A0A096LP72_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 A0A096LP72, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 149 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	59	Low	248 Å²	248	107.2 Å²	107.2	100%	1.222	70%	0.695	S	S	*	*				0	109.6	0	-68.8	-175.1	179.7	0	0	106.3	A3	M1-A3 PolarHBondContact O-N 3.3Å
2	A	33.7	Very low	61.9	Low	109 Å²	109	103.6 Å²	103.6	90%	0.901	68%	0.675	S	S	*	*			trans	-67.4	124.8	-173.8	0	0	0	0	0	109.9	G4	A2-G4 PolarHBondContact O-N 3.26Å; A2-G4 VanDerWaalsContact O-N 3.1Å
3	A	37.3	Very low	64.3	Low	84 Å²	84	110.6 Å²	110.6	69%	0.694	68%	0.682	S	S	*	*			trans	-64.6	106.9	174.6	0	0	0	0	0	108.7	M1 G5	M1-A3 PolarHBondContact O-N 3.3Å; A3-G5 PolarHBondContact O-N 2.88Å; A3-G5 VanDerWaalsContact O-N 3.07Å
4	G	37	Very low	66.2	Low	75 Å²	75	109.4 Å²	109.4	77%	0.773	66%	0.658	S	S	*	*			trans	-70	99	172.6	0	0	0	0	0	109.3	A2	A2-G4 PolarHBondContact O-N 3.26Å; A2-G4 VanDerWaalsContact O-N 3.1Å
5	G	50	Low	68	Low	42 Å²	42	105 Å²	105	43%	0.433	64%	0.635	S	S	.	*			trans	-69.2	141.2	165.5	0	0	0	0	0	109.7	A3 H7	A3-G5 PolarHBondContact O-N 2.88Å; A3-G5 VanDerWaalsContact O-N 3.07Å; G5-H7 PolarHBondContact O-CD2 3.07Å; G5-H7 PolarHBondContact O-N 3.35Å
6	D	56.8	Low	69.5	Low	161 Å²	161	102.1 Å²	102.1	86%	0.861	62%	0.619	S	S	*	*			trans	-61.8	100.9	168.4	178	16.9	0	0	0	108.4	G8	D6-G8 PolarHBondContact O-N 3.25Å; D6-G8 PolarHBondContact OD1-N 2.97Å
7	H	61.1	Low	70.9	Confident	115 Å²	115	102.8 Å²	102.8	53%	0.532	62%	0.617	S	S	.	*			trans	-78.5	4.8	-174.5	-67.5	-49.4	0	0	0	112.7	G5 R14	G5-H7 PolarHBondContact O-CD2 3.07Å; G5-H7 PolarHBondContact O-N 3.35Å; H7-R14 WeakPolarHBondContact O-CD 3.39Å; H7-R14 PolarHBondContact O-NH1 2.78Å
8	G	72.3	Confident	72.1	Confident	37 Å²	37	100.5 Å²	100.5	38%	0.381	61%	0.612	S	S	.	*			trans	62.4	167.5	-176.6	0	0	0	0	0	113.3	D6 R14	D6-G8 PolarHBondContact O-N 3.25Å; D6-G8 PolarHBondContact OD1-N 2.97Å; G8-R14 PolarHBondContact O-NH1 3.49Å
9	S	87.4	Confident	72.9	Confident	56 Å²	56	98 Å²	98	39%	0.392	60%	0.599	S	S	.	*			trans	-69	135.1	-179.4	177.8	0	0	0	0	111.8	D11 S12	S9-D11 PolarHBondContact O-N 3.48Å; S9-D11 PolarHBondContact OG-N 3.47Å; S9-S12 PolarHBondContact O-N 3.17Å; S9-S12 PolarHBondContact O-OG 2.83Å
10	P	87.8	Confident	73.7	Confident	99 Å²	99	102.6 Å²	102.6	64%	0.643	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-16.8	173.7	30.5	-36.2	0	0	0	113.3	S12	P10-S12 PolarHBondContact O-N 3.02Å
11	D	93.7	Very high	74.6	Confident	153 Å²	153	104.8 Å²	104.8	82%	0.818	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-7.7	178.3	-56.6	-30	0	0	0	112.5	S9	S9-D11 PolarHBondContact O-N 3.48Å; S9-D11 PolarHBondContact OG-N 3.47Å
12	S	94.3	Very high	77.4	Confident	64 Å²	64	94.8 Å²	94.8	45%	0.448	56%	0.561	S	S	.	*	S	Bend	trans	-115.8	154.2	179.4	64.3	0	0	0	0	111.6	S9 P10 R14	S9-S12 PolarHBondContact O-N 3.17Å; S9-S12 PolarHBondContact O-OG 2.83Å; P10-S12 PolarHBondContact O-N 3.02Å; S12-R14 PolarHBondContact O-N 2.74Å
13	Y	92.4	Very high	80.2	Confident	195 Å²	195	91.4 Å²	91.4	77%	0.765	53%	0.53	S	S	*	.			trans	-60.2	136.1	173.4	168.1	-100.2	0	0	0	110.5
14	R	91.3	Very high	82.8	Confident	93 Å²	93	91.4 Å²	91.4	35%	0.351	52%	0.523	S	S	.	.			trans	-133.2	135.9	176	-63.9	-179.9	-70.1	173.9	3.3	109	H7 G8 S12	H7-R14 WeakPolarHBondContact O-CD 3.39Å; H7-R14 PolarHBondContact O-NH1 2.78Å; G8-R14 PolarHBondContact O-NH1 3.49Å; S12-R14 PolarHBondContact O-N 2.74Å
15	S	92.8	Very high	85.4	Confident	44 Å²	44	93 Å²	93	31%	0.308	51%	0.51	S	S	.	.			trans	-65.6	124.5	175.5	-179.8	0	0	0	0	109.5	L17 A18 S19	S15-L17 PolarHBondContact O-N 2.81Å; S15-L17 PolarHBondContact OG-N 3.15Å; S15-A18 PolarHBondContact O-N 3.33Å; S15-S19 PolarHBondContact O-N 2.65Å; S15-S19 PolarHBondContact O-OG 3.12Å
16	P	93.1	Very high	87.4	Confident	59 Å²	59	92.3 Å²	92.3	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-21	177.8	28.9	-36.1	0	0	0	112	R20 Y21	P16-R20 WeakPolarHBondContact O-CB 3.4Å; P16-R20 PolarHBondContact O-N 3.42Å; P16-Y21 HydrophobicContact CB-CD2 4.06Å; P16-Y21 HydrophobicContact CB-CE2 3.77Å; P16-Y21 HydrophobicContact CG-CE2 4.43Å; P16-Y21 VanDerWaalsContact O-CD2 3.22Å; P16-Y21 WeakPolarHBondContact O-CD2 3.32Å; P16-Y21 PolarHBondContact O-N 3.05Å; P16-Y21 VanDerWaalsContact O-N 3.14Å
17	L	93.1	Very high	89.1	Confident	113 Å²	113	86.6 Å²	86.6	59%	0.592	47%	0.469	S	S	*	.	I	π-helix	trans	-58.5	-50.6	170	-66.1	174.5	0	0	0	110.4	S15 Y21 A22	S15-L17 PolarHBondContact O-N 2.81Å; S15-L17 PolarHBondContact OG-N 3.15Å; L17-Y21 PolarHBondContact O-N 3.48Å; L17-A22 WeakPolarHBondContact O-CB 3.29Å; L17-A22 PolarHBondContact O-N 2.82Å
18	A	91.4	Very high	90.7	Very high	62 Å²	62	85 Å²	85	51%	0.512	46%	0.461	S	S	.	.	I	π-helix	trans	-75.2	-36.9	-178.4	0	0	0	0	0	113.2	S15	S15-A18 PolarHBondContact O-N 3.33Å
19	S	88.3	Confident	91.7	Very high	53 Å²	53	83.9 Å²	83.9	37%	0.371	45%	0.446	S	S	.	.	I	π-helix	trans	-88.8	-14.7	-172	72.1	0	0	0	0	114.8	S15	S15-S19 PolarHBondContact O-N 2.65Å; S15-S19 PolarHBondContact O-OG 3.12Å
20	R	89.2	Confident	92	Very high	190 Å²	190	87.6 Å²	87.6	72%	0.717	46%	0.455	S	S	*	.	I	π-helix	trans	-142.5	-40.3	-170.6	-173.8	176.8	179.2	-178.8	1.3	115.1	P16	P16-R20 WeakPolarHBondContact O-CB 3.4Å; P16-R20 PolarHBondContact O-N 3.42Å
21	Y	91.5	Very high	92.4	Very high	148 Å²	148	84.3 Å²	84.3	58%	0.58	44%	0.435	S	S	*	.	I	π-helix	trans	-103.1	-42.9	-164.3	-61.1	-55.6	0	0	0	114.8	P16 L17	P16-Y21 HydrophobicContact CB-CD2 4.06Å; P16-Y21 HydrophobicContact CB-CE2 3.77Å; P16-Y21 HydrophobicContact CG-CE2 4.43Å; P16-Y21 VanDerWaalsContact O-CD2 3.22Å; P16-Y21 WeakPolarHBondContact O-CD2 3.32Å; P16-Y21 PolarHBondContact O-N 3.05Å; P16-Y21 VanDerWaalsContact O-N 3.14Å; L17-Y21 PolarHBondContact O-N 3.48Å
22	A	91.4	Very high	92.5	Very high	39 Å²	39	81.8 Å²	81.8	32%	0.322	42%	0.421	S	S	.	.	S	Bend	trans	-81	150.3	-176.3	0	0	0	0	0	111.6	L17	L17-A22 WeakPolarHBondContact O-CB 3.29Å; L17-A22 PolarHBondContact O-N 2.82Å
23	S	92.3	Very high	92.5	Very high	37 Å²	37	83.8 Å²	83.8	26%	0.259	42%	0.419	S	S	.	.			trans	-67.4	151.8	174.7	64.4	0	0	0	0	111.3	E25 M26 C27	S23-E25 WeakPolarHBondContact CB-OE2 3.36Å; S23-E25 PolarHBondContact O-N 3.23Å; S23-M26 PolarHBondContact O-N 2.97Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 WeakPolarHBondContact OG-CB 3.47Å; S23-M26 PolarHBondContact OG-N 3.39Å; S23-C27 PolarHBondContact O-N 3.43Å; S23-C27 PolarHBondContact O-SG 2.93Å; S23-C27 VanDerWaalsContact O-SG 3.41Å
24	P	90.9	Very high	92.7	Very high	84 Å²	84	75.6 Å²	75.6	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-55.2	-35.5	175.7	-25.8	35.1	0	0	0	113.2	C27 F28	P24-C27 PolarHBondContact O-N 3.14Å; P24-F28 WeakPolarHBondContact O-CB 3.42Å; P24-F28 PolarHBondContact O-N 3.24Å
25	E	92.4	Very high	92.9	Very high	108 Å²	108	74.3 Å²	74.3	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-45.5	178.4	-60.3	71.4	-154.8	0	0	110.8	S23 F28 V29 L130	S23-E25 WeakPolarHBondContact CB-OE2 3.36Å; S23-E25 PolarHBondContact O-N 3.23Å; E25-F28 PolarHBondContact O-N 3.35Å; E25-V29 WeakPolarHBondContact O-CG2 3.4Å; E25-V29 PolarHBondContact O-N 3.44Å; E25-V29 VanDerWaalsContact O-N 3.13Å; E25-L130 HydrophobicContact CB-CD1 4.21Å; E25-L130 HydrophobicContact CB-CD2 4.26Å
26	M	91.8	Very high	93.1	Very high	28 Å²	28	73 Å²	73	14%	0.138	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-44.1	176.6	-171.3	62.3	70.2	0	0	111.3	S23 F28 V29 F30 W127 L130 L131	S23-M26 PolarHBondContact O-N 2.97Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 WeakPolarHBondContact OG-CB 3.47Å; S23-M26 PolarHBondContact OG-N 3.39Å; M26-F28 PolarHBondContact O-N 2.95Å; M26-V29 PolarHBondContact O-N 3.48Å; M26-F30 HydrophobicContact CG-CD2 4.46Å; M26-F30 HydrophobicContact CG-CE2 4.39Å; M26-F30 WeakPolarHBondContact O-CD2 3.33Å; M26-F30 PolarHBondContact O-N 3.43Å; M26-F30 HydrophobicContact SD-CD2 4.24Å; M26-F30 HydrophobicContact SD-CE2 3.71Å; M26-W127 HydrophobicContact CE-CB 3.9Å; M26-W127 HydrophobicContact SD-CB 3.67Å; M26-L130 HydrophobicContact CE-CB 3.87Å; M26-L130 HydrophobicContact CE-CD1 4.01Å; M26-L130 HydrophobicContact SD-CD1 4.35Å; M26-L131 HydrophobicContact CE-CD2 4.33Å; M26-L131 HydrophobicContact CE-CG 4.39Å
27	C	93.4	Very high	93.3	Very high	42 Å²	42	73.2 Å²	73.2	28%	0.284	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-37.4	174.4	-71.9	0	0	0	0	112	S23 P24 F30 S31	S23-C27 PolarHBondContact O-N 3.43Å; S23-C27 PolarHBondContact O-SG 2.93Å; S23-C27 VanDerWaalsContact O-SG 3.41Å; P24-C27 PolarHBondContact O-N 3.14Å; C27-F30 PolarHBondContact O-N 3.36Å; C27-S31 PolarHBondContact O-N 2.85Å
28	F	93.7	Very high	93.5	Very high	82 Å²	82	68.5 Å²	68.5	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-40.8	178.2	179.4	-110.5	0	0	0	112.5	P24 E25 M26 F30 S31 R33 Y34	P24-F28 WeakPolarHBondContact O-CB 3.42Å; P24-F28 PolarHBondContact O-N 3.24Å; E25-F28 PolarHBondContact O-N 3.35Å; M26-F28 PolarHBondContact O-N 2.95Å; F28-F30 PolarHBondContact O-N 2.87Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.39Å; F28-S31 PolarHBondContact O-N 3Å; F28-S31 PolarHBondContact O-OG 3.16Å; F28-R33 HydrophobicContact CE2-CG 4.38Å; F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.76Å; F28-Y34 HydrophobicContact CE1-CD2 3.76Å; F28-Y34 HydrophobicContact CZ-CD2 4.34Å; F28-Y34 WeakPolarHBondContact O-CB 3.17Å
29	V	93.9	Very high	93.8	Very high	12 Å²	12	65.8 Å²	65.8	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-56.1	-38.8	176.8	171	0	0	0	0	111.6	E25 M26 Y34 A123 L130	E25-V29 WeakPolarHBondContact O-CG2 3.4Å; E25-V29 PolarHBondContact O-N 3.44Å; E25-V29 VanDerWaalsContact O-N 3.13Å; M26-V29 PolarHBondContact O-N 3.48Å; V29-Y34 WeakPolarHBondContact O-CD1 3.39Å; V29-A123 HydrophobicContact CG1-CB 3.97Å; V29-L130 HydrophobicContact CG2-CD1 3.97Å
30	F	94.3	Very high	94.3	Very high	134 Å²	134	63.3 Å²	63.3	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	11.6	178.1	-65.5	-72.8	0	0	0	114.3	M26 C27 F28 A123 W127	M26-F30 HydrophobicContact CG-CD2 4.46Å; M26-F30 HydrophobicContact CG-CE2 4.39Å; M26-F30 WeakPolarHBondContact O-CD2 3.33Å; M26-F30 PolarHBondContact O-N 3.43Å; M26-F30 HydrophobicContact SD-CD2 4.24Å; M26-F30 HydrophobicContact SD-CE2 3.71Å; C27-F30 PolarHBondContact O-N 3.36Å; F28-F30 PolarHBondContact O-N 2.87Å; F30-A123 HydrophobicContact CE1-CB 4.43Å; F30-W127 HydrophobicContact CE2-CB 4.34Å; F30-W127 HydrophobicContact CZ-CB 4.36Å
31	S	95.3	Very high	94.7	Very high	30 Å²	30	56.8 Å²	56.8	21%	0.21	28%	0.278	C	S	.	.	S	Bend	trans	-79.8	152.4	178.6	72.5	0	0	0	0	112.4	C27 F28 R33 Y34 K35	C27-S31 PolarHBondContact O-N 2.85Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.39Å; F28-S31 PolarHBondContact O-N 3Å; F28-S31 PolarHBondContact O-OG 3.16Å; S31-R33 PolarHBondContact O-N 2.87Å; S31-Y34 PolarHBondContact O-N 2.87Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 PolarHBondContact OG-N 3.01Å; S31-Y34 VanDerWaalsContact OG-N 3.13Å; S31-K35 PolarHBondContact O-N 3.4Å
32	D	95.8	Very high	95	Very high	100 Å²	100	50.2 Å²	50.2	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-35.8	172.9	-72.2	-33.6	0	0	0	112.1	Y34 K35 F36 F74	D32-Y34 PolarHBondContact O-N 3.27Å; D32-K35 PolarHBondContact O-N 2.89Å; D32-F36 HydrophobicContact CB-CD2 4.02Å; D32-F36 HydrophobicContact CB-CE2 3.83Å; D32-F36 WeakPolarHBondContact O-CD2 3.44Å; D32-F36 PolarHBondContact O-N 2.88Å; D32-F74 HydrophobicContact CB-CE1 4.1Å
33	R	95.2	Very high	95.3	Very high	107 Å²	107	48.5 Å²	48.5	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-46.1	175.1	178.3	166.3	-70.2	-79.9	-1.2	111.5	F28 S31 R37 F74	F28-R33 HydrophobicContact CE2-CG 4.38Å; S31-R33 PolarHBondContact O-N 2.87Å; R33-R37 WeakPolarHBondContact O-CB 3.42Å; R33-R37 VanDerWaalsContact O-CG 3.25Å; R33-R37 WeakPolarHBondContact O-CG 3.42Å; R33-R37 PolarHBondContact O-N 3.2Å; R33-R37 VanDerWaalsContact O-N 3.1Å; R33-F74 HydrophobicContact CB-CZ 4.32Å
34	Y	95.6	Very high	95.6	Very high	22 Å²	22	46.9 Å²	46.9	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-44.6	175.9	-174.4	-77.6	0	0	0	111.3	F28 V29 S31 D32 F36 R37 T38 S126	F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.76Å; F28-Y34 HydrophobicContact CE1-CD2 3.76Å; F28-Y34 HydrophobicContact CZ-CD2 4.34Å; F28-Y34 WeakPolarHBondContact O-CB 3.17Å; V29-Y34 WeakPolarHBondContact O-CD1 3.39Å; S31-Y34 PolarHBondContact O-N 2.87Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 PolarHBondContact OG-N 3.01Å; S31-Y34 VanDerWaalsContact OG-N 3.13Å; D32-Y34 PolarHBondContact O-N 3.27Å; Y34-F36 PolarHBondContact O-N 3.49Å; Y34-R37 VanDerWaalsContact O-CG 3.29Å; Y34-R37 WeakPolarHBondContact O-CG 3.38Å; Y34-T38 WeakPolarHBondContact O-CB 3.3Å; Y34-T38 PolarHBondContact O-N 3.35Å; Y34-T38 VanDerWaalsContact O-N 3.12Å; Y34-T38 PolarHBondContact O-OG1 3.34Å; Y34-S126 PolarHBondContact OH-OG 3.29Å; Y34-S126 VanDerWaalsContact OH-OG 3.08Å
35	K	95.8	Very high	95.9	Very high	67 Å²	67	49.4 Å²	49.4	29%	0.291	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-56	177.7	178.2	-174.9	171.5	-171.7	0	111.7	S31 D32 T38 W39 D87 T119	S31-K35 PolarHBondContact O-N 3.4Å; D32-K35 PolarHBondContact O-N 2.89Å; K35-T38 WeakPolarHBondContact O-CB 3.42Å; K35-T38 PolarHBondContact O-N 3.16Å; K35-W39 PolarHBondContact O-N 3.26Å; K35-D87 IonicContact NZ-OD2 3.76Å; K35-T119 HydrophobicContact CG-CG2 4.33Å
36	F	97.4	Very high	96.2	Very high	15 Å²	15	45.7 Å²	45.7	7%	0.066	21%	0.209	C	C	.	.	H	α-helix	trans	-78.5	-26.5	-170.7	-61.8	-55.8	0	0	0	114	D32 Y34 T38 W39 R40 I72 F74 H91	D32-F36 HydrophobicContact CB-CD2 4.02Å; D32-F36 HydrophobicContact CB-CE2 3.83Å; D32-F36 WeakPolarHBondContact O-CD2 3.44Å; D32-F36 PolarHBondContact O-N 2.88Å; Y34-F36 PolarHBondContact O-N 3.49Å; F36-T38 VanDerWaalsContact C-N 3.31Å; F36-W39 AromaticContact CD1-CD2 3.97Å; F36-W39 HydrophobicContact CD1-CD2 3.97Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 AromaticContact CD1-CZ3 3.93Å; F36-W39 HydrophobicContact CD1-CZ3 3.93Å; F36-W39 HydrophobicContact CE1-CD2 4.42Å; F36-W39 AromaticContact CE1-CE3 3.96Å; F36-W39 HydrophobicContact CE1-CE3 3.96Å; F36-W39 HydrophobicContact CE1-CH2 4.02Å; F36-W39 HydrophobicContact CE1-CZ2 4.49Å; F36-W39 AromaticContact CE1-CZ3 3.7Å; F36-W39 HydrophobicContact CE1-CZ3 3.7Å; F36-W39 PolarHBondContact O-N 3.39Å; F36-R40 PolarHBondContact O-N 3Å; F36-I72 HydrophobicContact CB-CD1 4.02Å; F36-F74 HydrophobicContact CD2-CD1 4.42Å; F36-F74 AromaticContact CD2-CE1 3.77Å; F36-F74 HydrophobicContact CD2-CE1 3.77Å; F36-F74 HydrophobicContact CE2-CE1 4.3Å; F36-H91 AromaticContact CD1-CD2 3.82Å; F36-H91 AromaticContact CD1-CE1 3.26Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.42Å; F36-H91 AromaticContact CD1-CG 3.82Å; F36-H91 AromaticContact CD1-ND1 3.48Å; F36-H91 WeakPolarHBondContact CD1-ND1 3.18Å; F36-H91 AromaticContact CD1-NE2 3.48Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.48Å; F36-H91 AromaticContact CD2-CE1 3.52Å; F36-H91 AromaticContact CD2-NE2 3.91Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 AromaticContact CE1-CE1 3.51Å; F36-H91 AromaticContact CE1-CG 3.98Å; F36-H91 AromaticContact CE1-ND1 3.98Å; F36-H91 AromaticContact CE1-NE2 3.18Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.04Å; F36-H91 AromaticContact CE2-CE1 3.75Å; F36-H91 AromaticContact CE2-NE2 3.65Å; F36-H91 AromaticContact CG-CE1 3.27Å; F36-H91 WeakPolarHBondContact CG-CE1 3.4Å; F36-H91 AromaticContact CG-ND1 3.71Å; F36-H91 AromaticContact CG-NE2 3.84Å; F36-H91 AromaticContact CZ-CD2 4Å; F36-H91 AromaticContact CZ-CE1 3.74Å; F36-H91 AromaticContact CZ-NE2 3.27Å; F36-H91 VanDerWaalsContact CZ-NE2 3.27Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.35Å
37	R	96.7	Very high	96.4	Very high	65 Å²	65	44.4 Å²	44.4	25%	0.245	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-38.4	167.7	77.1	-178.4	-175.6	156.9	5.1	110.8	R33 Y34 W39 R40 Q41 E70 I72	R33-R37 WeakPolarHBondContact O-CB 3.42Å; R33-R37 VanDerWaalsContact O-CG 3.25Å; R33-R37 WeakPolarHBondContact O-CG 3.42Å; R33-R37 PolarHBondContact O-N 3.2Å; R33-R37 VanDerWaalsContact O-N 3.1Å; Y34-R37 VanDerWaalsContact O-CG 3.29Å; Y34-R37 WeakPolarHBondContact O-CG 3.38Å; R37-W39 VanDerWaalsContact C-N 3.34Å; R37-W39 PolarHBondContact O-N 3.07Å; R37-R40 PolarHBondContact O-N 3.1Å; R37-Q41 PolarHBondContact O-N 2.75Å; R37-E70 WeakPolarHBondContact CD-OE1 3.26Å; R37-E70 IonicContact NH1-OE1 3.83Å; R37-I72 HydrophobicContact CB-CD1 4.14Å
38	T	97.3	Very high	96.6	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-36.8	177.8	-59.3	0	0	0	0	110.8	Y34 K35 F36 R40 Q41 L42 T119 T122	Y34-T38 WeakPolarHBondContact O-CB 3.3Å; Y34-T38 PolarHBondContact O-N 3.35Å; Y34-T38 VanDerWaalsContact O-N 3.12Å; Y34-T38 PolarHBondContact O-OG1 3.34Å; K35-T38 WeakPolarHBondContact O-CB 3.42Å; K35-T38 PolarHBondContact O-N 3.16Å; F36-T38 VanDerWaalsContact C-N 3.31Å; T38-R40 VanDerWaalsContact C-N 3.35Å; T38-R40 PolarHBondContact O-N 3Å; T38-Q41 WeakPolarHBondContact O-CB 3.37Å; T38-Q41 PolarHBondContact O-N 2.89Å; T38-L42 HydrophobicContact CG2-CD1 4.37Å; T38-L42 WeakPolarHBondContact O-CG 3.41Å; T38-L42 PolarHBondContact O-N 2.86Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; T38-T122 HydrophobicContact CG2-CG2 4.48Å
39	W	98.1	Very high	96.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-46.3	171.3	-73.6	16.1	0	0	0	112.3	K35 F36 R37 Q41 L42 W43 D87 V88 H91 V115 T119	K35-W39 PolarHBondContact O-N 3.26Å; F36-W39 AromaticContact CD1-CD2 3.97Å; F36-W39 HydrophobicContact CD1-CD2 3.97Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 AromaticContact CD1-CZ3 3.93Å; F36-W39 HydrophobicContact CD1-CZ3 3.93Å; F36-W39 HydrophobicContact CE1-CD2 4.42Å; F36-W39 AromaticContact CE1-CE3 3.96Å; F36-W39 HydrophobicContact CE1-CE3 3.96Å; F36-W39 HydrophobicContact CE1-CH2 4.02Å; F36-W39 HydrophobicContact CE1-CZ2 4.49Å; F36-W39 AromaticContact CE1-CZ3 3.7Å; F36-W39 HydrophobicContact CE1-CZ3 3.7Å; F36-W39 PolarHBondContact O-N 3.39Å; R37-W39 VanDerWaalsContact C-N 3.34Å; R37-W39 PolarHBondContact O-N 3.07Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.26Å; W39-L42 PolarHBondContact O-N 3.38Å; W39-W43 HydrophobicContact CB-CE3 4.41Å; W39-W43 HydrophobicContact CB-CH2 4.23Å; W39-W43 HydrophobicContact CB-CZ3 4.02Å; W39-W43 HydrophobicContact CE3-CH2 4.03Å; W39-W43 PolarHBondContact O-N 2.87Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.41Å; W39-V88 HydrophobicContact CH2-CB 4.44Å; W39-V88 HydrophobicContact CH2-CG2 3.54Å; W39-V88 HydrophobicContact CZ2-CG2 4.24Å; W39-V88 HydrophobicContact CZ3-CB 4.27Å; W39-V88 HydrophobicContact CZ3-CG2 3.84Å; W39-H91 HydrophobicContact CE3-CB 4.02Å; W39-H91 HydrophobicContact CZ3-CB 4.11Å; W39-V115 HydrophobicContact CB-CB 4.33Å; W39-V115 HydrophobicContact CB-CG1 4.47Å; W39-V115 HydrophobicContact CD2-CB 4.02Å; W39-V115 HydrophobicContact CD2-CG2 3.93Å; W39-V115 HydrophobicContact CE3-CG2 4.23Å; W39-V115 HydrophobicContact CG-CB 3.86Å; W39-V115 HydrophobicContact CG-CG2 4.3Å; W39-V115 HydrophobicContact CZ2-CG2 4.28Å; W39-V115 PolarHBondContact NE1-O 3.13Å; W39-T119 PolarHBondContact NE1-OG1 3.18Å
40	R	98.1	Very high	97	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-37.9	176.5	-67.3	-179.6	177.8	-157.3	2	112.4	F36 R37 T38 W43 L44 N68 L69 N71 F95	F36-R40 PolarHBondContact O-N 3Å; R37-R40 PolarHBondContact O-N 3.1Å; T38-R40 VanDerWaalsContact C-N 3.35Å; T38-R40 PolarHBondContact O-N 3Å; R40-W43 HydrophobicContact CG-CE3 4.2Å; R40-W43 HydrophobicContact CG-CZ3 4.3Å; R40-W43 PolarHBondContact O-N 2.85Å; R40-L44 WeakPolarHBondContact O-CB 3.38Å; R40-L44 PolarHBondContact O-N 2.85Å; R40-N68 PolarHBondContact NH1-O 2.75Å; R40-L69 HydrophobicContact CB-CD2 3.7Å; R40-L69 WeakPolarHBondContact CD-O 3.27Å; R40-N71 VanDerWaalsContact NH1-C 3.27Å; R40-N71 PolarHBondContact NH1-O 3.31Å; R40-N71 PolarHBondContact NH2-O 2.99Å; R40-F95 HydrophobicContact CB-CE1 4.11Å; R40-F95 HydrophobicContact CB-CE2 4.47Å; R40-F95 HydrophobicContact CB-CZ 4.05Å; R40-F95 HydrophobicContact CG-CD1 3.99Å; R40-F95 HydrophobicContact CG-CD2 4.08Å; R40-F95 HydrophobicContact CG-CE1 3.97Å; R40-F95 HydrophobicContact CG-CE2 4.07Å; R40-F95 HydrophobicContact CG-CG 4.06Å; R40-F95 HydrophobicContact CG-CZ 4.02Å; R40-F95 VanDerWaalsContact CZ-CD2 3.44Å
41	Q	97.7	Very high	97.1	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.7	-175.4	59.1	75.4	0	0	112	R37 T38 W39 L44 W45	R37-Q41 PolarHBondContact O-N 2.75Å; T38-Q41 WeakPolarHBondContact O-CB 3.37Å; T38-Q41 PolarHBondContact O-N 2.89Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.26Å; Q41-L44 WeakPolarHBondContact O-CB 3.45Å; Q41-L44 PolarHBondContact O-N 3.11Å; Q41-W45 HydrophobicContact CG-CD2 4.16Å; Q41-W45 HydrophobicContact CG-CE3 4.39Å; Q41-W45 HydrophobicContact CG-CH2 3.85Å; Q41-W45 HydrophobicContact CG-CZ2 3.6Å; Q41-W45 HydrophobicContact CG-CZ3 4.25Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.31Å; Q41-W45 PolarHBondContact O-N 2.92Å
42	L	97.6	Very high	97.2	Very high	10 Å²	10	45 Å²	45	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-46.2	174.9	-71.3	168.7	0	0	0	110.9	T38 W39 L44 W45 L46 Y114 V115 N118 T119	T38-L42 HydrophobicContact CG2-CD1 4.37Å; T38-L42 WeakPolarHBondContact O-CG 3.41Å; T38-L42 PolarHBondContact O-N 2.86Å; W39-L42 PolarHBondContact O-N 3.38Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 3.45Å; L42-W45 HydrophobicContact CD2-CE3 3.9Å; L42-W45 HydrophobicContact CD2-CZ3 4.02Å; L42-W45 PolarHBondContact O-N 2.91Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 PolarHBondContact O-N 3.19Å; L42-Y114 HydrophobicContact CB-CE1 3.87Å; L42-Y114 PolarHBondContact O-OH 3.33Å; L42-V115 HydrophobicContact CB-CG1 4.36Å; L42-V115 HydrophobicContact CD1-CB 4.49Å; L42-N118 HydrophobicContact CD1-CB 3.93Å; L42-N118 HydrophobicContact CD2-CB 4.1Å; L42-T119 VanDerWaalsContact CD1-OG1 3.29Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.22Å
43	W	98.2	Very high	97.3	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.011	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-36.4	174.9	-72.4	-44.8	0	0	0	113.1	W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115	W39-W43 HydrophobicContact CB-CE3 4.41Å; W39-W43 HydrophobicContact CB-CH2 4.23Å; W39-W43 HydrophobicContact CB-CZ3 4.02Å; W39-W43 HydrophobicContact CE3-CH2 4.03Å; W39-W43 PolarHBondContact O-N 2.87Å; R40-W43 HydrophobicContact CG-CE3 4.2Å; R40-W43 HydrophobicContact CG-CZ3 4.3Å; R40-W43 PolarHBondContact O-N 2.85Å; W43-L46 PolarHBondContact O-N 3.25Å; W43-A47 PolarHBondContact O-N 2.95Å; W43-M65 HydrophobicContact CB-CE 3.91Å; W43-M65 WeakPolarHBondContact O-CE 3.18Å; W43-V88 HydrophobicContact CZ2-CG1 4.12Å; W43-H91 HydrophobicContact CH2-CB 3.97Å; W43-H91 HydrophobicContact CZ3-CB 4.42Å; W43-V92 HydrophobicContact CH2-CG2 3.92Å; W43-V92 HydrophobicContact CZ2-CG2 3.5Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.5Å; W43-F95 AromaticContact CE3-CD1 3.8Å; W43-F95 HydrophobicContact CE3-CD1 3.8Å; W43-F95 HydrophobicContact CE3-CE1 4.31Å; W43-F95 HydrophobicContact CZ3-CD1 4.33Å; W43-I106 HydrophobicContact CD2-CG2 4.04Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4.17Å; W43-H107 AromaticContact CD1-ND1 3.91Å; W43-H107 AromaticContact NE1-CG 3.58Å; W43-H107 AromaticContact NE1-ND1 3.1Å; W43-H107 PolarHBondContact NE1-ND1 3.26Å; W43-V115 HydrophobicContact CD2-CG1 4.23Å; W43-V115 HydrophobicContact CG-CG1 4.45Å; W43-V115 HydrophobicContact CZ2-CG1 3.92Å; W43-V115 HydrophobicContact CZ2-CG2 4.23Å
44	L	97.9	Very high	97.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-48.9	173.6	176.1	62.6	0	0	0	111.2	R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69	R40-L44 WeakPolarHBondContact O-CB 3.38Å; R40-L44 PolarHBondContact O-N 2.85Å; Q41-L44 WeakPolarHBondContact O-CB 3.45Å; Q41-L44 PolarHBondContact O-N 3.11Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 3.45Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 3.18Å; L44-A47 PolarHBondContact O-N 3.28Å; L44-E48 HydrophobicContact CD1-CG 4.25Å; L44-E48 WeakPolarHBondContact O-CG 3.35Å; L44-E48 PolarHBondContact O-N 3.4Å; L44-I62 HydrophobicContact CD1-CG2 3.7Å; L44-M65 HydrophobicContact CB-CE 4.5Å; L44-M65 HydrophobicContact CD1-CB 4.09Å; L44-K66 HydrophobicContact CD1-CB 4.38Å; L44-K66 HydrophobicContact CD2-CB 4.01Å; L44-K66 HydrophobicContact CD2-CG 4.09Å; L44-L69 HydrophobicContact CB-CD2 4.32Å; L44-L69 HydrophobicContact CD2-CD1 3.94Å; L44-L69 HydrophobicContact CD2-CD2 4.21Å; L44-L69 HydrophobicContact CD2-CG 4.49Å
45	W	97.9	Very high	97.4	Very high	137 Å²	137	47.7 Å²	47.7	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-36.3	177.1	-69.1	-26.9	0	0	0	112.8	Q41 L42 A49	Q41-W45 HydrophobicContact CG-CD2 4.16Å; Q41-W45 HydrophobicContact CG-CE3 4.39Å; Q41-W45 HydrophobicContact CG-CH2 3.85Å; Q41-W45 HydrophobicContact CG-CZ2 3.6Å; Q41-W45 HydrophobicContact CG-CZ3 4.25Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.31Å; Q41-W45 PolarHBondContact O-N 2.92Å; L42-W45 HydrophobicContact CD2-CE3 3.9Å; L42-W45 HydrophobicContact CD2-CZ3 4.02Å; L42-W45 PolarHBondContact O-N 2.91Å; W45-A49 VanDerWaalsContact O-CB 3.3Å; W45-A49 WeakPolarHBondContact O-CB 3.31Å; W45-A49 PolarHBondContact O-N 3.37Å
46	L	97.6	Very high	97.4	Very high	30 Å²	30	50 Å²	50	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-51.2	173.2	-177	62.6	0	0	0	110.6	L42 W43 L44 E48 A49 E50 A110 Y114	L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 PolarHBondContact O-N 3.19Å; W43-L46 PolarHBondContact O-N 3.25Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 3.18Å; L46-E48 PolarHBondContact O-N 2.87Å; L46-A49 PolarHBondContact O-N 3.29Å; L46-E50 HydrophobicContact CD1-CG 4.21Å; L46-E50 HydrophobicContact CG-CG 4.41Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 VanDerWaalsContact O-CG 3.29Å; L46-E50 WeakPolarHBondContact O-CG 3.36Å; L46-E50 PolarHBondContact O-N 3.06Å; L46-A110 HydrophobicContact CD2-CB 3.86Å; L46-Y114 HydrophobicContact CB-CE1 4.05Å; L46-Y114 HydrophobicContact CD2-CD1 4.34Å; L46-Y114 HydrophobicContact CD2-CE1 4.01Å
47	A	97.5	Very high	97.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-40.8	179.9	0	0	0	0	0	112.5	W43 L44 Q51 I57 I62 M65 I105	W43-A47 PolarHBondContact O-N 2.95Å; L44-A47 PolarHBondContact O-N 3.28Å; A47-Q51 VanDerWaalsContact O-CB 3.3Å; A47-Q51 WeakPolarHBondContact O-CB 3.43Å; A47-Q51 PolarHBondContact O-N 3.5Å; A47-I57 HydrophobicContact CB-CD1 4.32Å; A47-I57 HydrophobicContact CB-CG2 4.47Å; A47-I57 WeakPolarHBondContact O-CD1 3.3Å; A47-I62 HydrophobicContact CB-CG1 4.43Å; A47-M65 HydrophobicContact CB-CE 4.22Å; A47-M65 HydrophobicContact CB-SD 4.09Å; A47-I105 HydrophobicContact CB-CD1 4.15Å
48	E	97.6	Very high	97.5	Very high	62 Å²	62	50.1 Å²	50.1	29%	0.29	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-42.5	175.3	-72.5	174.6	165.4	0	0	111.9	L44 L46 T52 I62	L44-E48 HydrophobicContact CD1-CG 4.25Å; L44-E48 WeakPolarHBondContact O-CG 3.35Å; L44-E48 PolarHBondContact O-N 3.4Å; L46-E48 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-N 3.2Å; E48-T52 VanDerWaalsContact O-N 3.11Å; E48-T52 PolarHBondContact O-OG1 3.06Å; E48-I62 HydrophobicContact CG-CD1 4.15Å; E48-I62 HydrophobicContact CG-CG2 3.81Å
49	A	97.7	Very high	97.5	Very high	50 Å²	50	55.1 Å²	55.1	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-68.2	-44.3	177.2	0	0	0	0	0	112	W45 L46 Q51 T52 L53	W45-A49 VanDerWaalsContact O-CB 3.3Å; W45-A49 WeakPolarHBondContact O-CB 3.31Å; W45-A49 PolarHBondContact O-N 3.37Å; L46-A49 PolarHBondContact O-N 3.29Å; A49-Q51 PolarHBondContact O-N 3.47Å; A49-T52 WeakPolarHBondContact O-CB 3.21Å; A49-T52 PolarHBondContact O-N 3.37Å; A49-L53 WeakPolarHBondContact O-CG 3.32Å; A49-L53 PolarHBondContact O-N 2.97Å
50	E	97.4	Very high	97.5	Very high	22 Å²	22	60.7 Å²	60.7	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-41.2	177.2	-77.8	-174.6	149.7	0	0	112.1	L46 T52 L53 G54 L55 I57	L46-E50 HydrophobicContact CD1-CG 4.21Å; L46-E50 HydrophobicContact CG-CG 4.41Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 VanDerWaalsContact O-CG 3.29Å; L46-E50 WeakPolarHBondContact O-CG 3.36Å; L46-E50 PolarHBondContact O-N 3.06Å; E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 PolarHBondContact O-N 3.46Å; E50-L53 CarbonylContact O-C 3.59Å; E50-L53 PolarHBondContact O-N 3.06Å; E50-G54 PolarHBondContact O-N 3.27Å; E50-L55 HydrophobicContact CB-CB 4.26Å; E50-L55 HydrophobicContact CB-CD1 3.51Å; E50-L55 HydrophobicContact CB-CG 4.49Å; E50-L55 HydrophobicContact CG-CD1 3.58Å; E50-L55 WeakPolarHBondContact O-CB 3.48Å; E50-L55 PolarHBondContact O-N 3.13Å; E50-I57 HydrophobicContact CB-CD1 3.51Å
51	Q	97.6	Very high	97.4	Very high	56 Å²	56	62 Å²	62	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-45.7	172.3	-175.9	-173.1	62.9	0	0	111	A47 A49 L53 G54 I57 D59 I62	A47-Q51 VanDerWaalsContact O-CB 3.3Å; A47-Q51 WeakPolarHBondContact O-CB 3.43Å; A47-Q51 PolarHBondContact O-N 3.5Å; A49-Q51 PolarHBondContact O-N 3.47Å; Q51-L53 PolarHBondContact O-N 2.73Å; Q51-G54 PolarHBondContact O-N 3.29Å; Q51-I57 HydrophobicContact CB-CB 4.06Å; Q51-I57 HydrophobicContact CB-CG2 4.34Å; Q51-I57 HydrophobicContact CG-CB 4.45Å; Q51-I57 PolarHBondContact NE2-O 2.87Å; Q51-D59 PolarHBondContact NE2-OD1 3.45Å; Q51-I62 HydrophobicContact CB-CD1 4.07Å; Q51-I62 VanDerWaalsContact CD-CD1 3.43Å; Q51-I62 HydrophobicContact CG-CD1 4.32Å; Q51-I62 VanDerWaalsContact OE1-CD1 3.28Å
52	T	97.2	Very high	97.5	Very high	121 Å²	121	60.2 Å²	60.2	74%	0.742	34%	0.337	S	S	*	.	H	α-helix	trans	-61.7	-31.1	178.3	-57.2	0	0	0	0	112.1	E48 A49 E50 G54	E48-T52 PolarHBondContact O-N 3.2Å; E48-T52 VanDerWaalsContact O-N 3.11Å; E48-T52 PolarHBondContact O-OG1 3.06Å; A49-T52 WeakPolarHBondContact O-CB 3.21Å; A49-T52 PolarHBondContact O-N 3.37Å; E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 PolarHBondContact O-N 3.46Å; T52-G54 VanDerWaalsContact C-N 3.27Å; T52-G54 PolarHBondContact O-N 3.42Å
53	L	97.1	Very high	97.5	Very high	148 Å²	148	64.9 Å²	64.9	78%	0.775	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.2	175.6	-66.5	172.8	0	0	0	113.8	A49 E50 Q51	A49-L53 WeakPolarHBondContact O-CG 3.32Å; A49-L53 PolarHBondContact O-N 2.97Å; E50-L53 CarbonylContact O-C 3.59Å; E50-L53 PolarHBondContact O-N 3.06Å; Q51-L53 PolarHBondContact O-N 2.73Å
54	G	96	Very high	97.4	Very high	65 Å²	65	66.4 Å²	66.4	67%	0.67	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	14.9	174.3	0	0	0	0	0	115.3	E50 Q51 T52	E50-G54 PolarHBondContact O-N 3.27Å; Q51-G54 PolarHBondContact O-N 3.29Å; T52-G54 VanDerWaalsContact C-N 3.27Å; T52-G54 PolarHBondContact O-N 3.42Å
55	L	96.8	Very high	97.4	Very high	73 Å²	73	66.3 Å²	66.3	38%	0.382	37%	0.365	S	S	.	.			trans	-69.2	152.1	169.5	-77.6	158.6	0	0	0	110.7	E50 I57	E50-L55 HydrophobicContact CB-CB 4.26Å; E50-L55 HydrophobicContact CB-CD1 3.51Å; E50-L55 HydrophobicContact CB-CG 4.49Å; E50-L55 HydrophobicContact CG-CD1 3.58Å; E50-L55 WeakPolarHBondContact O-CB 3.48Å; E50-L55 PolarHBondContact O-N 3.13Å; L55-I57 HydrophobicContact CB-CD1 4.43Å; L55-I57 HydrophobicContact CB-CG1 4.39Å; L55-I57 PolarHBondContact O-N 2.89Å
56	P	96.6	Very high	97.4	Very high	116 Å²	116	65.1 Å²	65.1	75%	0.753	36%	0.363	S	S	*	.	S	Bend	trans	-76	68.6	-175.7	33.1	-37.1	0	0	0	111.8
57	I	97.6	Very high	97.4	Very high	10 Å²	10	67.7 Å²	67.7	5%	0.051	38%	0.384	C	S	.	.			trans	-114.5	126.8	177.5	-59	178.1	0	0	0	108.3	A47 E50 Q51 L55 I62 I105	A47-I57 HydrophobicContact CB-CD1 4.32Å; A47-I57 HydrophobicContact CB-CG2 4.47Å; A47-I57 WeakPolarHBondContact O-CD1 3.3Å; E50-I57 HydrophobicContact CB-CD1 3.51Å; Q51-I57 HydrophobicContact CB-CB 4.06Å; Q51-I57 HydrophobicContact CB-CG2 4.34Å; Q51-I57 HydrophobicContact CG-CB 4.45Å; Q51-I57 PolarHBondContact NE2-O 2.87Å; L55-I57 HydrophobicContact CB-CD1 4.43Å; L55-I57 HydrophobicContact CB-CG1 4.39Å; L55-I57 PolarHBondContact O-N 2.89Å; I57-I62 HydrophobicContact CG2-CD1 4.06Å; I57-I62 HydrophobicContact CG2-CG1 3.89Å; I57-I105 HydrophobicContact CG1-CB 4.46Å; I57-I105 HydrophobicContact CG1-CG2 4.32Å
58	T	97.6	Very high	97.4	Very high	73 Å²	73	68.9 Å²	68.9	45%	0.448	39%	0.39	S	S	.	.			trans	-93	152.1	-177.9	71.3	0	0	0	0	111.9	E60 Q61 I62	T58-E60 PolarHBondContact O-N 3.16Å; T58-Q61 WeakPolarHBondContact O-CB 3.41Å; T58-Q61 PolarHBondContact O-N 2.92Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.43Å; T58-Q61 PolarHBondContact OG1-N 3.38Å; T58-Q61 PolarHBondContact OG1-OE1 3.47Å; T58-I62 PolarHBondContact O-N 3.3Å
59	D	97.7	Very high	97.4	Very high	118 Å²	118	67 Å²	67	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-58.3	-30.7	175	-62.8	-16.5	0	0	0	112	Q51 Q61 I62 Q63	Q51-D59 PolarHBondContact NE2-OD1 3.45Å; D59-Q61 VanDerWaalsContact C-N 3.35Å; D59-Q61 PolarHBondContact O-N 2.74Å; D59-I62 PolarHBondContact O-N 3Å; D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.33Å; D59-Q63 PolarHBondContact O-N 3.45Å
60	E	97.4	Very high	97.2	Very high	122 Å²	122	69.5 Å²	69.5	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-63.9	-38.6	175.5	-66.1	-171.8	-164.9	0	0	112.5	T58 E64 K101	T58-E60 PolarHBondContact O-N 3.16Å; E60-E64 WeakPolarHBondContact O-CB 3.39Å; E60-E64 PolarHBondContact O-N 3.44Å; E60-K101 IonicContact OE2-NZ 2.74Å; E60-K101 PolarHBondContact OE2-NZ 3.18Å
61	Q	97.7	Very high	97.2	Very high	28 Å²	28	72.8 Å²	72.8	13%	0.131	40%	0.403	C	S	.	.	H	α-helix	trans	-66.8	-46.4	177.1	-69	172	-51.5	0	0	110.6	T58 D59 Q63 E64 M65 K101 A102 I105	T58-Q61 WeakPolarHBondContact O-CB 3.41Å; T58-Q61 PolarHBondContact O-N 2.92Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.43Å; T58-Q61 PolarHBondContact OG1-N 3.38Å; T58-Q61 PolarHBondContact OG1-OE1 3.47Å; D59-Q61 VanDerWaalsContact C-N 3.35Å; D59-Q61 PolarHBondContact O-N 2.74Å; Q61-Q63 VanDerWaalsContact C-N 3.35Å; Q61-Q63 PolarHBondContact O-N 3.02Å; Q61-E64 PolarHBondContact O-N 3.29Å; Q61-M65 WeakPolarHBondContact O-CG 3.48Å; Q61-M65 PolarHBondContact O-N 3.5Å; Q61-K101 HydrophobicContact CG-CB 4.23Å; Q61-K101 WeakPolarHBondContact CG-O 3.4Å; Q61-K101 PolarHBondContact NE2-O 3.05Å; Q61-A102 HydrophobicContact CB-CB 4.01Å; Q61-A102 HydrophobicContact CG-CB 4.45Å; Q61-I105 HydrophobicContact CB-CG1 4.41Å
62	I	97.8	Very high	97.1	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.082	39%	0.394	C	S	.	.	H	α-helix	trans	-61.2	-45.3	177.8	-66.8	176.8	0	0	0	110.5	L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66	L44-I62 HydrophobicContact CD1-CG2 3.7Å; A47-I62 HydrophobicContact CB-CG1 4.43Å; E48-I62 HydrophobicContact CG-CD1 4.15Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; Q51-I62 HydrophobicContact CB-CD1 4.07Å; Q51-I62 VanDerWaalsContact CD-CD1 3.43Å; Q51-I62 HydrophobicContact CG-CD1 4.32Å; Q51-I62 VanDerWaalsContact OE1-CD1 3.28Å; I57-I62 HydrophobicContact CG2-CD1 4.06Å; I57-I62 HydrophobicContact CG2-CG1 3.89Å; T58-I62 PolarHBondContact O-N 3.3Å; D59-I62 PolarHBondContact O-N 3Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.26Å; I62-M65 PolarHBondContact O-N 3.01Å; I62-K66 WeakPolarHBondContact O-CB 3.3Å; I62-K66 PolarHBondContact O-N 3.18Å
63	Q	98	Very high	97.1	Very high	108 Å²	108	68.7 Å²	68.7	51%	0.505	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-38.5	179.5	-173.2	56.9	48.1	0	0	112	D59 Q61 K66 S67	D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.33Å; D59-Q63 PolarHBondContact O-N 3.45Å; Q61-Q63 VanDerWaalsContact C-N 3.35Å; Q61-Q63 PolarHBondContact O-N 3.02Å; Q63-K66 PolarHBondContact O-N 3.19Å; Q63-S67 PolarHBondContact NE2-OG 3.28Å; Q63-S67 PolarHBondContact O-N 2.63Å; Q63-S67 PolarHBondContact O-OG 3.36Å
64	E	97.7	Very high	97	Very high	36 Å²	36	65.2 Å²	65.2	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-43	175	-172.5	-178.8	-113.2	0	0	111.8	E60 Q61 I62 N68 C99 P100 K101 A102	E60-E64 WeakPolarHBondContact O-CB 3.39Å; E60-E64 PolarHBondContact O-N 3.44Å; Q61-E64 PolarHBondContact O-N 3.29Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.26Å; E64-N68 PolarHBondContact O-N 2.87Å; E64-N68 PolarHBondContact O-ND2 2.95Å; E64-C99 VanDerWaalsContact CD-CA 3.45Å; E64-C99 HydrophobicContact CG-CB 3.93Å; E64-C99 WeakPolarHBondContact OE2-CA 3.33Å; E64-C99 WeakPolarHBondContact OE2-CB 3.29Å; E64-P100 WeakPolarHBondContact OE1-CD 3.47Å; E64-K101 WeakPolarHBondContact OE2-CA 3.38Å; E64-K101 VanDerWaalsContact OE2-CB 3.3Å; E64-K101 WeakPolarHBondContact OE2-CB 3.39Å; E64-K101 PolarHBondContact OE2-N 3.35Å; E64-A102 PolarHBondContact OE2-N 3.27Å
65	M	97.7	Very high	97.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-47.1	174.6	-69	170.8	73.5	0	0	111.2	W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106	W43-M65 HydrophobicContact CB-CE 3.91Å; W43-M65 WeakPolarHBondContact O-CE 3.18Å; L44-M65 HydrophobicContact CB-CE 4.5Å; L44-M65 HydrophobicContact CD1-CB 4.09Å; A47-M65 HydrophobicContact CB-CE 4.22Å; A47-M65 HydrophobicContact CB-SD 4.09Å; Q61-M65 WeakPolarHBondContact O-CG 3.48Å; Q61-M65 PolarHBondContact O-N 3.5Å; I62-M65 PolarHBondContact O-N 3.01Å; M65-S67 VanDerWaalsContact C-N 3.33Å; M65-S67 PolarHBondContact O-N 3.27Å; M65-N68 CarbonylContact O-C 3.58Å; M65-N68 PolarHBondContact O-N 3.44Å; M65-L69 PolarHBondContact O-N 2.93Å; M65-F95 HydrophobicContact CB-CE1 4.37Å; M65-F95 HydrophobicContact CB-CZ 3.89Å; M65-F95 HydrophobicContact CE-CE1 3.91Å; M65-F95 HydrophobicContact CG-CE1 4.18Å; M65-F95 HydrophobicContact CG-CZ 4.08Å; M65-A102 HydrophobicContact CG-CB 3.52Å; M65-A102 HydrophobicContact SD-CB 3.84Å; M65-I105 HydrophobicContact SD-CD1 3.6Å; M65-I106 HydrophobicContact CE-CG1 4.19Å; M65-I106 HydrophobicContact SD-CG1 4.45Å
66	K	97.4	Very high	97.1	Very high	112 Å²	112	67.2 Å²	67.2	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-39.6	-179.2	-170	172.4	-174.9	169.7	0	112.8	L44 I62 Q63 N68	L44-K66 HydrophobicContact CD1-CB 4.38Å; L44-K66 HydrophobicContact CD2-CB 4.01Å; L44-K66 HydrophobicContact CD2-CG 4.09Å; I62-K66 WeakPolarHBondContact O-CB 3.3Å; I62-K66 PolarHBondContact O-N 3.18Å; Q63-K66 PolarHBondContact O-N 3.19Å; K66-N68 PolarHBondContact O-N 3.23Å
67	S	97.6	Very high	97.1	Very high	84 Å²	84	61.9 Å²	61.9	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-69	-16.3	176.6	-71.1	0	0	0	0	113.8	Q63 M65	Q63-S67 PolarHBondContact NE2-OG 3.28Å; Q63-S67 PolarHBondContact O-N 2.63Å; Q63-S67 PolarHBondContact O-OG 3.36Å; M65-S67 VanDerWaalsContact C-N 3.33Å; M65-S67 PolarHBondContact O-N 3.27Å
68	N	97.6	Very high	97.1	Very high	27 Å²	27	64.1 Å²	64.1	14%	0.144	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	13.4	-174.8	-74.8	-77.4	0	0	0	114.1	R40 E64 M65 K66 E70 N71 F95	R40-N68 PolarHBondContact NH1-O 2.75Å; E64-N68 PolarHBondContact O-N 2.87Å; E64-N68 PolarHBondContact O-ND2 2.95Å; M65-N68 CarbonylContact O-C 3.58Å; M65-N68 PolarHBondContact O-N 3.44Å; K66-N68 PolarHBondContact O-N 3.23Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 3.47Å; N68-N71 HydrophobicContact CB-CB 4.26Å; N68-N71 PolarHBondContact O-N 3.35Å; N68-N71 PolarHBondContact OD1-ND2 3.44Å; N68-F95 HydrophobicContact CB-CE2 3.96Å
69	L	96.4	Very high	97.1	Very high	22 Å²	22	66.1 Å²	66.1	12%	0.115	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.6	-178.8	-65.3	178.5	0	0	0	113.3	R40 L44 M65	R40-L69 HydrophobicContact CB-CD2 3.7Å; R40-L69 WeakPolarHBondContact CD-O 3.27Å; L44-L69 HydrophobicContact CB-CD2 4.32Å; L44-L69 HydrophobicContact CD2-CD1 3.94Å; L44-L69 HydrophobicContact CD2-CD2 4.21Å; L44-L69 HydrophobicContact CD2-CG 4.49Å; M65-L69 PolarHBondContact O-N 2.93Å
70	E	95.1	Very high	97.1	Very high	103 Å²	103	62.2 Å²	62.2	48%	0.481	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.4	-178.9	-63.1	-65.3	160.7	0	0	113.4	R37 N68 I72	R37-E70 WeakPolarHBondContact CD-OE1 3.26Å; R37-E70 IonicContact NH1-OE1 3.83Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 3.47Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 3Å
71	N	96	Very high	97.1	Very high	90 Å²	90	60.7 Å²	60.7	48%	0.481	31%	0.306	S	S	.	.			trans	-84.1	66.5	-176.1	-175.5	23.9	0	0	0	112.1	R40 N68	R40-N71 VanDerWaalsContact NH1-C 3.27Å; R40-N71 PolarHBondContact NH1-O 3.31Å; R40-N71 PolarHBondContact NH2-O 2.99Å; N68-N71 HydrophobicContact CB-CB 4.26Å; N68-N71 PolarHBondContact O-N 3.35Å; N68-N71 PolarHBondContact OD1-ND2 3.44Å
72	I	96.6	Very high	97.1	Very high	14 Å²	14	67.9 Å²	67.9	7%	0.072	34%	0.337	C	S	.	.			trans	-98.4	113.8	-173	-55.2	162.5	0	0	0	110.7	F36 R37 E70 F74	F36-I72 HydrophobicContact CB-CD1 4.02Å; R37-I72 HydrophobicContact CB-CD1 4.14Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 3Å; I72-F74 HydrophobicContact CB-CD2 4.34Å; I72-F74 HydrophobicContact CB-CE2 3.85Å; I72-F74 HydrophobicContact CB-CZ 4.19Å; I72-F74 HydrophobicContact CD1-CZ 4.47Å; I72-F74 HydrophobicContact CG2-CD1 4.34Å; I72-F74 HydrophobicContact CG2-CD2 4Å; I72-F74 HydrophobicContact CG2-CE1 4.14Å; I72-F74 HydrophobicContact CG2-CE2 3.75Å; I72-F74 HydrophobicContact CG2-CG 4.28Å; I72-F74 HydrophobicContact CG2-CZ 3.83Å; I72-F74 WeakPolarHBondContact O-CD2 3.48Å; I72-F74 PolarHBondContact O-N 3.41Å
73	D	96.7	Very high	97	Very high	78 Å²	78	74.1 Å²	74.1	42%	0.417	36%	0.359	S	S	.	.			trans	-84.3	93	169.1	-170.2	-20.7	0	0	0	110.4	K75 M76 A77 T94	D73-K75 PolarHBondContact O-N 2.88Å; D73-K75 WeakPolarHBondContact OD1-CB 3.33Å; D73-K75 PolarHBondContact OD1-N 3.11Å; D73-M76 HydrophobicContact CB-CB 4.01Å; D73-M76 PolarHBondContact OD1-N 3.07Å; D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 3.36Å; D73-T94 HydrophobicContact CB-CG2 4.27Å
74	F	95.8	Very high	96.9	Very high	74 Å²	74	71.5 Å²	71.5	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-27.1	178.3	-69.3	-89.6	0	0	0	113.2	D32 R33 F36 I72 A78	D32-F74 HydrophobicContact CB-CE1 4.1Å; R33-F74 HydrophobicContact CB-CZ 4.32Å; F36-F74 HydrophobicContact CD2-CD1 4.42Å; F36-F74 AromaticContact CD2-CE1 3.77Å; F36-F74 HydrophobicContact CD2-CE1 3.77Å; F36-F74 HydrophobicContact CE2-CE1 4.3Å; I72-F74 HydrophobicContact CB-CD2 4.34Å; I72-F74 HydrophobicContact CB-CE2 3.85Å; I72-F74 HydrophobicContact CB-CZ 4.19Å; I72-F74 HydrophobicContact CD1-CZ 4.47Å; I72-F74 HydrophobicContact CG2-CD1 4.34Å; I72-F74 HydrophobicContact CG2-CD2 4Å; I72-F74 HydrophobicContact CG2-CE1 4.14Å; I72-F74 HydrophobicContact CG2-CE2 3.75Å; I72-F74 HydrophobicContact CG2-CG 4.28Å; I72-F74 HydrophobicContact CG2-CZ 3.83Å; I72-F74 WeakPolarHBondContact O-CD2 3.48Å; I72-F74 PolarHBondContact O-N 3.41Å; F74-A78 WeakPolarHBondContact O-CB 3.36Å; F74-A78 PolarHBondContact O-N 3.44Å
75	K	97.5	Very high	96.8	Very high	149 Å²	149	80.8 Å²	80.8	65%	0.648	38%	0.382	S	S	*	.	H	α-helix	trans	-72.3	-48.6	180	-177.1	-175.2	172.3	-170.4	0	109.7	D73 A77 A78 E79	D73-K75 PolarHBondContact O-N 2.88Å; D73-K75 WeakPolarHBondContact OD1-CB 3.33Å; D73-K75 PolarHBondContact OD1-N 3.11Å; K75-A77 VanDerWaalsContact C-N 3.31Å; K75-A77 PolarHBondContact O-N 2.91Å; K75-A78 PolarHBondContact O-N 2.75Å; K75-E79 WeakPolarHBondContact CE-OE1 3.4Å; K75-E79 WeakPolarHBondContact O-CG 3.48Å; K75-E79 PolarHBondContact O-N 3.5Å
76	M	96.7	Very high	96.8	Very high	32 Å²	32	84.2 Å²	84.2	16%	0.158	40%	0.398	C	S	.	.	H	α-helix	trans	-59.2	-44.7	174.7	-175.5	-174.7	-177.6	0	0	111	D73 A78 E79 E80 T94 H97	D73-M76 HydrophobicContact CB-CB 4.01Å; D73-M76 PolarHBondContact OD1-N 3.07Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 2.99Å; M76-E79 PolarHBondContact O-N 3.21Å; M76-E80 HydrophobicContact CE-CG 4.37Å; M76-E80 HydrophobicContact CG-CG 4.27Å; M76-E80 WeakPolarHBondContact O-CB 3.12Å; M76-E80 WeakPolarHBondContact O-CG 3.43Å; M76-E80 PolarHBondContact O-N 2.98Å; M76-T94 HydrophobicContact CB-CG2 4.19Å; M76-T94 HydrophobicContact CG-CG2 4.27Å; M76-T94 HydrophobicContact SD-CG2 4.02Å; M76-H97 HydrophobicContact CE-CB 3.63Å; M76-H97 HydrophobicContact SD-CB 3.89Å
77	A	97.3	Very high	96.7	Very high	3 Å²	3	81.1 Å²	81.1	3%	0.025	39%	0.387	C	S	.	.	H	α-helix	trans	-58.4	-43.3	178	0	0	0	0	0	112.5	D73 K75 E80 E81 T94	D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 3.36Å; K75-A77 VanDerWaalsContact C-N 3.31Å; K75-A77 PolarHBondContact O-N 2.91Å; A77-E80 PolarHBondContact O-N 2.95Å; A77-E81 VanDerWaalsContact O-CB 3.3Å; A77-E81 WeakPolarHBondContact O-CB 3.48Å; A77-E81 PolarHBondContact O-N 3.37Å; A77-T94 WeakPolarHBondContact CA-OG1 3.23Å; A77-T94 HydrophobicContact CB-CG2 4.33Å; A77-T94 PolarHBondContact N-OG1 3.34Å
78	A	96.9	Very high	96.7	Very high	57 Å²	57	77.4 Å²	77.4	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-66.4	-37.8	177.4	0	0	0	0	0	112.9	F74 K75 M76 K82	F74-A78 WeakPolarHBondContact O-CB 3.36Å; F74-A78 PolarHBondContact O-N 3.44Å; K75-A78 PolarHBondContact O-N 2.75Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 2.99Å; A78-K82 WeakPolarHBondContact O-CB 3.33Å; A78-K82 PolarHBondContact O-N 2.97Å
79	E	97.8	Very high	96.6	Very high	115 Å²	115	79.3 Å²	79.3	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-43.5	175.2	-71.5	174	-172.9	0	0	111.4	K75 M76 K82 R83	K75-E79 WeakPolarHBondContact CE-OE1 3.4Å; K75-E79 WeakPolarHBondContact O-CG 3.48Å; K75-E79 PolarHBondContact O-N 3.5Å; M76-E79 PolarHBondContact O-N 3.21Å; E79-K82 PolarHBondContact O-N 3.3Å; E79-R83 PolarHBondContact O-N 3.34Å; E79-R83 VanDerWaalsContact O-N 3.12Å
80	E	97.1	Very high	96.7	Very high	37 Å²	37	78.2 Å²	78.2	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-40.2	176.3	-74.3	-63.8	166.4	0	0	112.1	M76 A77 K82 R83 L84 A90 H93	M76-E80 HydrophobicContact CE-CG 4.37Å; M76-E80 HydrophobicContact CG-CG 4.27Å; M76-E80 WeakPolarHBondContact O-CB 3.12Å; M76-E80 WeakPolarHBondContact O-CG 3.43Å; M76-E80 PolarHBondContact O-N 2.98Å; A77-E80 PolarHBondContact O-N 2.95Å; E80-K82 VanDerWaalsContact C-N 3.34Å; E80-K82 PolarHBondContact O-N 3.02Å; E80-R83 WeakPolarHBondContact O-CB 3.14Å; E80-R83 PolarHBondContact O-N 2.9Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 IonicContact OE1-NE 3.92Å; E80-R83 IonicContact OE1-NH2 3.94Å; E80-R83 IonicContact OE2-CZ 3.14Å; E80-R83 IonicContact OE2-NE 2.83Å; E80-R83 PolarHBondContact OE2-NE 2.7Å; E80-R83 IonicContact OE2-NH2 2.65Å; E80-R83 PolarHBondContact OE2-NH2 2.87Å; E80-L84 WeakPolarHBondContact O-CB 3.4Å; E80-L84 WeakPolarHBondContact O-CG 3.46Å; E80-L84 PolarHBondContact O-N 2.9Å; E80-A90 HydrophobicContact CB-CB 3.7Å; E80-H93 HydrophobicContact CG-CB 4.49Å
81	E	97.4	Very high	96.8	Very high	89 Å²	89	73.6 Å²	73.6	42%	0.416	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-41.5	176.5	-174.8	-179.2	176.1	0	0	110.8	A77 R83 L84 R85 D87 A90	A77-E81 VanDerWaalsContact O-CB 3.3Å; A77-E81 WeakPolarHBondContact O-CB 3.48Å; A77-E81 PolarHBondContact O-N 3.37Å; E81-R83 PolarHBondContact O-N 2.69Å; E81-L84 PolarHBondContact O-N 3.5Å; E81-R85 WeakPolarHBondContact O-CA 3.35Å; E81-R85 PolarHBondContact O-N 3.31Å; E81-D87 HydrophobicContact CG-CB 4.39Å; E81-A90 HydrophobicContact CB-CB 3.76Å; E81-A90 VanDerWaalsContact N-CB 3.27Å
82	K	97.3	Very high	96.9	Very high	180 Å²	180	70.1 Å²	70.1	78%	0.783	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-36.1	174.5	-173.1	178.2	-178.5	179.8	0	112.1	A78 E79 E80	A78-K82 WeakPolarHBondContact O-CB 3.33Å; A78-K82 PolarHBondContact O-N 2.97Å; E79-K82 PolarHBondContact O-N 3.3Å; E80-K82 VanDerWaalsContact C-N 3.34Å; E80-K82 PolarHBondContact O-N 3.02Å
83	R	96.9	Very high	96.9	Very high	146 Å²	146	73.5 Å²	73.5	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-74.6	-48.4	179.5	-174.4	-177.7	69.9	82.2	-4.9	112.2	E79 E80 E81	E79-R83 PolarHBondContact O-N 3.34Å; E79-R83 VanDerWaalsContact O-N 3.12Å; E80-R83 WeakPolarHBondContact O-CB 3.14Å; E80-R83 PolarHBondContact O-N 2.9Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 IonicContact OE1-NE 3.92Å; E80-R83 IonicContact OE1-NH2 3.94Å; E80-R83 IonicContact OE2-CZ 3.14Å; E80-R83 IonicContact OE2-NE 2.83Å; E80-R83 PolarHBondContact OE2-NE 2.7Å; E80-R83 IonicContact OE2-NH2 2.65Å; E80-R83 PolarHBondContact OE2-NH2 2.87Å; E81-R83 PolarHBondContact O-N 2.69Å
84	L	95.5	Very high	97	Very high	53 Å²	53	69.9 Å²	69.9	28%	0.277	32%	0.32	S	S	.	.	H	α-helix	trans	-88.1	-20.4	-172.3	-66.3	171.3	0	0	0	113.2	E80 E81 H86 M89 H93	E80-L84 WeakPolarHBondContact O-CB 3.4Å; E80-L84 WeakPolarHBondContact O-CG 3.46Å; E80-L84 PolarHBondContact O-N 2.9Å; E81-L84 PolarHBondContact O-N 3.5Å; L84-H86 PolarHBondContact O-N 3.48Å; L84-M89 HydrophobicContact CD1-CB 4.1Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.47Å
85	R	96.5	Very high	97.1	Very high	231 Å²	231	66.4 Å²	66.4	87%	0.872	31%	0.305	S	S	*	.	S	Bend	trans	54.2	34.4	-171.1	-55.9	-177.3	176.8	-169.5	-1.2	112.3	E81	E81-R85 WeakPolarHBondContact O-CA 3.35Å; E81-R85 PolarHBondContact O-N 3.31Å
86	H	96.3	Very high	97	Very high	73 Å²	73	59.8 Å²	59.8	34%	0.338	28%	0.279	S	S	.	.			trans	-151.8	112.7	-178.1	-165.5	-36.4	0	0	0	109.9	L84 V88 M89 A90	L84-H86 PolarHBondContact O-N 3.48Å; H86-V88 PolarHBondContact ND1-N 3.48Å; H86-M89 HydrophobicContact CB-CB 4.19Å; H86-M89 HydrophobicContact CB-CG 4.38Å; H86-M89 PolarHBondContact O-N 3.1Å; H86-A90 WeakPolarHBondContact O-CB 3.29Å; H86-A90 PolarHBondContact O-N 3Å
87	D	96.2	Very high	97.1	Very high	47 Å²	47	64.8 Å²	64.8	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-46.6	-175.1	64.9	-24.3	0	0	0	112.9	K35 W39 E81 M89 A90 H91	K35-D87 IonicContact NZ-OD2 3.76Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.41Å; E81-D87 HydrophobicContact CG-CB 4.39Å; D87-M89 PolarHBondContact O-N 3.22Å; D87-A90 WeakPolarHBondContact O-CB 3.5Å; D87-A90 PolarHBondContact O-N 2.93Å; D87-H91 PolarHBondContact O-CD2 3.26Å; D87-H91 PolarHBondContact O-N 3.31Å
88	V	96.8	Very high	97	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.03	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-50.7	177	179.1	0	0	0	0	110.8	W39 W43 H86 A90 H91 V92 V115	W39-V88 HydrophobicContact CH2-CB 4.44Å; W39-V88 HydrophobicContact CH2-CG2 3.54Å; W39-V88 HydrophobicContact CZ2-CG2 4.24Å; W39-V88 HydrophobicContact CZ3-CB 4.27Å; W39-V88 HydrophobicContact CZ3-CG2 3.84Å; W43-V88 HydrophobicContact CZ2-CG1 4.12Å; H86-V88 PolarHBondContact ND1-N 3.48Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 3.37Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 3.26Å; V88-H91 VanDerWaalsContact O-N 3.13Å; V88-V92 HydrophobicContact CG1-CG2 4.36Å; V88-V92 WeakPolarHBondContact O-CG2 3.39Å; V88-V92 PolarHBondContact O-N 2.81Å; V88-V115 HydrophobicContact CG1-CG2 3.84Å; V88-V115 HydrophobicContact CG2-CG2 3.92Å
89	M	96.4	Very high	97	Very high	67 Å²	67	63.4 Å²	63.4	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-36.6	-179.9	-66.8	-53.2	-56.9	0	0	112	L84 H86 D87 H91 V92 H93	L84-M89 HydrophobicContact CD1-CB 4.1Å; H86-M89 HydrophobicContact CB-CB 4.19Å; H86-M89 HydrophobicContact CB-CG 4.38Å; H86-M89 PolarHBondContact O-N 3.1Å; D87-M89 PolarHBondContact O-N 3.22Å; M89-H91 VanDerWaalsContact C-N 3.31Å; M89-H91 PolarHBondContact O-N 3.31Å; M89-V92 HydrophobicContact CE-CG1 4.46Å; M89-V92 PolarHBondContact O-N 3.05Å; M89-H93 PolarHBondContact O-CD2 3.39Å; M89-H93 PolarHBondContact O-N 3.44Å
90	A	97.5	Very high	97	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-43.6	173.2	0	0	0	0	0	112.1	E80 E81 H86 D87 V88 H93 T94	E80-A90 HydrophobicContact CB-CB 3.7Å; E81-A90 HydrophobicContact CB-CB 3.76Å; E81-A90 VanDerWaalsContact N-CB 3.27Å; H86-A90 WeakPolarHBondContact O-CB 3.29Å; H86-A90 PolarHBondContact O-N 3Å; D87-A90 WeakPolarHBondContact O-CB 3.5Å; D87-A90 PolarHBondContact O-N 2.93Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 3.37Å; A90-H93 PolarHBondContact O-N 2.92Å; A90-T94 WeakPolarHBondContact O-CB 3.3Å; A90-T94 PolarHBondContact O-N 3.48Å; A90-T94 PolarHBondContact O-OG1 3.49Å
91	H	97.8	Very high	97	Very high	6 Å²	6	66 Å²	66	3%	0.028	31%	0.307	C	S	.	.	H	α-helix	trans	-71.8	-31.2	176.2	-83.4	-92.5	0	0	0	113.4	F36 W39 W43 D87 V88 M89 F95	F36-H91 AromaticContact CD1-CD2 3.82Å; F36-H91 AromaticContact CD1-CE1 3.26Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.42Å; F36-H91 AromaticContact CD1-CG 3.82Å; F36-H91 AromaticContact CD1-ND1 3.48Å; F36-H91 WeakPolarHBondContact CD1-ND1 3.18Å; F36-H91 AromaticContact CD1-NE2 3.48Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.48Å; F36-H91 AromaticContact CD2-CE1 3.52Å; F36-H91 AromaticContact CD2-NE2 3.91Å; F36-H91 AromaticContact CE1-CD2 3.5Å; F36-H91 AromaticContact CE1-CE1 3.51Å; F36-H91 AromaticContact CE1-CG 3.98Å; F36-H91 AromaticContact CE1-ND1 3.98Å; F36-H91 AromaticContact CE1-NE2 3.18Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.04Å; F36-H91 AromaticContact CE2-CE1 3.75Å; F36-H91 AromaticContact CE2-NE2 3.65Å; F36-H91 AromaticContact CG-CE1 3.27Å; F36-H91 WeakPolarHBondContact CG-CE1 3.4Å; F36-H91 AromaticContact CG-ND1 3.71Å; F36-H91 AromaticContact CG-NE2 3.84Å; F36-H91 AromaticContact CZ-CD2 4Å; F36-H91 AromaticContact CZ-CE1 3.74Å; F36-H91 AromaticContact CZ-NE2 3.27Å; F36-H91 VanDerWaalsContact CZ-NE2 3.27Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.35Å; W39-H91 HydrophobicContact CE3-CB 4.02Å; W39-H91 HydrophobicContact CZ3-CB 4.11Å; W43-H91 HydrophobicContact CH2-CB 3.97Å; W43-H91 HydrophobicContact CZ3-CB 4.42Å; D87-H91 PolarHBondContact O-CD2 3.26Å; D87-H91 PolarHBondContact O-N 3.31Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 3.26Å; V88-H91 VanDerWaalsContact O-N 3.13Å; M89-H91 VanDerWaalsContact C-N 3.31Å; M89-H91 PolarHBondContact O-N 3.31Å; H91-F95 VanDerWaalsContact O-CB 3.23Å; H91-F95 WeakPolarHBondContact O-CB 3.39Å; H91-F95 PolarHBondContact O-N 2.9Å
92	V	97.5	Very high	96.9	Very high	17 Å²	17	61.8 Å²	61.8	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-49.2	170.3	169.6	0	0	0	0	110.3	W43 V88 M89 F95 G96 I106 H107	W43-V92 HydrophobicContact CH2-CG2 3.92Å; W43-V92 HydrophobicContact CZ2-CG2 3.5Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.5Å; V88-V92 HydrophobicContact CG1-CG2 4.36Å; V88-V92 WeakPolarHBondContact O-CG2 3.39Å; V88-V92 PolarHBondContact O-N 2.81Å; M89-V92 HydrophobicContact CE-CG1 4.46Å; M89-V92 PolarHBondContact O-N 3.05Å; V92-F95 PolarHBondContact O-N 3Å; V92-G96 PolarHBondContact O-N 3.23Å; V92-I106 HydrophobicContact CG1-CG2 4.08Å; V92-I106 HydrophobicContact CG2-CG2 4.33Å; V92-H107 HydrophobicContact CG2-CB 3.91Å
93	H	97.1	Very high	96.9	Very high	84 Å²	84	55.3 Å²	55.3	39%	0.389	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.1	-79.6	-73.2	0	0	0	112.2	E80 L84 M89 A90 F95 G96 H97	E80-H93 HydrophobicContact CG-CB 4.49Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.47Å; M89-H93 PolarHBondContact O-CD2 3.39Å; M89-H93 PolarHBondContact O-N 3.44Å; A90-H93 PolarHBondContact O-N 2.92Å; H93-F95 VanDerWaalsContact C-N 3.33Å; H93-F95 PolarHBondContact O-N 3.12Å; H93-G96 PolarHBondContact O-N 3.21Å; H93-H97 PolarHBondContact O-N 2.91Å
94	T	97.8	Very high	96.8	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-40.1	178.4	-57.2	0	0	0	0	111.4	D73 M76 A77 A90 H97	D73-T94 HydrophobicContact CB-CG2 4.27Å; M76-T94 HydrophobicContact CB-CG2 4.19Å; M76-T94 HydrophobicContact CG-CG2 4.27Å; M76-T94 HydrophobicContact SD-CG2 4.02Å; A77-T94 WeakPolarHBondContact CA-OG1 3.23Å; A77-T94 HydrophobicContact CB-CG2 4.33Å; A77-T94 PolarHBondContact N-OG1 3.34Å; A90-T94 WeakPolarHBondContact O-CB 3.3Å; A90-T94 PolarHBondContact O-N 3.48Å; A90-T94 PolarHBondContact O-OG1 3.49Å; T94-H97 PolarHBondContact O-N 2.92Å
95	F	98	Very high	96.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.7	-39.6	177.9	-167.9	-148.3	0	0	0	111.8	R40 W43 M65 N68 H91 V92 H93 H97 C98 C99 I106	R40-F95 HydrophobicContact CB-CE1 4.11Å; R40-F95 HydrophobicContact CB-CE2 4.47Å; R40-F95 HydrophobicContact CB-CZ 4.05Å; R40-F95 HydrophobicContact CG-CD1 3.99Å; R40-F95 HydrophobicContact CG-CD2 4.08Å; R40-F95 HydrophobicContact CG-CE1 3.97Å; R40-F95 HydrophobicContact CG-CE2 4.07Å; R40-F95 HydrophobicContact CG-CG 4.06Å; R40-F95 HydrophobicContact CG-CZ 4.02Å; R40-F95 VanDerWaalsContact CZ-CD2 3.44Å; W43-F95 AromaticContact CE3-CD1 3.8Å; W43-F95 HydrophobicContact CE3-CD1 3.8Å; W43-F95 HydrophobicContact CE3-CE1 4.31Å; W43-F95 HydrophobicContact CZ3-CD1 4.33Å; M65-F95 HydrophobicContact CB-CE1 4.37Å; M65-F95 HydrophobicContact CB-CZ 3.89Å; M65-F95 HydrophobicContact CE-CE1 3.91Å; M65-F95 HydrophobicContact CG-CE1 4.18Å; M65-F95 HydrophobicContact CG-CZ 4.08Å; N68-F95 HydrophobicContact CB-CE2 3.96Å; H91-F95 VanDerWaalsContact O-CB 3.23Å; H91-F95 WeakPolarHBondContact O-CB 3.39Å; H91-F95 PolarHBondContact O-N 2.9Å; V92-F95 PolarHBondContact O-N 3Å; H93-F95 VanDerWaalsContact C-N 3.33Å; H93-F95 PolarHBondContact O-N 3.12Å; F95-H97 PolarHBondContact O-N 2.81Å; F95-C98 PolarHBondContact O-N 3.34Å; F95-C98 PolarHBondContact O-SG 3.25Å; F95-C99 WeakPolarHBondContact CE2-SG 3.34Å; F95-C99 WeakPolarHBondContact O-CB 3.25Å; F95-C99 PolarHBondContact O-N 3.2Å; F95-I106 HydrophobicContact CB-CD1 4.26Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.14Å; F95-I106 HydrophobicContact CD1-CG2 4.15Å; F95-I106 HydrophobicContact CE1-CD1 4.22Å; F95-I106 HydrophobicContact CE1-CG1 4.47Å; F95-I106 HydrophobicContact CG-CD1 4.03Å
96	G	97.3	Very high	96.8	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-28.7	172.5	0	0	0	0	0	113.4	V92 H93 C99 P100	V92-G96 PolarHBondContact O-N 3.23Å; H93-G96 PolarHBondContact O-N 3.21Å; G96-C99 CarbonylContact O-C 3.59Å; G96-C99 PolarHBondContact O-N 2.71Å; G96-P100 WeakPolarHBondContact O-CA 3.48Å
97	H	97.4	Very high	96.8	Very high	137 Å²	137	37.5 Å²	37.5	63%	0.634	22%	0.218	S	C	*	.	H	α-helix	trans	-68.2	-41.1	175.9	-178.6	-92.7	0	0	0	113	M76 H93 T94 F95 C99	M76-H97 HydrophobicContact CE-CB 3.63Å; M76-H97 HydrophobicContact SD-CB 3.89Å; H93-H97 PolarHBondContact O-N 2.91Å; T94-H97 PolarHBondContact O-N 2.92Å; F95-H97 PolarHBondContact O-N 2.81Å; H97-C99 VanDerWaalsContact C-N 3.35Å
98	C	96.1	Very high	96.8	Very high	32 Å²	32	38.5 Å²	38.5	22%	0.216	22%	0.223	C	C	.	.	H	α-helix	trans	-82.5	-13.7	173.3	61.1	0	0	0	0	113.6	F95 P100	F95-C98 PolarHBondContact O-N 3.34Å; F95-C98 PolarHBondContact O-SG 3.25Å; C98-P100 VanDerWaalsContact C-CD 3.5Å
99	C	96.9	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.262	C	S	.	.			trans	-124.7	68.9	177.7	-58.3	0	0	0	0	111.1	E64 F95 G96 H97 K101 A102 A103 I106	E64-C99 VanDerWaalsContact CD-CA 3.45Å; E64-C99 HydrophobicContact CG-CB 3.93Å; E64-C99 WeakPolarHBondContact OE2-CA 3.33Å; E64-C99 WeakPolarHBondContact OE2-CB 3.29Å; F95-C99 WeakPolarHBondContact CE2-SG 3.34Å; F95-C99 WeakPolarHBondContact O-CB 3.25Å; F95-C99 PolarHBondContact O-N 3.2Å; G96-C99 CarbonylContact O-C 3.59Å; G96-C99 PolarHBondContact O-N 2.71Å; H97-C99 VanDerWaalsContact C-N 3.35Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 2.79Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.12Å; C99-A102 PolarHBondContact O-N 3.44Å; C99-A102 VanDerWaalsContact O-N 3.16Å; C99-A103 PolarHBondContact O-N 2.66Å; C99-I106 HydrophobicContact CB-CD1 4.45Å
100	P	97.1	Very high	96.5	Very high	94 Å²	94	40.3 Å²	40.3	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.6	-173.4	25.8	-35.9	0	0	0	113.6	E64 G96 C98	E64-P100 WeakPolarHBondContact OE1-CD 3.47Å; G96-P100 WeakPolarHBondContact O-CA 3.48Å; C98-P100 VanDerWaalsContact C-CD 3.5Å
101	K	96.6	Very high	96.4	Very high	112 Å²	112	44.8 Å²	44.8	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-39.1	176.2	-59.6	179.2	174.9	-170.9	0	110.9	E60 Q61 E64 C99	E60-K101 IonicContact OE2-NZ 2.74Å; E60-K101 PolarHBondContact OE2-NZ 3.18Å; Q61-K101 HydrophobicContact CG-CB 4.23Å; Q61-K101 WeakPolarHBondContact CG-O 3.4Å; Q61-K101 PolarHBondContact NE2-O 3.05Å; E64-K101 WeakPolarHBondContact OE2-CA 3.38Å; E64-K101 VanDerWaalsContact OE2-CB 3.3Å; E64-K101 WeakPolarHBondContact OE2-CB 3.39Å; E64-K101 PolarHBondContact OE2-N 3.35Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 2.79Å
102	A	96.4	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.6	-179.4	0	0	0	0	0	114	Q61 E64 M65 C99 G104 I105 I106	Q61-A102 HydrophobicContact CB-CB 4.01Å; Q61-A102 HydrophobicContact CG-CB 4.45Å; E64-A102 PolarHBondContact OE2-N 3.27Å; M65-A102 HydrophobicContact CG-CB 3.52Å; M65-A102 HydrophobicContact SD-CB 3.84Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.12Å; C99-A102 PolarHBondContact O-N 3.44Å; C99-A102 VanDerWaalsContact O-N 3.16Å; A102-G104 PolarHBondContact O-N 3.13Å; A102-I105 HydrophobicContact CB-CD1 3.98Å; A102-I105 HydrophobicContact CB-CG1 4.41Å; A102-I105 WeakPolarHBondContact O-CD1 3.25Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.26Å; A102-I105 PolarHBondContact O-N 3.09Å; A102-I106 HydrophobicContact CB-CD1 4.42Å; A102-I106 HydrophobicContact CB-CG1 4.39Å; A102-I106 WeakPolarHBondContact O-CG1 3.39Å; A102-I106 PolarHBondContact O-N 3.22Å; A102-I106 VanDerWaalsContact O-N 3.16Å
103	A	96.1	Very high	95.7	Very high	44 Å²	44	49.1 Å²	49.1	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-36.9	-172.9	0	0	0	0	0	114.9	C99	C99-A103 PolarHBondContact O-N 2.66Å
104	G	95.3	Very high	95.6	Very high	70 Å²	70	47.7 Å²	47.7	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.9	-179.9	0	0	0	0	0	115.6	A102	A102-G104 PolarHBondContact O-N 3.13Å
105	I	96.7	Very high	95.3	Very high	20 Å²	20	47.6 Å²	47.6	10%	0.103	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-9.1	-179.1	61.9	69.9	0	0	0	112.9	A47 I57 Q61 M65 A102 H107 L108	A47-I105 HydrophobicContact CB-CD1 4.15Å; I57-I105 HydrophobicContact CG1-CB 4.46Å; I57-I105 HydrophobicContact CG1-CG2 4.32Å; Q61-I105 HydrophobicContact CB-CG1 4.41Å; M65-I105 HydrophobicContact SD-CD1 3.6Å; A102-I105 HydrophobicContact CB-CD1 3.98Å; A102-I105 HydrophobicContact CB-CG1 4.41Å; A102-I105 WeakPolarHBondContact O-CD1 3.25Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.26Å; A102-I105 PolarHBondContact O-N 3.09Å; I105-H107 PolarHBondContact O-N 3.47Å; I105-L108 WeakPolarHBondContact O-CB 3.34Å; I105-L108 PolarHBondContact O-N 2.99Å
106	I	95.9	Very high	94.9	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.062	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	127.6	175.4	-66.6	165.4	0	0	0	108.7	W43 M65 V92 F95 C99 A102 L108	W43-I106 HydrophobicContact CD2-CG2 4.04Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4.17Å; M65-I106 HydrophobicContact CE-CG1 4.19Å; M65-I106 HydrophobicContact SD-CG1 4.45Å; V92-I106 HydrophobicContact CG1-CG2 4.08Å; V92-I106 HydrophobicContact CG2-CG2 4.33Å; F95-I106 HydrophobicContact CB-CD1 4.26Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.14Å; F95-I106 HydrophobicContact CD1-CG2 4.15Å; F95-I106 HydrophobicContact CE1-CD1 4.22Å; F95-I106 HydrophobicContact CE1-CG1 4.47Å; F95-I106 HydrophobicContact CG-CD1 4.03Å; C99-I106 HydrophobicContact CB-CD1 4.45Å; A102-I106 HydrophobicContact CB-CD1 4.42Å; A102-I106 HydrophobicContact CB-CG1 4.39Å; A102-I106 WeakPolarHBondContact O-CG1 3.39Å; A102-I106 PolarHBondContact O-N 3.22Å; A102-I106 VanDerWaalsContact O-N 3.16Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.27Å
107	H	96.6	Very high	94.6	Very high	28 Å²	28	53 Å²	53	13%	0.13	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	19.3	180	-155.6	49.1	0	0	0	115.2	W43 V92 I105 G109 A110 T111	W43-H107 AromaticContact CD1-ND1 3.91Å; W43-H107 AromaticContact NE1-CG 3.58Å; W43-H107 AromaticContact NE1-ND1 3.1Å; W43-H107 PolarHBondContact NE1-ND1 3.26Å; V92-H107 HydrophobicContact CG2-CB 3.91Å; I105-H107 PolarHBondContact O-N 3.47Å; H107-G109 PolarHBondContact O-N 3.41Å; H107-A110 WeakPolarHBondContact ND1-CB 3.19Å; H107-A110 PolarHBondContact O-N 3.13Å; H107-T111 VanDerWaalsContact CE1-C 3.42Å; H107-T111 PolarHBondContact CE1-O 2.86Å
108	L	94.7	Very high	94.3	Very high	68 Å²	68	49.7 Å²	49.7	36%	0.356	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130.7	177.2	-173.4	65.4	0	0	0	111	I105 I106 A110	I105-L108 WeakPolarHBondContact O-CB 3.34Å; I105-L108 PolarHBondContact O-N 2.99Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.27Å; L108-A110 PolarHBondContact O-N 3.08Å
109	G	92.2	Very high	94.1	Very high	83 Å²	83	48.6 Å²	48.6	86%	0.856	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-3.5	177.1	0	0	0	0	0	116.5	H107	H107-G109 PolarHBondContact O-N 3.41Å
110	A	95	Very high	93.6	Very high	27 Å²	27	51.4 Å²	51.4	22%	0.223	34%	0.342	C	S	.	.			trans	-95.8	164.5	-176.5	0	0	0	0	0	112.4	L46 H107 L108 Y114	L46-A110 HydrophobicContact CD2-CB 3.86Å; H107-A110 WeakPolarHBondContact ND1-CB 3.19Å; H107-A110 PolarHBondContact O-N 3.13Å; L108-A110 PolarHBondContact O-N 3.08Å; A110-Y114 HydrophobicContact CB-CD1 4.13Å; A110-Y114 HydrophobicContact CB-CG 4.13Å
111	T	95.1	Very high	92.9	Very high	94 Å²	94	50.8 Å²	50.8	58%	0.577	34%	0.339	S	S	*	.			trans	-117.8	165.3	170.9	61.9	0	0	0	0	109.6	H107 C113 Y114	H107-T111 VanDerWaalsContact CE1-C 3.42Å; H107-T111 PolarHBondContact CE1-O 2.86Å; T111-C113 PolarHBondContact O-N 2.93Å; T111-Y114 WeakPolarHBondContact O-CB 3.08Å; T111-Y114 PolarHBondContact O-N 3.19Å
112	S	90.9	Very high	92.4	Very high	49 Å²	49	47.8 Å²	47.8	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-50	-36.8	-179.2	52.5	0	0	0	0	114.1	Y114 V115 G116	S112-Y114 PolarHBondContact O-N 3.16Å; S112-V115 WeakPolarHBondContact O-CG2 3.49Å; S112-V115 PolarHBondContact O-N 3.28Å; S112-G116 PolarHBondContact O-N 3.23Å
113	C	91.6	Very high	91.8	Very high	64 Å²	64	48.3 Å²	48.3	43%	0.432	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-25.5	178	-66.8	0	0	0	0	113.2	T111 V115 D117	T111-C113 PolarHBondContact O-N 2.93Å; C113-V115 VanDerWaalsContact C-N 3.28Å; C113-V115 PolarHBondContact O-N 2.96Å; C113-D117 WeakPolarHBondContact O-CB 3.42Å; C113-D117 PolarHBondContact O-N 2.83Å
114	Y	95	Very high	91.1	Very high	55 Å²	55	50.1 Å²	50.1	22%	0.216	34%	0.338	C	S	.	.	H	α-helix	trans	-57	-43	174.7	174	-106.3	0	0	0	111.6	L42 L46 A110 T111 S112 N118	L42-Y114 HydrophobicContact CB-CE1 3.87Å; L42-Y114 PolarHBondContact O-OH 3.33Å; L46-Y114 HydrophobicContact CB-CE1 4.05Å; L46-Y114 HydrophobicContact CD2-CD1 4.34Å; L46-Y114 HydrophobicContact CD2-CE1 4.01Å; A110-Y114 HydrophobicContact CB-CD1 4.13Å; A110-Y114 HydrophobicContact CB-CG 4.13Å; T111-Y114 WeakPolarHBondContact O-CB 3.08Å; T111-Y114 PolarHBondContact O-N 3.19Å; S112-Y114 PolarHBondContact O-N 3.16Å; Y114-N118 VanDerWaalsContact O-CB 3.32Å; Y114-N118 WeakPolarHBondContact O-CB 3.41Å; Y114-N118 PolarHBondContact O-ND2 2.76Å
115	V	91.4	Very high	90.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-90.8	-37.1	178.5	-65.8	0	0	0	0	112.5	W39 L42 W43 V88 S112 C113 T119	W39-V115 HydrophobicContact CB-CB 4.33Å; W39-V115 HydrophobicContact CB-CG1 4.47Å; W39-V115 HydrophobicContact CD2-CB 4.02Å; W39-V115 HydrophobicContact CD2-CG2 3.93Å; W39-V115 HydrophobicContact CE3-CG2 4.23Å; W39-V115 HydrophobicContact CG-CB 3.86Å; W39-V115 HydrophobicContact CG-CG2 4.3Å; W39-V115 HydrophobicContact CZ2-CG2 4.28Å; W39-V115 PolarHBondContact NE1-O 3.13Å; L42-V115 HydrophobicContact CB-CG1 4.36Å; L42-V115 HydrophobicContact CD1-CB 4.49Å; W43-V115 HydrophobicContact CD2-CG1 4.23Å; W43-V115 HydrophobicContact CG-CG1 4.45Å; W43-V115 HydrophobicContact CZ2-CG1 3.92Å; W43-V115 HydrophobicContact CZ2-CG2 4.23Å; V88-V115 HydrophobicContact CG1-CG2 3.84Å; V88-V115 HydrophobicContact CG2-CG2 3.92Å; S112-V115 WeakPolarHBondContact O-CG2 3.49Å; S112-V115 PolarHBondContact O-N 3.28Å; C113-V115 VanDerWaalsContact C-N 3.28Å; C113-V115 PolarHBondContact O-N 2.96Å; V115-T119 WeakPolarHBondContact O-CB 3.42Å; V115-T119 PolarHBondContact O-N 3.47Å; V115-T119 PolarHBondContact O-OG1 3.2Å
116	G	88.8	Confident	90.2	Very high	27 Å²	27	53.1 Å²	53.1	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-59.1	-179.8	0	0	0	0	0	112.4	S112 T119 A120	S112-G116 PolarHBondContact O-N 3.23Å; G116-T119 PolarHBondContact O-N 3.17Å; G116-A120 PolarHBondContact O-N 3.23Å; G116-A120 VanDerWaalsContact O-N 3.07Å
117	D	91.4	Very high	89.6	Confident	96 Å²	96	56.5 Å²	56.5	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-75.5	-42.2	-168.8	-62	9.6	0	0	0	111	C113 T119 A120 C121	C113-D117 WeakPolarHBondContact O-CB 3.42Å; C113-D117 PolarHBondContact O-N 2.83Å; D117-T119 VanDerWaalsContact C-N 3.27Å; D117-T119 PolarHBondContact O-N 3.44Å; D117-A120 WeakPolarHBondContact O-CB 3.21Å; D117-A120 PolarHBondContact O-N 3.05Å; D117-A120 VanDerWaalsContact O-N 3.11Å; D117-C121 PolarHBondContact O-N 3.22Å; D117-C121 PolarHBondContact O-SG 3.23Å; D117-C121 VanDerWaalsContact O-SG 3.36Å
118	N	91.5	Very high	88.9	Confident	69 Å²	69	59.3 Å²	59.3	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-65	-32.6	177.3	-69.5	-50.2	0	0	0	112.2	L42 Y114 C121 T122	L42-N118 HydrophobicContact CD1-CB 3.93Å; L42-N118 HydrophobicContact CD2-CB 4.1Å; Y114-N118 VanDerWaalsContact O-CB 3.32Å; Y114-N118 WeakPolarHBondContact O-CB 3.41Å; Y114-N118 PolarHBondContact O-ND2 2.76Å; N118-C121 PolarHBondContact O-N 3.26Å; N118-T122 WeakPolarHBondContact O-CB 2.88Å; N118-T122 PolarHBondContact O-N 2.87Å; N118-T122 PolarHBondContact O-OG1 3.44Å
119	T	91.4	Very high	88.5	Confident	8 Å²	8	59 Å²	59	5%	0.049	36%	0.362	C	S	.	.	H	α-helix	trans	-69.6	-39.2	173.5	-59.3	0	0	0	0	111.1	K35 T38 W39 L42 V115 G116 D117 T122 A123	K35-T119 HydrophobicContact CG-CG2 4.33Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; W39-T119 PolarHBondContact NE1-OG1 3.18Å; L42-T119 VanDerWaalsContact CD1-OG1 3.29Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.22Å; V115-T119 WeakPolarHBondContact O-CB 3.42Å; V115-T119 PolarHBondContact O-N 3.47Å; V115-T119 PolarHBondContact O-OG1 3.2Å; G116-T119 PolarHBondContact O-N 3.17Å; D117-T119 VanDerWaalsContact C-N 3.27Å; D117-T119 PolarHBondContact O-N 3.44Å; T119-T122 PolarHBondContact O-N 3.26Å; T119-A123 PolarHBondContact O-N 3.4Å
120	A	85.3	Confident	88.3	Confident	59 Å²	59	57 Å²	57	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-46.9	174	0	0	0	0	0	111.1	G116 D117 T122 A123 D124	G116-A120 PolarHBondContact O-N 3.23Å; G116-A120 VanDerWaalsContact O-N 3.07Å; D117-A120 WeakPolarHBondContact O-CB 3.21Å; D117-A120 PolarHBondContact O-N 3.05Å; D117-A120 VanDerWaalsContact O-N 3.11Å; A120-T122 VanDerWaalsContact C-N 3.29Å; A120-T122 PolarHBondContact O-N 3.41Å; A120-A123 PolarHBondContact O-N 2.82Å; A120-D124 WeakPolarHBondContact O-CB 3.4Å; A120-D124 PolarHBondContact O-N 3.05Å
121	C	84.1	Confident	87.9	Confident	81 Å²	81	59.1 Å²	59.1	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-36.5	174.4	-64.3	0	0	0	0	112.8	D117 N118 D124 H125	D117-C121 PolarHBondContact O-N 3.22Å; D117-C121 PolarHBondContact O-SG 3.23Å; D117-C121 VanDerWaalsContact O-SG 3.36Å; N118-C121 PolarHBondContact O-N 3.26Å; C121-D124 WeakPolarHBondContact O-CB 3.34Å; C121-D124 PolarHBondContact O-N 3.41Å; C121-H125 PolarHBondContact O-N 3.25Å
122	T	85.4	Confident	87.5	Confident	50 Å²	50	58.6 Å²	58.6	31%	0.307	34%	0.338	S	S	.	.	H	α-helix	trans	-69.4	-40.6	178	-53.9	0	0	0	0	111.7	T38 N118 T119 A120 D124 S126	T38-T122 HydrophobicContact CG2-CG2 4.48Å; N118-T122 WeakPolarHBondContact O-CB 2.88Å; N118-T122 PolarHBondContact O-N 2.87Å; N118-T122 PolarHBondContact O-OG1 3.44Å; T119-T122 PolarHBondContact O-N 3.26Å; A120-T122 VanDerWaalsContact C-N 3.29Å; A120-T122 PolarHBondContact O-N 3.41Å; T122-D124 VanDerWaalsContact C-N 3.31Å; T122-S126 WeakPolarHBondContact O-CB 3.44Å; T122-S126 PolarHBondContact O-N 3.05Å; T122-S126 PolarHBondContact O-OG 3.19Å
123	A	84	Confident	87.2	Confident	11 Å²	11	61.8 Å²	61.8	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-38.7	172.4	0	0	0	0	0	110.9	V29 F30 T119 A120 S126 W127	V29-A123 HydrophobicContact CG1-CB 3.97Å; F30-A123 HydrophobicContact CE1-CB 4.43Å; T119-A123 PolarHBondContact O-N 3.4Å; A120-A123 PolarHBondContact O-N 2.82Å; A123-S126 PolarHBondContact O-N 3.14Å; A123-W127 PolarHBondContact O-N 3.15Å
124	D	81.6	Confident	86.8	Confident	81 Å²	81	62.9 Å²	62.9	43%	0.433	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-54.3	175.2	-158	54.8	0	0	0	110.7	A120 C121 T122 S126 W127 E128	A120-D124 WeakPolarHBondContact O-CB 3.4Å; A120-D124 PolarHBondContact O-N 3.05Å; C121-D124 WeakPolarHBondContact O-CB 3.34Å; C121-D124 PolarHBondContact O-N 3.41Å; T122-D124 VanDerWaalsContact C-N 3.31Å; D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 PolarHBondContact O-N 2.91Å; D124-W127 PolarHBondContact O-N 3.3Å; D124-W127 PolarHBondContact O-NE1 3.25Å; D124-W127 PolarHBondContact OD1-NE1 3.32Å; D124-E128 PolarHBondContact O-N 3.09Å
125	H	87.4	Confident	86.1	Confident	124 Å²	124	63.1 Å²	63.1	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-62.2	-34.5	177.5	-171.8	58.7	0	0	0	113.4	C121 T129	C121-H125 PolarHBondContact O-N 3.25Å; H125-T129 PolarHBondContact O-N 3.28Å; H125-T129 PolarHBondContact O-OG1 3.47Å
126	S	85.4	Confident	85.3	Confident	29 Å²	29	65.3 Å²	65.3	20%	0.203	39%	0.385	C	S	.	.	H	α-helix	trans	-68.3	-41.7	179.3	-61	0	0	0	0	112.4	Y34 T122 A123 D124 T129 L130	Y34-S126 PolarHBondContact OH-OG 3.29Å; Y34-S126 VanDerWaalsContact OH-OG 3.08Å; T122-S126 WeakPolarHBondContact O-CB 3.44Å; T122-S126 PolarHBondContact O-N 3.05Å; T122-S126 PolarHBondContact O-OG 3.19Å; A123-S126 PolarHBondContact O-N 3.14Å; D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 PolarHBondContact O-N 2.91Å; S126-T129 PolarHBondContact O-N 2.94Å; S126-L130 WeakPolarHBondContact O-CG 3.27Å; S126-L130 PolarHBondContact O-N 3.23Å; S126-L130 VanDerWaalsContact O-N 3.13Å
127	W	82.2	Confident	84.2	Confident	84 Å²	84	67.9 Å²	67.9	32%	0.318	40%	0.399	S	S	.	.	H	α-helix	trans	-69.1	-40.7	177.8	82	-88.6	0	0	0	111.7	M26 F30 A123 D124 T129 L130 L131	M26-W127 HydrophobicContact CE-CB 3.9Å; M26-W127 HydrophobicContact SD-CB 3.67Å; F30-W127 HydrophobicContact CE2-CB 4.34Å; F30-W127 HydrophobicContact CZ-CB 4.36Å; A123-W127 PolarHBondContact O-N 3.15Å; D124-W127 PolarHBondContact O-N 3.3Å; D124-W127 PolarHBondContact O-NE1 3.25Å; D124-W127 PolarHBondContact OD1-NE1 3.32Å; W127-T129 PolarHBondContact O-N 2.77Å; W127-L130 PolarHBondContact O-N 2.89Å; W127-L130 VanDerWaalsContact O-N 3.16Å; W127-L131 HydrophobicContact CD2-CD1 4.48Å; W127-L131 HydrophobicContact CE3-CD1 3.23Å; W127-L131 HydrophobicContact CE3-CG 3.89Å; W127-L131 HydrophobicContact CH2-CD1 4.25Å; W127-L131 HydrophobicContact CZ3-CD1 3.11Å; W127-L131 HydrophobicContact CZ3-CG 4.24Å; W127-L131 PolarHBondContact O-N 3.46Å
128	E	83.1	Confident	82.6	Confident	87 Å²	87	69.7 Å²	69.7	41%	0.407	41%	0.408	S	S	.	.	H	α-helix	trans	-58.1	-41.3	177.1	-72.3	-172.5	150.4	0	0	111.2	D124 L131 S132	D124-E128 PolarHBondContact O-N 3.09Å; E128-L131 PolarHBondContact O-N 3.48Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.23Å; E128-S132 PolarHBondContact O-OG 3.41Å
129	T	85.4	Confident	80.8	Confident	62 Å²	62	74.5 Å²	74.5	38%	0.38	43%	0.427	S	S	.	.	H	α-helix	trans	-63.1	-47.2	176.6	-57.8	0	0	0	0	111.3	H125 S126 W127 L131 S132 L133	H125-T129 PolarHBondContact O-N 3.28Å; H125-T129 PolarHBondContact O-OG1 3.47Å; S126-T129 PolarHBondContact O-N 2.94Å; W127-T129 PolarHBondContact O-N 2.77Å; T129-L131 PolarHBondContact O-N 3.49Å; T129-S132 PolarHBondContact O-N 3.32Å; T129-L133 HydrophobicContact CG2-CD1 4.37Å; T129-L133 WeakPolarHBondContact O-CG 3.39Å; T129-L133 PolarHBondContact O-N 3.07Å; T129-L133 VanDerWaalsContact O-N 3.09Å
130	L	87.4	Confident	78.7	Confident	40 Å²	40	77.1 Å²	77.1	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-61.2	-44.6	178.5	-72.5	174.4	0	0	0	111.9	E25 M26 V29 S126 W127 S132 L133 D134	E25-L130 HydrophobicContact CB-CD1 4.21Å; E25-L130 HydrophobicContact CB-CD2 4.26Å; M26-L130 HydrophobicContact CE-CB 3.87Å; M26-L130 HydrophobicContact CE-CD1 4.01Å; M26-L130 HydrophobicContact SD-CD1 4.35Å; V29-L130 HydrophobicContact CG2-CD1 3.97Å; S126-L130 WeakPolarHBondContact O-CG 3.27Å; S126-L130 PolarHBondContact O-N 3.23Å; S126-L130 VanDerWaalsContact O-N 3.13Å; W127-L130 PolarHBondContact O-N 2.89Å; W127-L130 VanDerWaalsContact O-N 3.16Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 2.91Å; L130-L133 PolarHBondContact O-N 3.2Å; L130-D134 PolarHBondContact O-N 2.98Å
131	L	87	Confident	76.6	Confident	72 Å²	72	78.3 Å²	78.3	38%	0.377	46%	0.461	S	S	.	.	H	α-helix	trans	-64.3	-36.8	177.4	-74	-168.8	0	0	0	113.2	M26 W127 E128 T129 L133 D134 S135	M26-L131 HydrophobicContact CE-CD2 4.33Å; M26-L131 HydrophobicContact CE-CG 4.39Å; W127-L131 HydrophobicContact CD2-CD1 4.48Å; W127-L131 HydrophobicContact CE3-CD1 3.23Å; W127-L131 HydrophobicContact CE3-CG 3.89Å; W127-L131 HydrophobicContact CH2-CD1 4.25Å; W127-L131 HydrophobicContact CZ3-CD1 3.11Å; W127-L131 HydrophobicContact CZ3-CG 4.24Å; W127-L131 PolarHBondContact O-N 3.46Å; E128-L131 PolarHBondContact O-N 3.48Å; T129-L131 PolarHBondContact O-N 3.49Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-D134 PolarHBondContact O-N 3.04Å; L131-S135 VanDerWaalsContact O-CB 3.27Å; L131-S135 WeakPolarHBondContact O-CB 3.34Å; L131-S135 PolarHBondContact O-N 2.81Å; L131-S135 PolarHBondContact O-OG 2.92Å
132	S	87.1	Confident	74.8	Confident	82 Å²	82	80.2 Å²	80.2	57%	0.573	47%	0.472	S	S	*	.	H	α-helix	trans	-64.3	-39.8	177.1	-62.6	0	0	0	0	111.3	E128 T129 L130 G136	E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.23Å; E128-S132 PolarHBondContact O-OG 3.41Å; T129-S132 PolarHBondContact O-N 3.32Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 2.91Å; S132-G136 PolarHBondContact O-N 3.1Å
133	L	85.3	Confident	72.8	Confident	116 Å²	116	87.1 Å²	87.1	61%	0.607	50%	0.501	S	S	*	.	H	α-helix	trans	-65.5	-45.9	176	-69.3	169.9	0	0	0	112	T129 L130 L131 G136 S137	T129-L133 HydrophobicContact CG2-CD1 4.37Å; T129-L133 WeakPolarHBondContact O-CG 3.39Å; T129-L133 PolarHBondContact O-N 3.07Å; T129-L133 VanDerWaalsContact O-N 3.09Å; L130-L133 PolarHBondContact O-N 3.2Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L133-G136 PolarHBondContact O-N 3.24Å; L133-S137 PolarHBondContact O-N 3.47Å
134	D	83.2	Confident	71	Confident	88 Å²	88	95 Å²	95	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-63.5	-43.6	177.7	-75.4	-13.2	0	0	0	111.4	L130 L131 G136 S137 L138	L130-D134 PolarHBondContact O-N 2.98Å; L131-D134 PolarHBondContact O-N 3.04Å; D134-G136 VanDerWaalsContact C-N 3.35Å; D134-G136 PolarHBondContact O-N 3.02Å; D134-S137 WeakPolarHBondContact O-CB 3.46Å; D134-S137 PolarHBondContact O-N 3.32Å; D134-L138 WeakPolarHBondContact O-CG 3.43Å; D134-L138 PolarHBondContact O-N 2.77Å
135	S	80.1	Confident	69.1	Low	59 Å²	59	100.3 Å²	100.3	41%	0.413	56%	0.563	S	S	.	*	H	α-helix	trans	-64.5	-39.2	177.2	-58.5	0	0	0	0	111.8	L131 S137 L138 H139	L131-S135 VanDerWaalsContact O-CB 3.27Å; L131-S135 WeakPolarHBondContact O-CB 3.34Å; L131-S135 PolarHBondContact O-N 2.81Å; L131-S135 PolarHBondContact O-OG 2.92Å; S135-S137 VanDerWaalsContact C-N 3.33Å; S135-S137 PolarHBondContact O-N 3.42Å; S135-L138 PolarHBondContact O-N 3.32Å; S135-H139 PolarHBondContact O-N 3.5Å; S135-H139 PolarHBondContact O-ND1 3.37Å
136	G	74.7	Confident	67	Low	46 Å²	46	98.7 Å²	98.7	47%	0.474	57%	0.571	S	S	.	*	H	α-helix	trans	-64.4	-35.7	175	0	0	0	0	0	113	S132 L133 D134 L138 H139	S132-G136 PolarHBondContact O-N 3.1Å; L133-G136 PolarHBondContact O-N 3.24Å; D134-G136 VanDerWaalsContact C-N 3.35Å; D134-G136 PolarHBondContact O-N 3.02Å; G136-L138 VanDerWaalsContact C-N 3.35Å; G136-H139 PolarHBondContact O-N 3.38Å
137	S	64.2	Low	64.4	Low	81 Å²	81	103.1 Å²	103.1	57%	0.566	60%	0.601	S	S	*	*	H	α-helix	trans	-64.7	-37.9	174.8	-172	0	0	0	0	112.4	L133 D134 S135 H139 G140	L133-S137 PolarHBondContact O-N 3.47Å; D134-S137 WeakPolarHBondContact O-CB 3.46Å; D134-S137 PolarHBondContact O-N 3.32Å; S135-S137 VanDerWaalsContact C-N 3.33Å; S135-S137 PolarHBondContact O-N 3.42Å; S137-H139 VanDerWaalsContact C-N 3.29Å; S137-H139 PolarHBondContact O-N 3.17Å; S137-G140 PolarHBondContact O-N 3.35Å
138	L	58.5	Low	62.7	Low	134 Å²	134	104.8 Å²	104.8	70%	0.702	62%	0.622	S	S	*	*	H	α-helix	trans	-66.5	-28.2	177.9	-67.2	171.6	0	0	0	113.3	D134 S135 G136 G140	D134-L138 WeakPolarHBondContact O-CG 3.43Å; D134-L138 PolarHBondContact O-N 2.77Å; S135-L138 PolarHBondContact O-N 3.32Å; G136-L138 VanDerWaalsContact C-N 3.35Å; L138-G140 VanDerWaalsContact C-N 3.32Å
139	H	54.4	Low	60.9	Low	170 Å²	170	115.8 Å²	115.8	79%	0.787	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-6.5	176.8	-68.3	80	0	0	0	113.6	S135 G136 S137	S135-H139 PolarHBondContact O-N 3.5Å; S135-H139 PolarHBondContact O-ND1 3.37Å; G136-H139 PolarHBondContact O-N 3.38Å; S137-H139 VanDerWaalsContact C-N 3.29Å; S137-H139 PolarHBondContact O-N 3.17Å
140	G	46.3	Very low	59.7	Low	63 Å²	63	118.5 Å²	118.5	65%	0.649	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	5.5	178.9	0	0	0	0	0	115.2	S137 L138	S137-G140 PolarHBondContact O-N 3.35Å; L138-G140 VanDerWaalsContact C-N 3.32Å
141	S	42.7	Very low	58.2	Low	85 Å²	85	122.6 Å²	122.6	59%	0.594	70%	0.699	S	S	*	*			trans	-87.1	124.9	178.8	-67.5	0	0	0	0	110.9
142	P	46.2	Very low	56.6	Low	121 Å²	121	125.4 Å²	125.4	79%	0.786	72%	0.716	S	S	*	*			trans	-63.6	147.8	172	23.5	-24.5	0	0	0	109.8	L144	P142-L144 PolarHBondContact O-N 3.4Å
143	E	42	Very low	54.8	Low	194 Å²	194	128 Å²	128	91%	0.907	73%	0.725	S	S	*	*			trans	-28.7	125	178.9	-81.2	166.1	130.3	0	0	114	E145	E143-E145 PolarHBondContact O-N 3.4Å
144	L	46.7	Very low	52.9	Low	177 Å²	177	128.8 Å²	128.8	93%	0.927	73%	0.732	S	S	*	*			trans	-56.2	103.4	165.7	-68.8	161.5	0	0	0	108.5	P142 A146	P142-L144 PolarHBondContact O-N 3.4Å; L144-A146 PolarHBondContact O-N 3.26Å
145	E	40.8	Very low	50.9	Low	193 Å²	193	131.5 Å²	131.5	90%	0.902	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-55.2	128	163.8	-85.2	-140.9	142.4	0	0	109	E143 C147	E143-E145 PolarHBondContact O-N 3.4Å; E145-C147 PolarHBondContact O-N 2.97Å
146	A	44	Very low	48.8	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-55.2	128.8	-177.4	0	0	0	0	0	111.6	L144 P148	L144-A146 PolarHBondContact O-N 3.26Å; A146-P148 WeakPolarHBondContact O-CD 3.41Å
147	C	31.9	Very low	46.8	Very low	121 Å²	121	143.6 Å²	143.6	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59.5	119.7	163.5	-170.8	0	0	0	0	108.6	E145	E145-C147 PolarHBondContact O-N 2.97Å
148	P	45.4	Very low	45.4	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.7	134.3	176.5	7.7	1.9	0	0	0	109.5	A146	A146-P148 WeakPolarHBondContact O-CD 3.41Å
149	R	45.6	Very low	44.2	Very low	319 Å²	319	150.2 Å²	150.2	100%	1.204	83%	0.826	S	S	*	*			trans	-64	0	174.3	-71.2	-173.2	-172.5	-172.8	2.9	112.5

Retrieved 149 of 149 residues in 27.6 ms (Link to these results)

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