A0A096LNY4_HUMAN Loading...

Adenylosuccinate lyase

Catalyzes two non-sequential steps in de novo AMP synthesis: converts (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate (SAICAR) to fumarate plus 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide, and thereby also contributes to de novo IMP synthesis, and converts succinyladenosine monophosphate (SAMP) to AMP and fumarate.

AlphaFold DB , UniProt , Accession A0A096LNY4, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 164 aa.

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	38	Very low	57.3	Low	252 Å²	252	104.5 Å²	104.5	100%	1.241	68%	0.675	S	S	*	*				0	113.2	0	-56.5	-157.4	-158.1	0	0	103.9
2	A	32.5	Very low	60.4	Low	90 Å²	90	102.1 Å²	102.1	74%	0.744	66%	0.663	S	S	*	*			cis	-128.8	129.7	45.7	0	0	0	0	0	112.5
3	A	35.5	Very low	63	Low	84 Å²	84	108.4 Å²	108.4	69%	0.694	67%	0.667	S	S	*	*	S	Bend	trans	-101.2	120.4	164.3	0	0	0	0	0	106.9	G5	A3-G5 PolarHBondContact O-N 2.83Å; A3-G5 VanDerWaalsContact O-N 3.13Å
4	G	38.4	Very low	65.1	Low	85 Å²	85	107.9 Å²	107.9	88%	0.876	65%	0.647	S	S	*	*			trans	50.9	42.7	157.5	0	0	0	0	0	117.8
5	G	41	Very low	67.1	Low	43 Å²	43	103.5 Å²	103.5	44%	0.443	62%	0.624	S	S	.	*			trans	-75.8	124.8	169.6	0	0	0	0	0	110.1	A3 H7	A3-G5 PolarHBondContact O-N 2.83Å; A3-G5 VanDerWaalsContact O-N 3.13Å; G5-H7 VanDerWaalsContact C-N 3.34Å; G5-H7 PolarHBondContact O-CD2 3.3Å; G5-H7 PolarHBondContact O-N 2.64Å
6	D	47.3	Very low	68.9	Low	114 Å²	114	100.8 Å²	100.8	61%	0.61	61%	0.609	S	S	*	*			trans	-56	95.9	169.4	175.2	15.6	0	0	0	109.6	G8 S9	D6-G8 PolarHBondContact O-N 3.33Å; D6-G8 WeakPolarHBondContact OD1-CA 3.45Å; D6-G8 PolarHBondContact OD1-N 3.5Å; D6-S9 PolarHBondContact O-N 3.1Å; D6-S9 WeakPolarHBondContact OD2-CB 3.41Å; D6-S9 PolarHBondContact OD2-N 3.05Å
7	H	56.9	Low	70.6	Confident	159 Å²	159	101.5 Å²	101.5	74%	0.736	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-3.2	179.3	-64.3	-64.8	0	0	0	112.8	G5 R14	G5-H7 VanDerWaalsContact C-N 3.34Å; G5-H7 PolarHBondContact O-CD2 3.3Å; G5-H7 PolarHBondContact O-N 2.64Å; H7-R14 WeakPolarHBondContact O-CD 3.4Å
8	G	69.1	Low	71.9	Confident	41 Å²	41	99.6 Å²	99.6	42%	0.423	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	-17	176.9	0	0	0	0	0	115.3	D6 R14	D6-G8 PolarHBondContact O-N 3.33Å; D6-G8 WeakPolarHBondContact OD1-CA 3.45Å; D6-G8 PolarHBondContact OD1-N 3.5Å; G8-R14 PolarHBondContact O-NH1 3.13Å
9	S	87.6	Confident	73	Confident	24 Å²	24	97.9 Å²	97.9	17%	0.168	60%	0.598	C	S	.	*			trans	-65.9	134.7	-171.9	177.2	0	0	0	0	112.8	D6 D11 R14	D6-S9 PolarHBondContact O-N 3.1Å; D6-S9 WeakPolarHBondContact OD2-CB 3.41Å; D6-S9 PolarHBondContact OD2-N 3.05Å; S9-D11 PolarHBondContact O-N 3.38Å; S9-D11 PolarHBondContact OG-N 3.18Å; S9-D11 VanDerWaalsContact OG-N 3.15Å; S9-R14 VanDerWaalsContact O-CD 3.29Å; S9-R14 WeakPolarHBondContact O-CD 3.33Å; S9-R14 PolarHBondContact O-NE 2.8Å
10	P	89.2	Confident	74.1	Confident	100 Å²	100	102.9 Å²	102.9	65%	0.649	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-14.4	173	31.7	-35.8	0	0	0	113.3	S12	P10-S12 VanDerWaalsContact C-N 3.28Å; P10-S12 PolarHBondContact O-N 3.45Å
11	D	94.5	Very high	75.2	Confident	157 Å²	157	105.5 Å²	105.5	84%	0.84	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-8.4	-177.4	-59.3	-22.2	0	0	0	112.8	S9	S9-D11 PolarHBondContact O-N 3.38Å; S9-D11 PolarHBondContact OG-N 3.18Å; S9-D11 VanDerWaalsContact OG-N 3.15Å
12	S	94.7	Very high	78	Confident	76 Å²	76	95.4 Å²	95.4	53%	0.531	56%	0.563	S	S	.	*	S	Bend	trans	-118.9	157.1	177.6	-170.3	0	0	0	0	111.4	P10 R14	P10-S12 VanDerWaalsContact C-N 3.28Å; P10-S12 PolarHBondContact O-N 3.45Å; S12-R14 PolarHBondContact O-N 2.82Å
13	Y	93.8	Very high	81.1	Confident	184 Å²	184	92.5 Å²	92.5	72%	0.722	54%	0.537	S	S	*	.			trans	-59.9	133.2	172.2	167.2	-99.3	0	0	0	110.3
14	R	92.9	Very high	84	Confident	101 Å²	101	93.2 Å²	93.2	38%	0.381	54%	0.535	S	S	.	.			trans	-129.7	136.9	173.8	-65.8	177.8	-65.2	163.4	7.7	108.8	H7 G8 S9 S12	H7-R14 WeakPolarHBondContact O-CD 3.4Å; G8-R14 PolarHBondContact O-NH1 3.13Å; S9-R14 VanDerWaalsContact O-CD 3.29Å; S9-R14 WeakPolarHBondContact O-CD 3.33Å; S9-R14 PolarHBondContact O-NE 2.8Å; S12-R14 PolarHBondContact O-N 2.82Å
15	S	95	Very high	86.9	Confident	43 Å²	43	94.1 Å²	94.1	30%	0.301	52%	0.516	S	S	.	.			trans	-63.3	124.5	174.8	177.9	0	0	0	0	109.4	L17 A18 S19	S15-L17 PolarHBondContact O-N 3.38Å; S15-L17 PolarHBondContact OG-N 2.75Å; S15-A18 PolarHBondContact O-N 2.86Å; S15-S19 PolarHBondContact O-N 3.28Å; S15-S19 PolarHBondContact O-OG 3.46Å
16	P	96.4	Very high	89.6	Confident	60 Å²	60	93.5 Å²	93.5	39%	0.39	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-21	178.3	28.8	-36.1	0	0	0	112	R20 Y21	P16-R20 WeakPolarHBondContact O-CB 3.36Å; P16-R20 PolarHBondContact O-N 2.97Å; P16-Y21 HydrophobicContact CB-CD2 4.05Å; P16-Y21 HydrophobicContact CB-CE2 3.79Å; P16-Y21 HydrophobicContact CG-CE2 4.47Å; P16-Y21 VanDerWaalsContact O-CD2 3.23Å; P16-Y21 WeakPolarHBondContact O-CD2 3.37Å; P16-Y21 PolarHBondContact O-N 3.15Å; P16-Y21 VanDerWaalsContact O-N 3.13Å
17	L	96.9	Very high	92	Very high	113 Å²	113	90 Å²	90	59%	0.592	49%	0.486	S	S	*	.	I	π-helix	trans	-58	-49.9	169.8	-64.3	174.3	0	0	0	110.3	S15 Y21 A22	S15-L17 PolarHBondContact O-N 3.38Å; S15-L17 PolarHBondContact OG-N 2.75Å; L17-Y21 PolarHBondContact O-N 3.37Å; L17-A22 WeakPolarHBondContact O-CB 3.32Å; L17-A22 PolarHBondContact O-N 2.97Å
18	A	94.6	Very high	94	Very high	67 Å²	67	87.1 Å²	87.1	55%	0.554	47%	0.472	S	S	*	.	I	π-helix	trans	-75.6	-38.8	-179	0	0	0	0	0	113	S15	S15-A18 PolarHBondContact O-N 2.86Å
19	S	92.9	Very high	95.4	Very high	67 Å²	67	85.7 Å²	85.7	47%	0.469	46%	0.455	S	S	.	.	I	π-helix	trans	-87.9	-12.9	-171.2	72.5	0	0	0	0	114.9	S15	S15-S19 PolarHBondContact O-N 3.28Å; S15-S19 PolarHBondContact O-OG 3.46Å
20	R	94.4	Very high	95.9	Very high	198 Å²	198	90.3 Å²	90.3	75%	0.747	47%	0.472	S	S	*	.	I	π-helix	trans	-143.7	-41.5	-172	-174.6	174	179.2	153.9	0.5	115.1	P16	P16-R20 WeakPolarHBondContact O-CB 3.36Å; P16-R20 PolarHBondContact O-N 2.97Å
21	Y	97.1	Very high	96.3	Very high	157 Å²	157	87 Å²	87	62%	0.616	45%	0.451	S	S	*	.	I	π-helix	trans	-102.8	-45.5	-163.3	-61.5	-56.9	0	0	0	115.1	P16 L17	P16-Y21 HydrophobicContact CB-CD2 4.05Å; P16-Y21 HydrophobicContact CB-CE2 3.79Å; P16-Y21 HydrophobicContact CG-CE2 4.47Å; P16-Y21 VanDerWaalsContact O-CD2 3.23Å; P16-Y21 WeakPolarHBondContact O-CD2 3.37Å; P16-Y21 PolarHBondContact O-N 3.15Å; P16-Y21 VanDerWaalsContact O-N 3.13Å; L17-Y21 PolarHBondContact O-N 3.37Å
22	A	97.1	Very high	96.5	Very high	40 Å²	40	83.6 Å²	83.6	33%	0.331	43%	0.433	S	S	.	.	S	Bend	trans	-77.9	150.1	-175.1	0	0	0	0	0	111.2	L17	L17-A22 WeakPolarHBondContact O-CB 3.32Å; L17-A22 PolarHBondContact O-N 2.97Å
23	S	97.5	Very high	96.7	Very high	29 Å²	29	84.9 Å²	84.9	20%	0.203	43%	0.426	C	S	.	.			trans	-72.2	150.9	177.1	80.6	0	0	0	0	111	E25 M26 C27 K134	S23-E25 WeakPolarHBondContact CB-OE2 3.42Å; S23-E25 PolarHBondContact O-N 3.28Å; S23-E25 VanDerWaalsContact O-N 3.15Å; S23-E25 PolarHBondContact OG-OE2 3.46Å; S23-M26 PolarHBondContact O-N 3.04Å; S23-M26 VanDerWaalsContact O-N 3.07Å; S23-C27 PolarHBondContact O-N 3.36Å; S23-K134 PolarHBondContact OG-NZ 3.13Å; S23-K134 VanDerWaalsContact OG-NZ 3.09Å
24	P	97.3	Very high	96.9	Very high	100 Å²	100	77.2 Å²	77.2	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-54.3	-34.7	-179.6	-27.5	35.9	0	0	0	113.8	C27 F28	P24-C27 PolarHBondContact O-N 2.95Å; P24-F28 WeakPolarHBondContact O-CB 3.18Å; P24-F28 PolarHBondContact O-N 3.48Å
25	E	97.9	Very high	97.2	Very high	103 Å²	103	74.9 Å²	74.9	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-66.6	-42.3	179.5	-50	73.4	-156.9	0	0	111.3	S23 F28 V29 L130	S23-E25 WeakPolarHBondContact CB-OE2 3.42Å; S23-E25 PolarHBondContact O-N 3.28Å; S23-E25 VanDerWaalsContact O-N 3.15Å; S23-E25 PolarHBondContact OG-OE2 3.46Å; E25-F28 PolarHBondContact O-N 3.46Å; E25-V29 WeakPolarHBondContact O-CG2 3.37Å; E25-V29 PolarHBondContact O-N 2.88Å; E25-V29 VanDerWaalsContact O-N 3.08Å; E25-L130 HydrophobicContact CB-CD1 4.07Å; E25-L130 HydrophobicContact CB-CD2 4.15Å
26	M	98.3	Very high	97.4	Very high	30 Å²	30	73.6 Å²	73.6	15%	0.148	38%	0.378	C	S	.	.	H	α-helix	trans	-67.2	-44	176.3	-173	62	76.3	0	0	110.7	S23 F28 V29 F30 A127 L130 L131	S23-M26 PolarHBondContact O-N 3.04Å; S23-M26 VanDerWaalsContact O-N 3.07Å; M26-F28 VanDerWaalsContact C-N 3.26Å; M26-F28 PolarHBondContact O-N 3.36Å; M26-V29 PolarHBondContact O-N 3.05Å; M26-F30 HydrophobicContact CG-CD2 4.38Å; M26-F30 HydrophobicContact CG-CE2 4.46Å; M26-F30 WeakPolarHBondContact O-CD2 3.45Å; M26-F30 PolarHBondContact O-N 2.99Å; M26-F30 HydrophobicContact SD-CD2 3.99Å; M26-F30 HydrophobicContact SD-CE2 3.61Å; M26-A127 HydrophobicContact CE-CB 4.2Å; M26-A127 HydrophobicContact SD-CB 3.87Å; M26-L130 HydrophobicContact CB-CD1 4.38Å; M26-L130 HydrophobicContact CE-CB 3.85Å; M26-L130 HydrophobicContact CE-CD1 4.12Å; M26-L130 HydrophobicContact SD-CD1 4.25Å; M26-L131 HydrophobicContact CE-CD1 4.44Å; M26-L131 HydrophobicContact CE-CD2 3.95Å; M26-L131 HydrophobicContact CE-CG 3.84Å
27	C	97.9	Very high	97.5	Very high	42 Å²	42	74.5 Å²	74.5	28%	0.284	37%	0.373	S	S	.	.	H	α-helix	trans	-58.5	-38.7	174.3	-68.7	0	0	0	0	112.1	S23 P24 F30 S31	S23-C27 PolarHBondContact O-N 3.36Å; P24-C27 PolarHBondContact O-N 2.95Å; C27-F30 PolarHBondContact O-N 3.44Å; C27-S31 PolarHBondContact O-N 3.4Å
28	F	98.3	Very high	97.6	Very high	97 Å²	97	69.5 Å²	69.5	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-43.4	178	179.1	-110	0	0	0	112.4	P24 E25 M26 F30 S31 R33 Y34	P24-F28 WeakPolarHBondContact O-CB 3.18Å; P24-F28 PolarHBondContact O-N 3.48Å; E25-F28 PolarHBondContact O-N 3.46Å; M26-F28 VanDerWaalsContact C-N 3.26Å; M26-F28 PolarHBondContact O-N 3.36Å; F28-F30 PolarHBondContact O-N 2.86Å; F28-S31 VanDerWaalsContact O-CB 3.25Å; F28-S31 WeakPolarHBondContact O-CB 3.19Å; F28-S31 PolarHBondContact O-N 2.95Å; F28-S31 PolarHBondContact O-OG 3.37Å; F28-R33 HydrophobicContact CE2-CG 4.44Å; F28-Y34 HydrophobicContact CD1-CD2 4.02Å; F28-Y34 AromaticContact CE1-CD2 3.5Å; F28-Y34 HydrophobicContact CE1-CD2 3.5Å; F28-Y34 VanDerWaalsContact CE1-CD2 3.5Å; F28-Y34 HydrophobicContact CE1-CE2 4.14Å; F28-Y34 HydrophobicContact CE1-CG 4.47Å; F28-Y34 AromaticContact CZ-CD2 3.94Å; F28-Y34 HydrophobicContact CZ-CD2 3.94Å; F28-Y34 WeakPolarHBondContact O-CB 3.48Å
29	V	98.5	Very high	97.8	Very high	12 Å²	12	66.5 Å²	66.5	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-56.7	-36.3	177.4	166.5	0	0	0	0	111.8	E25 M26 Y34 I123 N126 L130	E25-V29 WeakPolarHBondContact O-CG2 3.37Å; E25-V29 PolarHBondContact O-N 2.88Å; E25-V29 VanDerWaalsContact O-N 3.08Å; M26-V29 PolarHBondContact O-N 3.05Å; V29-Y34 WeakPolarHBondContact O-CD1 3.49Å; V29-I123 HydrophobicContact CG1-CB 4.41Å; V29-I123 HydrophobicContact CG1-CG2 3.94Å; V29-N126 HydrophobicContact CG1-CB 4.32Å; V29-N126 HydrophobicContact CG2-CB 4.4Å; V29-L130 HydrophobicContact CG2-CD1 3.93Å
30	F	98.5	Very high	98	Very high	121 Å²	121	63.4 Å²	63.4	53%	0.531	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	11.7	176.5	-72.2	-80.2	0	0	0	114.5	M26 C27 F28 I123 A127	M26-F30 HydrophobicContact CG-CD2 4.38Å; M26-F30 HydrophobicContact CG-CE2 4.46Å; M26-F30 WeakPolarHBondContact O-CD2 3.45Å; M26-F30 PolarHBondContact O-N 2.99Å; M26-F30 HydrophobicContact SD-CD2 3.99Å; M26-F30 HydrophobicContact SD-CE2 3.61Å; C27-F30 PolarHBondContact O-N 3.44Å; F28-F30 PolarHBondContact O-N 2.86Å; F30-I123 HydrophobicContact CD1-CG2 3.63Å; F30-I123 HydrophobicContact CE1-CG2 3.33Å; F30-I123 HydrophobicContact CE2-CG2 4.41Å; F30-I123 HydrophobicContact CG-CG2 4.3Å; F30-I123 HydrophobicContact CZ-CG2 3.77Å; F30-A127 HydrophobicContact CE2-CB 3.88Å; F30-A127 HydrophobicContact CZ-CB 4.07Å
31	S	98.3	Very high	98.3	Very high	30 Å²	30	56.4 Å²	56.4	21%	0.21	28%	0.276	C	S	.	.	S	Bend	trans	-81.8	152.2	180	72.3	0	0	0	0	112.6	C27 F28 R33 Y34 K35	C27-S31 PolarHBondContact O-N 3.4Å; F28-S31 VanDerWaalsContact O-CB 3.25Å; F28-S31 WeakPolarHBondContact O-CB 3.19Å; F28-S31 PolarHBondContact O-N 2.95Å; F28-S31 PolarHBondContact O-OG 3.37Å; S31-R33 PolarHBondContact O-N 3.29Å; S31-Y34 PolarHBondContact O-N 2.88Å; S31-Y34 WeakPolarHBondContact OG-CB 3.4Å; S31-Y34 PolarHBondContact OG-N 3.25Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; S31-K35 PolarHBondContact O-N 3.36Å
32	D	98.3	Very high	98.3	Very high	85 Å²	85	49.4 Å²	49.4	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-58.1	-37	172.6	-72.7	-32.2	0	0	0	112.2	Y34 K35 F36 F74	D32-Y34 VanDerWaalsContact C-N 3.32Å; D32-Y34 PolarHBondContact O-N 2.85Å; D32-K35 PolarHBondContact O-N 3.13Å; D32-F36 HydrophobicContact CB-CD2 4.01Å; D32-F36 HydrophobicContact CB-CE2 3.84Å; D32-F36 WeakPolarHBondContact O-CD2 3.39Å; D32-F36 PolarHBondContact O-N 3.3Å; D32-F74 HydrophobicContact CB-CE1 4.11Å
33	R	98.3	Very high	98.4	Very high	103 Å²	103	47.6 Å²	47.6	39%	0.389	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-45.9	174.2	176.2	163.4	-73.4	-80.4	-0.5	111.4	F28 S31 R37 E70 F74	F28-R33 HydrophobicContact CE2-CG 4.44Å; S31-R33 PolarHBondContact O-N 3.29Å; R33-R37 WeakPolarHBondContact O-CB 3.26Å; R33-R37 VanDerWaalsContact O-CG 3.23Å; R33-R37 WeakPolarHBondContact O-CG 3.37Å; R33-R37 PolarHBondContact O-N 2.85Å; R33-R37 VanDerWaalsContact O-N 3.13Å; R33-E70 PolarHBondContact NH1-O 3.37Å; R33-E70 IonicContact NH1-OE2 3.97Å; R33-F74 HydrophobicContact CB-CZ 4.32Å
34	Y	98.6	Very high	98.5	Very high	23 Å²	23	46.4 Å²	46.4	9%	0.09	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-42.3	177.9	-168.4	-91.8	0	0	0	112.4	F28 V29 S31 D32 R37 T38 I123 N126	F28-Y34 HydrophobicContact CD1-CD2 4.02Å; F28-Y34 AromaticContact CE1-CD2 3.5Å; F28-Y34 HydrophobicContact CE1-CD2 3.5Å; F28-Y34 VanDerWaalsContact CE1-CD2 3.5Å; F28-Y34 HydrophobicContact CE1-CE2 4.14Å; F28-Y34 HydrophobicContact CE1-CG 4.47Å; F28-Y34 AromaticContact CZ-CD2 3.94Å; F28-Y34 HydrophobicContact CZ-CD2 3.94Å; F28-Y34 WeakPolarHBondContact O-CB 3.48Å; V29-Y34 WeakPolarHBondContact O-CD1 3.49Å; S31-Y34 PolarHBondContact O-N 2.88Å; S31-Y34 WeakPolarHBondContact OG-CB 3.4Å; S31-Y34 PolarHBondContact OG-N 3.25Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; D32-Y34 VanDerWaalsContact C-N 3.32Å; D32-Y34 PolarHBondContact O-N 2.85Å; Y34-R37 VanDerWaalsContact O-CG 3.24Å; Y34-R37 WeakPolarHBondContact O-CG 3.31Å; Y34-T38 VanDerWaalsContact O-CB 3.3Å; Y34-T38 WeakPolarHBondContact O-CB 3.48Å; Y34-T38 PolarHBondContact O-N 3.26Å; Y34-T38 PolarHBondContact O-OG1 2.86Å; Y34-I123 HydrophobicContact CD1-CG1 3.98Å; Y34-I123 HydrophobicContact CE1-CG1 4.01Å; Y34-N126 PolarHBondContact OH-ND2 3.14Å
35	K	98.8	Very high	98.6	Very high	52 Å²	52	47.7 Å²	47.7	23%	0.226	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-56.8	175.8	177.3	-177.6	172.4	-176.5	0	111.5	S31 D32 T38 W39 T119	S31-K35 PolarHBondContact O-N 3.36Å; D32-K35 PolarHBondContact O-N 3.13Å; K35-T38 WeakPolarHBondContact O-CA 3.47Å; K35-T38 WeakPolarHBondContact O-CB 3.4Å; K35-T38 PolarHBondContact O-N 3.48Å; K35-T38 VanDerWaalsContact O-N 3.07Å; K35-W39 VanDerWaalsContact O-CD1 3.23Å; K35-W39 PolarHBondContact O-N 2.94Å; K35-T119 HydrophobicContact CG-CG2 4.2Å
36	F	98.8	Very high	98.6	Very high	17 Å²	17	44 Å²	44	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-77.1	-27	-170.5	-62.7	-58.4	0	0	0	114	D32 T38 W39 R40 I72 F74 H91	D32-F36 HydrophobicContact CB-CD2 4.01Å; D32-F36 HydrophobicContact CB-CE2 3.84Å; D32-F36 WeakPolarHBondContact O-CD2 3.39Å; D32-F36 PolarHBondContact O-N 3.3Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-W39 AromaticContact CD1-CD2 3.95Å; F36-W39 HydrophobicContact CD1-CD2 3.95Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CG 4.49Å; F36-W39 AromaticContact CD1-CZ3 3.94Å; F36-W39 HydrophobicContact CD1-CZ3 3.94Å; F36-W39 HydrophobicContact CE1-CD2 4.37Å; F36-W39 AromaticContact CE1-CE3 3.93Å; F36-W39 HydrophobicContact CE1-CE3 3.93Å; F36-W39 HydrophobicContact CE1-CH2 4Å; F36-W39 HydrophobicContact CE1-CZ2 4.45Å; F36-W39 AromaticContact CE1-CZ3 3.69Å; F36-W39 HydrophobicContact CE1-CZ3 3.69Å; F36-W39 PolarHBondContact O-N 3.38Å; F36-R40 PolarHBondContact O-N 3.23Å; F36-I72 HydrophobicContact CB-CD1 3.89Å; F36-F74 HydrophobicContact CD2-CD1 4.44Å; F36-F74 AromaticContact CD2-CE1 3.73Å; F36-F74 HydrophobicContact CD2-CE1 3.73Å; F36-F74 HydrophobicContact CE2-CE1 4.29Å; F36-H91 AromaticContact CD1-CD2 3.79Å; F36-H91 AromaticContact CD1-CE1 3.25Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.23Å; F36-H91 AromaticContact CD1-CG 3.78Å; F36-H91 AromaticContact CD1-ND1 3.45Å; F36-H91 WeakPolarHBondContact CD1-ND1 3.48Å; F36-H91 AromaticContact CD1-NE2 3.48Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.17Å; F36-H91 AromaticContact CD2-CE1 3.56Å; F36-H91 AromaticContact CD2-NE2 3.94Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 AromaticContact CE1-CE1 3.53Å; F36-H91 AromaticContact CE1-CG 3.97Å; F36-H91 AromaticContact CE1-ND1 3.98Å; F36-H91 AromaticContact CE1-NE2 3.21Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.08Å; F36-H91 AromaticContact CE2-CE1 3.82Å; F36-H91 AromaticContact CE2-NE2 3.71Å; F36-H91 AromaticContact CG-CE1 3.27Å; F36-H91 WeakPolarHBondContact CG-CE1 3.39Å; F36-H91 AromaticContact CG-ND1 3.7Å; F36-H91 AromaticContact CG-NE2 3.84Å; F36-H91 AromaticContact CZ-CE1 3.79Å; F36-H91 AromaticContact CZ-NE2 3.32Å; F36-H91 VanDerWaalsContact CZ-NE2 3.32Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.38Å
37	R	98.6	Very high	98.6	Very high	78 Å²	78	42.6 Å²	42.6	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-34.6	166.9	75	172.2	-138	137.1	7.6	111	R33 Y34 R40 Q41 E70 I72	R33-R37 WeakPolarHBondContact O-CB 3.26Å; R33-R37 VanDerWaalsContact O-CG 3.23Å; R33-R37 WeakPolarHBondContact O-CG 3.37Å; R33-R37 PolarHBondContact O-N 2.85Å; R33-R37 VanDerWaalsContact O-N 3.13Å; Y34-R37 VanDerWaalsContact O-CG 3.24Å; Y34-R37 WeakPolarHBondContact O-CG 3.31Å; R37-R40 PolarHBondContact O-N 3.25Å; R37-Q41 PolarHBondContact O-N 3.44Å; R37-E70 WeakPolarHBondContact CD-OE1 3.21Å; R37-E70 IonicContact CZ-OE1 3.75Å; R37-E70 IonicContact NE-OE1 3.96Å; R37-E70 IonicContact NH1-OE1 2.84Å; R37-E70 PolarHBondContact NH1-OE1 3.17Å; R37-I72 HydrophobicContact CB-CD1 4.11Å
38	T	98.9	Very high	98.7	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-71.6	-36.2	179.8	-57.1	0	0	0	0	110.3	Y34 K35 F36 R40 Q41 L42 T119 I122	Y34-T38 VanDerWaalsContact O-CB 3.3Å; Y34-T38 WeakPolarHBondContact O-CB 3.48Å; Y34-T38 PolarHBondContact O-N 3.26Å; Y34-T38 PolarHBondContact O-OG1 2.86Å; K35-T38 WeakPolarHBondContact O-CA 3.47Å; K35-T38 WeakPolarHBondContact O-CB 3.4Å; K35-T38 PolarHBondContact O-N 3.48Å; K35-T38 VanDerWaalsContact O-N 3.07Å; F36-T38 VanDerWaalsContact C-N 3.26Å; T38-R40 VanDerWaalsContact C-N 3.35Å; T38-R40 PolarHBondContact O-N 3.47Å; T38-Q41 WeakPolarHBondContact O-CB 3.31Å; T38-Q41 PolarHBondContact O-N 3.08Å; T38-L42 HydrophobicContact CG2-CD1 4.4Å; T38-L42 WeakPolarHBondContact O-CG 3.44Å; T38-L42 PolarHBondContact O-N 2.97Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; T38-I122 HydrophobicContact CG2-CD1 3.87Å; T38-I122 HydrophobicContact CG2-CG2 4.38Å
39	W	98.9	Very high	98.7	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-46.9	169.8	-73.1	18.3	0	0	0	111.8	K35 F36 Q41 L42 W43 D87 V88 H91 V115 T119	K35-W39 VanDerWaalsContact O-CD1 3.23Å; K35-W39 PolarHBondContact O-N 2.94Å; F36-W39 AromaticContact CD1-CD2 3.95Å; F36-W39 HydrophobicContact CD1-CD2 3.95Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CG 4.49Å; F36-W39 AromaticContact CD1-CZ3 3.94Å; F36-W39 HydrophobicContact CD1-CZ3 3.94Å; F36-W39 HydrophobicContact CE1-CD2 4.37Å; F36-W39 AromaticContact CE1-CE3 3.93Å; F36-W39 HydrophobicContact CE1-CE3 3.93Å; F36-W39 HydrophobicContact CE1-CH2 4Å; F36-W39 HydrophobicContact CE1-CZ2 4.45Å; F36-W39 AromaticContact CE1-CZ3 3.69Å; F36-W39 HydrophobicContact CE1-CZ3 3.69Å; F36-W39 PolarHBondContact O-N 3.38Å; W39-Q41 VanDerWaalsContact C-N 3.33Å; W39-Q41 PolarHBondContact O-N 3.01Å; W39-L42 PolarHBondContact O-N 2.89Å; W39-W43 HydrophobicContact CB-CE3 4.35Å; W39-W43 HydrophobicContact CB-CH2 4.25Å; W39-W43 HydrophobicContact CB-CZ3 3.98Å; W39-W43 AromaticContact CE3-CH2 4Å; W39-W43 HydrophobicContact CE3-CH2 4Å; W39-W43 PolarHBondContact O-N 3.18Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.48Å; W39-V88 HydrophobicContact CH2-CB 4.42Å; W39-V88 HydrophobicContact CH2-CG2 3.51Å; W39-V88 HydrophobicContact CZ2-CG2 4.23Å; W39-V88 HydrophobicContact CZ3-CB 4.23Å; W39-V88 HydrophobicContact CZ3-CG2 3.77Å; W39-H91 HydrophobicContact CE3-CB 4.03Å; W39-H91 HydrophobicContact CZ3-CB 4.15Å; W39-V115 HydrophobicContact CB-CB 4.2Å; W39-V115 HydrophobicContact CB-CG1 4.39Å; W39-V115 HydrophobicContact CD2-CB 3.97Å; W39-V115 HydrophobicContact CD2-CG2 3.79Å; W39-V115 HydrophobicContact CE3-CG2 4.07Å; W39-V115 HydrophobicContact CG-CB 3.79Å; W39-V115 HydrophobicContact CG-CG1 4.49Å; W39-V115 HydrophobicContact CG-CG2 4.16Å; W39-V115 HydrophobicContact CZ2-CG2 4.27Å; W39-V115 HydrophobicContact CZ3-CG2 4.47Å; W39-V115 PolarHBondContact NE1-O 2.84Å; W39-V115 VanDerWaalsContact NE1-O 3.14Å; W39-T119 PolarHBondContact NE1-OG1 3.04Å
40	R	98.9	Very high	98.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-38	175.9	-67.5	-177.4	176.6	-160.7	2.5	112.7	F36 R37 T38 W43 L44 N68 L69 N71 F95	F36-R40 PolarHBondContact O-N 3.23Å; R37-R40 PolarHBondContact O-N 3.25Å; T38-R40 VanDerWaalsContact C-N 3.35Å; T38-R40 PolarHBondContact O-N 3.47Å; R40-W43 HydrophobicContact CG-CE3 4.22Å; R40-W43 HydrophobicContact CG-CZ3 4.35Å; R40-W43 PolarHBondContact O-N 3.16Å; R40-L44 WeakPolarHBondContact O-CB 3.46Å; R40-L44 PolarHBondContact O-N 3.24Å; R40-N68 PolarHBondContact NH1-O 3.25Å; R40-L69 HydrophobicContact CB-CD2 3.71Å; R40-L69 WeakPolarHBondContact CD-O 3.36Å; R40-L69 WeakPolarHBondContact O-CD2 3.43Å; R40-N71 VanDerWaalsContact NH1-C 3.29Å; R40-N71 PolarHBondContact NH1-O 3.02Å; R40-N71 PolarHBondContact NH2-O 3.19Å; R40-F95 HydrophobicContact CB-CD1 4.46Å; R40-F95 HydrophobicContact CB-CE1 3.97Å; R40-F95 HydrophobicContact CB-CE2 4.46Å; R40-F95 HydrophobicContact CB-CZ 3.97Å; R40-F95 HydrophobicContact CG-CD1 3.86Å; R40-F95 HydrophobicContact CG-CD2 4.09Å; R40-F95 HydrophobicContact CG-CE1 3.86Å; R40-F95 HydrophobicContact CG-CE2 4.08Å; R40-F95 HydrophobicContact CG-CG 3.98Å; R40-F95 HydrophobicContact CG-CZ 3.96Å; R40-F95 VanDerWaalsContact CZ-CD2 3.4Å
41	Q	98.9	Very high	98.7	Very high	52 Å²	52	38.6 Å²	38.6	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-41.5	174.5	-176.7	60	76.5	0	0	112	R37 T38 W39 L44 W45	R37-Q41 PolarHBondContact O-N 3.44Å; T38-Q41 WeakPolarHBondContact O-CB 3.31Å; T38-Q41 PolarHBondContact O-N 3.08Å; W39-Q41 VanDerWaalsContact C-N 3.33Å; W39-Q41 PolarHBondContact O-N 3.01Å; Q41-L44 WeakPolarHBondContact O-CB 3.47Å; Q41-L44 PolarHBondContact O-N 3.34Å; Q41-W45 HydrophobicContact CG-CD2 4.16Å; Q41-W45 HydrophobicContact CG-CE3 4.4Å; Q41-W45 HydrophobicContact CG-CH2 3.87Å; Q41-W45 HydrophobicContact CG-CZ2 3.61Å; Q41-W45 HydrophobicContact CG-CZ3 4.26Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.32Å; Q41-W45 PolarHBondContact O-N 3.29Å
42	L	98.9	Very high	98.7	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-46.4	175.2	-72.9	165.5	0	0	0	110.8	T38 W39 L44 W45 L46 Y114 V115 N118 T119 I122	T38-L42 HydrophobicContact CG2-CD1 4.4Å; T38-L42 WeakPolarHBondContact O-CG 3.44Å; T38-L42 PolarHBondContact O-N 2.97Å; W39-L42 PolarHBondContact O-N 2.89Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.37Å; L42-W45 HydrophobicContact CD2-CE3 3.88Å; L42-W45 HydrophobicContact CD2-CZ3 4.02Å; L42-W45 PolarHBondContact O-N 3.04Å; L42-W45 VanDerWaalsContact O-N 3.17Å; L42-L46 PolarHBondContact O-N 3.18Å; L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 PolarHBondContact O-OH 3.24Å; L42-V115 HydrophobicContact CB-CG1 4.26Å; L42-N118 HydrophobicContact CD1-CB 3.93Å; L42-N118 HydrophobicContact CD2-CB 4.07Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.49Å; L42-I122 HydrophobicContact CD2-CD1 4.37Å
43	W	98.9	Very high	98.8	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-36.2	174.6	-73	-46	0	0	0	113.1	W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115	W39-W43 HydrophobicContact CB-CE3 4.35Å; W39-W43 HydrophobicContact CB-CH2 4.25Å; W39-W43 HydrophobicContact CB-CZ3 3.98Å; W39-W43 AromaticContact CE3-CH2 4Å; W39-W43 HydrophobicContact CE3-CH2 4Å; W39-W43 PolarHBondContact O-N 3.18Å; R40-W43 HydrophobicContact CG-CE3 4.22Å; R40-W43 HydrophobicContact CG-CZ3 4.35Å; R40-W43 PolarHBondContact O-N 3.16Å; W43-L46 WeakPolarHBondContact O-CB 3.44Å; W43-L46 PolarHBondContact O-N 2.85Å; W43-A47 PolarHBondContact O-N 2.92Å; W43-M65 VanDerWaalsContact C-CE 3.48Å; W43-M65 HydrophobicContact CB-CE 3.87Å; W43-M65 WeakPolarHBondContact O-CE 3.27Å; W43-V88 HydrophobicContact CZ2-CG1 4.07Å; W43-H91 HydrophobicContact CH2-CB 3.97Å; W43-H91 HydrophobicContact CZ3-CB 4.37Å; W43-V92 HydrophobicContact CH2-CG2 3.87Å; W43-V92 HydrophobicContact CZ2-CG2 3.44Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.44Å; W43-F95 AromaticContact CE3-CD1 3.83Å; W43-F95 HydrophobicContact CE3-CD1 3.83Å; W43-F95 HydrophobicContact CE3-CE1 4.35Å; W43-F95 HydrophobicContact CZ3-CD1 4.4Å; W43-I106 HydrophobicContact CD2-CG2 4.01Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4.11Å; W43-H107 AromaticContact CD1-ND1 3.85Å; W43-H107 AromaticContact NE1-CE1 3.97Å; W43-H107 AromaticContact NE1-CG 3.48Å; W43-H107 AromaticContact NE1-ND1 3.04Å; W43-H107 PolarHBondContact NE1-ND1 3.19Å; W43-V115 HydrophobicContact CD2-CG1 4.08Å; W43-V115 HydrophobicContact CG-CG1 4.32Å; W43-V115 HydrophobicContact CZ2-CG1 3.88Å; W43-V115 HydrophobicContact CZ2-CG2 4.07Å
44	L	98.9	Very high	98.8	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-48.9	173	175.4	62.9	0	0	0	111.2	R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69	R40-L44 WeakPolarHBondContact O-CB 3.46Å; R40-L44 PolarHBondContact O-N 3.24Å; Q41-L44 WeakPolarHBondContact O-CB 3.47Å; Q41-L44 PolarHBondContact O-N 3.34Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.37Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 2.83Å; L44-A47 PolarHBondContact O-N 2.95Å; L44-E48 HydrophobicContact CD1-CG 4.19Å; L44-E48 HydrophobicContact CG-CG 4.48Å; L44-E48 WeakPolarHBondContact O-CG 3.34Å; L44-E48 PolarHBondContact O-N 3.37Å; L44-I62 HydrophobicContact CD1-CG2 3.71Å; L44-M65 HydrophobicContact CD1-CB 4.12Å; L44-K66 HydrophobicContact CD1-CB 4.28Å; L44-K66 HydrophobicContact CD2-CB 3.93Å; L44-K66 HydrophobicContact CD2-CG 4.07Å; L44-L69 HydrophobicContact CB-CD2 4.29Å; L44-L69 HydrophobicContact CD2-CD1 3.97Å; L44-L69 HydrophobicContact CD2-CD2 4.2Å; L44-L69 HydrophobicContact CD2-CG 4.49Å
45	W	98.9	Very high	98.8	Very high	126 Å²	126	46.3 Å²	46.3	48%	0.477	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-36	177	-69.2	-26.1	0	0	0	112.8	Q41 L42 A49 I122	Q41-W45 HydrophobicContact CG-CD2 4.16Å; Q41-W45 HydrophobicContact CG-CE3 4.4Å; Q41-W45 HydrophobicContact CG-CH2 3.87Å; Q41-W45 HydrophobicContact CG-CZ2 3.61Å; Q41-W45 HydrophobicContact CG-CZ3 4.26Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.32Å; Q41-W45 PolarHBondContact O-N 3.29Å; L42-W45 HydrophobicContact CD2-CE3 3.88Å; L42-W45 HydrophobicContact CD2-CZ3 4.02Å; L42-W45 PolarHBondContact O-N 3.04Å; L42-W45 VanDerWaalsContact O-N 3.17Å; W45-A49 VanDerWaalsContact O-CB 3.3Å; W45-A49 WeakPolarHBondContact O-CB 3.36Å; W45-A49 PolarHBondContact O-N 3.37Å; W45-I122 HydrophobicContact CZ3-CD1 4.46Å
46	L	98.9	Very high	98.7	Very high	26 Å²	26	49.5 Å²	49.5	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-52.9	173	-176.1	60.9	0	0	0	110.4	L42 W43 L44 E48 A49 E50 A110 Y114	L42-L46 PolarHBondContact O-N 3.18Å; W43-L46 WeakPolarHBondContact O-CB 3.44Å; W43-L46 PolarHBondContact O-N 2.85Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 2.83Å; L46-E48 PolarHBondContact O-N 2.68Å; L46-A49 PolarHBondContact O-N 2.7Å; L46-E50 HydrophobicContact CD1-CG 4.17Å; L46-E50 HydrophobicContact CG-CG 4.37Å; L46-E50 WeakPolarHBondContact O-CB 3.49Å; L46-E50 VanDerWaalsContact O-CG 3.29Å; L46-E50 WeakPolarHBondContact O-CG 3.39Å; L46-E50 PolarHBondContact O-N 3.3Å; L46-A110 HydrophobicContact CD2-CB 3.9Å; L46-Y114 HydrophobicContact CB-CE1 3.95Å; L46-Y114 WeakPolarHBondContact CB-OH 3.4Å; L46-Y114 HydrophobicContact CD2-CD1 4.26Å; L46-Y114 HydrophobicContact CD2-CE1 3.93Å; L46-Y114 HydrophobicContact CG-CE1 4.41Å
47	A	98.8	Very high	98.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-40.7	-179.2	0	0	0	0	0	112.5	W43 L44 Q51 I57 I62 M65 I105	W43-A47 PolarHBondContact O-N 2.92Å; L44-A47 PolarHBondContact O-N 2.95Å; A47-Q51 VanDerWaalsContact O-CB 3.3Å; A47-Q51 WeakPolarHBondContact O-CB 3.19Å; A47-Q51 PolarHBondContact O-N 2.95Å; A47-I57 HydrophobicContact CB-CD1 4.38Å; A47-I57 HydrophobicContact CB-CG2 4.45Å; A47-I62 HydrophobicContact CB-CG1 4.38Å; A47-M65 HydrophobicContact CB-CE 4.21Å; A47-M65 HydrophobicContact CB-SD 4.04Å; A47-I105 HydrophobicContact CB-CD1 4.14Å
48	E	98.8	Very high	98.7	Very high	63 Å²	63	48.4 Å²	48.4	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.4	-72.7	173.4	162.6	0	0	112.1	L44 L46 T52 I62	L44-E48 HydrophobicContact CD1-CG 4.19Å; L44-E48 HydrophobicContact CG-CG 4.48Å; L44-E48 WeakPolarHBondContact O-CG 3.34Å; L44-E48 PolarHBondContact O-N 3.37Å; L46-E48 PolarHBondContact O-N 2.68Å; E48-T52 WeakPolarHBondContact O-CB 3.41Å; E48-T52 PolarHBondContact O-N 3.37Å; E48-T52 VanDerWaalsContact O-N 3.1Å; E48-T52 PolarHBondContact O-OG1 3.03Å; E48-I62 HydrophobicContact CG-CD1 4.14Å; E48-I62 HydrophobicContact CG-CG2 3.79Å
49	A	98.8	Very high	98.7	Very high	49 Å²	49	53.3 Å²	53.3	41%	0.405	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-44.5	177.3	0	0	0	0	0	111.7	W45 L46 Q51 T52 L53	W45-A49 VanDerWaalsContact O-CB 3.3Å; W45-A49 WeakPolarHBondContact O-CB 3.36Å; W45-A49 PolarHBondContact O-N 3.37Å; L46-A49 PolarHBondContact O-N 2.7Å; A49-Q51 PolarHBondContact O-N 3.04Å; A49-T52 WeakPolarHBondContact O-CB 3.49Å; A49-T52 PolarHBondContact O-N 3.44Å; A49-L53 WeakPolarHBondContact O-CG 3.34Å; A49-L53 PolarHBondContact O-N 3.03Å
50	E	98.8	Very high	98.7	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-42.4	177.4	-77.2	-175.1	144.7	0	0	112	L46 T52 L53 G54 L55 I57	L46-E50 HydrophobicContact CD1-CG 4.17Å; L46-E50 HydrophobicContact CG-CG 4.37Å; L46-E50 WeakPolarHBondContact O-CB 3.49Å; L46-E50 VanDerWaalsContact O-CG 3.29Å; L46-E50 WeakPolarHBondContact O-CG 3.39Å; L46-E50 PolarHBondContact O-N 3.3Å; E50-T52 VanDerWaalsContact C-N 3.33Å; E50-T52 PolarHBondContact O-N 3.47Å; E50-L53 CarbonylContact O-C 3.56Å; E50-L53 PolarHBondContact O-N 3.38Å; E50-G54 PolarHBondContact O-N 3.48Å; E50-L55 HydrophobicContact CB-CB 4.2Å; E50-L55 HydrophobicContact CB-CD1 3.51Å; E50-L55 HydrophobicContact CB-CG 4.46Å; E50-L55 HydrophobicContact CG-CD1 3.62Å; E50-L55 WeakPolarHBondContact O-CB 3.45Å; E50-L55 PolarHBondContact O-N 3.14Å; E50-I57 HydrophobicContact CB-CD1 3.5Å; E50-I57 VanDerWaalsContact CB-CD1 3.5Å
51	Q	98.7	Very high	98.7	Very high	53 Å²	53	60 Å²	60	25%	0.248	34%	0.335	C	S	.	.	H	α-helix	trans	-58.5	-46.7	172.6	-176.9	-171.9	61.7	0	0	111	A47 A49 L53 G54 I57 D59 I62	A47-Q51 VanDerWaalsContact O-CB 3.3Å; A47-Q51 WeakPolarHBondContact O-CB 3.19Å; A47-Q51 PolarHBondContact O-N 2.95Å; A49-Q51 PolarHBondContact O-N 3.04Å; Q51-L53 PolarHBondContact O-N 2.98Å; Q51-G54 PolarHBondContact O-N 3.39Å; Q51-I57 HydrophobicContact CB-CB 4.04Å; Q51-I57 HydrophobicContact CB-CG2 4.26Å; Q51-I57 HydrophobicContact CG-CB 4.45Å; Q51-I57 WeakPolarHBondContact CG-O 3.13Å; Q51-I57 PolarHBondContact NE2-O 3.46Å; Q51-D59 PolarHBondContact NE2-OD1 2.7Å; Q51-I62 HydrophobicContact CB-CD1 4.01Å; Q51-I62 VanDerWaalsContact CD-CD1 3.41Å; Q51-I62 HydrophobicContact CG-CD1 4.29Å; Q51-I62 VanDerWaalsContact OE1-CD1 3.22Å
52	T	98.6	Very high	98.7	Very high	120 Å²	120	58.2 Å²	58.2	74%	0.736	33%	0.327	S	S	*	.	H	α-helix	trans	-60.9	-31.7	178.6	-58.6	0	0	0	0	112	E48 A49 E50 G54	E48-T52 WeakPolarHBondContact O-CB 3.41Å; E48-T52 PolarHBondContact O-N 3.37Å; E48-T52 VanDerWaalsContact O-N 3.1Å; E48-T52 PolarHBondContact O-OG1 3.03Å; A49-T52 WeakPolarHBondContact O-CB 3.49Å; A49-T52 PolarHBondContact O-N 3.44Å; E50-T52 VanDerWaalsContact C-N 3.33Å; E50-T52 PolarHBondContact O-N 3.47Å; T52-G54 VanDerWaalsContact C-N 3.29Å
53	L	98.6	Very high	98.7	Very high	146 Å²	146	62.7 Å²	62.7	76%	0.764	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-0	176.1	-66.6	172.5	0	0	0	113.8	A49 E50 Q51	A49-L53 WeakPolarHBondContact O-CG 3.34Å; A49-L53 PolarHBondContact O-N 3.03Å; E50-L53 CarbonylContact O-C 3.56Å; E50-L53 PolarHBondContact O-N 3.38Å; Q51-L53 PolarHBondContact O-N 2.98Å
54	G	98.3	Very high	98.7	Very high	68 Å²	68	64.1 Å²	64.1	70%	0.701	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	13.5	173.1	0	0	0	0	0	115.6	E50 Q51 T52	E50-G54 PolarHBondContact O-N 3.48Å; Q51-G54 PolarHBondContact O-N 3.39Å; T52-G54 VanDerWaalsContact C-N 3.29Å
55	L	98.5	Very high	98.7	Very high	70 Å²	70	64 Å²	64	37%	0.366	35%	0.354	S	S	.	.			trans	-68.6	150.6	169.1	-77.9	137.4	0	0	0	110.6	E50 I57 L108	E50-L55 HydrophobicContact CB-CB 4.2Å; E50-L55 HydrophobicContact CB-CD1 3.51Å; E50-L55 HydrophobicContact CB-CG 4.46Å; E50-L55 HydrophobicContact CG-CD1 3.62Å; E50-L55 WeakPolarHBondContact O-CB 3.45Å; E50-L55 PolarHBondContact O-N 3.14Å; L55-I57 HydrophobicContact CB-CD1 4.34Å; L55-I57 HydrophobicContact CB-CG1 4.44Å; L55-I57 PolarHBondContact O-N 3.25Å; L55-L108 HydrophobicContact CD2-CD2 4.15Å
56	P	98.2	Very high	98.7	Very high	118 Å²	118	63.3 Å²	63.3	77%	0.766	35%	0.354	S	S	*	.	S	Bend	trans	-75.9	71.1	-175.3	32.8	-36.8	0	0	0	111.7
57	I	98.7	Very high	98.7	Very high	11 Å²	11	66 Å²	66	6%	0.056	38%	0.375	C	S	.	.			trans	-117.6	126.3	178.4	-62.1	173	0	0	0	108.2	A47 E50 Q51 L55 I62 I105	A47-I57 HydrophobicContact CB-CD1 4.38Å; A47-I57 HydrophobicContact CB-CG2 4.45Å; E50-I57 HydrophobicContact CB-CD1 3.5Å; E50-I57 VanDerWaalsContact CB-CD1 3.5Å; Q51-I57 HydrophobicContact CB-CB 4.04Å; Q51-I57 HydrophobicContact CB-CG2 4.26Å; Q51-I57 HydrophobicContact CG-CB 4.45Å; Q51-I57 WeakPolarHBondContact CG-O 3.13Å; Q51-I57 PolarHBondContact NE2-O 3.46Å; L55-I57 HydrophobicContact CB-CD1 4.34Å; L55-I57 HydrophobicContact CB-CG1 4.44Å; L55-I57 PolarHBondContact O-N 3.25Å; I57-I62 HydrophobicContact CG2-CD1 4.03Å; I57-I62 HydrophobicContact CG2-CG1 3.86Å; I57-I105 HydrophobicContact CG1-CB 4.35Å; I57-I105 HydrophobicContact CG1-CG2 4.24Å
58	T	98.7	Very high	98.7	Very high	61 Å²	61	67.1 Å²	67.1	37%	0.374	38%	0.381	S	S	.	.			trans	-92.4	154.3	-177.6	85.2	0	0	0	0	112.3	E60 Q61 I62	T58-E60 WeakPolarHBondContact CB-OE2 3.29Å; T58-E60 PolarHBondContact O-N 3.01Å; T58-E60 PolarHBondContact OG1-N 2.93Å; T58-E60 PolarHBondContact OG1-OE2 3.43Å; T58-Q61 WeakPolarHBondContact O-CB 3.45Å; T58-Q61 PolarHBondContact O-N 2.79Å; T58-Q61 PolarHBondContact OG1-N 3.39Å; T58-I62 PolarHBondContact O-N 3.23Å
59	D	98.7	Very high	98.6	Very high	112 Å²	112	65.2 Å²	65.2	60%	0.599	37%	0.373	S	S	*	.	H	α-helix	trans	-59.3	-31.6	175	-66.9	-15.7	0	0	0	111.7	Q51 Q61 I62 Q63	Q51-D59 PolarHBondContact NE2-OD1 2.7Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 3Å; D59-I62 PolarHBondContact O-N 3.36Å; D59-Q63 VanDerWaalsContact O-CB 3.23Å; D59-Q63 WeakPolarHBondContact O-CB 3.28Å; D59-Q63 PolarHBondContact O-N 2.79Å
60	E	98.6	Very high	98.6	Very high	118 Å²	118	67.3 Å²	67.3	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-66.4	-35.3	175.9	-57.6	93.6	-179.8	0	0	112.5	T58 E64	T58-E60 WeakPolarHBondContact CB-OE2 3.29Å; T58-E60 PolarHBondContact O-N 3.01Å; T58-E60 PolarHBondContact OG1-N 2.93Å; T58-E60 PolarHBondContact OG1-OE2 3.43Å; E60-E64 VanDerWaalsContact O-CB 3.28Å; E60-E64 WeakPolarHBondContact O-CB 3.32Å; E60-E64 PolarHBondContact O-N 2.99Å
61	Q	98.8	Very high	98.6	Very high	27 Å²	27	70.6 Å²	70.6	13%	0.126	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-47.5	176.3	-65.2	175.9	-55	0	0	110.6	T58 D59 Q63 E64 M65 K101 A102 I105	T58-Q61 WeakPolarHBondContact O-CB 3.45Å; T58-Q61 PolarHBondContact O-N 2.79Å; T58-Q61 PolarHBondContact OG1-N 3.39Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 3Å; Q61-Q63 PolarHBondContact O-N 3.16Å; Q61-E64 PolarHBondContact O-N 3.42Å; Q61-M65 WeakPolarHBondContact O-CG 3.25Å; Q61-M65 PolarHBondContact O-N 3.15Å; Q61-K101 HydrophobicContact CG-CB 4.27Å; Q61-K101 WeakPolarHBondContact CG-O 3.46Å; Q61-K101 PolarHBondContact NE2-O 2.83Å; Q61-A102 HydrophobicContact CB-CB 3.98Å; Q61-I105 HydrophobicContact CB-CG1 4.44Å
62	I	98.8	Very high	98.6	Very high	15 Å²	15	68.7 Å²	68.7	8%	0.077	38%	0.384	C	S	.	.	H	α-helix	trans	-60.6	-45.7	177.2	-68	176.7	0	0	0	110.7	L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66	L44-I62 HydrophobicContact CD1-CG2 3.71Å; A47-I62 HydrophobicContact CB-CG1 4.38Å; E48-I62 HydrophobicContact CG-CD1 4.14Å; E48-I62 HydrophobicContact CG-CG2 3.79Å; Q51-I62 HydrophobicContact CB-CD1 4.01Å; Q51-I62 VanDerWaalsContact CD-CD1 3.41Å; Q51-I62 HydrophobicContact CG-CD1 4.29Å; Q51-I62 VanDerWaalsContact OE1-CD1 3.22Å; I57-I62 HydrophobicContact CG2-CD1 4.03Å; I57-I62 HydrophobicContact CG2-CG1 3.86Å; T58-I62 PolarHBondContact O-N 3.23Å; D59-I62 PolarHBondContact O-N 3.36Å; I62-E64 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 2.84Å; I62-M65 PolarHBondContact O-N 3.24Å; I62-K66 WeakPolarHBondContact O-CB 3.45Å; I62-K66 PolarHBondContact O-N 3.42Å
63	Q	98.8	Very high	98.5	Very high	104 Å²	104	66.7 Å²	66.7	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-36	-180	-173.8	56.3	44.7	0	0	112.3	D59 Q61 S67	D59-Q63 VanDerWaalsContact O-CB 3.23Å; D59-Q63 WeakPolarHBondContact O-CB 3.28Å; D59-Q63 PolarHBondContact O-N 2.79Å; Q61-Q63 PolarHBondContact O-N 3.16Å; Q63-S67 PolarHBondContact NE2-OG 3.48Å; Q63-S67 WeakPolarHBondContact O-CB 3.05Å; Q63-S67 PolarHBondContact O-N 3.04Å; Q63-S67 PolarHBondContact O-OG 3.5Å
64	E	98.8	Very high	98.5	Very high	33 Å²	33	63.1 Å²	63.1	15%	0.154	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-45.4	174	-171.9	179.9	-110.8	0	0	111.4	E60 Q61 I62 S67 N68 C99 P100 K101 A102	E60-E64 VanDerWaalsContact O-CB 3.28Å; E60-E64 WeakPolarHBondContact O-CB 3.32Å; E60-E64 PolarHBondContact O-N 2.99Å; Q61-E64 PolarHBondContact O-N 3.42Å; I62-E64 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 2.84Å; E64-S67 PolarHBondContact O-N 3.26Å; E64-N68 PolarHBondContact O-N 3.17Å; E64-N68 PolarHBondContact O-ND2 3.15Å; E64-C99 VanDerWaalsContact CD-CA 3.46Å; E64-C99 HydrophobicContact CG-CB 3.95Å; E64-C99 WeakPolarHBondContact OE2-CA 3.46Å; E64-C99 WeakPolarHBondContact OE2-CB 3.36Å; E64-P100 WeakPolarHBondContact OE1-CD 3.24Å; E64-K101 WeakPolarHBondContact OE1-CG 3.21Å; E64-K101 WeakPolarHBondContact OE2-CA 3.34Å; E64-K101 VanDerWaalsContact OE2-CB 3.29Å; E64-K101 WeakPolarHBondContact OE2-CB 3.48Å; E64-K101 PolarHBondContact OE2-N 3.43Å; E64-A102 PolarHBondContact OE2-N 2.9Å
65	M	98.8	Very high	98.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-48.6	174.7	-68.7	172.1	72.1	0	0	111.5	W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106	W43-M65 VanDerWaalsContact C-CE 3.48Å; W43-M65 HydrophobicContact CB-CE 3.87Å; W43-M65 WeakPolarHBondContact O-CE 3.27Å; L44-M65 HydrophobicContact CD1-CB 4.12Å; A47-M65 HydrophobicContact CB-CE 4.21Å; A47-M65 HydrophobicContact CB-SD 4.04Å; Q61-M65 WeakPolarHBondContact O-CG 3.25Å; Q61-M65 PolarHBondContact O-N 3.15Å; I62-M65 PolarHBondContact O-N 3.24Å; M65-S67 VanDerWaalsContact C-N 3.28Å; M65-S67 PolarHBondContact O-N 2.96Å; M65-N68 CarbonylContact O-C 3.59Å; M65-N68 PolarHBondContact O-N 3.21Å; M65-L69 PolarHBondContact O-N 3.36Å; M65-F95 HydrophobicContact CB-CE1 4.34Å; M65-F95 HydrophobicContact CB-CZ 3.87Å; M65-F95 HydrophobicContact CE-CE1 3.88Å; M65-F95 HydrophobicContact CG-CE1 4.22Å; M65-F95 HydrophobicContact CG-CZ 4.11Å; M65-A102 HydrophobicContact CG-CB 3.5Å; M65-A102 VanDerWaalsContact CG-CB 3.5Å; M65-A102 HydrophobicContact SD-CB 3.85Å; M65-I105 HydrophobicContact SD-CD1 3.6Å; M65-I106 HydrophobicContact CE-CG1 4.08Å; M65-I106 HydrophobicContact SD-CG1 4.32Å
66	K	98.7	Very high	98.5	Very high	113 Å²	113	65.1 Å²	65.1	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-59.7	-37.8	179.9	-173.1	171.8	-176.2	171.5	0	112.8	L44 I62 N68	L44-K66 HydrophobicContact CD1-CB 4.28Å; L44-K66 HydrophobicContact CD2-CB 3.93Å; L44-K66 HydrophobicContact CD2-CG 4.07Å; I62-K66 WeakPolarHBondContact O-CB 3.45Å; I62-K66 PolarHBondContact O-N 3.42Å; K66-N68 PolarHBondContact O-N 3.48Å
67	S	98.6	Very high	98.5	Very high	81 Å²	81	59.6 Å²	59.6	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-71.6	-15.9	179.2	-54.3	0	0	0	0	113	Q63 E64 M65	Q63-S67 PolarHBondContact NE2-OG 3.48Å; Q63-S67 WeakPolarHBondContact O-CB 3.05Å; Q63-S67 PolarHBondContact O-N 3.04Å; Q63-S67 PolarHBondContact O-OG 3.5Å; E64-S67 PolarHBondContact O-N 3.26Å; M65-S67 VanDerWaalsContact C-N 3.28Å; M65-S67 PolarHBondContact O-N 2.96Å
68	N	98.8	Very high	98.4	Very high	26 Å²	26	60.3 Å²	60.3	14%	0.139	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	12.9	-174	-76.2	-75.4	0	0	0	114	R40 E64 M65 K66 E70 N71 F95	R40-N68 PolarHBondContact NH1-O 3.25Å; E64-N68 PolarHBondContact O-N 3.17Å; E64-N68 PolarHBondContact O-ND2 3.15Å; M65-N68 CarbonylContact O-C 3.59Å; M65-N68 PolarHBondContact O-N 3.21Å; K66-N68 PolarHBondContact O-N 3.48Å; N68-E70 VanDerWaalsContact C-N 3.26Å; N68-E70 PolarHBondContact O-N 3.47Å; N68-N71 HydrophobicContact CB-CB 4.29Å; N68-N71 PolarHBondContact O-N 2.78Å; N68-N71 PolarHBondContact OD1-ND2 3.39Å; N68-F95 HydrophobicContact CB-CE2 3.91Å
69	L	98.6	Very high	98.4	Very high	23 Å²	23	62.8 Å²	62.8	12%	0.12	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.3	-178.6	-65.2	179.4	0	0	0	113.3	R40 L44 M65 F95	R40-L69 HydrophobicContact CB-CD2 3.71Å; R40-L69 WeakPolarHBondContact CD-O 3.36Å; R40-L69 WeakPolarHBondContact O-CD2 3.43Å; L44-L69 HydrophobicContact CB-CD2 4.29Å; L44-L69 HydrophobicContact CD2-CD1 3.97Å; L44-L69 HydrophobicContact CD2-CD2 4.2Å; L44-L69 HydrophobicContact CD2-CG 4.49Å; M65-L69 PolarHBondContact O-N 3.36Å; L69-F95 HydrophobicContact CD2-CZ 4.47Å
70	E	97.9	Very high	98.4	Very high	92 Å²	92	59.1 Å²	59.1	43%	0.43	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.7	-178.1	-61	-65.9	165.6	0	0	113.4	R33 R37 N68 I72	R33-E70 PolarHBondContact NH1-O 3.37Å; R33-E70 IonicContact NH1-OE2 3.97Å; R37-E70 WeakPolarHBondContact CD-OE1 3.21Å; R37-E70 IonicContact CZ-OE1 3.75Å; R37-E70 IonicContact NE-OE1 3.96Å; R37-E70 IonicContact NH1-OE1 2.84Å; R37-E70 PolarHBondContact NH1-OE1 3.17Å; N68-E70 VanDerWaalsContact C-N 3.26Å; N68-E70 PolarHBondContact O-N 3.47Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 2.98Å
71	N	98.1	Very high	98.4	Very high	91 Å²	91	57.8 Å²	57.8	49%	0.487	29%	0.287	S	S	.	.			trans	-83.5	66.7	-176.4	-176.8	24.4	0	0	0	111.9	R40 N68	R40-N71 VanDerWaalsContact NH1-C 3.29Å; R40-N71 PolarHBondContact NH1-O 3.02Å; R40-N71 PolarHBondContact NH2-O 3.19Å; N68-N71 HydrophobicContact CB-CB 4.29Å; N68-N71 PolarHBondContact O-N 2.78Å; N68-N71 PolarHBondContact OD1-ND2 3.39Å
72	I	98.3	Very high	98.4	Very high	13 Å²	13	65 Å²	65	7%	0.067	32%	0.318	C	S	.	.			trans	-99.1	113.5	-172.9	-50.7	174.6	0	0	0	110.6	F36 R37 E70 F74	F36-I72 HydrophobicContact CB-CD1 3.89Å; R37-I72 HydrophobicContact CB-CD1 4.11Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 2.98Å; I72-F74 HydrophobicContact CB-CD2 4.32Å; I72-F74 HydrophobicContact CB-CE2 3.82Å; I72-F74 HydrophobicContact CB-CZ 4.18Å; I72-F74 HydrophobicContact CD1-CZ 4.45Å; I72-F74 HydrophobicContact CG2-CD1 4.4Å; I72-F74 HydrophobicContact CG2-CD2 4.06Å; I72-F74 HydrophobicContact CG2-CE1 4.19Å; I72-F74 HydrophobicContact CG2-CE2 3.79Å; I72-F74 HydrophobicContact CG2-CG 4.35Å; I72-F74 HydrophobicContact CG2-CZ 3.86Å; I72-F74 WeakPolarHBondContact O-CD2 3.46Å; I72-F74 PolarHBondContact O-N 3.29Å
73	D	98.2	Very high	98.3	Very high	78 Å²	78	71.2 Å²	71.2	42%	0.417	34%	0.34	S	S	.	.			trans	-84.3	92.6	169.3	-171	-19.5	0	0	0	110.4	K75 M76 A77 T94	D73-K75 PolarHBondContact O-N 3.02Å; D73-K75 WeakPolarHBondContact OD1-CA 3.43Å; D73-K75 WeakPolarHBondContact OD1-CB 3.33Å; D73-K75 PolarHBondContact OD1-N 3.18Å; D73-M76 HydrophobicContact CB-CB 4.02Å; D73-M76 PolarHBondContact O-N 3.05Å; D73-M76 PolarHBondContact OD1-N 3.4Å; D73-A77 WeakPolarHBondContact O-CB 3.41Å; D73-A77 PolarHBondContact O-N 2.88Å; D73-T94 HydrophobicContact CB-CG2 4.24Å; D73-T94 WeakPolarHBondContact O-CG2 3.37Å
74	F	97.7	Very high	98.3	Very high	71 Å²	71	68.8 Å²	68.8	31%	0.311	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-26.9	178	-69.9	-88.8	0	0	0	113.3	D32 R33 F36 I72 A78	D32-F74 HydrophobicContact CB-CE1 4.11Å; R33-F74 HydrophobicContact CB-CZ 4.32Å; F36-F74 HydrophobicContact CD2-CD1 4.44Å; F36-F74 AromaticContact CD2-CE1 3.73Å; F36-F74 HydrophobicContact CD2-CE1 3.73Å; F36-F74 HydrophobicContact CE2-CE1 4.29Å; I72-F74 HydrophobicContact CB-CD2 4.32Å; I72-F74 HydrophobicContact CB-CE2 3.82Å; I72-F74 HydrophobicContact CB-CZ 4.18Å; I72-F74 HydrophobicContact CD1-CZ 4.45Å; I72-F74 HydrophobicContact CG2-CD1 4.4Å; I72-F74 HydrophobicContact CG2-CD2 4.06Å; I72-F74 HydrophobicContact CG2-CE1 4.19Å; I72-F74 HydrophobicContact CG2-CE2 3.79Å; I72-F74 HydrophobicContact CG2-CG 4.35Å; I72-F74 HydrophobicContact CG2-CZ 3.86Å; I72-F74 WeakPolarHBondContact O-CD2 3.46Å; I72-F74 PolarHBondContact O-N 3.29Å; F74-A78 WeakPolarHBondContact O-CB 3.49Å; F74-A78 PolarHBondContact O-N 3.31Å
75	K	98.3	Very high	98.2	Very high	148 Å²	148	78.1 Å²	78.1	64%	0.643	36%	0.364	S	S	*	.	H	α-helix	trans	-71.7	-49.3	179.7	-177.2	-174	172.1	-169.1	0	109.5	D73 A77 A78 E79	D73-K75 PolarHBondContact O-N 3.02Å; D73-K75 WeakPolarHBondContact OD1-CA 3.43Å; D73-K75 WeakPolarHBondContact OD1-CB 3.33Å; D73-K75 PolarHBondContact OD1-N 3.18Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.23Å; K75-A78 PolarHBondContact O-N 3.32Å; K75-E79 WeakPolarHBondContact CE-OE1 3.49Å; K75-E79 WeakPolarHBondContact O-CG 3.33Å; K75-E79 PolarHBondContact O-N 3.32Å
76	M	98.1	Very high	98.2	Very high	32 Å²	32	81.6 Å²	81.6	16%	0.158	38%	0.38	C	S	.	.	H	α-helix	trans	-58.9	-45.4	174.6	-175.4	-170.7	-180	0	0	110.9	D73 A78 E79 E80 T94 H97	D73-M76 HydrophobicContact CB-CB 4.02Å; D73-M76 PolarHBondContact O-N 3.05Å; D73-M76 PolarHBondContact OD1-N 3.4Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 2.71Å; M76-E79 PolarHBondContact O-N 3.33Å; M76-E80 HydrophobicContact CE-CG 4.32Å; M76-E80 HydrophobicContact CG-CG 4.22Å; M76-E80 WeakPolarHBondContact O-CB 3.3Å; M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.36Å; M76-T94 HydrophobicContact CB-CG2 4.22Å; M76-T94 HydrophobicContact CG-CG2 4.32Å; M76-T94 HydrophobicContact SD-CG2 3.95Å; M76-H97 HydrophobicContact CE-CB 3.55Å; M76-H97 HydrophobicContact SD-CB 3.82Å
77	A	98.4	Very high	98.2	Very high	2 Å²	2	78.6 Å²	78.6	2%	0.017	37%	0.37	C	S	.	.	H	α-helix	trans	-58.4	-42.8	178.5	0	0	0	0	0	112.4	D73 K75 E80 E81 T94	D73-A77 WeakPolarHBondContact O-CB 3.41Å; D73-A77 PolarHBondContact O-N 2.88Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.23Å; A77-E80 PolarHBondContact O-N 3.03Å; A77-E81 WeakPolarHBondContact O-CB 3.29Å; A77-E81 PolarHBondContact O-N 3.43Å; A77-T94 VanDerWaalsContact CA-OG1 3.31Å; A77-T94 WeakPolarHBondContact CA-OG1 3.29Å; A77-T94 HydrophobicContact CB-CG2 4.33Å; A77-T94 PolarHBondContact N-OG1 2.92Å
78	A	98.1	Very high	98.2	Very high	27 Å²	27	75 Å²	75	22%	0.223	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-36.5	177.3	0	0	0	0	0	113	F74 K75 M76 K82	F74-A78 WeakPolarHBondContact O-CB 3.49Å; F74-A78 PolarHBondContact O-N 3.31Å; K75-A78 PolarHBondContact O-N 3.32Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 2.71Å; A78-K82 WeakPolarHBondContact O-CB 3.4Å; A78-K82 PolarHBondContact O-N 3.31Å
79	E	98.4	Very high	98.1	Very high	112 Å²	112	77 Å²	77	52%	0.523	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-44.1	174.4	-71.6	172.6	-174.2	0	0	111.3	K75 M76 K82 R83	K75-E79 WeakPolarHBondContact CE-OE1 3.49Å; K75-E79 WeakPolarHBondContact O-CG 3.33Å; K75-E79 PolarHBondContact O-N 3.32Å; M76-E79 PolarHBondContact O-N 3.33Å; E79-K82 PolarHBondContact O-N 2.93Å; E79-R83 PolarHBondContact O-N 3.05Å; E79-R83 VanDerWaalsContact O-N 3.1Å
80	E	98.3	Very high	98.1	Very high	36 Å²	36	75.9 Å²	75.9	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-41.8	176.4	-73.1	-62.4	164.8	0	0	112	M76 A77 K82 R83 L84 A90 H93	M76-E80 HydrophobicContact CE-CG 4.32Å; M76-E80 HydrophobicContact CG-CG 4.22Å; M76-E80 WeakPolarHBondContact O-CB 3.3Å; M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.36Å; A77-E80 PolarHBondContact O-N 3.03Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 3.42Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.14Å; E80-R83 VanDerWaalsContact O-N 3.13Å; E80-R83 IonicContact OE1-NE 3.99Å; E80-R83 IonicContact OE2-CZ 3.13Å; E80-R83 IonicContact OE2-NE 2.83Å; E80-R83 PolarHBondContact OE2-NE 3.07Å; E80-R83 IonicContact OE2-NH2 2.64Å; E80-R83 PolarHBondContact OE2-NH2 3.17Å; E80-L84 VanDerWaalsContact O-CB 3.32Å; E80-L84 WeakPolarHBondContact O-CB 3.33Å; E80-L84 WeakPolarHBondContact O-CG 3.39Å; E80-L84 PolarHBondContact O-N 3.34Å; E80-A90 HydrophobicContact CB-CB 3.7Å; E80-H93 HydrophobicContact CG-CB 4.48Å
81	E	98.4	Very high	98.2	Very high	89 Å²	89	71.8 Å²	71.8	42%	0.416	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-40.9	176.5	-172.8	-171.6	166.6	0	0	110.8	A77 R83 L84 R85 D87 A90	A77-E81 WeakPolarHBondContact O-CB 3.29Å; A77-E81 PolarHBondContact O-N 3.43Å; E81-R83 PolarHBondContact O-N 2.89Å; E81-L84 PolarHBondContact O-N 3.13Å; E81-R85 WeakPolarHBondContact O-CA 3.41Å; E81-R85 PolarHBondContact O-N 3.2Å; E81-D87 HydrophobicContact CG-CB 4.33Å; E81-A90 HydrophobicContact CB-CB 3.77Å; E81-A90 VanDerWaalsContact N-CB 3.27Å
82	K	98.2	Very high	98.2	Very high	179 Å²	179	68.2 Å²	68.2	78%	0.778	31%	0.31	S	S	*	.	H	α-helix	trans	-60.6	-36.9	174.7	-173.6	-177.8	178.9	-176.1	0	111.8	A78 E79 E80	A78-K82 WeakPolarHBondContact O-CB 3.4Å; A78-K82 PolarHBondContact O-N 3.31Å; E79-K82 PolarHBondContact O-N 2.93Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 3.42Å
83	R	97.9	Very high	98.2	Very high	146 Å²	146	71.6 Å²	71.6	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-74.4	-48.7	179.5	-175	-177.7	69.3	82	-5.2	112.1	E79 E80 E81	E79-R83 PolarHBondContact O-N 3.05Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.14Å; E80-R83 VanDerWaalsContact O-N 3.13Å; E80-R83 IonicContact OE1-NE 3.99Å; E80-R83 IonicContact OE2-CZ 3.13Å; E80-R83 IonicContact OE2-NE 2.83Å; E80-R83 PolarHBondContact OE2-NE 3.07Å; E80-R83 IonicContact OE2-NH2 2.64Å; E80-R83 PolarHBondContact OE2-NH2 3.17Å; E81-R83 PolarHBondContact O-N 2.89Å
84	L	97.3	Very high	98.2	Very high	53 Å²	53	68 Å²	68	28%	0.277	31%	0.306	S	S	.	.	H	α-helix	trans	-86.8	-21.2	-172.3	-66	171.6	0	0	0	113.3	E80 E81 H86 M89 H93	E80-L84 VanDerWaalsContact O-CB 3.32Å; E80-L84 WeakPolarHBondContact O-CB 3.33Å; E80-L84 WeakPolarHBondContact O-CG 3.39Å; E80-L84 PolarHBondContact O-N 3.34Å; E81-L84 PolarHBondContact O-N 3.13Å; L84-H86 PolarHBondContact O-N 3.48Å; L84-M89 HydrophobicContact CD1-CB 4.13Å; L84-H93 VanDerWaalsContact CD1-CD2 3.45Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.42Å
85	R	98	Very high	98.3	Very high	228 Å²	228	64.7 Å²	64.7	86%	0.86	29%	0.292	S	S	*	.	S	Bend	trans	54.8	33.6	-171	-54.3	-177.2	177.6	-172.8	-0.7	112.4	E81	E81-R85 WeakPolarHBondContact O-CA 3.41Å; E81-R85 PolarHBondContact O-N 3.2Å
86	H	98	Very high	98.3	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.338	27%	0.266	S	S	.	.			trans	-151.9	114.7	-178.2	-166.3	-33.2	0	0	0	109.7	L84 V88 M89 A90	L84-H86 PolarHBondContact O-N 3.48Å; H86-V88 PolarHBondContact ND1-N 2.65Å; H86-M89 HydrophobicContact CB-CB 4.18Å; H86-M89 HydrophobicContact CB-CG 4.41Å; H86-A90 WeakPolarHBondContact O-CB 3.37Å; H86-A90 PolarHBondContact O-N 2.97Å
87	D	98.2	Very high	98.3	Very high	51 Å²	51	63 Å²	63	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-66.8	-46.7	-174.7	63.9	-24.2	0	0	0	113.1	W39 E81 M89 A90 H91	W39-D87 WeakPolarHBondContact CH2-OD2 3.48Å; E81-D87 HydrophobicContact CG-CB 4.33Å; D87-M89 PolarHBondContact O-N 3.32Å; D87-A90 WeakPolarHBondContact O-CB 3.3Å; D87-A90 PolarHBondContact O-N 3.44Å; D87-H91 PolarHBondContact O-CD2 3.24Å; D87-H91 PolarHBondContact O-N 3.46Å
88	V	98.6	Very high	98.3	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-51.1	176.3	178.4	0	0	0	0	110.6	W39 W43 H86 A90 H91 V92 V115	W39-V88 HydrophobicContact CH2-CB 4.42Å; W39-V88 HydrophobicContact CH2-CG2 3.51Å; W39-V88 HydrophobicContact CZ2-CG2 4.23Å; W39-V88 HydrophobicContact CZ3-CB 4.23Å; W39-V88 HydrophobicContact CZ3-CG2 3.77Å; W43-V88 HydrophobicContact CZ2-CG1 4.07Å; H86-V88 PolarHBondContact ND1-N 2.65Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 2.87Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 3.22Å; V88-H91 VanDerWaalsContact O-N 3.13Å; V88-V92 HydrophobicContact CG1-CG2 4.37Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.46Å; V88-V115 HydrophobicContact CG1-CG2 3.86Å; V88-V115 HydrophobicContact CG2-CG2 3.98Å
89	M	98.3	Very high	98.3	Very high	68 Å²	68	63.2 Å²	63.2	34%	0.335	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-36.4	-180	-67	-52	-55.8	0	0	112.2	L84 H86 D87 H91 V92 H93	L84-M89 HydrophobicContact CD1-CB 4.13Å; H86-M89 HydrophobicContact CB-CB 4.18Å; H86-M89 HydrophobicContact CB-CG 4.41Å; D87-M89 PolarHBondContact O-N 3.32Å; M89-H91 VanDerWaalsContact C-N 3.34Å; M89-H91 PolarHBondContact O-N 2.91Å; M89-V92 HydrophobicContact CE-CB 4.46Å; M89-V92 HydrophobicContact CE-CG1 4.39Å; M89-V92 PolarHBondContact O-N 2.92Å; M89-H93 PolarHBondContact O-CD2 2.98Å; M89-H93 PolarHBondContact O-N 3.29Å
90	A	98.6	Very high	98.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-47.9	172.1	0	0	0	0	0	111.6	E80 E81 H86 D87 V88 V92 H93 T94	E80-A90 HydrophobicContact CB-CB 3.7Å; E81-A90 HydrophobicContact CB-CB 3.77Å; E81-A90 VanDerWaalsContact N-CB 3.27Å; H86-A90 WeakPolarHBondContact O-CB 3.37Å; H86-A90 PolarHBondContact O-N 2.97Å; D87-A90 WeakPolarHBondContact O-CB 3.3Å; D87-A90 PolarHBondContact O-N 3.44Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 2.87Å; A90-V92 PolarHBondContact O-N 2.65Å; A90-H93 PolarHBondContact O-N 2.86Å; A90-T94 WeakPolarHBondContact O-CB 3.45Å; A90-T94 PolarHBondContact O-N 3.33Å; A90-T94 PolarHBondContact O-OG1 2.93Å
91	H	98.7	Very high	98.4	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.028	31%	0.31	C	S	.	.	H	α-helix	trans	-69.4	-30	177.8	-83.3	-93.1	0	0	0	113.8	F36 W39 W43 D87 V88 M89 F95	F36-H91 AromaticContact CD1-CD2 3.79Å; F36-H91 AromaticContact CD1-CE1 3.25Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.23Å; F36-H91 AromaticContact CD1-CG 3.78Å; F36-H91 AromaticContact CD1-ND1 3.45Å; F36-H91 WeakPolarHBondContact CD1-ND1 3.48Å; F36-H91 AromaticContact CD1-NE2 3.48Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.17Å; F36-H91 AromaticContact CD2-CE1 3.56Å; F36-H91 AromaticContact CD2-NE2 3.94Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 AromaticContact CE1-CE1 3.53Å; F36-H91 AromaticContact CE1-CG 3.97Å; F36-H91 AromaticContact CE1-ND1 3.98Å; F36-H91 AromaticContact CE1-NE2 3.21Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.08Å; F36-H91 AromaticContact CE2-CE1 3.82Å; F36-H91 AromaticContact CE2-NE2 3.71Å; F36-H91 AromaticContact CG-CE1 3.27Å; F36-H91 WeakPolarHBondContact CG-CE1 3.39Å; F36-H91 AromaticContact CG-ND1 3.7Å; F36-H91 AromaticContact CG-NE2 3.84Å; F36-H91 AromaticContact CZ-CE1 3.79Å; F36-H91 AromaticContact CZ-NE2 3.32Å; F36-H91 VanDerWaalsContact CZ-NE2 3.32Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.38Å; W39-H91 HydrophobicContact CE3-CB 4.03Å; W39-H91 HydrophobicContact CZ3-CB 4.15Å; W43-H91 HydrophobicContact CH2-CB 3.97Å; W43-H91 HydrophobicContact CZ3-CB 4.37Å; D87-H91 PolarHBondContact O-CD2 3.24Å; D87-H91 PolarHBondContact O-N 3.46Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 3.22Å; V88-H91 VanDerWaalsContact O-N 3.13Å; M89-H91 VanDerWaalsContact C-N 3.34Å; M89-H91 PolarHBondContact O-N 2.91Å; H91-F95 VanDerWaalsContact O-CB 3.26Å; H91-F95 WeakPolarHBondContact O-CB 3.23Å; H91-F95 PolarHBondContact O-N 3.42Å
92	V	98.7	Very high	98.4	Very high	16 Å²	16	62.4 Å²	62.4	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-49.4	169.6	169.5	0	0	0	0	110	W43 V88 M89 A90 F95 G96 I106 H107	W43-V92 HydrophobicContact CH2-CG2 3.87Å; W43-V92 HydrophobicContact CZ2-CG2 3.44Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.44Å; V88-V92 HydrophobicContact CG1-CG2 4.37Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.46Å; M89-V92 HydrophobicContact CE-CB 4.46Å; M89-V92 HydrophobicContact CE-CG1 4.39Å; M89-V92 PolarHBondContact O-N 2.92Å; A90-V92 PolarHBondContact O-N 2.65Å; V92-F95 PolarHBondContact O-N 2.89Å; V92-G96 PolarHBondContact O-N 2.92Å; V92-I106 HydrophobicContact CG1-CG2 4.08Å; V92-I106 HydrophobicContact CG2-CG2 4.34Å; V92-H107 HydrophobicContact CG2-CB 3.89Å
93	H	98.5	Very high	98.4	Very high	84 Å²	84	56 Å²	56	39%	0.389	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-44.6	177.5	-80	-74.5	0	0	0	112.3	E80 L84 M89 A90 F95 G96 H97	E80-H93 HydrophobicContact CG-CB 4.48Å; L84-H93 VanDerWaalsContact CD1-CD2 3.45Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.42Å; M89-H93 PolarHBondContact O-CD2 2.98Å; M89-H93 PolarHBondContact O-N 3.29Å; A90-H93 PolarHBondContact O-N 2.86Å; H93-F95 VanDerWaalsContact C-N 3.34Å; H93-F95 PolarHBondContact O-N 2.85Å; H93-G96 PolarHBondContact O-N 3.2Å; H93-H97 PolarHBondContact O-N 3.17Å
94	T	98.8	Very high	98.4	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-38.6	177.2	-58.4	0	0	0	0	112.1	D73 M76 A77 A90 H97	D73-T94 HydrophobicContact CB-CG2 4.24Å; D73-T94 WeakPolarHBondContact O-CG2 3.37Å; M76-T94 HydrophobicContact CB-CG2 4.22Å; M76-T94 HydrophobicContact CG-CG2 4.32Å; M76-T94 HydrophobicContact SD-CG2 3.95Å; A77-T94 VanDerWaalsContact CA-OG1 3.31Å; A77-T94 WeakPolarHBondContact CA-OG1 3.29Å; A77-T94 HydrophobicContact CB-CG2 4.33Å; A77-T94 PolarHBondContact N-OG1 2.92Å; A90-T94 WeakPolarHBondContact O-CB 3.45Å; A90-T94 PolarHBondContact O-N 3.33Å; A90-T94 PolarHBondContact O-OG1 2.93Å; T94-H97 PolarHBondContact O-N 3.33Å
95	F	98.8	Very high	98.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.8	-39.8	177.1	-167.7	-152.3	0	0	0	111.8	R40 W43 M65 N68 L69 H91 V92 H93 H97 C98 C99 I106	R40-F95 HydrophobicContact CB-CD1 4.46Å; R40-F95 HydrophobicContact CB-CE1 3.97Å; R40-F95 HydrophobicContact CB-CE2 4.46Å; R40-F95 HydrophobicContact CB-CZ 3.97Å; R40-F95 HydrophobicContact CG-CD1 3.86Å; R40-F95 HydrophobicContact CG-CD2 4.09Å; R40-F95 HydrophobicContact CG-CE1 3.86Å; R40-F95 HydrophobicContact CG-CE2 4.08Å; R40-F95 HydrophobicContact CG-CG 3.98Å; R40-F95 HydrophobicContact CG-CZ 3.96Å; R40-F95 VanDerWaalsContact CZ-CD2 3.4Å; W43-F95 AromaticContact CE3-CD1 3.83Å; W43-F95 HydrophobicContact CE3-CD1 3.83Å; W43-F95 HydrophobicContact CE3-CE1 4.35Å; W43-F95 HydrophobicContact CZ3-CD1 4.4Å; M65-F95 HydrophobicContact CB-CE1 4.34Å; M65-F95 HydrophobicContact CB-CZ 3.87Å; M65-F95 HydrophobicContact CE-CE1 3.88Å; M65-F95 HydrophobicContact CG-CE1 4.22Å; M65-F95 HydrophobicContact CG-CZ 4.11Å; N68-F95 HydrophobicContact CB-CE2 3.91Å; L69-F95 HydrophobicContact CD2-CZ 4.47Å; H91-F95 VanDerWaalsContact O-CB 3.26Å; H91-F95 WeakPolarHBondContact O-CB 3.23Å; H91-F95 PolarHBondContact O-N 3.42Å; V92-F95 PolarHBondContact O-N 2.89Å; H93-F95 VanDerWaalsContact C-N 3.34Å; H93-F95 PolarHBondContact O-N 2.85Å; F95-H97 PolarHBondContact O-N 3.38Å; F95-C98 PolarHBondContact O-N 2.77Å; F95-C98 PolarHBondContact O-SG 3.44Å; F95-C98 VanDerWaalsContact O-SG 3.37Å; F95-C99 WeakPolarHBondContact CE2-SG 3.44Å; F95-C99 WeakPolarHBondContact O-CB 3.37Å; F95-C99 PolarHBondContact O-N 2.91Å; F95-I106 HydrophobicContact CB-CD1 4.22Å; F95-I106 HydrophobicContact CD1-CD1 3.64Å; F95-I106 HydrophobicContact CD1-CG1 4.18Å; F95-I106 HydrophobicContact CD1-CG2 4.16Å; F95-I106 HydrophobicContact CE1-CD1 4.24Å; F95-I106 HydrophobicContact CG-CD1 3.97Å
96	G	98.6	Very high	98.5	Very high	11 Å²	11	40.4 Å²	40.4	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-28.6	172.4	0	0	0	0	0	113.4	V92 H93 C99 P100	V92-G96 PolarHBondContact O-N 2.92Å; H93-G96 PolarHBondContact O-N 3.2Å; G96-C99 CarbonylContact O-C 3.13Å; G96-C99 PolarHBondContact O-N 3.2Å; G96-P100 WeakPolarHBondContact O-CA 3.48Å
97	H	98.6	Very high	98.5	Very high	133 Å²	133	38.1 Å²	38.1	62%	0.616	22%	0.221	S	C	*	.	H	α-helix	trans	-66.1	-42.7	176.1	-174.5	69.1	0	0	0	113	M76 H93 T94 F95	M76-H97 HydrophobicContact CE-CB 3.55Å; M76-H97 HydrophobicContact SD-CB 3.82Å; H93-H97 PolarHBondContact O-N 3.17Å; T94-H97 PolarHBondContact O-N 3.33Å; F95-H97 PolarHBondContact O-N 3.38Å
98	C	98.1	Very high	98.5	Very high	35 Å²	35	39 Å²	39	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-85.3	-9.9	174.7	62.5	0	0	0	0	113.9	F95	F95-C98 PolarHBondContact O-N 2.77Å; F95-C98 PolarHBondContact O-SG 3.44Å; F95-C98 VanDerWaalsContact O-SG 3.37Å
99	C	98.4	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.264	C	S	.	.			trans	-124.7	67.6	175.3	-57.2	0	0	0	0	111.3	E64 F95 G96 K101 A102 A103 I106	E64-C99 VanDerWaalsContact CD-CA 3.46Å; E64-C99 HydrophobicContact CG-CB 3.95Å; E64-C99 WeakPolarHBondContact OE2-CA 3.46Å; E64-C99 WeakPolarHBondContact OE2-CB 3.36Å; F95-C99 WeakPolarHBondContact CE2-SG 3.44Å; F95-C99 WeakPolarHBondContact O-CB 3.37Å; F95-C99 PolarHBondContact O-N 2.91Å; G96-C99 CarbonylContact O-C 3.13Å; G96-C99 PolarHBondContact O-N 3.2Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.23Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.57Å; C99-A102 PolarHBondContact O-N 2.84Å; C99-A102 VanDerWaalsContact O-N 3.14Å; C99-A103 PolarHBondContact O-N 3.24Å; C99-I106 HydrophobicContact CB-CD1 4.39Å
100	P	98.5	Very high	98.5	Very high	92 Å²	92	40.7 Å²	40.7	60%	0.597	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.8	-172.9	25.7	-35.7	0	0	0	113.9	E64 G96	E64-P100 WeakPolarHBondContact OE1-CD 3.24Å; G96-P100 WeakPolarHBondContact O-CA 3.48Å
101	K	98.6	Very high	98.5	Very high	128 Å²	128	45.2 Å²	45.2	56%	0.557	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-38.4	176.1	-57.8	174.5	-178	177.9	0	110.8	Q61 E64 C99	Q61-K101 HydrophobicContact CG-CB 4.27Å; Q61-K101 WeakPolarHBondContact CG-O 3.46Å; Q61-K101 PolarHBondContact NE2-O 2.83Å; E64-K101 WeakPolarHBondContact OE1-CG 3.21Å; E64-K101 WeakPolarHBondContact OE2-CA 3.34Å; E64-K101 VanDerWaalsContact OE2-CB 3.29Å; E64-K101 WeakPolarHBondContact OE2-CB 3.48Å; E64-K101 PolarHBondContact OE2-N 3.43Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.23Å
102	A	98.6	Very high	98.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.3	179.9	0	0	0	0	0	114	Q61 E64 M65 C99 G104 I105 I106	Q61-A102 HydrophobicContact CB-CB 3.98Å; E64-A102 PolarHBondContact OE2-N 2.9Å; M65-A102 HydrophobicContact CG-CB 3.5Å; M65-A102 VanDerWaalsContact CG-CB 3.5Å; M65-A102 HydrophobicContact SD-CB 3.85Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.57Å; C99-A102 PolarHBondContact O-N 2.84Å; C99-A102 VanDerWaalsContact O-N 3.14Å; A102-G104 PolarHBondContact O-N 3.07Å; A102-I105 HydrophobicContact CB-CD1 3.99Å; A102-I105 HydrophobicContact CB-CG1 4.43Å; A102-I105 WeakPolarHBondContact O-CD1 3.3Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.26Å; A102-I105 PolarHBondContact O-N 3.15Å; A102-I106 HydrophobicContact CB-CD1 4.42Å; A102-I106 HydrophobicContact CB-CG1 4.42Å; A102-I106 WeakPolarHBondContact O-CG1 3.5Å; A102-I106 PolarHBondContact O-N 3.39Å
103	A	98.4	Very high	98.4	Very high	43 Å²	43	49.4 Å²	49.4	36%	0.355	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-37.6	-172.1	0	0	0	0	0	114.6	C99	C99-A103 PolarHBondContact O-N 3.24Å
104	G	98.1	Very high	98.4	Very high	70 Å²	70	48 Å²	48	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.3	-179.8	0	0	0	0	0	115.6	A102	A102-G104 PolarHBondContact O-N 3.07Å
105	I	98.6	Very high	98.4	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.097	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-8.8	-178.5	61.7	69.3	0	0	0	113.1	A47 I57 Q61 M65 A102 H107 L108	A47-I105 HydrophobicContact CB-CD1 4.14Å; I57-I105 HydrophobicContact CG1-CB 4.35Å; I57-I105 HydrophobicContact CG1-CG2 4.24Å; Q61-I105 HydrophobicContact CB-CG1 4.44Å; M65-I105 HydrophobicContact SD-CD1 3.6Å; A102-I105 HydrophobicContact CB-CD1 3.99Å; A102-I105 HydrophobicContact CB-CG1 4.43Å; A102-I105 WeakPolarHBondContact O-CD1 3.3Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.26Å; A102-I105 PolarHBondContact O-N 3.15Å; I105-H107 PolarHBondContact O-N 3.1Å; I105-L108 WeakPolarHBondContact O-CB 3.43Å; I105-L108 PolarHBondContact O-N 2.98Å
106	I	98.7	Very high	98.4	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.056	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	125.8	175.3	-67.7	166.2	0	0	0	108.6	W43 M65 V92 F95 C99 A102 L108	W43-I106 HydrophobicContact CD2-CG2 4.01Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4.11Å; M65-I106 HydrophobicContact CE-CG1 4.08Å; M65-I106 HydrophobicContact SD-CG1 4.32Å; V92-I106 HydrophobicContact CG1-CG2 4.08Å; V92-I106 HydrophobicContact CG2-CG2 4.34Å; F95-I106 HydrophobicContact CB-CD1 4.22Å; F95-I106 HydrophobicContact CD1-CD1 3.64Å; F95-I106 HydrophobicContact CD1-CG1 4.18Å; F95-I106 HydrophobicContact CD1-CG2 4.16Å; F95-I106 HydrophobicContact CE1-CD1 4.24Å; F95-I106 HydrophobicContact CG-CD1 3.97Å; C99-I106 HydrophobicContact CB-CD1 4.39Å; A102-I106 HydrophobicContact CB-CD1 4.42Å; A102-I106 HydrophobicContact CB-CG1 4.42Å; A102-I106 WeakPolarHBondContact O-CG1 3.5Å; A102-I106 PolarHBondContact O-N 3.39Å; I106-L108 VanDerWaalsContact C-N 3.3Å; I106-L108 PolarHBondContact O-N 2.83Å
107	H	98.5	Very high	98.4	Very high	26 Å²	26	52.2 Å²	52.2	12%	0.12	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	18.7	179.6	-155.1	46.9	0	0	0	115.4	W43 V92 I105 G109 A110 T111	W43-H107 AromaticContact CD1-ND1 3.85Å; W43-H107 AromaticContact NE1-CE1 3.97Å; W43-H107 AromaticContact NE1-CG 3.48Å; W43-H107 AromaticContact NE1-ND1 3.04Å; W43-H107 PolarHBondContact NE1-ND1 3.19Å; V92-H107 HydrophobicContact CG2-CB 3.89Å; I105-H107 PolarHBondContact O-N 3.1Å; H107-G109 PolarHBondContact O-N 3Å; H107-A110 WeakPolarHBondContact ND1-CB 3.48Å; H107-A110 PolarHBondContact O-N 3.42Å; H107-T111 VanDerWaalsContact CE1-C 3.46Å; H107-T111 PolarHBondContact CE1-O 3.13Å
108	L	98.4	Very high	98.4	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.356	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	130.1	177.4	-174.4	63.6	0	0	0	111.2	L55 I105 I106 A110	L55-L108 HydrophobicContact CD2-CD2 4.15Å; I105-L108 WeakPolarHBondContact O-CB 3.43Å; I105-L108 PolarHBondContact O-N 2.98Å; I106-L108 VanDerWaalsContact C-N 3.3Å; I106-L108 PolarHBondContact O-N 2.83Å; L108-A110 PolarHBondContact O-N 3.03Å
109	G	97.9	Very high	98.4	Very high	83 Å²	83	47.2 Å²	47.2	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-4.5	177.2	0	0	0	0	0	116.7	H107	H107-G109 PolarHBondContact O-N 3Å
110	A	98.3	Very high	98.5	Very high	27 Å²	27	51.1 Å²	51.1	22%	0.223	33%	0.328	C	S	.	.			trans	-95.4	166	-175.6	0	0	0	0	0	112.9	L46 H107 L108 Y114	L46-A110 HydrophobicContact CD2-CB 3.9Å; H107-A110 WeakPolarHBondContact ND1-CB 3.48Å; H107-A110 PolarHBondContact O-N 3.42Å; L108-A110 PolarHBondContact O-N 3.03Å; A110-Y114 HydrophobicContact CB-CD1 4.11Å; A110-Y114 HydrophobicContact CB-CG 4.01Å
111	T	98.4	Very high	98.5	Very high	94 Å²	94	52 Å²	52	58%	0.577	33%	0.327	S	S	*	.			trans	-118.6	167.5	170.8	66.1	0	0	0	0	109.9	H107 C113 Y114	H107-T111 VanDerWaalsContact CE1-C 3.46Å; H107-T111 PolarHBondContact CE1-O 3.13Å; T111-C113 PolarHBondContact O-N 2.82Å; T111-C113 VanDerWaalsContact O-N 3.08Å; T111-Y114 WeakPolarHBondContact O-CB 3.23Å; T111-Y114 PolarHBondContact O-N 3.05Å
112	S	97.4	Very high	98.5	Very high	49 Å²	49	47.2 Å²	47.2	34%	0.343	31%	0.307	S	S	.	.	H	α-helix	trans	-50.2	-37.9	-177.7	51.4	0	0	0	0	114.4	Y114 V115 G116	S112-Y114 PolarHBondContact O-N 3.19Å; S112-V115 WeakPolarHBondContact O-CG2 3.44Å; S112-V115 PolarHBondContact O-N 3.02Å; S112-G116 PolarHBondContact O-N 2.84Å
113	C	98.3	Very high	98.5	Very high	61 Å²	61	47.8 Å²	47.8	41%	0.412	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-20.5	178.5	-69.5	0	0	0	0	113.5	T111 V115 D117	T111-C113 PolarHBondContact O-N 2.82Å; T111-C113 VanDerWaalsContact O-N 3.08Å; C113-V115 VanDerWaalsContact C-N 3.27Å; C113-V115 PolarHBondContact O-N 3.31Å; C113-D117 WeakPolarHBondContact O-CB 3.38Å; C113-D117 PolarHBondContact O-N 3.29Å; C113-D117 VanDerWaalsContact O-N 3.15Å; C113-D117 PolarHBondContact SG-OD1 2.95Å; C113-D117 VanDerWaalsContact SG-OD1 3.39Å
114	Y	98.8	Very high	98.5	Very high	55 Å²	55	50.4 Å²	50.4	22%	0.216	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-41.7	172.7	175.6	-104.3	0	0	0	111.5	L42 L46 A110 T111 S112 N118	L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 PolarHBondContact O-OH 3.24Å; L46-Y114 HydrophobicContact CB-CE1 3.95Å; L46-Y114 WeakPolarHBondContact CB-OH 3.4Å; L46-Y114 HydrophobicContact CD2-CD1 4.26Å; L46-Y114 HydrophobicContact CD2-CE1 3.93Å; L46-Y114 HydrophobicContact CG-CE1 4.41Å; A110-Y114 HydrophobicContact CB-CD1 4.11Å; A110-Y114 HydrophobicContact CB-CG 4.01Å; T111-Y114 WeakPolarHBondContact O-CB 3.23Å; T111-Y114 PolarHBondContact O-N 3.05Å; S112-Y114 PolarHBondContact O-N 3.19Å; Y114-N118 WeakPolarHBondContact O-CB 3.2Å; Y114-N118 PolarHBondContact O-ND2 3.47Å
115	V	98.6	Very high	98.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-95	-37	177.9	-65.6	0	0	0	0	112.9	W39 L42 W43 V88 S112 C113 T119	W39-V115 HydrophobicContact CB-CB 4.2Å; W39-V115 HydrophobicContact CB-CG1 4.39Å; W39-V115 HydrophobicContact CD2-CB 3.97Å; W39-V115 HydrophobicContact CD2-CG2 3.79Å; W39-V115 HydrophobicContact CE3-CG2 4.07Å; W39-V115 HydrophobicContact CG-CB 3.79Å; W39-V115 HydrophobicContact CG-CG1 4.49Å; W39-V115 HydrophobicContact CG-CG2 4.16Å; W39-V115 HydrophobicContact CZ2-CG2 4.27Å; W39-V115 HydrophobicContact CZ3-CG2 4.47Å; W39-V115 PolarHBondContact NE1-O 2.84Å; W39-V115 VanDerWaalsContact NE1-O 3.14Å; L42-V115 HydrophobicContact CB-CG1 4.26Å; W43-V115 HydrophobicContact CD2-CG1 4.08Å; W43-V115 HydrophobicContact CG-CG1 4.32Å; W43-V115 HydrophobicContact CZ2-CG1 3.88Å; W43-V115 HydrophobicContact CZ2-CG2 4.07Å; V88-V115 HydrophobicContact CG1-CG2 3.86Å; V88-V115 HydrophobicContact CG2-CG2 3.98Å; S112-V115 WeakPolarHBondContact O-CG2 3.44Å; S112-V115 PolarHBondContact O-N 3.02Å; C113-V115 VanDerWaalsContact C-N 3.27Å; C113-V115 PolarHBondContact O-N 3.31Å; V115-T119 WeakPolarHBondContact O-CB 3.32Å; V115-T119 PolarHBondContact O-N 3.24Å; V115-T119 PolarHBondContact O-OG1 3.46Å
116	G	98.3	Very high	98.6	Very high	15 Å²	15	54.1 Å²	54.1	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-71	179	0	0	0	0	0	111.6	S112 N118 T119 D120	S112-G116 PolarHBondContact O-N 2.84Å; G116-N118 PolarHBondContact O-N 3.34Å; G116-T119 PolarHBondContact O-N 3.34Å; G116-T119 VanDerWaalsContact O-N 3.16Å; G116-D120 PolarHBondContact O-N 3.2Å
117	D	98.8	Very high	98.5	Very high	88 Å²	88	54 Å²	54	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-42.1	-171.9	-59.8	33.5	0	0	0	112.5	C113 T119 D120 L121	C113-D117 WeakPolarHBondContact O-CB 3.38Å; C113-D117 PolarHBondContact O-N 3.29Å; C113-D117 VanDerWaalsContact O-N 3.15Å; C113-D117 PolarHBondContact SG-OD1 2.95Å; C113-D117 VanDerWaalsContact SG-OD1 3.39Å; D117-T119 VanDerWaalsContact C-N 3.29Å; D117-T119 PolarHBondContact O-N 2.67Å; D117-D120 PolarHBondContact O-N 2.98Å; D117-L121 WeakPolarHBondContact O-CG 3.48Å; D117-L121 PolarHBondContact O-N 3.46Å
118	N	98.9	Very high	98.6	Very high	63 Å²	63	57.8 Å²	57.8	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-33.7	178.1	-71.8	-55.7	0	0	0	112.2	L42 Y114 G116 I122	L42-N118 HydrophobicContact CD1-CB 3.93Å; L42-N118 HydrophobicContact CD2-CB 4.07Å; Y114-N118 WeakPolarHBondContact O-CB 3.2Å; Y114-N118 PolarHBondContact O-ND2 3.47Å; G116-N118 PolarHBondContact O-N 3.34Å; N118-I122 WeakPolarHBondContact O-CD1 3.25Å; N118-I122 VanDerWaalsContact O-CG1 3.26Å; N118-I122 WeakPolarHBondContact O-CG1 3.09Å; N118-I122 PolarHBondContact O-N 3.08Å; N118-I122 VanDerWaalsContact O-N 3.07Å
119	T	98.9	Very high	98.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-68.7	-41.8	174.1	-63.6	0	0	0	0	111	K35 T38 W39 L42 V115 G116 D117 L121 I122 I123	K35-T119 HydrophobicContact CG-CG2 4.2Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; W39-T119 PolarHBondContact NE1-OG1 3.04Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.49Å; V115-T119 WeakPolarHBondContact O-CB 3.32Å; V115-T119 PolarHBondContact O-N 3.24Å; V115-T119 PolarHBondContact O-OG1 3.46Å; G116-T119 PolarHBondContact O-N 3.34Å; G116-T119 VanDerWaalsContact O-N 3.16Å; D117-T119 VanDerWaalsContact C-N 3.29Å; D117-T119 PolarHBondContact O-N 2.67Å; T119-L121 VanDerWaalsContact C-N 3.32Å; T119-L121 PolarHBondContact O-N 3.44Å; T119-I122 PolarHBondContact O-N 2.71Å; T119-I122 VanDerWaalsContact O-N 3.15Å; T119-I123 HydrophobicContact CG2-CD1 3.82Å; T119-I123 HydrophobicContact CG2-CG1 4.3Å; T119-I123 WeakPolarHBondContact O-CB 3.41Å; T119-I123 VanDerWaalsContact O-CG1 3.32Å; T119-I123 WeakPolarHBondContact O-CG1 3.33Å; T119-I123 PolarHBondContact O-N 3.48Å
120	D	98.8	Very high	98.6	Very high	82 Å²	82	57 Å²	57	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-41.9	176.8	-70.7	-13.7	0	0	0	111.1	G116 D117 I122 I123 L124	G116-D120 PolarHBondContact O-N 3.2Å; D117-D120 PolarHBondContact O-N 2.98Å; D120-I122 VanDerWaalsContact C-N 3.34Å; D120-I122 PolarHBondContact O-N 3.47Å; D120-I123 WeakPolarHBondContact O-CB 3.45Å; D120-I123 PolarHBondContact O-N 3.31Å; D120-L124 WeakPolarHBondContact O-CB 3.47Å; D120-L124 VanDerWaalsContact O-CG 3.24Å; D120-L124 WeakPolarHBondContact O-CG 3.18Å; D120-L124 PolarHBondContact O-N 2.98Å
121	L	98.9	Very high	98.5	Very high	110 Å²	110	60 Å²	60	58%	0.576	32%	0.32	S	S	*	.	H	α-helix	trans	-60.5	-41.7	173.5	-70.4	172.5	0	0	0	112.4	D117 T119 L124 R125	D117-L121 WeakPolarHBondContact O-CG 3.48Å; D117-L121 PolarHBondContact O-N 3.46Å; T119-L121 VanDerWaalsContact C-N 3.32Å; T119-L121 PolarHBondContact O-N 3.44Å; L121-L124 PolarHBondContact O-N 3.07Å; L121-R125 WeakPolarHBondContact O-CB 3.44Å; L121-R125 PolarHBondContact O-N 3.15Å
122	I	98.8	Very high	98.5	Very high	28 Å²	28	60.6 Å²	60.6	14%	0.144	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-43.6	175.6	-70.2	164.7	0	0	0	110.9	T38 L42 W45 N118 T119 D120 R125 N126	T38-I122 HydrophobicContact CG2-CD1 3.87Å; T38-I122 HydrophobicContact CG2-CG2 4.38Å; L42-I122 HydrophobicContact CD2-CD1 4.37Å; W45-I122 HydrophobicContact CZ3-CD1 4.46Å; N118-I122 WeakPolarHBondContact O-CD1 3.25Å; N118-I122 VanDerWaalsContact O-CG1 3.26Å; N118-I122 WeakPolarHBondContact O-CG1 3.09Å; N118-I122 PolarHBondContact O-N 3.08Å; N118-I122 VanDerWaalsContact O-N 3.07Å; T119-I122 PolarHBondContact O-N 2.71Å; T119-I122 VanDerWaalsContact O-N 3.15Å; D120-I122 VanDerWaalsContact C-N 3.34Å; D120-I122 PolarHBondContact O-N 3.47Å; I122-R125 PolarHBondContact O-N 3.39Å; I122-N126 WeakPolarHBondContact O-CB 3.41Å; I122-N126 PolarHBondContact O-N 3.43Å; I122-N126 PolarHBondContact O-ND2 3.12Å; I122-N126 PolarHBondContact O-OD1 2.89Å
123	I	98.8	Very high	98.4	Very high	11 Å²	11	62 Å²	62	6%	0.056	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-49.3	176.4	-75	172	0	0	0	110.2	V29 F30 Y34 T119 D120 R125 N126 A127	V29-I123 HydrophobicContact CG1-CB 4.41Å; V29-I123 HydrophobicContact CG1-CG2 3.94Å; F30-I123 HydrophobicContact CD1-CG2 3.63Å; F30-I123 HydrophobicContact CE1-CG2 3.33Å; F30-I123 HydrophobicContact CE2-CG2 4.41Å; F30-I123 HydrophobicContact CG-CG2 4.3Å; F30-I123 HydrophobicContact CZ-CG2 3.77Å; Y34-I123 HydrophobicContact CD1-CG1 3.98Å; Y34-I123 HydrophobicContact CE1-CG1 4.01Å; T119-I123 HydrophobicContact CG2-CD1 3.82Å; T119-I123 HydrophobicContact CG2-CG1 4.3Å; T119-I123 WeakPolarHBondContact O-CB 3.41Å; T119-I123 VanDerWaalsContact O-CG1 3.32Å; T119-I123 WeakPolarHBondContact O-CG1 3.33Å; T119-I123 PolarHBondContact O-N 3.48Å; D120-I123 WeakPolarHBondContact O-CB 3.45Å; D120-I123 PolarHBondContact O-N 3.31Å; I123-R125 PolarHBondContact O-N 3.38Å; I123-N126 PolarHBondContact O-N 3.03Å; I123-A127 WeakPolarHBondContact O-CB 3.44Å; I123-A127 PolarHBondContact O-N 3.21Å
124	L	98.8	Very high	98.2	Very high	99 Å²	99	64 Å²	64	52%	0.518	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-45.2	180	-70.7	173.5	0	0	0	111.8	D120 L121 A127 L128	D120-L124 WeakPolarHBondContact O-CB 3.47Å; D120-L124 VanDerWaalsContact O-CG 3.24Å; D120-L124 WeakPolarHBondContact O-CG 3.18Å; D120-L124 PolarHBondContact O-N 2.98Å; L121-L124 PolarHBondContact O-N 3.07Å; L124-A127 PolarHBondContact O-N 3.11Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 2.95Å
125	R	98.8	Very high	97.9	Very high	142 Å²	142	64.2 Å²	64.2	54%	0.536	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-50.4	175.6	-174.4	-163.3	68.1	-158.9	-3.8	111.2	L121 I122 I123 A127 L128 D129	L121-R125 WeakPolarHBondContact O-CB 3.44Å; L121-R125 PolarHBondContact O-N 3.15Å; I122-R125 PolarHBondContact O-N 3.39Å; I123-R125 PolarHBondContact O-N 3.38Å; R125-A127 VanDerWaalsContact C-N 3.3Å; R125-A127 PolarHBondContact O-N 3.02Å; R125-L128 WeakPolarHBondContact O-CB 3.34Å; R125-L128 PolarHBondContact O-N 2.61Å; R125-L128 VanDerWaalsContact O-N 3.11Å; R125-D129 PolarHBondContact O-N 3.09Å
126	N	98.6	Very high	97.6	Very high	25 Å²	25	68.2 Å²	68.2	13%	0.134	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-32.2	-177.4	-62.1	-17.3	0	0	0	112.1	V29 Y34 I122 I123 L128 D129 L130	V29-N126 HydrophobicContact CG1-CB 4.32Å; V29-N126 HydrophobicContact CG2-CB 4.4Å; Y34-N126 PolarHBondContact OH-ND2 3.14Å; I122-N126 WeakPolarHBondContact O-CB 3.41Å; I122-N126 PolarHBondContact O-N 3.43Å; I122-N126 PolarHBondContact O-ND2 3.12Å; I122-N126 PolarHBondContact O-OD1 2.89Å; I123-N126 PolarHBondContact O-N 3.03Å; N126-L128 VanDerWaalsContact C-N 3.35Å; N126-D129 PolarHBondContact O-N 2.85Å; N126-L130 WeakPolarHBondContact O-CG 3.48Å; N126-L130 PolarHBondContact O-N 3.36Å; N126-L130 VanDerWaalsContact O-N 3.12Å
127	A	98.6	Very high	97.3	Very high	9 Å²	9	71.7 Å²	71.7	7%	0.074	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-41.5	171.8	0	0	0	0	0	111.2	M26 F30 I123 L124 R125 L130 L131	M26-A127 HydrophobicContact CE-CB 4.2Å; M26-A127 HydrophobicContact SD-CB 3.87Å; F30-A127 HydrophobicContact CE2-CB 3.88Å; F30-A127 HydrophobicContact CZ-CB 4.07Å; I123-A127 WeakPolarHBondContact O-CB 3.44Å; I123-A127 PolarHBondContact O-N 3.21Å; L124-A127 PolarHBondContact O-N 3.11Å; R125-A127 VanDerWaalsContact C-N 3.3Å; R125-A127 PolarHBondContact O-N 3.02Å; A127-L130 WeakPolarHBondContact O-CB 3.08Å; A127-L130 PolarHBondContact O-N 3.23Å; A127-L131 WeakPolarHBondContact O-CG 3.49Å; A127-L131 PolarHBondContact O-N 3.09Å; A127-L131 VanDerWaalsContact O-N 3.09Å
128	L	98.6	Very high	96.7	Very high	104 Å²	104	70.5 Å²	70.5	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-63.1	-41.9	173.6	-69.6	169.3	0	0	0	111.8	L124 R125 N126 L130 L131 L132	L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 2.95Å; R125-L128 WeakPolarHBondContact O-CB 3.34Å; R125-L128 PolarHBondContact O-N 2.61Å; R125-L128 VanDerWaalsContact O-N 3.11Å; N126-L128 VanDerWaalsContact C-N 3.35Å; L128-L130 PolarHBondContact O-N 3.22Å; L128-L131 PolarHBondContact O-N 2.94Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 3.01Å
129	D	98.4	Very high	96.2	Very high	88 Å²	88	72.2 Å²	72.2	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-30.6	175.5	-66.5	-29.4	0	0	0	112.3	R125 N126 P133	R125-D129 PolarHBondContact O-N 3.09Å; N126-D129 PolarHBondContact O-N 2.85Å; D129-P133 WeakPolarHBondContact O-CD 3.09Å
130	L	98	Very high	95.5	Very high	48 Å²	48	77.9 Å²	77.9	25%	0.251	43%	0.425	S	S	.	.	H	α-helix	trans	-78.6	-29.1	173.9	-68.9	177.6	0	0	0	113.7	E25 M26 V29 N126 A127 L128 K134	E25-L130 HydrophobicContact CB-CD1 4.07Å; E25-L130 HydrophobicContact CB-CD2 4.15Å; M26-L130 HydrophobicContact CB-CD1 4.38Å; M26-L130 HydrophobicContact CE-CB 3.85Å; M26-L130 HydrophobicContact CE-CD1 4.12Å; M26-L130 HydrophobicContact SD-CD1 4.25Å; V29-L130 HydrophobicContact CG2-CD1 3.93Å; N126-L130 WeakPolarHBondContact O-CG 3.48Å; N126-L130 PolarHBondContact O-N 3.36Å; N126-L130 VanDerWaalsContact O-N 3.12Å; A127-L130 WeakPolarHBondContact O-CB 3.08Å; A127-L130 PolarHBondContact O-N 3.23Å; L128-L130 PolarHBondContact O-N 3.22Å; L130-K134 WeakPolarHBondContact O-CD 3.4Å
131	L	97.9	Very high	94.8	Very high	90 Å²	90	76.8 Å²	76.8	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-82.9	-40.9	-177.2	-71.7	173.9	0	0	0	112.3	M26 A127 L128 K134 A135	M26-L131 HydrophobicContact CE-CD1 4.44Å; M26-L131 HydrophobicContact CE-CD2 3.95Å; M26-L131 HydrophobicContact CE-CG 3.84Å; A127-L131 WeakPolarHBondContact O-CG 3.49Å; A127-L131 PolarHBondContact O-N 3.09Å; A127-L131 VanDerWaalsContact O-N 3.09Å; L128-L131 PolarHBondContact O-N 2.94Å; L131-K134 PolarHBondContact O-N 3.13Å; L131-K134 VanDerWaalsContact O-N 3.13Å; L131-A135 PolarHBondContact O-N 2.95Å
132	L	97.1	Very high	93.9	Very high	106 Å²	106	79.3 Å²	79.3	56%	0.555	43%	0.426	S	S	*	.	H	α-helix	trans	-55.4	-50.4	-174	-75.6	168.1	0	0	0	113.2	L128 K134 A135 C136	L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 3.01Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 3.45Å; L132-A135 PolarHBondContact O-N 2.98Å; L132-C136 PolarHBondContact O-N 3.21Å; L132-C136 PolarHBondContact O-SG 3.31Å; L132-C136 VanDerWaalsContact O-SG 3.38Å
133	P	96.3	Very high	93.1	Very high	77 Å²	77	83.5 Å²	83.5	50%	0.5	44%	0.444	S	S	.	.	H	α-helix	trans	-62	-34.5	177.7	-24.2	34.3	0	0	0	114.1	D129 T137	D129-P133 WeakPolarHBondContact O-CD 3.09Å; P133-T137 PolarHBondContact O-N 3.02Å; P133-T137 PolarHBondContact O-OG1 3.06Å
134	K	94.1	Very high	92.2	Very high	103 Å²	103	85.9 Å²	85.9	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-70.5	-41.1	179.1	-64.6	178.6	-177.5	178.2	0	110.8	S23 L130 L131 L132 T137 A138	S23-K134 PolarHBondContact OG-NZ 3.13Å; S23-K134 VanDerWaalsContact OG-NZ 3.09Å; L130-K134 WeakPolarHBondContact O-CD 3.4Å; L131-K134 PolarHBondContact O-N 3.13Å; L131-K134 VanDerWaalsContact O-N 3.13Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 3.45Å; K134-T137 PolarHBondContact O-N 3.36Å; K134-A138 PolarHBondContact O-N 3.05Å
135	A	92.7	Very high	91.1	Very high	61 Å²	61	85.8 Å²	85.8	50%	0.504	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-47.3	174.9	0	0	0	0	0	111.4	L131 L132 T137 A138 D139	L131-A135 PolarHBondContact O-N 2.95Å; L132-A135 PolarHBondContact O-N 2.98Å; A135-T137 VanDerWaalsContact C-N 3.3Å; A135-T137 PolarHBondContact O-N 3.35Å; A135-A138 PolarHBondContact O-N 3.28Å; A135-D139 PolarHBondContact O-N 3.38Å
136	C	91.3	Very high	90.2	Very high	83 Å²	83	84.2 Å²	84.2	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-60.9	-37.8	176.4	-66.2	0	0	0	0	112.8	L132 D139 H140	L132-C136 PolarHBondContact O-N 3.21Å; L132-C136 PolarHBondContact O-SG 3.31Å; L132-C136 VanDerWaalsContact O-SG 3.38Å; C136-D139 PolarHBondContact O-N 3.14Å; C136-H140 PolarHBondContact O-N 3.47Å
137	T	91.9	Very high	89.1	Confident	89 Å²	89	87 Å²	87	55%	0.546	48%	0.483	S	S	.	.	H	α-helix	trans	-66.5	-41	177.4	-58.4	0	0	0	0	111.4	P133 K134 A135 S141	P133-T137 PolarHBondContact O-N 3.02Å; P133-T137 PolarHBondContact O-OG1 3.06Å; K134-T137 PolarHBondContact O-N 3.36Å; A135-T137 VanDerWaalsContact C-N 3.3Å; A135-T137 PolarHBondContact O-N 3.35Å; T137-S141 WeakPolarHBondContact O-CB 3.34Å; T137-S141 PolarHBondContact O-N 3.3Å; T137-S141 PolarHBondContact O-OG 3.23Å
138	A	87.4	Confident	87.9	Confident	62 Å²	62	92.8 Å²	92.8	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-63.9	-43.3	176.6	0	0	0	0	0	111.5	K134 A135 S141 W142	K134-A138 PolarHBondContact O-N 3.05Å; A135-A138 PolarHBondContact O-N 3.28Å; A138-S141 WeakPolarHBondContact O-CB 3.48Å; A138-S141 PolarHBondContact O-N 3.32Å; A138-W142 WeakPolarHBondContact O-CB 3.36Å; A138-W142 PolarHBondContact O-N 3.37Å
139	D	87.1	Confident	86.2	Confident	100 Å²	100	93 Å²	93	54%	0.535	51%	0.513	S	S	.	.	H	α-helix	trans	-59.3	-50.9	176.6	-168.5	49.5	0	0	0	111.6	A135 C136 S141 W142 E143	A135-D139 PolarHBondContact O-N 3.38Å; C136-D139 PolarHBondContact O-N 3.14Å; D139-S141 VanDerWaalsContact C-N 3.3Å; D139-S141 PolarHBondContact O-N 2.74Å; D139-W142 WeakPolarHBondContact O-CA 3.4Å; D139-W142 WeakPolarHBondContact O-CB 3.45Å; D139-W142 PolarHBondContact O-N 2.94Å; D139-E143 PolarHBondContact O-N 3.03Å
140	H	85.1	Confident	84.3	Confident	119 Å²	119	94.5 Å²	94.5	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-61.3	-37.6	176.7	-175.4	58.1	0	0	0	113.2	C136 W142 T144	C136-H140 PolarHBondContact O-N 3.47Å; H140-W142 VanDerWaalsContact C-N 3.29Å; H140-W142 PolarHBondContact O-N 3.03Å; H140-T144 WeakPolarHBondContact O-CB 3.35Å; H140-T144 PolarHBondContact O-N 3.31Å; H140-T144 PolarHBondContact O-OG1 3.07Å
141	S	84.1	Confident	82.3	Confident	58 Å²	58	95.6 Å²	95.6	41%	0.406	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-38.4	175.2	-57.9	0	0	0	0	111.1	T137 A138 D139 T144 L145	T137-S141 WeakPolarHBondContact O-CB 3.34Å; T137-S141 PolarHBondContact O-N 3.3Å; T137-S141 PolarHBondContact O-OG 3.23Å; A138-S141 WeakPolarHBondContact O-CB 3.48Å; A138-S141 PolarHBondContact O-N 3.32Å; D139-S141 VanDerWaalsContact C-N 3.3Å; D139-S141 PolarHBondContact O-N 2.74Å; S141-T144 PolarHBondContact O-N 2.83Å; S141-L145 WeakPolarHBondContact O-CG 3.39Å; S141-L145 PolarHBondContact O-N 2.97Å
142	W	78.9	Confident	80.3	Confident	164 Å²	164	95 Å²	95	62%	0.621	56%	0.557	S	S	*	*	H	α-helix	trans	-68.1	-45.2	178.2	-160.7	-114.5	0	0	0	112.2	A138 D139 H140 T144 L145 L146	A138-W142 WeakPolarHBondContact O-CB 3.36Å; A138-W142 PolarHBondContact O-N 3.37Å; D139-W142 WeakPolarHBondContact O-CA 3.4Å; D139-W142 WeakPolarHBondContact O-CB 3.45Å; D139-W142 PolarHBondContact O-N 2.94Å; H140-W142 VanDerWaalsContact C-N 3.29Å; H140-W142 PolarHBondContact O-N 3.03Å; W142-T144 VanDerWaalsContact C-N 3.28Å; W142-T144 PolarHBondContact O-N 2.92Å; W142-L145 HydrophobicContact CE3-CD1 4.06Å; W142-L145 HydrophobicContact CZ3-CD1 4.24Å; W142-L145 PolarHBondContact O-N 3.49Å; W142-L146 WeakPolarHBondContact O-CG 3.48Å; W142-L146 PolarHBondContact O-N 3.45Å
143	E	81.7	Confident	78.3	Confident	115 Å²	115	96.9 Å²	96.9	54%	0.537	57%	0.567	S	S	.	*	H	α-helix	trans	-57.1	-42.7	173.2	-69.5	-176.3	149	0	0	111.8	D139 L146 S147	D139-E143 PolarHBondContact O-N 3.03Å; E143-L146 PolarHBondContact O-N 3.42Å; E143-S147 PolarHBondContact O-N 3.22Å
144	T	81	Confident	76.1	Confident	61 Å²	61	102 Å²	102	37%	0.374	58%	0.584	S	S	.	*	H	α-helix	trans	-61.6	-47.6	177	-57.7	0	0	0	0	111.3	H140 S141 W142 L146 S147 L148	H140-T144 WeakPolarHBondContact O-CB 3.35Å; H140-T144 PolarHBondContact O-N 3.31Å; H140-T144 PolarHBondContact O-OG1 3.07Å; S141-T144 PolarHBondContact O-N 2.83Å; W142-T144 VanDerWaalsContact C-N 3.28Å; W142-T144 PolarHBondContact O-N 2.92Å; T144-L146 PolarHBondContact O-N 3.08Å; T144-S147 PolarHBondContact O-N 3.29Å; T144-S147 PolarHBondContact O-OG 2.99Å; T144-L148 HydrophobicContact CG2-CD1 4.22Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 3.03Å
145	L	76.3	Confident	74.3	Confident	97 Å²	97	100.4 Å²	100.4	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-61.3	-42.7	178.1	-72.8	170.4	0	0	0	112.2	S141 W142 S147 L148 D149	S141-L145 WeakPolarHBondContact O-CG 3.39Å; S141-L145 PolarHBondContact O-N 2.97Å; W142-L145 HydrophobicContact CE3-CD1 4.06Å; W142-L145 HydrophobicContact CZ3-CD1 4.24Å; W142-L145 PolarHBondContact O-N 3.49Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.46Å; L145-L148 PolarHBondContact O-N 3.4Å; L145-L148 VanDerWaalsContact O-N 3.17Å; L145-D149 PolarHBondContact O-N 3.17Å; L145-D149 VanDerWaalsContact O-N 3.08Å
146	L	78.7	Confident	72.1	Confident	109 Å²	109	101.7 Å²	101.7	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-36.5	177.1	-71.7	172.4	0	0	0	112.4	W142 E143 T144 L148 D149	W142-L146 WeakPolarHBondContact O-CG 3.48Å; W142-L146 PolarHBondContact O-N 3.45Å; E143-L146 PolarHBondContact O-N 3.42Å; T144-L146 PolarHBondContact O-N 3.08Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 3.25Å; L146-D149 PolarHBondContact O-N 2.85Å
147	S	75.9	Confident	70	Confident	85 Å²	85	103.2 Å²	103.2	59%	0.594	61%	0.61	S	S	*	*	H	α-helix	trans	-68.3	-27.8	176.1	75.7	0	0	0	0	113.5	E143 T144 L145	E143-S147 PolarHBondContact O-N 3.22Å; T144-S147 PolarHBondContact O-N 3.29Å; T144-S147 PolarHBondContact O-OG 2.99Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.46Å
148	L	73.8	Confident	67.7	Low	130 Å²	130	108.1 Å²	108.1	68%	0.681	63%	0.627	S	S	*	*	H	α-helix	trans	-83.1	-28.2	179	-67.6	170.5	0	0	0	112.4	T144 L145 L146 S150	T144-L148 HydrophobicContact CG2-CD1 4.22Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 3.03Å; L145-L148 PolarHBondContact O-N 3.4Å; L145-L148 VanDerWaalsContact O-N 3.17Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 3.25Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 2.73Å
149	D	63.3	Low	65.8	Low	107 Å²	107	113.3 Å²	113.3	57%	0.572	65%	0.646	S	S	*	*			trans	-92.1	36.4	-173.9	-158.6	16.3	0	0	0	114.6	L145 L146 G151	L145-D149 PolarHBondContact O-N 3.17Å; L145-D149 VanDerWaalsContact O-N 3.08Å; L146-D149 PolarHBondContact O-N 2.85Å; D149-G151 PolarHBondContact O-N 3.05Å
150	S	57	Low	63.7	Low	120 Å²	120	117.5 Å²	117.5	84%	0.839	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	11.2	173.5	51.3	0	0	0	0	114.6	L148	L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 2.73Å
151	G	57.6	Low	61.8	Low	72 Å²	72	116.3 Å²	116.3	74%	0.742	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-9.8	-167.3	0	0	0	0	0	118.3	D149	D149-G151 PolarHBondContact O-N 3.05Å
152	S	54.9	Low	59.4	Low	78 Å²	78	119.3 Å²	119.3	55%	0.545	69%	0.692	S	S	.	*			trans	-145.4	68.6	-174.9	-174.9	0	0	0	0	115.2	H154	S152-H154 VanDerWaalsContact C-N 3.3Å; S152-H154 PolarHBondContact O-N 3.04Å
153	L	54.7	Low	57.9	Low	145 Å²	145	117 Å²	117	76%	0.759	70%	0.698	S	S	*	*			trans	-77	78.4	160.1	-70.2	168.4	0	0	0	109.9
154	H	50.7	Low	56.3	Low	184 Å²	184	126.8 Å²	126.8	85%	0.852	73%	0.73	S	S	*	*	S	Bend	trans	-125.9	47.1	168.2	-89	51.3	0	0	0	111	S152	S152-H154 VanDerWaalsContact C-N 3.3Å; S152-H154 PolarHBondContact O-N 3.04Å
155	G	55.5	Low	55.1	Low	69 Å²	69	130.1 Å²	130.1	71%	0.711	75%	0.748	S	S	*	*	S	Bend	trans	-177.1	21.5	176.6	0	0	0	0	0	118.2
156	S	46.6	Very low	54	Low	89 Å²	89	131.8 Å²	131.8	62%	0.622	76%	0.761	S	S	*	*			trans	-101	121.5	178.9	-55.1	0	0	0	0	111.6
157	P	46.8	Very low	52.6	Low	114 Å²	114	133.1 Å²	133.1	74%	0.74	77%	0.771	S	S	*	*			trans	-70.8	133.2	148.3	28.5	-24.9	0	0	0	108	L159	P157-L159 PolarHBondContact O-N 2.84Å; P157-L159 VanDerWaalsContact O-N 3.14Å
158	E	44.8	Very low	51.2	Low	193 Å²	193	135.9 Å²	135.9	90%	0.902	78%	0.782	S	S	*	*			trans	-52.6	114.5	178.6	-71.5	169.3	147.3	0	0	110.8	E160	E158-E160 PolarHBondContact O-N 3.49Å
159	L	48.2	Very low	49.8	Very low	171 Å²	171	136.3 Å²	136.3	90%	0.895	79%	0.788	S	S	*	*			trans	-85.8	102.5	165.3	-80.6	165.6	0	0	0	107.5	P157 A161	P157-L159 PolarHBondContact O-N 2.84Å; P157-L159 VanDerWaalsContact O-N 3.14Å; L159-A161 PolarHBondContact O-N 3.45Å
160	E	41.8	Very low	48.9	Very low	188 Å²	188	138.2 Å²	138.2	88%	0.879	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.7	164.5	-79	-168.4	146.2	0	0	109.3	E158 C162	E158-E160 PolarHBondContact O-N 3.49Å; E160-C162 PolarHBondContact O-N 3.28Å
161	A	45.2	Very low	48.3	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-59.6	125	179.3	0	0	0	0	0	110.7	L159 P163	L159-A161 PolarHBondContact O-N 3.45Å; A161-P163 WeakPolarHBondContact O-CD 3.5Å
162	C	34.8	Very low	47.6	Very low	120 Å²	120	144.7 Å²	144.7	81%	0.811	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-65.2	118.2	166.5	-172.1	0	0	0	0	108.6	E160	E160-C162 PolarHBondContact O-N 3.28Å
163	P	46.9	Very low	47	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-69.4	142.2	180	25.3	-27.9	0	0	0	110.7	A161	A161-P163 WeakPolarHBondContact O-CD 3.5Å
164	R	48.3	Very low	46.3	Very low	321 Å²	321	150.7 Å²	150.7	100%	1.211	83%	0.832	S	S	*	*			trans	-69.2	0	176.4	-67.1	-175.5	-171.1	-165.1	1.7	112.2

Retrieved 164 of 164 residues in 181.4 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).