A0A096LP92_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 A0A096LP92, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 273 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	42.3	Very low	59.1	Low	179 Å²	179	92.6 Å²	92.6	88%	0.882	61%	0.606	S	S	*	*				0	140.5	0	-74.5	-178.1	-167.9	0	0	106.9	A3 E81	M1-A3 PolarHBondContact O-N 3.49Å; M1-E81 PolarHBondContact N-OE1 2.9Å
2	A	34.8	Very low	62.1	Low	95 Å²	95	91.3 Å²	91.3	79%	0.785	60%	0.6	S	S	*	*			trans	-64.7	100.9	-169	0	0	0	0	0	112.3
3	A	39.1	Very low	64.5	Low	50 Å²	50	98.6 Å²	98.6	41%	0.413	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	125.2	164.8	0	0	0	0	0	109.2	M1 A78	M1-A3 PolarHBondContact O-N 3.49Å; A3-A78 HydrophobicContact CB-CB 3.42Å; A3-A78 VanDerWaalsContact CB-CB 3.42Å
4	G	39.8	Very low	66.6	Low	79 Å²	79	98.8 Å²	98.8	81%	0.814	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.4	3.6	171.1	0	0	0	0	0	116.8
5	G	43.5	Very low	68.6	Low	44 Å²	44	95.2 Å²	95.2	45%	0.454	58%	0.575	S	S	.	*	S	Bend	trans	-79.3	136.4	168.8	0	0	0	0	0	110.7	H7	G5-H7 PolarHBondContact O-CD2 3.48Å; G5-H7 PolarHBondContact O-N 2.97Å
6	D	47.8	Very low	70.4	Confident	117 Å²	117	92.8 Å²	92.8	63%	0.626	56%	0.562	S	S	*	*			trans	-63.1	87.3	168.6	-176.6	-0.1	0	0	0	109.2	G8 S9	D6-G8 PolarHBondContact O-N 2.77Å; D6-G8 PolarHBondContact OD1-N 2.76Å; D6-G8 VanDerWaalsContact OD1-N 3.14Å; D6-S9 PolarHBondContact O-N 3.25Å; D6-S9 VanDerWaalsContact O-N 3.07Å; D6-S9 PolarHBondContact OD1-N 3.33Å; D6-S9 WeakPolarHBondContact OD2-CB 3.38Å
7	H	58	Low	71.9	Confident	141 Å²	141	94.1 Å²	94.1	65%	0.653	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-4.9	-178.5	-65.8	-63	0	0	0	112.7	G5 R14	G5-H7 PolarHBondContact O-CD2 3.48Å; G5-H7 PolarHBondContact O-N 2.97Å; H7-R14 WeakPolarHBondContact O-CD 3.36Å
8	G	71	Confident	73.1	Confident	43 Å²	43	92.5 Å²	92.5	44%	0.443	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.9	-19.1	174	0	0	0	0	0	114.7	D6 R14	D6-G8 PolarHBondContact O-N 2.77Å; D6-G8 PolarHBondContact OD1-N 2.76Å; D6-G8 VanDerWaalsContact OD1-N 3.14Å; G8-R14 PolarHBondContact O-NH1 3.35Å
9	S	87.9	Confident	74.2	Confident	18 Å²	18	91.2 Å²	91.2	13%	0.126	56%	0.559	C	S	.	*			trans	-63.9	136.6	-173.1	177.2	0	0	0	0	112.9	D6 D11 R14	D6-S9 PolarHBondContact O-N 3.25Å; D6-S9 VanDerWaalsContact O-N 3.07Å; D6-S9 PolarHBondContact OD1-N 3.33Å; D6-S9 WeakPolarHBondContact OD2-CB 3.38Å; S9-D11 PolarHBondContact O-N 2.97Å; S9-D11 WeakPolarHBondContact OG-CB 3.22Å; S9-D11 PolarHBondContact OG-N 2.84Å; S9-R14 VanDerWaalsContact O-CD 3.22Å; S9-R14 WeakPolarHBondContact O-CD 3.48Å; S9-R14 PolarHBondContact O-NE 2.82Å; S9-R14 VanDerWaalsContact O-NE 3.13Å
10	P	90.8	Very high	75.3	Confident	100 Å²	100	96.1 Å²	96.1	65%	0.649	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-14.7	170.9	31.7	-35.9	0	0	0	113.5	S12	P10-S12 VanDerWaalsContact C-N 3.28Å; P10-S12 PolarHBondContact O-N 3.43Å
11	D	94.8	Very high	76.4	Confident	153 Å²	153	99 Å²	99	82%	0.818	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-7.9	-176.3	-57.3	-26.7	0	0	0	113.1	S9	S9-D11 PolarHBondContact O-N 2.97Å; S9-D11 WeakPolarHBondContact OG-CB 3.22Å; S9-D11 PolarHBondContact OG-N 2.84Å
12	S	95.1	Very high	79	Confident	77 Å²	77	92.5 Å²	92.5	54%	0.538	54%	0.543	S	S	.	.	S	Bend	trans	-120.2	155.2	176.3	-172.4	0	0	0	0	111	P10 R14	P10-S12 VanDerWaalsContact C-N 3.28Å; P10-S12 PolarHBondContact O-N 3.43Å; S12-R14 PolarHBondContact O-N 2.75Å
13	Y	94.3	Very high	82	Confident	186 Å²	186	89.4 Å²	89.4	73%	0.729	52%	0.516	S	S	*	.			trans	-59	131.7	173	166.4	-99.8	0	0	0	110.4
14	R	93.8	Very high	84.8	Confident	101 Å²	101	91.7 Å²	91.7	38%	0.381	53%	0.527	S	S	.	.			trans	-126.4	133.9	173.9	-65.9	178.2	-65.9	161.7	6.9	109.1	H7 G8 S9 S12 P16	H7-R14 WeakPolarHBondContact O-CD 3.36Å; G8-R14 PolarHBondContact O-NH1 3.35Å; S9-R14 VanDerWaalsContact O-CD 3.22Å; S9-R14 WeakPolarHBondContact O-CD 3.48Å; S9-R14 PolarHBondContact O-NE 2.82Å; S9-R14 VanDerWaalsContact O-NE 3.13Å; S12-R14 PolarHBondContact O-N 2.75Å; R14-P16 WeakPolarHBondContact O-CD 3.3Å
15	S	96	Very high	87.6	Confident	45 Å²	45	92.8 Å²	92.8	32%	0.315	51%	0.511	S	S	.	.			trans	-59.3	123.1	174.8	178.1	0	0	0	0	109.8	L17 A18 S19	S15-L17 PolarHBondContact O-N 2.98Å; S15-L17 PolarHBondContact OG-N 3.13Å; S15-A18 PolarHBondContact O-N 2.87Å; S15-S19 PolarHBondContact O-N 3.22Å; S15-S19 PolarHBondContact O-OG 2.98Å
16	P	97	Very high	90.2	Very high	56 Å²	56	92.1 Å²	92.1	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-20.2	178.8	28.1	-35.4	0	0	0	112.1	R14 A18 R20 Y21	R14-P16 WeakPolarHBondContact O-CD 3.3Å; P16-A18 VanDerWaalsContact C-N 3.31Å; P16-A18 PolarHBondContact O-N 3.08Å; P16-R20 WeakPolarHBondContact O-CB 3.28Å; P16-R20 PolarHBondContact O-N 3.16Å; P16-Y21 HydrophobicContact CB-CD2 4.14Å; P16-Y21 HydrophobicContact CB-CE2 3.83Å; P16-Y21 HydrophobicContact CG-CE2 4.47Å; P16-Y21 VanDerWaalsContact O-CD2 3.26Å; P16-Y21 WeakPolarHBondContact O-CD2 3.46Å; P16-Y21 PolarHBondContact O-N 3.02Å; P16-Y21 VanDerWaalsContact O-N 3.11Å
17	L	96.8	Very high	92.6	Very high	115 Å²	115	88.5 Å²	88.5	60%	0.602	48%	0.479	S	S	*	.	I	π-helix	trans	-58.2	-46.5	169.5	-62.9	176.6	0	0	0	110.5	S15 A22	S15-L17 PolarHBondContact O-N 2.98Å; S15-L17 PolarHBondContact OG-N 3.13Å; L17-A22 WeakPolarHBondContact O-CB 3.33Å; L17-A22 PolarHBondContact O-N 3.22Å
18	A	93.8	Very high	94.5	Very high	66 Å²	66	86.5 Å²	86.5	55%	0.545	47%	0.469	S	S	.	.	I	π-helix	trans	-79.2	-40.6	-178.3	0	0	0	0	0	113	S15 P16	S15-A18 PolarHBondContact O-N 2.87Å; P16-A18 VanDerWaalsContact C-N 3.31Å; P16-A18 PolarHBondContact O-N 3.08Å
19	S	93.9	Very high	95.8	Very high	68 Å²	68	85 Å²	85	48%	0.476	45%	0.451	S	S	.	.	I	π-helix	trans	-86.9	-14.3	-171.9	63.1	0	0	0	0	114.8	S15	S15-S19 PolarHBondContact O-N 3.22Å; S15-S19 PolarHBondContact O-OG 2.98Å
20	R	95.7	Very high	96.4	Very high	189 Å²	189	90 Å²	90	71%	0.713	47%	0.471	S	S	*	.	I	π-helix	trans	-138.9	-40.8	-171.4	-172.5	177.7	174.7	85.5	0.3	115.3	P16	P16-R20 WeakPolarHBondContact O-CB 3.28Å; P16-R20 PolarHBondContact O-N 3.16Å
21	Y	97.3	Very high	96.7	Very high	158 Å²	158	86.7 Å²	86.7	62%	0.62	45%	0.45	S	S	*	.	I	π-helix	trans	-105.7	-48.8	-163.8	-60.4	-53.1	0	0	0	115.4	P16	P16-Y21 HydrophobicContact CB-CD2 4.14Å; P16-Y21 HydrophobicContact CB-CE2 3.83Å; P16-Y21 HydrophobicContact CG-CE2 4.47Å; P16-Y21 VanDerWaalsContact O-CD2 3.26Å; P16-Y21 WeakPolarHBondContact O-CD2 3.46Å; P16-Y21 PolarHBondContact O-N 3.02Å; P16-Y21 VanDerWaalsContact O-N 3.11Å
22	A	97.5	Very high	96.9	Very high	42 Å²	42	83 Å²	83	35%	0.347	43%	0.43	S	S	.	.	S	Bend	trans	-76.9	151.5	-173.5	0	0	0	0	0	111.3	L17	L17-A22 WeakPolarHBondContact O-CB 3.33Å; L17-A22 PolarHBondContact O-N 3.22Å
23	S	98	Very high	97	Very high	29 Å²	29	84.1 Å²	84.1	20%	0.203	42%	0.423	C	S	.	.			trans	-73.5	151.1	177.2	78.9	0	0	0	0	111.2	E25 M26 C27 K134	S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.47Å; S23-E25 VanDerWaalsContact O-N 3.13Å; S23-E25 PolarHBondContact OG-OE2 3.2Å; S23-M26 PolarHBondContact O-N 3.16Å; S23-C27 PolarHBondContact O-N 2.91Å; S23-C27 PolarHBondContact O-SG 3.22Å; S23-K134 PolarHBondContact OG-NZ 3.23Å
24	P	97.9	Very high	97.2	Very high	99 Å²	99	76.6 Å²	76.6	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-54.3	-34.8	-178.9	-27.4	35.9	0	0	0	113.8	C27 F28	P24-C27 PolarHBondContact O-N 3.47Å; P24-F28 WeakPolarHBondContact O-CB 3.49Å; P24-F28 PolarHBondContact O-N 3.05Å
25	E	98.3	Very high	97.5	Very high	102 Å²	102	73.9 Å²	73.9	48%	0.477	38%	0.384	S	S	.	.	H	α-helix	trans	-67.2	-40.5	179.9	-48.9	75.4	-161.4	0	0	111.6	S23 F28 V29 L130	S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.47Å; S23-E25 VanDerWaalsContact O-N 3.13Å; S23-E25 PolarHBondContact OG-OE2 3.2Å; E25-F28 PolarHBondContact O-N 3.01Å; E25-V29 WeakPolarHBondContact O-CG2 3.43Å; E25-V29 PolarHBondContact O-N 2.79Å; E25-V29 VanDerWaalsContact O-N 3.08Å; E25-L130 HydrophobicContact CB-CD1 4.16Å; E25-L130 HydrophobicContact CB-CD2 4.33Å
26	M	98.6	Very high	97.6	Very high	29 Å²	29	72.5 Å²	72.5	14%	0.143	37%	0.373	C	S	.	.	H	α-helix	trans	-69.2	-43	176.2	-171.9	63.1	74.5	0	0	110.4	S23 F28 V29 F30 A127 L130 L131	S23-M26 PolarHBondContact O-N 3.16Å; M26-F28 VanDerWaalsContact C-N 3.27Å; M26-F28 PolarHBondContact O-N 2.84Å; M26-V29 PolarHBondContact O-N 3.31Å; M26-F30 HydrophobicContact CG-CD2 4.38Å; M26-F30 HydrophobicContact CG-CE2 4.45Å; M26-F30 WeakPolarHBondContact O-CD2 3.47Å; M26-F30 PolarHBondContact O-N 2.96Å; M26-F30 HydrophobicContact SD-CD2 4.05Å; M26-F30 HydrophobicContact SD-CE2 3.66Å; M26-A127 HydrophobicContact CE-CB 4.28Å; M26-A127 HydrophobicContact SD-CB 3.85Å; M26-L130 HydrophobicContact CB-CD1 4.49Å; M26-L130 HydrophobicContact CE-CB 3.77Å; M26-L130 HydrophobicContact CE-CD1 4.09Å; M26-L130 HydrophobicContact SD-CD1 4.23Å; M26-L131 HydrophobicContact CE-CD2 3.89Å; M26-L131 HydrophobicContact CE-CG 3.91Å
27	C	98.2	Very high	97.7	Very high	41 Å²	41	73.4 Å²	73.4	28%	0.277	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-40.8	174.3	-66.8	0	0	0	0	111.8	S23 P24 F30 S31	S23-C27 PolarHBondContact O-N 2.91Å; S23-C27 PolarHBondContact O-SG 3.22Å; P24-C27 PolarHBondContact O-N 3.47Å; C27-F30 CarbonylContact O-C 3.57Å; C27-F30 PolarHBondContact O-N 3.48Å; C27-S31 PolarHBondContact O-N 3.19Å; C27-S31 VanDerWaalsContact O-N 3.16Å
28	F	98.5	Very high	97.8	Very high	99 Å²	99	68.1 Å²	68.1	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-43.2	178.4	179.6	-108.4	0	0	0	112.4	P24 E25 M26 F30 S31 R33 Y34	P24-F28 WeakPolarHBondContact O-CB 3.49Å; P24-F28 PolarHBondContact O-N 3.05Å; E25-F28 PolarHBondContact O-N 3.01Å; M26-F28 VanDerWaalsContact C-N 3.27Å; M26-F28 PolarHBondContact O-N 2.84Å; F28-F30 PolarHBondContact O-N 3.22Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.28Å; F28-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-OG 3.47Å; F28-R33 HydrophobicContact CE2-CG 4.39Å; F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CE2 4.21Å; F28-Y34 HydrophobicContact CE1-CG 4.41Å; F28-Y34 AromaticContact CZ-CD2 3.99Å; F28-Y34 HydrophobicContact CZ-CD2 3.99Å; F28-Y34 WeakPolarHBondContact O-CB 3.48Å
29	V	98.6	Very high	98	Very high	13 Å²	13	65.1 Å²	65.1	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-33.9	177	165.4	0	0	0	0	112	E25 M26 Y34 I123 N126 A127 L130	E25-V29 WeakPolarHBondContact O-CG2 3.43Å; E25-V29 PolarHBondContact O-N 2.79Å; E25-V29 VanDerWaalsContact O-N 3.08Å; M26-V29 PolarHBondContact O-N 3.31Å; V29-Y34 WeakPolarHBondContact O-CD1 3.3Å; V29-I123 HydrophobicContact CG1-CB 4.44Å; V29-I123 HydrophobicContact CG1-CG2 3.95Å; V29-N126 HydrophobicContact CG1-CB 4.39Å; V29-A127 HydrophobicContact CG1-CB 4.43Å; V29-L130 HydrophobicContact CG2-CD1 3.87Å
30	F	98.6	Very high	98.3	Very high	122 Å²	122	61.9 Å²	61.9	54%	0.535	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	11.8	176.3	-72	-81.9	0	0	0	114.2	M26 C27 F28 I123 A127	M26-F30 HydrophobicContact CG-CD2 4.38Å; M26-F30 HydrophobicContact CG-CE2 4.45Å; M26-F30 WeakPolarHBondContact O-CD2 3.47Å; M26-F30 PolarHBondContact O-N 2.96Å; M26-F30 HydrophobicContact SD-CD2 4.05Å; M26-F30 HydrophobicContact SD-CE2 3.66Å; C27-F30 CarbonylContact O-C 3.57Å; C27-F30 PolarHBondContact O-N 3.48Å; F28-F30 PolarHBondContact O-N 3.22Å; F30-I123 HydrophobicContact CD1-CG2 3.63Å; F30-I123 HydrophobicContact CE1-CG2 3.32Å; F30-I123 HydrophobicContact CE2-CG2 4.36Å; F30-I123 HydrophobicContact CG-CG2 4.28Å; F30-I123 HydrophobicContact CZ-CG2 3.73Å; F30-A127 HydrophobicContact CE2-CB 3.79Å; F30-A127 HydrophobicContact CZ-CB 3.96Å
31	S	98.4	Very high	98.4	Very high	31 Å²	31	54.6 Å²	54.6	22%	0.217	27%	0.267	C	S	.	.	S	Bend	trans	-81.3	152.9	179.7	72.2	0	0	0	0	112.6	C27 F28 R33 Y34 K35	C27-S31 PolarHBondContact O-N 3.19Å; C27-S31 VanDerWaalsContact O-N 3.16Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.28Å; F28-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-OG 3.47Å; S31-R33 PolarHBondContact O-N 3Å; S31-Y34 PolarHBondContact O-N 3.48Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 WeakPolarHBondContact OG-CB 3.28Å; S31-Y34 PolarHBondContact OG-N 2.9Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; S31-K35 PolarHBondContact O-N 2.89Å
32	D	98.2	Very high	98.5	Very high	75 Å²	75	47.1 Å²	47.1	40%	0.401	24%	0.238	S	C	.	.	H	α-helix	trans	-59.2	-36.4	172.8	-75	-35.1	0	0	0	112.2	Y34 K35 F36 F74	D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 3.34Å; D32-K35 PolarHBondContact O-N 3.03Å; D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.77Å; D32-F36 WeakPolarHBondContact O-CD2 3.42Å; D32-F36 PolarHBondContact O-N 3.13Å; D32-F74 HydrophobicContact CB-CE1 4.09Å
33	R	98.3	Very high	98.6	Very high	100 Å²	100	45.2 Å²	45.2	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-48.4	173.6	175.7	163.8	-74.9	-80.1	0.4	111.3	F28 S31 R37 E70 F74	F28-R33 HydrophobicContact CE2-CG 4.39Å; S31-R33 PolarHBondContact O-N 3Å; R33-R37 WeakPolarHBondContact O-CB 3.33Å; R33-R37 WeakPolarHBondContact O-CG 3.39Å; R33-R37 PolarHBondContact O-N 3.28Å; R33-R37 VanDerWaalsContact O-N 3.08Å; R33-E70 PolarHBondContact NH1-O 2.69Å; R33-E70 VanDerWaalsContact NH1-O 3.15Å; R33-E70 IonicContact NH1-OE2 3.47Å; R33-F74 HydrophobicContact CB-CZ 4.2Å
34	Y	98.7	Very high	98.6	Very high	28 Å²	28	44 Å²	44	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-40	178.3	-169.4	-94.7	0	0	0	112.6	F28 V29 S31 D32 R37 T38 I123 N126	F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CD2 3.51Å; F28-Y34 HydrophobicContact CE1-CE2 4.21Å; F28-Y34 HydrophobicContact CE1-CG 4.41Å; F28-Y34 AromaticContact CZ-CD2 3.99Å; F28-Y34 HydrophobicContact CZ-CD2 3.99Å; F28-Y34 WeakPolarHBondContact O-CB 3.48Å; V29-Y34 WeakPolarHBondContact O-CD1 3.3Å; S31-Y34 PolarHBondContact O-N 3.48Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 WeakPolarHBondContact OG-CB 3.28Å; S31-Y34 PolarHBondContact OG-N 2.9Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 3.34Å; Y34-R37 WeakPolarHBondContact O-CG 3.11Å; Y34-T38 VanDerWaalsContact O-CB 3.26Å; Y34-T38 WeakPolarHBondContact O-CB 3.42Å; Y34-T38 PolarHBondContact O-N 3.18Å; Y34-T38 VanDerWaalsContact O-N 3.16Å; Y34-T38 PolarHBondContact O-OG1 3.38Å; Y34-I123 HydrophobicContact CD1-CD1 4.42Å; Y34-I123 HydrophobicContact CD1-CG1 3.95Å; Y34-I123 HydrophobicContact CE1-CG1 3.92Å; Y34-N126 PolarHBondContact OH-ND2 2.99Å
35	K	98.8	Very high	98.7	Very high	45 Å²	45	41.4 Å²	41.4	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-56.6	175.6	179.4	-175.2	172.9	-173	0	111.5	S31 D32 T38 W39 T119	S31-K35 PolarHBondContact O-N 2.89Å; D32-K35 PolarHBondContact O-N 3.03Å; K35-T38 WeakPolarHBondContact O-CA 3.31Å; K35-T38 WeakPolarHBondContact O-CB 3.31Å; K35-T38 PolarHBondContact O-N 3.44Å; K35-T38 VanDerWaalsContact O-N 3.12Å; K35-W39 PolarHBondContact O-N 3.31Å; K35-T119 HydrophobicContact CG-CG2 4.13Å
36	F	98.8	Very high	98.7	Very high	16 Å²	16	36.7 Å²	36.7	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-76.7	-29.1	-170.9	-62.6	-56.9	0	0	0	113.8	D32 T38 W39 R40 I72 F74 H91	D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.77Å; D32-F36 WeakPolarHBondContact O-CD2 3.42Å; D32-F36 PolarHBondContact O-N 3.13Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-T38 PolarHBondContact O-N 2.97Å; F36-W39 AromaticContact CD1-CD2 3.92Å; F36-W39 HydrophobicContact CD1-CD2 3.92Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CG 4.47Å; F36-W39 HydrophobicContact CD1-CH2 4.43Å; F36-W39 AromaticContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CE1-CD2 4.37Å; F36-W39 AromaticContact CE1-CE3 3.97Å; F36-W39 HydrophobicContact CE1-CE3 3.97Å; F36-W39 AromaticContact CE1-CH2 3.93Å; F36-W39 HydrophobicContact CE1-CH2 3.93Å; F36-W39 HydrophobicContact CE1-CZ2 4.36Å; F36-W39 AromaticContact CE1-CZ3 3.69Å; F36-W39 HydrophobicContact CE1-CZ3 3.69Å; F36-W39 WeakPolarHBondContact O-CB 3.35Å; F36-W39 PolarHBondContact O-N 3.36Å; F36-R40 PolarHBondContact O-N 2.85Å; F36-R40 VanDerWaalsContact O-N 3.14Å; F36-I72 HydrophobicContact CB-CD1 3.98Å; F36-F74 HydrophobicContact CD2-CD1 4.36Å; F36-F74 AromaticContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CE2-CE1 4.27Å; F36-H91 AromaticContact CD1-CD2 3.8Å; F36-H91 AromaticContact CD1-CE1 3.29Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.34Å; F36-H91 AromaticContact CD1-CG 3.88Å; F36-H91 AromaticContact CD1-ND1 3.57Å; F36-H91 AromaticContact CD1-NE2 3.43Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.49Å; F36-H91 AromaticContact CD2-CE1 3.6Å; F36-H91 AromaticContact CD2-NE2 3.92Å; F36-H91 AromaticContact CE1-CD2 3.55Å; F36-H91 AromaticContact CE1-CE1 3.6Å; F36-H91 AromaticContact CE1-NE2 3.2Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.2Å; F36-H91 AromaticContact CE2-CE1 3.88Å; F36-H91 AromaticContact CE2-NE2 3.72Å; F36-H91 AromaticContact CG-CE1 3.29Å; F36-H91 WeakPolarHBondContact CG-CE1 3.44Å; F36-H91 AromaticContact CG-ND1 3.79Å; F36-H91 AromaticContact CG-NE2 3.78Å; F36-H91 AromaticContact CZ-CE1 3.88Å; F36-H91 AromaticContact CZ-NE2 3.35Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.39Å
37	R	98.7	Very high	98.7	Very high	74 Å²	74	35.3 Å²	35.3	28%	0.279	16%	0.162	S	C	.	.	H	α-helix	trans	-65.8	-33.1	167.3	67.9	89.3	76.7	179.8	2.1	111.3	R33 Y34 R40 Q41 E70 I72	R33-R37 WeakPolarHBondContact O-CB 3.33Å; R33-R37 WeakPolarHBondContact O-CG 3.39Å; R33-R37 PolarHBondContact O-N 3.28Å; R33-R37 VanDerWaalsContact O-N 3.08Å; Y34-R37 WeakPolarHBondContact O-CG 3.11Å; R37-R40 PolarHBondContact O-N 3.41Å; R37-Q41 WeakPolarHBondContact O-CB 3.37Å; R37-Q41 PolarHBondContact O-N 3.24Å; R37-E70 IonicContact CZ-OE1 2.74Å; R37-E70 IonicContact NE-OE1 2.86Å; R37-E70 PolarHBondContact NE-OE1 3.25Å; R37-E70 IonicContact NH2-OE1 2.71Å; R37-E70 PolarHBondContact NH2-OE1 3.28Å; R37-I72 HydrophobicContact CB-CD1 3.95Å
38	T	98.9	Very high	98.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-71.3	-35	175.8	-57.1	0	0	0	0	111.3	Y34 K35 F36 R40 Q41 L42 T119 I122	Y34-T38 VanDerWaalsContact O-CB 3.26Å; Y34-T38 WeakPolarHBondContact O-CB 3.42Å; Y34-T38 PolarHBondContact O-N 3.18Å; Y34-T38 VanDerWaalsContact O-N 3.16Å; Y34-T38 PolarHBondContact O-OG1 3.38Å; K35-T38 WeakPolarHBondContact O-CA 3.31Å; K35-T38 WeakPolarHBondContact O-CB 3.31Å; K35-T38 PolarHBondContact O-N 3.44Å; K35-T38 VanDerWaalsContact O-N 3.12Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-T38 PolarHBondContact O-N 2.97Å; T38-R40 PolarHBondContact O-N 3.22Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 2.84Å; T38-L42 HydrophobicContact CG2-CD1 4.31Å; T38-L42 WeakPolarHBondContact O-CG 3.47Å; T38-L42 PolarHBondContact O-N 2.89Å; T38-T119 HydrophobicContact CG2-CG2 3.86Å; T38-I122 HydrophobicContact CG2-CD1 3.78Å; T38-I122 HydrophobicContact CG2-CG2 4.36Å
39	W	98.9	Very high	98.8	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-58.3	-48.3	170.2	-73.2	18.1	0	0	0	111.5	K35 F36 Q41 L42 W43 V88 H91 V115	K35-W39 PolarHBondContact O-N 3.31Å; F36-W39 AromaticContact CD1-CD2 3.92Å; F36-W39 HydrophobicContact CD1-CD2 3.92Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CG 4.47Å; F36-W39 HydrophobicContact CD1-CH2 4.43Å; F36-W39 AromaticContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CE1-CD2 4.37Å; F36-W39 AromaticContact CE1-CE3 3.97Å; F36-W39 HydrophobicContact CE1-CE3 3.97Å; F36-W39 AromaticContact CE1-CH2 3.93Å; F36-W39 HydrophobicContact CE1-CH2 3.93Å; F36-W39 HydrophobicContact CE1-CZ2 4.36Å; F36-W39 AromaticContact CE1-CZ3 3.69Å; F36-W39 HydrophobicContact CE1-CZ3 3.69Å; F36-W39 WeakPolarHBondContact O-CB 3.35Å; F36-W39 PolarHBondContact O-N 3.36Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.38Å; W39-L42 PolarHBondContact O-N 3.42Å; W39-W43 HydrophobicContact CB-CE3 4.4Å; W39-W43 HydrophobicContact CB-CH2 4.24Å; W39-W43 HydrophobicContact CB-CZ3 4.01Å; W39-W43 HydrophobicContact CE3-CH2 4.06Å; W39-W43 PolarHBondContact O-N 3.12Å; W39-V88 HydrophobicContact CE3-CG2 4.48Å; W39-V88 HydrophobicContact CH2-CB 4.41Å; W39-V88 HydrophobicContact CH2-CG2 3.47Å; W39-V88 VanDerWaalsContact CH2-CG2 3.47Å; W39-V88 HydrophobicContact CZ2-CG2 4.14Å; W39-V88 HydrophobicContact CZ3-CB 4.2Å; W39-V88 HydrophobicContact CZ3-CG2 3.7Å; W39-H91 HydrophobicContact CE3-CB 3.99Å; W39-H91 HydrophobicContact CZ3-CB 4.11Å; W39-V115 HydrophobicContact CB-CB 4.05Å; W39-V115 HydrophobicContact CB-CG1 4.27Å; W39-V115 HydrophobicContact CD2-CB 3.94Å; W39-V115 HydrophobicContact CD2-CG2 3.7Å; W39-V115 HydrophobicContact CE3-CG2 4Å; W39-V115 HydrophobicContact CG-CB 3.69Å; W39-V115 HydrophobicContact CG-CG1 4.44Å; W39-V115 HydrophobicContact CG-CG2 4.01Å; W39-V115 HydrophobicContact CZ2-CG2 4.33Å; W39-V115 HydrophobicContact CZ3-CG2 4.48Å; W39-V115 PolarHBondContact NE1-O 2.98Å
40	R	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-39.5	175.6	-67.1	-176.9	176.2	-161.8	3.5	112.5	F36 R37 T38 W43 L44 N68 L69 N71 F95	F36-R40 PolarHBondContact O-N 2.85Å; F36-R40 VanDerWaalsContact O-N 3.14Å; R37-R40 PolarHBondContact O-N 3.41Å; T38-R40 PolarHBondContact O-N 3.22Å; R40-W43 HydrophobicContact CG-CE3 4.18Å; R40-W43 HydrophobicContact CG-CZ3 4.27Å; R40-W43 PolarHBondContact O-N 3.4Å; R40-L44 WeakPolarHBondContact O-CB 3.19Å; R40-L44 PolarHBondContact O-N 2.98Å; R40-N68 PolarHBondContact NH1-O 2.64Å; R40-L69 HydrophobicContact CB-CD2 3.73Å; R40-L69 WeakPolarHBondContact CD-O 3.41Å; R40-N71 VanDerWaalsContact NH1-C 3.29Å; R40-N71 PolarHBondContact NH1-O 3.07Å; R40-N71 PolarHBondContact NH2-O 2.92Å; R40-F95 HydrophobicContact CB-CD1 4.46Å; R40-F95 HydrophobicContact CB-CE1 3.99Å; R40-F95 HydrophobicContact CB-CE2 4.41Å; R40-F95 HydrophobicContact CB-CZ 3.95Å; R40-F95 HydrophobicContact CG-CD1 3.89Å; R40-F95 HydrophobicContact CG-CD2 4.04Å; R40-F95 HydrophobicContact CG-CE1 3.89Å; R40-F95 HydrophobicContact CG-CE2 4.05Å; R40-F95 HydrophobicContact CG-CG 3.97Å; R40-F95 HydrophobicContact CG-CZ 3.97Å
41	Q	98.9	Very high	98.8	Very high	36 Å²	36	26.5 Å²	26.5	17%	0.168	12%	0.119	C	C	.	.	H	α-helix	trans	-63.4	-40.5	175.7	-176.7	61.4	80.4	0	0	112.3	R37 T38 W39 L44 W45	R37-Q41 WeakPolarHBondContact O-CB 3.37Å; R37-Q41 PolarHBondContact O-N 3.24Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 2.84Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.38Å; Q41-L44 WeakPolarHBondContact O-CB 3.48Å; Q41-L44 PolarHBondContact O-N 3.36Å; Q41-W45 HydrophobicContact CG-CD2 4.08Å; Q41-W45 HydrophobicContact CG-CE3 4.32Å; Q41-W45 HydrophobicContact CG-CH2 3.67Å; Q41-W45 HydrophobicContact CG-CZ2 3.42Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.42Å; Q41-W45 HydrophobicContact CG-CZ3 4.12Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.3Å; Q41-W45 PolarHBondContact O-N 3.14Å
42	L	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-45.5	175.2	-73.4	163.5	0	0	0	110.9	T38 W39 L44 W45 L46 Y114 V115 N118 T119 I122 F195	T38-L42 HydrophobicContact CG2-CD1 4.31Å; T38-L42 WeakPolarHBondContact O-CG 3.47Å; T38-L42 PolarHBondContact O-N 2.89Å; W39-L42 PolarHBondContact O-N 3.42Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.03Å; L42-W45 HydrophobicContact CD2-CE3 3.87Å; L42-W45 HydrophobicContact CD2-CZ3 3.98Å; L42-W45 HydrophobicContact CG-CE3 4.49Å; L42-W45 PolarHBondContact O-N 3.38Å; L42-L46 WeakPolarHBondContact O-CB 2.91Å; L42-L46 PolarHBondContact O-N 3.14Å; L42-Y114 HydrophobicContact CB-CE1 3.87Å; L42-Y114 PolarHBondContact O-OH 2.64Å; L42-V115 HydrophobicContact CB-CG1 4.18Å; L42-V115 HydrophobicContact CD1-CB 4.48Å; L42-N118 HydrophobicContact CD1-CB 3.87Å; L42-N118 HydrophobicContact CD2-CB 3.97Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.23Å; L42-I122 HydrophobicContact CD2-CD1 4.27Å; L42-F195 HydrophobicContact CD2-CZ 3.82Å
43	W	98.9	Very high	98.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-38.7	173.9	-72.7	-47.5	0	0	0	112.7	W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115	W39-W43 HydrophobicContact CB-CE3 4.4Å; W39-W43 HydrophobicContact CB-CH2 4.24Å; W39-W43 HydrophobicContact CB-CZ3 4.01Å; W39-W43 HydrophobicContact CE3-CH2 4.06Å; W39-W43 PolarHBondContact O-N 3.12Å; R40-W43 HydrophobicContact CG-CE3 4.18Å; R40-W43 HydrophobicContact CG-CZ3 4.27Å; R40-W43 PolarHBondContact O-N 3.4Å; W43-L46 WeakPolarHBondContact O-CB 3.3Å; W43-L46 PolarHBondContact O-N 3.37Å; W43-A47 WeakPolarHBondContact O-CB 3.42Å; W43-A47 PolarHBondContact O-N 3.39Å; W43-M65 VanDerWaalsContact C-CE 3.47Å; W43-M65 HydrophobicContact CB-CE 3.84Å; W43-M65 WeakPolarHBondContact O-CE 3.4Å; W43-V88 HydrophobicContact CZ2-CG1 3.93Å; W43-H91 HydrophobicContact CH2-CB 3.94Å; W43-H91 HydrophobicContact CZ3-CB 4.37Å; W43-V92 HydrophobicContact CH2-CG2 3.88Å; W43-V92 HydrophobicContact CZ2-CG2 3.43Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.43Å; W43-F95 AromaticContact CE3-CD1 3.77Å; W43-F95 HydrophobicContact CE3-CD1 3.77Å; W43-F95 HydrophobicContact CE3-CE1 4.29Å; W43-F95 HydrophobicContact CZ3-CD1 4.33Å; W43-I106 HydrophobicContact CD2-CG2 3.97Å; W43-I106 HydrophobicContact CE3-CG2 4.3Å; W43-I106 HydrophobicContact CG-CG2 4.06Å; W43-H107 AromaticContact CD1-ND1 3.79Å; W43-H107 AromaticContact NE1-CE1 3.91Å; W43-H107 AromaticContact NE1-CG 3.46Å; W43-H107 AromaticContact NE1-ND1 2.97Å; W43-H107 PolarHBondContact NE1-ND1 3.49Å; W43-V115 HydrophobicContact CD2-CG1 4.01Å; W43-V115 HydrophobicContact CG-CG1 4.25Å; W43-V115 HydrophobicContact CZ2-CB 4.49Å; W43-V115 HydrophobicContact CZ2-CG1 3.86Å; W43-V115 HydrophobicContact CZ2-CG2 4Å
44	L	98.9	Very high	98.8	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-48.1	173.9	175.8	63.5	0	0	0	111.4	R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69	R40-L44 WeakPolarHBondContact O-CB 3.19Å; R40-L44 PolarHBondContact O-N 2.98Å; Q41-L44 WeakPolarHBondContact O-CB 3.48Å; Q41-L44 PolarHBondContact O-N 3.36Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.03Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 2.96Å; L44-A47 PolarHBondContact O-N 2.97Å; L44-E48 HydrophobicContact CD1-CG 4.2Å; L44-E48 HydrophobicContact CG-CG 4.45Å; L44-E48 WeakPolarHBondContact O-CB 3.33Å; L44-E48 VanDerWaalsContact O-CG 3.3Å; L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.07Å; L44-I62 HydrophobicContact CD1-CG2 3.73Å; L44-M65 HydrophobicContact CD1-CB 4.14Å; L44-K66 HydrophobicContact CD1-CB 4.16Å; L44-K66 HydrophobicContact CD2-CB 3.87Å; L44-K66 HydrophobicContact CD2-CD 4.5Å; L44-K66 HydrophobicContact CD2-CG 3.96Å; L44-L69 HydrophobicContact CB-CD2 4.22Å; L44-L69 HydrophobicContact CD2-CD1 3.9Å; L44-L69 HydrophobicContact CD2-CD2 4.14Å; L44-L69 HydrophobicContact CD2-CG 4.39Å
45	W	98.9	Very high	98.8	Very high	46 Å²	46	24.4 Å²	24.4	17%	0.174	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-34.4	177.6	-68.7	-25.3	0	0	0	113.2	Q41 L42 A49 I122 K229 A230	Q41-W45 HydrophobicContact CG-CD2 4.08Å; Q41-W45 HydrophobicContact CG-CE3 4.32Å; Q41-W45 HydrophobicContact CG-CH2 3.67Å; Q41-W45 HydrophobicContact CG-CZ2 3.42Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.42Å; Q41-W45 HydrophobicContact CG-CZ3 4.12Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.3Å; Q41-W45 PolarHBondContact O-N 3.14Å; L42-W45 HydrophobicContact CD2-CE3 3.87Å; L42-W45 HydrophobicContact CD2-CZ3 3.98Å; L42-W45 HydrophobicContact CG-CE3 4.49Å; L42-W45 PolarHBondContact O-N 3.38Å; W45-A49 WeakPolarHBondContact O-CB 3.4Å; W45-A49 PolarHBondContact O-N 3.41Å; W45-A49 VanDerWaalsContact O-N 3.09Å; W45-I122 HydrophobicContact CZ3-CD1 4.28Å; W45-K229 HydrophobicContact CB-CB 4.2Å; W45-K229 HydrophobicContact CB-CD 3.78Å; W45-K229 HydrophobicContact CD2-CB 3.85Å; W45-K229 HydrophobicContact CE3-CB 4.41Å; W45-K229 HydrophobicContact CG-CB 3.75Å; W45-K229 HydrophobicContact CG-CD 3.9Å; W45-K229 HydrophobicContact CG-CG 4.37Å; W45-K229 WeakPolarHBondContact CZ2-O 3.3Å; W45-A230 HydrophobicContact CE3-CB 4.17Å; W45-A230 HydrophobicContact CH2-CB 4.31Å; W45-A230 HydrophobicContact CZ3-CB 3.65Å
46	L	98.9	Very high	98.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-54.9	172.9	-174.5	63.9	0	0	0	110.2	L42 W43 L44 E48 A49 E50 A110 Y114 V198 F208 L222 V226	L42-L46 WeakPolarHBondContact O-CB 2.91Å; L42-L46 PolarHBondContact O-N 3.14Å; W43-L46 WeakPolarHBondContact O-CB 3.3Å; W43-L46 PolarHBondContact O-N 3.37Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 2.96Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 3.38Å; L46-A49 PolarHBondContact O-N 2.94Å; L46-A49 VanDerWaalsContact O-N 3.11Å; L46-E50 HydrophobicContact CD1-CG 4.24Å; L46-E50 HydrophobicContact CG-CG 4.33Å; L46-E50 WeakPolarHBondContact O-CB 3.49Å; L46-E50 WeakPolarHBondContact O-CG 3.43Å; L46-E50 PolarHBondContact O-N 3.22Å; L46-A110 HydrophobicContact CD2-CB 3.92Å; L46-Y114 HydrophobicContact CB-CE1 3.95Å; L46-Y114 HydrophobicContact CD2-CD1 4.24Å; L46-Y114 HydrophobicContact CD2-CE1 3.92Å; L46-Y114 HydrophobicContact CG-CE1 4.39Å; L46-V198 HydrophobicContact CD1-CG1 3.77Å; L46-F208 HydrophobicContact CD1-CE1 4.16Å; L46-F208 HydrophobicContact CD1-CZ 4.45Å; L46-L222 HydrophobicContact CD1-CD1 4.2Å; L46-L222 HydrophobicContact CD1-CD2 4.24Å; L46-V226 HydrophobicContact CD1-CG1 4.46Å
47	A	98.9	Very high	98.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-42.1	-179.1	0	0	0	0	0	112.5	W43 L44 A49 Q51 I57 I62 M65 I105	W43-A47 WeakPolarHBondContact O-CB 3.42Å; W43-A47 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 2.97Å; A47-A49 PolarHBondContact O-N 3.5Å; A47-Q51 VanDerWaalsContact O-CB 3.28Å; A47-Q51 WeakPolarHBondContact O-CB 3.4Å; A47-Q51 PolarHBondContact O-N 2.71Å; A47-I57 HydrophobicContact CB-CD1 4.34Å; A47-I57 HydrophobicContact CB-CG2 4.43Å; A47-I62 HydrophobicContact CB-CG1 4.25Å; A47-M65 HydrophobicContact CB-CE 4.12Å; A47-M65 HydrophobicContact CB-SD 4.01Å; A47-I105 HydrophobicContact CB-CD1 4.18Å
48	E	98.9	Very high	98.8	Very high	38 Å²	38	27.4 Å²	27.4	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-42	174.9	-73.6	174.2	169.7	0	0	112.4	L44 L46 T52 I62 K229	L44-E48 HydrophobicContact CD1-CG 4.2Å; L44-E48 HydrophobicContact CG-CG 4.45Å; L44-E48 WeakPolarHBondContact O-CB 3.33Å; L44-E48 VanDerWaalsContact O-CG 3.3Å; L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.07Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 3.38Å; E48-T52 PolarHBondContact O-N 3.09Å; E48-T52 VanDerWaalsContact O-N 3.16Å; E48-T52 PolarHBondContact O-OG1 2.92Å; E48-I62 HydrophobicContact CG-CD1 4.26Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; E48-K229 IonicContact OE2-NZ 2.75Å; E48-K229 PolarHBondContact OE2-NZ 3.31Å
49	A	98.9	Very high	98.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-74	-42.7	-179.6	0	0	0	0	0	111.6	W45 L46 A47 Q51 T52 L53 L222 M225 V226	W45-A49 WeakPolarHBondContact O-CB 3.4Å; W45-A49 PolarHBondContact O-N 3.41Å; W45-A49 VanDerWaalsContact O-N 3.09Å; L46-A49 PolarHBondContact O-N 2.94Å; L46-A49 VanDerWaalsContact O-N 3.11Å; A47-A49 PolarHBondContact O-N 3.5Å; A49-Q51 PolarHBondContact O-N 3.32Å; A49-T52 WeakPolarHBondContact O-CB 3.33Å; A49-T52 PolarHBondContact O-N 2.94Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.37Å; A49-L53 PolarHBondContact O-N 2.87Å; A49-L222 HydrophobicContact CB-CD1 3.55Å; A49-M225 HydrophobicContact CB-CB 3.94Å; A49-M225 HydrophobicContact CB-CE 3.97Å; A49-M225 HydrophobicContact CB-SD 4.22Å; A49-V226 HydrophobicContact CB-CG1 4.19Å
50	E	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-43.5	174.5	-76.1	-178.1	157.1	0	0	112	L46 L53 G54 L55 I57 L222	L46-E50 HydrophobicContact CD1-CG 4.24Å; L46-E50 HydrophobicContact CG-CG 4.33Å; L46-E50 WeakPolarHBondContact O-CB 3.49Å; L46-E50 WeakPolarHBondContact O-CG 3.43Å; L46-E50 PolarHBondContact O-N 3.22Å; E50-L53 CarbonylContact O-C 3.58Å; E50-L53 PolarHBondContact O-N 3.39Å; E50-G54 PolarHBondContact O-N 3.29Å; E50-L55 HydrophobicContact CB-CB 4.26Å; E50-L55 HydrophobicContact CB-CD1 3.73Å; E50-L55 HydrophobicContact CB-CG 4.47Å; E50-L55 HydrophobicContact CG-CD1 3.78Å; E50-L55 WeakPolarHBondContact O-CB 3.44Å; E50-L55 PolarHBondContact O-N 2.97Å; E50-I57 HydrophobicContact CB-CD1 3.54Å; E50-L222 HydrophobicContact CG-CD1 3.88Å; E50-L222 HydrophobicContact CG-CD2 4.28Å
51	Q	98.8	Very high	98.8	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.238	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-49.4	172.7	-179.1	-173	58.6	0	0	111.4	A47 A49 L53 G54 I57 D59 I62	A47-Q51 VanDerWaalsContact O-CB 3.28Å; A47-Q51 WeakPolarHBondContact O-CB 3.4Å; A47-Q51 PolarHBondContact O-N 2.71Å; A49-Q51 PolarHBondContact O-N 3.32Å; Q51-L53 PolarHBondContact O-N 3.39Å; Q51-G54 PolarHBondContact O-N 2.97Å; Q51-I57 HydrophobicContact CB-CB 3.97Å; Q51-I57 HydrophobicContact CB-CG2 4.24Å; Q51-I57 HydrophobicContact CG-CB 4.43Å; Q51-I57 WeakPolarHBondContact CG-O 3.34Å; Q51-I57 PolarHBondContact NE2-O 3.3Å; Q51-D59 PolarHBondContact NE2-OD1 3.1Å; Q51-D59 PolarHBondContact OE1-OD1 3.11Å; Q51-I62 HydrophobicContact CB-CD1 3.94Å; Q51-I62 HydrophobicContact CG-CD1 4.25Å
52	T	98.8	Very high	98.8	Very high	96 Å²	96	38.7 Å²	38.7	59%	0.589	22%	0.223	S	C	*	.	H	α-helix	trans	-59.8	-31.8	-179.8	-57.1	0	0	0	0	111.7	E48 A49 G54 M225	E48-T52 PolarHBondContact O-N 3.09Å; E48-T52 VanDerWaalsContact O-N 3.16Å; E48-T52 PolarHBondContact O-OG1 2.92Å; A49-T52 WeakPolarHBondContact O-CB 3.33Å; A49-T52 PolarHBondContact O-N 2.94Å; T52-G54 VanDerWaalsContact C-N 3.28Å; T52-G54 PolarHBondContact O-N 3.38Å; T52-M225 HydrophobicContact CG2-CE 3.77Å
53	L	98.7	Very high	98.8	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.4	178.7	-64.4	170.8	0	0	0	113.8	A49 E50 Q51 F212 K218 Q221 L222 M225	A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.37Å; A49-L53 PolarHBondContact O-N 2.87Å; E50-L53 CarbonylContact O-C 3.58Å; E50-L53 PolarHBondContact O-N 3.39Å; Q51-L53 PolarHBondContact O-N 3.39Å; L53-F212 HydrophobicContact CB-CE1 3.75Å; L53-F212 HydrophobicContact CB-CZ 4.03Å; L53-F212 HydrophobicContact CD1-CE1 4.43Å; L53-F212 HydrophobicContact CD1-CZ 3.89Å; L53-K218 WeakPolarHBondContact O-CE 3.36Å; L53-K218 PolarHBondContact O-NZ 3.29Å; L53-Q221 HydrophobicContact CD1-CB 4.46Å; L53-Q221 HydrophobicContact CD2-CB 3.86Å; L53-L222 HydrophobicContact CD1-CB 3.59Å; L53-L222 HydrophobicContact CD1-CD1 4Å; L53-L222 HydrophobicContact CD1-CG 4.38Å; L53-M225 HydrophobicContact CD1-SD 4.33Å; L53-M225 HydrophobicContact CD2-SD 4.29Å; L53-M225 HydrophobicContact CG-SD 4.21Å
54	G	98.3	Very high	98.7	Very high	62 Å²	62	45.2 Å²	45.2	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	13.1	170.5	0	0	0	0	0	115.3	E50 Q51 T52	E50-G54 PolarHBondContact O-N 3.29Å; Q51-G54 PolarHBondContact O-N 2.97Å; T52-G54 VanDerWaalsContact C-N 3.28Å; T52-G54 PolarHBondContact O-N 3.38Å
55	L	98.6	Very high	98.7	Very high	22 Å²	22	45 Å²	45	12%	0.115	25%	0.252	C	S	.	.			trans	-71	149.9	169.3	-71.6	176.6	0	0	0	110.6	E50 I57 L108 L211 F212	E50-L55 HydrophobicContact CB-CB 4.26Å; E50-L55 HydrophobicContact CB-CD1 3.73Å; E50-L55 HydrophobicContact CB-CG 4.47Å; E50-L55 HydrophobicContact CG-CD1 3.78Å; E50-L55 WeakPolarHBondContact O-CB 3.44Å; E50-L55 PolarHBondContact O-N 2.97Å; L55-I57 HydrophobicContact CB-CD1 4.47Å; L55-I57 HydrophobicContact CB-CG1 4.48Å; L55-I57 PolarHBondContact O-N 3.19Å; L55-L108 HydrophobicContact CD1-CD2 4.4Å; L55-L211 HydrophobicContact CD1-CB 4.49Å; L55-F212 HydrophobicContact CD1-CE1 3.75Å; L55-F212 HydrophobicContact CD1-CZ 3.89Å; L55-F212 HydrophobicContact CD2-CD1 4.41Å; L55-F212 HydrophobicContact CD2-CE1 4.28Å; L55-F212 HydrophobicContact CG-CD1 4.31Å; L55-F212 HydrophobicContact CG-CE1 3.7Å; L55-F212 HydrophobicContact CG-CZ 4.33Å
56	P	98.3	Very high	98.7	Very high	117 Å²	117	48.2 Å²	48.2	76%	0.76	27%	0.267	S	S	*	.	S	Bend	trans	-75.4	69.6	-173.3	32.3	-37.5	0	0	0	112.1
57	I	98.8	Very high	98.7	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.056	29%	0.293	C	S	.	.			trans	-117.1	128.7	178.7	-59.9	177	0	0	0	108	A47 E50 Q51 L55 I62 I105	A47-I57 HydrophobicContact CB-CD1 4.34Å; A47-I57 HydrophobicContact CB-CG2 4.43Å; E50-I57 HydrophobicContact CB-CD1 3.54Å; Q51-I57 HydrophobicContact CB-CB 3.97Å; Q51-I57 HydrophobicContact CB-CG2 4.24Å; Q51-I57 HydrophobicContact CG-CB 4.43Å; Q51-I57 WeakPolarHBondContact CG-O 3.34Å; Q51-I57 PolarHBondContact NE2-O 3.3Å; L55-I57 HydrophobicContact CB-CD1 4.47Å; L55-I57 HydrophobicContact CB-CG1 4.48Å; L55-I57 PolarHBondContact O-N 3.19Å; I57-I62 HydrophobicContact CG2-CD1 3.95Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; I57-I105 HydrophobicContact CG1-CB 4.37Å; I57-I105 HydrophobicContact CG1-CG2 4.3Å; I57-I105 HydrophobicContact CG2-CG1 4.49Å
58	T	98.8	Very high	98.7	Very high	70 Å²	70	53.1 Å²	53.1	43%	0.429	30%	0.3	S	S	.	.			trans	-94.7	154	-177	72.7	0	0	0	0	112.2	E60 Q61 I62	T58-E60 PolarHBondContact O-N 3.47Å; T58-Q61 WeakPolarHBondContact O-CB 3.4Å; T58-Q61 PolarHBondContact O-N 2.91Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.5Å; T58-Q61 PolarHBondContact OG1-N 3.3Å; T58-I62 PolarHBondContact O-N 3.04Å
59	D	98.7	Very high	98.7	Very high	118 Å²	118	52.3 Å²	52.3	63%	0.631	30%	0.296	S	S	*	.	H	α-helix	trans	-58.5	-32.4	174.7	-67.4	-16	0	0	0	111.8	Q51 I62 Q63	Q51-D59 PolarHBondContact NE2-OD1 3.1Å; Q51-D59 PolarHBondContact OE1-OD1 3.11Å; D59-I62 PolarHBondContact O-N 3.48Å; D59-Q63 WeakPolarHBondContact O-CB 3.49Å; D59-Q63 PolarHBondContact O-N 3.31Å
60	E	98.6	Very high	98.7	Very high	120 Å²	120	56.1 Å²	56.1	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-63.5	-40.6	175.8	-65.3	-173.2	-164.5	0	0	112.2	T58 E64 K101	T58-E60 PolarHBondContact O-N 3.47Å; E60-E64 VanDerWaalsContact O-CB 3.31Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 2.99Å; E60-K101 IonicContact OE2-NZ 3.58Å; E60-K101 PolarHBondContact OE2-NZ 3.42Å
61	Q	98.8	Very high	98.6	Very high	27 Å²	27	60.5 Å²	60.5	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-46.9	176.7	-69.3	173.1	-48.6	0	0	110.8	T58 Q63 E64 M65 K101 A102 I105	T58-Q61 WeakPolarHBondContact O-CB 3.4Å; T58-Q61 PolarHBondContact O-N 2.91Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.5Å; T58-Q61 PolarHBondContact OG1-N 3.3Å; Q61-Q63 PolarHBondContact O-N 3.49Å; Q61-E64 PolarHBondContact O-N 3.44Å; Q61-M65 WeakPolarHBondContact O-CG 3.39Å; Q61-M65 PolarHBondContact O-N 2.86Å; Q61-K101 HydrophobicContact CG-CB 4.24Å; Q61-K101 WeakPolarHBondContact CG-O 3.42Å; Q61-K101 PolarHBondContact NE2-O 3.37Å; Q61-A102 HydrophobicContact CB-CB 3.95Å; Q61-A102 HydrophobicContact CG-CB 4.4Å; Q61-I105 HydrophobicContact CB-CG1 4.41Å
62	I	98.8	Very high	98.6	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-44.3	177.7	-71.3	171.4	0	0	0	110.9	L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66	L44-I62 HydrophobicContact CD1-CG2 3.73Å; A47-I62 HydrophobicContact CB-CG1 4.25Å; E48-I62 HydrophobicContact CG-CD1 4.26Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; Q51-I62 HydrophobicContact CB-CD1 3.94Å; Q51-I62 HydrophobicContact CG-CD1 4.25Å; I57-I62 HydrophobicContact CG2-CD1 3.95Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; T58-I62 PolarHBondContact O-N 3.04Å; D59-I62 PolarHBondContact O-N 3.48Å; I62-E64 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 2.65Å; I62-M65 PolarHBondContact O-N 3.39Å; I62-K66 WeakPolarHBondContact O-CB 3.48Å; I62-K66 PolarHBondContact O-N 2.92Å
63	Q	98.8	Very high	98.6	Very high	103 Å²	103	57.9 Å²	57.9	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-35.2	179.5	-173.5	56.1	53	0	0	112.1	D59 Q61 K66 S67	D59-Q63 WeakPolarHBondContact O-CB 3.49Å; D59-Q63 PolarHBondContact O-N 3.31Å; Q61-Q63 PolarHBondContact O-N 3.49Å; Q63-K66 PolarHBondContact O-N 2.91Å; Q63-S67 PolarHBondContact NE2-OG 2.67Å; Q63-S67 WeakPolarHBondContact O-CB 3.45Å; Q63-S67 PolarHBondContact O-N 3.24Å; Q63-S67 PolarHBondContact O-OG 2.95Å
64	E	98.8	Very high	98.5	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-46.5	174	-170.1	-178.9	-117.3	0	0	111.2	E60 Q61 I62 K66 S67 N68 C99 P100 K101 A102	E60-E64 VanDerWaalsContact O-CB 3.31Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 2.99Å; Q61-E64 PolarHBondContact O-N 3.44Å; I62-E64 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 2.65Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-S67 PolarHBondContact O-N 3.33Å; E64-N68 PolarHBondContact O-N 3.2Å; E64-N68 PolarHBondContact O-ND2 2.98Å; E64-C99 HydrophobicContact CG-CB 3.87Å; E64-C99 WeakPolarHBondContact OE2-CA 3.49Å; E64-C99 WeakPolarHBondContact OE2-CB 3.39Å; E64-P100 WeakPolarHBondContact OE1-CD 3.31Å; E64-K101 WeakPolarHBondContact OE2-CA 3.44Å; E64-K101 VanDerWaalsContact OE2-CB 3.31Å; E64-K101 WeakPolarHBondContact OE2-CB 3.22Å; E64-K101 PolarHBondContact OE2-N 2.78Å; E64-A102 PolarHBondContact OE2-N 2.83Å
65	M	98.8	Very high	98.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-47	174.6	-68.2	170.3	71.8	0	0	111.6	W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106	W43-M65 VanDerWaalsContact C-CE 3.47Å; W43-M65 HydrophobicContact CB-CE 3.84Å; W43-M65 WeakPolarHBondContact O-CE 3.4Å; L44-M65 HydrophobicContact CD1-CB 4.14Å; A47-M65 HydrophobicContact CB-CE 4.12Å; A47-M65 HydrophobicContact CB-SD 4.01Å; Q61-M65 WeakPolarHBondContact O-CG 3.39Å; Q61-M65 PolarHBondContact O-N 2.86Å; I62-M65 PolarHBondContact O-N 3.39Å; M65-S67 VanDerWaalsContact C-N 3.33Å; M65-S67 PolarHBondContact O-N 2.93Å; M65-N68 CarbonylContact O-C 3.48Å; M65-N68 PolarHBondContact O-N 3.1Å; M65-N68 VanDerWaalsContact O-N 3.1Å; M65-L69 PolarHBondContact O-N 3.09Å; M65-F95 HydrophobicContact CB-CE1 4.27Å; M65-F95 HydrophobicContact CB-CZ 3.83Å; M65-F95 HydrophobicContact CE-CE1 3.96Å; M65-F95 HydrophobicContact CG-CE1 4.17Å; M65-F95 HydrophobicContact CG-CZ 4.11Å; M65-A102 HydrophobicContact CG-CB 3.51Å; M65-A102 HydrophobicContact SD-CB 3.87Å; M65-I105 HydrophobicContact SD-CD1 3.64Å; M65-I106 HydrophobicContact CE-CG1 4.12Å; M65-I106 HydrophobicContact SD-CG1 4.34Å
66	K	98.8	Very high	98.5	Very high	112 Å²	112	64.9 Å²	64.9	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-39.5	-179.1	-172.9	174	-178.4	175.4	0	112.6	L44 I62 Q63 E64 N68 L69	L44-K66 HydrophobicContact CD1-CB 4.16Å; L44-K66 HydrophobicContact CD2-CB 3.87Å; L44-K66 HydrophobicContact CD2-CD 4.5Å; L44-K66 HydrophobicContact CD2-CG 3.96Å; I62-K66 WeakPolarHBondContact O-CB 3.48Å; I62-K66 PolarHBondContact O-N 2.92Å; Q63-K66 PolarHBondContact O-N 2.91Å; E64-K66 PolarHBondContact O-N 3.49Å; K66-N68 PolarHBondContact O-N 3.36Å; K66-L69 WeakPolarHBondContact O-CG 3.33Å
67	S	98.7	Very high	98.5	Very high	80 Å²	80	59.5 Å²	59.5	56%	0.559	30%	0.299	S	S	*	.	H	α-helix	trans	-67.7	-20.3	177.9	-53.5	0	0	0	0	112.8	Q63 E64 M65	Q63-S67 PolarHBondContact NE2-OG 2.67Å; Q63-S67 WeakPolarHBondContact O-CB 3.45Å; Q63-S67 PolarHBondContact O-N 3.24Å; Q63-S67 PolarHBondContact O-OG 2.95Å; E64-S67 PolarHBondContact O-N 3.33Å; M65-S67 VanDerWaalsContact C-N 3.33Å; M65-S67 PolarHBondContact O-N 2.93Å
68	N	98.8	Very high	98.3	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.139	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	15	-173.7	-74.7	-74.2	0	0	0	114.3	R40 E64 M65 K66 E70 N71 F95 C98	R40-N68 PolarHBondContact NH1-O 2.64Å; E64-N68 PolarHBondContact O-N 3.2Å; E64-N68 PolarHBondContact O-ND2 2.98Å; M65-N68 CarbonylContact O-C 3.48Å; M65-N68 PolarHBondContact O-N 3.1Å; M65-N68 VanDerWaalsContact O-N 3.1Å; K66-N68 PolarHBondContact O-N 3.36Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 2.9Å; N68-N71 HydrophobicContact CB-CB 4.29Å; N68-N71 PolarHBondContact O-N 3.3Å; N68-N71 PolarHBondContact OD1-ND2 3.34Å; N68-F95 HydrophobicContact CB-CE2 3.92Å; N68-C98 PolarHBondContact ND2-O 2.97Å
69	L	98.6	Very high	98.3	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.11	31%	0.31	C	S	.	.	S	Bend	trans	-57.5	-38.8	-179.1	-67.1	179.4	0	0	0	113.5	R40 L44 M65 K66	R40-L69 HydrophobicContact CB-CD2 3.73Å; R40-L69 WeakPolarHBondContact CD-O 3.41Å; L44-L69 HydrophobicContact CB-CD2 4.22Å; L44-L69 HydrophobicContact CD2-CD1 3.9Å; L44-L69 HydrophobicContact CD2-CD2 4.14Å; L44-L69 HydrophobicContact CD2-CG 4.39Å; M65-L69 PolarHBondContact O-N 3.09Å; K66-L69 WeakPolarHBondContact O-CG 3.33Å
70	E	98.1	Very high	98.3	Very high	80 Å²	80	57.9 Å²	57.9	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-96.1	-10.3	-177.5	-61.5	-63.8	162.3	0	0	113.5	R33 R37 N68 I72	R33-E70 PolarHBondContact NH1-O 2.69Å; R33-E70 VanDerWaalsContact NH1-O 3.15Å; R33-E70 IonicContact NH1-OE2 3.47Å; R37-E70 IonicContact CZ-OE1 2.74Å; R37-E70 IonicContact NE-OE1 2.86Å; R37-E70 PolarHBondContact NE-OE1 3.25Å; R37-E70 IonicContact NH2-OE1 2.71Å; R37-E70 PolarHBondContact NH2-OE1 3.28Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 2.9Å; E70-I72 VanDerWaalsContact C-N 3.27Å; E70-I72 PolarHBondContact O-N 3.37Å
71	N	98.3	Very high	98.2	Very high	93 Å²	93	54.6 Å²	54.6	50%	0.497	27%	0.272	S	S	.	.			trans	-81.2	65.2	-177.2	-175.9	23.2	0	0	0	111.9	R40 N68	R40-N71 VanDerWaalsContact NH1-C 3.29Å; R40-N71 PolarHBondContact NH1-O 3.07Å; R40-N71 PolarHBondContact NH2-O 2.92Å; N68-N71 HydrophobicContact CB-CB 4.29Å; N68-N71 PolarHBondContact O-N 3.3Å; N68-N71 PolarHBondContact OD1-ND2 3.34Å
72	I	98.4	Very high	98.1	Very high	13 Å²	13	62 Å²	62	7%	0.067	30%	0.303	C	S	.	.			trans	-98.3	112.3	-173.3	-55.5	165.3	0	0	0	110.2	F36 R37 E70 F74	F36-I72 HydrophobicContact CB-CD1 3.98Å; R37-I72 HydrophobicContact CB-CD1 3.95Å; E70-I72 VanDerWaalsContact C-N 3.27Å; E70-I72 PolarHBondContact O-N 3.37Å; I72-F74 HydrophobicContact CB-CD2 4.32Å; I72-F74 HydrophobicContact CB-CE2 3.83Å; I72-F74 HydrophobicContact CB-CZ 4.19Å; I72-F74 HydrophobicContact CD1-CZ 4.48Å; I72-F74 HydrophobicContact CG2-CD1 4.33Å; I72-F74 HydrophobicContact CG2-CD2 3.97Å; I72-F74 HydrophobicContact CG2-CE1 4.16Å; I72-F74 HydrophobicContact CG2-CE2 3.74Å; I72-F74 HydrophobicContact CG2-CG 4.26Å; I72-F74 HydrophobicContact CG2-CZ 3.84Å; I72-F74 VanDerWaalsContact O-CD2 3.3Å; I72-F74 WeakPolarHBondContact O-CD2 3.34Å; I72-F74 PolarHBondContact O-N 3.2Å
73	D	98.2	Very high	98.1	Very high	78 Å²	78	68.3 Å²	68.3	42%	0.417	33%	0.326	S	S	.	.			trans	-82.2	93.4	168.1	-170.7	-20.2	0	0	0	110.2	K75 M76 A77 T94	D73-K75 PolarHBondContact O-N 2.85Å; D73-K75 WeakPolarHBondContact OD1-CB 3.39Å; D73-K75 PolarHBondContact OD1-N 3.34Å; D73-M76 HydrophobicContact CB-CB 4.02Å; D73-M76 PolarHBondContact OD1-N 3.39Å; D73-A77 WeakPolarHBondContact O-CB 3.29Å; D73-A77 PolarHBondContact O-N 3.14Å; D73-T94 HydrophobicContact CB-CG2 4.25Å
74	F	97.2	Very high	97.9	Very high	58 Å²	58	66 Å²	66	25%	0.254	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-28.4	178.3	-70	-90.9	0	0	0	113.1	D32 R33 F36 I72 A78	D32-F74 HydrophobicContact CB-CE1 4.09Å; R33-F74 HydrophobicContact CB-CZ 4.2Å; F36-F74 HydrophobicContact CD2-CD1 4.36Å; F36-F74 AromaticContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CE2-CE1 4.27Å; I72-F74 HydrophobicContact CB-CD2 4.32Å; I72-F74 HydrophobicContact CB-CE2 3.83Å; I72-F74 HydrophobicContact CB-CZ 4.19Å; I72-F74 HydrophobicContact CD1-CZ 4.48Å; I72-F74 HydrophobicContact CG2-CD1 4.33Å; I72-F74 HydrophobicContact CG2-CD2 3.97Å; I72-F74 HydrophobicContact CG2-CE1 4.16Å; I72-F74 HydrophobicContact CG2-CE2 3.74Å; I72-F74 HydrophobicContact CG2-CG 4.26Å; I72-F74 HydrophobicContact CG2-CZ 3.84Å; I72-F74 VanDerWaalsContact O-CD2 3.3Å; I72-F74 WeakPolarHBondContact O-CD2 3.34Å; I72-F74 PolarHBondContact O-N 3.2Å; F74-A78 WeakPolarHBondContact O-CB 3.32Å; F74-A78 PolarHBondContact O-N 3.3Å
75	K	98	Very high	97.8	Very high	150 Å²	150	75.3 Å²	75.3	65%	0.652	35%	0.35	S	S	*	.	H	α-helix	trans	-71.3	-49	-179.6	-176.5	-173.7	172.7	-169.4	0	109.6	D73 A77 A78 E79	D73-K75 PolarHBondContact O-N 2.85Å; D73-K75 WeakPolarHBondContact OD1-CB 3.39Å; D73-K75 PolarHBondContact OD1-N 3.34Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 2.91Å; K75-A78 WeakPolarHBondContact O-CB 3.38Å; K75-A78 PolarHBondContact O-N 2.96Å; K75-E79 WeakPolarHBondContact CE-OE1 3.38Å; K75-E79 WeakPolarHBondContact O-CG 3.26Å; K75-E79 PolarHBondContact O-N 3.44Å; K75-E79 VanDerWaalsContact O-N 3.08Å
76	M	97.9	Very high	97.7	Very high	35 Å²	35	78.6 Å²	78.6	17%	0.172	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-45.3	174.4	-175.4	-173.3	-177.6	0	0	111	D73 A78 E79 E80 T94 H97	D73-M76 HydrophobicContact CB-CB 4.02Å; D73-M76 PolarHBondContact OD1-N 3.39Å; M76-A78 VanDerWaalsContact C-N 3.28Å; M76-A78 PolarHBondContact O-N 3.23Å; M76-E79 PolarHBondContact O-N 3.24Å; M76-E80 HydrophobicContact CE-CG 4.41Å; M76-E80 HydrophobicContact CG-CG 4.25Å; M76-E80 WeakPolarHBondContact O-CB 3.45Å; M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.37Å; M76-T94 HydrophobicContact CB-CG2 4.24Å; M76-T94 HydrophobicContact CG-CG2 4.32Å; M76-T94 HydrophobicContact SD-CG2 4Å; M76-H97 HydrophobicContact CE-CB 3.73Å; M76-H97 HydrophobicContact SD-CB 4.04Å
77	A	98.1	Very high	97.6	Very high	3 Å²	3	75.8 Å²	75.8	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-38.5	177.9	0	0	0	0	0	112.5	D73 K75 E80 E81 T94	D73-A77 WeakPolarHBondContact O-CB 3.29Å; D73-A77 PolarHBondContact O-N 3.14Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 2.91Å; A77-E80 PolarHBondContact O-N 3.36Å; A77-E81 WeakPolarHBondContact O-CB 3.48Å; A77-E81 PolarHBondContact O-N 2.89Å; A77-T94 WeakPolarHBondContact CA-OG1 3.32Å; A77-T94 HydrophobicContact CB-CG2 4.34Å; A77-T94 PolarHBondContact N-OG1 3.4Å
78	A	96.4	Very high	97.5	Very high	24 Å²	24	72.1 Å²	72.1	20%	0.198	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-45.3	175.6	0	0	0	0	0	112.7	A3 F74 K75 M76 E80 E81 K82	A3-A78 HydrophobicContact CB-CB 3.42Å; A3-A78 VanDerWaalsContact CB-CB 3.42Å; F74-A78 WeakPolarHBondContact O-CB 3.32Å; F74-A78 PolarHBondContact O-N 3.3Å; K75-A78 WeakPolarHBondContact O-CB 3.38Å; K75-A78 PolarHBondContact O-N 2.96Å; M76-A78 VanDerWaalsContact C-N 3.28Å; M76-A78 PolarHBondContact O-N 3.23Å; A78-E80 VanDerWaalsContact C-N 3.33Å; A78-E81 PolarHBondContact O-N 3.4Å; A78-K82 WeakPolarHBondContact O-CB 3.38Å; A78-K82 PolarHBondContact O-N 2.88Å
79	E	98	Very high	97.5	Very high	108 Å²	108	74.2 Å²	74.2	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-41.9	178.2	-69.9	171.7	-174.8	0	0	110.6	K75 M76 K82 R83	K75-E79 WeakPolarHBondContact CE-OE1 3.38Å; K75-E79 WeakPolarHBondContact O-CG 3.26Å; K75-E79 PolarHBondContact O-N 3.44Å; K75-E79 VanDerWaalsContact O-N 3.08Å; M76-E79 PolarHBondContact O-N 3.24Å; E79-K82 PolarHBondContact O-N 2.91Å; E79-R83 WeakPolarHBondContact O-CB 3.47Å; E79-R83 PolarHBondContact O-N 2.74Å
80	E	97.6	Very high	97.5	Very high	33 Å²	33	73.2 Å²	73.2	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-41.4	175.4	-71	-66.5	-178.2	0	0	112.5	M76 A77 A78 K82 R83 L84 A90	M76-E80 HydrophobicContact CE-CG 4.41Å; M76-E80 HydrophobicContact CG-CG 4.25Å; M76-E80 WeakPolarHBondContact O-CB 3.45Å; M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.37Å; A77-E80 PolarHBondContact O-N 3.36Å; A78-E80 VanDerWaalsContact C-N 3.33Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.87Å; E80-R83 PolarHBondContact O-N 3.33Å; E80-R83 IonicContact OE1-NH2 3.16Å; E80-R83 IonicContact OE2-CZ 2.78Å; E80-R83 IonicContact OE2-NE 2.71Å; E80-R83 PolarHBondContact OE2-NE 3.36Å; E80-R83 IonicContact OE2-NH2 3.4Å; E80-R83 PolarHBondContact OE2-NH2 3.25Å; E80-L84 WeakPolarHBondContact O-CB 3.42Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 2.71Å; E80-A90 HydrophobicContact CB-CB 3.66Å
81	E	97.7	Very high	97.5	Very high	52 Å²	52	69.6 Å²	69.6	24%	0.243	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.5	-174.8	-176.1	158	0	0	110.3	M1 A77 A78 R83 R85 D87 A90	M1-E81 PolarHBondContact N-OE1 2.9Å; A77-E81 WeakPolarHBondContact O-CB 3.48Å; A77-E81 PolarHBondContact O-N 2.89Å; A78-E81 PolarHBondContact O-N 3.4Å; E81-R83 VanDerWaalsContact C-N 3.3Å; E81-R83 PolarHBondContact O-N 3.27Å; E81-R85 WeakPolarHBondContact O-CA 3.43Å; E81-R85 PolarHBondContact O-N 2.68Å; E81-D87 HydrophobicContact CG-CB 4.33Å; E81-A90 HydrophobicContact CB-CB 3.88Å; E81-A90 VanDerWaalsContact N-CB 3.26Å
82	K	97.4	Very high	97.5	Very high	181 Å²	181	66 Å²	66	79%	0.787	30%	0.299	S	S	*	.	H	α-helix	trans	-61.9	-38.3	175.7	-174.4	179.3	179.8	-178.7	0	112.1	A78 E79 E80	A78-K82 WeakPolarHBondContact O-CB 3.38Å; A78-K82 PolarHBondContact O-N 2.88Å; E79-K82 PolarHBondContact O-N 2.91Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.87Å
83	R	97.3	Very high	97.5	Very high	148 Å²	148	69.4 Å²	69.4	56%	0.558	32%	0.315	S	S	*	.	H	α-helix	trans	-74.1	-49	179.9	-174.2	-179.3	68.9	85.6	-4.7	112.3	E79 E80 E81	E79-R83 WeakPolarHBondContact O-CB 3.47Å; E79-R83 PolarHBondContact O-N 2.74Å; E80-R83 PolarHBondContact O-N 3.33Å; E80-R83 IonicContact OE1-NH2 3.16Å; E80-R83 IonicContact OE2-CZ 2.78Å; E80-R83 IonicContact OE2-NE 2.71Å; E80-R83 PolarHBondContact OE2-NE 3.36Å; E80-R83 IonicContact OE2-NH2 3.4Å; E80-R83 PolarHBondContact OE2-NH2 3.25Å; E81-R83 VanDerWaalsContact C-N 3.3Å; E81-R83 PolarHBondContact O-N 3.27Å
84	L	95.9	Very high	97.5	Very high	55 Å²	55	65.8 Å²	65.8	29%	0.288	30%	0.295	S	S	.	.	H	α-helix	trans	-87.5	-18.7	-172.3	-64.5	172.1	0	0	0	113.3	E80 H86 M89 H93	E80-L84 WeakPolarHBondContact O-CB 3.42Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 2.71Å; L84-H86 PolarHBondContact O-N 3.19Å; L84-M89 HydrophobicContact CD1-CB 4.17Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.31Å
85	R	96.6	Very high	97.6	Very high	231 Å²	231	63 Å²	63	87%	0.872	28%	0.283	S	S	*	.	S	Bend	trans	55.1	31.1	-172.4	-55.4	-176.5	176.5	-175.3	-1.1	112.8	E81	E81-R85 WeakPolarHBondContact O-CA 3.43Å; E81-R85 PolarHBondContact O-N 2.68Å
86	H	96.3	Very high	97.6	Very high	69 Å²	69	56.3 Å²	56.3	32%	0.319	26%	0.257	S	S	.	.			trans	-149.7	115.5	-179.2	-168	-35.1	0	0	0	109.9	L84 V88 M89 A90 S112	L84-H86 PolarHBondContact O-N 3.19Å; H86-V88 PolarHBondContact ND1-N 3.36Å; H86-M89 HydrophobicContact CB-CB 4.13Å; H86-M89 HydrophobicContact CB-CG 4.3Å; H86-M89 PolarHBondContact ND1-N 2.95Å; H86-A90 WeakPolarHBondContact O-CB 3.23Å; H86-A90 PolarHBondContact O-N 2.8Å; H86-S112 PolarHBondContact CE1-OG 3.42Å; H86-S112 PolarHBondContact NE2-OG 2.99Å
87	D	96.1	Very high	97.7	Very high	53 Å²	53	61.1 Å²	61.1	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-47.1	-174.6	63.9	-20.2	0	0	0	113.4	E81 M89 A90 H91	E81-D87 HydrophobicContact CG-CB 4.33Å; D87-M89 PolarHBondContact O-N 2.86Å; D87-A90 WeakPolarHBondContact O-CB 3.49Å; D87-A90 PolarHBondContact O-N 3Å; D87-H91 PolarHBondContact O-CD2 3.21Å; D87-H91 PolarHBondContact O-N 3.26Å
88	V	97.8	Very high	97.7	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-49	176.8	179.6	0	0	0	0	110.9	W39 W43 H86 A90 H91 V92 V115	W39-V88 HydrophobicContact CE3-CG2 4.48Å; W39-V88 HydrophobicContact CH2-CB 4.41Å; W39-V88 HydrophobicContact CH2-CG2 3.47Å; W39-V88 VanDerWaalsContact CH2-CG2 3.47Å; W39-V88 HydrophobicContact CZ2-CG2 4.14Å; W39-V88 HydrophobicContact CZ3-CB 4.2Å; W39-V88 HydrophobicContact CZ3-CG2 3.7Å; W43-V88 HydrophobicContact CZ2-CG1 3.93Å; H86-V88 PolarHBondContact ND1-N 3.36Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 3.26Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 3.33Å; V88-H91 VanDerWaalsContact O-N 3.12Å; V88-V92 HydrophobicContact CG1-CG2 4.28Å; V88-V92 WeakPolarHBondContact O-CG2 2.89Å; V88-V92 PolarHBondContact O-N 2.91Å; V88-V115 HydrophobicContact CG1-CG2 3.78Å; V88-V115 HydrophobicContact CG2-CG2 3.9Å
89	M	97.4	Very high	97.8	Very high	69 Å²	69	61.3 Å²	61.3	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-39	179.3	-67.5	-52.7	-56.1	0	0	112	L84 H86 D87 H91 V92 H93	L84-M89 HydrophobicContact CD1-CB 4.17Å; H86-M89 HydrophobicContact CB-CB 4.13Å; H86-M89 HydrophobicContact CB-CG 4.3Å; H86-M89 PolarHBondContact ND1-N 2.95Å; D87-M89 PolarHBondContact O-N 2.86Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 3.09Å; M89-V92 PolarHBondContact O-N 3.1Å; M89-H93 PolarHBondContact O-CD2 2.88Å; M89-H93 PolarHBondContact O-N 3.05Å
90	A	98.3	Very high	97.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-47.8	172.6	0	0	0	0	0	111.8	E80 E81 H86 D87 V88 V92 H93 T94	E80-A90 HydrophobicContact CB-CB 3.66Å; E81-A90 HydrophobicContact CB-CB 3.88Å; E81-A90 VanDerWaalsContact N-CB 3.26Å; H86-A90 WeakPolarHBondContact O-CB 3.23Å; H86-A90 PolarHBondContact O-N 2.8Å; D87-A90 WeakPolarHBondContact O-CB 3.49Å; D87-A90 PolarHBondContact O-N 3Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 3.26Å; A90-V92 PolarHBondContact O-N 2.95Å; A90-H93 PolarHBondContact O-N 2.76Å; A90-T94 PolarHBondContact O-N 2.86Å; A90-T94 PolarHBondContact O-OG1 3.28Å
91	H	98.6	Very high	97.8	Very high	5 Å²	5	64.6 Å²	64.6	2%	0.023	30%	0.299	C	S	.	.	H	α-helix	trans	-69.6	-29.8	177.6	-83.5	-91.8	0	0	0	114	F36 W39 W43 D87 V88 M89 F95	F36-H91 AromaticContact CD1-CD2 3.8Å; F36-H91 AromaticContact CD1-CE1 3.29Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.34Å; F36-H91 AromaticContact CD1-CG 3.88Å; F36-H91 AromaticContact CD1-ND1 3.57Å; F36-H91 AromaticContact CD1-NE2 3.43Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.49Å; F36-H91 AromaticContact CD2-CE1 3.6Å; F36-H91 AromaticContact CD2-NE2 3.92Å; F36-H91 AromaticContact CE1-CD2 3.55Å; F36-H91 AromaticContact CE1-CE1 3.6Å; F36-H91 AromaticContact CE1-NE2 3.2Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.2Å; F36-H91 AromaticContact CE2-CE1 3.88Å; F36-H91 AromaticContact CE2-NE2 3.72Å; F36-H91 AromaticContact CG-CE1 3.29Å; F36-H91 WeakPolarHBondContact CG-CE1 3.44Å; F36-H91 AromaticContact CG-ND1 3.79Å; F36-H91 AromaticContact CG-NE2 3.78Å; F36-H91 AromaticContact CZ-CE1 3.88Å; F36-H91 AromaticContact CZ-NE2 3.35Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.39Å; W39-H91 HydrophobicContact CE3-CB 3.99Å; W39-H91 HydrophobicContact CZ3-CB 4.11Å; W43-H91 HydrophobicContact CH2-CB 3.94Å; W43-H91 HydrophobicContact CZ3-CB 4.37Å; D87-H91 PolarHBondContact O-CD2 3.21Å; D87-H91 PolarHBondContact O-N 3.26Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 3.33Å; V88-H91 VanDerWaalsContact O-N 3.12Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 3.09Å; H91-F95 VanDerWaalsContact O-CB 3.23Å; H91-F95 WeakPolarHBondContact O-CB 3.08Å; H91-F95 PolarHBondContact O-N 3.23Å
92	V	98.5	Very high	97.9	Very high	17 Å²	17	62.1 Å²	62.1	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-48.4	170.2	169.9	0	0	0	0	109.8	W43 V88 M89 A90 F95 G96 I106 H107	W43-V92 HydrophobicContact CH2-CG2 3.88Å; W43-V92 HydrophobicContact CZ2-CG2 3.43Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.43Å; V88-V92 HydrophobicContact CG1-CG2 4.28Å; V88-V92 WeakPolarHBondContact O-CG2 2.89Å; V88-V92 PolarHBondContact O-N 2.91Å; M89-V92 PolarHBondContact O-N 3.1Å; A90-V92 PolarHBondContact O-N 2.95Å; V92-F95 PolarHBondContact O-N 2.92Å; V92-G96 PolarHBondContact O-N 3.24Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.29Å; V92-H107 HydrophobicContact CG2-CB 3.95Å
93	H	98.2	Very high	97.9	Very high	84 Å²	84	55.5 Å²	55.5	39%	0.389	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-46.7	177	-79.5	-75.8	0	0	0	112.3	L84 M89 A90 F95 G96 H97	L84-H93 WeakPolarHBondContact CD1-CD2 3.31Å; M89-H93 PolarHBondContact O-CD2 2.88Å; M89-H93 PolarHBondContact O-N 3.05Å; A90-H93 PolarHBondContact O-N 2.76Å; H93-F95 VanDerWaalsContact C-N 3.31Å; H93-F95 PolarHBondContact O-N 2.77Å; H93-G96 PolarHBondContact O-N 2.73Å; H93-H97 PolarHBondContact O-N 3.28Å
94	T	98.6	Very high	98	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-37.8	177.3	-56.1	0	0	0	0	112.1	D73 M76 A77 A90	D73-T94 HydrophobicContact CB-CG2 4.25Å; M76-T94 HydrophobicContact CB-CG2 4.24Å; M76-T94 HydrophobicContact CG-CG2 4.32Å; M76-T94 HydrophobicContact SD-CG2 4Å; A77-T94 WeakPolarHBondContact CA-OG1 3.32Å; A77-T94 HydrophobicContact CB-CG2 4.34Å; A77-T94 PolarHBondContact N-OG1 3.4Å; A90-T94 PolarHBondContact O-N 2.86Å; A90-T94 PolarHBondContact O-OG1 3.28Å
95	F	98.8	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-41.4	177.2	-166.7	-150.7	0	0	0	111.7	R40 W43 M65 N68 H91 V92 H93 H97 C98 C99 I106	R40-F95 HydrophobicContact CB-CD1 4.46Å; R40-F95 HydrophobicContact CB-CE1 3.99Å; R40-F95 HydrophobicContact CB-CE2 4.41Å; R40-F95 HydrophobicContact CB-CZ 3.95Å; R40-F95 HydrophobicContact CG-CD1 3.89Å; R40-F95 HydrophobicContact CG-CD2 4.04Å; R40-F95 HydrophobicContact CG-CE1 3.89Å; R40-F95 HydrophobicContact CG-CE2 4.05Å; R40-F95 HydrophobicContact CG-CG 3.97Å; R40-F95 HydrophobicContact CG-CZ 3.97Å; W43-F95 AromaticContact CE3-CD1 3.77Å; W43-F95 HydrophobicContact CE3-CD1 3.77Å; W43-F95 HydrophobicContact CE3-CE1 4.29Å; W43-F95 HydrophobicContact CZ3-CD1 4.33Å; M65-F95 HydrophobicContact CB-CE1 4.27Å; M65-F95 HydrophobicContact CB-CZ 3.83Å; M65-F95 HydrophobicContact CE-CE1 3.96Å; M65-F95 HydrophobicContact CG-CE1 4.17Å; M65-F95 HydrophobicContact CG-CZ 4.11Å; N68-F95 HydrophobicContact CB-CE2 3.92Å; H91-F95 VanDerWaalsContact O-CB 3.23Å; H91-F95 WeakPolarHBondContact O-CB 3.08Å; H91-F95 PolarHBondContact O-N 3.23Å; V92-F95 PolarHBondContact O-N 2.92Å; H93-F95 VanDerWaalsContact C-N 3.31Å; H93-F95 PolarHBondContact O-N 2.77Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 2.99Å; F95-C98 PolarHBondContact O-N 3.1Å; F95-C98 PolarHBondContact O-SG 3.48Å; F95-C99 WeakPolarHBondContact CE2-SG 3.16Å; F95-C99 WeakPolarHBondContact O-CB 3.43Å; F95-C99 PolarHBondContact O-N 2.73Å; F95-I106 HydrophobicContact CB-CD1 4.22Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.2Å; F95-I106 HydrophobicContact CD1-CG2 4.23Å; F95-I106 HydrophobicContact CE1-CD1 4.24Å; F95-I106 HydrophobicContact CG-CD1 3.99Å
96	G	98.6	Very high	98.2	Very high	9 Å²	9	39.7 Å²	39.7	9%	0.093	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-31.6	173.1	0	0	0	0	0	113.5	V92 H93 C99 P100	V92-G96 PolarHBondContact O-N 3.24Å; H93-G96 PolarHBondContact O-N 2.73Å; G96-C99 CarbonylContact O-C 3.49Å; G96-C99 PolarHBondContact O-N 2.65Å; G96-C99 VanDerWaalsContact O-O 3.13Å; G96-P100 WeakPolarHBondContact O-CA 3.38Å
97	H	98.6	Very high	98.3	Very high	136 Å²	136	37.6 Å²	37.6	63%	0.63	22%	0.218	S	C	*	.	H	α-helix	trans	-64.3	-41.4	175.9	179.9	-96.9	0	0	0	113	M76 H93 F95 C99	M76-H97 HydrophobicContact CE-CB 3.73Å; M76-H97 HydrophobicContact SD-CB 4.04Å; H93-H97 PolarHBondContact O-N 3.28Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 2.99Å; H97-C99 VanDerWaalsContact C-N 3.35Å
98	C	98.3	Very high	98.4	Very high	31 Å²	31	37.4 Å²	37.4	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-85.6	-8.2	174.7	61.1	0	0	0	0	113.7	N68 F95	N68-C98 PolarHBondContact ND2-O 2.97Å; F95-C98 PolarHBondContact O-N 3.1Å; F95-C98 PolarHBondContact O-SG 3.48Å
99	C	98.6	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.			trans	-129.1	66.7	176.2	-53.2	0	0	0	0	110.8	E64 F95 G96 H97 K101 A102 A103 I106	E64-C99 HydrophobicContact CG-CB 3.87Å; E64-C99 WeakPolarHBondContact OE2-CA 3.49Å; E64-C99 WeakPolarHBondContact OE2-CB 3.39Å; F95-C99 WeakPolarHBondContact CE2-SG 3.16Å; F95-C99 WeakPolarHBondContact O-CB 3.43Å; F95-C99 PolarHBondContact O-N 2.73Å; G96-C99 CarbonylContact O-C 3.49Å; G96-C99 PolarHBondContact O-N 2.65Å; G96-C99 VanDerWaalsContact O-O 3.13Å; H97-C99 VanDerWaalsContact C-N 3.35Å; C99-K101 VanDerWaalsContact C-N 3.28Å; C99-K101 PolarHBondContact O-N 2.95Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.55Å; C99-A102 PolarHBondContact O-N 3.35Å; C99-A102 VanDerWaalsContact O-N 3.13Å; C99-A103 PolarHBondContact O-N 3.49Å; C99-I106 HydrophobicContact CB-CD1 4.5Å
100	P	98.5	Very high	98.3	Very high	92 Å²	92	35.7 Å²	35.7	60%	0.597	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.4	-172.6	25	-35.7	0	0	0	113.7	E64 G96	E64-P100 WeakPolarHBondContact OE1-CD 3.31Å; G96-P100 WeakPolarHBondContact O-CA 3.38Å
101	K	98.5	Very high	98.2	Very high	118 Å²	118	36.3 Å²	36.3	51%	0.513	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-39.4	176.2	-60.1	179.2	173.9	-170.3	0	110.7	E60 Q61 E64 C99	E60-K101 IonicContact OE2-NZ 3.58Å; E60-K101 PolarHBondContact OE2-NZ 3.42Å; Q61-K101 HydrophobicContact CG-CB 4.24Å; Q61-K101 WeakPolarHBondContact CG-O 3.42Å; Q61-K101 PolarHBondContact NE2-O 3.37Å; E64-K101 WeakPolarHBondContact OE2-CA 3.44Å; E64-K101 VanDerWaalsContact OE2-CB 3.31Å; E64-K101 WeakPolarHBondContact OE2-CB 3.22Å; E64-K101 PolarHBondContact OE2-N 2.78Å; C99-K101 VanDerWaalsContact C-N 3.28Å; C99-K101 PolarHBondContact O-N 2.95Å
102	A	98.6	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.7	-178.9	0	0	0	0	0	114.2	Q61 E64 M65 C99 G104 I105 I106	Q61-A102 HydrophobicContact CB-CB 3.95Å; Q61-A102 HydrophobicContact CG-CB 4.4Å; E64-A102 PolarHBondContact OE2-N 2.83Å; M65-A102 HydrophobicContact CG-CB 3.51Å; M65-A102 HydrophobicContact SD-CB 3.87Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.55Å; C99-A102 PolarHBondContact O-N 3.35Å; C99-A102 VanDerWaalsContact O-N 3.13Å; A102-G104 PolarHBondContact O-N 3.39Å; A102-I105 HydrophobicContact CB-CD1 4.03Å; A102-I105 HydrophobicContact CB-CG1 4.47Å; A102-I105 WeakPolarHBondContact O-CD1 3.44Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.28Å; A102-I105 PolarHBondContact O-N 2.84Å; A102-I106 HydrophobicContact CB-CD1 4.5Å; A102-I106 HydrophobicContact CB-CG1 4.47Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.12Å
103	A	98.3	Very high	98.2	Very high	42 Å²	42	37.7 Å²	37.7	35%	0.347	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-39.3	-171.5	0	0	0	0	0	114.3	C99 I105	C99-A103 PolarHBondContact O-N 3.49Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.12Å
104	G	98	Very high	98.2	Very high	71 Å²	71	33.8 Å²	33.8	73%	0.732	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.1	-179.5	0	0	0	0	0	115.5	A102	A102-G104 PolarHBondContact O-N 3.39Å
105	I	98.6	Very high	98.2	Very high	20 Å²	20	33.7 Å²	33.7	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-7.5	-178.2	61.7	69.6	0	0	0	112.9	A47 I57 Q61 M65 A102 A103 H107 L108	A47-I105 HydrophobicContact CB-CD1 4.18Å; I57-I105 HydrophobicContact CG1-CB 4.37Å; I57-I105 HydrophobicContact CG1-CG2 4.3Å; I57-I105 HydrophobicContact CG2-CG1 4.49Å; Q61-I105 HydrophobicContact CB-CG1 4.41Å; M65-I105 HydrophobicContact SD-CD1 3.64Å; A102-I105 HydrophobicContact CB-CD1 4.03Å; A102-I105 HydrophobicContact CB-CG1 4.47Å; A102-I105 WeakPolarHBondContact O-CD1 3.44Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.28Å; A102-I105 PolarHBondContact O-N 2.84Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.12Å; I105-H107 PolarHBondContact O-N 3.16Å; I105-L108 WeakPolarHBondContact O-CB 3.31Å; I105-L108 PolarHBondContact O-N 2.78Å
106	I	98.6	Very high	98.2	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.056	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	128.1	175	-68	166.5	0	0	0	108.6	W43 M65 V92 F95 C99 A102 L108	W43-I106 HydrophobicContact CD2-CG2 3.97Å; W43-I106 HydrophobicContact CE3-CG2 4.3Å; W43-I106 HydrophobicContact CG-CG2 4.06Å; M65-I106 HydrophobicContact CE-CG1 4.12Å; M65-I106 HydrophobicContact SD-CG1 4.34Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.29Å; F95-I106 HydrophobicContact CB-CD1 4.22Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.2Å; F95-I106 HydrophobicContact CD1-CG2 4.23Å; F95-I106 HydrophobicContact CE1-CD1 4.24Å; F95-I106 HydrophobicContact CG-CD1 3.99Å; C99-I106 HydrophobicContact CB-CD1 4.5Å; A102-I106 HydrophobicContact CB-CD1 4.5Å; A102-I106 HydrophobicContact CB-CG1 4.47Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.12Å; I106-L108 VanDerWaalsContact C-N 3.25Å; I106-L108 PolarHBondContact O-N 3.41Å
107	H	98.4	Very high	98.2	Very high	25 Å²	25	34.2 Å²	34.2	12%	0.116	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.6	178.7	-153.9	50.4	0	0	0	115.2	W43 V92 I105 G109 A110 T111 S112	W43-H107 AromaticContact CD1-ND1 3.79Å; W43-H107 AromaticContact NE1-CE1 3.91Å; W43-H107 AromaticContact NE1-CG 3.46Å; W43-H107 AromaticContact NE1-ND1 2.97Å; W43-H107 PolarHBondContact NE1-ND1 3.49Å; V92-H107 HydrophobicContact CG2-CB 3.95Å; I105-H107 PolarHBondContact O-N 3.16Å; H107-G109 PolarHBondContact O-N 3.14Å; H107-A110 WeakPolarHBondContact ND1-CB 3.19Å; H107-A110 PolarHBondContact O-N 3.08Å; H107-A110 VanDerWaalsContact O-N 3.14Å; H107-T111 PolarHBondContact CE1-O 3.27Å; H107-S112 PolarHBondContact NE2-N 3.21Å
108	L	98.1	Very high	98.2	Very high	50 Å²	50	27.8 Å²	27.8	26%	0.262	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	129.6	178.2	-172.9	62.6	0	0	0	111.2	L55 I105 I106 A110 L211	L55-L108 HydrophobicContact CD1-CD2 4.4Å; I105-L108 WeakPolarHBondContact O-CB 3.31Å; I105-L108 PolarHBondContact O-N 2.78Å; I106-L108 VanDerWaalsContact C-N 3.25Å; I106-L108 PolarHBondContact O-N 3.41Å; L108-A110 PolarHBondContact O-N 2.88Å; L108-L211 HydrophobicContact CD1-CD2 4.08Å; L108-L211 HydrophobicContact CD2-CD2 4.43Å; L108-L211 HydrophobicContact CG-CD1 3.96Å; L108-L211 HydrophobicContact CG-CD2 4.16Å
109	G	96.3	Very high	98.2	Very high	17 Å²	17	26.3 Å²	26.3	18%	0.175	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-12.6	179.7	0	0	0	0	0	116.6	H107 S207 F208	H107-G109 PolarHBondContact O-N 3.14Å; G109-S207 VanDerWaalsContact O-CB 3.26Å; G109-S207 WeakPolarHBondContact O-CB 3.47Å; G109-S207 PolarHBondContact O-OG 2.88Å; G109-F208 VanDerWaalsContact C-CZ 3.44Å; G109-F208 WeakPolarHBondContact O-CE2 3.46Å; G109-F208 WeakPolarHBondContact O-CZ 3.45Å
110	A	97.6	Very high	98.3	Very high	20 Å²	20	29 Å²	29	17%	0.165	19%	0.19	C	C	.	.			trans	-87.5	178.8	-174.3	0	0	0	0	0	112.6	L46 H107 L108 Y114 F208	L46-A110 HydrophobicContact CD2-CB 3.92Å; H107-A110 WeakPolarHBondContact ND1-CB 3.19Å; H107-A110 PolarHBondContact O-N 3.08Å; H107-A110 VanDerWaalsContact O-N 3.14Å; L108-A110 PolarHBondContact O-N 2.88Å; A110-Y114 HydrophobicContact CB-CD1 4.17Å; A110-Y114 HydrophobicContact CB-CG 4.1Å; A110-F208 HydrophobicContact CB-CZ 3.95Å
111	T	96.9	Very high	98.3	Very high	12 Å²	12	24.6 Å²	24.6	7%	0.074	16%	0.162	C	C	.	.			trans	-137.1	159	178.6	138.1	0	0	0	0	107.6	H107 C113 Y114 G200	H107-T111 PolarHBondContact CE1-O 3.27Å; T111-C113 PolarHBondContact O-N 2.96Å; T111-C113 PolarHBondContact OG1-N 3.48Å; T111-Y114 WeakPolarHBondContact O-CA 3.35Å; T111-Y114 WeakPolarHBondContact O-CB 3.49Å; T111-Y114 PolarHBondContact O-N 2.99Å; T111-G200 WeakPolarHBondContact CG2-O 3.43Å
112	S	97.1	Very high	98.3	Very high	33 Å²	33	19.4 Å²	19.4	23%	0.231	14%	0.139	C	C	.	.	H	α-helix	trans	-40.8	-41	177.2	-48.5	0	0	0	0	114.9	H86 H107 Y114 V115 G116	H86-S112 PolarHBondContact CE1-OG 3.42Å; H86-S112 PolarHBondContact NE2-OG 2.99Å; H107-S112 PolarHBondContact NE2-N 3.21Å; S112-Y114 VanDerWaalsContact C-N 3.25Å; S112-Y114 PolarHBondContact O-N 3.16Å; S112-V115 WeakPolarHBondContact O-CG2 3.25Å; S112-V115 PolarHBondContact O-N 3.15Å; S112-G116 PolarHBondContact O-N 3.06Å
113	C	98.3	Very high	98.3	Very high	19 Å²	19	20 Å²	20	13%	0.128	14%	0.142	C	C	.	.	H	α-helix	trans	-71.2	-13.8	178.4	-69.5	0	0	0	0	114.1	T111 V115 D117 Q241	T111-C113 PolarHBondContact O-N 2.96Å; T111-C113 PolarHBondContact OG1-N 3.48Å; C113-V115 VanDerWaalsContact C-N 3.33Å; C113-D117 HydrophobicContact CB-CB 4.46Å; C113-D117 WeakPolarHBondContact O-CB 3.5Å; C113-D117 PolarHBondContact O-N 3.46Å; C113-Q241 HydrophobicContact CB-CG 4.25Å; C113-Q241 WeakPolarHBondContact CB-O 3.47Å
114	Y	98.9	Very high	98.3	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-44.2	168.6	175.6	-106.9	0	0	0	111.3	L42 L46 A110 T111 S112 N118 V198	L42-Y114 HydrophobicContact CB-CE1 3.87Å; L42-Y114 PolarHBondContact O-OH 2.64Å; L46-Y114 HydrophobicContact CB-CE1 3.95Å; L46-Y114 HydrophobicContact CD2-CD1 4.24Å; L46-Y114 HydrophobicContact CD2-CE1 3.92Å; L46-Y114 HydrophobicContact CG-CE1 4.39Å; A110-Y114 HydrophobicContact CB-CD1 4.17Å; A110-Y114 HydrophobicContact CB-CG 4.1Å; T111-Y114 WeakPolarHBondContact O-CA 3.35Å; T111-Y114 WeakPolarHBondContact O-CB 3.49Å; T111-Y114 PolarHBondContact O-N 2.99Å; S112-Y114 VanDerWaalsContact C-N 3.25Å; S112-Y114 PolarHBondContact O-N 3.16Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.18Å; Y114-N118 PolarHBondContact O-ND2 3.26Å; Y114-V198 HydrophobicContact CD2-CG1 3.75Å; Y114-V198 HydrophobicContact CE2-CG1 3.57Å
115	V	98.7	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-90.5	-39.6	178.3	-66.4	0	0	0	0	112.6	W39 L42 W43 V88 S112 C113 T119	W39-V115 HydrophobicContact CB-CB 4.05Å; W39-V115 HydrophobicContact CB-CG1 4.27Å; W39-V115 HydrophobicContact CD2-CB 3.94Å; W39-V115 HydrophobicContact CD2-CG2 3.7Å; W39-V115 HydrophobicContact CE3-CG2 4Å; W39-V115 HydrophobicContact CG-CB 3.69Å; W39-V115 HydrophobicContact CG-CG1 4.44Å; W39-V115 HydrophobicContact CG-CG2 4.01Å; W39-V115 HydrophobicContact CZ2-CG2 4.33Å; W39-V115 HydrophobicContact CZ3-CG2 4.48Å; W39-V115 PolarHBondContact NE1-O 2.98Å; L42-V115 HydrophobicContact CB-CG1 4.18Å; L42-V115 HydrophobicContact CD1-CB 4.48Å; W43-V115 HydrophobicContact CD2-CG1 4.01Å; W43-V115 HydrophobicContact CG-CG1 4.25Å; W43-V115 HydrophobicContact CZ2-CB 4.49Å; W43-V115 HydrophobicContact CZ2-CG1 3.86Å; W43-V115 HydrophobicContact CZ2-CG2 4Å; V88-V115 HydrophobicContact CG1-CG2 3.78Å; V88-V115 HydrophobicContact CG2-CG2 3.9Å; S112-V115 WeakPolarHBondContact O-CG2 3.25Å; S112-V115 PolarHBondContact O-N 3.15Å; C113-V115 VanDerWaalsContact C-N 3.33Å; V115-T119 WeakPolarHBondContact O-CB 3.28Å; V115-T119 PolarHBondContact O-N 2.98Å; V115-T119 VanDerWaalsContact O-N 3.14Å; V115-T119 PolarHBondContact O-OG1 3.4Å
116	G	98.6	Very high	98.4	Very high	15 Å²	15	18.4 Å²	18.4	16%	0.155	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-66.5	179.9	0	0	0	0	0	112.3	S112 N118 T119 D120	S112-G116 PolarHBondContact O-N 3.06Å; G116-N118 PolarHBondContact O-N 2.8Å; G116-T119 PolarHBondContact O-N 2.95Å; G116-D120 PolarHBondContact O-N 3.23Å
117	D	98.8	Very high	98.4	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.032	11%	0.11	C	C	.	.	H	α-helix	trans	-67.2	-39.8	-172.9	-88.9	29	0	0	0	113.4	C113 T119 D120 L121 T242 Y243 R245	C113-D117 HydrophobicContact CB-CB 4.46Å; C113-D117 WeakPolarHBondContact O-CB 3.5Å; C113-D117 PolarHBondContact O-N 3.46Å; D117-T119 VanDerWaalsContact C-N 3.29Å; D117-T119 PolarHBondContact O-N 2.9Å; D117-D120 PolarHBondContact O-N 3.24Å; D117-L121 WeakPolarHBondContact O-CG 3.38Å; D117-L121 PolarHBondContact O-N 2.81Å; D117-T242 WeakPolarHBondContact OD2-CA 3.24Å; D117-T242 WeakPolarHBondContact OD2-CB 3.17Å; D117-Y243 HydrophobicContact CB-CD1 3.68Å; D117-Y243 HydrophobicContact CB-CE1 3.86Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.38Å; D117-Y243 PolarHBondContact OD2-N 3.49Å; D117-R245 IonicContact OD1-CZ 2.8Å; D117-R245 IonicContact OD1-NH2 2.55Å; D117-R245 PolarHBondContact OD1-NH2 3.34Å; D117-R245 IonicContact OD2-NH2 3.72Å
118	N	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-34.1	177.4	-75	-47.5	0	0	0	111.6	L42 Y114 G116 L121 I122 F195 R196 G197	L42-N118 HydrophobicContact CD1-CB 3.87Å; L42-N118 HydrophobicContact CD2-CB 3.97Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.18Å; Y114-N118 PolarHBondContact O-ND2 3.26Å; G116-N118 PolarHBondContact O-N 2.8Å; N118-L121 PolarHBondContact O-N 3.36Å; N118-I122 WeakPolarHBondContact O-CD1 3.4Å; N118-I122 VanDerWaalsContact O-CG1 3.28Å; N118-I122 WeakPolarHBondContact O-CG1 2.98Å; N118-I122 PolarHBondContact O-N 3.16Å; N118-F195 HydrophobicContact CB-CD2 4.44Å; N118-F195 HydrophobicContact CB-CE1 4.24Å; N118-F195 HydrophobicContact CB-CE2 3.52Å; N118-F195 HydrophobicContact CB-CZ 3.42Å; N118-F195 VanDerWaalsContact CB-CZ 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.43Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.29Å; N118-F195 VanDerWaalsContact OD1-CE1 3.28Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.42Å; N118-F195 VanDerWaalsContact OD1-CE2 3.25Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.48Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.26Å; N118-R196 VanDerWaalsContact OD1-CB 3.31Å; N118-R196 WeakPolarHBondContact OD1-CB 3.39Å; N118-R196 PolarHBondContact OD1-N 3.19Å; N118-G197 PolarHBondContact ND2-O 2.89Å; N118-G197 VanDerWaalsContact ND2-O 3.1Å; N118-G197 PolarHBondContact OD1-N 3.48Å
119	T	98.9	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-43.3	173.2	-63.4	0	0	0	0	111.1	K35 T38 L42 V115 G116 D117 L121 I122 I123	K35-T119 HydrophobicContact CG-CG2 4.13Å; T38-T119 HydrophobicContact CG2-CG2 3.86Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.23Å; V115-T119 WeakPolarHBondContact O-CB 3.28Å; V115-T119 PolarHBondContact O-N 2.98Å; V115-T119 VanDerWaalsContact O-N 3.14Å; V115-T119 PolarHBondContact O-OG1 3.4Å; G116-T119 PolarHBondContact O-N 2.95Å; D117-T119 VanDerWaalsContact C-N 3.29Å; D117-T119 PolarHBondContact O-N 2.9Å; T119-L121 VanDerWaalsContact C-N 3.31Å; T119-L121 PolarHBondContact O-N 2.94Å; T119-I122 WeakPolarHBondContact O-CB 3.36Å; T119-I122 PolarHBondContact O-N 2.87Å; T119-I122 VanDerWaalsContact O-N 3.15Å; T119-I123 HydrophobicContact CG2-CD1 3.8Å; T119-I123 HydrophobicContact CG2-CG1 4.28Å; T119-I123 WeakPolarHBondContact O-CB 3.39Å; T119-I123 WeakPolarHBondContact O-CG1 3.46Å; T119-I123 PolarHBondContact O-N 3.46Å
120	D	98.9	Very high	98.6	Very high	57 Å²	57	19 Å²	19	31%	0.305	11%	0.11	S	C	.	.	H	α-helix	trans	-58	-44.7	175.7	-68.1	-15.9	0	0	0	111	G116 D117 I122 I123 L124 Y243	G116-D120 PolarHBondContact O-N 3.23Å; D117-D120 PolarHBondContact O-N 3.24Å; D120-I122 VanDerWaalsContact C-N 3.35Å; D120-I122 PolarHBondContact O-N 2.82Å; D120-I123 WeakPolarHBondContact O-CB 3.49Å; D120-I123 PolarHBondContact O-N 3.45Å; D120-L124 WeakPolarHBondContact O-CB 3.35Å; D120-L124 VanDerWaalsContact O-CG 3.26Å; D120-L124 WeakPolarHBondContact O-CG 3.46Å; D120-L124 PolarHBondContact O-N 2.55Å; D120-Y243 HydrophobicContact CB-CE1 4.43Å
121	L	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-38.8	176.7	-68.3	166.1	0	0	0	112.5	D117 N118 T119 R125 L193 R196 F232 Y243 V247	D117-L121 WeakPolarHBondContact O-CG 3.38Å; D117-L121 PolarHBondContact O-N 2.81Å; N118-L121 PolarHBondContact O-N 3.36Å; T119-L121 VanDerWaalsContact C-N 3.31Å; T119-L121 PolarHBondContact O-N 2.94Å; L121-R125 WeakPolarHBondContact O-CB 3.34Å; L121-R125 PolarHBondContact O-N 2.71Å; L121-L193 HydrophobicContact CD2-CD1 4.04Å; L121-L193 HydrophobicContact CD2-CD2 4.37Å; L121-L193 HydrophobicContact CD2-CG 4.18Å; L121-L193 WeakPolarHBondContact O-CD2 3.44Å; L121-R196 HydrophobicContact CD1-CB 4.07Å; L121-F232 HydrophobicContact CB-CZ 4.14Å; L121-Y243 HydrophobicContact CD1-CD1 3.78Å; L121-Y243 HydrophobicContact CD1-CE1 4.34Å; L121-Y243 HydrophobicContact CD1-CG 4.24Å; L121-Y243 HydrophobicContact CD2-CD1 4.08Å; L121-Y243 HydrophobicContact CD2-CD2 4.38Å; L121-Y243 HydrophobicContact CD2-CE1 4.14Å; L121-Y243 HydrophobicContact CD2-CE2 4.45Å; L121-Y243 HydrophobicContact CD2-CG 4.21Å; L121-Y243 HydrophobicContact CG-CD1 3.85Å; L121-Y243 HydrophobicContact CG-CE1 3.92Å; L121-Y243 HydrophobicContact CG-CG 4.42Å; L121-V247 HydrophobicContact CD2-CG1 4.49Å
122	I	98.9	Very high	98.8	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-44.7	173.6	-70.2	163.7	0	0	0	110.5	T38 L42 W45 N118 T119 D120 R125 N126 F195 F232	T38-I122 HydrophobicContact CG2-CD1 3.78Å; T38-I122 HydrophobicContact CG2-CG2 4.36Å; L42-I122 HydrophobicContact CD2-CD1 4.27Å; W45-I122 HydrophobicContact CZ3-CD1 4.28Å; N118-I122 WeakPolarHBondContact O-CD1 3.4Å; N118-I122 VanDerWaalsContact O-CG1 3.28Å; N118-I122 WeakPolarHBondContact O-CG1 2.98Å; N118-I122 PolarHBondContact O-N 3.16Å; T119-I122 WeakPolarHBondContact O-CB 3.36Å; T119-I122 PolarHBondContact O-N 2.87Å; T119-I122 VanDerWaalsContact O-N 3.15Å; D120-I122 VanDerWaalsContact C-N 3.35Å; D120-I122 PolarHBondContact O-N 2.82Å; I122-R125 PolarHBondContact O-N 2.94Å; I122-N126 WeakPolarHBondContact O-CB 3.32Å; I122-N126 PolarHBondContact O-N 3.31Å; I122-N126 PolarHBondContact O-ND2 3.01Å; I122-N126 PolarHBondContact O-OD1 3.46Å; I122-F195 HydrophobicContact CD1-CE2 4.26Å; I122-F195 HydrophobicContact CG1-CE2 4.27Å; I122-F232 HydrophobicContact CG1-CE2 3.94Å
123	I	98.9	Very high	98.8	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.062	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-49.4	177.1	-74.1	173.4	0	0	0	110.3	V29 F30 Y34 T119 D120 R125 N126 A127	V29-I123 HydrophobicContact CG1-CB 4.44Å; V29-I123 HydrophobicContact CG1-CG2 3.95Å; F30-I123 HydrophobicContact CD1-CG2 3.63Å; F30-I123 HydrophobicContact CE1-CG2 3.32Å; F30-I123 HydrophobicContact CE2-CG2 4.36Å; F30-I123 HydrophobicContact CG-CG2 4.28Å; F30-I123 HydrophobicContact CZ-CG2 3.73Å; Y34-I123 HydrophobicContact CD1-CD1 4.42Å; Y34-I123 HydrophobicContact CD1-CG1 3.95Å; Y34-I123 HydrophobicContact CE1-CG1 3.92Å; T119-I123 HydrophobicContact CG2-CD1 3.8Å; T119-I123 HydrophobicContact CG2-CG1 4.28Å; T119-I123 WeakPolarHBondContact O-CB 3.39Å; T119-I123 WeakPolarHBondContact O-CG1 3.46Å; T119-I123 PolarHBondContact O-N 3.46Å; D120-I123 WeakPolarHBondContact O-CB 3.49Å; D120-I123 PolarHBondContact O-N 3.45Å; I123-R125 PolarHBondContact O-N 3.47Å; I123-N126 PolarHBondContact O-N 3.48Å; I123-A127 VanDerWaalsContact O-CB 3.29Å; I123-A127 WeakPolarHBondContact O-CB 3.33Å; I123-A127 PolarHBondContact O-N 3.45Å
124	L	98.9	Very high	98.9	Very high	29 Å²	29	24.4 Å²	24.4	15%	0.152	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-46.9	179.2	-70.5	176.2	0	0	0	111.6	D120 N126 A127 L128 L193 V251	D120-L124 WeakPolarHBondContact O-CB 3.35Å; D120-L124 VanDerWaalsContact O-CG 3.26Å; D120-L124 WeakPolarHBondContact O-CG 3.46Å; D120-L124 PolarHBondContact O-N 2.55Å; L124-N126 PolarHBondContact O-N 3.28Å; L124-A127 PolarHBondContact O-N 3.47Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 3.42Å; L124-L193 HydrophobicContact CB-CD2 4.31Å; L124-V251 HydrophobicContact CD2-CG1 4.36Å
125	R	98.9	Very high	98.9	Very high	36 Å²	36	25 Å²	25	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-47.7	176.8	-170	-175.2	67.5	-164.6	-3.4	111.4	L121 I122 I123 L128 D129 R190 L193 A230 G231 F232	L121-R125 WeakPolarHBondContact O-CB 3.34Å; L121-R125 PolarHBondContact O-N 2.71Å; I122-R125 PolarHBondContact O-N 2.94Å; I123-R125 PolarHBondContact O-N 3.47Å; R125-L128 PolarHBondContact O-N 3.3Å; R125-D129 PolarHBondContact O-N 3.39Å; R125-R190 HydrophobicContact CG-CG 4.45Å; R125-L193 HydrophobicContact CB-CD2 3.94Å; R125-A230 PolarHBondContact NH1-O 3.38Å; R125-A230 PolarHBondContact NH2-O 2.96Å; R125-G231 VanDerWaalsContact NH1-C 3.32Å; R125-G231 PolarHBondContact NH1-O 2.77Å; R125-G231 VanDerWaalsContact NH1-O 3.09Å; R125-F232 HydrophobicContact CB-CZ 4.28Å
126	N	98.9	Very high	98.9	Very high	35 Å²	35	26.9 Å²	26.9	19%	0.187	15%	0.15	C	C	.	.	H	α-helix	trans	-69.8	-35.7	-177.2	-66.8	-8.6	0	0	0	111.8	V29 Y34 I122 I123 L124 D129 L130	V29-N126 HydrophobicContact CG1-CB 4.39Å; Y34-N126 PolarHBondContact OH-ND2 2.99Å; I122-N126 WeakPolarHBondContact O-CB 3.32Å; I122-N126 PolarHBondContact O-N 3.31Å; I122-N126 PolarHBondContact O-ND2 3.01Å; I122-N126 PolarHBondContact O-OD1 3.46Å; I123-N126 PolarHBondContact O-N 3.48Å; L124-N126 PolarHBondContact O-N 3.28Å; N126-D129 PolarHBondContact O-N 2.99Å; N126-L130 WeakPolarHBondContact O-CG 3.41Å; N126-L130 PolarHBondContact O-N 2.98Å
127	A	98.9	Very high	98.9	Very high	10 Å²	10	32.3 Å²	32.3	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-44.1	172.6	0	0	0	0	0	111.4	M26 V29 F30 I123 L124 D129 L130 L131	M26-A127 HydrophobicContact CE-CB 4.28Å; M26-A127 HydrophobicContact SD-CB 3.85Å; V29-A127 HydrophobicContact CG1-CB 4.43Å; F30-A127 HydrophobicContact CE2-CB 3.79Å; F30-A127 HydrophobicContact CZ-CB 3.96Å; I123-A127 VanDerWaalsContact O-CB 3.29Å; I123-A127 WeakPolarHBondContact O-CB 3.33Å; I123-A127 PolarHBondContact O-N 3.45Å; L124-A127 PolarHBondContact O-N 3.47Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.2Å; A127-L130 WeakPolarHBondContact O-CB 3.27Å; A127-L130 PolarHBondContact O-N 2.81Å; A127-L130 VanDerWaalsContact O-N 3.17Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.31Å; A127-L131 VanDerWaalsContact O-N 3.1Å
128	L	98.9	Very high	98.9	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-42.5	173.5	-70.8	166.8	0	0	0	111.6	L124 R125 L130 L131 L132 L186 V189 R190	L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 3.42Å; R125-L128 PolarHBondContact O-N 3.3Å; L128-L130 PolarHBondContact O-N 3.04Å; L128-L131 PolarHBondContact O-N 3.15Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 2.97Å; L128-L132 PolarHBondContact O-N 3.47Å; L128-L186 HydrophobicContact CD2-CG 4.16Å; L128-V189 HydrophobicContact CD1-CG1 4.07Å; L128-R190 HydrophobicContact CB-CB 4.06Å; L128-R190 HydrophobicContact CB-CG 4.08Å; L128-R190 HydrophobicContact CD1-CB 3.94Å
129	D	98.9	Very high	98.9	Very high	55 Å²	55	36.1 Å²	36.1	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-27.3	176.2	-75.7	-20.1	0	0	0	113	R125 N126 A127 P133 R190	R125-D129 PolarHBondContact O-N 3.39Å; N126-D129 PolarHBondContact O-N 2.99Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.2Å; D129-P133 WeakPolarHBondContact O-CD 3.45Å; D129-P133 WeakPolarHBondContact O-CG 3.32Å; D129-R190 IonicContact OD1-CZ 3.76Å; D129-R190 IonicContact OD1-NE 3.8Å; D129-R190 PolarHBondContact OD1-NE 2.9Å; D129-R190 IonicContact OD1-NH2 2.98Å; D129-R190 PolarHBondContact OD1-NH2 3.04Å; D129-R190 IonicContact OD2-CZ 2.64Å; D129-R190 IonicContact OD2-NE 3.12Å; D129-R190 PolarHBondContact OD2-NE 3.34Å; D129-R190 IonicContact OD2-NH2 2.65Å; D129-R190 PolarHBondContact OD2-NH2 3.11Å
130	L	98.9	Very high	98.9	Very high	47 Å²	47	38.5 Å²	38.5	25%	0.246	21%	0.205	C	C	.	.	H	α-helix	trans	-78.4	-32.2	172	-68.7	177.3	0	0	0	113.3	E25 M26 V29 N126 A127 L128 K134	E25-L130 HydrophobicContact CB-CD1 4.16Å; E25-L130 HydrophobicContact CB-CD2 4.33Å; M26-L130 HydrophobicContact CB-CD1 4.49Å; M26-L130 HydrophobicContact CE-CB 3.77Å; M26-L130 HydrophobicContact CE-CD1 4.09Å; M26-L130 HydrophobicContact SD-CD1 4.23Å; V29-L130 HydrophobicContact CG2-CD1 3.87Å; N126-L130 WeakPolarHBondContact O-CG 3.41Å; N126-L130 PolarHBondContact O-N 2.98Å; A127-L130 WeakPolarHBondContact O-CB 3.27Å; A127-L130 PolarHBondContact O-N 2.81Å; A127-L130 VanDerWaalsContact O-N 3.17Å; L128-L130 PolarHBondContact O-N 3.04Å; L130-K134 WeakPolarHBondContact O-CD 3.33Å; L130-K134 WeakPolarHBondContact O-CG 3.48Å
131	L	98.9	Very high	98.9	Very high	50 Å²	50	43.2 Å²	43.2	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-77.3	-44.3	-179	-69.5	178.3	0	0	0	112.4	M26 A127 L128 K134 L135 L186 L255	M26-L131 HydrophobicContact CE-CD2 3.89Å; M26-L131 HydrophobicContact CE-CG 3.91Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.31Å; A127-L131 VanDerWaalsContact O-N 3.1Å; L128-L131 PolarHBondContact O-N 3.15Å; L131-K134 WeakPolarHBondContact O-CB 3.18Å; L131-K134 PolarHBondContact O-N 3.46Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-L186 HydrophobicContact CB-CD2 4.08Å; L131-L186 HydrophobicContact CD1-CD2 4.48Å; L131-L255 HydrophobicContact CD1-CD2 3.77Å
132	L	98.9	Very high	98.9	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-48.1	-53.8	-178	-76.2	167.8	0	0	0	114	L128 K134 L135 A136 L183 L186 K187 R190	L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 2.97Å; L128-L132 PolarHBondContact O-N 3.47Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 3.47Å; L132-L135 PolarHBondContact O-N 3.23Å; L132-A136 WeakPolarHBondContact O-CB 2.98Å; L132-A136 PolarHBondContact O-N 2.63Å; L132-L183 HydrophobicContact CD2-CD1 3.78Å; L132-L186 HydrophobicContact CD2-CB 3.74Å; L132-L186 HydrophobicContact CG-CB 4.49Å; L132-K187 HydrophobicContact CD1-CD 4.28Å; L132-K187 HydrophobicContact CD2-CB 4.15Å; L132-R190 HydrophobicContact CD1-CB 4.39Å; L132-R190 HydrophobicContact CD1-CG 4.26Å
133	P	98.8	Very high	98.8	Very high	54 Å²	54	46 Å²	46	35%	0.351	24%	0.239	S	C	.	.	H	α-helix	trans	-71	-26.3	-179.1	29.2	-36.6	0	0	0	112.8	D129 R137	D129-P133 WeakPolarHBondContact O-CD 3.45Å; D129-P133 WeakPolarHBondContact O-CG 3.32Å; P133-R137 WeakPolarHBondContact O-CG 3.08Å; P133-R137 PolarHBondContact O-N 3.06Å; P133-R137 VanDerWaalsContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 3.14Å
134	K	98.8	Very high	98.8	Very high	72 Å²	72	49.7 Å²	49.7	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-68.4	-47.9	174.3	-68.6	175.7	-177.8	-176.1	0	110.2	S23 L130 L131 L132 R137 V138	S23-K134 PolarHBondContact OG-NZ 3.23Å; L130-K134 WeakPolarHBondContact O-CD 3.33Å; L130-K134 WeakPolarHBondContact O-CG 3.48Å; L131-K134 WeakPolarHBondContact O-CB 3.18Å; L131-K134 PolarHBondContact O-N 3.46Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 3.47Å; K134-R137 VanDerWaalsContact CG-NH2 3.31Å; K134-R137 PolarHBondContact O-N 3.04Å; K134-V138 WeakPolarHBondContact O-CG2 3.44Å; K134-V138 PolarHBondContact O-N 3.49Å
135	L	98.8	Very high	98.8	Very high	14 Å²	14	52.1 Å²	52.1	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-44.5	176.8	-179.6	56.4	0	0	0	111.6	L131 L132 R137 V138 I139 L179 D182 L183 L186 L258	L131-L135 PolarHBondContact O-N 2.98Å; L132-L135 PolarHBondContact O-N 3.23Å; L135-R137 VanDerWaalsContact C-N 3.28Å; L135-R137 PolarHBondContact O-N 3.03Å; L135-V138 PolarHBondContact O-N 3.41Å; L135-V138 VanDerWaalsContact O-N 3.12Å; L135-I139 HydrophobicContact CD1-CD1 4.19Å; L135-I139 HydrophobicContact CD1-CG1 4.42Å; L135-I139 HydrophobicContact CG-CD1 3.98Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3.5Å; L135-L179 HydrophobicContact CD1-CB 4.19Å; L135-L179 HydrophobicContact CD1-CD2 3.96Å; L135-D182 HydrophobicContact CD2-CB 4.12Å; L135-L183 HydrophobicContact CB-CD1 4.4Å; L135-L183 HydrophobicContact CD2-CB 3.89Å; L135-L183 HydrophobicContact CD2-CD1 4.18Å; L135-L183 HydrophobicContact CG-CB 4.31Å; L135-L183 HydrophobicContact CG-CD1 4.28Å; L135-L186 HydrophobicContact CD2-CD2 4.28Å; L135-L258 HydrophobicContact CD1-CD1 4.06Å; L135-L258 HydrophobicContact CD2-CD1 4.39Å
136	A	98.8	Very high	98.8	Very high	40 Å²	40	50.8 Å²	50.8	33%	0.331	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-38.6	175.5	0	0	0	0	0	112.6	L132 I139 S140 L183	L132-A136 WeakPolarHBondContact O-CB 2.98Å; L132-A136 PolarHBondContact O-N 2.63Å; A136-I139 PolarHBondContact O-N 3.28Å; A136-S140 WeakPolarHBondContact O-CB 3.46Å; A136-S140 PolarHBondContact O-N 2.98Å; A136-L183 HydrophobicContact CB-CD1 4.46Å; A136-L183 HydrophobicContact CB-CD2 4.44Å
137	R	98.8	Very high	98.8	Very high	129 Å²	129	57.4 Å²	57.4	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-41.4	174.3	-77.5	-172.1	-61.9	-91.5	6.7	112.6	P133 K134 L135 I139 S140 R141	P133-R137 WeakPolarHBondContact O-CG 3.08Å; P133-R137 PolarHBondContact O-N 3.06Å; P133-R137 VanDerWaalsContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 3.14Å; K134-R137 VanDerWaalsContact CG-NH2 3.31Å; K134-R137 PolarHBondContact O-N 3.04Å; L135-R137 VanDerWaalsContact C-N 3.28Å; L135-R137 PolarHBondContact O-N 3.03Å; R137-I139 VanDerWaalsContact C-N 3.35Å; R137-S140 PolarHBondContact O-N 3.24Å; R137-R141 VanDerWaalsContact O-CG 3.31Å; R137-R141 WeakPolarHBondContact O-CG 3.49Å; R137-R141 PolarHBondContact O-N 2.95Å
138	V	98.8	Very high	98.8	Very high	66 Å²	66	63.1 Å²	63.1	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-49.4	175.1	172.9	0	0	0	0	110	K134 L135 S140 R141 L142 L179	K134-V138 WeakPolarHBondContact O-CG2 3.44Å; K134-V138 PolarHBondContact O-N 3.49Å; L135-V138 PolarHBondContact O-N 3.41Å; L135-V138 VanDerWaalsContact O-N 3.12Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.22Å; V138-R141 PolarHBondContact O-N 2.68Å; V138-L142 HydrophobicContact CG1-CD1 4Å; V138-L142 HydrophobicContact CG1-CG 4.49Å; V138-L142 WeakPolarHBondContact O-CG 3.14Å; V138-L142 PolarHBondContact O-N 2.84Å; V138-L179 HydrophobicContact CG1-CD1 3.97Å
139	I	98.8	Very high	98.8	Very high	19 Å²	19	67.4 Å²	67.4	10%	0.097	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-47.9	176.8	-69.1	162.9	0	0	0	110.9	L135 A136 R137 R141 L142 A143 I176 L179 L183	L135-I139 HydrophobicContact CD1-CD1 4.19Å; L135-I139 HydrophobicContact CD1-CG1 4.42Å; L135-I139 HydrophobicContact CG-CD1 3.98Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3.5Å; A136-I139 PolarHBondContact O-N 3.28Å; R137-I139 VanDerWaalsContact C-N 3.35Å; I139-R141 PolarHBondContact O-N 3.46Å; I139-L142 PolarHBondContact O-N 3.28Å; I139-A143 WeakPolarHBondContact O-CB 3.46Å; I139-A143 PolarHBondContact O-N 2.92Å; I139-I176 HydrophobicContact CG2-CG2 4.27Å; I139-L179 HydrophobicContact CD1-CB 4.05Å; I139-L179 WeakPolarHBondContact CD1-O 3.5Å; I139-L179 HydrophobicContact CG1-CB 3.69Å; I139-L179 HydrophobicContact CG1-CD1 4.49Å; I139-L183 HydrophobicContact CD1-CB 3.93Å; I139-L183 HydrophobicContact CD1-CD2 3.92Å; I139-L183 HydrophobicContact CD1-CG 4.46Å
140	S	98.9	Very high	98.8	Very high	50 Å²	50	67 Å²	67	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-44.8	178.8	169	0	0	0	0	112.3	A136 R137 V138 A143 D144	A136-S140 WeakPolarHBondContact O-CB 3.46Å; A136-S140 PolarHBondContact O-N 2.98Å; R137-S140 PolarHBondContact O-N 3.24Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.22Å; S140-A143 WeakPolarHBondContact O-CB 3.32Å; S140-A143 PolarHBondContact O-N 3.3Å; S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 3.31Å
141	R	98.8	Very high	98.8	Very high	157 Å²	157	70 Å²	70	59%	0.592	36%	0.362	S	S	*	.	H	α-helix	trans	-66.2	-39	179	-67.5	-67.3	174.6	-86.4	-2.7	112.4	R137 V138 I139 A143 D144 F145	R137-R141 VanDerWaalsContact O-CG 3.31Å; R137-R141 WeakPolarHBondContact O-CG 3.49Å; R137-R141 PolarHBondContact O-N 2.95Å; V138-R141 PolarHBondContact O-N 2.68Å; I139-R141 PolarHBondContact O-N 3.46Å; R141-A143 VanDerWaalsContact C-N 3.33Å; R141-D144 IonicContact NH1-OD2 3.71Å; R141-D144 PolarHBondContact O-N 2.88Å; R141-F145 PolarHBondContact O-N 3.37Å; R141-F145 VanDerWaalsContact O-N 3.11Å
142	L	98.8	Very high	98.8	Very high	25 Å²	25	71.1 Å²	71.1	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-37.9	173.3	-68.7	174.1	0	0	0	111.3	V138 I139 F145 A146 I176 L179 F266	V138-L142 HydrophobicContact CG1-CD1 4Å; V138-L142 HydrophobicContact CG1-CG 4.49Å; V138-L142 WeakPolarHBondContact O-CG 3.14Å; V138-L142 PolarHBondContact O-N 2.84Å; I139-L142 PolarHBondContact O-N 3.28Å; L142-F145 PolarHBondContact O-N 3.27Å; L142-A146 VanDerWaalsContact O-CB 3.27Å; L142-A146 WeakPolarHBondContact O-CB 2.96Å; L142-A146 PolarHBondContact O-N 2.97Å; L142-I176 HydrophobicContact CB-CD1 3.96Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.42Å; L142-L179 HydrophobicContact CD1-CD1 3.6Å; L142-F266 HydrophobicContact CD1-CZ 4.3Å
143	A	98.8	Very high	98.8	Very high	42 Å²	42	74.3 Å²	74.3	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-41.6	176.6	0	0	0	0	0	112.2	I139 S140 R141 F145 A146 K147 I176	I139-A143 WeakPolarHBondContact O-CB 3.46Å; I139-A143 PolarHBondContact O-N 2.92Å; S140-A143 WeakPolarHBondContact O-CB 3.32Å; S140-A143 PolarHBondContact O-N 3.3Å; R141-A143 VanDerWaalsContact C-N 3.33Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-F145 PolarHBondContact O-N 3.09Å; A143-A146 PolarHBondContact O-N 3.14Å; A143-K147 WeakPolarHBondContact O-CB 3.37Å; A143-K147 PolarHBondContact O-N 3.44Å; A143-I176 HydrophobicContact CB-CD1 4.22Å
144	D	98.9	Very high	98.7	Very high	88 Å²	88	73.6 Å²	73.6	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-57.6	-48.8	172.9	-64.9	-30.8	0	0	0	110.3	S140 R141 K147 E148	S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 3.31Å; R141-D144 IonicContact NH1-OD2 3.71Å; R141-D144 PolarHBondContact O-N 2.88Å; D144-K147 PolarHBondContact O-N 3.41Å; D144-E148 PolarHBondContact O-N 3.01Å
145	F	98.8	Very high	98.7	Very high	81 Å²	81	73.4 Å²	73.4	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-44.7	176.5	177.2	-97.6	0	0	0	112.7	R141 L142 A143 K147 E148 R149 V168 C172	R141-F145 PolarHBondContact O-N 3.37Å; R141-F145 VanDerWaalsContact O-N 3.11Å; L142-F145 PolarHBondContact O-N 3.27Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-F145 PolarHBondContact O-N 3.09Å; F145-K147 VanDerWaalsContact C-N 3.28Å; F145-K147 PolarHBondContact O-N 2.83Å; F145-E148 PolarHBondContact O-N 3.2Å; F145-R149 HydrophobicContact CD2-CG 4.2Å; F145-R149 HydrophobicContact CE1-CG 4.39Å; F145-R149 HydrophobicContact CE2-CG 3.88Å; F145-R149 HydrophobicContact CZ-CG 3.98Å; F145-R149 WeakPolarHBondContact O-CB 3.07Å; F145-R149 WeakPolarHBondContact O-CG 3.44Å; F145-R149 PolarHBondContact O-N 3.08Å; F145-V168 HydrophobicContact CE1-CG1 3.77Å; F145-V168 HydrophobicContact CZ-CG1 3.75Å; F145-C172 HydrophobicContact CD1-CB 4.13Å; F145-C172 HydrophobicContact CE1-CB 4.34Å
146	A	98.7	Very high	98.7	Very high	7 Å²	7	73.1 Å²	73.1	6%	0.058	39%	0.387	C	S	.	.	H	α-helix	trans	-62.9	-38.2	179.7	0	0	0	0	0	111.6	L142 A143 R149 A150 G169 C172 I176	L142-A146 VanDerWaalsContact O-CB 3.27Å; L142-A146 WeakPolarHBondContact O-CB 2.96Å; L142-A146 PolarHBondContact O-N 2.97Å; A143-A146 PolarHBondContact O-N 3.14Å; A146-R149 CarbonylContact O-C 3.56Å; A146-A150 VanDerWaalsContact O-CA 3.3Å; A146-A150 WeakPolarHBondContact O-CA 3.43Å; A146-A150 PolarHBondContact O-N 2.82Å; A146-G169 WeakPolarHBondContact O-CA 3.39Å; A146-C172 HydrophobicContact CB-CB 3.94Å; A146-I176 HydrophobicContact CB-CD1 3.82Å
147	K	98.8	Very high	98.6	Very high	174 Å²	174	75.6 Å²	75.6	76%	0.757	39%	0.39	S	S	*	.	H	α-helix	trans	-67.3	-47.8	175.8	-174	-178.3	-179.7	-176.9	0	111.6	A143 D144 F145 R149 A150	A143-K147 WeakPolarHBondContact O-CB 3.37Å; A143-K147 PolarHBondContact O-N 3.44Å; D144-K147 PolarHBondContact O-N 3.41Å; F145-K147 VanDerWaalsContact C-N 3.28Å; F145-K147 PolarHBondContact O-N 2.83Å; K147-R149 PolarHBondContact O-N 3.17Å; K147-A150 VanDerWaalsContact O-CB 3.3Å; K147-A150 WeakPolarHBondContact O-CB 3.33Å; K147-A150 PolarHBondContact O-N 3.44Å
148	E	98.8	Very high	98.4	Very high	130 Å²	130	73.5 Å²	73.5	61%	0.607	39%	0.392	S	S	*	.	H	α-helix	trans	-58.3	-38.8	176.8	-173.6	-166.3	138.3	0	0	111.6	D144 F145	D144-E148 PolarHBondContact O-N 3.01Å; F145-E148 PolarHBondContact O-N 3.2Å
149	R	98.6	Very high	98.2	Very high	94 Å²	94	79 Å²	79	36%	0.355	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	17.9	-176.1	-53.3	-59.3	173.9	155.7	-5.4	113.5	F145 A146 K147 S151 L152 V168 G169	F145-R149 HydrophobicContact CD2-CG 4.2Å; F145-R149 HydrophobicContact CE1-CG 4.39Å; F145-R149 HydrophobicContact CE2-CG 3.88Å; F145-R149 HydrophobicContact CZ-CG 3.98Å; F145-R149 WeakPolarHBondContact O-CB 3.07Å; F145-R149 WeakPolarHBondContact O-CG 3.44Å; F145-R149 PolarHBondContact O-N 3.08Å; A146-R149 CarbonylContact O-C 3.56Å; K147-R149 PolarHBondContact O-N 3.17Å; R149-S151 VanDerWaalsContact C-N 3.28Å; R149-S151 PolarHBondContact O-N 3.2Å; R149-L152 HydrophobicContact CB-CB 4.44Å; R149-L152 PolarHBondContact O-N 3.46Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.87Å; R149-V168 HydrophobicContact CG-CG1 4.24Å; R149-G169 WeakPolarHBondContact O-CA 3.43Å; R149-G169 PolarHBondContact O-N 3.41Å
150	A	98.6	Very high	97.9	Very high	48 Å²	48	84.1 Å²	84.1	40%	0.397	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.3	-172.8	0	0	0	0	0	113	A146 K147 T167	A146-A150 VanDerWaalsContact O-CA 3.3Å; A146-A150 WeakPolarHBondContact O-CA 3.43Å; A146-A150 PolarHBondContact O-N 2.82Å; K147-A150 VanDerWaalsContact O-CB 3.3Å; K147-A150 WeakPolarHBondContact O-CB 3.33Å; K147-A150 PolarHBondContact O-N 3.44Å; A150-T167 WeakPolarHBondContact O-CB 3.29Å; A150-T167 VanDerWaalsContact O-CG2 3.29Å; A150-T167 WeakPolarHBondContact O-CG2 3.2Å; A150-T167 PolarHBondContact O-OG1 3.32Å
151	S	98.6	Very high	97.7	Very high	109 Å²	109	87.7 Å²	87.7	76%	0.762	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	3.5	-176.9	-56	0	0	0	0	114	R149 P153	R149-S151 VanDerWaalsContact C-N 3.28Å; R149-S151 PolarHBondContact O-N 3.2Å; S151-P153 WeakPolarHBondContact O-CD 3.47Å
152	L	98.6	Very high	97.6	Very high	74 Å²	74	84.4 Å²	84.4	39%	0.387	45%	0.445	S	S	.	.			trans	-77.2	106.5	-179.8	175.8	59.1	0	0	0	109.9	R149 T167 V168	R149-L152 HydrophobicContact CB-CB 4.44Å; R149-L152 PolarHBondContact O-N 3.46Å; L152-T167 CarbonylContact O-C 3.48Å; L152-T167 WeakPolarHBondContact O-CA 3.41Å; L152-T167 VanDerWaalsContact O-CB 3.24Å; L152-T167 WeakPolarHBondContact O-CB 3.35Å; L152-V168 HydrophobicContact CB-CB 4.46Å; L152-V168 HydrophobicContact CB-CG2 4.45Å; L152-V168 HydrophobicContact CD2-CB 4.18Å; L152-V168 HydrophobicContact CD2-CG2 3.75Å; L152-V168 HydrophobicContact CG-CB 4.43Å; L152-V168 HydrophobicContact CG-CG2 3.93Å; L152-V168 PolarHBondContact O-N 3.44Å
153	P	98.5	Very high	97.6	Very high	87 Å²	87	84.5 Å²	84.5	57%	0.565	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	145.4	-178.5	-16.9	33.5	0	0	0	110.8	S151 T166	S151-P153 WeakPolarHBondContact O-CD 3.47Å; P153-T166 CarbonylContact C-O 3.05Å; P153-T166 WeakPolarHBondContact CA-O 3.05Å
154	T	98.5	Very high	97.5	Very high	39 Å²	39	90.6 Å²	90.6	24%	0.239	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.4	173.6	-169	0	0	0	0	109.7	G156 T166 V168	T154-G156 PolarHBondContact O-N 3.05Å; T154-T166 HydrophobicContact CG2-CG2 3.72Å; T154-T166 PolarHBondContact N-O 3.33Å; T154-T166 PolarHBondContact O-N 3.43Å; T154-T166 VanDerWaalsContact O-O 3.06Å; T154-V168 HydrophobicContact CG2-CG2 3.87Å
155	L	98.4	Very high	97.5	Very high	69 Å²	69	92.5 Å²	92.5	36%	0.361	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	128.2	179.6	-171	61.2	0	0	0	110.3	F157 P162 L165 R171	L155-F157 HydrophobicContact CB-CE2 4.37Å; L155-F157 HydrophobicContact CB-CZ 4.31Å; L155-F157 HydrophobicContact CD2-CE1 4.01Å; L155-F157 HydrophobicContact CD2-CZ 3.88Å; L155-F157 HydrophobicContact CG-CE1 4.42Å; L155-F157 HydrophobicContact CG-CZ 4.2Å; L155-F157 WeakPolarHBondContact O-CD2 3.26Å; L155-F157 WeakPolarHBondContact O-CE2 3.08Å; L155-P162 HydrophobicContact CD1-CB 4.2Å; L155-P162 HydrophobicContact CD2-CB 3.93Å; L155-P162 HydrophobicContact CD2-CG 4.06Å; L155-P162 HydrophobicContact CG-CB 4.36Å; L155-L165 HydrophobicContact CD1-CD2 4.25Å; L155-R171 PolarHBondContact O-NH2 2.88Å
156	G	97.8	Very high	97.5	Very high	7 Å²	7	90.4 Å²	90.4	7%	0.072	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.4	171.5	0	0	0	0	0	111.1	T154 A163 Q164	T154-G156 PolarHBondContact O-N 3.05Å; G156-A163 PolarHBondContact O-N 3.4Å; G156-Q164 WeakPolarHBondContact CA-O 3.49Å; G156-Q164 PolarHBondContact N-O 3.3Å
157	F	96.7	Very high	97.5	Very high	92 Å²	92	91.7 Å²	91.7	40%	0.404	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.4	179.8	-68.9	-75.6	0	0	0	111.6	L155 F160 Q161	L155-F157 HydrophobicContact CB-CE2 4.37Å; L155-F157 HydrophobicContact CB-CZ 4.31Å; L155-F157 HydrophobicContact CD2-CE1 4.01Å; L155-F157 HydrophobicContact CD2-CZ 3.88Å; L155-F157 HydrophobicContact CG-CE1 4.42Å; L155-F157 HydrophobicContact CG-CZ 4.2Å; L155-F157 WeakPolarHBondContact O-CD2 3.26Å; L155-F157 WeakPolarHBondContact O-CE2 3.08Å; F157-F160 HydrophobicContact CB-CD2 4.3Å; F157-F160 HydrophobicContact CD1-CD2 4.04Å; F157-F160 HydrophobicContact CG-CD2 4.11Å; F157-Q161 WeakPolarHBondContact CA-O 3.15Å
158	T	95.5	Very high	97.5	Very high	85 Å²	85	85 Å²	85	52%	0.521	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.3	168.6	55.9	0	0	0	0	107.6	F160 Q161 A163	T158-F160 PolarHBondContact O-N 3.32Å; T158-F160 VanDerWaalsContact O-N 3.13Å; T158-Q161 PolarHBondContact N-O 3.35Å; T158-Q161 VanDerWaalsContact N-O 3.17Å; T158-Q161 PolarHBondContact O-N 3.18Å; T158-A163 HydrophobicContact CG2-CB 4.25Å
159	H	93.7	Very high	97.5	Very high	182 Å²	182	79 Å²	79	84%	0.843	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	26.6	-166.2	-51.4	-79.9	0	0	0	113.1	Q161	H159-Q161 PolarHBondContact O-N 2.95Å; H159-Q161 VanDerWaalsContact O-N 3.1Å
160	F	92.8	Very high	97.5	Very high	127 Å²	127	80 Å²	80	56%	0.557	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	19.6	-169.3	-150.8	-160.2	0	0	0	115.3	F157 T158 E271	F157-F160 HydrophobicContact CB-CD2 4.3Å; F157-F160 HydrophobicContact CD1-CD2 4.04Å; F157-F160 HydrophobicContact CG-CD2 4.11Å; T158-F160 PolarHBondContact O-N 3.32Å; T158-F160 VanDerWaalsContact O-N 3.13Å; F160-E271 WeakPolarHBondContact CE1-OE2 3.43Å
161	Q	94.6	Very high	97.5	Very high	125 Å²	125	81.2 Å²	81.2	58%	0.584	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	151	174.5	-65.5	-59.7	-48.4	0	0	111.2	F157 T158 H159 A163	F157-Q161 WeakPolarHBondContact CA-O 3.15Å; T158-Q161 PolarHBondContact N-O 3.35Å; T158-Q161 VanDerWaalsContact N-O 3.17Å; T158-Q161 PolarHBondContact O-N 3.18Å; H159-Q161 PolarHBondContact O-N 2.95Å; H159-Q161 VanDerWaalsContact O-N 3.1Å; Q161-A163 PolarHBondContact O-N 2.98Å
162	P	97.9	Very high	97.5	Very high	88 Å²	88	76 Å²	76	57%	0.571	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.6	127.2	175.9	-29.8	36.9	0	0	0	113	L155	L155-P162 HydrophobicContact CD1-CB 4.2Å; L155-P162 HydrophobicContact CD2-CB 3.93Å; L155-P162 HydrophobicContact CD2-CG 4.06Å; L155-P162 HydrophobicContact CG-CB 4.36Å
163	A	97.3	Very high	97.5	Very high	26 Å²	26	75.2 Å²	75.2	22%	0.215	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	-172.4	175.5	0	0	0	0	0	110.7	G156 T158 Q161	G156-A163 PolarHBondContact O-N 3.4Å; T158-A163 HydrophobicContact CG2-CB 4.25Å; Q161-A163 PolarHBondContact O-N 2.98Å
164	Q	98.1	Very high	97.5	Very high	170 Å²	170	75.1 Å²	75.1	79%	0.794	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	146.3	177.3	-64.1	81.6	10.8	0	0	111.5	G156	G156-Q164 WeakPolarHBondContact CA-O 3.49Å; G156-Q164 PolarHBondContact N-O 3.3Å
165	L	98.3	Very high	97.5	Very high	128 Å²	128	76 Å²	76	67%	0.67	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	142.2	179.2	-63.6	-178.9	0	0	0	111.3	L155	L155-L165 HydrophobicContact CD1-CD2 4.25Å
166	T	98.6	Very high	97.5	Very high	38 Å²	38	73.9 Å²	73.9	23%	0.233	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-169.9	166.4	-170.6	0	0	0	0	108.4	P153 T154 K170	P153-T166 CarbonylContact C-O 3.05Å; P153-T166 WeakPolarHBondContact CA-O 3.05Å; T154-T166 HydrophobicContact CG2-CG2 3.72Å; T154-T166 PolarHBondContact N-O 3.33Å; T154-T166 PolarHBondContact O-N 3.43Å; T154-T166 VanDerWaalsContact O-O 3.06Å; T166-K170 WeakPolarHBondContact OG1-CG 3.4Å
167	T	98.8	Very high	97.5	Very high	33 Å²	33	79.2 Å²	79.2	20%	0.202	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	154.3	166.9	70.5	0	0	0	0	111.1	A150 L152 G169 K170 R171	A150-T167 WeakPolarHBondContact O-CB 3.29Å; A150-T167 VanDerWaalsContact O-CG2 3.29Å; A150-T167 WeakPolarHBondContact O-CG2 3.2Å; A150-T167 PolarHBondContact O-OG1 3.32Å; L152-T167 CarbonylContact O-C 3.48Å; L152-T167 WeakPolarHBondContact O-CA 3.41Å; L152-T167 VanDerWaalsContact O-CB 3.24Å; L152-T167 WeakPolarHBondContact O-CB 3.35Å; T167-G169 PolarHBondContact O-N 3.02Å; T167-K170 PolarHBondContact O-N 2.88Å; T167-K170 VanDerWaalsContact OG1-CB 3.31Å; T167-K170 WeakPolarHBondContact OG1-CB 3.41Å; T167-K170 PolarHBondContact OG1-N 2.91Å; T167-R171 PolarHBondContact O-N 3.39Å
168	V	98.6	Very high	97.6	Very high	35 Å²	35	77 Å²	77	21%	0.212	39%	0.389	C	S	.	.	H	α-helix	trans	-56.6	-43.1	175.5	172.8	0	0	0	0	110.1	F145 R149 L152 T154 R171 C172	F145-V168 HydrophobicContact CE1-CG1 3.77Å; F145-V168 HydrophobicContact CZ-CG1 3.75Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.87Å; R149-V168 HydrophobicContact CG-CG1 4.24Å; L152-V168 HydrophobicContact CB-CB 4.46Å; L152-V168 HydrophobicContact CB-CG2 4.45Å; L152-V168 HydrophobicContact CD2-CB 4.18Å; L152-V168 HydrophobicContact CD2-CG2 3.75Å; L152-V168 HydrophobicContact CG-CB 4.43Å; L152-V168 HydrophobicContact CG-CG2 3.93Å; L152-V168 PolarHBondContact O-N 3.44Å; T154-V168 HydrophobicContact CG2-CG2 3.87Å; V168-R171 PolarHBondContact O-N 2.94Å; V168-C172 PolarHBondContact O-N 3.43Å
169	G	98.6	Very high	97.8	Very high	2 Å²	2	73 Å²	73	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-45.6	175.1	0	0	0	0	0	113.1	A146 R149 T167 R171 C172 C173	A146-G169 WeakPolarHBondContact O-CA 3.39Å; R149-G169 WeakPolarHBondContact O-CA 3.43Å; R149-G169 PolarHBondContact O-N 3.41Å; T167-G169 PolarHBondContact O-N 3.02Å; G169-R171 VanDerWaalsContact C-N 3.3Å; G169-R171 PolarHBondContact O-N 2.98Å; G169-C172 WeakPolarHBondContact O-CB 3.29Å; G169-C172 PolarHBondContact O-N 2.99Å; G169-C172 VanDerWaalsContact O-N 3.12Å; G169-C173 PolarHBondContact O-N 3.09Å; G169-C173 PolarHBondContact O-SG 2.99Å
170	K	98.7	Very high	98	Very high	117 Å²	117	66.5 Å²	66.5	51%	0.509	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-38.5	176.8	171.8	58.5	-169.1	-71.3	0	112.4	T166 T167 C173	T166-K170 WeakPolarHBondContact OG1-CG 3.4Å; T167-K170 PolarHBondContact O-N 2.88Å; T167-K170 VanDerWaalsContact OG1-CB 3.31Å; T167-K170 WeakPolarHBondContact OG1-CB 3.41Å; T167-K170 PolarHBondContact OG1-N 2.91Å; K170-C173 WeakPolarHBondContact O-CB 3.33Å; K170-C173 PolarHBondContact O-N 2.95Å
171	R	98.3	Very high	98.3	Very high	72 Å²	72	65 Å²	65	27%	0.272	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-44.3	174.5	-178	176.2	-67.2	153.7	4.7	111.2	L155 T167 V168 G169 C173 L174 W175	L155-R171 PolarHBondContact O-NH2 2.88Å; T167-R171 PolarHBondContact O-N 3.39Å; V168-R171 PolarHBondContact O-N 2.94Å; G169-R171 VanDerWaalsContact C-N 3.3Å; G169-R171 PolarHBondContact O-N 2.98Å; R171-C173 VanDerWaalsContact C-N 3.27Å; R171-C173 PolarHBondContact O-N 2.96Å; R171-L174 WeakPolarHBondContact O-CB 3.3Å; R171-L174 PolarHBondContact O-N 3.42Å; R171-L174 VanDerWaalsContact O-N 3.1Å; R171-W175 HydrophobicContact CG-CZ2 4.12Å
172	C	98.5	Very high	98.5	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-36.4	176.4	-170.7	0	0	0	0	112.3	F145 A146 V168 G169 L174 W175 I176	F145-C172 HydrophobicContact CD1-CB 4.13Å; F145-C172 HydrophobicContact CE1-CB 4.34Å; A146-C172 HydrophobicContact CB-CB 3.94Å; V168-C172 PolarHBondContact O-N 3.43Å; G169-C172 WeakPolarHBondContact O-CB 3.29Å; G169-C172 PolarHBondContact O-N 2.99Å; G169-C172 VanDerWaalsContact O-N 3.12Å; C172-L174 PolarHBondContact O-N 3.32Å; C172-W175 HydrophobicContact CB-CE3 4.14Å; C172-W175 HydrophobicContact CB-CZ3 4.28Å; C172-W175 WeakPolarHBondContact O-CB 3.42Å; C172-W175 PolarHBondContact O-N 3.4Å; C172-I176 WeakPolarHBondContact O-CG1 3.42Å; C172-I176 PolarHBondContact O-N 3.24Å
173	C	98.8	Very high	98.6	Very high	58 Å²	58	57.1 Å²	57.1	39%	0.392	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-28.8	174.9	-65.9	0	0	0	0	113.8	G169 K170 R171 I176 Q177	G169-C173 PolarHBondContact O-N 3.09Å; G169-C173 PolarHBondContact O-SG 2.99Å; K170-C173 WeakPolarHBondContact O-CB 3.33Å; K170-C173 PolarHBondContact O-N 2.95Å; R171-C173 VanDerWaalsContact C-N 3.27Å; R171-C173 PolarHBondContact O-N 2.96Å; C173-I176 PolarHBondContact O-N 3.06Å; C173-Q177 WeakPolarHBondContact O-CB 3.35Å; C173-Q177 PolarHBondContact O-N 3.28Å
174	L	98.3	Very high	98.7	Very high	84 Å²	84	62.2 Å²	62.2	44%	0.44	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.1	-59.9	175.6	0	0	0	111.1	R171 C172 Q177 D178	R171-L174 WeakPolarHBondContact O-CB 3.3Å; R171-L174 PolarHBondContact O-N 3.42Å; R171-L174 VanDerWaalsContact O-N 3.1Å; C172-L174 PolarHBondContact O-N 3.32Å; L174-Q177 PolarHBondContact O-N 2.9Å; L174-D178 PolarHBondContact O-N 3.33Å
175	W	98.6	Very high	98.7	Very high	59 Å²	59	56.2 Å²	56.2	22%	0.223	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-41.4	176.6	-48.3	-33.7	0	0	0	111.6	R171 C172 Q177 D178 L179	R171-W175 HydrophobicContact CG-CZ2 4.12Å; C172-W175 HydrophobicContact CB-CE3 4.14Å; C172-W175 HydrophobicContact CB-CZ3 4.28Å; C172-W175 WeakPolarHBondContact O-CB 3.42Å; C172-W175 PolarHBondContact O-N 3.4Å; W175-Q177 VanDerWaalsContact C-N 3.29Å; W175-Q177 PolarHBondContact O-N 3.49Å; W175-D178 PolarHBondContact O-N 2.93Å; W175-L179 WeakPolarHBondContact O-CG 3.4Å; W175-L179 PolarHBondContact O-N 3.17Å
176	I	98.8	Very high	98.7	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-42.2	176.9	-67.5	167.6	0	0	0	110.8	I139 L142 A143 A146 C172 C173 D178 L179 C180	I139-I176 HydrophobicContact CG2-CG2 4.27Å; L142-I176 HydrophobicContact CB-CD1 3.96Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.42Å; A143-I176 HydrophobicContact CB-CD1 4.22Å; A146-I176 HydrophobicContact CB-CD1 3.82Å; C172-I176 WeakPolarHBondContact O-CG1 3.42Å; C172-I176 PolarHBondContact O-N 3.24Å; C173-I176 PolarHBondContact O-N 3.06Å; I176-D178 PolarHBondContact O-N 3.1Å; I176-L179 PolarHBondContact O-N 3.11Å; I176-C180 WeakPolarHBondContact O-CB 3.44Å; I176-C180 PolarHBondContact O-N 2.82Å; I176-C180 PolarHBondContact O-SG 3.42Å; I176-C180 VanDerWaalsContact O-SG 3.33Å
177	Q	98.8	Very high	98.7	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-57.7	-50.9	-179.6	-174.6	179.3	-84.2	0	0	111.7	C173 L174 W175 L179 C180 M181	C173-Q177 WeakPolarHBondContact O-CB 3.35Å; C173-Q177 PolarHBondContact O-N 3.28Å; L174-Q177 PolarHBondContact O-N 2.9Å; W175-Q177 VanDerWaalsContact C-N 3.29Å; W175-Q177 PolarHBondContact O-N 3.49Å; Q177-L179 PolarHBondContact O-N 3.04Å; Q177-C180 WeakPolarHBondContact O-CB 3.21Å; Q177-C180 PolarHBondContact O-N 2.87Å; Q177-M181 WeakPolarHBondContact O-CG 3.27Å; Q177-M181 PolarHBondContact O-N 3.08Å; Q177-M181 VanDerWaalsContact O-N 3.11Å
178	D	98.8	Very high	98.7	Very high	44 Å²	44	56.6 Å²	56.6	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-45.6	179.9	-66.5	-7.3	0	0	0	110.9	L174 W175 I176 C180 M181 D182	L174-D178 PolarHBondContact O-N 3.33Å; W175-D178 PolarHBondContact O-N 2.93Å; I176-D178 PolarHBondContact O-N 3.1Å; D178-C180 VanDerWaalsContact C-N 3.32Å; D178-C180 PolarHBondContact O-N 3.05Å; D178-M181 WeakPolarHBondContact O-CB 3.38Å; D178-M181 PolarHBondContact O-N 2.61Å; D178-M181 VanDerWaalsContact O-N 3.11Å; D178-D182 PolarHBondContact O-N 3.37Å
179	L	98.8	Very high	98.7	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-32.8	178.7	-65.1	174.9	0	0	0	113.1	L135 V138 I139 L142 W175 I176 Q177 D182 L183 L258 V262	L135-L179 HydrophobicContact CD1-CB 4.19Å; L135-L179 HydrophobicContact CD1-CD2 3.96Å; V138-L179 HydrophobicContact CG1-CD1 3.97Å; I139-L179 HydrophobicContact CD1-CB 4.05Å; I139-L179 WeakPolarHBondContact CD1-O 3.5Å; I139-L179 HydrophobicContact CG1-CB 3.69Å; I139-L179 HydrophobicContact CG1-CD1 4.49Å; L142-L179 HydrophobicContact CD1-CD1 3.6Å; W175-L179 WeakPolarHBondContact O-CG 3.4Å; W175-L179 PolarHBondContact O-N 3.17Å; I176-L179 PolarHBondContact O-N 3.11Å; Q177-L179 PolarHBondContact O-N 3.04Å; L179-D182 PolarHBondContact O-N 3.32Å; L179-L183 PolarHBondContact O-N 3.41Å; L179-L258 HydrophobicContact CD2-CD1 3.87Å; L179-V262 HydrophobicContact CD2-CG2 4.4Å
180	C	98.9	Very high	98.8	Very high	45 Å²	45	58.4 Å²	58.4	30%	0.304	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-39.4	172.6	-78.5	0	0	0	0	111.7	I176 Q177 D178 D182 L183 Q184	I176-C180 WeakPolarHBondContact O-CB 3.44Å; I176-C180 PolarHBondContact O-N 2.82Å; I176-C180 PolarHBondContact O-SG 3.42Å; I176-C180 VanDerWaalsContact O-SG 3.33Å; Q177-C180 WeakPolarHBondContact O-CB 3.21Å; Q177-C180 PolarHBondContact O-N 2.87Å; D178-C180 VanDerWaalsContact C-N 3.32Å; D178-C180 PolarHBondContact O-N 3.05Å; C180-D182 VanDerWaalsContact C-N 3.31Å; C180-L183 PolarHBondContact O-N 3.04Å; C180-Q184 WeakPolarHBondContact O-CG 3.41Å; C180-Q184 PolarHBondContact O-N 3.37Å
181	M	98.9	Very high	98.8	Very high	95 Å²	95	56 Å²	56	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-42.4	173.3	-64.1	166	58.1	0	0	110.6	Q177 D178 Q184 N185	Q177-M181 WeakPolarHBondContact O-CG 3.27Å; Q177-M181 PolarHBondContact O-N 3.08Å; Q177-M181 VanDerWaalsContact O-N 3.11Å; D178-M181 WeakPolarHBondContact O-CB 3.38Å; D178-M181 PolarHBondContact O-N 2.61Å; D178-M181 VanDerWaalsContact O-N 3.11Å; M181-Q184 PolarHBondContact O-N 2.77Å; M181-N185 WeakPolarHBondContact O-CB 3.44Å; M181-N185 PolarHBondContact O-N 3.41Å; M181-N185 PolarHBondContact O-ND2 2.85Å
182	D	98.9	Very high	98.8	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-41.7	175.6	-64.6	-46.6	0	0	0	112	L135 D178 L179 C180 Q184 N185 L186 S257 L258 S261	L135-D182 HydrophobicContact CD2-CB 4.12Å; D178-D182 PolarHBondContact O-N 3.37Å; L179-D182 PolarHBondContact O-N 3.32Å; C180-D182 VanDerWaalsContact C-N 3.31Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 2.8Å; D182-N185 PolarHBondContact O-N 3.13Å; D182-L186 VanDerWaalsContact O-CD1 3.26Å; D182-L186 WeakPolarHBondContact O-CD1 3.39Å; D182-L186 PolarHBondContact O-N 2.98Å; D182-S257 PolarHBondContact OD1-OG 3.47Å; D182-S257 VanDerWaalsContact OD1-OG 3.08Å; D182-L258 HydrophobicContact CB-CB 4.23Å; D182-L258 HydrophobicContact CB-CD1 3.88Å; D182-L258 PolarHBondContact OD1-N 3.31Å; D182-L258 WeakPolarHBondContact OD2-CA 3.39Å; D182-S261 WeakPolarHBondContact OD2-CB 3.32Å; D182-S261 PolarHBondContact OD2-OG 3.16Å
183	L	98.9	Very high	98.8	Very high	48 Å²	48	58 Å²	58	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-43.8	176.8	-177.5	67	0	0	0	111.7	L132 L135 A136 I139 L179 C180 N185 K187	L132-L183 HydrophobicContact CD2-CD1 3.78Å; L135-L183 HydrophobicContact CB-CD1 4.4Å; L135-L183 HydrophobicContact CD2-CB 3.89Å; L135-L183 HydrophobicContact CD2-CD1 4.18Å; L135-L183 HydrophobicContact CG-CB 4.31Å; L135-L183 HydrophobicContact CG-CD1 4.28Å; A136-L183 HydrophobicContact CB-CD1 4.46Å; A136-L183 HydrophobicContact CB-CD2 4.44Å; I139-L183 HydrophobicContact CD1-CB 3.93Å; I139-L183 HydrophobicContact CD1-CD2 3.92Å; I139-L183 HydrophobicContact CD1-CG 4.46Å; L179-L183 PolarHBondContact O-N 3.41Å; C180-L183 PolarHBondContact O-N 3.04Å; L183-N185 VanDerWaalsContact C-N 3.35Å; L183-K187 WeakPolarHBondContact O-CB 3.41Å; L183-K187 PolarHBondContact O-N 2.87Å
184	Q	98.9	Very high	98.8	Very high	133 Å²	133	59.8 Å²	59.8	62%	0.621	28%	0.282	S	S	*	.	H	α-helix	trans	-61.5	-44	175.3	-70.9	169.9	-36.7	0	0	111.3	C180 M181 D182 K187 R188	C180-Q184 WeakPolarHBondContact O-CG 3.41Å; C180-Q184 PolarHBondContact O-N 3.37Å; M181-Q184 PolarHBondContact O-N 2.77Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 2.8Å; Q184-K187 PolarHBondContact O-N 3.24Å; Q184-R188 WeakPolarHBondContact O-CB 3.34Å; Q184-R188 PolarHBondContact O-N 3.33Å
185	N	98.9	Very high	98.8	Very high	43 Å²	43	55.8 Å²	55.8	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-47.1	179.1	-80.7	-34.1	0	0	0	112.8	M181 D182 L183 K187 R188 V189 V254	M181-N185 WeakPolarHBondContact O-CB 3.44Å; M181-N185 PolarHBondContact O-N 3.41Å; M181-N185 PolarHBondContact O-ND2 2.85Å; D182-N185 PolarHBondContact O-N 3.13Å; L183-N185 VanDerWaalsContact C-N 3.35Å; N185-K187 VanDerWaalsContact C-N 3.31Å; N185-K187 PolarHBondContact O-N 3.23Å; N185-R188 PolarHBondContact O-N 3.02Å; N185-R188 PolarHBondContact OD1-NH2 2.91Å; N185-V189 WeakPolarHBondContact O-CG2 3.3Å; N185-V189 PolarHBondContact O-N 3.49Å; N185-V254 HydrophobicContact CB-CB 4.11Å; N185-V254 HydrophobicContact CB-CG1 3.79Å
186	L	98.8	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-41.8	176.3	-91.9	64.7	0	0	0	111	L128 L131 L132 L135 D182 R190 V254	L128-L186 HydrophobicContact CD2-CG 4.16Å; L131-L186 HydrophobicContact CB-CD2 4.08Å; L131-L186 HydrophobicContact CD1-CD2 4.48Å; L132-L186 HydrophobicContact CD2-CB 3.74Å; L132-L186 HydrophobicContact CG-CB 4.49Å; L135-L186 HydrophobicContact CD2-CD2 4.28Å; D182-L186 VanDerWaalsContact O-CD1 3.26Å; D182-L186 WeakPolarHBondContact O-CD1 3.39Å; D182-L186 PolarHBondContact O-N 2.98Å; L186-R190 VanDerWaalsContact O-CB 3.27Å; L186-R190 WeakPolarHBondContact O-CB 3.39Å; L186-R190 PolarHBondContact O-N 3.29Å; L186-V254 HydrophobicContact CD1-CB 4.06Å; L186-V254 HydrophobicContact CD1-CG2 3.86Å
187	K	98.9	Very high	98.8	Very high	97 Å²	97	51.9 Å²	51.9	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-45.9	178.2	-175.6	67.3	168.4	76.7	0	111.3	L132 L183 Q184 N185 R190 D191	L132-K187 HydrophobicContact CD1-CD 4.28Å; L132-K187 HydrophobicContact CD2-CB 4.15Å; L183-K187 WeakPolarHBondContact O-CB 3.41Å; L183-K187 PolarHBondContact O-N 2.87Å; Q184-K187 PolarHBondContact O-N 3.24Å; N185-K187 VanDerWaalsContact C-N 3.31Å; N185-K187 PolarHBondContact O-N 3.23Å; K187-R190 PolarHBondContact O-N 3.44Å; K187-D191 IonicContact NZ-OD1 2.88Å; K187-D191 PolarHBondContact NZ-OD1 3.11Å; K187-D191 IonicContact NZ-OD2 3.88Å; K187-D191 PolarHBondContact NZ-OD2 3.36Å; K187-D191 WeakPolarHBondContact O-CB 3.31Å; K187-D191 VanDerWaalsContact O-CG 3.26Å; K187-D191 PolarHBondContact O-N 3.06Å
188	R	98.9	Very high	98.8	Very high	110 Å²	110	46.2 Å²	46.2	42%	0.415	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-53.5	177.2	177.8	176.6	54.2	71.5	1.4	111.3	Q184 N185 R190 D191 D192	Q184-R188 WeakPolarHBondContact O-CB 3.34Å; Q184-R188 PolarHBondContact O-N 3.33Å; N185-R188 PolarHBondContact O-N 3.02Å; N185-R188 PolarHBondContact OD1-NH2 2.91Å; R188-R190 VanDerWaalsContact C-N 3.28Å; R188-R190 PolarHBondContact O-N 3.43Å; R188-D191 PolarHBondContact O-N 3.39Å; R188-D192 VanDerWaalsContact CG-OD2 3.27Å; R188-D192 WeakPolarHBondContact CG-OD2 3.43Å; R188-D192 WeakPolarHBondContact O-CB 3.33Å; R188-D192 VanDerWaalsContact O-CG 3.31Å; R188-D192 PolarHBondContact O-N 3.25Å
189	V	98.8	Very high	98.8	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-42.3	179.1	172.1	0	0	0	0	111.3	L128 N185 L193 V251 V254	L128-V189 HydrophobicContact CD1-CG1 4.07Å; N185-V189 WeakPolarHBondContact O-CG2 3.3Å; N185-V189 PolarHBondContact O-N 3.49Å; V189-L193 PolarHBondContact O-N 2.86Å; V189-L193 VanDerWaalsContact O-N 3.16Å; V189-V251 HydrophobicContact CG1-CB 4.39Å; V189-V251 HydrophobicContact CG1-CG2 3.61Å; V189-V254 HydrophobicContact CG2-CG1 3.87Å; V189-V254 HydrophobicContact CG2-CG2 4.07Å
190	R	98.8	Very high	98.7	Very high	70 Å²	70	44.1 Å²	44.1	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-45.8	177.1	-177.1	-85.1	-173.9	-148.2	-7.2	112.3	R125 L128 D129 L132 L186 K187 R188	R125-R190 HydrophobicContact CG-CG 4.45Å; L128-R190 HydrophobicContact CB-CB 4.06Å; L128-R190 HydrophobicContact CB-CG 4.08Å; L128-R190 HydrophobicContact CD1-CB 3.94Å; D129-R190 IonicContact OD1-CZ 3.76Å; D129-R190 IonicContact OD1-NE 3.8Å; D129-R190 PolarHBondContact OD1-NE 2.9Å; D129-R190 IonicContact OD1-NH2 2.98Å; D129-R190 PolarHBondContact OD1-NH2 3.04Å; D129-R190 IonicContact OD2-CZ 2.64Å; D129-R190 IonicContact OD2-NE 3.12Å; D129-R190 PolarHBondContact OD2-NE 3.34Å; D129-R190 IonicContact OD2-NH2 2.65Å; D129-R190 PolarHBondContact OD2-NH2 3.11Å; L132-R190 HydrophobicContact CD1-CB 4.39Å; L132-R190 HydrophobicContact CD1-CG 4.26Å; L186-R190 VanDerWaalsContact O-CB 3.27Å; L186-R190 WeakPolarHBondContact O-CB 3.39Å; L186-R190 PolarHBondContact O-N 3.29Å; K187-R190 PolarHBondContact O-N 3.44Å; R188-R190 VanDerWaalsContact C-N 3.28Å; R188-R190 PolarHBondContact O-N 3.43Å
191	D	98.7	Very high	98.5	Very high	66 Å²	66	45.8 Å²	45.8	35%	0.353	22%	0.216	S	C	.	.	H	α-helix	trans	-73.8	-33.7	-176.6	-71	-18.1	0	0	0	112.9	K187 R188 L193	K187-D191 IonicContact NZ-OD1 2.88Å; K187-D191 PolarHBondContact NZ-OD1 3.11Å; K187-D191 IonicContact NZ-OD2 3.88Å; K187-D191 PolarHBondContact NZ-OD2 3.36Å; K187-D191 WeakPolarHBondContact O-CB 3.31Å; K187-D191 VanDerWaalsContact O-CG 3.26Å; K187-D191 PolarHBondContact O-N 3.06Å; R188-D191 PolarHBondContact O-N 3.39Å; D191-L193 VanDerWaalsContact C-N 3.33Å
192	D	98.8	Very high	98.5	Very high	99 Å²	99	45.8 Å²	45.8	53%	0.529	22%	0.222	S	C	.	.	H	α-helix	trans	-81.7	-13.9	-178.8	-69.9	-21.2	0	0	0	112.9	R188 R194	R188-D192 VanDerWaalsContact CG-OD2 3.27Å; R188-D192 WeakPolarHBondContact CG-OD2 3.43Å; R188-D192 WeakPolarHBondContact O-CB 3.33Å; R188-D192 VanDerWaalsContact O-CG 3.31Å; R188-D192 PolarHBondContact O-N 3.25Å; D192-R194 WeakPolarHBondContact O-CG 3.42Å; D192-R194 PolarHBondContact O-N 2.89Å
193	L	98.6	Very high	98.5	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.089	23%	0.228	C	C	.	.			trans	-58.1	122.5	-179.8	-159.9	72.2	0	0	0	110.5	L121 L124 R125 V189 D191 F232 V247	L121-L193 HydrophobicContact CD2-CD1 4.04Å; L121-L193 HydrophobicContact CD2-CD2 4.37Å; L121-L193 HydrophobicContact CD2-CG 4.18Å; L121-L193 WeakPolarHBondContact O-CD2 3.44Å; L124-L193 HydrophobicContact CB-CD2 4.31Å; R125-L193 HydrophobicContact CB-CD2 3.94Å; V189-L193 PolarHBondContact O-N 2.86Å; V189-L193 VanDerWaalsContact O-N 3.16Å; D191-L193 VanDerWaalsContact C-N 3.33Å; L193-F232 HydrophobicContact CB-CE1 4.34Å; L193-F232 HydrophobicContact CD2-CE1 4.02Å; L193-F232 HydrophobicContact CD2-CZ 4.29Å; L193-F232 HydrophobicContact CG-CE1 4.14Å; L193-F232 WeakPolarHBondContact O-CD1 3.27Å; L193-V247 HydrophobicContact CD1-CG1 3.49Å; L193-V247 VanDerWaalsContact CD1-CG1 3.49Å
194	R	98.9	Very high	98.4	Very high	94 Å²	94	48.4 Å²	48.4	36%	0.355	24%	0.243	S	C	.	.			trans	-105.2	150.8	179.9	-54	-175.7	-167.9	170.2	5.5	110.9	D192 R234 F236	D192-R194 WeakPolarHBondContact O-CG 3.42Å; D192-R194 PolarHBondContact O-N 2.89Å; R194-R234 WeakPolarHBondContact CA-O 3.49Å; R194-R234 WeakPolarHBondContact CB-O 3.36Å; R194-R234 HydrophobicContact CG-CB 4.48Å; R194-F236 HydrophobicContact CB-CD2 3.85Å; R194-F236 HydrophobicContact CB-CE1 4.37Å; R194-F236 HydrophobicContact CB-CE2 3.66Å; R194-F236 HydrophobicContact CB-CG 4.3Å; R194-F236 HydrophobicContact CB-CZ 3.93Å; R194-F236 HydrophobicContact CG-CZ 4.45Å
195	F	98.9	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-77.4	149.7	175.3	-154.6	-127.1	0	0	0	111.6	L42 N118 I122 G197 V226 T227 A230 F232 R234 A235 F236	L42-F195 HydrophobicContact CD2-CZ 3.82Å; N118-F195 HydrophobicContact CB-CD2 4.44Å; N118-F195 HydrophobicContact CB-CE1 4.24Å; N118-F195 HydrophobicContact CB-CE2 3.52Å; N118-F195 HydrophobicContact CB-CZ 3.42Å; N118-F195 VanDerWaalsContact CB-CZ 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.43Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.29Å; N118-F195 VanDerWaalsContact OD1-CE1 3.28Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.42Å; N118-F195 VanDerWaalsContact OD1-CE2 3.25Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.48Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.26Å; I122-F195 HydrophobicContact CD1-CE2 4.26Å; I122-F195 HydrophobicContact CG1-CE2 4.27Å; F195-G197 VanDerWaalsContact CD1-N 3.32Å; F195-V226 HydrophobicContact CE1-CG2 4.41Å; F195-T227 HydrophobicContact CB-CG2 3.94Å; F195-T227 HydrophobicContact CD1-CG2 4.4Å; F195-A230 HydrophobicContact CD2-CB 4.3Å; F195-A230 HydrophobicContact CE1-CB 3.97Å; F195-A230 HydrophobicContact CE2-CB 3.7Å; F195-A230 HydrophobicContact CZ-CB 3.49Å; F195-A230 VanDerWaalsContact CZ-CB 3.49Å; F195-F232 HydrophobicContact CB-CB 3.78Å; F195-F232 HydrophobicContact CB-CD1 4.09Å; F195-F232 HydrophobicContact CB-CD2 4.16Å; F195-F232 HydrophobicContact CB-CG 3.75Å; F195-F232 HydrophobicContact CD2-CD1 4.42Å; F195-F232 AromaticContact CD2-CD2 3.39Å; F195-F232 HydrophobicContact CD2-CD2 3.39Å; F195-F232 AromaticContact CD2-CE2 3.54Å; F195-F232 HydrophobicContact CD2-CE2 3.54Å; F195-F232 AromaticContact CD2-CG 3.88Å; F195-F232 HydrophobicContact CD2-CG 3.88Å; F195-F232 HydrophobicContact CD2-CZ 4.13Å; F195-F232 AromaticContact CE2-CD2 3.97Å; F195-F232 HydrophobicContact CE2-CD2 3.97Å; F195-F232 AromaticContact CE2-CE2 3.94Å; F195-F232 HydrophobicContact CE2-CE2 3.94Å; F195-F232 HydrophobicContact CG-CB 4.32Å; F195-F232 AromaticContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CG 4.11Å; F195-R234 PolarHBondContact N-O 3.46Å; F195-A235 HydrophobicContact CB-CB 4.42Å; F195-A235 CarbonylContact O-C 3.6Å; F195-A235 WeakPolarHBondContact O-CA 3.32Å; F195-F236 WeakPolarHBondContact O-CD2 3.49Å; F195-F236 PolarHBondContact O-N 2.81Å
196	R	98.9	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.229	C	C	.	.			trans	-73.9	-46.2	170	175.2	-169.3	176.1	-82.6	3.5	110	N118 L121 K199 G200 Q241	N118-R196 VanDerWaalsContact OD1-CB 3.31Å; N118-R196 WeakPolarHBondContact OD1-CB 3.39Å; N118-R196 PolarHBondContact OD1-N 3.19Å; L121-R196 HydrophobicContact CD1-CB 4.07Å; R196-K199 HydrophobicContact CG-CG 4.24Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.2Å; R196-K199 PolarHBondContact O-NZ 3.37Å; R196-G200 PolarHBondContact NH2-O 3.46Å; R196-Q241 VanDerWaalsContact CZ-O 3.22Å; R196-Q241 PolarHBondContact NE-O 3.06Å; R196-Q241 PolarHBondContact NH2-O 2.99Å
197	G	98.7	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.			trans	73.8	-149.3	-177	0	0	0	0	0	113.1	N118 F195 D223	N118-G197 PolarHBondContact ND2-O 2.89Å; N118-G197 VanDerWaalsContact ND2-O 3.1Å; N118-G197 PolarHBondContact OD1-N 3.48Å; F195-G197 VanDerWaalsContact CD1-N 3.32Å; G197-D223 VanDerWaalsContact CA-OD1 3.22Å; G197-D223 WeakPolarHBondContact CA-OD1 3.37Å
198	V	98.6	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-99.1	105.5	178.5	-74.1	0	0	0	0	110.7	L46 Y114 Q205 F208 L222 D223 V226	L46-V198 HydrophobicContact CD1-CG1 3.77Å; Y114-V198 HydrophobicContact CD2-CG1 3.75Å; Y114-V198 HydrophobicContact CE2-CG1 3.57Å; V198-Q205 WeakPolarHBondContact O-CG 3.43Å; V198-Q205 PolarHBondContact O-NE2 3.1Å; V198-F208 HydrophobicContact CB-CD2 4.07Å; V198-F208 HydrophobicContact CB-CE2 3.59Å; V198-F208 HydrophobicContact CB-CZ 3.82Å; V198-F208 HydrophobicContact CG1-CE1 4.27Å; V198-F208 HydrophobicContact CG1-CE2 4Å; V198-F208 HydrophobicContact CG1-CZ 3.69Å; V198-L222 HydrophobicContact CB-CD2 4.46Å; V198-L222 HydrophobicContact CG1-CD2 4.27Å; V198-L222 HydrophobicContact CG1-CG 4.37Å; V198-L222 HydrophobicContact CG2-CB 4.23Å; V198-L222 HydrophobicContact CG2-CD2 3.96Å; V198-L222 HydrophobicContact CG2-CG 3.8Å; V198-D223 VanDerWaalsContact CG2-CA 3.42Å; V198-D223 HydrophobicContact CG2-CB 3.68Å; V198-D223 PolarHBondContact N-OD1 2.65Å; V198-V226 HydrophobicContact CG1-CG2 4.23Å
199	K	98.6	Very high	98.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	22%	0.215	C	C	.	.			trans	-122.1	-3.8	-171.7	-64.5	-64.6	-171	-65.7	0	115.6	R196 G203 T204 Q205 D223 F236 T239	R196-K199 HydrophobicContact CG-CG 4.24Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.2Å; R196-K199 PolarHBondContact O-NZ 3.37Å; K199-G203 CarbonylContact O-C 3.53Å; K199-G203 WeakPolarHBondContact O-CA 3.35Å; K199-G203 PolarHBondContact O-N 3.42Å; K199-T204 PolarHBondContact O-N 3.38Å; K199-Q205 HydrophobicContact CD-CG 4.28Å; K199-Q205 PolarHBondContact O-N 3.46Å; K199-D223 IonicContact NZ-OD1 3.48Å; K199-D223 PolarHBondContact NZ-OD1 3.32Å; K199-D223 IonicContact NZ-OD2 3.62Å; K199-D223 PolarHBondContact NZ-OD2 3Å; K199-F236 WeakPolarHBondContact CE-O 3.43Å; K199-F236 PolarHBondContact NZ-O 3.11Å; K199-T239 WeakPolarHBondContact CB-OG1 3.38Å; K199-T239 HydrophobicContact CG-CG2 4.22Å; K199-T239 VanDerWaalsContact CG-OG1 3.32Å; K199-T239 WeakPolarHBondContact CG-OG1 3.1Å
200	G	96.8	Very high	98.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	25%	0.248	C	C	.	.			trans	64.5	-177.8	-171.7	0	0	0	0	0	112.5	T111 R196 T202	T111-G200 WeakPolarHBondContact CG2-O 3.43Å; R196-G200 PolarHBondContact NH2-O 3.46Å; G200-T202 PolarHBondContact O-N 3.45Å
201	T	95.5	Very high	98.3	Very high	79 Å²	79	44.9 Å²	44.9	49%	0.485	25%	0.248	S	C	.	.	S	Bend	trans	-68.5	-32.3	-170	-56.1	0	0	0	0	113.2	Q241	T201-Q241 VanDerWaalsContact O-CA 3.32Å; T201-Q241 WeakPolarHBondContact O-CA 3.39Å; T201-Q241 WeakPolarHBondContact O-CB 3.26Å; T201-Q241 WeakPolarHBondContact O-CG 3.22Å
202	T	97.8	Very high	98.2	Very high	95 Å²	95	42.3 Å²	42.3	58%	0.583	23%	0.234	S	C	*	.	S	Bend	trans	-120.6	13.3	-175.7	50.6	0	0	0	0	113.1	G200 T204	G200-T202 PolarHBondContact O-N 3.45Å; T202-T204 VanDerWaalsContact C-N 3.33Å
203	G	97.9	Very high	98.2	Very high	14 Å²	14	46.8 Å²	46.8	14%	0.144	25%	0.252	C	S	.	.	S	Bend	trans	88.2	-4.7	178.8	0	0	0	0	0	115.2	K199 T239 G240	K199-G203 CarbonylContact O-C 3.53Å; K199-G203 WeakPolarHBondContact O-CA 3.35Å; K199-G203 PolarHBondContact O-N 3.42Å; G203-T239 WeakPolarHBondContact CA-O 3.34Å; G203-G240 WeakPolarHBondContact CA-O 3.48Å; G203-G240 PolarHBondContact N-O 3.05Å
204	T	98.3	Very high	98.2	Very high	91 Å²	91	48 Å²	48	56%	0.558	27%	0.268	S	S	*	.	S	Bend	trans	-90.3	-4.7	-174.2	63.1	0	0	0	0	114.4	K199 T202 A206	K199-T204 PolarHBondContact O-N 3.38Å; T202-T204 VanDerWaalsContact C-N 3.33Å; T204-A206 PolarHBondContact O-N 2.99Å
205	Q	98.5	Very high	98.2	Very high	42 Å²	42	46.6 Å²	46.6	20%	0.196	27%	0.268	C	S	.	.			trans	58.6	13.2	-178.2	-60.3	168.3	-55.8	0	0	115.5	V198 K199 S207 F208 L209 V219	V198-Q205 WeakPolarHBondContact O-CG 3.43Å; V198-Q205 PolarHBondContact O-NE2 3.1Å; K199-Q205 HydrophobicContact CD-CG 4.28Å; K199-Q205 PolarHBondContact O-N 3.46Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 2.63Å; Q205-S207 VanDerWaalsContact O-N 3.1Å; Q205-F208 PolarHBondContact O-N 3.38Å; Q205-L209 PolarHBondContact O-N 3.45Å; Q205-V219 HydrophobicContact CB-CG1 3.7Å; Q205-V219 HydrophobicContact CG-CG1 4.12Å
206	A	98.3	Very high	98.2	Very high	44 Å²	44	51.6 Å²	51.6	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-54.9	-36.4	-172.4	0	0	0	0	0	114.4	T204 L209 Q210	T204-A206 PolarHBondContact O-N 2.99Å; A206-L209 PolarHBondContact O-N 3.16Å; A206-Q210 WeakPolarHBondContact O-CB 3.26Å; A206-Q210 VanDerWaalsContact O-CG 3.3Å; A206-Q210 WeakPolarHBondContact O-CG 3.15Å; A206-Q210 PolarHBondContact O-N 2.92Å
207	S	98.2	Very high	98.2	Very high	36 Å²	36	57 Å²	57	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-40.6	176.1	49.5	0	0	0	0	112.6	G109 Q205 L211	G109-S207 VanDerWaalsContact O-CB 3.26Å; G109-S207 WeakPolarHBondContact O-CB 3.47Å; G109-S207 PolarHBondContact O-OG 2.88Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 2.63Å; Q205-S207 VanDerWaalsContact O-N 3.1Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 VanDerWaalsContact O-N 3.14Å
208	F	98.5	Very high	98.2	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-73.4	-38.3	175.8	-65.1	-70.8	0	0	0	111.6	L46 G109 A110 V198 Q205 Q210 L211 F212 V219 L222	L46-F208 HydrophobicContact CD1-CE1 4.16Å; L46-F208 HydrophobicContact CD1-CZ 4.45Å; G109-F208 VanDerWaalsContact C-CZ 3.44Å; G109-F208 WeakPolarHBondContact O-CE2 3.46Å; G109-F208 WeakPolarHBondContact O-CZ 3.45Å; A110-F208 HydrophobicContact CB-CZ 3.95Å; V198-F208 HydrophobicContact CB-CD2 4.07Å; V198-F208 HydrophobicContact CB-CE2 3.59Å; V198-F208 HydrophobicContact CB-CZ 3.82Å; V198-F208 HydrophobicContact CG1-CE1 4.27Å; V198-F208 HydrophobicContact CG1-CE2 4Å; V198-F208 HydrophobicContact CG1-CZ 3.69Å; Q205-F208 PolarHBondContact O-N 3.38Å; F208-Q210 VanDerWaalsContact C-N 3.27Å; F208-Q210 PolarHBondContact O-N 3.33Å; F208-L211 HydrophobicContact CD1-CD1 4.24Å; F208-L211 WeakPolarHBondContact O-CB 3.41Å; F208-L211 PolarHBondContact O-N 3.21Å; F208-L211 VanDerWaalsContact O-N 3.14Å; F208-F212 WeakPolarHBondContact O-CD2 3.1Å; F208-F212 PolarHBondContact O-N 2.84Å; F208-V219 HydrophobicContact CB-CG1 4.31Å; F208-V219 HydrophobicContact CB-CG2 4.22Å; F208-L222 HydrophobicContact CD1-CD2 3.46Å; F208-L222 VanDerWaalsContact CD1-CD2 3.46Å; F208-L222 HydrophobicContact CE1-CD2 3.73Å; F208-L222 HydrophobicContact CG-CD2 4.1Å
209	L	98.5	Very high	98.2	Very high	55 Å²	55	60.4 Å²	60.4	29%	0.288	34%	0.335	S	S	.	.	H	α-helix	trans	-59.6	-40.6	174.9	-173	66	0	0	0	111.4	Q205 A206 F212 E213 G214 V219	Q205-L209 PolarHBondContact O-N 3.45Å; A206-L209 PolarHBondContact O-N 3.16Å; L209-F212 CarbonylContact O-C 3.05Å; L209-F212 PolarHBondContact O-N 3.45Å; L209-E213 PolarHBondContact O-N 2.93Å; L209-G214 PolarHBondContact O-N 3.27Å; L209-V219 HydrophobicContact CB-CG2 4.2Å; L209-V219 HydrophobicContact CD1-CG2 4.11Å
210	Q	98.4	Very high	98.2	Very high	155 Å²	155	66.4 Å²	66.4	72%	0.724	36%	0.363	S	S	*	.	H	α-helix	trans	-64.7	-42.6	173.8	-74.9	172.8	-16.3	0	0	112.4	A206 F208 F212 E213	A206-Q210 WeakPolarHBondContact O-CB 3.26Å; A206-Q210 VanDerWaalsContact O-CG 3.3Å; A206-Q210 WeakPolarHBondContact O-CG 3.15Å; A206-Q210 PolarHBondContact O-N 2.92Å; F208-Q210 VanDerWaalsContact C-N 3.27Å; F208-Q210 PolarHBondContact O-N 3.33Å; Q210-F212 PolarHBondContact O-N 3.33Å; Q210-E213 PolarHBondContact O-N 3.49Å; Q210-E213 VanDerWaalsContact O-N 3.16Å
211	L	97.9	Very high	98.3	Very high	51 Å²	51	69.9 Å²	69.9	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-33.2	176.6	-77	171.1	0	0	0	112.9	L55 L108 S207 F208	L55-L211 HydrophobicContact CD1-CB 4.49Å; L108-L211 HydrophobicContact CD1-CD2 4.08Å; L108-L211 HydrophobicContact CD2-CD2 4.43Å; L108-L211 HydrophobicContact CG-CD1 3.96Å; L108-L211 HydrophobicContact CG-CD2 4.16Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 VanDerWaalsContact O-N 3.14Å; F208-L211 HydrophobicContact CD1-CD1 4.24Å; F208-L211 WeakPolarHBondContact O-CB 3.41Å; F208-L211 PolarHBondContact O-N 3.21Å; F208-L211 VanDerWaalsContact O-N 3.14Å
212	F	98.6	Very high	98.4	Very high	12 Å²	12	66.1 Å²	66.1	5%	0.053	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	22.3	177.1	-63.1	-60.8	0	0	0	113.3	L53 L55 F208 L209 Q210 G214 D215 K218 V219 L222	L53-F212 HydrophobicContact CB-CE1 3.75Å; L53-F212 HydrophobicContact CB-CZ 4.03Å; L53-F212 HydrophobicContact CD1-CE1 4.43Å; L53-F212 HydrophobicContact CD1-CZ 3.89Å; L55-F212 HydrophobicContact CD1-CE1 3.75Å; L55-F212 HydrophobicContact CD1-CZ 3.89Å; L55-F212 HydrophobicContact CD2-CD1 4.41Å; L55-F212 HydrophobicContact CD2-CE1 4.28Å; L55-F212 HydrophobicContact CG-CD1 4.31Å; L55-F212 HydrophobicContact CG-CE1 3.7Å; L55-F212 HydrophobicContact CG-CZ 4.33Å; F208-F212 WeakPolarHBondContact O-CD2 3.1Å; F208-F212 PolarHBondContact O-N 2.84Å; L209-F212 CarbonylContact O-C 3.05Å; L209-F212 PolarHBondContact O-N 3.45Å; Q210-F212 PolarHBondContact O-N 3.33Å; F212-G214 PolarHBondContact O-N 2.95Å; F212-G214 VanDerWaalsContact O-N 3.08Å; F212-D215 HydrophobicContact CB-CB 4.29Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.47Å; F212-D215 PolarHBondContact O-N 3.42Å; F212-K218 HydrophobicContact CB-CB 4.04Å; F212-K218 HydrophobicContact CB-CD 4.27Å; F212-K218 HydrophobicContact CD1-CB 3.91Å; F212-K218 HydrophobicContact CD1-CD 3.64Å; F212-K218 HydrophobicContact CD1-CG 4.43Å; F212-K218 HydrophobicContact CD2-CB 3.99Å; F212-K218 HydrophobicContact CE1-CB 4.31Å; F212-K218 HydrophobicContact CE1-CD 4.23Å; F212-K218 HydrophobicContact CE2-CB 4.4Å; F212-K218 HydrophobicContact CG-CB 3.73Å; F212-K218 HydrophobicContact CG-CD 4.12Å; F212-V219 HydrophobicContact CD2-CG2 3.89Å; F212-L222 HydrophobicContact CE2-CB 4.28Å; F212-L222 HydrophobicContact CE2-CD2 3.84Å; F212-L222 HydrophobicContact CZ-CD2 4.21Å
213	E	98.3	Very high	98.5	Very high	192 Å²	192	62.6 Å²	62.6	90%	0.897	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.9	172.4	-58.1	178	-161.7	0	0	114.3	L209 Q210	L209-E213 PolarHBondContact O-N 2.93Å; Q210-E213 PolarHBondContact O-N 3.49Å; Q210-E213 VanDerWaalsContact O-N 3.16Å
214	G	98.2	Very high	98.5	Very high	43 Å²	43	68.1 Å²	68.1	44%	0.443	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	8.1	-179.3	0	0	0	0	0	115.3	L209 F212 D216	L209-G214 PolarHBondContact O-N 3.27Å; F212-G214 PolarHBondContact O-N 2.95Å; F212-G214 VanDerWaalsContact O-N 3.08Å; G214-D216 PolarHBondContact O-N 3.06Å
215	D	98.6	Very high	98.6	Very high	65 Å²	65	65.7 Å²	65.7	35%	0.348	34%	0.336	S	S	.	.			trans	-81.1	94.7	176.7	-171.1	-23.2	0	0	0	111.5	F212 H217 K218 V219	F212-D215 HydrophobicContact CB-CB 4.29Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.47Å; F212-D215 PolarHBondContact O-N 3.42Å; D215-H217 PolarHBondContact O-N 2.76Å; D215-H217 WeakPolarHBondContact OD1-CA 3.45Å; D215-H217 VanDerWaalsContact OD1-CB 3.3Å; D215-H217 WeakPolarHBondContact OD1-CB 3.34Å; D215-H217 PolarHBondContact OD1-N 2.98Å; D215-K218 HydrophobicContact CB-CB 4.31Å; D215-K218 HydrophobicContact CB-CD 4.32Å; D215-K218 HydrophobicContact CB-CG 4.31Å; D215-K218 PolarHBondContact O-N 3.33Å; D215-K218 PolarHBondContact OD1-N 3.12Å; D215-K218 VanDerWaalsContact OD1-N 3.13Å; D215-K218 WeakPolarHBondContact OD2-CG 3.24Å; D215-V219 PolarHBondContact O-N 2.96Å
216	D	98.5	Very high	98.6	Very high	104 Å²	104	63.7 Å²	63.7	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-56.4	-35.2	175.9	-68.2	-73.9	0	0	0	112.5	G214 K218 V219 E220	G214-D216 PolarHBondContact O-N 3.06Å; D216-K218 PolarHBondContact O-N 3.14Å; D216-V219 WeakPolarHBondContact O-CB 3.1Å; D216-V219 PolarHBondContact O-N 3.01Å; D216-E220 PolarHBondContact O-N 3.13Å
217	H	98.6	Very high	98.6	Very high	114 Å²	114	62 Å²	62	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-66.3	-39.9	-176.8	-171.8	55.8	0	0	0	111.5	D215 V219 E220 Q221	D215-H217 PolarHBondContact O-N 2.76Å; D215-H217 WeakPolarHBondContact OD1-CA 3.45Å; D215-H217 VanDerWaalsContact OD1-CB 3.3Å; D215-H217 WeakPolarHBondContact OD1-CB 3.34Å; D215-H217 PolarHBondContact OD1-N 2.98Å; H217-V219 VanDerWaalsContact C-N 3.34Å; H217-E220 PolarHBondContact O-N 2.97Å; H217-Q221 PolarHBondContact CD2-NE2 3.07Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.35Å; H217-Q221 PolarHBondContact NE2-NE2 3.28Å; H217-Q221 WeakPolarHBondContact O-CB 3.4Å; H217-Q221 WeakPolarHBondContact O-CG 3.5Å; H217-Q221 PolarHBondContact O-N 3.44Å
218	K	98.7	Very high	98.6	Very high	68 Å²	68	65.7 Å²	65.7	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-36.9	174.1	-74.8	-173.9	-178.4	-164.8	0	112.5	L53 F212 D215 D216 Q221 L222	L53-K218 WeakPolarHBondContact O-CE 3.36Å; L53-K218 PolarHBondContact O-NZ 3.29Å; F212-K218 HydrophobicContact CB-CB 4.04Å; F212-K218 HydrophobicContact CB-CD 4.27Å; F212-K218 HydrophobicContact CD1-CB 3.91Å; F212-K218 HydrophobicContact CD1-CD 3.64Å; F212-K218 HydrophobicContact CD1-CG 4.43Å; F212-K218 HydrophobicContact CD2-CB 3.99Å; F212-K218 HydrophobicContact CE1-CB 4.31Å; F212-K218 HydrophobicContact CE1-CD 4.23Å; F212-K218 HydrophobicContact CE2-CB 4.4Å; F212-K218 HydrophobicContact CG-CB 3.73Å; F212-K218 HydrophobicContact CG-CD 4.12Å; D215-K218 HydrophobicContact CB-CB 4.31Å; D215-K218 HydrophobicContact CB-CD 4.32Å; D215-K218 HydrophobicContact CB-CG 4.31Å; D215-K218 PolarHBondContact O-N 3.33Å; D215-K218 PolarHBondContact OD1-N 3.12Å; D215-K218 VanDerWaalsContact OD1-N 3.13Å; D215-K218 WeakPolarHBondContact OD2-CG 3.24Å; D216-K218 PolarHBondContact O-N 3.14Å; K218-Q221 PolarHBondContact O-N 3.46Å; K218-L222 WeakPolarHBondContact O-CB 3.49Å; K218-L222 PolarHBondContact O-N 3.18Å
219	V	98.8	Very high	98.6	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.03	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-45.6	175.3	178.4	0	0	0	0	110.7	Q205 F208 L209 F212 D215 D216 H217 L222 D223	Q205-V219 HydrophobicContact CB-CG1 3.7Å; Q205-V219 HydrophobicContact CG-CG1 4.12Å; F208-V219 HydrophobicContact CB-CG1 4.31Å; F208-V219 HydrophobicContact CB-CG2 4.22Å; L209-V219 HydrophobicContact CB-CG2 4.2Å; L209-V219 HydrophobicContact CD1-CG2 4.11Å; F212-V219 HydrophobicContact CD2-CG2 3.89Å; D215-V219 PolarHBondContact O-N 2.96Å; D216-V219 WeakPolarHBondContact O-CB 3.1Å; D216-V219 PolarHBondContact O-N 3.01Å; H217-V219 VanDerWaalsContact C-N 3.34Å; V219-L222 PolarHBondContact O-N 3.08Å; V219-D223 PolarHBondContact O-N 3.45Å; V219-D223 VanDerWaalsContact O-N 3.12Å
220	E	98.8	Very high	98.6	Very high	128 Å²	128	66.8 Å²	66.8	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-41.7	175.8	-71.3	-176.7	-122.4	0	0	112.3	D216 H217 D223 K224	D216-E220 PolarHBondContact O-N 3.13Å; H217-E220 PolarHBondContact O-N 2.97Å; E220-D223 PolarHBondContact O-N 3.5Å; E220-K224 WeakPolarHBondContact O-CB 3.43Å; E220-K224 PolarHBondContact O-N 3.48Å
221	Q	98.8	Very high	98.7	Very high	74 Å²	74	62 Å²	62	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-42.7	175.6	-74.8	-169.4	6.9	0	0	111.8	L53 H217 K218 D223 K224 M225	L53-Q221 HydrophobicContact CD1-CB 4.46Å; L53-Q221 HydrophobicContact CD2-CB 3.86Å; H217-Q221 PolarHBondContact CD2-NE2 3.07Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.35Å; H217-Q221 PolarHBondContact NE2-NE2 3.28Å; H217-Q221 WeakPolarHBondContact O-CB 3.4Å; H217-Q221 WeakPolarHBondContact O-CG 3.5Å; H217-Q221 PolarHBondContact O-N 3.44Å; K218-Q221 PolarHBondContact O-N 3.46Å; Q221-D223 VanDerWaalsContact C-N 3.32Å; Q221-D223 PolarHBondContact O-N 3.47Å; Q221-K224 PolarHBondContact O-N 3.42Å; Q221-M225 WeakPolarHBondContact O-CB 3.37Å; Q221-M225 VanDerWaalsContact O-CG 3.23Å; Q221-M225 WeakPolarHBondContact O-CG 3.31Å; Q221-M225 PolarHBondContact O-N 3.36Å
222	L	98.9	Very high	98.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.1	-48.1	176.8	-178.6	63.3	0	0	0	110.6	L46 A49 E50 L53 V198 F208 F212 K218 V219 K224 M225 V226	L46-L222 HydrophobicContact CD1-CD1 4.2Å; L46-L222 HydrophobicContact CD1-CD2 4.24Å; A49-L222 HydrophobicContact CB-CD1 3.55Å; E50-L222 HydrophobicContact CG-CD1 3.88Å; E50-L222 HydrophobicContact CG-CD2 4.28Å; L53-L222 HydrophobicContact CD1-CB 3.59Å; L53-L222 HydrophobicContact CD1-CD1 4Å; L53-L222 HydrophobicContact CD1-CG 4.38Å; V198-L222 HydrophobicContact CB-CD2 4.46Å; V198-L222 HydrophobicContact CG1-CD2 4.27Å; V198-L222 HydrophobicContact CG1-CG 4.37Å; V198-L222 HydrophobicContact CG2-CB 4.23Å; V198-L222 HydrophobicContact CG2-CD2 3.96Å; V198-L222 HydrophobicContact CG2-CG 3.8Å; F208-L222 HydrophobicContact CD1-CD2 3.46Å; F208-L222 VanDerWaalsContact CD1-CD2 3.46Å; F208-L222 HydrophobicContact CE1-CD2 3.73Å; F208-L222 HydrophobicContact CG-CD2 4.1Å; F212-L222 HydrophobicContact CE2-CB 4.28Å; F212-L222 HydrophobicContact CE2-CD2 3.84Å; F212-L222 HydrophobicContact CZ-CD2 4.21Å; K218-L222 WeakPolarHBondContact O-CB 3.49Å; K218-L222 PolarHBondContact O-N 3.18Å; V219-L222 PolarHBondContact O-N 3.08Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 3.26Å; L222-M225 PolarHBondContact O-N 3.4Å; L222-V226 HydrophobicContact CD1-CG1 4.33Å; L222-V226 WeakPolarHBondContact O-CG2 3.16Å; L222-V226 PolarHBondContact O-N 3.4Å
223	D	98.9	Very high	98.7	Very high	20 Å²	20	69.1 Å²	69.1	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-43	178.9	-164	45.3	0	0	0	112.4	G197 V198 K199 V219 E220 Q221 V226 T227	G197-D223 VanDerWaalsContact CA-OD1 3.22Å; G197-D223 WeakPolarHBondContact CA-OD1 3.37Å; V198-D223 VanDerWaalsContact CG2-CA 3.42Å; V198-D223 HydrophobicContact CG2-CB 3.68Å; V198-D223 PolarHBondContact N-OD1 2.65Å; K199-D223 IonicContact NZ-OD1 3.48Å; K199-D223 PolarHBondContact NZ-OD1 3.32Å; K199-D223 IonicContact NZ-OD2 3.62Å; K199-D223 PolarHBondContact NZ-OD2 3Å; V219-D223 PolarHBondContact O-N 3.45Å; V219-D223 VanDerWaalsContact O-N 3.12Å; E220-D223 PolarHBondContact O-N 3.5Å; Q221-D223 VanDerWaalsContact C-N 3.32Å; Q221-D223 PolarHBondContact O-N 3.47Å; D223-V226 WeakPolarHBondContact O-CG2 3.46Å; D223-T227 VanDerWaalsContact O-CB 3.29Å; D223-T227 WeakPolarHBondContact O-CB 3.47Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 PolarHBondContact O-OG1 2.95Å
224	K	98.9	Very high	98.7	Very high	130 Å²	130	66.9 Å²	66.9	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-63.8	-48.1	176	-176.6	178.9	173.5	-175.4	0	111.8	E220 Q221 L222 V226 T227 E228	E220-K224 WeakPolarHBondContact O-CB 3.43Å; E220-K224 PolarHBondContact O-N 3.48Å; Q221-K224 PolarHBondContact O-N 3.42Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 3.26Å; K224-V226 PolarHBondContact O-N 3.35Å; K224-T227 WeakPolarHBondContact O-CB 3.45Å; K224-T227 PolarHBondContact O-N 3.05Å; K224-E228 WeakPolarHBondContact CE-OE1 3.44Å; K224-E228 WeakPolarHBondContact O-CG 3.14Å; K224-E228 PolarHBondContact O-N 3.49Å
225	M	98.9	Very high	98.7	Very high	41 Å²	41	65.6 Å²	65.6	20%	0.202	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-46.3	-177.1	-72.8	177.5	74.2	0	0	112.4	A49 T52 L53 Q221 L222 T227 E228 K229	A49-M225 HydrophobicContact CB-CB 3.94Å; A49-M225 HydrophobicContact CB-CE 3.97Å; A49-M225 HydrophobicContact CB-SD 4.22Å; T52-M225 HydrophobicContact CG2-CE 3.77Å; L53-M225 HydrophobicContact CD1-SD 4.33Å; L53-M225 HydrophobicContact CD2-SD 4.29Å; L53-M225 HydrophobicContact CG-SD 4.21Å; Q221-M225 WeakPolarHBondContact O-CB 3.37Å; Q221-M225 VanDerWaalsContact O-CG 3.23Å; Q221-M225 WeakPolarHBondContact O-CG 3.31Å; Q221-M225 PolarHBondContact O-N 3.36Å; L222-M225 PolarHBondContact O-N 3.4Å; M225-T227 VanDerWaalsContact C-N 3.27Å; M225-T227 PolarHBondContact O-N 2.86Å; M225-E228 PolarHBondContact O-N 3.3Å; M225-K229 WeakPolarHBondContact O-CB 3.45Å; M225-K229 WeakPolarHBondContact O-CG 3.34Å; M225-K229 PolarHBondContact O-N 3.33Å
226	V	98.9	Very high	98.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-31.9	178.3	-59.8	0	0	0	0	111.8	L46 A49 F195 V198 L222 D223 K224 A230	L46-V226 HydrophobicContact CD1-CG1 4.46Å; A49-V226 HydrophobicContact CB-CG1 4.19Å; F195-V226 HydrophobicContact CE1-CG2 4.41Å; V198-V226 HydrophobicContact CG1-CG2 4.23Å; L222-V226 HydrophobicContact CD1-CG1 4.33Å; L222-V226 WeakPolarHBondContact O-CG2 3.16Å; L222-V226 PolarHBondContact O-N 3.4Å; D223-V226 WeakPolarHBondContact O-CG2 3.46Å; K224-V226 PolarHBondContact O-N 3.35Å; V226-A230 WeakPolarHBondContact O-CB 3.38Å; V226-A230 PolarHBondContact O-N 3.45Å; V226-A230 VanDerWaalsContact O-N 3.07Å
227	T	98.9	Very high	98.7	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.043	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-45.9	175.9	-62.6	0	0	0	0	111.4	F195 D223 K224 M225 A230 G231 F232 A235	F195-T227 HydrophobicContact CB-CG2 3.94Å; F195-T227 HydrophobicContact CD1-CG2 4.4Å; D223-T227 VanDerWaalsContact O-CB 3.29Å; D223-T227 WeakPolarHBondContact O-CB 3.47Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 PolarHBondContact O-OG1 2.95Å; K224-T227 WeakPolarHBondContact O-CB 3.45Å; K224-T227 PolarHBondContact O-N 3.05Å; M225-T227 VanDerWaalsContact C-N 3.27Å; M225-T227 PolarHBondContact O-N 2.86Å; T227-A230 PolarHBondContact O-N 3.03Å; T227-G231 PolarHBondContact O-N 3.13Å; T227-F232 HydrophobicContact CG2-CB 3.84Å; T227-F232 PolarHBondContact O-N 3.34Å; T227-F232 VanDerWaalsContact O-N 3.09Å; T227-A235 HydrophobicContact CG2-CB 4.04Å; T227-A235 WeakPolarHBondContact OG1-CB 3.39Å
228	E	98.8	Very high	98.7	Very high	114 Å²	114	66.8 Å²	66.8	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-44.8	177	-72.8	176.1	-178.5	0	0	111.6	K224 M225 A230 G231	K224-E228 WeakPolarHBondContact CE-OE1 3.44Å; K224-E228 WeakPolarHBondContact O-CG 3.14Å; K224-E228 PolarHBondContact O-N 3.49Å; M225-E228 PolarHBondContact O-N 3.3Å; E228-A230 PolarHBondContact O-N 2.96Å; E228-G231 WeakPolarHBondContact O-CA 3.3Å; E228-G231 PolarHBondContact O-N 3.34Å
229	K	98.8	Very high	98.7	Very high	75 Å²	75	64.4 Å²	64.4	33%	0.326	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-35.7	175.1	-75	173.9	179.1	-76.3	0	112.4	W45 E48 M225 G231	W45-K229 HydrophobicContact CB-CB 4.2Å; W45-K229 HydrophobicContact CB-CD 3.78Å; W45-K229 HydrophobicContact CD2-CB 3.85Å; W45-K229 HydrophobicContact CE3-CB 4.41Å; W45-K229 HydrophobicContact CG-CB 3.75Å; W45-K229 HydrophobicContact CG-CD 3.9Å; W45-K229 HydrophobicContact CG-CG 4.37Å; W45-K229 WeakPolarHBondContact CZ2-O 3.3Å; E48-K229 IonicContact OE2-NZ 2.75Å; E48-K229 PolarHBondContact OE2-NZ 3.31Å; M225-K229 WeakPolarHBondContact O-CB 3.45Å; M225-K229 WeakPolarHBondContact O-CG 3.34Å; M225-K229 PolarHBondContact O-N 3.33Å; K229-G231 PolarHBondContact O-N 2.98Å
230	A	98.7	Very high	98.7	Very high	5 Å²	5	66.1 Å²	66.1	4%	0.041	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-3.1	174.7	0	0	0	0	0	114.3	W45 R125 F195 V226 T227 E228 F232	W45-A230 HydrophobicContact CE3-CB 4.17Å; W45-A230 HydrophobicContact CH2-CB 4.31Å; W45-A230 HydrophobicContact CZ3-CB 3.65Å; R125-A230 PolarHBondContact NH1-O 3.38Å; R125-A230 PolarHBondContact NH2-O 2.96Å; F195-A230 HydrophobicContact CD2-CB 4.3Å; F195-A230 HydrophobicContact CE1-CB 3.97Å; F195-A230 HydrophobicContact CE2-CB 3.7Å; F195-A230 HydrophobicContact CZ-CB 3.49Å; F195-A230 VanDerWaalsContact CZ-CB 3.49Å; V226-A230 WeakPolarHBondContact O-CB 3.38Å; V226-A230 PolarHBondContact O-N 3.45Å; V226-A230 VanDerWaalsContact O-N 3.07Å; T227-A230 PolarHBondContact O-N 3.03Å; E228-A230 PolarHBondContact O-N 2.96Å; A230-F232 VanDerWaalsContact C-N 3.32Å; A230-F232 HydrophobicContact CB-CD2 4.01Å; A230-F232 PolarHBondContact O-N 3.11Å
231	G	98.7	Very high	98.7	Very high	54 Å²	54	64.5 Å²	64.5	56%	0.557	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	21.6	-180	0	0	0	0	0	113.9	R125 T227 E228 K229	R125-G231 VanDerWaalsContact NH1-C 3.32Å; R125-G231 PolarHBondContact NH1-O 2.77Å; R125-G231 VanDerWaalsContact NH1-O 3.09Å; T227-G231 PolarHBondContact O-N 3.13Å; E228-G231 WeakPolarHBondContact O-CA 3.3Å; E228-G231 PolarHBondContact O-N 3.34Å; K229-G231 PolarHBondContact O-N 2.98Å
232	F	98.8	Very high	98.7	Very high	11 Å²	11	62.8 Å²	62.8	5%	0.048	32%	0.321	C	S	.	.			trans	-92.8	138.1	173.2	-80.3	-97.4	0	0	0	110.1	L121 I122 R125 L193 F195 T227 A230 R234	L121-F232 HydrophobicContact CB-CZ 4.14Å; I122-F232 HydrophobicContact CG1-CE2 3.94Å; R125-F232 HydrophobicContact CB-CZ 4.28Å; L193-F232 HydrophobicContact CB-CE1 4.34Å; L193-F232 HydrophobicContact CD2-CE1 4.02Å; L193-F232 HydrophobicContact CD2-CZ 4.29Å; L193-F232 HydrophobicContact CG-CE1 4.14Å; L193-F232 WeakPolarHBondContact O-CD1 3.27Å; F195-F232 HydrophobicContact CB-CB 3.78Å; F195-F232 HydrophobicContact CB-CD1 4.09Å; F195-F232 HydrophobicContact CB-CD2 4.16Å; F195-F232 HydrophobicContact CB-CG 3.75Å; F195-F232 HydrophobicContact CD2-CD1 4.42Å; F195-F232 AromaticContact CD2-CD2 3.39Å; F195-F232 HydrophobicContact CD2-CD2 3.39Å; F195-F232 AromaticContact CD2-CE2 3.54Å; F195-F232 HydrophobicContact CD2-CE2 3.54Å; F195-F232 AromaticContact CD2-CG 3.88Å; F195-F232 HydrophobicContact CD2-CG 3.88Å; F195-F232 HydrophobicContact CD2-CZ 4.13Å; F195-F232 AromaticContact CE2-CD2 3.97Å; F195-F232 HydrophobicContact CE2-CD2 3.97Å; F195-F232 AromaticContact CE2-CE2 3.94Å; F195-F232 HydrophobicContact CE2-CE2 3.94Å; F195-F232 HydrophobicContact CG-CB 4.32Å; F195-F232 AromaticContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CG 4.11Å; T227-F232 HydrophobicContact CG2-CB 3.84Å; T227-F232 PolarHBondContact O-N 3.34Å; T227-F232 VanDerWaalsContact O-N 3.09Å; A230-F232 VanDerWaalsContact C-N 3.32Å; A230-F232 HydrophobicContact CB-CD2 4.01Å; A230-F232 PolarHBondContact O-N 3.11Å; F232-R234 VanDerWaalsContact C-N 3.33Å
233	K	98.1	Very high	98.7	Very high	201 Å²	201	63 Å²	63	87%	0.874	32%	0.322	S	S	*	.	S	Bend	trans	-74.4	-25.8	178.2	-65	-178.5	179.4	178.3	0	112.8
234	R	98.3	Very high	98.7	Very high	145 Å²	145	65.6 Å²	65.6	55%	0.547	34%	0.339	S	S	.	.			trans	-150.8	143.4	-172.3	-162.9	174.6	-177.6	174.9	3.7	111	R194 F195 F232	R194-R234 WeakPolarHBondContact CA-O 3.49Å; R194-R234 WeakPolarHBondContact CB-O 3.36Å; R194-R234 HydrophobicContact CG-CB 4.48Å; F195-R234 PolarHBondContact N-O 3.46Å; F232-R234 VanDerWaalsContact C-N 3.33Å
235	A	98.8	Very high	98.7	Very high	17 Å²	17	64.3 Å²	64.3	14%	0.14	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-102.9	162.5	168.6	0	0	0	0	0	111.7	F195 T227	F195-A235 HydrophobicContact CB-CB 4.42Å; F195-A235 CarbonylContact O-C 3.6Å; F195-A235 WeakPolarHBondContact O-CA 3.32Å; T227-A235 HydrophobicContact CG2-CB 4.04Å; T227-A235 WeakPolarHBondContact OG1-CB 3.39Å
236	F	98.8	Very high	98.7	Very high	29 Å²	29	68.3 Å²	68.3	13%	0.127	35%	0.347	C	S	.	.			trans	-67.5	139.3	163	-72	-77.5	0	0	0	110.1	R194 F195 K199 T239 T244 V247	R194-F236 HydrophobicContact CB-CD2 3.85Å; R194-F236 HydrophobicContact CB-CE1 4.37Å; R194-F236 HydrophobicContact CB-CE2 3.66Å; R194-F236 HydrophobicContact CB-CG 4.3Å; R194-F236 HydrophobicContact CB-CZ 3.93Å; R194-F236 HydrophobicContact CG-CZ 4.45Å; F195-F236 WeakPolarHBondContact O-CD2 3.49Å; F195-F236 PolarHBondContact O-N 2.81Å; K199-F236 WeakPolarHBondContact CE-O 3.43Å; K199-F236 PolarHBondContact NZ-O 3.11Å; F236-T239 HydrophobicContact CB-CG2 3.57Å; F236-T239 HydrophobicContact CG-CG2 4.29Å; F236-T244 HydrophobicContact CE1-CG2 4.32Å; F236-T244 HydrophobicContact CZ-CG2 4.4Å; F236-V247 HydrophobicContact CE2-CG2 4.45Å; F236-V247 HydrophobicContact CZ-CG2 3.85Å
237	I	98.7	Very high	98.7	Very high	132 Å²	132	68.9 Å²	68.9	68%	0.677	35%	0.35	S	S	*	.	S	Bend	trans	-84.3	-50.4	167.6	-61.1	169.6	0	0	0	108.4
238	I	98.7	Very high	98.7	Very high	146 Å²	146	70.4 Å²	70.4	75%	0.749	36%	0.358	S	S	*	.	S	Bend	trans	-99.3	119.7	-177.3	-52	-58.5	0	0	0	109.9
239	T	98.8	Very high	98.7	Very high	19 Å²	19	70 Å²	70	12%	0.117	36%	0.358	C	S	.	.			trans	-138.7	158.4	170	65.2	0	0	0	0	109.3	K199 G203 F236 T242	K199-T239 WeakPolarHBondContact CB-OG1 3.38Å; K199-T239 HydrophobicContact CG-CG2 4.22Å; K199-T239 VanDerWaalsContact CG-OG1 3.32Å; K199-T239 WeakPolarHBondContact CG-OG1 3.1Å; G203-T239 WeakPolarHBondContact CA-O 3.34Å; F236-T239 HydrophobicContact CB-CG2 3.57Å; F236-T239 HydrophobicContact CG-CG2 4.29Å; T239-T242 WeakPolarHBondContact CB-O 3.48Å
240	G	98.3	Very high	98.7	Very high	41 Å²	41	70.5 Å²	70.5	42%	0.423	36%	0.362	S	S	.	.	S	Bend	trans	-82.2	-133.5	154.1	0	0	0	0	0	108.9	G203 T242	G203-G240 WeakPolarHBondContact CA-O 3.48Å; G203-G240 PolarHBondContact N-O 3.05Å; G240-T242 VanDerWaalsContact C-N 3.32Å
241	Q	98.4	Very high	98.7	Very high	93 Å²	93	70.5 Å²	70.5	44%	0.435	36%	0.361	S	S	.	.	S	Bend	trans	-65.2	-36.8	169.9	-173	170.2	52	0	0	112.6	C113 R196 T201	C113-Q241 HydrophobicContact CB-CG 4.25Å; C113-Q241 WeakPolarHBondContact CB-O 3.47Å; R196-Q241 VanDerWaalsContact CZ-O 3.22Å; R196-Q241 PolarHBondContact NE-O 3.06Å; R196-Q241 PolarHBondContact NH2-O 2.99Å; T201-Q241 VanDerWaalsContact O-CA 3.32Å; T201-Q241 WeakPolarHBondContact O-CA 3.39Å; T201-Q241 WeakPolarHBondContact O-CB 3.26Å; T201-Q241 WeakPolarHBondContact O-CG 3.22Å
242	T	98.8	Very high	98.7	Very high	38 Å²	38	73.3 Å²	73.3	23%	0.233	36%	0.363	C	S	.	.	S	Bend	trans	-112.7	169.1	-172.1	64.7	0	0	0	0	111.5	D117 T239 G240 R245	D117-T242 WeakPolarHBondContact OD2-CA 3.24Å; D117-T242 WeakPolarHBondContact OD2-CB 3.17Å; T239-T242 WeakPolarHBondContact CB-O 3.48Å; G240-T242 VanDerWaalsContact C-N 3.32Å; T242-R245 VanDerWaalsContact CG2-NH2 3.34Å
243	Y	98.8	Very high	98.7	Very high	5 Å²	5	75.9 Å²	75.9	2%	0.02	38%	0.382	C	S	.	.			trans	-61.7	157.5	155.9	66.8	-95.9	0	0	0	109.9	D117 D120 L121 R245 V247 D248	D117-Y243 HydrophobicContact CB-CD1 3.68Å; D117-Y243 HydrophobicContact CB-CE1 3.86Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.38Å; D117-Y243 PolarHBondContact OD2-N 3.49Å; D120-Y243 HydrophobicContact CB-CE1 4.43Å; L121-Y243 HydrophobicContact CD1-CD1 3.78Å; L121-Y243 HydrophobicContact CD1-CE1 4.34Å; L121-Y243 HydrophobicContact CD1-CG 4.24Å; L121-Y243 HydrophobicContact CD2-CD1 4.08Å; L121-Y243 HydrophobicContact CD2-CD2 4.38Å; L121-Y243 HydrophobicContact CD2-CE1 4.14Å; L121-Y243 HydrophobicContact CD2-CE2 4.45Å; L121-Y243 HydrophobicContact CD2-CG 4.21Å; L121-Y243 HydrophobicContact CG-CD1 3.85Å; L121-Y243 HydrophobicContact CG-CE1 3.92Å; L121-Y243 HydrophobicContact CG-CG 4.42Å; Y243-R245 PolarHBondContact O-N 3.25Å; Y243-R245 PolarHBondContact OH-NH1 3.13Å; Y243-V247 HydrophobicContact CD2-CB 4.03Å; Y243-V247 HydrophobicContact CD2-CG2 4.27Å; Y243-V247 HydrophobicContact CE2-CB 4.16Å; Y243-V247 HydrophobicContact CE2-CG1 4.42Å; Y243-D248 VanDerWaalsContact CE2-OD1 3.3Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.1Å; Y243-D248 PolarHBondContact OH-OD1 3.26Å; Y243-D248 VanDerWaalsContact OH-OD1 3.09Å
244	T	98.8	Very high	98.7	Very high	75 Å²	75	66.8 Å²	66.8	46%	0.46	34%	0.344	S	S	.	.			trans	-66.9	124.6	179.1	178.8	0	0	0	0	110.7	F236 K246 V247	F236-T244 HydrophobicContact CE1-CG2 4.32Å; F236-T244 HydrophobicContact CZ-CG2 4.4Å; T244-K246 HydrophobicContact CG2-CB 4.31Å; T244-K246 PolarHBondContact O-N 3Å; T244-K246 PolarHBondContact OG1-N 3.21Å; T244-V247 HydrophobicContact CG2-CG2 4.01Å; T244-V247 WeakPolarHBondContact O-CB 3.31Å; T244-V247 WeakPolarHBondContact O-CG2 3.37Å; T244-V247 PolarHBondContact O-N 3.07Å
245	R	98.8	Very high	98.8	Very high	103 Å²	103	62.8 Å²	62.8	39%	0.389	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.8	178.3	-57.1	-61.6	172.5	-174.9	-4.9	113.5	D117 T242 Y243 V247 D248 I249	D117-R245 IonicContact OD1-CZ 2.8Å; D117-R245 IonicContact OD1-NH2 2.55Å; D117-R245 PolarHBondContact OD1-NH2 3.34Å; D117-R245 IonicContact OD2-NH2 3.72Å; T242-R245 VanDerWaalsContact CG2-NH2 3.34Å; Y243-R245 PolarHBondContact O-N 3.25Å; Y243-R245 PolarHBondContact OH-NH1 3.13Å; R245-V247 PolarHBondContact O-N 3.18Å; R245-D248 WeakPolarHBondContact CD-OD2 3.41Å; R245-D248 IonicContact NH1-OD2 2.81Å; R245-D248 WeakPolarHBondContact O-CB 3.29Å; R245-D248 PolarHBondContact O-N 3.37Å; R245-D248 VanDerWaalsContact O-N 3.16Å; R245-I249 PolarHBondContact O-N 3.04Å
246	K	98.9	Very high	98.8	Very high	124 Å²	124	65.2 Å²	65.2	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-29.9	164.7	-173.9	174.5	173	62.5	0	112.3	T244 D248 I249 E250	T244-K246 HydrophobicContact CG2-CB 4.31Å; T244-K246 PolarHBondContact O-N 3Å; T244-K246 PolarHBondContact OG1-N 3.21Å; K246-D248 VanDerWaalsContact C-N 3.28Å; K246-D248 PolarHBondContact O-N 2.79Å; K246-I249 WeakPolarHBondContact O-CB 3.34Å; K246-I249 PolarHBondContact O-N 3.37Å; K246-E250 PolarHBondContact O-N 3.46Å
247	V	98.8	Very high	98.8	Very high	12 Å²	12	66.2 Å²	66.2	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-58.3	-43.1	173.4	172.7	0	0	0	0	110.7	L121 L193 F236 Y243 T244 R245 I249 E250 V251	L121-V247 HydrophobicContact CD2-CG1 4.49Å; L193-V247 HydrophobicContact CD1-CG1 3.49Å; L193-V247 VanDerWaalsContact CD1-CG1 3.49Å; F236-V247 HydrophobicContact CE2-CG2 4.45Å; F236-V247 HydrophobicContact CZ-CG2 3.85Å; Y243-V247 HydrophobicContact CD2-CB 4.03Å; Y243-V247 HydrophobicContact CD2-CG2 4.27Å; Y243-V247 HydrophobicContact CE2-CB 4.16Å; Y243-V247 HydrophobicContact CE2-CG1 4.42Å; T244-V247 HydrophobicContact CG2-CG2 4.01Å; T244-V247 WeakPolarHBondContact O-CB 3.31Å; T244-V247 WeakPolarHBondContact O-CG2 3.37Å; T244-V247 PolarHBondContact O-N 3.07Å; R245-V247 PolarHBondContact O-N 3.18Å; V247-I249 VanDerWaalsContact C-N 3.29Å; V247-I249 PolarHBondContact O-N 3.1Å; V247-E250 WeakPolarHBondContact O-CB 3.43Å; V247-E250 PolarHBondContact O-N 3.26Å; V247-E250 VanDerWaalsContact O-N 3.1Å; V247-V251 HydrophobicContact CG1-CG2 4.49Å; V247-V251 WeakPolarHBondContact O-CG2 3.38Å; V247-V251 PolarHBondContact O-N 2.76Å
248	D	98.8	Very high	98.8	Very high	40 Å²	40	61.4 Å²	61.4	21%	0.214	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-38.7	180	-55.5	-28.1	0	0	0	110.9	Y243 R245 K246 V251 L252	Y243-D248 VanDerWaalsContact CE2-OD1 3.3Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.1Å; Y243-D248 PolarHBondContact OH-OD1 3.26Å; Y243-D248 VanDerWaalsContact OH-OD1 3.09Å; R245-D248 WeakPolarHBondContact CD-OD2 3.41Å; R245-D248 IonicContact NH1-OD2 2.81Å; R245-D248 WeakPolarHBondContact O-CB 3.29Å; R245-D248 PolarHBondContact O-N 3.37Å; R245-D248 VanDerWaalsContact O-N 3.16Å; K246-D248 VanDerWaalsContact C-N 3.28Å; K246-D248 PolarHBondContact O-N 2.79Å; D248-V251 PolarHBondContact O-N 3.05Å; D248-L252 WeakPolarHBondContact O-CB 3.16Å; D248-L252 VanDerWaalsContact O-CD1 3.24Å; D248-L252 WeakPolarHBondContact O-CD1 3.24Å; D248-L252 PolarHBondContact O-N 2.94Å
249	I	98.9	Very high	98.8	Very high	105 Å²	105	56.3 Å²	56.3	54%	0.538	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-46.1	173.6	-59.2	174.3	0	0	0	110.3	R245 K246 V247 V251 L252 S253	R245-I249 PolarHBondContact O-N 3.04Å; K246-I249 WeakPolarHBondContact O-CB 3.34Å; K246-I249 PolarHBondContact O-N 3.37Å; V247-I249 VanDerWaalsContact C-N 3.29Å; V247-I249 PolarHBondContact O-N 3.1Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.17Å; I249-L252 PolarHBondContact O-N 3.36Å; I249-S253 WeakPolarHBondContact O-CB 3.48Å; I249-S253 PolarHBondContact O-N 3.01Å; I249-S253 PolarHBondContact O-OG 3.3Å
250	E	98.8	Very high	98.7	Very high	86 Å²	86	58.4 Å²	58.4	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-41.9	179.5	-72.2	179.7	175.2	0	0	111.9	K246 V247 V254	K246-E250 PolarHBondContact O-N 3.46Å; V247-E250 WeakPolarHBondContact O-CB 3.43Å; V247-E250 PolarHBondContact O-N 3.26Å; V247-E250 VanDerWaalsContact O-N 3.1Å; E250-V254 PolarHBondContact O-N 3.25Å
251	V	98.8	Very high	98.7	Very high	5 Å²	5	57 Å²	57	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-52	177.1	176.7	0	0	0	0	111.3	L124 V189 V247 D248 I249 S253 V254 L255	L124-V251 HydrophobicContact CD2-CG1 4.36Å; V189-V251 HydrophobicContact CG1-CB 4.39Å; V189-V251 HydrophobicContact CG1-CG2 3.61Å; V247-V251 HydrophobicContact CG1-CG2 4.49Å; V247-V251 WeakPolarHBondContact O-CG2 3.38Å; V247-V251 PolarHBondContact O-N 2.76Å; D248-V251 PolarHBondContact O-N 3.05Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.17Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 2.95Å; V251-V254 WeakPolarHBondContact O-CG2 3.47Å; V251-V254 PolarHBondContact O-N 3.12Å; V251-L255 HydrophobicContact CG1-CD1 4.38Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.34Å
252	L	98.9	Very high	98.7	Very high	112 Å²	112	55.6 Å²	55.6	59%	0.586	32%	0.323	S	S	*	.	H	α-helix	trans	-70.2	-31.2	-175.6	-87.5	74.5	0	0	0	112	D248 I249 V254 L255 A256	D248-L252 WeakPolarHBondContact O-CB 3.16Å; D248-L252 VanDerWaalsContact O-CD1 3.24Å; D248-L252 WeakPolarHBondContact O-CD1 3.24Å; D248-L252 PolarHBondContact O-N 2.94Å; I249-L252 PolarHBondContact O-N 3.36Å; L252-V254 PolarHBondContact O-N 3.37Å; L252-L255 PolarHBondContact O-N 2.99Å; L252-A256 WeakPolarHBondContact O-CB 3.32Å; L252-A256 PolarHBondContact O-N 3.06Å
253	S	98.9	Very high	98.6	Very high	65 Å²	65	59.6 Å²	59.6	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-40.2	178.9	-64	0	0	0	0	112	I249 V251 L255 A256 S257	I249-S253 WeakPolarHBondContact O-CB 3.48Å; I249-S253 PolarHBondContact O-N 3.01Å; I249-S253 PolarHBondContact O-OG 3.3Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 2.95Å; S253-L255 VanDerWaalsContact C-N 3.34Å; S253-A256 PolarHBondContact O-N 3.33Å; S253-S257 PolarHBondContact O-N 2.77Å
254	V	98.8	Very high	98.5	Very high	10 Å²	10	64.8 Å²	64.8	6%	0.061	36%	0.361	C	S	.	.	H	α-helix	trans	-71.8	-30.3	176.9	-58.8	0	0	0	0	112.2	N185 L186 V189 E250 V251 L252 L258	N185-V254 HydrophobicContact CB-CB 4.11Å; N185-V254 HydrophobicContact CB-CG1 3.79Å; L186-V254 HydrophobicContact CD1-CB 4.06Å; L186-V254 HydrophobicContact CD1-CG2 3.86Å; V189-V254 HydrophobicContact CG2-CG1 3.87Å; V189-V254 HydrophobicContact CG2-CG2 4.07Å; E250-V254 PolarHBondContact O-N 3.25Å; V251-V254 WeakPolarHBondContact O-CG2 3.47Å; V251-V254 PolarHBondContact O-N 3.12Å; L252-V254 PolarHBondContact O-N 3.37Å; V254-L258 PolarHBondContact O-N 3Å
255	L	98.8	Very high	98.2	Very high	62 Å²	62	61.9 Å²	61.9	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-71.7	-36.9	173	-63.4	178.3	0	0	0	112.1	L131 V251 L252 S253 L258 G259	L131-L255 HydrophobicContact CD1-CD2 3.77Å; V251-L255 HydrophobicContact CG1-CD1 4.38Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.34Å; L252-L255 PolarHBondContact O-N 2.99Å; S253-L255 VanDerWaalsContact C-N 3.34Å; L255-L258 PolarHBondContact O-N 3.47Å; L255-G259 PolarHBondContact O-N 2.95Å
256	A	98.8	Very high	97.7	Very high	68 Å²	68	61.9 Å²	61.9	56%	0.562	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-42.6	173.6	0	0	0	0	0	111.6	L252 S253 G259 A260	L252-A256 WeakPolarHBondContact O-CB 3.32Å; L252-A256 PolarHBondContact O-N 3.06Å; S253-A256 PolarHBondContact O-N 3.33Å; A256-G259 WeakPolarHBondContact O-CA 3.42Å; A256-G259 PolarHBondContact O-N 2.86Å; A256-G259 VanDerWaalsContact O-N 3.13Å; A256-A260 PolarHBondContact O-N 2.96Å
257	S	98.8	Very high	96.3	Very high	50 Å²	50	57.7 Å²	57.7	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-56	-49.4	171.7	180	0	0	0	0	111.4	D182 S253 G259 A260 S261	D182-S257 PolarHBondContact OD1-OG 3.47Å; D182-S257 VanDerWaalsContact OD1-OG 3.08Å; S253-S257 PolarHBondContact O-N 2.77Å; S257-G259 VanDerWaalsContact C-N 3.26Å; S257-G259 PolarHBondContact O-N 3.11Å; S257-A260 WeakPolarHBondContact O-CB 3.16Å; S257-A260 PolarHBondContact O-N 3.32Å; S257-S261 PolarHBondContact O-N 2.9Å; S257-S261 PolarHBondContact O-OG 2.79Å
258	L	98.8	Very high	94.4	Very high	31 Å²	31	63.9 Å²	63.9	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-57.5	-40.1	175.1	174.9	62.8	0	0	0	112.1	L135 L179 D182 V254 L255 A260 S261 V262	L135-L258 HydrophobicContact CD1-CD1 4.06Å; L135-L258 HydrophobicContact CD2-CD1 4.39Å; L179-L258 HydrophobicContact CD2-CD1 3.87Å; D182-L258 HydrophobicContact CB-CB 4.23Å; D182-L258 HydrophobicContact CB-CD1 3.88Å; D182-L258 PolarHBondContact OD1-N 3.31Å; D182-L258 WeakPolarHBondContact OD2-CA 3.39Å; V254-L258 PolarHBondContact O-N 3Å; L255-L258 PolarHBondContact O-N 3.47Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 2.91Å; L258-S261 PolarHBondContact O-N 3.04Å; L258-V262 HydrophobicContact CD1-CG2 4.12Å; L258-V262 HydrophobicContact CG-CG2 4.48Å; L258-V262 VanDerWaalsContact O-CG2 3.32Å; L258-V262 WeakPolarHBondContact O-CG2 3.35Å; L258-V262 PolarHBondContact O-N 2.93Å
259	G	98.4	Very high	92.1	Very high	39 Å²	39	73.3 Å²	73.3	40%	0.402	40%	0.404	S	S	.	.	H	α-helix	trans	-57.9	-42.8	173.8	0	0	0	0	0	112.8	L255 A256 S257 V262 H263	L255-G259 PolarHBondContact O-N 2.95Å; A256-G259 WeakPolarHBondContact O-CA 3.42Å; A256-G259 PolarHBondContact O-N 2.86Å; A256-G259 VanDerWaalsContact O-N 3.13Å; S257-G259 VanDerWaalsContact C-N 3.26Å; S257-G259 PolarHBondContact O-N 3.11Å; G259-V262 PolarHBondContact O-N 3.36Å; G259-H263 WeakPolarHBondContact O-CB 3.12Å; G259-H263 PolarHBondContact O-N 2.7Å
260	A	98.5	Very high	89.6	Confident	63 Å²	63	76.5 Å²	76.5	52%	0.521	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-44.3	176	0	0	0	0	0	112.1	A256 S257 L258 V262 H263 K264	A256-A260 PolarHBondContact O-N 2.96Å; S257-A260 WeakPolarHBondContact O-CB 3.16Å; S257-A260 PolarHBondContact O-N 3.32Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 2.91Å; A260-V262 PolarHBondContact O-N 2.87Å; A260-H263 PolarHBondContact O-N 2.94Å; A260-K264 WeakPolarHBondContact O-CB 3.34Å; A260-K264 PolarHBondContact O-N 3.34Å
261	S	98.4	Very high	87	Confident	11 Å²	11	80.1 Å²	80.1	8%	0.077	43%	0.434	C	S	.	.	H	α-helix	trans	-58.5	-46.1	175.9	-54.9	0	0	0	0	112	D182 S257 L258 S265	D182-S261 WeakPolarHBondContact OD2-CB 3.32Å; D182-S261 PolarHBondContact OD2-OG 3.16Å; S257-S261 PolarHBondContact O-N 2.9Å; S257-S261 PolarHBondContact O-OG 2.79Å; L258-S261 PolarHBondContact O-N 3.04Å; S261-S265 VanDerWaalsContact O-CB 3.3Å; S261-S265 WeakPolarHBondContact O-CB 3.49Å; S261-S265 PolarHBondContact O-N 3.26Å; S261-S265 VanDerWaalsContact O-N 3.11Å; S261-S265 PolarHBondContact O-OG 3.1Å
262	V	98.1	Very high	84	Confident	63 Å²	63	85.7 Å²	85.7	38%	0.382	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-45.8	177.6	170.5	0	0	0	0	110.8	L179 L258 G259 A260 S265 F266	L179-V262 HydrophobicContact CD2-CG2 4.4Å; L258-V262 HydrophobicContact CD1-CG2 4.12Å; L258-V262 HydrophobicContact CG-CG2 4.48Å; L258-V262 VanDerWaalsContact O-CG2 3.32Å; L258-V262 WeakPolarHBondContact O-CG2 3.35Å; L258-V262 PolarHBondContact O-N 2.93Å; G259-V262 PolarHBondContact O-N 3.36Å; A260-V262 PolarHBondContact O-N 2.87Å; V262-S265 PolarHBondContact O-N 3.17Å; V262-F266 HydrophobicContact CG1-CD2 4.04Å; V262-F266 WeakPolarHBondContact O-CD2 3.49Å; V262-F266 PolarHBondContact O-N 3.35Å
263	H	97.1	Very high	80.9	Confident	122 Å²	122	93.3 Å²	93.3	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-62.1	-45.5	179.2	-170.6	-74.5	0	0	0	111.9	G259 A260 S265 G267	G259-H263 WeakPolarHBondContact O-CB 3.12Å; G259-H263 PolarHBondContact O-N 2.7Å; A260-H263 PolarHBondContact O-N 2.94Å; H263-S265 VanDerWaalsContact C-N 3.26Å; H263-S265 PolarHBondContact O-N 2.89Å; H263-G267 WeakPolarHBondContact O-CA 3.34Å; H263-G267 PolarHBondContact O-N 3.32Å
264	K	95.6	Very high	80	Confident	114 Å²	114	94.8 Å²	94.8	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-30.4	177.9	179	-94.5	175.7	-67	0	113	A260	A260-K264 WeakPolarHBondContact O-CB 3.34Å; A260-K264 PolarHBondContact O-N 3.34Å
265	S	91.8	Very high	79	Confident	14 Å²	14	99.2 Å²	99.2	10%	0.098	53%	0.532	C	S	.	.	H	α-helix	trans	-86.5	-34.8	-176.2	-58.2	0	0	0	0	112.9	S261 V262 H263	S261-S265 VanDerWaalsContact O-CB 3.3Å; S261-S265 WeakPolarHBondContact O-CB 3.49Å; S261-S265 PolarHBondContact O-N 3.26Å; S261-S265 VanDerWaalsContact O-N 3.11Å; S261-S265 PolarHBondContact O-OG 3.1Å; V262-S265 PolarHBondContact O-N 3.17Å; H263-S265 VanDerWaalsContact C-N 3.26Å; H263-S265 PolarHBondContact O-N 2.89Å
266	F	88.6	Confident	77.9	Confident	103 Å²	103	101.3 Å²	101.3	45%	0.452	54%	0.544	S	S	.	.	H	α-helix	trans	-131.4	-8.8	-169.5	-49	-66.9	0	0	0	114.9	L142 V262	L142-F266 HydrophobicContact CD1-CZ 4.3Å; V262-F266 HydrophobicContact CG1-CD2 4.04Å; V262-F266 WeakPolarHBondContact O-CD2 3.49Å; V262-F266 PolarHBondContact O-N 3.35Å
267	G	70.3	Confident	76.7	Confident	36 Å²	36	103.2 Å²	103.2	37%	0.371	54%	0.543	S	S	.	.			trans	-84.6	-19.8	-170.3	0	0	0	0	0	115.3	H263 R269	H263-G267 WeakPolarHBondContact O-CA 3.34Å; H263-G267 PolarHBondContact O-N 3.32Å; G267-R269 PolarHBondContact O-N 3.13Å
268	N	58.5	Low	75.3	Confident	143 Å²	143	106.6 Å²	106.6	77%	0.765	56%	0.555	S	S	*	*			trans	-78.8	88.4	176.8	-77.3	12.8	0	0	0	110.3
269	R	50.9	Low	73.7	Confident	237 Å²	237	111.6 Å²	111.6	89%	0.894	58%	0.581	S	S	*	*			trans	-102.8	64.3	156.8	-72.5	-173.3	-179.5	-173.6	-0.5	109	G267	G267-R269 PolarHBondContact O-N 3.13Å
270	E	45.7	Very low	72	Confident	173 Å²	173	116.8 Å²	116.8	81%	0.808	59%	0.594	S	S	*	*			trans	-128.9	135.3	159.2	-78.3	-175.1	162.7	0	0	107.4
271	E	45.5	Very low	69.9	Low	161 Å²	161	120.9 Å²	120.9	75%	0.752	60%	0.599	S	S	*	*			trans	84	65.2	178.6	-54.8	-178.2	-177.9	0	0	116.5	F160	F160-E271 WeakPolarHBondContact CE1-OE2 3.43Å
272	S	34.3	Very low	67.6	Low	123 Å²	123	130.1 Å²	130.1	86%	0.86	64%	0.643	S	S	*	*			trans	-129	70	140.4	64	0	0	0	0	108.3
273	E	34.3	Very low	64.8	Low	272 Å²	272	136.2 Å²	136.2	100%	1.271	67%	0.667	S	S	*	*			trans	-104.7	0	150.7	-77.5	-170.8	165.2	0	0	108.1

Retrieved 273 of 273 residues in 1512.5 ms (Link to these results)

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