A0A087YE75_POEFO Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB (A0A3B3TRT3), UniProt , Accession A0A087YE75, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 240 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	47.5	Very low	63	Low	205 Å²	205	102.1 Å²	102.1	100%	1.01	53%	0.529	S	S	*	.				0	-49.8	0	-69.6	-170	-167.2	0	0	111.6	T3 A4	M1-T3 PolarHBondContact O-N 3.42Å; M1-A4 PolarHBondContact O-N 3.5Å
2	A	53.2	Low	63.5	Low	41 Å²	41	102.8 Å²	102.8	34%	0.339	54%	0.535	S	S	.	.	H	α-helix	trans	-57	-45.8	178.3	0	0	0	0	0	113.6	A4 I5 Y6	A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.27Å; A2-I5 PolarHBondContact O-N 3.1Å; A2-Y6 VanDerWaalsContact C-CE2 3.45Å; A2-Y6 HydrophobicContact CB-CD2 4.4Å; A2-Y6 HydrophobicContact CB-CE2 3.6Å; A2-Y6 WeakPolarHBondContact O-CD2 3.43Å; A2-Y6 VanDerWaalsContact O-CE2 3.24Å; A2-Y6 WeakPolarHBondContact O-CE2 3.45Å; A2-Y6 PolarHBondContact O-N 2.89Å
3	T	57	Low	64	Low	113 Å²	113	95.4 Å²	95.4	69%	0.693	50%	0.497	S	S	*	.	H	α-helix	trans	-57.9	-28.4	177.7	41.3	0	0	0	0	115.6	M1 L7	M1-T3 PolarHBondContact O-N 3.42Å; T3-L7 PolarHBondContact O-N 3.28Å
4	A	61.2	Low	64.7	Low	52 Å²	52	91.4 Å²	91.4	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-77.6	-41.3	178.9	0	0	0	0	0	111.6	M1 A2 Y6 L7 E8	M1-A4 PolarHBondContact O-N 3.5Å; A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.27Å; A4-Y6 VanDerWaalsContact C-N 3.29Å; A4-Y6 PolarHBondContact O-N 2.93Å; A4-L7 PolarHBondContact O-N 3.17Å; A4-E8 WeakPolarHBondContact O-CG 3.26Å; A4-E8 PolarHBondContact O-N 3.5Å; A4-E8 VanDerWaalsContact O-N 3.08Å
5	I	66.9	Low	65.6	Low	108 Å²	108	94.2 Å²	94.2	55%	0.554	49%	0.486	S	S	*	.	H	α-helix	trans	-64.6	-34.7	178.2	-61.7	170.7	0	0	0	111	A2 H9	A2-I5 PolarHBondContact O-N 3.1Å; I5-H9 WeakPolarHBondContact O-CB 3.42Å; I5-H9 PolarHBondContact O-N 3.18Å
6	Y	62.8	Low	66.5	Low	71 Å²	71	94.4 Å²	94.4	28%	0.278	49%	0.488	S	S	.	.	H	α-helix	trans	-71	-38.4	178.5	-61.4	-53.6	0	0	0	113.4	A2 A4 E8 H9 Y10 F107 E110	A2-Y6 VanDerWaalsContact C-CE2 3.45Å; A2-Y6 HydrophobicContact CB-CD2 4.4Å; A2-Y6 HydrophobicContact CB-CE2 3.6Å; A2-Y6 WeakPolarHBondContact O-CD2 3.43Å; A2-Y6 VanDerWaalsContact O-CE2 3.24Å; A2-Y6 WeakPolarHBondContact O-CE2 3.45Å; A2-Y6 PolarHBondContact O-N 2.89Å; A4-Y6 VanDerWaalsContact C-N 3.29Å; A4-Y6 PolarHBondContact O-N 2.93Å; Y6-E8 VanDerWaalsContact C-N 3.35Å; Y6-H9 PolarHBondContact O-N 3.03Å; Y6-Y10 WeakPolarHBondContact O-CB 3.43Å; Y6-Y10 PolarHBondContact O-N 3.16Å; Y6-F107 HydrophobicContact CD1-CD1 4.25Å; Y6-F107 AromaticContact CD1-CE1 3.26Å; Y6-F107 HydrophobicContact CD1-CE1 3.26Å; Y6-F107 AromaticContact CD1-CZ 3.92Å; Y6-F107 HydrophobicContact CD1-CZ 3.92Å; Y6-F107 HydrophobicContact CD2-CE1 4.37Å; Y6-F107 HydrophobicContact CE1-CD1 4.35Å; Y6-F107 AromaticContact CE1-CE1 3.69Å; Y6-F107 HydrophobicContact CE1-CE1 3.69Å; Y6-F107 AromaticContact CG-CE1 3.64Å; Y6-F107 HydrophobicContact CG-CE1 3.64Å; Y6-F107 HydrophobicContact CG-CZ 4.15Å; Y6-E110 PolarHBondContact OH-OE2 2.89Å
7	L	66.4	Low	67.6	Low	112 Å²	112	90.4 Å²	90.4	59%	0.586	47%	0.467	S	S	*	.	H	α-helix	trans	-69.7	-37.9	177.4	-130.8	137.6	0	0	0	110.3	T3 A4 Y10 L11	T3-L7 PolarHBondContact O-N 3.28Å; A4-L7 PolarHBondContact O-N 3.17Å; L7-Y10 PolarHBondContact O-N 3.32Å; L7-L11 HydrophobicContact CD2-CD1 3.79Å; L7-L11 HydrophobicContact CD2-CG 4.25Å; L7-L11 VanDerWaalsContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 3.01Å
8	E	68.1	Low	68.8	Low	122 Å²	122	89.5 Å²	89.5	57%	0.57	47%	0.468	S	S	*	.	H	α-helix	trans	-61.7	-45.3	171.7	-74.4	173.8	178	0	0	111.9	A4 Y6 Y10 L11 D12	A4-E8 WeakPolarHBondContact O-CG 3.26Å; A4-E8 PolarHBondContact O-N 3.5Å; A4-E8 VanDerWaalsContact O-N 3.08Å; Y6-E8 VanDerWaalsContact C-N 3.35Å; E8-Y10 PolarHBondContact O-N 3.22Å; E8-L11 PolarHBondContact O-N 3.23Å; E8-D12 WeakPolarHBondContact O-CB 3.49Å; E8-D12 PolarHBondContact O-N 3Å
9	H	67.9	Low	69.8	Low	91 Å²	91	89.3 Å²	89.3	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-34.5	179	-160.2	-105.5	0	0	0	113.2	I5 Y6 S13 D103	I5-H9 WeakPolarHBondContact O-CB 3.42Å; I5-H9 PolarHBondContact O-N 3.18Å; Y6-H9 PolarHBondContact O-N 3.03Å; H9-S13 VanDerWaalsContact O-CB 3.26Å; H9-S13 WeakPolarHBondContact O-CB 3.23Å; H9-S13 PolarHBondContact O-N 3.06Å; H9-S13 VanDerWaalsContact O-N 3.11Å; H9-D103 IonicContact ND1-OD2 3.74Å
10	Y	69.6	Low	70.9	Confident	113 Å²	113	89.2 Å²	89.2	44%	0.443	47%	0.471	S	S	.	.	H	α-helix	trans	-68.5	-44.6	173.2	178.5	-93.2	0	0	0	111.7	Y6 L7 E8 S13 I14 L100	Y6-Y10 WeakPolarHBondContact O-CB 3.43Å; Y6-Y10 PolarHBondContact O-N 3.16Å; L7-Y10 PolarHBondContact O-N 3.32Å; E8-Y10 PolarHBondContact O-N 3.22Å; Y10-S13 PolarHBondContact O-N 2.81Å; Y10-I14 HydrophobicContact CD1-CD1 4.03Å; Y10-I14 HydrophobicContact CD2-CD1 4.15Å; Y10-I14 HydrophobicContact CE1-CD1 3.45Å; Y10-I14 VanDerWaalsContact CE1-CD1 3.45Å; Y10-I14 HydrophobicContact CE2-CD1 3.61Å; Y10-I14 HydrophobicContact CG-CD1 4.35Å; Y10-I14 WeakPolarHBondContact O-CG1 3.47Å; Y10-I14 PolarHBondContact O-N 3.33Å; Y10-I14 WeakPolarHBondContact OH-CD1 3.35Å; Y10-L100 HydrophobicContact CD2-CD2 3.56Å; Y10-L100 HydrophobicContact CE2-CD1 4.48Å; Y10-L100 HydrophobicContact CE2-CD2 3.43Å; Y10-L100 VanDerWaalsContact CE2-CD2 3.43Å
11	L	72.3	Confident	71.9	Confident	95 Å²	95	86.7 Å²	86.7	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-47.2	177.9	-71.5	171.6	0	0	0	111	L7 E8 S13 I14 E15	L7-L11 HydrophobicContact CD2-CD1 3.79Å; L7-L11 HydrophobicContact CD2-CG 4.25Å; L7-L11 VanDerWaalsContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 3.01Å; E8-L11 PolarHBondContact O-N 3.23Å; L11-S13 PolarHBondContact O-N 3.44Å; L11-I14 PolarHBondContact O-N 2.88Å; L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.85Å
12	D	69.6	Low	74.1	Confident	111 Å²	111	83.6 Å²	83.6	59%	0.594	44%	0.44	S	S	*	.	H	α-helix	trans	-58.6	-34.5	174.8	-83.2	1.7	0	0	0	112.1	E8 I14	E8-D12 WeakPolarHBondContact O-CB 3.49Å; E8-D12 PolarHBondContact O-N 3Å; D12-I14 VanDerWaalsContact C-N 3.3Å; D12-I14 PolarHBondContact O-N 3.3Å
13	S	69.5	Low	76.1	Confident	6 Å²	6	89.8 Å²	89.8	4%	0.042	46%	0.455	C	S	.	.	H	α-helix	trans	-74.8	-17.2	178.8	-172	0	0	0	0	113.7	H9 Y10 L11 H96 R99	H9-S13 VanDerWaalsContact O-CB 3.26Å; H9-S13 WeakPolarHBondContact O-CB 3.23Å; H9-S13 PolarHBondContact O-N 3.06Å; H9-S13 VanDerWaalsContact O-N 3.11Å; Y10-S13 PolarHBondContact O-N 2.81Å; L11-S13 PolarHBondContact O-N 3.44Å; S13-H96 PolarHBondContact O-CE1 3.4Å; S13-H96 PolarHBondContact O-ND1 3.12Å; S13-R99 VanDerWaalsContact OG-CD 3.25Å; S13-R99 WeakPolarHBondContact OG-CD 3.39Å; S13-R99 PolarHBondContact OG-NE 2.93Å
14	I	74.4	Confident	77.9	Confident	39 Å²	39	85 Å²	85	20%	0.2	43%	0.425	C	S	.	.	H	α-helix	trans	-114.2	-18.7	-177.2	-61.8	177.4	0	0	0	111.8	Y10 L11 D12 N16 L17 P18 L100	Y10-I14 HydrophobicContact CD1-CD1 4.03Å; Y10-I14 HydrophobicContact CD2-CD1 4.15Å; Y10-I14 HydrophobicContact CE1-CD1 3.45Å; Y10-I14 VanDerWaalsContact CE1-CD1 3.45Å; Y10-I14 HydrophobicContact CE2-CD1 3.61Å; Y10-I14 HydrophobicContact CG-CD1 4.35Å; Y10-I14 WeakPolarHBondContact O-CG1 3.47Å; Y10-I14 PolarHBondContact O-N 3.33Å; Y10-I14 WeakPolarHBondContact OH-CD1 3.35Å; L11-I14 PolarHBondContact O-N 2.88Å; D12-I14 VanDerWaalsContact C-N 3.3Å; D12-I14 PolarHBondContact O-N 3.3Å; I14-N16 PolarHBondContact O-N 3.45Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 2.97Å; I14-P18 WeakPolarHBondContact O-CD 3.26Å; I14-L100 HydrophobicContact CD1-CD1 4.11Å; I14-L100 HydrophobicContact CD1-CD2 4.09Å; I14-L100 HydrophobicContact CG1-CD2 4.38Å
15	E	76.8	Confident	79.6	Confident	134 Å²	134	87.5 Å²	87.5	63%	0.626	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.7	-168.8	-161	171.3	-156.2	0	0	113.9	L11	L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.85Å
16	N	80.3	Confident	81	Confident	97 Å²	97	85.1 Å²	85.1	52%	0.519	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.4	-178.3	-61.8	-43.4	0	0	0	114	I14 C19 E20	I14-N16 PolarHBondContact O-N 3.45Å; N16-C19 PolarHBondContact O-N 2.95Å; N16-E20 WeakPolarHBondContact O-CB 3.5Å; N16-E20 WeakPolarHBondContact O-CG 3.5Å; N16-E20 PolarHBondContact O-N 3.38Å
17	L	85.1	Confident	82.7	Confident	26 Å²	26	85 Å²	85	14%	0.136	42%	0.421	C	S	.	.	H	α-helix	trans	-62.7	-46.3	-172.5	177.1	62.6	0	0	0	113	I14 C19 E20 L21 M92 V93 H96	I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 2.97Å; L17-C19 PolarHBondContact O-N 3.2Å; L17-E20 PolarHBondContact O-N 2.92Å; L17-L21 HydrophobicContact CD1-CD1 3.8Å; L17-L21 HydrophobicContact CD1-CG 3.94Å; L17-L21 HydrophobicContact CG-CD1 3.86Å; L17-L21 HydrophobicContact CG-CG 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.38Å; L17-M92 HydrophobicContact CD1-CE 3.74Å; L17-M92 HydrophobicContact CD1-CG 4.21Å; L17-M92 HydrophobicContact CD1-SD 4.25Å; L17-V93 HydrophobicContact CD1-CG2 4.38Å; L17-H96 HydrophobicContact CD2-CB 3.89Å
18	P	89.2	Confident	84.2	Confident	75 Å²	75	81.1 Å²	81.1	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-42.4	177.5	-24.7	34	0	0	0	113.2	I14 Q22	I14-P18 WeakPolarHBondContact O-CD 3.26Å; P18-Q22 VanDerWaalsContact O-CB 3.3Å; P18-Q22 WeakPolarHBondContact O-CB 3.27Å; P18-Q22 PolarHBondContact O-N 3.44Å
19	C	89.2	Confident	85.6	Confident	85 Å²	85	82.4 Å²	82.4	57%	0.574	40%	0.4	S	S	*	.	H	α-helix	trans	-65.8	-44	179.3	-74.5	0	0	0	0	111.6	N16 L17 Q22 R23	N16-C19 PolarHBondContact O-N 2.95Å; L17-C19 PolarHBondContact O-N 3.2Å; C19-Q22 PolarHBondContact O-N 3.37Å; C19-R23 WeakPolarHBondContact O-CB 3.39Å; C19-R23 PolarHBondContact O-N 3.32Å
20	E	90.3	Very high	87	Confident	88 Å²	88	81.4 Å²	81.4	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-66.5	-42.7	177.3	-71.3	-178.4	-150	0	0	111.9	N16 L17 R23 N24 M92	N16-E20 WeakPolarHBondContact O-CB 3.5Å; N16-E20 WeakPolarHBondContact O-CG 3.5Å; N16-E20 PolarHBondContact O-N 3.38Å; L17-E20 PolarHBondContact O-N 2.92Å; E20-R23 PolarHBondContact O-N 3.49Å; E20-N24 WeakPolarHBondContact O-CB 3.45Å; E20-N24 VanDerWaalsContact O-CG 3.26Å; E20-N24 PolarHBondContact O-N 2.98Å; E20-N24 PolarHBondContact O-OD1 2.94Å; E20-M92 HydrophobicContact CB-CE 4.3Å; E20-M92 HydrophobicContact CB-SD 3.69Å; E20-M92 VanDerWaalsContact OE2-SD 3.33Å
21	L	92.4	Very high	88.3	Confident	37 Å²	37	77 Å²	77	19%	0.194	38%	0.382	C	S	.	.	H	α-helix	trans	-60.6	-47.7	174.1	-81.6	169.9	0	0	0	111.9	L17 R23 N24 F25 T89 M92 V93	L17-L21 HydrophobicContact CD1-CD1 3.8Å; L17-L21 HydrophobicContact CD1-CG 3.94Å; L17-L21 HydrophobicContact CG-CD1 3.86Å; L17-L21 HydrophobicContact CG-CG 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.38Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.47Å; L21-N24 PolarHBondContact O-N 3.42Å; L21-F25 HydrophobicContact CB-CD2 4.24Å; L21-F25 HydrophobicContact CB-CE2 4.06Å; L21-F25 HydrophobicContact CD2-CE2 3.72Å; L21-F25 HydrophobicContact CD2-CZ 4.13Å; L21-F25 HydrophobicContact CG-CE2 4.42Å; L21-F25 WeakPolarHBondContact O-CD2 3.34Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 2.89Å; L21-T89 HydrophobicContact CD2-CG2 3.53Å; L21-M92 HydrophobicContact CD2-CE 3.55Å; L21-M92 HydrophobicContact CG-CE 3.6Å; L21-V93 HydrophobicContact CD1-CG2 4.28Å; L21-V93 HydrophobicContact CD2-CG2 3.72Å; L21-V93 HydrophobicContact CG-CG2 4.4Å
22	Q	94.1	Very high	89.5	Confident	139 Å²	139	75.1 Å²	75.1	65%	0.65	37%	0.372	S	S	*	.	H	α-helix	trans	-59.7	-41.7	179.4	-174.1	177.3	9.4	0	0	111.4	P18 C19 T26	P18-Q22 VanDerWaalsContact O-CB 3.3Å; P18-Q22 WeakPolarHBondContact O-CB 3.27Å; P18-Q22 PolarHBondContact O-N 3.44Å; C19-Q22 PolarHBondContact O-N 3.37Å; Q22-T26 WeakPolarHBondContact O-CB 3.42Å; Q22-T26 PolarHBondContact O-N 2.9Å; Q22-T26 PolarHBondContact O-OG1 3.47Å
23	R	95.3	Very high	90.9	Very high	171 Å²	171	74.6 Å²	74.6	65%	0.645	37%	0.369	S	S	*	.	H	α-helix	trans	-62.2	-48.7	174.4	179.9	-180	171.2	-129.8	-3.3	111.4	C19 E20 L21 T26 L27	C19-R23 WeakPolarHBondContact O-CB 3.39Å; C19-R23 PolarHBondContact O-N 3.32Å; E20-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.47Å; R23-T26 WeakPolarHBondContact O-CB 3.44Å; R23-T26 PolarHBondContact O-N 3.3Å; R23-L27 HydrophobicContact CG-CD1 4.15Å; R23-L27 WeakPolarHBondContact O-CG 3.24Å; R23-L27 PolarHBondContact O-N 3.46Å
24	N	95.3	Very high	92.2	Very high	12 Å²	12	80.3 Å²	80.3	6%	0.064	39%	0.39	C	S	.	.	H	α-helix	trans	-64.3	-42.9	-178.5	-69.7	-5.2	0	0	0	112.1	E20 L21 T26 L27 M28 L85 T89	E20-N24 WeakPolarHBondContact O-CB 3.45Å; E20-N24 VanDerWaalsContact O-CG 3.26Å; E20-N24 PolarHBondContact O-N 2.98Å; E20-N24 PolarHBondContact O-OD1 2.94Å; L21-N24 PolarHBondContact O-N 3.42Å; N24-T26 VanDerWaalsContact C-N 3.3Å; N24-T26 PolarHBondContact O-N 2.85Å; N24-L27 PolarHBondContact O-N 2.99Å; N24-M28 WeakPolarHBondContact O-CB 3.36Å; N24-M28 PolarHBondContact O-N 3.08Å; N24-L85 HydrophobicContact CB-CD1 4.24Å; N24-T89 HydrophobicContact CB-CG2 4.17Å; N24-T89 WeakPolarHBondContact CB-OG1 3.38Å; N24-T89 PolarHBondContact ND2-OG1 3.22Å; N24-T89 VanDerWaalsContact ND2-OG1 3.12Å
25	F	96.2	Very high	93.4	Very high	105 Å²	105	78.9 Å²	78.9	46%	0.461	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-32.4	175.9	-71.8	-55.2	0	0	0	112.9	L21 R29	L21-F25 HydrophobicContact CB-CD2 4.24Å; L21-F25 HydrophobicContact CB-CE2 4.06Å; L21-F25 HydrophobicContact CD2-CE2 3.72Å; L21-F25 HydrophobicContact CD2-CZ 4.13Å; L21-F25 HydrophobicContact CG-CE2 4.42Å; L21-F25 WeakPolarHBondContact O-CD2 3.34Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 2.89Å; F25-R29 WeakPolarHBondContact O-CB 3.38Å; F25-R29 PolarHBondContact O-N 3.3Å
26	T	96.9	Very high	94.4	Very high	58 Å²	58	78 Å²	78	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-48.8	173.3	-57.3	0	0	0	0	110.4	Q22 R23 N24 M28 R29 D30	Q22-T26 WeakPolarHBondContact O-CB 3.42Å; Q22-T26 PolarHBondContact O-N 2.9Å; Q22-T26 PolarHBondContact O-OG1 3.47Å; R23-T26 WeakPolarHBondContact O-CB 3.44Å; R23-T26 PolarHBondContact O-N 3.3Å; N24-T26 VanDerWaalsContact C-N 3.3Å; N24-T26 PolarHBondContact O-N 2.85Å; T26-M28 VanDerWaalsContact C-N 3.31Å; T26-M28 PolarHBondContact O-N 3.34Å; T26-R29 PolarHBondContact O-N 3.39Å; T26-D30 PolarHBondContact O-N 2.85Å
27	L	97.2	Very high	95.2	Very high	70 Å²	70	79.9 Å²	79.9	37%	0.366	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-39.4	176.3	-71.8	171.4	0	0	0	112.4	R23 N24 D30 L31 L85	R23-L27 HydrophobicContact CG-CD1 4.15Å; R23-L27 WeakPolarHBondContact O-CG 3.24Å; R23-L27 PolarHBondContact O-N 3.46Å; N24-L27 PolarHBondContact O-N 2.99Å; L27-D30 PolarHBondContact O-N 3.48Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 3.14Å; L27-L85 HydrophobicContact CB-CD2 3.63Å
28	M	97.6	Very high	95.8	Very high	30 Å²	30	81 Å²	81	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-41.1	177.9	-164.4	-179.7	-60	0	0	111.4	N24 T26 D30 L31 D32 K82 L85 A86	N24-M28 WeakPolarHBondContact O-CB 3.36Å; N24-M28 PolarHBondContact O-N 3.08Å; T26-M28 VanDerWaalsContact C-N 3.31Å; T26-M28 PolarHBondContact O-N 3.34Å; M28-D30 VanDerWaalsContact C-N 3.33Å; M28-D30 PolarHBondContact O-N 2.92Å; M28-L31 PolarHBondContact O-N 2.88Å; M28-D32 WeakPolarHBondContact O-CB 3.48Å; M28-D32 VanDerWaalsContact O-CG 3.24Å; M28-D32 PolarHBondContact O-N 3.03Å; M28-K82 HydrophobicContact CG-CG 4.07Å; M28-L85 HydrophobicContact CB-CD2 3.89Å; M28-L85 HydrophobicContact CE-CG 4.36Å; M28-A86 HydrophobicContact CE-CB 3.85Å
29	R	97.9	Very high	96.2	Very high	148 Å²	148	81.6 Å²	81.6	56%	0.558	38%	0.383	S	S	*	.	H	α-helix	trans	-64.2	-38.1	173.8	-166.1	-174.5	-53.3	136.6	8.1	112.2	F25 T26 D32 N33	F25-R29 WeakPolarHBondContact O-CB 3.38Å; F25-R29 PolarHBondContact O-N 3.3Å; T26-R29 PolarHBondContact O-N 3.39Å; R29-D32 WeakPolarHBondContact O-CB 3.21Å; R29-D32 PolarHBondContact O-N 3.17Å; R29-N33 VanDerWaalsContact O-CG 3.25Å; R29-N33 PolarHBondContact O-N 2.76Å; R29-N33 PolarHBondContact O-ND2 3.27Å
30	D	97.5	Very high	96.7	Very high	71 Å²	71	78.9 Å²	78.9	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-41.2	176	-69.6	-18.1	0	0	0	111.6	T26 L27 M28 D32 N33 R34	T26-D30 PolarHBondContact O-N 2.85Å; L27-D30 PolarHBondContact O-N 3.48Å; M28-D30 VanDerWaalsContact C-N 3.33Å; M28-D30 PolarHBondContact O-N 2.92Å; D30-D32 VanDerWaalsContact C-N 3.34Å; D30-N33 PolarHBondContact O-N 3.35Å; D30-R34 VanDerWaalsContact O-CG 3.29Å; D30-R34 WeakPolarHBondContact O-CG 3.31Å; D30-R34 PolarHBondContact O-N 2.84Å
31	L	97.6	Very high	97	Very high	21 Å²	21	78.2 Å²	78.2	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-38.7	173.2	-73.8	169.4	0	0	0	111.9	L27 M28 R34 T35 F78 D81 K82 L85	L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 3.14Å; M28-L31 PolarHBondContact O-N 2.88Å; L31-R34 PolarHBondContact O-N 3.37Å; L31-T35 WeakPolarHBondContact O-CB 3.47Å; L31-T35 PolarHBondContact O-N 3.43Å; L31-T35 PolarHBondContact O-OG1 3.18Å; L31-F78 HydrophobicContact CD2-CD1 4.13Å; L31-D81 HydrophobicContact CD1-CB 4.14Å; L31-D81 HydrophobicContact CD2-CB 4.07Å; L31-K82 HydrophobicContact CB-CB 4.33Å; L31-K82 HydrophobicContact CD1-CB 4.39Å; L31-L85 HydrophobicContact CD1-CD2 4Å
32	D	97.8	Very high	97.3	Very high	55 Å²	55	76.6 Å²	76.6	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-48.3	175.4	-75.2	-6.9	0	0	0	111.9	M28 R29 D30 R34 T35 E36 K82	M28-D32 WeakPolarHBondContact O-CB 3.48Å; M28-D32 VanDerWaalsContact O-CG 3.24Å; M28-D32 PolarHBondContact O-N 3.03Å; R29-D32 WeakPolarHBondContact O-CB 3.21Å; R29-D32 PolarHBondContact O-N 3.17Å; D30-D32 VanDerWaalsContact C-N 3.34Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 3.05Å; D32-T35 PolarHBondContact O-N 3.47Å; D32-E36 WeakPolarHBondContact O-CB 3.42Å; D32-E36 PolarHBondContact O-N 3.31Å; D32-K82 WeakPolarHBondContact OD1-CD 3.45Å; D32-K82 WeakPolarHBondContact OD1-CE 3.31Å; D32-K82 IonicContact OD1-NZ 3.93Å; D32-K82 PolarHBondContact OD1-NZ 3.44Å; D32-K82 IonicContact OD2-NZ 2.66Å; D32-K82 PolarHBondContact OD2-NZ 3.15Å
33	N	98.1	Very high	97.5	Very high	99 Å²	99	74.4 Å²	74.4	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-43.5	177.5	-70.5	-25.3	0	0	0	111.6	R29 D30 E36 E37	R29-N33 VanDerWaalsContact O-CG 3.25Å; R29-N33 PolarHBondContact O-N 2.76Å; R29-N33 PolarHBondContact O-ND2 3.27Å; D30-N33 PolarHBondContact O-N 3.35Å; N33-E36 PolarHBondContact O-N 3.39Å; N33-E37 WeakPolarHBondContact O-CB 3.45Å; N33-E37 PolarHBondContact O-N 3.29Å
34	R	97.7	Very high	97.6	Very high	127 Å²	127	73.4 Å²	73.4	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-38.4	177.2	-72.4	173.9	-176.3	-177.4	3.9	112.7	D30 L31 D32 K38 F78	D30-R34 VanDerWaalsContact O-CG 3.29Å; D30-R34 WeakPolarHBondContact O-CG 3.31Å; D30-R34 PolarHBondContact O-N 2.84Å; L31-R34 PolarHBondContact O-N 3.37Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 3.05Å; R34-K38 WeakPolarHBondContact O-CG 3.49Å; R34-K38 PolarHBondContact O-N 2.94Å; R34-F78 HydrophobicContact CB-CD2 4Å; R34-F78 HydrophobicContact CB-CE2 4.02Å; R34-F78 HydrophobicContact CB-CG 4.3Å; R34-F78 HydrophobicContact CB-CZ 4.33Å
35	T	98.1	Very high	97.7	Very high	8 Å²	8	74 Å²	74	5%	0.049	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-45.5	176.5	-58	0	0	0	0	110	L31 D32 K38 K39 F78 S79	L31-T35 WeakPolarHBondContact O-CB 3.47Å; L31-T35 PolarHBondContact O-N 3.43Å; L31-T35 PolarHBondContact O-OG1 3.18Å; D32-T35 PolarHBondContact O-N 3.47Å; T35-K38 PolarHBondContact O-N 2.94Å; T35-K39 WeakPolarHBondContact O-CG 3.25Å; T35-K39 PolarHBondContact O-N 2.98Å; T35-F78 WeakPolarHBondContact OG1-CB 3.47Å; T35-S79 WeakPolarHBondContact CG2-OG 3.21Å
36	E	97.9	Very high	97.8	Very high	115 Å²	115	70.5 Å²	70.5	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-37.6	179.9	-157.2	60.9	-158.7	0	0	112.5	D32 N33 K38 K39 G40	D32-E36 WeakPolarHBondContact O-CB 3.42Å; D32-E36 PolarHBondContact O-N 3.31Å; N33-E36 PolarHBondContact O-N 3.39Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 3.49Å; E36-K39 PolarHBondContact O-N 2.85Å; E36-K39 IonicContact OE2-NZ 2.89Å; E36-K39 PolarHBondContact OE2-NZ 2.88Å; E36-G40 PolarHBondContact O-N 3.48Å
37	E	98	Very high	97.8	Very high	137 Å²	137	74.2 Å²	74.2	64%	0.64	36%	0.358	S	S	*	.	H	α-helix	trans	-58.8	-45.3	171.1	-176.1	-178.5	-170.3	0	0	111.3	N33 G40 E41	N33-E37 WeakPolarHBondContact O-CB 3.45Å; N33-E37 PolarHBondContact O-N 3.29Å; E37-G40 PolarHBondContact O-N 3.24Å; E37-E41 PolarHBondContact O-N 3.38Å
38	K	97.8	Very high	97.7	Very high	50 Å²	50	75.6 Å²	75.6	22%	0.217	36%	0.362	C	S	.	.	H	α-helix	trans	-66.9	-38.3	177.8	-74.2	-71.2	162.3	-161.4	0	112.7	R34 T35 E36 E41 I42 K74 C75 F78	R34-K38 WeakPolarHBondContact O-CG 3.49Å; R34-K38 PolarHBondContact O-N 2.94Å; T35-K38 PolarHBondContact O-N 2.94Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 3.49Å; K38-E41 WeakPolarHBondContact CD-OE2 3.4Å; K38-E41 IonicContact NZ-OE1 2.94Å; K38-E41 IonicContact NZ-OE2 3.91Å; K38-E41 PolarHBondContact NZ-OE2 3.32Å; K38-E41 PolarHBondContact O-N 2.9Å; K38-I42 WeakPolarHBondContact O-CB 3.45Å; K38-I42 WeakPolarHBondContact O-CD1 3.44Å; K38-I42 WeakPolarHBondContact O-CG1 3.38Å; K38-I42 PolarHBondContact O-N 3.04Å; K38-K74 HydrophobicContact CD-CB 4.47Å; K38-C75 HydrophobicContact CB-CB 3.86Å; K38-F78 HydrophobicContact CG-CD2 4.12Å; K38-F78 HydrophobicContact CG-CE2 3.95Å
39	K	97.9	Very high	97.7	Very high	87 Å²	87	76.2 Å²	76.2	38%	0.378	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-46.9	171.4	-71.2	-179.4	-164.3	154.7	0	111.4	T35 E36 E41 I42 D43	T35-K39 WeakPolarHBondContact O-CG 3.25Å; T35-K39 PolarHBondContact O-N 2.98Å; E36-K39 PolarHBondContact O-N 2.85Å; E36-K39 IonicContact OE2-NZ 2.89Å; E36-K39 PolarHBondContact OE2-NZ 2.88Å; K39-E41 VanDerWaalsContact C-N 3.29Å; K39-E41 PolarHBondContact O-N 3.37Å; K39-I42 WeakPolarHBondContact O-CB 3.5Å; K39-I42 PolarHBondContact O-N 3.32Å; K39-I42 VanDerWaalsContact O-N 3.12Å; K39-D43 PolarHBondContact O-N 2.86Å
40	G	98.3	Very high	97.5	Very high	28 Å²	28	75.1 Å²	75.1	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-34.3	176.6	0	0	0	0	0	113.4	E36 E37 K44	E36-G40 PolarHBondContact O-N 3.48Å; E37-G40 PolarHBondContact O-N 3.24Å; G40-K44 WeakPolarHBondContact O-CD 3.45Å; G40-K44 VanDerWaalsContact O-CG 3.25Å; G40-K44 WeakPolarHBondContact O-CG 3.42Å; G40-K44 PolarHBondContact O-N 3.06Å
41	E	98	Very high	97.5	Very high	75 Å²	75	75.3 Å²	75.3	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-66.5	-44.9	171.5	-175	-176.2	170.8	0	0	111.8	E37 K38 K39 K44 L45	E37-E41 PolarHBondContact O-N 3.38Å; K38-E41 WeakPolarHBondContact CD-OE2 3.4Å; K38-E41 IonicContact NZ-OE1 2.94Å; K38-E41 IonicContact NZ-OE2 3.91Å; K38-E41 PolarHBondContact NZ-OE2 3.32Å; K38-E41 PolarHBondContact O-N 2.9Å; K39-E41 VanDerWaalsContact C-N 3.29Å; K39-E41 PolarHBondContact O-N 3.37Å; E41-K44 PolarHBondContact O-N 2.89Å; E41-L45 HydrophobicContact CG-CD1 4.1Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.36Å; E41-L45 PolarHBondContact O-N 3.3Å
42	I	98.3	Very high	97.3	Very high	3 Å²	3	77.4 Å²	77.4	2%	0.015	39%	0.39	C	S	.	.	H	α-helix	trans	-59	-47.6	176.4	-72.1	161.4	0	0	0	110.7	K38 K39 K44 L45 A46 A71 Y72 C75	K38-I42 WeakPolarHBondContact O-CB 3.45Å; K38-I42 WeakPolarHBondContact O-CD1 3.44Å; K38-I42 WeakPolarHBondContact O-CG1 3.38Å; K38-I42 PolarHBondContact O-N 3.04Å; K39-I42 WeakPolarHBondContact O-CB 3.5Å; K39-I42 PolarHBondContact O-N 3.32Å; K39-I42 VanDerWaalsContact O-N 3.12Å; I42-K44 PolarHBondContact O-N 2.94Å; I42-L45 PolarHBondContact O-N 3.43Å; I42-A46 VanDerWaalsContact O-CB 3.27Å; I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.34Å; I42-A71 HydrophobicContact CD1-CB 4.34Å; I42-A71 HydrophobicContact CG1-CB 3.63Å; I42-Y72 HydrophobicContact CB-CE2 4.42Å; I42-Y72 HydrophobicContact CD1-CD1 4.01Å; I42-Y72 HydrophobicContact CD1-CD2 3.98Å; I42-Y72 HydrophobicContact CD1-CE1 4.3Å; I42-Y72 HydrophobicContact CD1-CE2 4.29Å; I42-Y72 HydrophobicContact CD1-CG 3.85Å; I42-Y72 HydrophobicContact CG1-CD2 4.14Å; I42-Y72 HydrophobicContact CG1-CE2 4.4Å; I42-Y72 HydrophobicContact CG1-CG 4.46Å; I42-Y72 HydrophobicContact CG2-CD2 3.77Å; I42-Y72 HydrophobicContact CG2-CE2 3.2Å; I42-C75 HydrophobicContact CD1-CB 3.9Å
43	D	98.3	Very high	97.1	Very high	92 Å²	92	76.7 Å²	76.7	49%	0.492	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-45.9	-179.7	-70.2	-21.5	0	0	0	110.7	K39 L45 A46 E47	K39-D43 PolarHBondContact O-N 2.86Å; D43-L45 PolarHBondContact O-N 3.01Å; D43-A46 PolarHBondContact O-N 3.12Å; D43-E47 WeakPolarHBondContact O-CB 3.5Å; D43-E47 WeakPolarHBondContact O-CG 3.47Å; D43-E47 PolarHBondContact O-N 3.31Å
44	K	97.9	Very high	96.9	Very high	150 Å²	150	80.9 Å²	80.9	65%	0.652	40%	0.401	S	S	*	.	H	α-helix	trans	-60.1	-47.6	175.3	-72.9	170.5	-174.2	174.1	0	112.5	G40 E41 I42 A46 E47 E48	G40-K44 WeakPolarHBondContact O-CD 3.45Å; G40-K44 VanDerWaalsContact O-CG 3.25Å; G40-K44 WeakPolarHBondContact O-CG 3.42Å; G40-K44 PolarHBondContact O-N 3.06Å; E41-K44 PolarHBondContact O-N 2.89Å; I42-K44 PolarHBondContact O-N 2.94Å; K44-A46 VanDerWaalsContact C-N 3.29Å; K44-A46 PolarHBondContact O-N 2.8Å; K44-E47 PolarHBondContact O-N 3.07Å; K44-E48 WeakPolarHBondContact O-CB 3.31Å; K44-E48 PolarHBondContact O-N 2.93Å
45	L	97.1	Very high	96.7	Very high	26 Å²	26	81.4 Å²	81.4	14%	0.136	41%	0.413	C	S	.	.	H	α-helix	trans	-63.5	-36.9	178.8	-72.3	171.8	0	0	0	111.6	E41 I42 D43 Y49 K67 I68 A71	E41-L45 HydrophobicContact CG-CD1 4.1Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.36Å; E41-L45 PolarHBondContact O-N 3.3Å; I42-L45 PolarHBondContact O-N 3.43Å; D43-L45 PolarHBondContact O-N 3.01Å; L45-Y49 VanDerWaalsContact O-CB 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.27Å; L45-Y49 PolarHBondContact O-N 3.3Å; L45-K67 HydrophobicContact CD1-CB 4.39Å; L45-I68 HydrophobicContact CB-CD1 4.31Å; L45-I68 HydrophobicContact CB-CG1 3.62Å; L45-I68 HydrophobicContact CD1-CG1 4.36Å; L45-A71 HydrophobicContact CD1-CB 4.46Å
46	A	97.3	Very high	96.4	Very high	31 Å²	31	82.5 Å²	82.5	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-69.4	-45.7	177.3	0	0	0	0	0	111.7	I42 D43 K44 Y49 I50	I42-A46 VanDerWaalsContact O-CB 3.27Å; I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.34Å; D43-A46 PolarHBondContact O-N 3.12Å; K44-A46 VanDerWaalsContact C-N 3.29Å; K44-A46 PolarHBondContact O-N 2.8Å; A46-Y49 PolarHBondContact O-N 3.26Å; A46-I50 WeakPolarHBondContact O-CB 3.27Å; A46-I50 WeakPolarHBondContact O-CD1 3.37Å; A46-I50 VanDerWaalsContact O-CG1 3.23Å; A46-I50 WeakPolarHBondContact O-CG1 3.49Å; A46-I50 PolarHBondContact O-N 3.41Å
47	E	97.6	Very high	96.3	Very high	136 Å²	136	79.6 Å²	79.6	64%	0.636	41%	0.414	S	S	*	.	H	α-helix	trans	-59.3	-47.1	174.9	-75.5	177.8	-178.1	0	0	111.5	D43 K44 Y49 I50 A51	D43-E47 WeakPolarHBondContact O-CB 3.5Å; D43-E47 WeakPolarHBondContact O-CG 3.47Å; D43-E47 PolarHBondContact O-N 3.31Å; K44-E47 PolarHBondContact O-N 3.07Å; E47-Y49 VanDerWaalsContact C-N 3.35Å; E47-Y49 PolarHBondContact O-N 3.06Å; E47-I50 PolarHBondContact O-N 3.2Å; E47-A51 WeakPolarHBondContact O-CB 3.16Å; E47-A51 PolarHBondContact O-N 2.93Å
48	E	96.1	Very high	96.1	Very high	98 Å²	98	77.4 Å²	77.4	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.4	-174.5	178.3	-164.7	0	0	111.7	K44 A51 N52 H64	K44-E48 WeakPolarHBondContact O-CB 3.31Å; K44-E48 PolarHBondContact O-N 2.93Å; E48-A51 PolarHBondContact O-N 3.27Å; E48-N52 WeakPolarHBondContact O-CB 3.45Å; E48-N52 PolarHBondContact O-N 3.35Å; E48-N52 VanDerWaalsContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 3.02Å; E48-H64 IonicContact OE2-CE1 3.76Å
49	Y	95.8	Very high	95.9	Very high	43 Å²	43	83 Å²	83	17%	0.169	44%	0.441	C	S	.	.	H	α-helix	trans	-62.6	-49.8	176.5	179.6	-103.6	0	0	0	111.3	L45 A46 E47 A51 N52 V53 L56 R61 H64 L65	L45-Y49 VanDerWaalsContact O-CB 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.27Å; L45-Y49 PolarHBondContact O-N 3.3Å; A46-Y49 PolarHBondContact O-N 3.26Å; E47-Y49 VanDerWaalsContact C-N 3.35Å; E47-Y49 PolarHBondContact O-N 3.06Å; Y49-A51 VanDerWaalsContact C-N 3.3Å; Y49-A51 PolarHBondContact O-N 2.84Å; Y49-N52 PolarHBondContact O-N 2.93Å; Y49-V53 HydrophobicContact CE1-CB 4.48Å; Y49-V53 HydrophobicContact CE1-CG2 4.05Å; Y49-V53 HydrophobicContact CE2-CG2 4.28Å; Y49-V53 WeakPolarHBondContact O-CA 3.32Å; Y49-V53 VanDerWaalsContact O-CB 3.26Å; Y49-V53 WeakPolarHBondContact O-CB 3.28Å; Y49-V53 PolarHBondContact O-N 2.98Å; Y49-L56 HydrophobicContact CD2-CD1 4.35Å; Y49-R61 HydrophobicContact CE2-CB 4.04Å; Y49-R61 HydrophobicContact CE2-CG 4.17Å; Y49-H64 HydrophobicContact CD2-CB 3.64Å; Y49-H64 HydrophobicContact CE2-CB 4.13Å; Y49-L65 HydrophobicContact CE1-CD2 4.15Å; Y49-L65 HydrophobicContact CE2-CG 4.2Å
50	I	95.4	Very high	95.7	Very high	126 Å²	126	83.1 Å²	83.1	65%	0.646	44%	0.443	S	S	*	.	H	α-helix	trans	-61.4	-40.5	-179.5	-68.2	165	0	0	0	110.9	A46 E47 N52	A46-I50 WeakPolarHBondContact O-CB 3.27Å; A46-I50 WeakPolarHBondContact O-CD1 3.37Å; A46-I50 VanDerWaalsContact O-CG1 3.23Å; A46-I50 WeakPolarHBondContact O-CG1 3.49Å; A46-I50 PolarHBondContact O-N 3.41Å; E47-I50 PolarHBondContact O-N 3.2Å; I50-N52 PolarHBondContact O-N 3.38Å
51	A	96	Very high	95.6	Very high	74 Å²	74	86.3 Å²	86.3	61%	0.612	45%	0.446	S	S	*	.	H	α-helix	trans	-64.8	-38.3	178.2	0	0	0	0	0	112.6	E47 E48 Y49	E47-A51 WeakPolarHBondContact O-CB 3.16Å; E47-A51 PolarHBondContact O-N 2.93Å; E48-A51 PolarHBondContact O-N 3.27Å; Y49-A51 VanDerWaalsContact C-N 3.3Å; Y49-A51 PolarHBondContact O-N 2.84Å
52	N	94.2	Very high	95.5	Very high	65 Å²	65	86.7 Å²	86.7	35%	0.348	45%	0.453	S	S	.	.	H	α-helix	trans	-104	-8.1	-171	-65.2	-54.8	0	0	0	114.8	E48 Y49 I50 K54 N55 L56	E48-N52 WeakPolarHBondContact O-CB 3.45Å; E48-N52 PolarHBondContact O-N 3.35Å; E48-N52 VanDerWaalsContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 3.02Å; Y49-N52 PolarHBondContact O-N 2.93Å; I50-N52 PolarHBondContact O-N 3.38Å; N52-K54 PolarHBondContact O-N 2.66Å; N52-N55 PolarHBondContact O-N 3.01Å; N52-L56 HydrophobicContact CB-CD1 4.15Å; N52-L56 HydrophobicContact CB-CG 4.23Å; N52-L56 WeakPolarHBondContact O-CG 3.28Å; N52-L56 PolarHBondContact O-N 3.06Å
53	V	93.8	Very high	95.3	Very high	41 Å²	41	91.6 Å²	91.6	25%	0.248	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36	-170	68	0	0	0	0	114.5	Y49 N55 L56 R61	Y49-V53 HydrophobicContact CE1-CB 4.48Å; Y49-V53 HydrophobicContact CE1-CG2 4.05Å; Y49-V53 HydrophobicContact CE2-CG2 4.28Å; Y49-V53 WeakPolarHBondContact O-CA 3.32Å; Y49-V53 VanDerWaalsContact O-CB 3.26Å; Y49-V53 WeakPolarHBondContact O-CB 3.28Å; Y49-V53 PolarHBondContact O-N 2.98Å; V53-N55 VanDerWaalsContact C-N 3.28Å; V53-N55 PolarHBondContact O-N 3.36Å; V53-L56 PolarHBondContact O-N 3.48Å; V53-R61 PolarHBondContact O-NE 3.11Å
54	K	93	Very high	95.2	Very high	187 Å²	187	88.6 Å²	88.6	81%	0.813	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.4	180	-65.5	-178.3	-178.3	175.4	0	112.9	N52	N52-K54 PolarHBondContact O-N 2.66Å
55	N	94.1	Very high	95.1	Very high	138 Å²	138	85.5 Å²	85.5	74%	0.738	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-8.1	-176.2	-60.6	-28.6	0	0	0	112.7	N52 V53	N52-N55 PolarHBondContact O-N 3.01Å; V53-N55 VanDerWaalsContact C-N 3.28Å; V53-N55 PolarHBondContact O-N 3.36Å
56	L	92.5	Very high	95.1	Very high	31 Å²	31	89 Å²	89	16%	0.162	47%	0.465	C	S	.	.	S	Bend	trans	-87.2	140.3	-179.4	-68.3	172.1	0	0	0	112	Y49 N52 V53 Q60 R61	Y49-L56 HydrophobicContact CD2-CD1 4.35Å; N52-L56 HydrophobicContact CB-CD1 4.15Å; N52-L56 HydrophobicContact CB-CG 4.23Å; N52-L56 WeakPolarHBondContact O-CG 3.28Å; N52-L56 PolarHBondContact O-N 3.06Å; V53-L56 PolarHBondContact O-N 3.48Å; L56-Q60 HydrophobicContact CB-CB 4.34Å; L56-Q60 HydrophobicContact CD2-CB 4.1Å; L56-R61 HydrophobicContact CB-CG 3.79Å; L56-R61 PolarHBondContact O-NE 2.94Å; L56-R61 PolarHBondContact O-NH2 3.33Å
57	A	94.9	Very high	95	Very high	54 Å²	54	92 Å²	92	45%	0.446	47%	0.472	S	S	.	.			trans	-69.1	159.8	169.7	0	0	0	0	0	111.4	E59 Q60 R61	A57-E59 VanDerWaalsContact C-N 3.31Å; A57-E59 PolarHBondContact O-N 2.68Å; A57-Q60 HydrophobicContact CB-CG 4.39Å; A57-Q60 VanDerWaalsContact N-OE1 3.11Å; A57-Q60 PolarHBondContact O-N 3.23Å; A57-Q60 VanDerWaalsContact O-N 3.16Å; A57-R61 WeakPolarHBondContact O-CG 3.26Å; A57-R61 PolarHBondContact O-N 3.23Å
58	S	93.3	Very high	95	Very high	90 Å²	90	86.5 Å²	86.5	63%	0.629	45%	0.447	S	S	*	.	H	α-helix	trans	-55.7	-43.6	-177.1	-169.3	0	0	0	0	112.9	R61 V62	S58-R61 PolarHBondContact O-N 3.21Å; S58-V62 WeakPolarHBondContact O-CG2 3.45Å; S58-V62 PolarHBondContact O-N 2.91Å; S58-V62 VanDerWaalsContact O-N 3.17Å
59	E	94.8	Very high	95.1	Very high	167 Å²	167	87.3 Å²	87.3	78%	0.78	45%	0.451	S	S	*	.	H	α-helix	trans	-63.7	-43.4	179.1	-66.9	179.6	173.3	0	0	112	A57 R61 V62 E63	A57-E59 VanDerWaalsContact C-N 3.31Å; A57-E59 PolarHBondContact O-N 2.68Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 3.06Å; E59-V62 PolarHBondContact O-N 3.27Å; E59-E63 PolarHBondContact O-N 3.38Å
60	Q	94.1	Very high	95.2	Very high	91 Å²	91	89.7 Å²	89.7	43%	0.425	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-34.3	178	-65.4	172.4	-23.7	0	0	112.2	L56 A57 E63 H64	L56-Q60 HydrophobicContact CB-CB 4.34Å; L56-Q60 HydrophobicContact CD2-CB 4.1Å; A57-Q60 HydrophobicContact CB-CG 4.39Å; A57-Q60 VanDerWaalsContact N-OE1 3.11Å; A57-Q60 PolarHBondContact O-N 3.23Å; A57-Q60 VanDerWaalsContact O-N 3.16Å; Q60-E63 PolarHBondContact O-N 2.97Å; Q60-H64 PolarHBondContact O-N 3.2Å
61	R	94.7	Very high	95.3	Very high	94 Å²	94	84 Å²	84	36%	0.355	44%	0.438	S	S	.	.	H	α-helix	trans	-65.6	-42.8	174.8	-66.9	178.3	-153.3	173.4	4.8	111.5	Y49 V53 L56 A57 S58 E59 E63 H64 L65	Y49-R61 HydrophobicContact CE2-CB 4.04Å; Y49-R61 HydrophobicContact CE2-CG 4.17Å; V53-R61 PolarHBondContact O-NE 3.11Å; L56-R61 HydrophobicContact CB-CG 3.79Å; L56-R61 PolarHBondContact O-NE 2.94Å; L56-R61 PolarHBondContact O-NH2 3.33Å; A57-R61 WeakPolarHBondContact O-CG 3.26Å; A57-R61 PolarHBondContact O-N 3.23Å; S58-R61 PolarHBondContact O-N 3.21Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 3.06Å; R61-E63 VanDerWaalsContact C-N 3.34Å; R61-H64 PolarHBondContact O-N 3.4Å; R61-L65 WeakPolarHBondContact O-CB 3.48Å; R61-L65 WeakPolarHBondContact O-CG 3.44Å; R61-L65 PolarHBondContact O-N 3.43Å
62	V	95.7	Very high	95.4	Very high	83 Å²	83	87 Å²	87	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-44.8	176.1	175.2	0	0	0	0	109.9	S58 E59 H64 L65 Q66	S58-V62 WeakPolarHBondContact O-CG2 3.45Å; S58-V62 PolarHBondContact O-N 2.91Å; S58-V62 VanDerWaalsContact O-N 3.17Å; E59-V62 PolarHBondContact O-N 3.27Å; V62-H64 PolarHBondContact O-N 3.31Å; V62-L65 PolarHBondContact O-N 3.37Å; V62-Q66 WeakPolarHBondContact O-CB 3.47Å; V62-Q66 PolarHBondContact O-N 3.36Å
63	E	95.4	Very high	95.6	Very high	107 Å²	107	86.6 Å²	86.6	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-43.6	177.8	-163.5	-163.9	148.2	0	0	112.4	E59 Q60 R61 Q66 K67	E59-E63 PolarHBondContact O-N 3.38Å; Q60-E63 PolarHBondContact O-N 2.97Å; R61-E63 VanDerWaalsContact C-N 3.34Å; E63-Q66 WeakPolarHBondContact O-CB 2.82Å; E63-Q66 PolarHBondContact O-N 3.48Å; E63-K67 WeakPolarHBondContact O-CG 3.37Å; E63-K67 PolarHBondContact O-N 3.06Å; E63-K67 VanDerWaalsContact OE1-CE 3.24Å; E63-K67 WeakPolarHBondContact OE1-CE 3.35Å; E63-K67 IonicContact OE1-NZ 2.76Å; E63-K67 PolarHBondContact OE1-NZ 3.34Å
64	H	95.3	Very high	95.8	Very high	28 Å²	28	88.5 Å²	88.5	13%	0.13	44%	0.442	C	S	.	.	H	α-helix	trans	-62.4	-46.1	175.6	-110.2	-79.9	0	0	0	112.3	E48 Y49 Q60 R61 V62 Q66 K67 I68	E48-H64 IonicContact OE2-CE1 3.76Å; Y49-H64 HydrophobicContact CD2-CB 3.64Å; Y49-H64 HydrophobicContact CE2-CB 4.13Å; Q60-H64 PolarHBondContact O-N 3.2Å; R61-H64 PolarHBondContact O-N 3.4Å; V62-H64 PolarHBondContact O-N 3.31Å; H64-Q66 VanDerWaalsContact C-N 3.27Å; H64-Q66 PolarHBondContact O-N 3.21Å; H64-K67 WeakPolarHBondContact O-CB 3.43Å; H64-K67 PolarHBondContact O-N 2.6Å; H64-I68 WeakPolarHBondContact O-CG1 3.38Å; H64-I68 PolarHBondContact O-N 3.47Å
65	L	95.3	Very high	96.1	Very high	85 Å²	85	80.1 Å²	80.1	45%	0.445	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-36.8	177.5	-73.9	171.6	0	0	0	111.5	Y49 R61 V62 I68 Q69	Y49-L65 HydrophobicContact CE1-CD2 4.15Å; Y49-L65 HydrophobicContact CE2-CG 4.2Å; R61-L65 WeakPolarHBondContact O-CB 3.48Å; R61-L65 WeakPolarHBondContact O-CG 3.44Å; R61-L65 PolarHBondContact O-N 3.43Å; V62-L65 PolarHBondContact O-N 3.37Å; L65-I68 PolarHBondContact O-N 3.21Å; L65-Q69 WeakPolarHBondContact O-CB 3.4Å; L65-Q69 PolarHBondContact O-N 3.25Å
66	Q	97.3	Very high	96.2	Very high	101 Å²	101	79.9 Å²	79.9	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.7	-163.4	108.5	39.4	0	0	111.7	V62 E63 H64 Q69 N70	V62-Q66 WeakPolarHBondContact O-CB 3.47Å; V62-Q66 PolarHBondContact O-N 3.36Å; E63-Q66 WeakPolarHBondContact O-CB 2.82Å; E63-Q66 PolarHBondContact O-N 3.48Å; H64-Q66 VanDerWaalsContact C-N 3.27Å; H64-Q66 PolarHBondContact O-N 3.21Å; Q66-Q69 PolarHBondContact O-N 2.88Å; Q66-N70 WeakPolarHBondContact O-CB 2.99Å; Q66-N70 PolarHBondContact O-N 2.9Å; Q66-N70 PolarHBondContact O-ND2 3.16Å
67	K	96.9	Very high	96.5	Very high	93 Å²	93	82.9 Å²	82.9	40%	0.404	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-47.3	174.7	-71.1	171.7	-173.8	165.1	0	111.5	L45 E63 H64 Q69 N70 A71	L45-K67 HydrophobicContact CD1-CB 4.39Å; E63-K67 WeakPolarHBondContact O-CG 3.37Å; E63-K67 PolarHBondContact O-N 3.06Å; E63-K67 VanDerWaalsContact OE1-CE 3.24Å; E63-K67 WeakPolarHBondContact OE1-CE 3.35Å; E63-K67 IonicContact OE1-NZ 2.76Å; E63-K67 PolarHBondContact OE1-NZ 3.34Å; H64-K67 WeakPolarHBondContact O-CB 3.43Å; H64-K67 PolarHBondContact O-N 2.6Å; K67-Q69 VanDerWaalsContact C-N 3.35Å; K67-Q69 PolarHBondContact O-N 2.9Å; K67-N70 PolarHBondContact O-N 3.39Å; K67-A71 PolarHBondContact O-N 2.9Å
68	I	96.9	Very high	96.6	Very high	20 Å²	20	81.6 Å²	81.6	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-59.9	-46.4	176.3	-66.5	166.4	0	0	0	110.4	L45 H64 L65 N70 A71 Y72	L45-I68 HydrophobicContact CB-CD1 4.31Å; L45-I68 HydrophobicContact CB-CG1 3.62Å; L45-I68 HydrophobicContact CD1-CG1 4.36Å; H64-I68 WeakPolarHBondContact O-CG1 3.38Å; H64-I68 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 3.21Å; I68-N70 PolarHBondContact O-N 2.9Å; I68-A71 PolarHBondContact O-N 3.27Å; I68-Y72 HydrophobicContact CG2-CD2 3.78Å; I68-Y72 HydrophobicContact CG2-CE2 4.02Å; I68-Y72 WeakPolarHBondContact O-CB 3.4Å; I68-Y72 PolarHBondContact O-N 2.74Å
69	Q	98	Very high	96.9	Very high	115 Å²	115	79.2 Å²	79.2	54%	0.537	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-43.6	179.1	-173.7	178.9	12	0	0	112	L65 Q66 K67 Y72 S73	L65-Q69 WeakPolarHBondContact O-CB 3.4Å; L65-Q69 PolarHBondContact O-N 3.25Å; Q66-Q69 PolarHBondContact O-N 2.88Å; K67-Q69 VanDerWaalsContact C-N 3.35Å; K67-Q69 PolarHBondContact O-N 2.9Å; Q69-Y72 WeakPolarHBondContact O-CB 3.46Å; Q69-Y72 PolarHBondContact O-N 3.43Å; Q69-S73 PolarHBondContact O-N 3.35Å; Q69-S73 PolarHBondContact O-OG 3.5Å; Q69-S73 VanDerWaalsContact O-OG 3.14Å
70	N	98	Very high	97	Very high	94 Å²	94	75 Å²	75	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-41.5	177.6	-69.7	-18	0	0	0	111.8	Q66 K67 I68 S73 K74	Q66-N70 WeakPolarHBondContact O-CB 2.99Å; Q66-N70 PolarHBondContact O-N 2.9Å; Q66-N70 PolarHBondContact O-ND2 3.16Å; K67-N70 PolarHBondContact O-N 3.39Å; I68-N70 PolarHBondContact O-N 2.9Å; N70-S73 PolarHBondContact O-N 2.92Å; N70-K74 PolarHBondContact O-N 3.17Å
71	A	97.5	Very high	97.2	Very high	5 Å²	5	74.1 Å²	74.1	4%	0.041	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-42.2	175	0	0	0	0	0	111.5	I42 L45 K67 I68 K74 C75	I42-A71 HydrophobicContact CD1-CB 4.34Å; I42-A71 HydrophobicContact CG1-CB 3.63Å; L45-A71 HydrophobicContact CD1-CB 4.46Å; K67-A71 PolarHBondContact O-N 2.9Å; I68-A71 PolarHBondContact O-N 3.27Å; A71-K74 PolarHBondContact O-N 3.34Å; A71-C75 WeakPolarHBondContact O-CB 3.44Å; A71-C75 PolarHBondContact O-N 3.39Å
72	Y	98.1	Very high	97.3	Very high	137 Å²	137	73.1 Å²	73.1	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-47.4	173.8	-102.9	-71.7	0	0	0	112.8	I42 I68 Q69 K74 C75 K76	I42-Y72 HydrophobicContact CB-CE2 4.42Å; I42-Y72 HydrophobicContact CD1-CD1 4.01Å; I42-Y72 HydrophobicContact CD1-CD2 3.98Å; I42-Y72 HydrophobicContact CD1-CE1 4.3Å; I42-Y72 HydrophobicContact CD1-CE2 4.29Å; I42-Y72 HydrophobicContact CD1-CG 3.85Å; I42-Y72 HydrophobicContact CG1-CD2 4.14Å; I42-Y72 HydrophobicContact CG1-CE2 4.4Å; I42-Y72 HydrophobicContact CG1-CG 4.46Å; I42-Y72 HydrophobicContact CG2-CD2 3.77Å; I42-Y72 HydrophobicContact CG2-CE2 3.2Å; I68-Y72 HydrophobicContact CG2-CD2 3.78Å; I68-Y72 HydrophobicContact CG2-CE2 4.02Å; I68-Y72 WeakPolarHBondContact O-CB 3.4Å; I68-Y72 PolarHBondContact O-N 2.74Å; Q69-Y72 WeakPolarHBondContact O-CB 3.46Å; Q69-Y72 PolarHBondContact O-N 3.43Å; Y72-K74 VanDerWaalsContact C-N 3.28Å; Y72-K74 PolarHBondContact O-N 3.04Å; Y72-C75 WeakPolarHBondContact O-CB 3.29Å; Y72-C75 PolarHBondContact O-N 2.94Å; Y72-K76 WeakPolarHBondContact O-CB 3.44Å; Y72-K76 PolarHBondContact O-N 2.9Å
73	S	98.3	Very high	97.4	Very high	57 Å²	57	73 Å²	73	40%	0.399	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-44	176.6	-64.8	0	0	0	0	110.9	Q69 N70 K76 E77	Q69-S73 PolarHBondContact O-N 3.35Å; Q69-S73 PolarHBondContact O-OG 3.5Å; Q69-S73 VanDerWaalsContact O-OG 3.14Å; N70-S73 PolarHBondContact O-N 2.92Å; S73-K76 PolarHBondContact O-N 3.33Å; S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.21Å
74	K	98	Very high	97.5	Very high	82 Å²	82	74.1 Å²	74.1	36%	0.357	36%	0.364	S	S	.	.	H	α-helix	trans	-68.1	-39.1	177.9	-163.4	72.1	-154	160.2	0	113	K38 N70 A71 Y72 K76 E77 F78	K38-K74 HydrophobicContact CD-CB 4.47Å; N70-K74 PolarHBondContact O-N 3.17Å; A71-K74 PolarHBondContact O-N 3.34Å; Y72-K74 VanDerWaalsContact C-N 3.28Å; Y72-K74 PolarHBondContact O-N 3.04Å; K74-K76 VanDerWaalsContact C-N 3.3Å; K74-K76 PolarHBondContact O-N 2.93Å; K74-E77 WeakPolarHBondContact CD-OE2 3.4Å; K74-E77 WeakPolarHBondContact CE-OE2 3.32Å; K74-E77 IonicContact NZ-OE2 3.22Å; K74-E77 PolarHBondContact NZ-OE2 3.43Å; K74-E77 PolarHBondContact O-N 2.96Å; K74-F78 HydrophobicContact CD-CZ 4.43Å; K74-F78 VanDerWaalsContact CE-CZ 3.5Å; K74-F78 HydrophobicContact CG-CD2 4.34Å; K74-F78 HydrophobicContact CG-CE2 3.76Å; K74-F78 HydrophobicContact CG-CZ 4.11Å; K74-F78 VanDerWaalsContact O-CD2 3.31Å; K74-F78 WeakPolarHBondContact O-CD2 3.42Å; K74-F78 PolarHBondContact O-N 3.36Å; K74-F78 VanDerWaalsContact O-N 3.11Å
75	C	98.2	Very high	97.5	Very high	10 Å²	10	73.6 Å²	73.6	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-41.6	174.2	-173.3	0	0	0	0	111.4	K38 I42 A71 Y72 F78 S79	K38-C75 HydrophobicContact CB-CB 3.86Å; I42-C75 HydrophobicContact CD1-CB 3.9Å; A71-C75 WeakPolarHBondContact O-CB 3.44Å; A71-C75 PolarHBondContact O-N 3.39Å; Y72-C75 WeakPolarHBondContact O-CB 3.29Å; Y72-C75 PolarHBondContact O-N 2.94Å; C75-F78 PolarHBondContact O-N 2.95Å; C75-S79 PolarHBondContact O-N 3.24Å; C75-S79 PolarHBondContact O-OG 3.4Å
76	K	97.9	Very high	97.6	Very high	134 Å²	134	71.5 Å²	71.5	58%	0.583	36%	0.357	S	S	*	.	H	α-helix	trans	-64	-46.9	176.2	-173.8	-174.9	174.1	-173.1	0	111.2	Y72 S73 K74 F78 S79 D80	Y72-K76 WeakPolarHBondContact O-CB 3.44Å; Y72-K76 PolarHBondContact O-N 2.9Å; S73-K76 PolarHBondContact O-N 3.33Å; K74-K76 VanDerWaalsContact C-N 3.3Å; K74-K76 PolarHBondContact O-N 2.93Å; K76-F78 VanDerWaalsContact C-N 3.33Å; K76-F78 PolarHBondContact O-N 3.45Å; K76-S79 CarbonylContact O-C 3.54Å; K76-S79 WeakPolarHBondContact O-CA 3.22Å; K76-S79 WeakPolarHBondContact O-CB 3.28Å; K76-S79 PolarHBondContact O-N 3.44Å; K76-D80 PolarHBondContact O-N 3.23Å
77	E	98.1	Very high	97.5	Very high	94 Å²	94	71.8 Å²	71.8	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-54.6	-47.4	176.1	-74	172.8	-165.6	0	0	111.9	S73 K74 S79 D80 D81	S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.21Å; K74-E77 WeakPolarHBondContact CD-OE2 3.4Å; K74-E77 WeakPolarHBondContact CE-OE2 3.32Å; K74-E77 IonicContact NZ-OE2 3.22Å; K74-E77 PolarHBondContact NZ-OE2 3.43Å; K74-E77 PolarHBondContact O-N 2.96Å; E77-S79 VanDerWaalsContact C-N 3.27Å; E77-S79 PolarHBondContact O-N 3.47Å; E77-D80 PolarHBondContact O-N 3.08Å; E77-D81 VanDerWaalsContact O-CG 3.3Å; E77-D81 PolarHBondContact O-N 3.22Å
78	F	97.9	Very high	97.4	Very high	26 Å²	26	73 Å²	73	11%	0.114	37%	0.366	C	S	.	.	H	α-helix	trans	-63.4	-33.7	176.1	-66.4	-43.4	0	0	0	113.3	L31 R34 T35 K38 K74 C75 K76 K82	L31-F78 HydrophobicContact CD2-CD1 4.13Å; R34-F78 HydrophobicContact CB-CD2 4Å; R34-F78 HydrophobicContact CB-CE2 4.02Å; R34-F78 HydrophobicContact CB-CG 4.3Å; R34-F78 HydrophobicContact CB-CZ 4.33Å; T35-F78 WeakPolarHBondContact OG1-CB 3.47Å; K38-F78 HydrophobicContact CG-CD2 4.12Å; K38-F78 HydrophobicContact CG-CE2 3.95Å; K74-F78 HydrophobicContact CD-CZ 4.43Å; K74-F78 VanDerWaalsContact CE-CZ 3.5Å; K74-F78 HydrophobicContact CG-CD2 4.34Å; K74-F78 HydrophobicContact CG-CE2 3.76Å; K74-F78 HydrophobicContact CG-CZ 4.11Å; K74-F78 VanDerWaalsContact O-CD2 3.31Å; K74-F78 WeakPolarHBondContact O-CD2 3.42Å; K74-F78 PolarHBondContact O-N 3.36Å; K74-F78 VanDerWaalsContact O-N 3.11Å; C75-F78 PolarHBondContact O-N 2.95Å; K76-F78 VanDerWaalsContact C-N 3.33Å; K76-F78 PolarHBondContact O-N 3.45Å; F78-K82 WeakPolarHBondContact O-CB 3.18Å; F78-K82 PolarHBondContact O-N 3.47Å
79	S	97.6	Very high	97.2	Very high	41 Å²	41	72.4 Å²	72.4	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-69.5	-41.4	176.6	-55.9	0	0	0	0	111.4	T35 C75 K76 E77 K82 V83	T35-S79 WeakPolarHBondContact CG2-OG 3.21Å; C75-S79 PolarHBondContact O-N 3.24Å; C75-S79 PolarHBondContact O-OG 3.4Å; K76-S79 CarbonylContact O-C 3.54Å; K76-S79 WeakPolarHBondContact O-CA 3.22Å; K76-S79 WeakPolarHBondContact O-CB 3.28Å; K76-S79 PolarHBondContact O-N 3.44Å; E77-S79 VanDerWaalsContact C-N 3.27Å; E77-S79 PolarHBondContact O-N 3.47Å; S79-K82 WeakPolarHBondContact O-CB 3.21Å; S79-K82 PolarHBondContact O-N 3.1Å; S79-V83 WeakPolarHBondContact O-CG2 3.19Å; S79-V83 PolarHBondContact O-N 3.05Å; S79-V83 VanDerWaalsContact O-N 3.07Å
80	D	97.6	Very high	97	Very high	78 Å²	78	72.4 Å²	72.4	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-44.1	176.9	-67.9	-17.5	0	0	0	110.5	K76 E77 K82 V83 Q84	K76-D80 PolarHBondContact O-N 3.23Å; E77-D80 PolarHBondContact O-N 3.08Å; D80-K82 VanDerWaalsContact C-N 3.3Å; D80-K82 PolarHBondContact O-N 3.25Å; D80-V83 PolarHBondContact O-N 2.89Å; D80-Q84 WeakPolarHBondContact O-CG 3.19Å; D80-Q84 PolarHBondContact O-N 2.95Å
81	D	97.8	Very high	96.8	Very high	73 Å²	73	73.5 Å²	73.5	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-58.6	-40.5	173.8	-71.7	-17.8	0	0	0	111.7	L31 E77 Q84 L85	L31-D81 HydrophobicContact CD1-CB 4.14Å; L31-D81 HydrophobicContact CD2-CB 4.07Å; E77-D81 VanDerWaalsContact O-CG 3.3Å; E77-D81 PolarHBondContact O-N 3.22Å; D81-Q84 PolarHBondContact O-N 3.34Å; D81-L85 WeakPolarHBondContact O-CB 3.05Å; D81-L85 PolarHBondContact O-N 2.9Å
82	K	97.4	Very high	96.5	Very high	72 Å²	72	74.5 Å²	74.5	31%	0.313	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-46.1	176.2	-177.4	-160.6	178.6	158.1	0	111.3	M28 L31 D32 F78 S79 D80 L85 A86	M28-K82 HydrophobicContact CG-CG 4.07Å; L31-K82 HydrophobicContact CB-CB 4.33Å; L31-K82 HydrophobicContact CD1-CB 4.39Å; D32-K82 WeakPolarHBondContact OD1-CD 3.45Å; D32-K82 WeakPolarHBondContact OD1-CE 3.31Å; D32-K82 IonicContact OD1-NZ 3.93Å; D32-K82 PolarHBondContact OD1-NZ 3.44Å; D32-K82 IonicContact OD2-NZ 2.66Å; D32-K82 PolarHBondContact OD2-NZ 3.15Å; F78-K82 WeakPolarHBondContact O-CB 3.18Å; F78-K82 PolarHBondContact O-N 3.47Å; S79-K82 WeakPolarHBondContact O-CB 3.21Å; S79-K82 PolarHBondContact O-N 3.1Å; D80-K82 VanDerWaalsContact C-N 3.3Å; D80-K82 PolarHBondContact O-N 3.25Å; K82-L85 PolarHBondContact O-N 3.44Å; K82-A86 WeakPolarHBondContact O-CB 3.47Å; K82-A86 PolarHBondContact O-N 2.89Å
83	V	97.3	Very high	96.2	Very high	82 Å²	82	70.1 Å²	70.1	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-46	178.8	172	0	0	0	0	110.2	S79 D80 L85 A86 M87	S79-V83 WeakPolarHBondContact O-CG2 3.19Å; S79-V83 PolarHBondContact O-N 3.05Å; S79-V83 VanDerWaalsContact O-N 3.07Å; D80-V83 PolarHBondContact O-N 2.89Å; V83-L85 VanDerWaalsContact C-N 3.35Å; V83-L85 PolarHBondContact O-N 2.82Å; V83-A86 PolarHBondContact O-N 2.79Å; V83-M87 HydrophobicContact CG1-CG 4.49Å; V83-M87 HydrophobicContact CG1-SD 4.19Å; V83-M87 WeakPolarHBondContact O-CG 3.35Å; V83-M87 PolarHBondContact O-N 3.08Å
84	Q	97.3	Very high	95.9	Very high	129 Å²	129	69.2 Å²	69.2	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-43.5	177.7	-70.8	-176.6	3.8	0	0	112.2	D80 D81 A86 M87 Q88	D80-Q84 WeakPolarHBondContact O-CG 3.19Å; D80-Q84 PolarHBondContact O-N 2.95Å; D81-Q84 PolarHBondContact O-N 3.34Å; Q84-A86 VanDerWaalsContact C-N 3.32Å; Q84-A86 PolarHBondContact O-N 3.35Å; Q84-M87 PolarHBondContact O-N 3.25Å; Q84-Q88 WeakPolarHBondContact O-CB 3.49Å; Q84-Q88 PolarHBondContact O-N 2.88Å
85	L	97.1	Very high	95.5	Very high	18 Å²	18	72.4 Å²	72.4	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-39	176.8	-178.4	62.2	0	0	0	112	N24 L27 M28 L31 D81 K82 V83 Q88 T89	N24-L85 HydrophobicContact CB-CD1 4.24Å; L27-L85 HydrophobicContact CB-CD2 3.63Å; M28-L85 HydrophobicContact CB-CD2 3.89Å; M28-L85 HydrophobicContact CE-CG 4.36Å; L31-L85 HydrophobicContact CD1-CD2 4Å; D81-L85 WeakPolarHBondContact O-CB 3.05Å; D81-L85 PolarHBondContact O-N 2.9Å; K82-L85 PolarHBondContact O-N 3.44Å; V83-L85 VanDerWaalsContact C-N 3.35Å; V83-L85 PolarHBondContact O-N 2.82Å; L85-Q88 PolarHBondContact O-N 3.22Å; L85-T89 WeakPolarHBondContact O-CB 3.5Å; L85-T89 PolarHBondContact O-N 3.12Å; L85-T89 PolarHBondContact O-OG1 3.33Å
86	A	96.3	Very high	94.9	Very high	40 Å²	40	73.6 Å²	73.6	33%	0.331	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-45.6	175.8	0	0	0	0	0	111.6	M28 K82 V83 Q84 T89 Y90	M28-A86 HydrophobicContact CE-CB 3.85Å; K82-A86 WeakPolarHBondContact O-CB 3.47Å; K82-A86 PolarHBondContact O-N 2.89Å; V83-A86 PolarHBondContact O-N 2.79Å; Q84-A86 VanDerWaalsContact C-N 3.32Å; Q84-A86 PolarHBondContact O-N 3.35Å; A86-T89 PolarHBondContact O-N 3.16Å; A86-Y90 WeakPolarHBondContact O-CB 3.5Å; A86-Y90 PolarHBondContact O-N 3.11Å
87	M	95.3	Very high	94.5	Very high	107 Å²	107	70.8 Å²	70.8	53%	0.527	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-48.6	175.1	-69.8	178.5	67.5	0	0	111.5	V83 Q84 T89 Y90 E91	V83-M87 HydrophobicContact CG1-CG 4.49Å; V83-M87 HydrophobicContact CG1-SD 4.19Å; V83-M87 WeakPolarHBondContact O-CG 3.35Å; V83-M87 PolarHBondContact O-N 3.08Å; Q84-M87 PolarHBondContact O-N 3.25Å; M87-T89 VanDerWaalsContact C-N 3.29Å; M87-T89 PolarHBondContact O-N 3.25Å; M87-Y90 WeakPolarHBondContact O-CB 3.45Å; M87-Y90 PolarHBondContact O-N 3.02Å; M87-Y90 VanDerWaalsContact O-N 3.17Å; M87-E91 WeakPolarHBondContact O-CG 3.33Å; M87-E91 PolarHBondContact O-N 2.98Å
88	Q	94.1	Very high	94.1	Very high	118 Å²	118	74 Å²	74	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-59.8	-40.8	178	-175.5	-177.2	6	0	0	112	Q84 L85 M92	Q84-Q88 WeakPolarHBondContact O-CB 3.49Å; Q84-Q88 PolarHBondContact O-N 2.88Å; L85-Q88 PolarHBondContact O-N 3.22Å; Q88-M92 WeakPolarHBondContact O-CB 3.33Å; Q88-M92 PolarHBondContact O-N 2.97Å
89	T	94.4	Very high	93.5	Very high	8 Å²	8	78.5 Å²	78.5	5%	0.049	38%	0.377	C	S	.	.	H	α-helix	trans	-66.9	-39.9	178.3	-55.6	0	0	0	0	111.2	L21 N24 L85 A86 M87 M92 V93	L21-T89 HydrophobicContact CD2-CG2 3.53Å; N24-T89 HydrophobicContact CB-CG2 4.17Å; N24-T89 WeakPolarHBondContact CB-OG1 3.38Å; N24-T89 PolarHBondContact ND2-OG1 3.22Å; N24-T89 VanDerWaalsContact ND2-OG1 3.12Å; L85-T89 WeakPolarHBondContact O-CB 3.5Å; L85-T89 PolarHBondContact O-N 3.12Å; L85-T89 PolarHBondContact O-OG1 3.33Å; A86-T89 PolarHBondContact O-N 3.16Å; M87-T89 VanDerWaalsContact C-N 3.29Å; M87-T89 PolarHBondContact O-N 3.25Å; T89-M92 HydrophobicContact CG2-CE 4.2Å; T89-V93 WeakPolarHBondContact O-CG2 3.35Å; T89-V93 PolarHBondContact O-N 3.04Å; T89-V93 VanDerWaalsContact O-N 3.13Å
90	Y	93.7	Very high	92.9	Very high	115 Å²	115	78.4 Å²	78.4	45%	0.451	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-50.4	175.8	-179.4	-93	0	0	0	111.8	A86 M87 M92 V93 D94 M180	A86-Y90 WeakPolarHBondContact O-CB 3.5Å; A86-Y90 PolarHBondContact O-N 3.11Å; M87-Y90 WeakPolarHBondContact O-CB 3.45Å; M87-Y90 PolarHBondContact O-N 3.02Å; M87-Y90 VanDerWaalsContact O-N 3.17Å; Y90-M92 VanDerWaalsContact C-N 3.27Å; Y90-M92 PolarHBondContact O-N 3.47Å; Y90-V93 PolarHBondContact O-N 3.49Å; Y90-V93 VanDerWaalsContact O-N 3.1Å; Y90-D94 HydrophobicContact CE1-CB 4.44Å; Y90-D94 PolarHBondContact O-N 2.98Å; Y90-M180 HydrophobicContact CD1-SD 4.26Å; Y90-M180 HydrophobicContact CE1-SD 3.48Å; Y90-M180 WeakPolarHBondContact CE1-SD 3.06Å; Y90-M180 HydrophobicContact CE2-CE 3.74Å; Y90-M180 HydrophobicContact CE2-SD 3.8Å; Y90-M180 PolarHBondContact OH-SD 3.28Å
91	E	93.3	Very high	92.4	Very high	118 Å²	118	79 Å²	79	55%	0.551	38%	0.377	S	S	*	.	H	α-helix	trans	-59.8	-38.3	178.2	-71.9	175.1	-175.5	0	0	112.3	M87 K95	M87-E91 WeakPolarHBondContact O-CG 3.33Å; M87-E91 PolarHBondContact O-N 2.98Å; E91-K95 WeakPolarHBondContact O-CB 3.36Å; E91-K95 PolarHBondContact O-N 3.22Å
92	M	91.4	Very high	91.9	Very high	25 Å²	25	77.9 Å²	77.9	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-59.1	-51.1	173.3	178.5	-172	70	0	0	110.6	L17 E20 L21 Q88 T89 Y90 K95 H96	L17-M92 HydrophobicContact CD1-CE 3.74Å; L17-M92 HydrophobicContact CD1-CG 4.21Å; L17-M92 HydrophobicContact CD1-SD 4.25Å; E20-M92 HydrophobicContact CB-CE 4.3Å; E20-M92 HydrophobicContact CB-SD 3.69Å; E20-M92 VanDerWaalsContact OE2-SD 3.33Å; L21-M92 HydrophobicContact CD2-CE 3.55Å; L21-M92 HydrophobicContact CG-CE 3.6Å; Q88-M92 WeakPolarHBondContact O-CB 3.33Å; Q88-M92 PolarHBondContact O-N 2.97Å; T89-M92 HydrophobicContact CG2-CE 4.2Å; Y90-M92 VanDerWaalsContact C-N 3.27Å; Y90-M92 PolarHBondContact O-N 3.47Å; M92-K95 WeakPolarHBondContact O-CB 3.28Å; M92-K95 PolarHBondContact O-N 3.38Å; M92-H96 PolarHBondContact O-CD2 3.1Å; M92-H96 PolarHBondContact O-N 2.87Å
93	V	92.2	Very high	91.3	Very high	45 Å²	45	75.5 Å²	75.5	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-46.4	179.7	173.7	0	0	0	0	111.6	L17 L21 T89 Y90 K95 H96 I97	L17-V93 HydrophobicContact CD1-CG2 4.38Å; L21-V93 HydrophobicContact CD1-CG2 4.28Å; L21-V93 HydrophobicContact CD2-CG2 3.72Å; L21-V93 HydrophobicContact CG-CG2 4.4Å; T89-V93 WeakPolarHBondContact O-CG2 3.35Å; T89-V93 PolarHBondContact O-N 3.04Å; T89-V93 VanDerWaalsContact O-N 3.13Å; Y90-V93 PolarHBondContact O-N 3.49Å; Y90-V93 VanDerWaalsContact O-N 3.1Å; V93-K95 VanDerWaalsContact C-N 3.28Å; V93-K95 PolarHBondContact O-N 2.9Å; V93-H96 WeakPolarHBondContact O-CA 3.2Å; V93-H96 WeakPolarHBondContact O-CB 3.22Å; V93-H96 PolarHBondContact O-N 3.33Å; V93-I97 HydrophobicContact CG1-CD1 3.89Å; V93-I97 HydrophobicContact CG1-CG1 4.33Å; V93-I97 WeakPolarHBondContact O-CG1 3.21Å; V93-I97 PolarHBondContact O-N 2.7Å
94	D	90.9	Very high	90.7	Very high	39 Å²	39	76.2 Å²	76.2	21%	0.209	37%	0.368	C	S	.	.	H	α-helix	trans	-57.4	-40.6	176.7	169.8	81.4	0	0	0	111.7	Y90 H96 I97 R98	Y90-D94 HydrophobicContact CE1-CB 4.44Å; Y90-D94 PolarHBondContact O-N 2.98Å; D94-H96 VanDerWaalsContact C-N 3.3Å; D94-H96 PolarHBondContact O-N 3.27Å; D94-I97 PolarHBondContact O-N 2.89Å; D94-R98 WeakPolarHBondContact O-CG 3.37Å; D94-R98 PolarHBondContact O-N 3.33Å; D94-R98 IonicContact OD1-CZ 2.89Å; D94-R98 IonicContact OD1-NE 3.6Å; D94-R98 PolarHBondContact OD1-NE 3.32Å; D94-R98 VanDerWaalsContact OD1-NE 3.12Å; D94-R98 IonicContact OD1-NH2 3.12Å; D94-R98 PolarHBondContact OD1-NH2 2.97Å; D94-R98 IonicContact OD2-CZ 2.68Å; D94-R98 IonicContact OD2-NE 3.02Å; D94-R98 PolarHBondContact OD2-NE 3.29Å; D94-R98 IonicContact OD2-NH1 3.06Å; D94-R98 IonicContact OD2-NH2 2.6Å; D94-R98 PolarHBondContact OD2-NH2 3.41Å
95	K	88.8	Confident	90.2	Very high	149 Å²	149	72.2 Å²	72.2	65%	0.648	36%	0.357	S	S	*	.	H	α-helix	trans	-61.4	-38.4	174.5	-175	-178.3	177.9	-174.9	0	112.4	E91 M92 V93 R99	E91-K95 WeakPolarHBondContact O-CB 3.36Å; E91-K95 PolarHBondContact O-N 3.22Å; M92-K95 WeakPolarHBondContact O-CB 3.28Å; M92-K95 PolarHBondContact O-N 3.38Å; V93-K95 VanDerWaalsContact C-N 3.28Å; V93-K95 PolarHBondContact O-N 2.9Å; K95-R99 WeakPolarHBondContact O-CB 3.32Å; K95-R99 PolarHBondContact O-N 2.84Å
96	H	87.1	Confident	89.7	Confident	35 Å²	35	79.5 Å²	79.5	16%	0.162	38%	0.384	C	S	.	.	H	α-helix	trans	-69.5	-42.1	174.5	-77.5	-83	0	0	0	111.7	S13 L17 M92 V93 D94 R99 L100	S13-H96 PolarHBondContact O-CE1 3.4Å; S13-H96 PolarHBondContact O-ND1 3.12Å; L17-H96 HydrophobicContact CD2-CB 3.89Å; M92-H96 PolarHBondContact O-CD2 3.1Å; M92-H96 PolarHBondContact O-N 2.87Å; V93-H96 WeakPolarHBondContact O-CA 3.2Å; V93-H96 WeakPolarHBondContact O-CB 3.22Å; V93-H96 PolarHBondContact O-N 3.33Å; D94-H96 VanDerWaalsContact C-N 3.3Å; D94-H96 PolarHBondContact O-N 3.27Å; H96-R99 PolarHBondContact O-N 3.38Å; H96-L100 WeakPolarHBondContact O-CG 3.24Å; H96-L100 PolarHBondContact O-N 3.02Å
97	I	88.9	Confident	88.9	Confident	74 Å²	74	80.2 Å²	80.2	38%	0.379	38%	0.38	S	S	.	.	H	α-helix	trans	-56.8	-54.6	175.8	-67.2	169	0	0	0	110.3	V93 D94 R99 L100 D101	V93-I97 HydrophobicContact CG1-CD1 3.89Å; V93-I97 HydrophobicContact CG1-CG1 4.33Å; V93-I97 WeakPolarHBondContact O-CG1 3.21Å; V93-I97 PolarHBondContact O-N 2.7Å; D94-I97 PolarHBondContact O-N 2.89Å; I97-R99 PolarHBondContact O-N 3.13Å; I97-R99 VanDerWaalsContact O-N 3.16Å; I97-L100 WeakPolarHBondContact O-CB 3.49Å; I97-L100 PolarHBondContact O-N 2.95Å; I97-D101 WeakPolarHBondContact CG2-OD2 3.5Å; I97-D101 PolarHBondContact O-N 3.48Å
98	R	88.8	Confident	88.5	Confident	161 Å²	161	81.9 Å²	81.9	61%	0.608	39%	0.386	S	S	*	.	H	α-helix	trans	-59	-33.6	-179.8	-68.5	179.5	-168.1	-170.5	8	113.3	D94 A102	D94-R98 WeakPolarHBondContact O-CG 3.37Å; D94-R98 PolarHBondContact O-N 3.33Å; D94-R98 IonicContact OD1-CZ 2.89Å; D94-R98 IonicContact OD1-NE 3.6Å; D94-R98 PolarHBondContact OD1-NE 3.32Å; D94-R98 VanDerWaalsContact OD1-NE 3.12Å; D94-R98 IonicContact OD1-NH2 3.12Å; D94-R98 PolarHBondContact OD1-NH2 2.97Å; D94-R98 IonicContact OD2-CZ 2.68Å; D94-R98 IonicContact OD2-NE 3.02Å; D94-R98 PolarHBondContact OD2-NE 3.29Å; D94-R98 IonicContact OD2-NH1 3.06Å; D94-R98 IonicContact OD2-NH2 2.6Å; D94-R98 PolarHBondContact OD2-NH2 3.41Å; R98-A102 WeakPolarHBondContact O-CB 3.5Å; R98-A102 PolarHBondContact O-N 3.32Å
99	R	86.1	Confident	88.1	Confident	121 Å²	121	81.5 Å²	81.5	46%	0.457	39%	0.388	S	S	.	.	H	α-helix	trans	-69.9	-44.8	176.7	-174.3	166.6	-174.9	164.3	3.7	111.2	S13 K95 H96 I97 A102 D103	S13-R99 VanDerWaalsContact OG-CD 3.25Å; S13-R99 WeakPolarHBondContact OG-CD 3.39Å; S13-R99 PolarHBondContact OG-NE 2.93Å; K95-R99 WeakPolarHBondContact O-CB 3.32Å; K95-R99 PolarHBondContact O-N 2.84Å; H96-R99 PolarHBondContact O-N 3.38Å; I97-R99 PolarHBondContact O-N 3.13Å; I97-R99 VanDerWaalsContact O-N 3.16Å; R99-A102 PolarHBondContact O-N 2.75Å; R99-D103 PolarHBondContact O-N 2.69Å
100	L	85.6	Confident	87.7	Confident	39 Å²	39	84.6 Å²	84.6	20%	0.204	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-42.6	175.3	-67.9	-179.6	0	0	0	111.7	Y10 I14 H96 I97 A102 D103 L104	Y10-L100 HydrophobicContact CD2-CD2 3.56Å; Y10-L100 HydrophobicContact CE2-CD1 4.48Å; Y10-L100 HydrophobicContact CE2-CD2 3.43Å; Y10-L100 VanDerWaalsContact CE2-CD2 3.43Å; I14-L100 HydrophobicContact CD1-CD1 4.11Å; I14-L100 HydrophobicContact CD1-CD2 4.09Å; I14-L100 HydrophobicContact CG1-CD2 4.38Å; H96-L100 WeakPolarHBondContact O-CG 3.24Å; H96-L100 PolarHBondContact O-N 3.02Å; I97-L100 WeakPolarHBondContact O-CB 3.49Å; I97-L100 PolarHBondContact O-N 2.95Å; L100-A102 VanDerWaalsContact C-N 3.35Å; L100-A102 PolarHBondContact O-N 3.21Å; L100-D103 PolarHBondContact O-N 3.34Å; L100-L104 WeakPolarHBondContact O-CB 3.07Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 3.43Å
101	D	87.8	Confident	87.1	Confident	91 Å²	91	85.2 Å²	85.2	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-41.7	176	-66.7	-25.2	0	0	0	112.1	I97 L104 A105	I97-D101 WeakPolarHBondContact CG2-OD2 3.5Å; I97-D101 PolarHBondContact O-N 3.48Å; D101-L104 PolarHBondContact O-N 2.91Å; D101-A105 WeakPolarHBondContact O-CB 3.34Å; D101-A105 PolarHBondContact O-N 2.75Å
102	A	86.4	Confident	86.7	Confident	49 Å²	49	85.6 Å²	85.6	41%	0.405	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-39.2	176.3	0	0	0	0	0	112.2	R98 R99 L100 R106	R98-A102 WeakPolarHBondContact O-CB 3.5Å; R98-A102 PolarHBondContact O-N 3.32Å; R99-A102 PolarHBondContact O-N 2.75Å; L100-A102 VanDerWaalsContact C-N 3.35Å; L100-A102 PolarHBondContact O-N 3.21Å; A102-R106 VanDerWaalsContact O-CG 3.31Å; A102-R106 WeakPolarHBondContact O-CG 3.33Å; A102-R106 PolarHBondContact O-N 3.05Å; A102-R106 VanDerWaalsContact O-N 3.11Å
103	D	83.8	Confident	86.5	Confident	22 Å²	22	90.1 Å²	90.1	12%	0.118	43%	0.433	C	S	.	.	H	α-helix	trans	-68.7	-42.8	176.5	-73.1	-12.7	0	0	0	110.8	H9 R99 L100 R106 F107	H9-D103 IonicContact ND1-OD2 3.74Å; R99-D103 PolarHBondContact O-N 2.69Å; L100-D103 PolarHBondContact O-N 3.34Å; D103-R106 WeakPolarHBondContact O-CB 3.41Å; D103-R106 PolarHBondContact O-N 3.25Å; D103-F107 HydrophobicContact CB-CE2 4.08Å; D103-F107 HydrophobicContact CB-CZ 4.41Å; D103-F107 WeakPolarHBondContact O-CD2 3.36Å; D103-F107 VanDerWaalsContact O-CG 3.23Å; D103-F107 WeakPolarHBondContact O-CG 3.44Å; D103-F107 PolarHBondContact O-N 2.91Å
104	L	84.7	Confident	86	Confident	97 Å²	97	93.9 Å²	93.9	51%	0.508	45%	0.446	S	S	.	.	H	α-helix	trans	-58.4	-48.1	173.3	-74.2	172.8	0	0	0	112	L100 D101 R106 F107 E108	L100-L104 WeakPolarHBondContact O-CB 3.07Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 3.43Å; D101-L104 PolarHBondContact O-N 2.91Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 2.86Å; L104-F107 WeakPolarHBondContact O-CB 3.5Å; L104-F107 PolarHBondContact O-N 3.04Å; L104-E108 WeakPolarHBondContact O-CG 3.47Å; L104-E108 PolarHBondContact O-N 3.16Å
105	A	87.8	Confident	85.5	Confident	45 Å²	45	98 Å²	98	37%	0.372	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-34.9	178.5	0	0	0	0	0	112.6	D101 N109	D101-A105 WeakPolarHBondContact O-CB 3.34Å; D101-A105 PolarHBondContact O-N 2.75Å; A105-N109 PolarHBondContact O-N 2.89Å; A105-N109 PolarHBondContact O-ND2 3.33Å
106	R	85.8	Confident	85.1	Confident	171 Å²	171	97.2 Å²	97.2	65%	0.645	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-43.4	171.8	-74.4	172.6	-176.2	-99.8	1.7	111	A102 D103 L104 N109 E110	A102-R106 VanDerWaalsContact O-CG 3.31Å; A102-R106 WeakPolarHBondContact O-CG 3.33Å; A102-R106 PolarHBondContact O-N 3.05Å; A102-R106 VanDerWaalsContact O-N 3.11Å; D103-R106 WeakPolarHBondContact O-CB 3.41Å; D103-R106 PolarHBondContact O-N 3.25Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 2.86Å; R106-N109 PolarHBondContact O-N 2.96Å; R106-E110 WeakPolarHBondContact O-CG 3.4Å; R106-E110 PolarHBondContact O-N 3.17Å
107	F	81.1	Confident	84.3	Confident	56 Å²	56	101 Å²	101	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-62.4	-43.7	177.6	-63.3	-37.7	0	0	0	112.9	Y6 D103 L104 N109 E110 L111	Y6-F107 HydrophobicContact CD1-CD1 4.25Å; Y6-F107 AromaticContact CD1-CE1 3.26Å; Y6-F107 HydrophobicContact CD1-CE1 3.26Å; Y6-F107 AromaticContact CD1-CZ 3.92Å; Y6-F107 HydrophobicContact CD1-CZ 3.92Å; Y6-F107 HydrophobicContact CD2-CE1 4.37Å; Y6-F107 HydrophobicContact CE1-CD1 4.35Å; Y6-F107 AromaticContact CE1-CE1 3.69Å; Y6-F107 HydrophobicContact CE1-CE1 3.69Å; Y6-F107 AromaticContact CG-CE1 3.64Å; Y6-F107 HydrophobicContact CG-CE1 3.64Å; Y6-F107 HydrophobicContact CG-CZ 4.15Å; D103-F107 HydrophobicContact CB-CE2 4.08Å; D103-F107 HydrophobicContact CB-CZ 4.41Å; D103-F107 WeakPolarHBondContact O-CD2 3.36Å; D103-F107 VanDerWaalsContact O-CG 3.23Å; D103-F107 WeakPolarHBondContact O-CG 3.44Å; D103-F107 PolarHBondContact O-N 2.91Å; L104-F107 WeakPolarHBondContact O-CB 3.5Å; L104-F107 PolarHBondContact O-N 3.04Å; F107-N109 VanDerWaalsContact C-N 3.32Å; F107-N109 PolarHBondContact O-N 3Å; F107-E110 PolarHBondContact O-N 3.23Å; F107-L111 WeakPolarHBondContact O-CB 3.33Å; F107-L111 WeakPolarHBondContact O-CD1 3.46Å; F107-L111 PolarHBondContact O-N 2.86Å
108	E	86.1	Confident	83.2	Confident	142 Å²	142	101.2 Å²	101.2	66%	0.664	50%	0.495	S	S	*	.	H	α-helix	trans	-60	-42.9	176.8	-71.3	-178.3	163.9	0	0	111.7	L104 L111 K112	L104-E108 WeakPolarHBondContact O-CG 3.47Å; L104-E108 PolarHBondContact O-N 3.16Å; E108-L111 PolarHBondContact O-N 3.18Å; E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 PolarHBondContact O-N 3.06Å
109	N	86.1	Confident	81.7	Confident	110 Å²	110	96.4 Å²	96.4	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-65.8	-44.3	177.4	-76.1	-31.6	0	0	0	112.6	A105 R106 F107 L111 K112 E113	A105-N109 PolarHBondContact O-N 2.89Å; A105-N109 PolarHBondContact O-ND2 3.33Å; R106-N109 PolarHBondContact O-N 2.96Å; F107-N109 VanDerWaalsContact C-N 3.32Å; F107-N109 PolarHBondContact O-N 3Å; N109-L111 PolarHBondContact O-N 2.91Å; N109-K112 PolarHBondContact O-N 3.36Å; N109-E113 WeakPolarHBondContact O-CB 3.41Å; N109-E113 PolarHBondContact O-N 2.96Å
110	E	84.6	Confident	80	Confident	72 Å²	72	100 Å²	100	34%	0.336	51%	0.51	S	S	.	.	H	α-helix	trans	-66.3	-35.7	177.8	-73.8	-177.2	-171.5	0	0	112.7	Y6 R106 F107 K114	Y6-E110 PolarHBondContact OH-OE2 2.89Å; R106-E110 WeakPolarHBondContact O-CG 3.4Å; R106-E110 PolarHBondContact O-N 3.17Å; F107-E110 PolarHBondContact O-N 3.23Å; E110-K114 PolarHBondContact O-N 3.15Å
111	L	82.1	Confident	78.1	Confident	129 Å²	129	106.8 Å²	106.8	68%	0.675	54%	0.54	S	S	*	.	H	α-helix	trans	-64.8	-43.5	173	-107	110.4	0	0	0	111.2	F107 E108 N109 K114 L115	F107-L111 WeakPolarHBondContact O-CB 3.33Å; F107-L111 WeakPolarHBondContact O-CD1 3.46Å; F107-L111 PolarHBondContact O-N 2.86Å; E108-L111 PolarHBondContact O-N 3.18Å; N109-L111 PolarHBondContact O-N 2.91Å; L111-K114 PolarHBondContact O-N 2.74Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.07Å
112	K	85.4	Confident	76.3	Confident	125 Å²	125	107.8 Å²	107.8	54%	0.543	56%	0.555	S	S	.	*	H	α-helix	trans	-62.2	-44	177.5	-171.3	175.6	-179.8	-179.5	0	111.3	E108 N109 L115 E116	E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 PolarHBondContact O-N 3.06Å; N109-K112 PolarHBondContact O-N 3.36Å; K112-L115 PolarHBondContact O-N 3.34Å; K112-E116 WeakPolarHBondContact O-CG 3.49Å; K112-E116 PolarHBondContact O-N 3.44Å
113	E	87.1	Confident	74.4	Confident	120 Å²	120	109.9 Å²	109.9	56%	0.561	57%	0.572	S	S	*	*	H	α-helix	trans	-63.4	-43.9	176.8	-173.8	177.3	-169.5	0	0	112.1	N109 L115 E116 L117	N109-E113 WeakPolarHBondContact O-CB 3.41Å; N109-E113 PolarHBondContact O-N 2.96Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 3.44Å; E113-E116 PolarHBondContact O-N 3.17Å; E113-L117 HydrophobicContact CG-CD1 4Å; E113-L117 WeakPolarHBondContact O-CB 3.44Å; E113-L117 PolarHBondContact O-N 3.21Å
114	K	82.1	Confident	72.4	Confident	125 Å²	125	115.6 Å²	115.6	54%	0.543	60%	0.602	S	S	.	*	H	α-helix	trans	-62.9	-36.5	174.1	-84	177.1	-178.9	156.3	0	113	E110 L111 S118	E110-K114 PolarHBondContact O-N 3.15Å; L111-K114 PolarHBondContact O-N 2.74Å; K114-S118 WeakPolarHBondContact O-CB 3.5Å; K114-S118 PolarHBondContact O-N 3.43Å; K114-S118 PolarHBondContact O-OG 3.24Å
115	L	79.5	Confident	70.2	Confident	126 Å²	126	114.4 Å²	114.4	66%	0.66	61%	0.613	S	S	*	*	H	α-helix	trans	-66.6	-42.2	175.4	-171.6	66.5	0	0	0	111.1	L111 K112 E113 S118 G119	L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.07Å; K112-L115 PolarHBondContact O-N 3.34Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 3.44Å; L115-S118 WeakPolarHBondContact CA-OG 3.42Å; L115-S118 PolarHBondContact O-N 3.33Å; L115-S118 PolarHBondContact O-OG 3.05Å; L115-S118 VanDerWaalsContact O-OG 3.04Å; L115-G119 PolarHBondContact O-N 3.18Å
116	E	79.8	Confident	68	Low	132 Å²	132	122.9 Å²	122.9	62%	0.617	64%	0.636	S	S	*	*	H	α-helix	trans	-67	-36.5	176.7	-71.8	179.8	-179.7	0	0	112.4	K112 E113	K112-E116 WeakPolarHBondContact O-CG 3.49Å; K112-E116 PolarHBondContact O-N 3.44Å; E113-E116 PolarHBondContact O-N 3.17Å
117	L	70.8	Confident	65.8	Low	114 Å²	114	118.9 Å²	118.9	60%	0.597	64%	0.639	S	S	*	*	H	α-helix	trans	-70	-38.5	174.2	-88.5	150.9	0	0	0	113.1	E113 G119 Y120	E113-L117 HydrophobicContact CG-CD1 4Å; E113-L117 WeakPolarHBondContact O-CB 3.44Å; E113-L117 PolarHBondContact O-N 3.21Å; L117-G119 VanDerWaalsContact C-N 3.32Å; L117-Y120 PolarHBondContact O-N 2.91Å
118	S	65.4	Low	63.8	Low	79 Å²	79	124 Å²	124	55%	0.552	67%	0.669	S	S	*	*	H	α-helix	trans	-73.8	-22.4	176.8	58.9	0	0	0	0	113.4	K114 L115 Y120	K114-S118 WeakPolarHBondContact O-CB 3.5Å; K114-S118 PolarHBondContact O-N 3.43Å; K114-S118 PolarHBondContact O-OG 3.24Å; L115-S118 WeakPolarHBondContact CA-OG 3.42Å; L115-S118 PolarHBondContact O-N 3.33Å; L115-S118 PolarHBondContact O-OG 3.05Å; L115-S118 VanDerWaalsContact O-OG 3.04Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 PolarHBondContact O-N 3.07Å
119	G	57.7	Low	61.6	Low	59 Å²	59	127.5 Å²	127.5	61%	0.608	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-10.9	172.3	0	0	0	0	0	115.2	L115 L117	L115-G119 PolarHBondContact O-N 3.18Å; L117-G119 VanDerWaalsContact C-N 3.32Å
120	Y	50.4	Low	59.3	Low	198 Å²	198	131.9 Å²	131.9	78%	0.776	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-8.2	-178.8	-162.4	-102.2	0	0	0	114.1	L117 S118 S122	L117-Y120 PolarHBondContact O-N 2.91Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 PolarHBondContact O-N 3.07Å; Y120-S122 VanDerWaalsContact C-N 3.32Å; Y120-S122 PolarHBondContact O-N 3.35Å
121	E	45.3	Very low	56.8	Low	180 Å²	180	133 Å²	133	84%	0.841	71%	0.711	S	S	*	*	S	Bend	trans	-95.5	31.8	174.4	-71.4	-96.3	112.1	0	0	112.1
122	S	49.7	Very low	54.3	Low	113 Å²	113	135.4 Å²	135.4	79%	0.79	72%	0.719	S	S	*	*			trans	-146.6	63.6	165.9	-137.3	0	0	0	0	111.7	Y120	Y120-S122 VanDerWaalsContact C-N 3.32Å; Y120-S122 PolarHBondContact O-N 3.35Å
123	A	46.3	Very low	51.9	Low	92 Å²	92	138.5 Å²	138.5	76%	0.76	74%	0.738	S	S	*	*			trans	-138.1	51.8	165.3	0	0	0	0	0	111.4
124	D	42.8	Very low	49.4	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	75%	0.754	S	S	*	*			trans	-108.6	93.9	142.6	-167.2	41.5	0	0	0	108.1
125	G	37.6	Very low	47	Very low	72 Å²	72	143 Å²	143	74%	0.742	76%	0.762	S	S	*	*			trans	-157.1	72.9	179.9	0	0	0	0	0	108.1	A127	G125-A127 PolarHBondContact O-N 2.83Å
126	R	42.9	Very low	45.1	Very low	222 Å²	222	145 Å²	145	84%	0.838	77%	0.767	S	S	*	*			trans	-59.1	128.5	179.4	-69.2	-179.8	-156.4	-166.9	3.9	111.6
127	A	38.2	Very low	42.9	Very low	87 Å²	87	149.6 Å²	149.6	72%	0.719	78%	0.779	S	S	*	*			trans	74.1	139.4	133	0	0	0	0	0	120.2	G125	G125-A127 PolarHBondContact O-N 2.83Å
128	L	40.8	Very low	41.3	Very low	165 Å²	165	151.9 Å²	151.9	86%	0.864	79%	0.787	S	S	*	*			trans	92.4	92.9	157.9	-53.6	165.5	0	0	0	117.1
129	K	39.2	Very low	40.1	Very low	215 Å²	215	158.1 Å²	158.1	94%	0.935	80%	0.804	S	S	*	*				-162.8	143.6	100.3	-102.9	171.3	-177.6	178.1	0	112.4
130	K	37.9	Very low	39	Very low	202 Å²	202	166.6 Å²	166.6	88%	0.878	82%	0.818	S	S	*	*			trans	-106.1	162.5	-174.3	-173.8	-176.1	-177.2	-179	0	108.6
131	S	31.1	Very low	38.1	Very low	96 Å²	96	160.7 Å²	160.7	67%	0.671	82%	0.817	S	S	*	*			trans	91	134.1	173.8	119.6	0	0	0	0	112.8
132	E	31.3	Very low	37.8	Very low	178 Å²	178	156.8 Å²	156.8	83%	0.832	81%	0.81	S	S	*	*			cis	-157	143.6	2.4	-100.2	149	130.4	0	0	104.4
133	M	33.7	Very low	37.1	Very low	191 Å²	191	163 Å²	163	94%	0.941	82%	0.816	S	S	*	*				-174.9	136.1	94.3	-167.3	174.4	-165.5	0	0	109.1
134	R	35.4	Very low	36.5	Very low	237 Å²	237	161.8 Å²	161.8	89%	0.894	81%	0.813	S	S	*	*			trans	-104	161	-177.1	-174.1	-179.8	-177.2	-172.5	1.6	109.7
135	S	31.3	Very low	36.2	Very low	103 Å²	103	167.5 Å²	167.5	72%	0.72	82%	0.824	S	S	*	*			trans	101.9	123.6	161.6	-134.4	0	0	0	0	112.8
136	Q	38.9	Very low	36	Very low	166 Å²	166	167.9 Å²	167.9	78%	0.776	83%	0.827	S	S	*	*			cis	-155.4	131.6	35.8	-75.9	179.1	20.4	0	0	109.1
137	R	35	Very low	35.7	Very low	229 Å²	229	169.2 Å²	169.2	86%	0.864	83%	0.832	S	S	*	*				99.4	111	93.9	-170.5	176.6	178.7	-176.5	0.7	113.7
138	E	36.5	Very low	35.4	Very low	163 Å²	163	175.4 Å²	175.4	76%	0.762	84%	0.843	S	S	*	*			trans	-34.8	140.5	164.9	-63.7	-97.3	132.7	0	0	116.8
139	K	39.5	Very low	34.9	Very low	210 Å²	210	170.9 Å²	170.9	91%	0.913	84%	0.836	S	S	*	*			trans	-160.3	126	131.3	-112.6	176.4	-177.8	-177.1	0	112.7
140	R	35.9	Very low	34.7	Very low	236 Å²	236	166 Å²	166	89%	0.891	83%	0.829	S	S	*	*			trans	-70.6	153.8	176	-70.8	171.9	158.9	-159	-5.7	113.6
141	G	31.3	Very low	34.4	Very low	74 Å²	74	163.6 Å²	163.6	76%	0.763	83%	0.826	S	S	*	*			trans	170.2	89	156.6	0	0	0	0	0	110.3
142	S	38.5	Very low	34.3	Very low	98 Å²	98	166.4 Å²	166.4	69%	0.685	83%	0.828	S	S	*	*				83.3	117.1	84.7	-158.7	0	0	0	0	114.7
143	R	35.6	Very low	34.2	Very low	243 Å²	243	164 Å²	164	92%	0.917	82%	0.822	S	S	*	*			trans	69.9	135	156.4	-64.5	165.4	173.5	165.6	-2.4	117
144	G	33.7	Very low	34.3	Very low	68 Å²	68	159.6 Å²	159.6	70%	0.701	81%	0.809	S	S	*	*			cis	158.6	157.6	3.2	0	0	0	0	0	109.9
145	R	36.1	Very low	34.6	Very low	263 Å²	263	152.9 Å²	152.9	99%	0.992	80%	0.796	S	S	*	*			trans	58.5	138.2	161	-76.7	175	164.2	164	-5.9	117.5
146	G	33.3	Very low	34.7	Very low	79 Å²	79	158.1 Å²	158.1	81%	0.814	80%	0.8	S	S	*	*			cis	-175.8	144.8	7.7	0	0	0	0	0	108.2
147	R	36.1	Very low	34.2	Very low	251 Å²	251	157.4 Å²	157.4	95%	0.947	80%	0.795	S	S	*	*			trans	-96.4	159.6	175.1	-122.4	175.8	163.9	-166.5	-4.9	108.7
148	K	32	Very low	33.9	Very low	216 Å²	216	154.8 Å²	154.8	94%	0.939	79%	0.789	S	S	*	*			trans	94.3	134.7	157	-147.6	166.8	-174.6	-179.7	0	114.2
149	G	30.1	Very low	33.5	Very low	70 Å²	70	156.4 Å²	156.4	72%	0.722	79%	0.794	S	S	*	*			cis	-177.2	179.8	8.1	0	0	0	0	0	110.7
150	S	34.9	Very low	33.1	Very low	113 Å²	113	156.3 Å²	156.3	79%	0.79	79%	0.793	S	S	*	*			trans	-55.6	179.3	-174.3	-59.3	0	0	0	0	119.3
151	D	31.3	Very low	32.6	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	79%	0.789	S	S	*	*			trans	106.5	133.8	159.1	-73.1	-78	0	0	0	113.2
152	E	29.5	Very low	32.8	Very low	155 Å²	155	151.4 Å²	151.4	72%	0.724	79%	0.79	S	S	*	*			cis	-169.1	166.5	7.3	-135	-93.8	88.3	0	0	108.2
153	D	29.1	Very low	32.8	Very low	129 Å²	129	152.9 Å²	152.9	69%	0.69	80%	0.797	S	S	*	*			trans	71	137.7	149.6	-145.4	-140.5	0	0	0	124.4
154	S	36.8	Very low	32.5	Very low	97 Å²	97	147.7 Å²	147.7	68%	0.678	79%	0.788	S	S	*	*			trans	-79.5	-163.7	174.6	-135.5	0	0	0	0	110.2
155	P	40.8	Very low	32.6	Very low	96 Å²	96	151.2 Å²	151.2	62%	0.623	79%	0.789	S	S	*	*			cis	-142	178.2	-1.4	38.9	-17.7	0	0	0	117.1
156	R	33.4	Very low	32.3	Very low	213 Å²	213	143.2 Å²	143.2	80%	0.804	77%	0.774	S	S	*	*			trans	89.4	125.2	142.7	-85.4	166.5	-170.7	-122.9	-5.1	123.1
157	K	29.5	Very low	32.4	Very low	152 Å²	152	145.8 Å²	145.8	66%	0.661	77%	0.769	S	S	*	*				104.8	119.6	126.1	-83.6	179.5	-180	176.3	0	121.2
158	K	28.5	Very low	32.4	Very low	173 Å²	173	139.8 Å²	139.8	75%	0.752	76%	0.76	S	S	*	*			trans	62.8	137.4	137.7	-52.7	-179.7	174.6	-170.5	0	116.8
159	K	28.7	Very low	33.3	Very low	197 Å²	197	137.6 Å²	137.6	86%	0.857	76%	0.758	S	S	*	*				-169.9	157.8	54.6	-78.1	178.8	173.6	174	0	110.4
160	K	29.7	Very low	33.7	Very low	208 Å²	208	140.8 Å²	140.8	90%	0.904	76%	0.758	S	S	*	*			trans	-63.9	151.4	163.5	-57.6	179	173.5	-174.5	0	111.9
161	A	25.2	Very low	34	Very low	97 Å²	97	141 Å²	141	80%	0.802	76%	0.756	S	S	*	*				171.9	143.8	125.6	0	0	0	0	0	111.3
162	S	35.7	Very low	34.1	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	76%	0.756	S	S	*	*			trans	-63.1	173	165.7	45.4	0	0	0	0	112.6
163	P	37.9	Very low	34.7	Very low	128 Å²	128	140.9 Å²	140.9	83%	0.831	75%	0.753	S	S	*	*				-141.3	158.8	100.7	35.6	-19.9	0	0	0	115.8
164	D	30.6	Very low	35.5	Very low	135 Å²	135	140.5 Å²	140.5	72%	0.722	76%	0.758	S	S	*	*			trans	-71.3	144.8	165.9	-169.6	-95.8	0	0	0	111.1
165	L	35.2	Very low	35.7	Very low	141 Å²	141	139.2 Å²	139.2	74%	0.738	75%	0.749	S	S	*	*				165.5	126.8	119.3	-116.4	99.5	0	0	0	113.1
166	S	30.9	Very low	35.7	Very low	95 Å²	95	140.6 Å²	140.6	66%	0.664	75%	0.751	S	S	*	*			trans	57.3	121.9	132.6	70.4	0	0	0	0	123
167	D	35.4	Very low	36.5	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	75%	0.748	S	S	*	*				73.7	102.5	126.9	-157.6	37.8	0	0	0	119
168	T	35.3	Very low	37.2	Very low	125 Å²	125	136 Å²	136	77%	0.767	75%	0.753	S	S	*	*			trans	-158.8	93.8	139.7	-0.8	0	0	0	0	108.9	L170	T168-L170 PolarHBondContact O-N 3.26Å; T168-L170 VanDerWaalsContact O-N 3.1Å
169	L	50	Low	38.4	Very low	169 Å²	169	135 Å²	135	89%	0.885	76%	0.756	S	S	*	*			trans	-64.5	102.9	163.8	-69.4	170.5	0	0	0	108.9
170	L	39.4	Very low	39.8	Very low	137 Å²	137	130.9 Å²	130.9	72%	0.717	74%	0.741	S	S	*	*			trans	-110	151.1	165.3	-69.4	177	0	0	0	110.1	T168 M172	T168-L170 PolarHBondContact O-N 3.26Å; T168-L170 VanDerWaalsContact O-N 3.1Å; L170-M172 PolarHBondContact O-N 3.25Å
171	P	40.7	Very low	41.2	Very low	117 Å²	117	126.3 Å²	126.3	76%	0.76	73%	0.732	S	S	*	*			trans	-66.7	117.8	-174.7	-8.1	23.6	0	0	0	109.2	Q173	P171-Q173 PolarHBondContact O-N 3.46Å
172	M	34.3	Very low	42.8	Very low	165 Å²	165	126.4 Å²	126.4	81%	0.813	72%	0.723	S	S	*	*			trans	-60.2	112.9	177.7	-59.5	-155.5	85.1	0	0	109.5	L170	L170-M172 PolarHBondContact O-N 3.25Å
173	Q	42.7	Very low	43.9	Very low	139 Å²	139	125.2 Å²	125.2	65%	0.65	71%	0.708	S	S	*	*			trans	-77.2	145.5	165.7	-65.6	-144.7	-73.7	0	0	108.8	P171 S175 D176	P171-Q173 PolarHBondContact O-N 3.46Å; Q173-S175 PolarHBondContact O-N 3.11Å; Q173-D176 PolarHBondContact O-N 2.95Å
174	P	44.6	Very low	45.2	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	3.3	-177.8	25.4	-32.7	0	0	0	114.6
175	S	41.7	Very low	46.8	Very low	70 Å²	70	126 Å²	126	49%	0.49	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	-17.3	179.4	46.4	0	0	0	0	114.6	Q173 V177	Q173-S175 PolarHBondContact O-N 3.11Å; S175-V177 VanDerWaalsContact C-N 3.31Å; S175-V177 PolarHBondContact O-N 2.97Å
176	D	40	Very low	48.6	Very low	124 Å²	124	123 Å²	123	66%	0.663	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	6.7	-171	-65.1	-23.3	0	0	0	114.4	Q173	Q173-D176 PolarHBondContact O-N 2.95Å
177	V	51.2	Low	50.5	Low	124 Å²	124	122 Å²	122	75%	0.752	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-0.7	175.9	-172.5	0	0	0	0	112.1	S175	S175-V177 VanDerWaalsContact C-N 3.31Å; S175-V177 PolarHBondContact O-N 2.97Å
178	L	44.5	Very low	52.7	Low	144 Å²	144	119.5 Å²	119.5	75%	0.754	68%	0.675	S	S	*	*			trans	-118.1	55.1	-176.1	-59.8	180	0	0	0	112.5
179	D	53.5	Low	55	Low	154 Å²	154	116.9 Å²	116.9	82%	0.824	65%	0.652	S	S	*	*			trans	-127.3	53.7	162.5	-159.5	27.7	0	0	0	110.3
180	M	56.4	Low	56.7	Low	110 Å²	110	108.9 Å²	108.9	54%	0.542	61%	0.61	S	S	.	*	S	Bend	trans	-88	127.7	147.9	-75.9	-150.6	-49.7	0	0	107.3	Y90 V182	Y90-M180 HydrophobicContact CD1-SD 4.26Å; Y90-M180 HydrophobicContact CE1-SD 3.48Å; Y90-M180 WeakPolarHBondContact CE1-SD 3.06Å; Y90-M180 HydrophobicContact CE2-CE 3.74Å; Y90-M180 HydrophobicContact CE2-SD 3.8Å; Y90-M180 PolarHBondContact OH-SD 3.28Å; M180-V182 PolarHBondContact O-N 2.88Å
181	P	61.1	Low	58.8	Low	111 Å²	111	105.3 Å²	105.3	72%	0.721	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.3	119.5	174.8	24.6	-31.9	0	0	0	108.1	D183	P181-D183 PolarHBondContact O-N 2.98Å; P181-D183 VanDerWaalsContact O-N 3.16Å
182	V	56.8	Low	60.9	Low	99 Å²	99	101.8 Å²	101.8	60%	0.6	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-51	122.9	169.4	176.7	0	0	0	0	106.9	M180 P184 V195	M180-V182 PolarHBondContact O-N 2.88Å; V182-P184 VanDerWaalsContact O-CD 3.26Å; V182-P184 WeakPolarHBondContact O-CD 3.46Å; V182-P184 VanDerWaalsContact O-N 3.11Å; V182-V195 HydrophobicContact CG1-CG1 3.92Å
183	D	60	Low	63.1	Low	86 Å²	86	99.3 Å²	99.3	46%	0.46	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-53	117.6	179.6	-174.8	-21.3	0	0	0	108.6	P181 N185 E186	P181-D183 PolarHBondContact O-N 2.98Å; P181-D183 VanDerWaalsContact O-N 3.16Å; D183-N185 PolarHBondContact O-N 3.42Å; D183-N185 VanDerWaalsContact OD1-CB 3.32Å; D183-N185 WeakPolarHBondContact OD1-CB 3.29Å; D183-N185 PolarHBondContact OD1-N 2.98Å; D183-E186 HydrophobicContact CB-CB 4.47Å; D183-E186 PolarHBondContact O-N 3.45Å
184	P	65.6	Low	64.7	Low	131 Å²	131	97.5 Å²	97.5	85%	0.851	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-15	179	-25.2	35	0	0	0	114.3	V182	V182-P184 VanDerWaalsContact O-CD 3.26Å; V182-P184 WeakPolarHBondContact O-CD 3.46Å; V182-P184 VanDerWaalsContact O-N 3.11Å
185	N	63.7	Low	66.6	Low	148 Å²	148	93.2 Å²	93.2	79%	0.791	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.7	179.8	-127.4	41.5	0	0	0	113.6	D183 P187	D183-N185 PolarHBondContact O-N 3.42Å; D183-N185 VanDerWaalsContact OD1-CB 3.32Å; D183-N185 WeakPolarHBondContact OD1-CB 3.29Å; D183-N185 PolarHBondContact OD1-N 2.98Å; N185-P187 WeakPolarHBondContact O-CD 3.42Å
186	E	72.5	Confident	68.5	Low	80 Å²	80	92.7 Å²	92.7	37%	0.374	51%	0.514	S	S	.	.	S	Bend	trans	-80.5	117.5	177.9	-165	169.5	-174.4	0	0	111	D183 T188 V195	D183-E186 HydrophobicContact CB-CB 4.47Å; D183-E186 PolarHBondContact O-N 3.45Å; E186-T188 PolarHBondContact O-N 3.34Å; E186-V195 HydrophobicContact CB-CG1 4.02Å; E186-V195 VanDerWaalsContact CD-CB 3.49Å; E186-V195 HydrophobicContact CG-CB 4.11Å; E186-V195 HydrophobicContact CG-CG1 3.7Å; E186-V195 WeakPolarHBondContact OE1-CB 3.23Å; E186-V195 WeakPolarHBondContact OE2-CG1 3.48Å
187	P	70.3	Confident	70.4	Confident	74 Å²	74	91.8 Å²	91.8	48%	0.481	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-63.2	124.8	-179.1	23	-32	0	0	0	111	N185 Y189	N185-P187 WeakPolarHBondContact O-CD 3.42Å; P187-Y189 HydrophobicContact CB-CE1 4.49Å; P187-Y189 HydrophobicContact CB-CE2 4.23Å; P187-Y189 HydrophobicContact CG-CE2 3.98Å; P187-Y189 WeakPolarHBondContact CG-OH 3.48Å; P187-Y189 WeakPolarHBondContact O-CD2 3.31Å; P187-Y189 WeakPolarHBondContact O-CE2 3.43Å
188	T	81.9	Confident	72	Confident	80 Å²	80	89.6 Å²	89.6	49%	0.491	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-80.5	134.7	177.3	59.8	0	0	0	0	111.3	E186 H193	E186-T188 PolarHBondContact O-N 3.34Å; T188-H193 WeakPolarHBondContact CG2-O 3.09Å
189	Y	83.7	Confident	74	Confident	71 Å²	71	88.7 Å²	88.7	28%	0.278	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-117.7	175.3	179.5	-56.8	-76	0	0	0	111.7	P187 H193 Q194 M200 W212	P187-Y189 HydrophobicContact CB-CE1 4.49Å; P187-Y189 HydrophobicContact CB-CE2 4.23Å; P187-Y189 HydrophobicContact CG-CE2 3.98Å; P187-Y189 WeakPolarHBondContact CG-OH 3.48Å; P187-Y189 WeakPolarHBondContact O-CD2 3.31Å; P187-Y189 WeakPolarHBondContact O-CE2 3.43Å; Y189-H193 PolarHBondContact O-N 2.95Å; Y189-Q194 PolarHBondContact N-O 3.01Å; Y189-Q194 PolarHBondContact O-N 3.26Å; Y189-M200 HydrophobicContact CD2-CE 4.24Å; Y189-M200 HydrophobicContact CG-CE 4.07Å; Y189-W212 HydrophobicContact CD1-CB 3.98Å; Y189-W212 HydrophobicContact CD1-CG 4.4Å; Y189-W212 HydrophobicContact CG-CB 4.31Å
190	C	85.5	Confident	75.8	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.007	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	178.4	177.2	-161.6	0	0	0	0	114.4	C192 H193 I210 W212 F213 H214 C217	C190-C192 PolarHBondContact O-N 3.49Å; C190-H193 PolarHBondContact O-N 2.91Å; C190-I210 VanDerWaalsContact N-CG2 3.29Å; C190-W212 VanDerWaalsContact CA-O 3.22Å; C190-W212 WeakPolarHBondContact CA-O 3.5Å; C190-W212 PolarHBondContact N-O 3.24Å; C190-F213 HydrophobicContact CB-CB 4.49Å; C190-F213 HydrophobicContact CB-CD1 4.38Å; C190-H214 PolarHBondContact SG-N 3.05Å; C190-H214 VanDerWaalsContact SG-N 3.38Å; C190-C217 WeakPolarHBondContact SG-CB 3.4Å
191	L	83.8	Confident	77.3	Confident	61 Å²	61	79.4 Å²	79.4	32%	0.319	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.3	175.5	-59.7	165	0	0	0	112.3	H193 I210 F213	L191-H193 VanDerWaalsContact C-N 3.32Å; L191-I210 HydrophobicContact CD2-CD1 4.1Å; L191-F213 HydrophobicContact CD1-CE1 4.43Å; L191-F213 HydrophobicContact CD2-CE1 4.08Å; L191-F213 HydrophobicContact CG-CD1 4.07Å; L191-F213 HydrophobicContact CG-CE1 3.81Å
192	C	85.2	Confident	78.7	Confident	43 Å²	43	75.2 Å²	75.2	29%	0.291	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7	178.6	61.5	0	0	0	0	113.3	C190 Q194 H214	C190-C192 PolarHBondContact O-N 3.49Å; C192-Q194 HydrophobicContact CB-CG 4.03Å; C192-Q194 PolarHBondContact O-N 2.93Å; C192-Q194 PolarHBondContact O-NE2 3.42Å; C192-H214 PolarHBondContact SG-ND1 3.03Å; C192-H214 VanDerWaalsContact SG-ND1 3.36Å
193	H	80	Confident	80.2	Confident	114 Å²	114	71.2 Å²	71.2	53%	0.528	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	41.3	-176.3	-63.2	-84.5	0	0	0	112.1	T188 Y189 C190 L191	T188-H193 WeakPolarHBondContact CG2-O 3.09Å; Y189-H193 PolarHBondContact O-N 2.95Å; C190-H193 PolarHBondContact O-N 2.91Å; L191-H193 VanDerWaalsContact C-N 3.32Å
194	Q	77.3	Confident	81.5	Confident	101 Å²	101	71.1 Å²	71.1	47%	0.472	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-108.9	162.6	176.8	-64.5	-60.6	-64	0	0	109	Y189 C192 Y197	Y189-Q194 PolarHBondContact N-O 3.01Å; Y189-Q194 PolarHBondContact O-N 3.26Å; C192-Q194 HydrophobicContact CB-CG 4.03Å; C192-Q194 PolarHBondContact O-N 2.93Å; C192-Q194 PolarHBondContact O-NE2 3.42Å; Q194-Y197 HydrophobicContact CB-CD1 4.36Å; Q194-Y197 HydrophobicContact CB-CE1 3.92Å; Q194-Y197 HydrophobicContact CG-CE1 4.48Å
195	V	84.4	Confident	82.3	Confident	32 Å²	32	66.8 Å²	66.8	19%	0.194	37%	0.37	C	S	.	.			trans	-57.8	164.4	171.2	-58.5	0	0	0	0	111.3	V182 E186 Y197 H214	V182-V195 HydrophobicContact CG1-CG1 3.92Å; E186-V195 HydrophobicContact CB-CG1 4.02Å; E186-V195 VanDerWaalsContact CD-CB 3.49Å; E186-V195 HydrophobicContact CG-CB 4.11Å; E186-V195 HydrophobicContact CG-CG1 3.7Å; E186-V195 WeakPolarHBondContact OE1-CB 3.23Å; E186-V195 WeakPolarHBondContact OE2-CG1 3.48Å; V195-Y197 VanDerWaalsContact O-CD1 3.28Å; V195-Y197 WeakPolarHBondContact O-CD1 3.02Å; V195-Y197 PolarHBondContact O-N 3.28Å; V195-H214 PolarHBondContact O-CE1 3.29Å; V195-H214 PolarHBondContact O-NE2 3.04Å; V195-H214 VanDerWaalsContact O-NE2 3.11Å
196	S	80.3	Confident	83	Confident	58 Å²	58	65 Å²	65	41%	0.406	37%	0.367	S	S	.	.			trans	-66.3	119.1	175.9	50.9	0	0	0	0	110.9	M200	S196-M200 WeakPolarHBondContact CB-SD 3.3Å
197	Y	81.1	Confident	83.4	Confident	106 Å²	106	67.8 Å²	67.8	42%	0.416	39%	0.385	S	S	.	.			trans	-137.4	143.6	174.3	67.4	-95.8	0	0	0	112.9	Q194 V195 H214 C217	Q194-Y197 HydrophobicContact CB-CD1 4.36Å; Q194-Y197 HydrophobicContact CB-CE1 3.92Å; Q194-Y197 HydrophobicContact CG-CE1 4.48Å; V195-Y197 VanDerWaalsContact O-CD1 3.28Å; V195-Y197 WeakPolarHBondContact O-CD1 3.02Å; V195-Y197 PolarHBondContact O-N 3.28Å; Y197-H214 AromaticContact CD1-CD2 3.92Å; Y197-H214 AromaticContact CD1-CE1 3.45Å; Y197-H214 VanDerWaalsContact CD1-CE1 3.45Å; Y197-H214 WeakPolarHBondContact CD1-CE1 3.43Å; Y197-H214 AromaticContact CD1-ND1 3.96Å; Y197-H214 AromaticContact CD1-NE2 3.45Å; Y197-H214 WeakPolarHBondContact CD1-NE2 3.49Å; Y197-H214 AromaticContact CE1-CD2 3.94Å; Y197-H214 AromaticContact CE1-CE1 3.16Å; Y197-H214 WeakPolarHBondContact CE1-CE1 3.46Å; Y197-H214 AromaticContact CE1-CG 3.77Å; Y197-H214 AromaticContact CE1-ND1 3.28Å; Y197-H214 VanDerWaalsContact CE1-ND1 3.28Å; Y197-H214 WeakPolarHBondContact CE1-ND1 3.5Å; Y197-H214 AromaticContact CE1-NE2 3.62Å; Y197-H214 HydrophobicContact CE2-CB 4.33Å; Y197-H214 AromaticContact CG-NE2 3.94Å; Y197-H214 AromaticContact CZ-CE1 3.84Å; Y197-H214 AromaticContact CZ-CG 3.64Å; Y197-H214 AromaticContact CZ-ND1 3.47Å; Y197-H214 PolarHBondContact N-NE2 3.43Å; Y197-H214 VanDerWaalsContact N-NE2 3.16Å; Y197-H214 PolarHBondContact O-CD2 3.31Å; Y197-C217 PolarHBondContact OH-SG 2.83Å
198	G	84.8	Confident	84	Confident	78 Å²	78	64.5 Å²	64.5	80%	0.804	36%	0.363	S	S	*	.	S	Bend	trans	63.2	-146.1	177.4	0	0	0	0	0	114
199	E	87	Confident	83.8	Confident	125 Å²	125	66.1 Å²	66.1	58%	0.584	38%	0.375	S	S	*	.	S	Bend	trans	-81.2	130.1	177.3	-63.9	-172.7	136.1	0	0	111.3	F215	E199-F215 HydrophobicContact CB-CB 4.22Å; E199-F215 HydrophobicContact CB-CD1 3.79Å; E199-F215 HydrophobicContact CB-CD2 3.75Å; E199-F215 HydrophobicContact CB-CE1 3.97Å; E199-F215 HydrophobicContact CB-CE2 3.93Å; E199-F215 HydrophobicContact CB-CG 3.67Å; E199-F215 HydrophobicContact CB-CZ 4.03Å; E199-F215 WeakPolarHBondContact O-CD1 3.36Å; E199-F215 PolarHBondContact O-N 3.11Å; E199-F215 WeakPolarHBondContact OE2-CD2 3.41Å; E199-F215 WeakPolarHBondContact OE2-CE2 3.48Å
200	M	89.4	Confident	83.7	Confident	50 Å²	50	64.1 Å²	64.1	25%	0.246	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	147	-179.1	-63.5	-174.7	83.8	0	0	112.1	Y189 S196 W212 F213	Y189-M200 HydrophobicContact CD2-CE 4.24Å; Y189-M200 HydrophobicContact CG-CE 4.07Å; S196-M200 WeakPolarHBondContact CB-SD 3.3Å; M200-W212 HydrophobicContact CB-CE3 4.46Å; M200-W212 HydrophobicContact CE-CB 3.84Å; M200-F213 CarbonylContact C-O 3.58Å; M200-F213 VanDerWaalsContact CA-O 3.28Å; M200-F213 WeakPolarHBondContact CA-O 3.5Å
201	I	88.7	Confident	83.9	Confident	18 Å²	18	69.1 Å²	69.1	9%	0.092	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.5	176	-169.4	160.5	0	0	0	111.1	W212 F213 F215 V218 L220 P224 W228	I201-W212 WeakPolarHBondContact O-CA 3.48Å; I201-F213 HydrophobicContact CG2-CB 4.2Å; I201-F213 PolarHBondContact N-O 3.03Å; I201-F213 PolarHBondContact O-N 3.47Å; I201-F215 HydrophobicContact CB-CD1 4.28Å; I201-F215 HydrophobicContact CB-CE1 3.85Å; I201-F215 HydrophobicContact CG2-CD1 4.46Å; I201-F215 HydrophobicContact CG2-CE1 4.5Å; I201-V218 HydrophobicContact CG2-CG2 4.06Å; I201-L220 HydrophobicContact CB-CD1 4.3Å; I201-L220 HydrophobicContact CD1-CD1 3.58Å; I201-L220 HydrophobicContact CG2-CD1 3.78Å; I201-P224 HydrophobicContact CD1-CG 3.35Å; I201-W228 HydrophobicContact CB-CE3 4.36Å; I201-W228 HydrophobicContact CD1-CB 3.58Å; I201-W228 HydrophobicContact CD1-CD2 3.53Å; I201-W228 HydrophobicContact CD1-CE3 3.88Å; I201-W228 HydrophobicContact CD1-CG 3.39Å; I201-W228 HydrophobicContact CG1-CB 4.29Å; I201-W228 HydrophobicContact CG1-CD2 3.92Å; I201-W228 HydrophobicContact CG1-CE3 3.7Å; I201-W228 HydrophobicContact CG1-CG 4.19Å; I201-W228 HydrophobicContact CG1-CZ3 4.31Å; I201-W228 HydrophobicContact CG2-CD2 4.14Å; I201-W228 HydrophobicContact CG2-CE3 3.81Å; I201-W228 HydrophobicContact CG2-CH2 3.71Å; I201-W228 HydrophobicContact CG2-CZ2 4.06Å; I201-W228 HydrophobicContact CG2-CZ3 3.58Å
202	G	90	Very high	84.1	Confident	24 Å²	24	71.9 Å²	71.9	25%	0.247	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.8	172.9	0	0	0	0	0	111.5	E211	G202-E211 CarbonylContact C-O 3.44Å; G202-E211 VanDerWaalsContact CA-O 3.24Å; G202-E211 WeakPolarHBondContact CA-O 3.4Å
203	C	89.3	Confident	84.4	Confident	15 Å²	15	69.9 Å²	69.9	10%	0.101	39%	0.385	C	S	.	.			trans	-77.8	124.5	170.3	-173.4	0	0	0	0	109.5	N205 C208 E211 F213 W228 C230	C203-N205 PolarHBondContact O-N 3.5Å; C203-C208 HydrophobicContact CB-CB 4.16Å; C203-E211 PolarHBondContact N-O 3.49Å; C203-F213 HydrophobicContact CB-CE2 4.01Å; C203-W228 HydrophobicContact CB-CZ3 4.28Å; C203-C230 HydrophobicContact CB-CB 4.34Å; C203-C230 PolarHBondContact SG-N 3.43Å
204	D	87.3	Confident	84.8	Confident	83 Å²	83	64.5 Å²	64.5	44%	0.444	36%	0.36	S	S	.	.	S	Bend	trans	-73.3	6.4	179.1	-75.4	-69.8	0	0	0	114.3	P206 K227 W228 F229	D204-P206 WeakPolarHBondContact O-CD 3.26Å; D204-K227 HydrophobicContact CB-CB 4.24Å; D204-K227 WeakPolarHBondContact OD2-CA 3.47Å; D204-K227 WeakPolarHBondContact OD2-CB 3.25Å; D204-W228 PolarHBondContact N-O 3.04Å; D204-W228 PolarHBondContact OD2-N 3.26Å; D204-F229 HydrophobicContact CB-CD1 4.39Å; D204-F229 HydrophobicContact CB-CE1 3.86Å; D204-F229 HydrophobicContact CB-CZ 4.06Å
205	N	82.4	Confident	85.4	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.214	34%	0.342	C	S	.	.			trans	-89.1	115.6	174.4	-172.7	48	0	0	0	109.8	C203 D207 C208 F229 C233	C203-N205 PolarHBondContact O-N 3.5Å; N205-D207 PolarHBondContact O-N 3.36Å; N205-C208 HydrophobicContact CB-CB 4.33Å; N205-C208 WeakPolarHBondContact O-CB 3.39Å; N205-C208 PolarHBondContact O-N 3.01Å; N205-F229 HydrophobicContact CB-CD1 4.02Å; N205-F229 HydrophobicContact CB-CE1 4.21Å; N205-C233 HydrophobicContact CB-CB 4.07Å; N205-C233 PolarHBondContact ND2-SG 2.95Å
206	P	78.6	Confident	85.4	Confident	112 Å²	112	62.8 Å²	62.8	73%	0.727	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.3	-178	27.5	-35.3	0	0	0	113.5	D204 C208	D204-P206 WeakPolarHBondContact O-CD 3.26Å; P206-C208 VanDerWaalsContact C-N 3.34Å
207	D	79.9	Confident	85.6	Confident	138 Å²	138	62.1 Å²	62.1	74%	0.738	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	18.3	175.6	-57.6	-50.4	0	0	0	112.7	N205	N205-D207 PolarHBondContact O-N 3.36Å
208	C	82.4	Confident	85.8	Confident	5 Å²	5	58 Å²	58	3%	0.034	34%	0.344	C	S	.	.			trans	-82.1	123.4	179.4	-165.1	0	0	0	0	110.8	C203 N205 P206 I210 E211 C230 C233	C203-C208 HydrophobicContact CB-CB 4.16Å; N205-C208 HydrophobicContact CB-CB 4.33Å; N205-C208 WeakPolarHBondContact O-CB 3.39Å; N205-C208 PolarHBondContact O-N 3.01Å; P206-C208 VanDerWaalsContact C-N 3.34Å; C208-I210 VanDerWaalsContact C-N 3.31Å; C208-I210 PolarHBondContact O-N 2.99Å; C208-E211 WeakPolarHBondContact O-CG 3.4Å; C208-C230 VanDerWaalsContact SG-SG 3.69Å; C208-C233 VanDerWaalsContact SG-SG 3.64Å
209	P	79.4	Confident	85.8	Confident	114 Å²	114	61.7 Å²	61.7	74%	0.74	35%	0.345	S	S	*	.	S	Bend	trans	-74	-16	-176.4	27.3	-34.8	0	0	0	115
210	I	81.8	Confident	85.5	Confident	29 Å²	29	57.5 Å²	57.5	15%	0.149	33%	0.326	C	S	.	.	S	Bend	trans	-107	-30.2	-176	-62.7	172.4	0	0	0	111.2	C190 L191 C208 W212 F213	C190-I210 VanDerWaalsContact N-CG2 3.29Å; L191-I210 HydrophobicContact CD2-CD1 4.1Å; C208-I210 VanDerWaalsContact C-N 3.31Å; C208-I210 PolarHBondContact O-N 2.99Å; I210-W212 WeakPolarHBondContact CG2-O 3.39Å; I210-W212 PolarHBondContact O-N 2.6Å; I210-F213 HydrophobicContact CB-CE1 4.22Å; I210-F213 HydrophobicContact CB-CE2 4.33Å; I210-F213 HydrophobicContact CB-CZ 3.72Å; I210-F213 HydrophobicContact CD1-CE1 4.27Å; I210-F213 HydrophobicContact CD1-CZ 4.39Å; I210-F213 HydrophobicContact CG2-CD1 4.46Å; I210-F213 HydrophobicContact CG2-CE1 3.87Å; I210-F213 HydrophobicContact CG2-CE2 4.22Å; I210-F213 HydrophobicContact CG2-CZ 3.73Å
211	E	87.9	Confident	85	Confident	105 Å²	105	59.4 Å²	59.4	49%	0.491	35%	0.35	S	S	.	.			trans	59.3	-40.5	178.9	-56.7	-176.2	174.4	0	0	116.3	G202 C203 C208	G202-E211 CarbonylContact C-O 3.44Å; G202-E211 VanDerWaalsContact CA-O 3.24Å; G202-E211 WeakPolarHBondContact CA-O 3.4Å; C203-E211 PolarHBondContact N-O 3.49Å; C208-E211 WeakPolarHBondContact O-CG 3.4Å
212	W	89.5	Confident	84.6	Confident	119 Å²	119	63.7 Å²	63.7	45%	0.451	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.7	-171.1	-64.3	95.6	0	0	0	113	Y189 C190 M200 I201 I210	Y189-W212 HydrophobicContact CD1-CB 3.98Å; Y189-W212 HydrophobicContact CD1-CG 4.4Å; Y189-W212 HydrophobicContact CG-CB 4.31Å; C190-W212 VanDerWaalsContact CA-O 3.22Å; C190-W212 WeakPolarHBondContact CA-O 3.5Å; C190-W212 PolarHBondContact N-O 3.24Å; M200-W212 HydrophobicContact CB-CE3 4.46Å; M200-W212 HydrophobicContact CE-CB 3.84Å; I201-W212 WeakPolarHBondContact O-CA 3.48Å; I210-W212 WeakPolarHBondContact CG2-O 3.39Å; I210-W212 PolarHBondContact O-N 2.6Å
213	F	90.3	Very high	84.4	Confident	1 Å²	1	70.9 Å²	70.9	0%	0.004	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.6	-175.7	-59.2	-97.1	0	0	0	112	C190 L191 M200 I201 C203 I210 V218 W228 C230	C190-F213 HydrophobicContact CB-CB 4.49Å; C190-F213 HydrophobicContact CB-CD1 4.38Å; L191-F213 HydrophobicContact CD1-CE1 4.43Å; L191-F213 HydrophobicContact CD2-CE1 4.08Å; L191-F213 HydrophobicContact CG-CD1 4.07Å; L191-F213 HydrophobicContact CG-CE1 3.81Å; M200-F213 CarbonylContact C-O 3.58Å; M200-F213 VanDerWaalsContact CA-O 3.28Å; M200-F213 WeakPolarHBondContact CA-O 3.5Å; I201-F213 HydrophobicContact CG2-CB 4.2Å; I201-F213 PolarHBondContact N-O 3.03Å; I201-F213 PolarHBondContact O-N 3.47Å; C203-F213 HydrophobicContact CB-CE2 4.01Å; I210-F213 HydrophobicContact CB-CE1 4.22Å; I210-F213 HydrophobicContact CB-CE2 4.33Å; I210-F213 HydrophobicContact CB-CZ 3.72Å; I210-F213 HydrophobicContact CD1-CE1 4.27Å; I210-F213 HydrophobicContact CD1-CZ 4.39Å; I210-F213 HydrophobicContact CG2-CD1 4.46Å; I210-F213 HydrophobicContact CG2-CE1 3.87Å; I210-F213 HydrophobicContact CG2-CE2 4.22Å; I210-F213 HydrophobicContact CG2-CZ 3.73Å; F213-V218 HydrophobicContact CB-CG1 3.77Å; F213-V218 HydrophobicContact CB-CG2 4.43Å; F213-V218 HydrophobicContact CD1-CG1 4.1Å; F213-V218 HydrophobicContact CG-CG1 4.17Å; F213-W228 HydrophobicContact CB-CH2 4.08Å; F213-W228 HydrophobicContact CB-CZ3 4.47Å; F213-W228 AromaticContact CD2-CH2 3.93Å; F213-W228 HydrophobicContact CD2-CH2 3.93Å; F213-W228 AromaticContact CD2-CZ3 3.79Å; F213-W228 HydrophobicContact CD2-CZ3 3.79Å; F213-W228 HydrophobicContact CE2-CZ3 4.45Å; F213-W228 HydrophobicContact CG-CH2 4.03Å; F213-W228 HydrophobicContact CG-CZ3 4.33Å; F213-C230 HydrophobicContact CD1-CB 4.47Å; F213-C230 HydrophobicContact CD2-CB 4.02Å; F213-C230 HydrophobicContact CE1-CB 3.97Å; F213-C230 HydrophobicContact CE2-CB 3.47Å; F213-C230 VanDerWaalsContact CE2-CB 3.47Å; F213-C230 HydrophobicContact CZ-CB 3.43Å; F213-C230 VanDerWaalsContact CZ-CB 3.43Å
214	H	90.1	Very high	83.9	Confident	1 Å²	1	72 Å²	72	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	139.5	173.7	-56	117.9	0	0	0	111.2	C190 C192 V195 Y197 A216 C217 V218	C190-H214 PolarHBondContact SG-N 3.05Å; C190-H214 VanDerWaalsContact SG-N 3.38Å; C192-H214 PolarHBondContact SG-ND1 3.03Å; C192-H214 VanDerWaalsContact SG-ND1 3.36Å; V195-H214 PolarHBondContact O-CE1 3.29Å; V195-H214 PolarHBondContact O-NE2 3.04Å; V195-H214 VanDerWaalsContact O-NE2 3.11Å; Y197-H214 AromaticContact CD1-CD2 3.92Å; Y197-H214 AromaticContact CD1-CE1 3.45Å; Y197-H214 VanDerWaalsContact CD1-CE1 3.45Å; Y197-H214 WeakPolarHBondContact CD1-CE1 3.43Å; Y197-H214 AromaticContact CD1-ND1 3.96Å; Y197-H214 AromaticContact CD1-NE2 3.45Å; Y197-H214 WeakPolarHBondContact CD1-NE2 3.49Å; Y197-H214 AromaticContact CE1-CD2 3.94Å; Y197-H214 AromaticContact CE1-CE1 3.16Å; Y197-H214 WeakPolarHBondContact CE1-CE1 3.46Å; Y197-H214 AromaticContact CE1-CG 3.77Å; Y197-H214 AromaticContact CE1-ND1 3.28Å; Y197-H214 VanDerWaalsContact CE1-ND1 3.28Å; Y197-H214 WeakPolarHBondContact CE1-ND1 3.5Å; Y197-H214 AromaticContact CE1-NE2 3.62Å; Y197-H214 HydrophobicContact CE2-CB 4.33Å; Y197-H214 AromaticContact CG-NE2 3.94Å; Y197-H214 AromaticContact CZ-CE1 3.84Å; Y197-H214 AromaticContact CZ-CG 3.64Å; Y197-H214 AromaticContact CZ-ND1 3.47Å; Y197-H214 PolarHBondContact N-NE2 3.43Å; Y197-H214 VanDerWaalsContact N-NE2 3.16Å; Y197-H214 PolarHBondContact O-CD2 3.31Å; H214-A216 VanDerWaalsContact C-N 3.28Å; H214-A216 PolarHBondContact O-N 2.9Å; H214-C217 HydrophobicContact CB-CB 4.07Å; H214-C217 PolarHBondContact O-N 3.25Å; H214-V218 WeakPolarHBondContact O-CG2 3.47Å; H214-V218 PolarHBondContact O-N 3.44Å
215	F	89.1	Confident	83.3	Confident	20 Å²	20	78.5 Å²	78.5	9%	0.088	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-51.4	-47.1	177.1	-90.3	41.8	0	0	0	112.4	E199 I201 C217 V218 D219 L220 K223	E199-F215 HydrophobicContact CB-CB 4.22Å; E199-F215 HydrophobicContact CB-CD1 3.79Å; E199-F215 HydrophobicContact CB-CD2 3.75Å; E199-F215 HydrophobicContact CB-CE1 3.97Å; E199-F215 HydrophobicContact CB-CE2 3.93Å; E199-F215 HydrophobicContact CB-CG 3.67Å; E199-F215 HydrophobicContact CB-CZ 4.03Å; E199-F215 WeakPolarHBondContact O-CD1 3.36Å; E199-F215 PolarHBondContact O-N 3.11Å; E199-F215 WeakPolarHBondContact OE2-CD2 3.41Å; E199-F215 WeakPolarHBondContact OE2-CE2 3.48Å; I201-F215 HydrophobicContact CB-CD1 4.28Å; I201-F215 HydrophobicContact CB-CE1 3.85Å; I201-F215 HydrophobicContact CG2-CD1 4.46Å; I201-F215 HydrophobicContact CG2-CE1 4.5Å; F215-C217 VanDerWaalsContact C-N 3.29Å; F215-C217 PolarHBondContact O-N 2.84Å; F215-V218 CarbonylContact O-C 3.53Å; F215-V218 PolarHBondContact O-N 3.4Å; F215-D219 PolarHBondContact O-N 3.06Å; F215-L220 CarbonylContact C-O 3.53Å; F215-L220 HydrophobicContact CB-CB 4.35Å; F215-L220 VanDerWaalsContact CB-O 3.27Å; F215-L220 WeakPolarHBondContact CB-O 3.34Å; F215-L220 HydrophobicContact CD2-CB 4.15Å; F215-L220 WeakPolarHBondContact CD2-O 3.24Å; F215-L220 HydrophobicContact CG-CB 4.06Å; F215-L220 PolarHBondContact O-N 3.43Å; F215-K223 HydrophobicContact CZ-CB 4.4Å
216	A	84.7	Confident	83.3	Confident	78 Å²	78	79.6 Å²	79.6	65%	0.645	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-64.9	-27.7	177.6	0	0	0	0	0	114	H214	H214-A216 VanDerWaalsContact C-N 3.28Å; H214-A216 PolarHBondContact O-N 2.9Å
217	C	84.9	Confident	83.5	Confident	43 Å²	43	82.4 Å²	82.4	29%	0.291	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-83.9	-14.1	179.4	-66.1	0	0	0	0	113.3	C190 Y197 H214 F215	C190-C217 WeakPolarHBondContact SG-CB 3.4Å; Y197-C217 PolarHBondContact OH-SG 2.83Å; H214-C217 HydrophobicContact CB-CB 4.07Å; H214-C217 PolarHBondContact O-N 3.25Å; F215-C217 VanDerWaalsContact C-N 3.29Å; F215-C217 PolarHBondContact O-N 2.84Å
218	V	85.4	Confident	83.9	Confident	21 Å²	21	77.5 Å²	77.5	13%	0.127	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	20	178.7	-60.5	0	0	0	0	112.5	I201 F213 H214 F215 L220 W228	I201-V218 HydrophobicContact CG2-CG2 4.06Å; F213-V218 HydrophobicContact CB-CG1 3.77Å; F213-V218 HydrophobicContact CB-CG2 4.43Å; F213-V218 HydrophobicContact CD1-CG1 4.1Å; F213-V218 HydrophobicContact CG-CG1 4.17Å; H214-V218 WeakPolarHBondContact O-CG2 3.47Å; H214-V218 PolarHBondContact O-N 3.44Å; F215-V218 CarbonylContact O-C 3.53Å; F215-V218 PolarHBondContact O-N 3.4Å; V218-L220 HydrophobicContact CG2-CB 4.35Å; V218-L220 HydrophobicContact CG2-CD1 3.68Å; V218-L220 HydrophobicContact CG2-CG 3.87Å; V218-L220 PolarHBondContact O-N 2.96Å; V218-W228 HydrophobicContact CB-CH2 4.24Å; V218-W228 HydrophobicContact CB-CZ2 3.83Å; V218-W228 HydrophobicContact CG1-CH2 3.99Å; V218-W228 HydrophobicContact CG1-CZ2 4.07Å; V218-W228 HydrophobicContact CG2-CH2 4.05Å; V218-W228 HydrophobicContact CG2-CZ2 3.69Å
219	D	83.6	Confident	84.1	Confident	155 Å²	155	79.5 Å²	79.5	83%	0.829	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	37	177.5	-58.8	-47.7	0	0	0	114.3	F215	F215-D219 PolarHBondContact O-N 3.06Å
220	L	81.1	Confident	84.5	Confident	36 Å²	36	74.1 Å²	74.1	19%	0.188	40%	0.399	C	S	.	.			trans	-97.2	126.9	172.5	-69	174.4	0	0	0	109.9	I201 F215 V218 P224 W228	I201-L220 HydrophobicContact CB-CD1 4.3Å; I201-L220 HydrophobicContact CD1-CD1 3.58Å; I201-L220 HydrophobicContact CG2-CD1 3.78Å; F215-L220 CarbonylContact C-O 3.53Å; F215-L220 HydrophobicContact CB-CB 4.35Å; F215-L220 VanDerWaalsContact CB-O 3.27Å; F215-L220 WeakPolarHBondContact CB-O 3.34Å; F215-L220 HydrophobicContact CD2-CB 4.15Å; F215-L220 WeakPolarHBondContact CD2-O 3.24Å; F215-L220 HydrophobicContact CG-CB 4.06Å; F215-L220 PolarHBondContact O-N 3.43Å; V218-L220 HydrophobicContact CG2-CB 4.35Å; V218-L220 HydrophobicContact CG2-CD1 3.68Å; V218-L220 HydrophobicContact CG2-CG 3.87Å; V218-L220 PolarHBondContact O-N 2.96Å; L220-P224 HydrophobicContact CD1-CG 4.47Å; L220-W228 HydrophobicContact CD1-CZ2 4.23Å
221	A	78.6	Confident	84.6	Confident	90 Å²	90	75.5 Å²	75.5	74%	0.744	41%	0.41	S	S	*	.	S	Bend	trans	-99.8	-19.1	173.3	0	0	0	0	0	113
222	T	81.3	Confident	84.3	Confident	108 Å²	108	76.8 Å²	76.8	66%	0.663	41%	0.41	S	S	*	.	S	Bend	trans	-146.7	154	179.2	56.2	0	0	0	0	110.1	P224	T222-P224 WeakPolarHBondContact O-CD 2.83Å; T222-P224 VanDerWaalsContact O-N 3.16Å
223	K	84	Confident	84.1	Confident	176 Å²	176	71.3 Å²	71.3	77%	0.765	39%	0.391	S	S	*	.			trans	-57.5	117.1	177.3	-176.8	174.8	-178.5	172.8	0	110.5	F215	F215-K223 HydrophobicContact CZ-CB 4.4Å
224	P	80.6	Confident	83.7	Confident	39 Å²	39	74 Å²	74	25%	0.253	41%	0.407	S	S	.	.			trans	-65.8	144.3	177.5	26.3	-31.9	0	0	0	110.5	I201 L220 T222 G226 W228	I201-P224 HydrophobicContact CD1-CG 3.35Å; L220-P224 HydrophobicContact CD1-CG 4.47Å; T222-P224 WeakPolarHBondContact O-CD 2.83Å; T222-P224 VanDerWaalsContact O-N 3.16Å; P224-G226 PolarHBondContact O-N 2.91Å; P224-W228 HydrophobicContact CG-CB 4.02Å; P224-W228 HydrophobicContact CG-CG 4.14Å
225	K	73.8	Confident	83.1	Confident	218 Å²	218	79.6 Å²	79.6	95%	0.948	43%	0.433	S	S	*	.	S	Bend	trans	-85.1	108.1	175.4	-66	-176.1	-178.9	-180	0	109.2
226	G	82.2	Confident	82.5	Confident	64 Å²	64	83.6 Å²	83.6	66%	0.66	46%	0.456	S	S	*	.	S	Bend	trans	114.3	-161	176.9	0	0	0	0	0	113	P224	P224-G226 PolarHBondContact O-N 2.91Å
227	K	83.1	Confident	81.9	Confident	170 Å²	170	87.3 Å²	87.3	74%	0.739	45%	0.453	S	S	*	.			trans	-74.9	130.9	-177.4	-63.2	-174.5	179.7	-172.8	0	111.3	D204 F229	D204-K227 HydrophobicContact CB-CB 4.24Å; D204-K227 WeakPolarHBondContact OD2-CA 3.47Å; D204-K227 WeakPolarHBondContact OD2-CB 3.25Å; K227-F229 HydrophobicContact CB-CE2 3.99Å; K227-F229 HydrophobicContact CB-CZ 4.29Å
228	W	88.3	Confident	81	Confident	35 Å²	35	93.6 Å²	93.6	13%	0.133	48%	0.475	C	S	.	.			trans	-117.1	140.8	177.3	-177.3	88.5	0	0	0	111.2	I201 C203 D204 F213 V218 L220 P224 C230	I201-W228 HydrophobicContact CB-CE3 4.36Å; I201-W228 HydrophobicContact CD1-CB 3.58Å; I201-W228 HydrophobicContact CD1-CD2 3.53Å; I201-W228 HydrophobicContact CD1-CE3 3.88Å; I201-W228 HydrophobicContact CD1-CG 3.39Å; I201-W228 HydrophobicContact CG1-CB 4.29Å; I201-W228 HydrophobicContact CG1-CD2 3.92Å; I201-W228 HydrophobicContact CG1-CE3 3.7Å; I201-W228 HydrophobicContact CG1-CG 4.19Å; I201-W228 HydrophobicContact CG1-CZ3 4.31Å; I201-W228 HydrophobicContact CG2-CD2 4.14Å; I201-W228 HydrophobicContact CG2-CE3 3.81Å; I201-W228 HydrophobicContact CG2-CH2 3.71Å; I201-W228 HydrophobicContact CG2-CZ2 4.06Å; I201-W228 HydrophobicContact CG2-CZ3 3.58Å; C203-W228 HydrophobicContact CB-CZ3 4.28Å; D204-W228 PolarHBondContact N-O 3.04Å; D204-W228 PolarHBondContact OD2-N 3.26Å; F213-W228 HydrophobicContact CB-CH2 4.08Å; F213-W228 HydrophobicContact CB-CZ3 4.47Å; F213-W228 AromaticContact CD2-CH2 3.93Å; F213-W228 HydrophobicContact CD2-CH2 3.93Å; F213-W228 AromaticContact CD2-CZ3 3.79Å; F213-W228 HydrophobicContact CD2-CZ3 3.79Å; F213-W228 HydrophobicContact CE2-CZ3 4.45Å; F213-W228 HydrophobicContact CG-CH2 4.03Å; F213-W228 HydrophobicContact CG-CZ3 4.33Å; V218-W228 HydrophobicContact CB-CH2 4.24Å; V218-W228 HydrophobicContact CB-CZ2 3.83Å; V218-W228 HydrophobicContact CG1-CH2 3.99Å; V218-W228 HydrophobicContact CG1-CZ2 4.07Å; V218-W228 HydrophobicContact CG2-CH2 4.05Å; V218-W228 HydrophobicContact CG2-CZ2 3.69Å; L220-W228 HydrophobicContact CD1-CZ2 4.23Å; P224-W228 HydrophobicContact CG-CB 4.02Å; P224-W228 HydrophobicContact CG-CG 4.14Å; W228-C230 HydrophobicContact CH2-CB 3.82Å; W228-C230 HydrophobicContact CZ3-CB 4Å
229	F	86.6	Confident	79.8	Confident	48 Å²	48	101 Å²	101	21%	0.211	51%	0.506	C	S	.	.			trans	-127.6	138.3	-179.2	-62.2	-81.6	0	0	0	109.5	D204 N205 K227 C233 T234	D204-F229 HydrophobicContact CB-CD1 4.39Å; D204-F229 HydrophobicContact CB-CE1 3.86Å; D204-F229 HydrophobicContact CB-CZ 4.06Å; N205-F229 HydrophobicContact CB-CD1 4.02Å; N205-F229 HydrophobicContact CB-CE1 4.21Å; K227-F229 HydrophobicContact CB-CE2 3.99Å; K227-F229 HydrophobicContact CB-CZ 4.29Å; F229-C233 HydrophobicContact CB-CB 4.43Å; F229-T234 PolarHBondContact O-OG1 3.46Å
230	C	87.3	Confident	78.2	Confident	0 Å²	0	105.2 Å²	105.2	0%	0	52%	0.517	C	S	.	.			trans	-66.9	163	178.4	74.5	0	0	0	0	111.8	C203 C208 F213 W228 R232 C233 T234	C203-C230 HydrophobicContact CB-CB 4.34Å; C203-C230 PolarHBondContact SG-N 3.43Å; C208-C230 VanDerWaalsContact SG-SG 3.69Å; F213-C230 HydrophobicContact CD1-CB 4.47Å; F213-C230 HydrophobicContact CD2-CB 4.02Å; F213-C230 HydrophobicContact CE1-CB 3.97Å; F213-C230 HydrophobicContact CE2-CB 3.47Å; F213-C230 VanDerWaalsContact CE2-CB 3.47Å; F213-C230 HydrophobicContact CZ-CB 3.43Å; F213-C230 VanDerWaalsContact CZ-CB 3.43Å; W228-C230 HydrophobicContact CH2-CB 3.82Å; W228-C230 HydrophobicContact CZ3-CB 4Å; C230-R232 PolarHBondContact O-N 2.95Å; C230-R232 VanDerWaalsContact O-N 3.15Å; C230-C233 PolarHBondContact O-N 3.34Å; C230-C233 PolarHBondContact SG-N 3.47Å; C230-C233 VanDerWaalsContact SG-N 3.44Å; C230-C233 PolarHBondContact SG-SG 3.42Å; C230-T234 WeakPolarHBondContact O-CB 3.13Å; C230-T234 PolarHBondContact O-N 3.01Å; C230-T234 PolarHBondContact O-OG1 2.94Å
231	P	83.5	Confident	78	Confident	59 Å²	59	108.7 Å²	108.7	38%	0.383	53%	0.533	S	S	.	.	H	α-helix	trans	-56.4	-32.4	-179.4	-27.3	35.1	0	0	0	113.9	Q235	P231-Q235 VanDerWaalsContact O-CG 3.27Å; P231-Q235 WeakPolarHBondContact O-CG 3.3Å; P231-Q235 PolarHBondContact O-N 3.23Å
232	R	82.4	Confident	78	Confident	131 Å²	131	109.7 Å²	109.7	49%	0.494	52%	0.522	S	S	.	.	H	α-helix	trans	-68.6	-54.8	176	-65.7	-173.7	-179.2	179.4	2.8	111.3	C230 T234 Q235 D236	C230-R232 PolarHBondContact O-N 2.95Å; C230-R232 VanDerWaalsContact O-N 3.15Å; R232-T234 VanDerWaalsContact C-N 3.25Å; R232-T234 PolarHBondContact O-N 3.4Å; R232-Q235 PolarHBondContact O-N 3.39Å; R232-Q235 VanDerWaalsContact O-N 3.08Å; R232-D236 PolarHBondContact O-N 3.17Å
233	C	84.5	Confident	77.8	Confident	5 Å²	5	109.8 Å²	109.8	3%	0.034	51%	0.514	C	S	.	.	H	α-helix	trans	-63.6	-30.4	179.1	-65	0	0	0	0	113	N205 C208 F229 C230 R237	N205-C233 HydrophobicContact CB-CB 4.07Å; N205-C233 PolarHBondContact ND2-SG 2.95Å; C208-C233 VanDerWaalsContact SG-SG 3.64Å; F229-C233 HydrophobicContact CB-CB 4.43Å; C230-C233 PolarHBondContact O-N 3.34Å; C230-C233 PolarHBondContact SG-N 3.47Å; C230-C233 VanDerWaalsContact SG-N 3.44Å; C230-C233 PolarHBondContact SG-SG 3.42Å; C233-R237 VanDerWaalsContact O-CG 3.28Å; C233-R237 WeakPolarHBondContact O-CG 3.42Å; C233-R237 PolarHBondContact O-N 2.99Å
234	T	82.6	Confident	77.4	Confident	58 Å²	58	105.9 Å²	105.9	36%	0.356	50%	0.5	S	S	.	.	H	α-helix	trans	-69.1	-36.5	175.1	-57.9	0	0	0	0	112	F229 C230 R232 K238	F229-T234 PolarHBondContact O-OG1 3.46Å; C230-T234 WeakPolarHBondContact O-CB 3.13Å; C230-T234 PolarHBondContact O-N 3.01Å; C230-T234 PolarHBondContact O-OG1 2.94Å; R232-T234 VanDerWaalsContact C-N 3.25Å; R232-T234 PolarHBondContact O-N 3.4Å; T234-K238 PolarHBondContact O-N 3.08Å
235	Q	78.7	Confident	77.2	Confident	118 Å²	118	110.1 Å²	110.1	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-72	-40.8	176.1	-73.2	176.5	29.7	0	0	112.1	P231 R232 R237 K238 K239	P231-Q235 VanDerWaalsContact O-CG 3.27Å; P231-Q235 WeakPolarHBondContact O-CG 3.3Å; P231-Q235 PolarHBondContact O-N 3.23Å; R232-Q235 PolarHBondContact O-N 3.39Å; R232-Q235 VanDerWaalsContact O-N 3.08Å; Q235-R237 VanDerWaalsContact C-N 3.3Å; Q235-R237 PolarHBondContact O-N 3.22Å; Q235-K238 PolarHBondContact O-N 3.37Å; Q235-K238 VanDerWaalsContact O-N 3.1Å; Q235-K239 PolarHBondContact O-N 3.4Å
236	D	75.7	Confident	77.5	Confident	104 Å²	104	102.9 Å²	102.9	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-64.5	-35.2	179.4	-67.9	-34.7	0	0	0	112.3	R232 K238 K239	R232-D236 PolarHBondContact O-N 3.17Å; D236-K238 VanDerWaalsContact C-N 3.32Å; D236-K238 PolarHBondContact O-N 3.46Å; D236-K239 PolarHBondContact O-N 3.24Å
237	R	72.1	Confident	77.1	Confident	156 Å²	156	105.6 Å²	105.6	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-73.1	-19.6	174.4	-67.6	-177.4	81.1	-159.3	2.3	114	C233 Q235	C233-R237 VanDerWaalsContact O-CG 3.28Å; C233-R237 WeakPolarHBondContact O-CG 3.42Å; C233-R237 PolarHBondContact O-N 2.99Å; Q235-R237 VanDerWaalsContact C-N 3.3Å; Q235-R237 PolarHBondContact O-N 3.22Å
238	K	65.6	Low	76.7	Confident	174 Å²	174	100.7 Å²	100.7	76%	0.757	45%	0.453	S	S	*	.	H	α-helix	trans	-87.6	-17.5	176.1	-78.3	-177.9	179	-178.5	0	113.4	T234 Q235 D236	T234-K238 PolarHBondContact O-N 3.08Å; Q235-K238 PolarHBondContact O-N 3.37Å; Q235-K238 VanDerWaalsContact O-N 3.1Å; D236-K238 VanDerWaalsContact C-N 3.32Å; D236-K238 PolarHBondContact O-N 3.46Å
239	K	59.5	Low	75.7	Confident	177 Å²	177	106.2 Å²	106.2	77%	0.77	48%	0.48	S	S	*	.			trans	-91.2	-0.4	178	-75.5	-178.5	177.7	175.8	0	113.6	Q235 D236	Q235-K239 PolarHBondContact O-N 3.4Å; D236-K239 PolarHBondContact O-N 3.24Å
240	K	50	Low	74.7	Confident	244 Å²	244	111.5 Å²	111.5	100%	1.061	51%	0.505	S	S	*	.			trans	-118.6	0	-177.1	-159	173.7	-175.2	178.1	0	109.5

Retrieved 240 of 240 residues in 182.9 ms (Link to these results)

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