A0A077ZEI2_TRITR Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession A0A077ZEI2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 96 aa.

						>A0A077ZEI2_TRITR|A0A077ZEI2
MAKATEYWTKLLNHPAGPKTIFFWAPAFKWALVLAGLADSARPPERLSVSQSSALAVTGLVWSRYSLVIVPKNWSLFGVNLLVGTIGIVQLLRIAK
					

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	66.7	Low	86.8	Confident	211 Å²	211	115.2 Å²	115.2	100%	1.039	58%	0.581	S	S	*	*				0	-49.8	0	-75.1	-166.3	-103.3	0	0	113.1	K3 A4 T5	M1-K3 PolarHBondContact O-N 3.16Å; M1-A4 WeakPolarHBondContact O-CB 3.44Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-T5 PolarHBondContact O-N 3.19Å; M1-T5 PolarHBondContact O-OG1 3.48Å
2	A	83.3	Confident	87.1	Confident	85 Å²	85	111.5 Å²	111.5	70%	0.702	56%	0.563	S	S	*	*	H	α-helix	trans	-50.7	-46.6	-178	0	0	0	0	0	115.3	A4 T5 E6	A2-A4 VanDerWaalsContact C-N 3.33Å; A2-A4 PolarHBondContact O-N 3.43Å; A2-T5 PolarHBondContact O-N 2.88Å; A2-E6 PolarHBondContact O-N 3.27Å
3	K	84.2	Confident	87.6	Confident	176 Å²	176	110.5 Å²	110.5	77%	0.765	56%	0.561	S	S	*	*	H	α-helix	trans	-64.3	-33.9	179.4	-167.7	176.7	-177.8	179	0	113.7	M1 Y7	M1-K3 PolarHBondContact O-N 3.16Å; K3-Y7 PolarHBondContact O-N 2.99Å
4	A	86.2	Confident	87.8	Confident	53 Å²	53	109.9 Å²	109.9	44%	0.438	55%	0.554	S	S	.	*	H	α-helix	trans	-68.5	-46.5	176.6	0	0	0	0	0	110.1	M1 A2 E6 Y7 W8	M1-A4 WeakPolarHBondContact O-CB 3.44Å; M1-A4 PolarHBondContact O-N 3.42Å; A2-A4 VanDerWaalsContact C-N 3.33Å; A2-A4 PolarHBondContact O-N 3.43Å; A4-E6 VanDerWaalsContact C-N 3.32Å; A4-E6 PolarHBondContact O-N 2.97Å; A4-Y7 PolarHBondContact O-N 2.98Å; A4-W8 PolarHBondContact O-N 3.36Å
5	T	88.5	Confident	87.8	Confident	87 Å²	87	107.9 Å²	107.9	53%	0.534	55%	0.552	S	S	.	*	H	α-helix	trans	-57.9	-45.4	174.5	-48.6	0	0	0	0	111.1	M1 A2 Y7 W8 T9	M1-T5 PolarHBondContact O-N 3.19Å; M1-T5 PolarHBondContact O-OG1 3.48Å; A2-T5 PolarHBondContact O-N 2.88Å; T5-Y7 PolarHBondContact O-N 2.94Å; T5-W8 PolarHBondContact O-N 3.32Å; T5-T9 PolarHBondContact O-N 3.01Å; T5-T9 PolarHBondContact O-OG1 3.47Å
6	E	90.1	Very high	87.9	Confident	96 Å²	96	102.7 Å²	102.7	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-59.1	-44.1	177.4	-168.4	-164.5	154.5	0	0	112.8	A2 A4 T9 K10	A2-E6 PolarHBondContact O-N 3.27Å; A4-E6 VanDerWaalsContact C-N 3.32Å; A4-E6 PolarHBondContact O-N 2.97Å; E6-T9 PolarHBondContact O-N 3.48Å; E6-K10 HydrophobicContact CG-CD 4.41Å; E6-K10 WeakPolarHBondContact O-CB 3.34Å; E6-K10 WeakPolarHBondContact O-CG 2.78Å; E6-K10 PolarHBondContact O-N 3.23Å; E6-K10 WeakPolarHBondContact OE1-CE 3.09Å; E6-K10 IonicContact OE1-NZ 2.66Å; E6-K10 PolarHBondContact OE1-NZ 3.19Å
7	Y	91.1	Very high	88.1	Confident	141 Å²	141	96.8 Å²	96.8	55%	0.553	50%	0.501	S	S	*	.	H	α-helix	trans	-59.9	-48.6	175.9	173.2	-95.6	0	0	0	111.6	K3 A4 T5 T9 K10 L11	K3-Y7 PolarHBondContact O-N 2.99Å; A4-Y7 PolarHBondContact O-N 2.98Å; T5-Y7 PolarHBondContact O-N 2.94Å; Y7-T9 VanDerWaalsContact C-N 3.35Å; Y7-T9 PolarHBondContact O-N 3.02Å; Y7-K10 PolarHBondContact O-N 3.38Å; Y7-L11 HydrophobicContact CE1-CD2 4.36Å; Y7-L11 WeakPolarHBondContact O-CB 3.4Å; Y7-L11 PolarHBondContact O-N 2.96Å
8	W	91.7	Very high	88.4	Confident	153 Å²	153	93.3 Å²	93.3	58%	0.58	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-43.1	178.3	-70.5	118.3	0	0	0	111.6	A4 T5 K10 L11 L12	A4-W8 PolarHBondContact O-N 3.36Å; T5-W8 PolarHBondContact O-N 3.32Å; W8-K10 PolarHBondContact O-N 3.13Å; W8-L11 HydrophobicContact CE3-CD2 4.2Å; W8-L11 HydrophobicContact CZ3-CD2 4.1Å; W8-L11 PolarHBondContact O-N 3.14Å; W8-L12 VanDerWaalsContact O-CB 3.22Å; W8-L12 WeakPolarHBondContact O-CB 3.49Å; W8-L12 WeakPolarHBondContact O-CG 3.43Å; W8-L12 PolarHBondContact O-N 3.24Å
9	T	90.3	Very high	88.6	Confident	65 Å²	65	95.8 Å²	95.8	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-43.4	176	-54.1	0	0	0	0	111.4	T5 E6 Y7 N13	T5-T9 PolarHBondContact O-N 3.01Å; T5-T9 PolarHBondContact O-OG1 3.47Å; E6-T9 PolarHBondContact O-N 3.48Å; Y7-T9 VanDerWaalsContact C-N 3.35Å; Y7-T9 PolarHBondContact O-N 3.02Å; T9-N13 VanDerWaalsContact CG2-ND2 3.35Å; T9-N13 WeakPolarHBondContact CG2-ND2 3.43Å; T9-N13 VanDerWaalsContact O-CB 3.27Å; T9-N13 WeakPolarHBondContact O-CB 3.47Å; T9-N13 PolarHBondContact O-N 2.94Å; T9-N13 PolarHBondContact O-ND2 3.06Å
10	K	92	Very high	88.9	Confident	133 Å²	133	92.9 Å²	92.9	58%	0.578	48%	0.479	S	S	*	.	H	α-helix	trans	-62.1	-46.4	175.9	-81.3	175.3	171	168.9	0	112.1	E6 Y7 W8 H14	E6-K10 HydrophobicContact CG-CD 4.41Å; E6-K10 WeakPolarHBondContact O-CB 3.34Å; E6-K10 WeakPolarHBondContact O-CG 2.78Å; E6-K10 PolarHBondContact O-N 3.23Å; E6-K10 WeakPolarHBondContact OE1-CE 3.09Å; E6-K10 IonicContact OE1-NZ 2.66Å; E6-K10 PolarHBondContact OE1-NZ 3.19Å; Y7-K10 PolarHBondContact O-N 3.38Å; W8-K10 PolarHBondContact O-N 3.13Å; K10-H14 PolarHBondContact O-N 3.05Å
11	L	90.7	Very high	89.1	Confident	67 Å²	67	94.1 Å²	94.1	35%	0.351	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-46.5	178.6	-175.3	70.3	0	0	0	111.5	Y7 W8 N13 H14 P18	Y7-L11 HydrophobicContact CE1-CD2 4.36Å; Y7-L11 WeakPolarHBondContact O-CB 3.4Å; Y7-L11 PolarHBondContact O-N 2.96Å; W8-L11 HydrophobicContact CE3-CD2 4.2Å; W8-L11 HydrophobicContact CZ3-CD2 4.1Å; W8-L11 PolarHBondContact O-N 3.14Å; L11-N13 VanDerWaalsContact C-N 3.34Å; L11-N13 PolarHBondContact O-N 3.34Å; L11-H14 PolarHBondContact O-N 3.11Å; L11-P18 WeakPolarHBondContact O-CD 3.39Å
12	L	90.8	Very high	90.4	Very high	71 Å²	71	86.8 Å²	86.8	37%	0.372	45%	0.447	S	S	.	.	H	α-helix	trans	-68.7	-31.2	-177.5	-73.5	173.6	0	0	0	113.2	W8 K19	W8-L12 VanDerWaalsContact O-CB 3.22Å; W8-L12 WeakPolarHBondContact O-CB 3.49Å; W8-L12 WeakPolarHBondContact O-CG 3.43Å; W8-L12 PolarHBondContact O-N 3.24Å; L12-K19 VanDerWaalsContact O-CD 3.26Å; L12-K19 WeakPolarHBondContact O-CD 3.37Å; L12-K19 WeakPolarHBondContact O-CG 3.26Å
13	N	92.6	Very high	90.9	Very high	99 Å²	99	86.7 Å²	86.7	53%	0.529	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6.1	-179	-62.3	-25.5	0	0	0	113.1	T9 L11 K19	T9-N13 VanDerWaalsContact CG2-ND2 3.35Å; T9-N13 WeakPolarHBondContact CG2-ND2 3.43Å; T9-N13 VanDerWaalsContact O-CB 3.27Å; T9-N13 WeakPolarHBondContact O-CB 3.47Å; T9-N13 PolarHBondContact O-N 2.94Å; T9-N13 PolarHBondContact O-ND2 3.06Å; L11-N13 VanDerWaalsContact C-N 3.34Å; L11-N13 PolarHBondContact O-N 3.34Å; N13-K19 PolarHBondContact OD1-NZ 3.29Å
14	H	90.3	Very high	91.4	Very high	102 Å²	102	83.9 Å²	83.9	47%	0.472	42%	0.416	S	S	.	.	S	Bend	trans	-61	139.9	173.9	-172.5	-94.5	0	0	0	110.1	K10 L11 A16 G17	K10-H14 PolarHBondContact O-N 3.05Å; L11-H14 PolarHBondContact O-N 3.11Å; H14-A16 PolarHBondContact ND1-N 2.88Å; H14-A16 VanDerWaalsContact ND1-N 3.11Å; H14-A16 PolarHBondContact O-N 3.27Å; H14-A16 VanDerWaalsContact O-N 3.14Å; H14-G17 WeakPolarHBondContact O-CA 3.4Å; H14-G17 PolarHBondContact O-N 3.03Å
15	P	88.3	Confident	91.8	Very high	80 Å²	80	82.8 Å²	82.8	52%	0.519	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.8	-177.7	21.9	-34.3	0	0	0	113.7	T20 P71	P15-T20 WeakPolarHBondContact O-CG2 3.25Å; P15-T20 PolarHBondContact O-OG1 3.2Å; P15-P71 HydrophobicContact CB-CG 4.23Å
16	A	89.5	Confident	92.2	Very high	24 Å²	24	78.8 Å²	78.8	20%	0.198	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	25.3	169.6	0	0	0	0	0	113.2	H14 F22 P71	H14-A16 PolarHBondContact ND1-N 2.88Å; H14-A16 VanDerWaalsContact ND1-N 3.11Å; H14-A16 PolarHBondContact O-N 3.27Å; H14-A16 VanDerWaalsContact O-N 3.14Å; A16-F22 HydrophobicContact CB-CB 3.9Å; A16-P71 HydrophobicContact CB-CG 4.04Å
17	G	90.6	Very high	92.4	Very high	3 Å²	3	76.5 Å²	76.5	3%	0.031	38%	0.38	C	S	.	.	S	Bend	trans	-83.3	-179.3	-177	0	0	0	0	0	113.8	H14 K19 T20 F23	H14-G17 WeakPolarHBondContact O-CA 3.4Å; H14-G17 PolarHBondContact O-N 3.03Å; G17-K19 PolarHBondContact O-N 3.44Å; G17-T20 PolarHBondContact O-N 3.49Å; G17-T20 PolarHBondContact O-OG1 3.02Å; G17-F23 WeakPolarHBondContact O-CB 3.4Å
18	P	93.5	Very high	92.7	Very high	34 Å²	34	76.8 Å²	76.8	22%	0.221	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.5	-173.1	-25	34.9	0	0	0	116.1	L11 T20 F23 W24	L11-P18 WeakPolarHBondContact O-CD 3.39Å; P18-T20 VanDerWaalsContact C-N 3.31Å; P18-F23 HydrophobicContact CB-CD1 4.25Å; P18-F23 HydrophobicContact CB-CE1 4.41Å; P18-F23 HydrophobicContact CB-CG 4.49Å; P18-F23 HydrophobicContact CG-CD2 4.39Å; P18-F23 HydrophobicContact CG-CE1 4.48Å; P18-F23 HydrophobicContact CG-CE2 4.36Å; P18-F23 HydrophobicContact CG-CG 4.47Å; P18-F23 HydrophobicContact CG-CZ 4.4Å; P18-W24 PolarHBondContact O-NE1 2.9Å
19	K	93.1	Very high	92.9	Very high	141 Å²	141	72.4 Å²	72.4	61%	0.613	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.9	174.2	-64.6	-177.3	-175.5	168.6	0	113.5	L12 N13 G17	L12-K19 VanDerWaalsContact O-CD 3.26Å; L12-K19 WeakPolarHBondContact O-CD 3.37Å; L12-K19 WeakPolarHBondContact O-CG 3.26Å; N13-K19 PolarHBondContact OD1-NZ 3.29Å; G17-K19 PolarHBondContact O-N 3.44Å
20	T	93.9	Very high	93.2	Very high	37 Å²	37	73.9 Å²	73.9	23%	0.227	37%	0.368	C	S	.	.	S	Bend	trans	-125.5	155.7	-173.1	79.9	0	0	0	0	112.4	P15 G17 P18 F22 F23	P15-T20 WeakPolarHBondContact O-CG2 3.25Å; P15-T20 PolarHBondContact O-OG1 3.2Å; G17-T20 PolarHBondContact O-N 3.49Å; G17-T20 PolarHBondContact O-OG1 3.02Å; P18-T20 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 2.97Å; T20-F22 PolarHBondContact OG1-N 3.4Å; T20-F23 PolarHBondContact O-N 3.34Å; T20-F23 VanDerWaalsContact O-N 3.11Å
21	I	93.3	Very high	93.4	Very high	118 Å²	118	70.5 Å²	70.5	61%	0.605	36%	0.364	S	S	*	.	H	α-helix	trans	-63.4	-23.2	175.8	-166	57	0	0	0	112.1	F23 W24 A25	I21-F23 PolarHBondContact O-N 3.47Å; I21-W24 PolarHBondContact O-N 3.34Å; I21-A25 HydrophobicContact CD1-CB 4.24Å; I21-A25 HydrophobicContact CG1-CB 4.18Å; I21-A25 WeakPolarHBondContact O-CB 3.49Å; I21-A25 PolarHBondContact O-N 3.44Å
22	F	93.3	Very high	93.7	Very high	57 Å²	57	71.5 Å²	71.5	25%	0.25	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-27	175.4	-61.1	-81.6	0	0	0	112.2	A16 T20 P26 I69 V70 P71 N73	A16-F22 HydrophobicContact CB-CB 3.9Å; T20-F22 PolarHBondContact O-N 2.97Å; T20-F22 PolarHBondContact OG1-N 3.4Å; F22-P26 WeakPolarHBondContact O-CD 3.33Å; F22-P26 WeakPolarHBondContact O-CG 3.39Å; F22-I69 HydrophobicContact CD1-CD1 4.2Å; F22-I69 HydrophobicContact CE1-CD1 4.08Å; F22-V70 WeakPolarHBondContact CZ-O 3.46Å; F22-P71 HydrophobicContact CD1-CG 4.42Å; F22-P71 HydrophobicContact CD2-CG 4.44Å; F22-P71 HydrophobicContact CG-CG 4.37Å; F22-N73 PolarHBondContact O-ND2 3.34Å
23	F	94.5	Very high	94	Very high	84 Å²	84	68.4 Å²	68.4	37%	0.368	35%	0.353	S	S	.	.	H	α-helix	trans	-82.7	-51.8	173.2	-178.2	-93.8	0	0	0	111.8	G17 P18 T20 I21 P26 A27	G17-F23 WeakPolarHBondContact O-CB 3.4Å; P18-F23 HydrophobicContact CB-CD1 4.25Å; P18-F23 HydrophobicContact CB-CE1 4.41Å; P18-F23 HydrophobicContact CB-CG 4.49Å; P18-F23 HydrophobicContact CG-CD2 4.39Å; P18-F23 HydrophobicContact CG-CE1 4.48Å; P18-F23 HydrophobicContact CG-CE2 4.36Å; P18-F23 HydrophobicContact CG-CG 4.47Å; P18-F23 HydrophobicContact CG-CZ 4.4Å; T20-F23 PolarHBondContact O-N 3.34Å; T20-F23 VanDerWaalsContact O-N 3.11Å; I21-F23 PolarHBondContact O-N 3.47Å; F23-P26 VanDerWaalsContact O-CD 3.31Å; F23-P26 WeakPolarHBondContact O-CD 3.43Å; F23-P26 VanDerWaalsContact O-CG 3.32Å; F23-P26 WeakPolarHBondContact O-CG 3.38Å; F23-A27 WeakPolarHBondContact O-CB 3.49Å; F23-A27 PolarHBondContact O-N 3.45Å
24	W	95.3	Very high	94.3	Very high	116 Å²	116	69.2 Å²	69.2	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-73.1	-36.7	-170.8	-68.7	104.4	0	0	0	113.6	P18 I21 A27 F28	P18-W24 PolarHBondContact O-NE1 2.9Å; I21-W24 PolarHBondContact O-N 3.34Å; W24-A27 WeakPolarHBondContact O-CB 3.23Å; W24-A27 PolarHBondContact O-N 3.49Å; W24-F28 HydrophobicContact CB-CD2 4.33Å; W24-F28 HydrophobicContact CB-CE2 4.23Å; W24-F28 HydrophobicContact CD2-CE2 4.38Å; W24-F28 HydrophobicContact CE3-CD2 4.44Å; W24-F28 AromaticContact CE3-CE2 3.63Å; W24-F28 HydrophobicContact CE3-CE2 3.63Å; W24-F28 HydrophobicContact CE3-CZ 4.1Å; W24-F28 HydrophobicContact CZ3-CE2 4.4Å; W24-F28 HydrophobicContact CZ3-CZ 4.44Å; W24-F28 WeakPolarHBondContact O-CD2 3.37Å; W24-F28 PolarHBondContact O-N 2.88Å
25	A	94.7	Very high	94.6	Very high	30 Å²	30	66.9 Å²	66.9	25%	0.248	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-52.6	179.9	0	0	0	0	0	113.1	I21 K29	I21-A25 HydrophobicContact CD1-CB 4.24Å; I21-A25 HydrophobicContact CG1-CB 4.18Å; I21-A25 WeakPolarHBondContact O-CB 3.49Å; I21-A25 PolarHBondContact O-N 3.44Å; A25-K29 WeakPolarHBondContact O-CB 3.45Å; A25-K29 VanDerWaalsContact O-CG 3.31Å; A25-K29 WeakPolarHBondContact O-CG 3.35Å; A25-K29 PolarHBondContact O-N 3.43Å
26	P	95.7	Very high	94.9	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-37	174.2	25.2	-32.8	0	0	0	112.4	F22 F23 F28 K29 W30 L76	F22-P26 WeakPolarHBondContact O-CD 3.33Å; F22-P26 WeakPolarHBondContact O-CG 3.39Å; F23-P26 VanDerWaalsContact O-CD 3.31Å; F23-P26 WeakPolarHBondContact O-CD 3.43Å; F23-P26 VanDerWaalsContact O-CG 3.32Å; F23-P26 WeakPolarHBondContact O-CG 3.38Å; P26-F28 VanDerWaalsContact C-N 3.32Å; P26-F28 PolarHBondContact O-N 2.96Å; P26-K29 PolarHBondContact O-N 3.08Å; P26-W30 PolarHBondContact O-N 3.27Å; P26-W30 VanDerWaalsContact O-N 3.12Å; P26-L76 HydrophobicContact CB-CB 4.16Å; P26-L76 HydrophobicContact CB-CD1 4.14Å; P26-L76 HydrophobicContact CG-CB 4.49Å
27	A	95.7	Very high	95.3	Very high	48 Å²	48	66.8 Å²	66.8	40%	0.397	35%	0.348	S	S	.	.	H	α-helix	trans	-55.1	-46.3	179.1	0	0	0	0	0	112	F23 W24	F23-A27 WeakPolarHBondContact O-CB 3.49Å; F23-A27 PolarHBondContact O-N 3.45Å; W24-A27 WeakPolarHBondContact O-CB 3.23Å; W24-A27 PolarHBondContact O-N 3.49Å
28	F	95.8	Very high	95.5	Very high	146 Å²	146	69.6 Å²	69.6	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-75.1	-36.6	176.2	-72.6	-68.7	0	0	0	113.2	W24 P26 W30 A31	W24-F28 HydrophobicContact CB-CD2 4.33Å; W24-F28 HydrophobicContact CB-CE2 4.23Å; W24-F28 HydrophobicContact CD2-CE2 4.38Å; W24-F28 HydrophobicContact CE3-CD2 4.44Å; W24-F28 AromaticContact CE3-CE2 3.63Å; W24-F28 HydrophobicContact CE3-CE2 3.63Å; W24-F28 HydrophobicContact CE3-CZ 4.1Å; W24-F28 HydrophobicContact CZ3-CE2 4.4Å; W24-F28 HydrophobicContact CZ3-CZ 4.44Å; W24-F28 WeakPolarHBondContact O-CD2 3.37Å; W24-F28 PolarHBondContact O-N 2.88Å; P26-F28 VanDerWaalsContact C-N 3.32Å; P26-F28 PolarHBondContact O-N 2.96Å; F28-W30 PolarHBondContact O-N 3.17Å; F28-W30 VanDerWaalsContact O-N 3.16Å; F28-A31 VanDerWaalsContact O-CB 3.25Å; F28-A31 WeakPolarHBondContact O-CB 3.36Å; F28-A31 PolarHBondContact O-N 3.33Å
29	K	96.3	Very high	95.6	Very high	62 Å²	62	68.8 Å²	68.8	27%	0.27	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-24	179.3	-81.9	-176.8	168.6	-161.6	0	113	A25 P26 A31 L32 L76 V79 N80	A25-K29 WeakPolarHBondContact O-CB 3.45Å; A25-K29 VanDerWaalsContact O-CG 3.31Å; A25-K29 WeakPolarHBondContact O-CG 3.35Å; A25-K29 PolarHBondContact O-N 3.43Å; P26-K29 PolarHBondContact O-N 3.08Å; K29-A31 PolarHBondContact O-N 2.94Å; K29-A31 VanDerWaalsContact O-N 3.14Å; K29-L32 VanDerWaalsContact O-CB 3.31Å; K29-L32 WeakPolarHBondContact O-CB 3.48Å; K29-L32 PolarHBondContact O-N 3.33Å; K29-L76 HydrophobicContact CD-CD1 3.67Å; K29-V79 VanDerWaalsContact C-CG2 3.4Å; K29-V79 HydrophobicContact CB-CB 4.46Å; K29-V79 HydrophobicContact CB-CG1 3.87Å; K29-V79 HydrophobicContact CB-CG2 3.73Å; K29-V79 HydrophobicContact CD-CG1 4.25Å; K29-V79 WeakPolarHBondContact O-CG2 3.37Å; K29-N80 PolarHBondContact NZ-OD1 3.09Å
30	W	97	Very high	95.5	Very high	96 Å²	96	64.8 Å²	64.8	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-57.7	-25.6	174	-83.4	109	0	0	0	113	P26 F28 L32 V33 L34 S75 V79 L82	P26-W30 PolarHBondContact O-N 3.27Å; P26-W30 VanDerWaalsContact O-N 3.12Å; F28-W30 PolarHBondContact O-N 3.17Å; F28-W30 VanDerWaalsContact O-N 3.16Å; W30-L32 PolarHBondContact O-N 3.2Å; W30-V33 HydrophobicContact CE3-CB 3.96Å; W30-V33 HydrophobicContact CE3-CG1 4.15Å; W30-V33 HydrophobicContact CE3-CG2 4.02Å; W30-V33 HydrophobicContact CZ3-CB 4.33Å; W30-V33 HydrophobicContact CZ3-CG1 4.07Å; W30-V33 HydrophobicContact CZ3-CG2 4.26Å; W30-V33 WeakPolarHBondContact O-CB 3.33Å; W30-V33 PolarHBondContact O-N 2.9Å; W30-V33 VanDerWaalsContact O-N 3.11Å; W30-L34 PolarHBondContact O-N 3.39Å; W30-L34 VanDerWaalsContact O-N 3.08Å; W30-S75 PolarHBondContact NE1-OG 2.72Å; W30-V79 HydrophobicContact CD2-CB 4.41Å; W30-V79 HydrophobicContact CD2-CG2 4.2Å; W30-V79 HydrophobicContact CG-CG2 4.26Å; W30-L82 HydrophobicContact CH2-CD1 3.58Å; W30-L82 HydrophobicContact CZ3-CD1 3.54Å
31	A	97.3	Very high	95.5	Very high	61 Å²	61	67.6 Å²	67.6	50%	0.504	38%	0.382	S	S	.	.	H	α-helix	trans	-58.6	-33.3	171.8	0	0	0	0	0	112.6	F28 K29 L34 A35	F28-A31 VanDerWaalsContact O-CB 3.25Å; F28-A31 WeakPolarHBondContact O-CB 3.36Å; F28-A31 PolarHBondContact O-N 3.33Å; K29-A31 PolarHBondContact O-N 2.94Å; K29-A31 VanDerWaalsContact O-N 3.14Å; A31-L34 PolarHBondContact O-N 3.06Å; A31-A35 VanDerWaalsContact O-CB 3.32Å; A31-A35 WeakPolarHBondContact O-CB 3.3Å; A31-A35 PolarHBondContact O-N 3.23Å
32	L	96.6	Very high	95.5	Very high	88 Å²	88	68.6 Å²	68.6	46%	0.461	38%	0.378	S	S	.	.	H	α-helix	trans	-68	-37.3	176.1	-61.4	177.4	0	0	0	112	K29 W30 A35 G36 V83	K29-L32 VanDerWaalsContact O-CB 3.31Å; K29-L32 WeakPolarHBondContact O-CB 3.48Å; K29-L32 PolarHBondContact O-N 3.33Å; W30-L32 PolarHBondContact O-N 3.2Å; L32-A35 PolarHBondContact O-N 3.28Å; L32-G36 PolarHBondContact O-N 3.49Å; L32-V83 HydrophobicContact CB-CG2 3.82Å
33	V	97.6	Very high	95.6	Very high	6 Å²	6	68.4 Å²	68.4	4%	0.036	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-47.7	175.2	175.2	0	0	0	0	109.7	W30 A35 G36 L37 V79 L82 V83 I86	W30-V33 HydrophobicContact CE3-CB 3.96Å; W30-V33 HydrophobicContact CE3-CG1 4.15Å; W30-V33 HydrophobicContact CE3-CG2 4.02Å; W30-V33 HydrophobicContact CZ3-CB 4.33Å; W30-V33 HydrophobicContact CZ3-CG1 4.07Å; W30-V33 HydrophobicContact CZ3-CG2 4.26Å; W30-V33 WeakPolarHBondContact O-CB 3.33Å; W30-V33 PolarHBondContact O-N 2.9Å; W30-V33 VanDerWaalsContact O-N 3.11Å; V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 2.97Å; V33-G36 PolarHBondContact O-N 2.85Å; V33-L37 HydrophobicContact CG1-CD1 4.25Å; V33-L37 WeakPolarHBondContact O-CG 3.23Å; V33-L37 PolarHBondContact O-N 3.32Å; V33-V79 HydrophobicContact CG2-CG2 3.59Å; V33-L82 HydrophobicContact CG1-CB 4.17Å; V33-L82 HydrophobicContact CG1-CD1 4.21Å; V33-L82 HydrophobicContact CG2-CB 3.84Å; V33-V83 HydrophobicContact CG2-CG2 3.72Å; V33-I86 HydrophobicContact CG1-CD1 3.94Å
34	L	97.5	Very high	95.6	Very high	116 Å²	116	66.5 Å²	66.5	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-61.3	-43.1	177.9	-63.9	176.6	0	0	0	111.9	W30 A31 L37 A38	W30-L34 PolarHBondContact O-N 3.39Å; W30-L34 VanDerWaalsContact O-N 3.08Å; A31-L34 PolarHBondContact O-N 3.06Å; L34-L37 PolarHBondContact O-N 2.91Å; L34-A38 PolarHBondContact O-N 2.87Å
35	A	96.2	Very high	95.5	Very high	53 Å²	53	67.8 Å²	67.8	44%	0.438	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-44.7	175.6	0	0	0	0	0	111.9	A31 L32 V33 L37 A38 D39	A31-A35 VanDerWaalsContact O-CB 3.32Å; A31-A35 WeakPolarHBondContact O-CB 3.3Å; A31-A35 PolarHBondContact O-N 3.23Å; L32-A35 PolarHBondContact O-N 3.28Å; V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 2.97Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.41Å; A35-A38 WeakPolarHBondContact O-CB 3.49Å; A35-A38 PolarHBondContact O-N 2.81Å; A35-A38 VanDerWaalsContact O-N 3.17Å; A35-D39 PolarHBondContact O-N 2.96Å
36	G	96.2	Very high	95.5	Very high	6 Å²	6	75.7 Å²	75.7	6%	0.062	41%	0.413	C	S	.	.	H	α-helix	trans	-66	-33	177.5	0	0	0	0	0	113.4	L32 V33 D39 I86 Q90	L32-G36 PolarHBondContact O-N 3.49Å; V33-G36 PolarHBondContact O-N 2.85Å; G36-D39 PolarHBondContact O-N 3.49Å; G36-I86 WeakPolarHBondContact O-CG2 3.47Å; G36-Q90 PolarHBondContact O-NE2 2.92Å
37	L	96.5	Very high	95.5	Very high	96 Å²	96	76.3 Å²	76.3	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-41.8	171.2	-71.1	175.9	0	0	0	111.1	V33 L34 A35 D39 S40 I86	V33-L37 HydrophobicContact CG1-CD1 4.25Å; V33-L37 WeakPolarHBondContact O-CG 3.23Å; V33-L37 PolarHBondContact O-N 3.32Å; L34-L37 PolarHBondContact O-N 2.91Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.41Å; L37-D39 VanDerWaalsContact C-N 3.26Å; L37-D39 PolarHBondContact O-N 2.88Å; L37-S40 WeakPolarHBondContact O-CB 3.39Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 3.11Å; L37-I86 HydrophobicContact CD2-CD1 3.82Å; L37-I86 HydrophobicContact CD2-CG1 4.29Å; L37-I86 HydrophobicContact CG-CD1 3.87Å
38	A	96	Very high	95.5	Very high	62 Å²	62	76.3 Å²	76.3	51%	0.512	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-31.2	176.5	0	0	0	0	0	112.8	L34 A35 S40 A41	L34-A38 PolarHBondContact O-N 2.87Å; A35-A38 WeakPolarHBondContact O-CB 3.49Å; A35-A38 PolarHBondContact O-N 2.81Å; A35-A38 VanDerWaalsContact O-N 3.17Å; A38-S40 PolarHBondContact O-N 3.12Å; A38-S40 VanDerWaalsContact O-N 3.14Å; A38-A41 PolarHBondContact O-N 2.91Å; A38-A41 VanDerWaalsContact O-N 3.13Å
39	D	94.5	Very high	95.6	Very high	17 Å²	17	73.2 Å²	73.2	9%	0.091	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-61.7	-17	171.8	-78.9	-23.7	0	0	0	112.8	A35 G36 L37 A41 R42 L47 R93	A35-D39 PolarHBondContact O-N 2.96Å; G36-D39 PolarHBondContact O-N 3.49Å; L37-D39 VanDerWaalsContact C-N 3.26Å; L37-D39 PolarHBondContact O-N 2.88Å; D39-A41 PolarHBondContact O-N 3.14Å; D39-R42 WeakPolarHBondContact O-CB 3.32Å; D39-R42 PolarHBondContact O-N 3.47Å; D39-R42 VanDerWaalsContact OD1-CD 3.26Å; D39-R42 WeakPolarHBondContact OD1-CD 3.31Å; D39-R42 IonicContact OD1-CZ 3.18Å; D39-R42 IonicContact OD1-NE 3.33Å; D39-R42 PolarHBondContact OD1-NE 3.35Å; D39-R42 IonicContact OD1-NH1 2.72Å; D39-R42 PolarHBondContact OD1-NH1 2.92Å; D39-L47 HydrophobicContact CB-CD2 3.95Å; D39-R93 PolarHBondContact O-NH1 3.03Å
40	S	91.3	Very high	95.6	Very high	57 Å²	57	74.6 Å²	74.6	40%	0.399	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-65.3	-27.6	174.8	-51.5	0	0	0	0	112.9	L37 A38 R42 Q90 R93	L37-S40 WeakPolarHBondContact O-CB 3.39Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 3.11Å; A38-S40 PolarHBondContact O-N 3.12Å; A38-S40 VanDerWaalsContact O-N 3.14Å; S40-R42 VanDerWaalsContact C-N 3.27Å; S40-Q90 PolarHBondContact OG-NE2 3.28Å; S40-R93 PolarHBondContact O-NH1 2.72Å; S40-R93 PolarHBondContact O-NH2 3.3Å
41	A	94	Very high	95.6	Very high	96 Å²	96	75 Å²	75	79%	0.793	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-79	-11.7	174.2	0	0	0	0	0	112.7	A38 D39	A38-A41 PolarHBondContact O-N 2.91Å; A38-A41 VanDerWaalsContact O-N 3.13Å; D39-A41 PolarHBondContact O-N 3.14Å
42	R	93.8	Very high	95.6	Very high	140 Å²	140	72.4 Å²	72.4	53%	0.528	41%	0.407	S	S	.	.	S	Bend	trans	-81.8	144.8	179.5	-63.9	-176.8	178.8	171.3	-8.4	110.9	D39 S40 L47 R93	D39-R42 WeakPolarHBondContact O-CB 3.32Å; D39-R42 PolarHBondContact O-N 3.47Å; D39-R42 VanDerWaalsContact OD1-CD 3.26Å; D39-R42 WeakPolarHBondContact OD1-CD 3.31Å; D39-R42 IonicContact OD1-CZ 3.18Å; D39-R42 IonicContact OD1-NE 3.33Å; D39-R42 PolarHBondContact OD1-NE 3.35Å; D39-R42 IonicContact OD1-NH1 2.72Å; D39-R42 PolarHBondContact OD1-NH1 2.92Å; S40-R42 VanDerWaalsContact C-N 3.27Å; R42-L47 HydrophobicContact CB-CD2 4.04Å; R42-R93 PolarHBondContact O-NH2 3.04Å
43	P	95.1	Very high	95.6	Very high	53 Å²	53	70.2 Å²	70.2	34%	0.344	40%	0.399	S	S	.	.			trans	-61.3	139.4	172.5	-16.6	29.6	0	0	0	111.1	E45 R46	P43-E45 VanDerWaalsContact C-N 3.29Å; P43-E45 VanDerWaalsContact C-OE1 3.27Å; P43-E45 WeakPolarHBondContact CA-OE1 3.32Å; P43-E45 VanDerWaalsContact CB-CD 3.43Å; P43-E45 WeakPolarHBondContact CB-OE1 3.47Å; P43-E45 WeakPolarHBondContact CB-OE2 3.26Å; P43-E45 PolarHBondContact O-N 3.38Å; P43-R46 PolarHBondContact O-N 3.05Å
44	P	94.1	Very high	95.7	Very high	43 Å²	43	72.4 Å²	72.4	28%	0.279	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-57.7	-34.7	-175.5	-25.7	34.8	0	0	0	115	R46 L47 R93	P44-R46 PolarHBondContact O-N 3.4Å; P44-L47 WeakPolarHBondContact O-CB 3.39Å; P44-L47 PolarHBondContact O-N 3Å; P44-R93 WeakPolarHBondContact CB-O 3.46Å
45	E	93.9	Very high	95.7	Very high	143 Å²	143	69.1 Å²	69.1	67%	0.668	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15.5	178.2	10.8	53.3	-119.4	0	0	113.7	P43	P43-E45 VanDerWaalsContact C-N 3.29Å; P43-E45 VanDerWaalsContact C-OE1 3.27Å; P43-E45 WeakPolarHBondContact CA-OE1 3.32Å; P43-E45 VanDerWaalsContact CB-CD 3.43Å; P43-E45 WeakPolarHBondContact CB-OE1 3.47Å; P43-E45 WeakPolarHBondContact CB-OE2 3.26Å; P43-E45 PolarHBondContact O-N 3.38Å
46	R	95	Very high	95.8	Very high	197 Å²	197	66.9 Å²	66.9	74%	0.743	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-94.6	-3.7	174.1	-59.7	-166.4	-177.2	-175.3	-0.6	113.6	P43 P44	P43-R46 PolarHBondContact O-N 3.05Å; P44-R46 PolarHBondContact O-N 3.4Å
47	L	95.6	Very high	95.9	Very high	17 Å²	17	70.8 Å²	70.8	9%	0.089	41%	0.405	C	S	.	.	S	Bend	trans	-83.5	134.6	179	-61.6	174.5	0	0	0	110.3	D39 R42 P44 V49 Q90 I94	D39-L47 HydrophobicContact CB-CD2 3.95Å; R42-L47 HydrophobicContact CB-CD2 4.04Å; P44-L47 WeakPolarHBondContact O-CB 3.39Å; P44-L47 PolarHBondContact O-N 3Å; L47-V49 PolarHBondContact O-N 3.44Å; L47-Q90 HydrophobicContact CD1-CB 4.27Å; L47-I94 HydrophobicContact CB-CD1 3.59Å; L47-I94 HydrophobicContact CB-CG1 3.71Å; L47-I94 HydrophobicContact CD1-CG1 4.15Å
48	S	95.5	Very high	96	Very high	48 Å²	48	69.1 Å²	69.1	34%	0.336	40%	0.399	S	S	.	.			trans	-80.1	120.6	177.4	169.3	0	0	0	0	111	S50 Q51 S52	S48-S50 PolarHBondContact OG-N 3.45Å; S48-S50 PolarHBondContact OG-OG 3.21Å; S48-Q51 WeakPolarHBondContact OG-CB 3.27Å; S48-Q51 PolarHBondContact OG-N 3.33Å; S48-Q51 VanDerWaalsContact OG-N 3.12Å; S48-S52 WeakPolarHBondContact O-CB 3.08Å; S48-S52 PolarHBondContact O-N 2.65Å; S48-S52 PolarHBondContact O-OG 3.47Å
49	V	96.8	Very high	96.1	Very high	80 Å²	80	66.2 Å²	66.2	49%	0.485	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-43.6	173.2	175.7	0	0	0	0	110.9	L47 S52 S53 L91 I94	L47-V49 PolarHBondContact O-N 3.44Å; V49-S52 PolarHBondContact O-N 2.88Å; V49-S53 VanDerWaalsContact O-CB 3.23Å; V49-S53 WeakPolarHBondContact O-CB 3.45Å; V49-S53 PolarHBondContact O-N 2.65Å; V49-S53 PolarHBondContact O-OG 3.47Å; V49-L91 HydrophobicContact CG1-CD2 4.04Å; V49-I94 HydrophobicContact CG2-CD1 4.06Å; V49-I94 HydrophobicContact CG2-CG2 3.72Å
50	S	97.5	Very high	96.2	Very high	92 Å²	92	69.7 Å²	69.7	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-65.7	-43	-178.7	59.2	0	0	0	0	111.4	S48 A54	S48-S50 PolarHBondContact OG-N 3.45Å; S48-S50 PolarHBondContact OG-OG 3.21Å; S50-A54 WeakPolarHBondContact O-CB 3.33Å; S50-A54 PolarHBondContact O-N 2.94Å
51	Q	96.6	Very high	96.5	Very high	104 Å²	104	70.2 Å²	70.2	49%	0.486	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-47.9	177.4	-174.8	174.7	-51.8	0	0	111.3	S48 S53 A54 L55	S48-Q51 WeakPolarHBondContact OG-CB 3.27Å; S48-Q51 PolarHBondContact OG-N 3.33Å; S48-Q51 VanDerWaalsContact OG-N 3.12Å; Q51-S53 VanDerWaalsContact C-N 3.31Å; Q51-S53 PolarHBondContact O-N 2.93Å; Q51-A54 PolarHBondContact O-N 3.04Å; Q51-L55 HydrophobicContact CG-CD1 4.15Å; Q51-L55 WeakPolarHBondContact O-CG 3.38Å; Q51-L55 PolarHBondContact O-N 3.24Å
52	S	97	Very high	96.7	Very high	7 Å²	7	71.4 Å²	71.4	5%	0.049	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-38.7	-180	-55	0	0	0	0	111.5	S48 V49 L55 A56	S48-S52 WeakPolarHBondContact O-CB 3.08Å; S48-S52 PolarHBondContact O-N 2.65Å; S48-S52 PolarHBondContact O-OG 3.47Å; V49-S52 PolarHBondContact O-N 2.88Å; S52-L55 PolarHBondContact O-N 3.44Å; S52-A56 VanDerWaalsContact O-CB 3.3Å; S52-A56 WeakPolarHBondContact O-CB 3.39Å; S52-A56 PolarHBondContact O-N 3.28Å
53	S	98	Very high	96.9	Very high	42 Å²	42	65.1 Å²	65.1	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-45.8	173.6	-58.2	0	0	0	0	112.3	V49 Q51 L55 A56 V57 L91	V49-S53 VanDerWaalsContact O-CB 3.23Å; V49-S53 WeakPolarHBondContact O-CB 3.45Å; V49-S53 PolarHBondContact O-N 2.65Å; V49-S53 PolarHBondContact O-OG 3.47Å; Q51-S53 VanDerWaalsContact C-N 3.31Å; Q51-S53 PolarHBondContact O-N 2.93Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.91Å; S53-A56 PolarHBondContact O-N 2.98Å; S53-V57 WeakPolarHBondContact O-CG2 3.4Å; S53-V57 PolarHBondContact O-N 3.39Å; S53-L91 WeakPolarHBondContact OG-CD2 3.42Å
54	A	98.1	Very high	97	Very high	52 Å²	52	70.5 Å²	70.5	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-45.6	177.5	0	0	0	0	0	111.1	S50 Q51 T58	S50-A54 WeakPolarHBondContact O-CB 3.33Å; S50-A54 PolarHBondContact O-N 2.94Å; Q51-A54 PolarHBondContact O-N 3.04Å; A54-T58 VanDerWaalsContact O-CB 3.26Å; A54-T58 WeakPolarHBondContact O-CB 3.35Å; A54-T58 WeakPolarHBondContact O-CG2 3.38Å; A54-T58 PolarHBondContact O-N 3.33Å; A54-T58 PolarHBondContact O-OG1 3.04Å
55	L	97.5	Very high	97.2	Very high	46 Å²	46	73.5 Å²	73.5	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-63.8	-42.3	177.2	-67.9	174.4	0	0	0	112	Q51 S52 S53 G59 V83	Q51-L55 HydrophobicContact CG-CD1 4.15Å; Q51-L55 WeakPolarHBondContact O-CG 3.38Å; Q51-L55 PolarHBondContact O-N 3.24Å; S52-L55 PolarHBondContact O-N 3.44Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.91Å; L55-G59 WeakPolarHBondContact O-CA 3.2Å; L55-G59 PolarHBondContact O-N 3.48Å; L55-V83 HydrophobicContact CB-CG1 3.93Å; L55-V83 HydrophobicContact CD2-CG1 3.81Å; L55-V83 HydrophobicContact CG-CG1 4.4Å
56	A	98.2	Very high	97.3	Very high	6 Å²	6	66.8 Å²	66.8	5%	0.05	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-57.7	175.6	0	0	0	0	0	111.9	S52 S53 G59 L60 I88 L91	S52-A56 VanDerWaalsContact O-CB 3.3Å; S52-A56 WeakPolarHBondContact O-CB 3.39Å; S52-A56 PolarHBondContact O-N 3.28Å; S53-A56 PolarHBondContact O-N 2.98Å; A56-G59 PolarHBondContact O-N 3.44Å; A56-L60 WeakPolarHBondContact O-CG 3.26Å; A56-L60 PolarHBondContact O-N 3.29Å; A56-I88 HydrophobicContact CB-CG1 3.82Å; A56-L91 HydrophobicContact CB-CD1 4.3Å
57	V	98.5	Very high	97.4	Very high	89 Å²	89	60 Å²	60	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-49.9	-176	173.7	0	0	0	0	110.9	S53 G59 L60 V61	S53-V57 WeakPolarHBondContact O-CG2 3.4Å; S53-V57 PolarHBondContact O-N 3.39Å; V57-G59 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 3.41Å; V57-L60 PolarHBondContact O-N 3.18Å; V57-V61 HydrophobicContact CG1-CG2 4.46Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.16Å
58	T	98.1	Very high	97.4	Very high	61 Å²	61	63.2 Å²	63.2	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-38.1	-178.3	60.9	0	0	0	0	111.4	A54 L60 V61 W62	A54-T58 VanDerWaalsContact O-CB 3.26Å; A54-T58 WeakPolarHBondContact O-CB 3.35Å; A54-T58 WeakPolarHBondContact O-CG2 3.38Å; A54-T58 PolarHBondContact O-N 3.33Å; A54-T58 PolarHBondContact O-OG1 3.04Å; T58-L60 VanDerWaalsContact C-N 3.34Å; T58-L60 PolarHBondContact O-N 2.92Å; T58-V61 PolarHBondContact O-N 3.17Å; T58-W62 WeakPolarHBondContact O-CB 3.42Å; T58-W62 PolarHBondContact O-N 3.06Å
59	G	98.1	Very high	97.4	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-56.9	-44.9	174.7	0	0	0	0	0	112.6	L55 A56 V57 S63 N80	L55-G59 WeakPolarHBondContact O-CA 3.2Å; L55-G59 PolarHBondContact O-N 3.48Å; A56-G59 PolarHBondContact O-N 3.44Å; V57-G59 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 3.41Å; G59-S63 WeakPolarHBondContact O-CB 3.47Å; G59-S63 PolarHBondContact O-N 3.34Å; G59-S63 PolarHBondContact O-OG 3.3Å; G59-N80 CarbonylContact C-O 3.28Å; G59-N80 VanDerWaalsContact C-O 3.28Å; G59-N80 WeakPolarHBondContact CA-O 3.31Å; G59-N80 CarbonylContact O-C 3.48Å; G59-N80 WeakPolarHBondContact O-CB 3.19Å
60	L	97.7	Very high	97.2	Very high	89 Å²	89	65.8 Å²	65.8	47%	0.466	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-45.9	176.9	-65.5	176.2	0	0	0	112.7	A56 V57 T58 W62 S63 R64 I88	A56-L60 WeakPolarHBondContact O-CG 3.26Å; A56-L60 PolarHBondContact O-N 3.29Å; V57-L60 PolarHBondContact O-N 3.18Å; T58-L60 VanDerWaalsContact C-N 3.34Å; T58-L60 PolarHBondContact O-N 2.92Å; L60-W62 PolarHBondContact O-N 2.95Å; L60-S63 WeakPolarHBondContact O-CB 3.25Å; L60-S63 PolarHBondContact O-N 2.99Å; L60-R64 PolarHBondContact O-N 3.12Å; L60-I88 HydrophobicContact CD1-CD1 4.37Å
61	V	98.2	Very high	97	Very high	68 Å²	68	63.1 Å²	63.1	41%	0.412	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-49.7	178.8	171.1	0	0	0	0	110.6	V57 T58 S63 R64 Y65	V57-V61 HydrophobicContact CG1-CG2 4.46Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.16Å; T58-V61 PolarHBondContact O-N 3.17Å; V61-S63 VanDerWaalsContact C-N 3.29Å; V61-S63 PolarHBondContact O-N 3.2Å; V61-R64 PolarHBondContact O-N 3.28Å; V61-Y65 HydrophobicContact CG1-CD2 3.83Å; V61-Y65 HydrophobicContact CG1-CE2 3.63Å; V61-Y65 VanDerWaalsContact O-CD2 3.26Å; V61-Y65 WeakPolarHBondContact O-CD2 3.48Å; V61-Y65 PolarHBondContact O-N 3.5Å
62	W	97.7	Very high	96.9	Very high	122 Å²	122	64.6 Å²	64.6	46%	0.462	34%	0.338	S	S	.	.	H	α-helix	trans	-71.5	-23	-178.7	-70.6	118.2	0	0	0	113.5	T58 L60 Y65 S66 N80	T58-W62 WeakPolarHBondContact O-CB 3.42Å; T58-W62 PolarHBondContact O-N 3.06Å; L60-W62 PolarHBondContact O-N 2.95Å; W62-Y65 HydrophobicContact CE3-CD2 4.06Å; W62-Y65 HydrophobicContact CE3-CG 4.19Å; W62-Y65 HydrophobicContact CZ3-CD2 4.26Å; W62-Y65 HydrophobicContact CZ3-CG 4.28Å; W62-Y65 PolarHBondContact O-N 2.94Å; W62-S66 WeakPolarHBondContact O-CB 3.13Å; W62-S66 PolarHBondContact O-N 2.92Å; W62-S66 PolarHBondContact O-OG 3.42Å; W62-N80 HydrophobicContact CB-CB 3.86Å; W62-N80 VanDerWaalsContact CB-OD1 3.27Å; W62-N80 WeakPolarHBondContact CB-OD1 3.38Å
63	S	97.9	Very high	96.9	Very high	7 Å²	7	64.8 Å²	64.8	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-48.2	170.5	-64.6	0	0	0	0	110.7	G59 L60 V61 Y65 S66 F77 L81	G59-S63 WeakPolarHBondContact O-CB 3.47Å; G59-S63 PolarHBondContact O-N 3.34Å; G59-S63 PolarHBondContact O-OG 3.3Å; L60-S63 WeakPolarHBondContact O-CB 3.25Å; L60-S63 PolarHBondContact O-N 2.99Å; V61-S63 VanDerWaalsContact C-N 3.29Å; V61-S63 PolarHBondContact O-N 3.2Å; S63-Y65 PolarHBondContact O-N 3.29Å; S63-S66 WeakPolarHBondContact O-CB 3.29Å; S63-S66 PolarHBondContact O-N 3.12Å; S63-F77 WeakPolarHBondContact O-CD2 3.48Å; S63-L81 VanDerWaalsContact OG-CA 3.27Å; S63-L81 WeakPolarHBondContact OG-CA 3.1Å; S63-L81 PolarHBondContact OG-N 3.24Å
64	R	97.7	Very high	96.7	Very high	166 Å²	166	71.1 Å²	71.1	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-48.8	175.2	-179.3	-177.2	179.1	-104.6	1.6	111.6	L60 V61 S66 L67 V68	L60-R64 PolarHBondContact O-N 3.12Å; V61-R64 PolarHBondContact O-N 3.28Å; R64-S66 PolarHBondContact O-N 3.38Å; R64-L67 PolarHBondContact O-N 2.71Å; R64-L67 VanDerWaalsContact O-N 3.07Å; R64-V68 PolarHBondContact O-N 3.49Å
65	Y	96.7	Very high	96.6	Very high	107 Å²	107	71 Å²	71	42%	0.42	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-36.4	-178.2	-78.7	-70.3	0	0	0	112.5	V61 W62 S63 L67 V68 I69	V61-Y65 HydrophobicContact CG1-CD2 3.83Å; V61-Y65 HydrophobicContact CG1-CE2 3.63Å; V61-Y65 VanDerWaalsContact O-CD2 3.26Å; V61-Y65 WeakPolarHBondContact O-CD2 3.48Å; V61-Y65 PolarHBondContact O-N 3.5Å; W62-Y65 HydrophobicContact CE3-CD2 4.06Å; W62-Y65 HydrophobicContact CE3-CG 4.19Å; W62-Y65 HydrophobicContact CZ3-CD2 4.26Å; W62-Y65 HydrophobicContact CZ3-CG 4.28Å; W62-Y65 PolarHBondContact O-N 2.94Å; S63-Y65 PolarHBondContact O-N 3.29Å; Y65-L67 PolarHBondContact O-N 2.69Å; Y65-L67 VanDerWaalsContact O-N 3.14Å; Y65-V68 HydrophobicContact CD1-CG2 4.08Å; Y65-V68 VanDerWaalsContact O-CG2 3.31Å; Y65-V68 WeakPolarHBondContact O-CG2 3.34Å; Y65-V68 PolarHBondContact O-N 3.25Å; Y65-V68 VanDerWaalsContact O-N 3.15Å; Y65-I69 WeakPolarHBondContact O-CG2 3.5Å; Y65-I69 PolarHBondContact O-N 3.15Å; Y65-I69 VanDerWaalsContact O-N 3.09Å
66	S	96.6	Very high	96.6	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-22.9	178.4	-56.3	0	0	0	0	114.3	W62 S63 R64 I69 N73 L76 F77 N80	W62-S66 WeakPolarHBondContact O-CB 3.13Å; W62-S66 PolarHBondContact O-N 2.92Å; W62-S66 PolarHBondContact O-OG 3.42Å; S63-S66 WeakPolarHBondContact O-CB 3.29Å; S63-S66 PolarHBondContact O-N 3.12Å; R64-S66 PolarHBondContact O-N 3.38Å; S66-I69 WeakPolarHBondContact O-CG1 3.45Å; S66-N73 PolarHBondContact O-N 3.07Å; S66-N73 VanDerWaalsContact O-N 3.12Å; S66-L76 WeakPolarHBondContact OG-CG 3.49Å; S66-L76 PolarHBondContact OG-O 3.38Å; S66-F77 VanDerWaalsContact CB-CA 3.46Å; S66-F77 VanDerWaalsContact CB-N 3.31Å; S66-F77 PolarHBondContact OG-N 3.04Å; S66-N80 PolarHBondContact OG-ND2 3.39Å
67	L	96.8	Very high	96.6	Very high	56 Å²	56	72.1 Å²	72.1	29%	0.293	36%	0.355	S	S	.	.	H	α-helix	trans	-96.1	-14.4	-179.9	-60.2	179.8	0	0	0	113.7	R64 Y65 K72 W74 F77	R64-L67 PolarHBondContact O-N 2.71Å; R64-L67 VanDerWaalsContact O-N 3.07Å; Y65-L67 PolarHBondContact O-N 2.69Å; Y65-L67 VanDerWaalsContact O-N 3.14Å; L67-K72 WeakPolarHBondContact O-CE 3.37Å; L67-W74 HydrophobicContact CD2-CE3 3.99Å; L67-W74 HydrophobicContact CD2-CH2 4.27Å; L67-W74 HydrophobicContact CD2-CZ3 3.83Å; L67-F77 HydrophobicContact CD1-CD2 3.79Å; L67-F77 HydrophobicContact CD1-CE2 3.77Å; L67-F77 HydrophobicContact CD1-CG 4.39Å; L67-F77 HydrophobicContact CD1-CZ 4.35Å; L67-F77 HydrophobicContact CD2-CB 3.88Å; L67-F77 HydrophobicContact CD2-CD1 4.27Å; L67-F77 HydrophobicContact CD2-CD2 3.97Å; L67-F77 HydrophobicContact CD2-CG 3.76Å; L67-F77 HydrophobicContact CG-CB 4.36Å; L67-F77 HydrophobicContact CG-CD2 3.76Å; L67-F77 HydrophobicContact CG-CE2 4.27Å; L67-F77 HydrophobicContact CG-CG 4.1Å
68	V	96.6	Very high	96.5	Very high	84 Å²	84	68.9 Å²	68.9	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-102.4	-19.3	177.6	-62.6	0	0	0	0	113.6	R64 Y65	R64-V68 PolarHBondContact O-N 3.49Å; Y65-V68 HydrophobicContact CD1-CG2 4.08Å; Y65-V68 VanDerWaalsContact O-CG2 3.31Å; Y65-V68 WeakPolarHBondContact O-CG2 3.34Å; Y65-V68 PolarHBondContact O-N 3.25Å; Y65-V68 VanDerWaalsContact O-N 3.15Å
69	I	94.3	Very high	96.5	Very high	52 Å²	52	66 Å²	66	27%	0.267	32%	0.322	S	S	.	.	S	Bend	trans	-64.8	152.7	172.1	58.5	175.2	0	0	0	111.5	F22 Y65 S66 P71 K72 N73 L76	F22-I69 HydrophobicContact CD1-CD1 4.2Å; F22-I69 HydrophobicContact CE1-CD1 4.08Å; Y65-I69 WeakPolarHBondContact O-CG2 3.5Å; Y65-I69 PolarHBondContact O-N 3.15Å; Y65-I69 VanDerWaalsContact O-N 3.09Å; S66-I69 WeakPolarHBondContact O-CG1 3.45Å; I69-P71 CarbonylContact O-C 3.25Å; I69-P71 VanDerWaalsContact O-C 3.25Å; I69-K72 VanDerWaalsContact O-CA 3.31Å; I69-K72 WeakPolarHBondContact O-CA 3.27Å; I69-K72 PolarHBondContact O-N 3.43Å; I69-N73 HydrophobicContact CD1-CB 3.83Å; I69-L76 HydrophobicContact CD1-CD2 3.95Å
70	V	94.3	Very high	96.5	Very high	129 Å²	129	66.4 Å²	66.4	78%	0.782	32%	0.324	S	S	*	.	S	Bend	trans	-118.2	124	177	-178.5	0	0	0	0	109.3	F22	F22-V70 WeakPolarHBondContact CZ-O 3.46Å
71	P	93.3	Very high	96.6	Very high	36 Å²	36	65.3 Å²	65.3	23%	0.234	32%	0.318	C	S	.	.	S	Bend	cis	-67.5	151.2	-6.5	31.6	-37.4	0	0	0	112.2	P15 A16 F22 I69 N73	P15-P71 HydrophobicContact CB-CG 4.23Å; A16-P71 HydrophobicContact CB-CG 4.04Å; F22-P71 HydrophobicContact CD1-CG 4.42Å; F22-P71 HydrophobicContact CD2-CG 4.44Å; F22-P71 HydrophobicContact CG-CG 4.37Å; I69-P71 CarbonylContact O-C 3.25Å; I69-P71 VanDerWaalsContact O-C 3.25Å; P71-N73 PolarHBondContact O-N 3.14Å
72	K	94.5	Very high	96.6	Very high	136 Å²	136	65.3 Å²	65.3	59%	0.591	32%	0.316	S	S	*	.			trans	-59.5	131.8	176	-68.9	-178.5	178.4	171.6	0	109.8	L67 I69	L67-K72 WeakPolarHBondContact O-CE 3.37Å; I69-K72 VanDerWaalsContact O-CA 3.31Å; I69-K72 WeakPolarHBondContact O-CA 3.27Å; I69-K72 PolarHBondContact O-N 3.43Å
73	N	95.5	Very high	96.6	Very high	11 Å²	11	60 Å²	60	6%	0.059	30%	0.297	C	S	.	.			trans	-113.7	94.1	-175	-166.8	-25.6	0	0	0	111.2	F22 S66 I69 P71 S75 L76 F77	F22-N73 PolarHBondContact O-ND2 3.34Å; S66-N73 PolarHBondContact O-N 3.07Å; S66-N73 VanDerWaalsContact O-N 3.12Å; I69-N73 HydrophobicContact CD1-CB 3.83Å; P71-N73 PolarHBondContact O-N 3.14Å; N73-S75 PolarHBondContact O-N 3.3Å; N73-S75 PolarHBondContact OD1-N 3.27Å; N73-L76 HydrophobicContact CB-CB 3.76Å; N73-L76 PolarHBondContact O-N 2.88Å; N73-L76 WeakPolarHBondContact OD1-CB 3.42Å; N73-L76 PolarHBondContact OD1-N 2.97Å; N73-F77 PolarHBondContact O-N 3.26Å
74	W	95.3	Very high	96.6	Very high	174 Å²	174	59.7 Å²	59.7	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-66.5	-34.6	-179.8	-66.9	103.6	0	0	0	113.5	L67 L76 F77 G78	L67-W74 HydrophobicContact CD2-CE3 3.99Å; L67-W74 HydrophobicContact CD2-CH2 4.27Å; L67-W74 HydrophobicContact CD2-CZ3 3.83Å; W74-L76 VanDerWaalsContact C-N 3.35Å; W74-F77 HydrophobicContact CE3-CD1 4.2Å; W74-F77 WeakPolarHBondContact O-CB 3.26Å; W74-F77 PolarHBondContact O-N 3.49Å; W74-G78 PolarHBondContact O-N 3.36Å
75	S	95.9	Very high	96.6	Very high	51 Å²	51	55 Å²	55	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-37.8	175.1	-173.6	0	0	0	0	111.3	W30 N73 F77 G78 V79	W30-S75 PolarHBondContact NE1-OG 2.72Å; N73-S75 PolarHBondContact O-N 3.3Å; N73-S75 PolarHBondContact OD1-N 3.27Å; S75-F77 VanDerWaalsContact C-N 3.34Å; S75-G78 PolarHBondContact O-N 2.89Å; S75-V79 PolarHBondContact O-N 3.11Å
76	L	97	Very high	96.7	Very high	22 Å²	22	51 Å²	51	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-37.3	175	-167.8	65.5	0	0	0	111.1	P26 K29 S66 I69 N73 W74 V79 N80	P26-L76 HydrophobicContact CB-CB 4.16Å; P26-L76 HydrophobicContact CB-CD1 4.14Å; P26-L76 HydrophobicContact CG-CB 4.49Å; K29-L76 HydrophobicContact CD-CD1 3.67Å; S66-L76 WeakPolarHBondContact OG-CG 3.49Å; S66-L76 PolarHBondContact OG-O 3.38Å; I69-L76 HydrophobicContact CD1-CD2 3.95Å; N73-L76 HydrophobicContact CB-CB 3.76Å; N73-L76 PolarHBondContact O-N 2.88Å; N73-L76 WeakPolarHBondContact OD1-CB 3.42Å; N73-L76 PolarHBondContact OD1-N 2.97Å; W74-L76 VanDerWaalsContact C-N 3.35Å; L76-V79 HydrophobicContact CD1-CG1 4.14Å; L76-V79 VanDerWaalsContact O-CG1 3.29Å; L76-V79 WeakPolarHBondContact O-CG1 3.19Å; L76-N80 PolarHBondContact O-N 2.73Å; L76-N80 PolarHBondContact O-ND2 3.07Å
77	F	97.6	Very high	96.7	Very high	53 Å²	53	51 Å²	51	23%	0.232	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-52.6	171.9	168.8	-110	0	0	0	111.1	S63 S66 L67 N73 W74 S75 V79 N80 L81	S63-F77 WeakPolarHBondContact O-CD2 3.48Å; S66-F77 VanDerWaalsContact CB-CA 3.46Å; S66-F77 VanDerWaalsContact CB-N 3.31Å; S66-F77 PolarHBondContact OG-N 3.04Å; L67-F77 HydrophobicContact CD1-CD2 3.79Å; L67-F77 HydrophobicContact CD1-CE2 3.77Å; L67-F77 HydrophobicContact CD1-CG 4.39Å; L67-F77 HydrophobicContact CD1-CZ 4.35Å; L67-F77 HydrophobicContact CD2-CB 3.88Å; L67-F77 HydrophobicContact CD2-CD1 4.27Å; L67-F77 HydrophobicContact CD2-CD2 3.97Å; L67-F77 HydrophobicContact CD2-CG 3.76Å; L67-F77 HydrophobicContact CG-CB 4.36Å; L67-F77 HydrophobicContact CG-CD2 3.76Å; L67-F77 HydrophobicContact CG-CE2 4.27Å; L67-F77 HydrophobicContact CG-CG 4.1Å; N73-F77 PolarHBondContact O-N 3.26Å; W74-F77 HydrophobicContact CE3-CD1 4.2Å; W74-F77 WeakPolarHBondContact O-CB 3.26Å; W74-F77 PolarHBondContact O-N 3.49Å; S75-F77 VanDerWaalsContact C-N 3.34Å; F77-V79 PolarHBondContact O-N 3.25Å; F77-N80 PolarHBondContact O-N 3.18Å; F77-L81 HydrophobicContact CE1-CD2 4.2Å; F77-L81 HydrophobicContact CZ-CD2 3.91Å; F77-L81 WeakPolarHBondContact O-CB 3.17Å; F77-L81 PolarHBondContact O-N 3.25Å
78	G	97.7	Very high	96.8	Very high	20 Å²	20	51.8 Å²	51.8	21%	0.206	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-45.1	-178.5	0	0	0	0	0	113.2	W74 S75 L81 L82	W74-G78 PolarHBondContact O-N 3.36Å; S75-G78 PolarHBondContact O-N 2.89Å; G78-L81 PolarHBondContact O-N 3.11Å; G78-L82 WeakPolarHBondContact O-CB 3.31Å; G78-L82 WeakPolarHBondContact O-CG 3.43Å; G78-L82 PolarHBondContact O-N 3.38Å
79	V	98	Very high	96.8	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-43.4	-179.7	72.1	0	0	0	0	112.4	K29 W30 V33 S75 L76 F77 L81 L82 V83	K29-V79 VanDerWaalsContact C-CG2 3.4Å; K29-V79 HydrophobicContact CB-CB 4.46Å; K29-V79 HydrophobicContact CB-CG1 3.87Å; K29-V79 HydrophobicContact CB-CG2 3.73Å; K29-V79 HydrophobicContact CD-CG1 4.25Å; K29-V79 WeakPolarHBondContact O-CG2 3.37Å; W30-V79 HydrophobicContact CD2-CB 4.41Å; W30-V79 HydrophobicContact CD2-CG2 4.2Å; W30-V79 HydrophobicContact CG-CG2 4.26Å; V33-V79 HydrophobicContact CG2-CG2 3.59Å; S75-V79 PolarHBondContact O-N 3.11Å; L76-V79 HydrophobicContact CD1-CG1 4.14Å; L76-V79 VanDerWaalsContact O-CG1 3.29Å; L76-V79 WeakPolarHBondContact O-CG1 3.19Å; F77-V79 PolarHBondContact O-N 3.25Å; V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L82 PolarHBondContact O-N 2.9Å; V79-V83 WeakPolarHBondContact O-CB 3.31Å; V79-V83 VanDerWaalsContact O-CG2 3.26Å; V79-V83 WeakPolarHBondContact O-CG2 3.32Å; V79-V83 PolarHBondContact O-N 3.38Å
80	N	98.3	Very high	97	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-70.8	-33.9	179.3	-67	-72.1	0	0	0	111.4	K29 G59 W62 S66 L76 F77 G84	K29-N80 PolarHBondContact NZ-OD1 3.09Å; G59-N80 CarbonylContact C-O 3.28Å; G59-N80 VanDerWaalsContact C-O 3.28Å; G59-N80 WeakPolarHBondContact CA-O 3.31Å; G59-N80 CarbonylContact O-C 3.48Å; G59-N80 WeakPolarHBondContact O-CB 3.19Å; W62-N80 HydrophobicContact CB-CB 3.86Å; W62-N80 VanDerWaalsContact CB-OD1 3.27Å; W62-N80 WeakPolarHBondContact CB-OD1 3.38Å; S66-N80 PolarHBondContact OG-ND2 3.39Å; L76-N80 PolarHBondContact O-N 2.73Å; L76-N80 PolarHBondContact O-ND2 3.07Å; F77-N80 PolarHBondContact O-N 3.18Å; N80-G84 PolarHBondContact O-N 2.88Å
81	L	98.5	Very high	97.1	Very high	66 Å²	66	44.8 Å²	44.8	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-48.4	175.5	-175.3	66.3	0	0	0	110.3	S63 F77 G78 V79 G84 T85	S63-L81 VanDerWaalsContact OG-CA 3.27Å; S63-L81 WeakPolarHBondContact OG-CA 3.1Å; S63-L81 PolarHBondContact OG-N 3.24Å; F77-L81 HydrophobicContact CE1-CD2 4.2Å; F77-L81 HydrophobicContact CZ-CD2 3.91Å; F77-L81 WeakPolarHBondContact O-CB 3.17Å; F77-L81 PolarHBondContact O-N 3.25Å; G78-L81 PolarHBondContact O-N 3.11Å; V79-L81 VanDerWaalsContact C-N 3.35Å; L81-G84 PolarHBondContact O-N 2.94Å; L81-T85 PolarHBondContact O-N 3.47Å; L81-T85 PolarHBondContact O-OG1 3.06Å; L81-T85 VanDerWaalsContact O-OG1 3.06Å
82	L	98.2	Very high	97.3	Very high	69 Å²	69	48.8 Å²	48.8	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-64.6	-43.6	178.4	-71.4	172.5	0	0	0	112.6	W30 V33 G78 V79 G84 T85 I86	W30-L82 HydrophobicContact CH2-CD1 3.58Å; W30-L82 HydrophobicContact CZ3-CD1 3.54Å; V33-L82 HydrophobicContact CG1-CB 4.17Å; V33-L82 HydrophobicContact CG1-CD1 4.21Å; V33-L82 HydrophobicContact CG2-CB 3.84Å; G78-L82 WeakPolarHBondContact O-CB 3.31Å; G78-L82 WeakPolarHBondContact O-CG 3.43Å; G78-L82 PolarHBondContact O-N 3.38Å; V79-L82 PolarHBondContact O-N 2.9Å; L82-G84 VanDerWaalsContact C-N 3.26Å; L82-G84 PolarHBondContact O-N 3.29Å; L82-T85 PolarHBondContact O-N 3.36Å; L82-I86 WeakPolarHBondContact O-CB 3.39Å; L82-I86 WeakPolarHBondContact O-CD1 3.44Å; L82-I86 VanDerWaalsContact O-CG1 3.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.31Å; L82-I86 PolarHBondContact O-N 3.19Å
83	V	98.1	Very high	97.4	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-44.2	173.7	168.1	0	0	0	0	110.6	L32 V33 L55 V79 G87	L32-V83 HydrophobicContact CB-CG2 3.82Å; V33-V83 HydrophobicContact CG2-CG2 3.72Å; L55-V83 HydrophobicContact CB-CG1 3.93Å; L55-V83 HydrophobicContact CD2-CG1 3.81Å; L55-V83 HydrophobicContact CG-CG1 4.4Å; V79-V83 WeakPolarHBondContact O-CB 3.31Å; V79-V83 VanDerWaalsContact O-CG2 3.26Å; V79-V83 WeakPolarHBondContact O-CG2 3.32Å; V79-V83 PolarHBondContact O-N 3.38Å; V83-G87 PolarHBondContact O-N 2.89Å
84	G	98.1	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-51.9	177.2	0	0	0	0	0	112.3	N80 L81 L82 I86 G87 I88	N80-G84 PolarHBondContact O-N 2.88Å; L81-G84 PolarHBondContact O-N 2.94Å; L82-G84 VanDerWaalsContact C-N 3.26Å; L82-G84 PolarHBondContact O-N 3.29Å; G84-I86 PolarHBondContact O-N 3.43Å; G84-G87 PolarHBondContact O-N 3.42Å; G84-I88 WeakPolarHBondContact O-CG1 3.18Å; G84-I88 PolarHBondContact O-N 2.92Å
85	T	98.3	Very high	97.3	Very high	68 Å²	68	43.1 Å²	43.1	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-45.3	179	-58.7	0	0	0	0	112.1	L81 L82 G87 I88 V89	L81-T85 PolarHBondContact O-N 3.47Å; L81-T85 PolarHBondContact O-OG1 3.06Å; L81-T85 VanDerWaalsContact O-OG1 3.06Å; L82-T85 PolarHBondContact O-N 3.36Å; T85-G87 PolarHBondContact O-N 3.26Å; T85-I88 PolarHBondContact O-N 2.88Å; T85-V89 WeakPolarHBondContact O-CG2 3.43Å; T85-V89 PolarHBondContact O-N 3.47Å
86	I	97.9	Very high	96.9	Very high	22 Å²	22	52 Å²	52	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-45.5	177.5	-69.1	164.5	0	0	0	110.1	V33 G36 L37 L82 G84 I88 V89 Q90	V33-I86 HydrophobicContact CG1-CD1 3.94Å; G36-I86 WeakPolarHBondContact O-CG2 3.47Å; L37-I86 HydrophobicContact CD2-CD1 3.82Å; L37-I86 HydrophobicContact CD2-CG1 4.29Å; L37-I86 HydrophobicContact CG-CD1 3.87Å; L82-I86 WeakPolarHBondContact O-CB 3.39Å; L82-I86 WeakPolarHBondContact O-CD1 3.44Å; L82-I86 VanDerWaalsContact O-CG1 3.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.31Å; L82-I86 PolarHBondContact O-N 3.19Å; G84-I86 PolarHBondContact O-N 3.43Å; I86-I88 VanDerWaalsContact C-N 3.29Å; I86-I88 PolarHBondContact O-N 3.36Å; I86-V89 PolarHBondContact O-N 2.66Å; I86-V89 VanDerWaalsContact O-N 3.11Å; I86-Q90 HydrophobicContact CG2-CG 4.26Å; I86-Q90 WeakPolarHBondContact O-CG 3.27Å; I86-Q90 PolarHBondContact O-N 3.27Å
87	G	97.6	Very high	96.8	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-55.5	-43.8	176	0	0	0	0	0	112.6	V83 G84 T85 Q90 L91	V83-G87 PolarHBondContact O-N 2.89Å; G84-G87 PolarHBondContact O-N 3.42Å; T85-G87 PolarHBondContact O-N 3.26Å; G87-Q90 PolarHBondContact O-N 3.47Å; G87-L91 WeakPolarHBondContact O-CG 3.22Å; G87-L91 PolarHBondContact O-N 3.44Å
88	I	98.1	Very high	96.8	Very high	71 Å²	71	53.6 Å²	53.6	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-46	175	-65.8	164.9	0	0	0	111.1	A56 L60 G84 T85 I86 Q90 L91 L92	A56-I88 HydrophobicContact CB-CG1 3.82Å; L60-I88 HydrophobicContact CD1-CD1 4.37Å; G84-I88 WeakPolarHBondContact O-CG1 3.18Å; G84-I88 PolarHBondContact O-N 2.92Å; T85-I88 PolarHBondContact O-N 2.88Å; I86-I88 VanDerWaalsContact C-N 3.29Å; I86-I88 PolarHBondContact O-N 3.36Å; I88-Q90 VanDerWaalsContact C-N 3.31Å; I88-Q90 PolarHBondContact O-N 2.97Å; I88-L91 WeakPolarHBondContact O-CB 3.34Å; I88-L91 PolarHBondContact O-N 3.06Å; I88-L92 HydrophobicContact CG2-CD1 4.2Å; I88-L92 HydrophobicContact CG2-CG 4.49Å; I88-L92 WeakPolarHBondContact O-CG 3.26Å; I88-L92 PolarHBondContact O-N 3.34Å
89	V	97.3	Very high	96.8	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-42.5	177.4	169.7	0	0	0	0	111.1	T85 I86 L92 R93	T85-V89 WeakPolarHBondContact O-CG2 3.43Å; T85-V89 PolarHBondContact O-N 3.47Å; I86-V89 PolarHBondContact O-N 2.66Å; I86-V89 VanDerWaalsContact O-N 3.11Å; V89-L92 PolarHBondContact O-N 2.91Å; V89-R93 WeakPolarHBondContact O-CG 3.45Å; V89-R93 PolarHBondContact O-N 2.8Å
90	Q	96.9	Very high	96.7	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.1	-59.3	-48	-11.2	0	0	111.7	G36 S40 L47 I86 G87 I88 L92 R93 I94	G36-Q90 PolarHBondContact O-NE2 2.92Å; S40-Q90 PolarHBondContact OG-NE2 3.28Å; L47-Q90 HydrophobicContact CD1-CB 4.27Å; I86-Q90 HydrophobicContact CG2-CG 4.26Å; I86-Q90 WeakPolarHBondContact O-CG 3.27Å; I86-Q90 PolarHBondContact O-N 3.27Å; G87-Q90 PolarHBondContact O-N 3.47Å; I88-Q90 VanDerWaalsContact C-N 3.31Å; I88-Q90 PolarHBondContact O-N 2.97Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 2.76Å; Q90-R93 WeakPolarHBondContact O-CB 3.43Å; Q90-R93 PolarHBondContact O-N 3.23Å; Q90-R93 VanDerWaalsContact O-N 3.16Å; Q90-I94 VanDerWaalsContact O-CG1 3.25Å; Q90-I94 WeakPolarHBondContact O-CG1 3.35Å; Q90-I94 PolarHBondContact O-N 3.46Å
91	L	97.5	Very high	96.6	Very high	48 Å²	48	61.8 Å²	61.8	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-42.8	174	-70.7	171.7	0	0	0	112.5	V49 S53 A56 G87 I88 R93 I94 A95	V49-L91 HydrophobicContact CG1-CD2 4.04Å; S53-L91 WeakPolarHBondContact OG-CD2 3.42Å; A56-L91 HydrophobicContact CB-CD1 4.3Å; G87-L91 WeakPolarHBondContact O-CG 3.22Å; G87-L91 PolarHBondContact O-N 3.44Å; I88-L91 WeakPolarHBondContact O-CB 3.34Å; I88-L91 PolarHBondContact O-N 3.06Å; L91-R93 VanDerWaalsContact C-N 3.29Å; L91-R93 PolarHBondContact O-N 3.28Å; L91-I94 PolarHBondContact O-N 2.95Å; L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 2.84Å
92	L	96.9	Very high	96.5	Very high	120 Å²	120	61.5 Å²	61.5	63%	0.628	33%	0.327	S	S	*	.	H	α-helix	trans	-63.7	-34.7	175.9	-68.3	173	0	0	0	112.2	I88 V89 Q90 K96	I88-L92 HydrophobicContact CG2-CD1 4.2Å; I88-L92 HydrophobicContact CG2-CG 4.49Å; I88-L92 WeakPolarHBondContact O-CG 3.26Å; I88-L92 PolarHBondContact O-N 3.34Å; V89-L92 PolarHBondContact O-N 2.91Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 2.76Å; L92-K96 PolarHBondContact O-N 3.14Å
93	R	96.1	Very high	96.3	Very high	69 Å²	69	60.9 Å²	60.9	26%	0.26	32%	0.324	S	S	.	.	H	α-helix	trans	-68.8	-36.7	174.4	-72.1	177.1	68.1	-141.9	2.3	112.5	D39 S40 R42 P44 V89 Q90 L91	D39-R93 PolarHBondContact O-NH1 3.03Å; S40-R93 PolarHBondContact O-NH1 2.72Å; S40-R93 PolarHBondContact O-NH2 3.3Å; R42-R93 PolarHBondContact O-NH2 3.04Å; P44-R93 WeakPolarHBondContact CB-O 3.46Å; V89-R93 WeakPolarHBondContact O-CG 3.45Å; V89-R93 PolarHBondContact O-N 2.8Å; Q90-R93 WeakPolarHBondContact O-CB 3.43Å; Q90-R93 PolarHBondContact O-N 3.23Å; Q90-R93 VanDerWaalsContact O-N 3.16Å; L91-R93 VanDerWaalsContact C-N 3.29Å; L91-R93 PolarHBondContact O-N 3.28Å
94	I	95.6	Very high	96.2	Very high	44 Å²	44	64.8 Å²	64.8	23%	0.226	34%	0.344	C	S	.	.	H	α-helix	trans	-71.9	-34.6	177.9	-62.4	160.2	0	0	0	111.2	L47 V49 Q90 L91 K96	L47-I94 HydrophobicContact CB-CD1 3.59Å; L47-I94 HydrophobicContact CB-CG1 3.71Å; L47-I94 HydrophobicContact CD1-CG1 4.15Å; V49-I94 HydrophobicContact CG2-CD1 4.06Å; V49-I94 HydrophobicContact CG2-CG2 3.72Å; Q90-I94 VanDerWaalsContact O-CG1 3.25Å; Q90-I94 WeakPolarHBondContact O-CG1 3.35Å; Q90-I94 PolarHBondContact O-N 3.46Å; L91-I94 PolarHBondContact O-N 2.95Å; I94-K96 VanDerWaalsContact C-N 3.29Å; I94-K96 PolarHBondContact O-N 3.22Å
95	A	94.3	Very high	96	Very high	89 Å²	89	70.2 Å²	70.2	74%	0.736	37%	0.373	S	S	*	.			trans	-77.4	-11.8	-178.2	0	0	0	0	0	114.3	L91	L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 2.84Å
96	K	86.1	Confident	95.8	Very high	239 Å²	239	70.4 Å²	70.4	100%	1.039	37%	0.369	S	S	*	.			trans	-90.4	0	177.4	-178.5	-176.2	176.2	-176.3	0	110.7	L92 I94	L92-K96 PolarHBondContact O-N 3.14Å; I94-K96 VanDerWaalsContact C-N 3.29Å; I94-K96 PolarHBondContact O-N 3.22Å

Retrieved 96 of 96 residues in 29 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).