HydrophobicContact CG2-CG 4.34Å; I75-E79 WeakPolarHBondContact O-CG 3.47Å; I75-E79 PolarHBondContact O-N 3.38Å; E79-A81 PolarHBondContact O-N 3.17Å; E79-G83 PolarHBondContact O-N 3.36Å; E79-G83 VanDerWaalsContact O-N 3.15Å; E79-E84 PolarHBondContact O-N 3.3Å
80	R	92.3	Very high	83.6	Confident	209 Å²	209	72.2 Å²	72.2	79%	0.789	36%	0.363	S	S	*	.	H	α-helix	trans	-64	-40.1	174.9	-71.8	174.3	-176.9	-174.6	1.8	112.7	N76 L77 M78	N76-R80 WeakPolarHBondContact O-CB 3.19Å; N76-R80 VanDerWaalsContact O-CG 3.25Å; N76-R80 WeakPolarHBondContact O-CG 3.43Å; N76-R80 PolarHBondContact O-N 2.75Å; N76-R80 VanDerWaalsContact O-N 3.17Å; L77-R80 PolarHBondContact O-N 2.67Å; M78-R80 VanDerWaalsContact C-N 3.31Å; M78-R80 PolarHBondContact O-N 3.29Å
81	A	90.6	Very high	83.6	Confident	22 Å²	22	71.9 Å²	71.9	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-68.5	-38	-178.4	0	0	0	0	0	112.4	M1 Y43 L77 M78 E79 G83	M1-A81 HydrophobicContact CE-CB 4.42Å; Y43-A81 HydrophobicContact CD2-CB 4.39Å; Y43-A81 HydrophobicContact CE1-CB 4.09Å; Y43-A81 HydrophobicContact CE2-CB 3.89Å; Y43-A81 VanDerWaalsContact CE2-O 3.26Å; Y43-A81 WeakPolarHBondContact CE2-O 3.33Å; Y43-A81 PolarHBondContact OH-O 2.72Å; L77-A81 WeakPolarHBondContact O-CB 3.21Å; L77-A81 PolarHBondContact O-N 3.18Å; M78-A81 PolarHBondContact O-N 3.12Å; M78-A81 VanDerWaalsContact O-N 3.13Å; E79-A81 PolarHBondContact O-N 3.17Å; A81-G83 VanDerWaalsContact C-N 3.34Å
82	L	90.8	Very high	83.3	Confident	12 Å²	12	76.5 Å²	76.5	6%	0.063	39%	0.388	C	S	.	.	H	α-helix	trans	-83.5	-10.3	-179.9	-72	167.7	0	0	0	113.7	Y43 K48 I52 L55 M78 E84	Y43-L82 HydrophobicContact CD2-CD2 3.7Å; Y43-L82 HydrophobicContact CD2-CG 4.2Å; Y43-L82 HydrophobicContact CE2-CD2 4.19Å; K48-L82 HydrophobicContact CG-CD2 4.04Å; I52-L82 HydrophobicContact CG1-CD1 3.93Å; I52-L82 HydrophobicContact CG1-CD2 4.12Å; I52-L82 HydrophobicContact CG1-CG 4.48Å; L55-L82 HydrophobicContact CB-CD1 4.49Å; L55-L82 HydrophobicContact CD2-CD1 3.8Å; M78-L82 HydrophobicContact CE-CD1 4.05Å; M78-L82 HydrophobicContact CE-CG 4.29Å; M78-L82 WeakPolarHBondContact O-CB 3.26Å; M78-L82 PolarHBondContact O-N 3.44Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 HydrophobicContact CB-CG 4.39Å
83	G	84.1	Confident	82.9	Confident	59 Å²	59	77.4 Å²	77.4	61%	0.608	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	17.6	-175.9	0	0	0	0	0	113	E79 A81 K85	E79-G83 PolarHBondContact O-N 3.36Å; E79-G83 VanDerWaalsContact O-N 3.15Å; A81-G83 VanDerWaalsContact C-N 3.34Å; G83-K85 PolarHBondContact O-N 3.39Å
84	E	62.9	Low	82.3	Confident	63 Å²	63	79.4 Å²	79.4	29%	0.294	39%	0.385	S	S	.	.			trans	-76	76.9	170.1	-67.9	-166.2	173.3	0	0	108.8	I52 E79 L82 K86	I52-E84 WeakPolarHBondContact CG2-OE1 3.06Å; E79-E84 PolarHBondContact O-N 3.3Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 HydrophobicContact CB-CG 4.39Å; E84-K86 PolarHBondContact O-N 3.12Å
85	K	50	Low	81.6	Confident	201 Å²	201	85.6 Å²	85.6	87%	0.874	41%	0.414	S	S	*	.			trans	-79.4	102.8	154.8	-76.2	-175	176.7	-178.7	0	106.8	G83	G83-K85 PolarHBondContact O-N 3.39Å
86	K	45	Very low	80.6	Confident	260 Å²	260	91.5 Å²	91.5	100%	1.13	44%	0.443	S	S	*	.			trans	-77.8	0	149.3	-82	-169.3	177.6	-175.6	0	108.8	E84	E84-K86 PolarHBondContact O-N 3.12Å

Retrieved 86 of 86 residues in 50.4 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).